smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126736444 533794999 /nfs/dbraw/zinc/79/49/99/533794999.db2.gz XRFBZEXXOXQQKZ-SKDRFNHKSA-N -1 3 298.795 2.679 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2cccc(F)c2C#N)c1 ZINC000427643387 534203858 /nfs/dbraw/zinc/20/38/58/534203858.db2.gz ZIHACKAILGEIOG-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM COc1cc(CNc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[O-] ZINC000132850885 522493115 /nfs/dbraw/zinc/49/31/15/522493115.db2.gz MRJMCLHJPQLLAD-UHFFFAOYSA-N -1 3 299.286 2.793 20 30 CFEDHM Cc1cc(C(=O)NCc2cc(C#N)ccc2F)ccc1[O-] ZINC000336354660 524103765 /nfs/dbraw/zinc/10/37/65/524103765.db2.gz YIJHLMGUZTXKEY-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM N#Cc1ccc(C(=O)[N-]c2cc(F)cc(F)c2F)o1 ZINC000312008370 526601354 /nfs/dbraw/zinc/60/13/54/526601354.db2.gz VXCDNUFSSVJEED-UHFFFAOYSA-N -1 3 266.178 2.821 20 30 CFEDHM N#Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000236617009 526621226 /nfs/dbraw/zinc/62/12/26/526621226.db2.gz IQABCIMDPZCBIY-UHFFFAOYSA-N -1 3 286.718 2.847 20 30 CFEDHM Cc1nsc(NCc2ccc([O-])c(F)c2)c1C#N ZINC000360982349 526715273 /nfs/dbraw/zinc/71/52/73/526715273.db2.gz AWZOMIFXXPSFCS-UHFFFAOYSA-N -1 3 263.297 2.780 20 30 CFEDHM N#Cc1ccnc(Sc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000167499362 526763867 /nfs/dbraw/zinc/76/38/67/526763867.db2.gz UQFAOPMVMFTDDS-UHFFFAOYSA-N -1 3 273.273 2.718 20 30 CFEDHM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1ccccn1 ZINC000344731777 526852794 /nfs/dbraw/zinc/85/27/94/526852794.db2.gz HEPCGTJGEKZXNL-JTQLQIEISA-N -1 3 268.320 2.592 20 30 CFEDHM C=CC1CCN(C(=O)c2ccc3[n-]c(OCC)nc3c2)CC1 ZINC000332606088 526975946 /nfs/dbraw/zinc/97/59/46/526975946.db2.gz JJXYYVOMFLTGCT-UHFFFAOYSA-N -1 3 299.374 3.000 20 30 CFEDHM C=CC1CCN(C(=O)c2ccc3nc(OCC)[n-]c3c2)CC1 ZINC000332606088 526975954 /nfs/dbraw/zinc/97/59/54/526975954.db2.gz JJXYYVOMFLTGCT-UHFFFAOYSA-N -1 3 299.374 3.000 20 30 CFEDHM CC(C)Oc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000347772503 528103889 /nfs/dbraw/zinc/10/38/89/528103889.db2.gz BYRSQWSDMSCCLX-ZDUSSCGKSA-N -1 3 281.315 2.754 20 30 CFEDHM CCCn1c(SCc2ccc(F)c(C#N)c2)n[n-]c1=O ZINC000158120323 528821559 /nfs/dbraw/zinc/82/15/59/528821559.db2.gz HVJHDORLJCJAQC-UHFFFAOYSA-N -1 3 292.339 2.697 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)c1 ZINC000744029974 574049667 /nfs/dbraw/zinc/04/96/67/574049667.db2.gz YQYNAIOQPJYZRG-WBTMPAOCSA-N -1 3 268.316 2.609 20 30 CFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744031145 574049790 /nfs/dbraw/zinc/04/97/90/574049790.db2.gz RONAWINWSUTPRV-ASCRHOAZSA-N -1 3 298.342 2.699 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000753885354 574052999 /nfs/dbraw/zinc/05/29/99/574052999.db2.gz NTLVPVDZINXHRX-OVSYPZHTSA-N -1 3 287.359 2.777 20 30 CFEDHM CC(=NNC(=S)NCC1CCC1)c1cc(F)ccc1[O-] ZINC000727653083 574059220 /nfs/dbraw/zinc/05/92/20/574059220.db2.gz CVRZIFCHVUEELV-UHFFFAOYSA-N -1 3 295.383 2.520 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000753996416 574062328 /nfs/dbraw/zinc/06/23/28/574062328.db2.gz UCUBPKLIMFLNLN-AWKDBPLYSA-N -1 3 276.380 2.832 20 30 CFEDHM C=C(C)COC(=O)c1cccc(Br)c1[O-] ZINC000730364897 574077475 /nfs/dbraw/zinc/07/74/75/574077475.db2.gz KOCIPVPEBSSAIZ-UHFFFAOYSA-N -1 3 271.110 2.888 20 30 CFEDHM CCOc1ccc(/C=N/[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000730951437 574104284 /nfs/dbraw/zinc/10/42/84/574104284.db2.gz NESYYDGYMGVKIP-JDAJCMJVSA-N -1 3 293.363 2.940 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cc(F)cc(F)c2)n1 ZINC000728781331 574108771 /nfs/dbraw/zinc/10/87/71/574108771.db2.gz RFHNAJTXKAFQQS-UHFFFAOYSA-N -1 3 263.247 2.820 20 30 CFEDHM Cc1ccc([O-])c(CN=Nc2oc(C(C)(C)C)nc2C#N)n1 ZINC000728781302 574108783 /nfs/dbraw/zinc/10/87/83/574108783.db2.gz QPLGVGNQLNFZOO-UHFFFAOYSA-N -1 3 299.334 2.699 20 30 CFEDHM N#CCc1ccccc1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000754711491 574115369 /nfs/dbraw/zinc/11/53/69/574115369.db2.gz DABRCBINXMVSTC-UHFFFAOYSA-N -1 3 298.317 2.682 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/Cc2ccc(F)cc2F)c1O ZINC000745624949 574120676 /nfs/dbraw/zinc/12/06/76/574120676.db2.gz QBVJUICFXYKZEN-REZTVBANSA-N -1 3 279.242 2.701 20 30 CFEDHM CN(C)C(=S)NN=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000731560766 574123729 /nfs/dbraw/zinc/12/37/29/574123729.db2.gz AIOZPKSLMSNHTQ-UHFFFAOYSA-N -1 3 299.399 2.829 20 30 CFEDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(C#N)cc1 ZINC000731869123 574132852 /nfs/dbraw/zinc/13/28/52/574132852.db2.gz MDAZPDMFODHNKM-SECBINFHSA-N -1 3 272.329 2.816 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737452030 574142255 /nfs/dbraw/zinc/14/22/55/574142255.db2.gz VXUXAZSUMOIWHQ-MRXNPFEDSA-N -1 3 298.317 2.955 20 30 CFEDHM C[C@H](/N=C\c1ccccc1[O-])C(=O)Nc1ccccc1 ZINC000732529116 574160282 /nfs/dbraw/zinc/16/02/82/574160282.db2.gz PSBRXDOJIHELMQ-UEMWTREESA-N -1 3 268.316 2.838 20 30 CFEDHM [O-]c1ccc(CN=Nc2nncc3ccccc32)cc1F ZINC000755489999 574165545 /nfs/dbraw/zinc/16/55/45/574165545.db2.gz CYAQYWOEADZFEV-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM C#CCCCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000755493908 574166089 /nfs/dbraw/zinc/16/60/89/574166089.db2.gz RHXUYCJJMQOPGD-UHFFFAOYSA-N -1 3 271.360 2.804 20 30 CFEDHM [O-]c1ccc(CN=Nc2nccc3sccc32)nc1 ZINC000755651519 574175261 /nfs/dbraw/zinc/17/52/61/574175261.db2.gz VQPGUUJVWMPHJA-UHFFFAOYSA-N -1 3 270.317 2.843 20 30 CFEDHM O=C(OCC#Cc1ccccc1Cl)c1cncc([O-])c1 ZINC000747055295 574177183 /nfs/dbraw/zinc/17/71/83/574177183.db2.gz SLKWDTXHKJDYKY-UHFFFAOYSA-N -1 3 287.702 2.649 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C/C=C\c2ccccc2)c1[O-] ZINC000732925977 574178436 /nfs/dbraw/zinc/17/84/36/574178436.db2.gz IOARQBKILITOBQ-ILFKIQBMSA-N -1 3 282.343 2.720 20 30 CFEDHM C[C@H](NC(=S)NN=Cc1c([O-])cccc1Cl)C1CC1 ZINC000755766972 574185742 /nfs/dbraw/zinc/18/57/42/574185742.db2.gz HPRPSMSAJPYTEC-QMMMGPOBSA-N -1 3 297.811 2.642 20 30 CFEDHM O=[N+]([O-])c1cccnc1N=NCc1c([O-])cccc1Cl ZINC000755769895 574186194 /nfs/dbraw/zinc/18/61/94/574186194.db2.gz QIGNWFFKPRNNCZ-UHFFFAOYSA-N -1 3 292.682 2.795 20 30 CFEDHM [O-]c1ccc(Cl)cc1CN=Nc1nccnc1Cl ZINC000733079007 574186531 /nfs/dbraw/zinc/18/65/31/574186531.db2.gz PZNAOTPJZPFWJF-UHFFFAOYSA-N -1 3 283.118 2.935 20 30 CFEDHM COc1cccc([O-])c1C=NNc1cc(C)ccn1 ZINC000755901632 574195580 /nfs/dbraw/zinc/19/55/80/574195580.db2.gz GWSJPEUPTKGKOX-UHFFFAOYSA-N -1 3 257.293 2.550 20 30 CFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCc3ccccc3C2)cc1 ZINC000739107569 574198864 /nfs/dbraw/zinc/19/88/64/574198864.db2.gz XTHNLSUUFXCROM-KRWDZBQOSA-N -1 3 292.338 2.742 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cc(F)c(F)c(F)c2)n1 ZINC000747641691 574204644 /nfs/dbraw/zinc/20/46/44/574204644.db2.gz DLURKLTUKBAGAG-UHFFFAOYSA-N -1 3 281.237 2.959 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1ncccc1C ZINC000729641391 574225643 /nfs/dbraw/zinc/22/56/43/574225643.db2.gz GXQHNCBCDSWHPB-SXGWCWSVSA-N -1 3 256.305 2.723 20 30 CFEDHM C=CCCCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000748296593 574245572 /nfs/dbraw/zinc/24/55/72/574245572.db2.gz PGTMUQUOZHYKDD-UHFFFAOYSA-N -1 3 262.338 2.828 20 30 CFEDHM COc1cc(C(=O)/C=C\c2nccs2)ccc1[O-] ZINC000730085294 574251604 /nfs/dbraw/zinc/25/16/04/574251604.db2.gz NPWYUWNAUVPZHN-PLNGDYQASA-N -1 3 261.302 2.753 20 30 CFEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1sccc1C ZINC000733746815 574254804 /nfs/dbraw/zinc/25/48/04/574254804.db2.gz CVJFXFLRFAQRTK-UHFFFAOYSA-N -1 3 272.337 2.559 20 30 CFEDHM Cc1noc(C)c1[C@H](C)/N=C\c1ccc(O)c([O-])c1O ZINC000733750141 574255338 /nfs/dbraw/zinc/25/53/38/574255338.db2.gz NTCZJQNWIWGSHV-VQIYEXGWSA-N -1 3 276.292 2.588 20 30 CFEDHM COc1ccc(C=NNc2ccnc3ccccc32)c([O-])c1 ZINC000730146124 574255528 /nfs/dbraw/zinc/25/55/28/574255528.db2.gz HAZVBNZCJLEFDD-UHFFFAOYSA-N -1 3 293.326 2.817 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@](C)(O)c1ccccc1 ZINC000733904212 574261143 /nfs/dbraw/zinc/26/11/43/574261143.db2.gz XIJFGROHQCPVEJ-LVSMMTLPSA-N -1 3 285.343 2.727 20 30 CFEDHM CCOc1ccc(/C=N\CCOc2cccnc2)c([O-])c1 ZINC000733903229 574261148 /nfs/dbraw/zinc/26/11/48/574261148.db2.gz IYFBZICNEIOBKJ-WQRHYEAKSA-N -1 3 286.331 2.684 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@H]1CCCS1 ZINC000756772790 574261799 /nfs/dbraw/zinc/26/17/99/574261799.db2.gz UBVCYVZROGMVLN-GMROUXNLSA-N -1 3 251.351 2.715 20 30 CFEDHM Cc1cc([O-])c(C=Nn2c(C)cc(C)c(C#N)c2=O)cc1C ZINC000741759772 574301076 /nfs/dbraw/zinc/30/10/76/574301076.db2.gz PBMALEVBNBOVSN-UHFFFAOYSA-N -1 3 295.342 2.541 20 30 CFEDHM Cc1nn(C)c(C)c1C[C@@H](C)/N=C\c1ccccc1[O-] ZINC000741758942 574301169 /nfs/dbraw/zinc/30/11/69/574301169.db2.gz USABZWOVQLYQNG-VBYYMIJXSA-N -1 3 271.364 2.793 20 30 CFEDHM CCCCCC[C@@H](C)NN=Cc1c([O-])c(C)ncc1CO ZINC000743449796 574306187 /nfs/dbraw/zinc/30/61/87/574306187.db2.gz BKMRXJLEEKIMMY-GFCCVEGCSA-N -1 3 293.411 2.870 20 30 CFEDHM C=CCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735409686 574323831 /nfs/dbraw/zinc/32/38/31/574323831.db2.gz IRPLLBPXBIHKJL-GFCCVEGCSA-N -1 3 299.378 2.742 20 30 CFEDHM C=CCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735409686 574323832 /nfs/dbraw/zinc/32/38/32/574323832.db2.gz IRPLLBPXBIHKJL-GFCCVEGCSA-N -1 3 299.378 2.742 20 30 CFEDHM C=CCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000735416419 574324927 /nfs/dbraw/zinc/32/49/27/574324927.db2.gz JMLBJDDEGZZJEG-UHFFFAOYSA-N -1 3 287.392 2.809 20 30 CFEDHM C=CCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000735416419 574324930 /nfs/dbraw/zinc/32/49/30/574324930.db2.gz JMLBJDDEGZZJEG-UHFFFAOYSA-N -1 3 287.392 2.809 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739052663 574329045 /nfs/dbraw/zinc/32/90/45/574329045.db2.gz HTYGZFGWMAAHKI-SWLSCSKDSA-N -1 3 287.363 2.693 20 30 CFEDHM N#Cc1ccc(F)cc1COC(=O)c1ccc(F)cc1[O-] ZINC000750168366 574329258 /nfs/dbraw/zinc/32/92/58/574329258.db2.gz HQCRTYALELDKKG-UHFFFAOYSA-N -1 3 289.237 2.899 20 30 CFEDHM C=CC[C@@H](NC(=O)c1ccccc1[O-])c1ccncc1 ZINC000750197168 574330371 /nfs/dbraw/zinc/33/03/71/574330371.db2.gz YIQWATQFGQABPR-CQSZACIVSA-N -1 3 268.316 2.834 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1ccccc1-c1nnn[n-]1 ZINC000735603163 574330807 /nfs/dbraw/zinc/33/08/07/574330807.db2.gz YQCYNXVMQLVZDX-UHFFFAOYSA-N -1 3 298.394 2.628 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1ccccc1-c1nn[n-]n1 ZINC000735603163 574330809 /nfs/dbraw/zinc/33/08/09/574330809.db2.gz YQCYNXVMQLVZDX-UHFFFAOYSA-N -1 3 298.394 2.628 20 30 CFEDHM COc1cccc(NN=Cc2ccc(O)cc2[O-])c1 ZINC000725853678 574332402 /nfs/dbraw/zinc/33/24/02/574332402.db2.gz RGEBISMNMWCPPC-UHFFFAOYSA-N -1 3 258.277 2.552 20 30 CFEDHM CCOc1ccc(/C=N\C[C@@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000743043911 574352493 /nfs/dbraw/zinc/35/24/93/574352493.db2.gz BWYYZUULUHZAHX-HJPCULJESA-N -1 3 293.363 2.798 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\CC(C2CC2)C2CC2)c1O ZINC000743044196 574352519 /nfs/dbraw/zinc/35/25/19/574352519.db2.gz GTQDMOXCVMKYQC-APSNUPSMSA-N -1 3 261.321 2.659 20 30 CFEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000736246167 574357526 /nfs/dbraw/zinc/35/75/26/574357526.db2.gz OJTSRKQPLPHSSR-UHFFFAOYSA-N -1 3 263.646 2.786 20 30 CFEDHM COc1ccc(C#N)cc1NC(=O)c1cc2occc2[n-]1 ZINC000750854971 574358400 /nfs/dbraw/zinc/35/84/00/574358400.db2.gz XWSKWMMJJGFZTP-UHFFFAOYSA-N -1 3 281.271 2.893 20 30 CFEDHM CC(C)(C)SCCN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736286467 574359775 /nfs/dbraw/zinc/35/97/75/574359775.db2.gz HVBBEEPBRJQXER-CYBMUJFWSA-N -1 3 292.404 2.805 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1cccc(O)c1[O-] ZINC000750939030 574364068 /nfs/dbraw/zinc/36/40/68/574364068.db2.gz SYMXCGIEKWKLFD-UHFFFAOYSA-N -1 3 260.268 2.991 20 30 CFEDHM COc1cccc([O-])c1/C=N/CC(C)(C)SC ZINC000743503031 574367497 /nfs/dbraw/zinc/36/74/97/574367497.db2.gz ORMHZDXQLJJXGS-RIYZIHGNSA-N -1 3 253.367 2.961 20 30 CFEDHM C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(C#N)[n-]1 ZINC000752481592 574391829 /nfs/dbraw/zinc/39/18/29/574391829.db2.gz CXZUXAWXFBAYJZ-MRVPVSSYSA-N -1 3 298.273 2.935 20 30 CFEDHM N#Cc1ccc(C(=O)OCc2ccc3ncccc3c2)[n-]1 ZINC000752494807 574391974 /nfs/dbraw/zinc/39/19/74/574391974.db2.gz WGLQXACIOQTJPK-UHFFFAOYSA-N -1 3 277.283 2.792 20 30 CFEDHM CCOc1ccc(/C=N/[C@H](CC(=O)OC)C2CC2)c([O-])c1 ZINC000753563007 574404635 /nfs/dbraw/zinc/40/46/35/574404635.db2.gz HEBMPJLEOZZOTK-NGWPFTMJSA-N -1 3 291.347 2.552 20 30 CFEDHM COC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000753565328 574404707 /nfs/dbraw/zinc/40/47/07/574404707.db2.gz ZNQUULNHDXLGMW-GGNJANJASA-N -1 3 281.739 2.806 20 30 CFEDHM Cc1c(NCc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822122957 607257040 /nfs/dbraw/zinc/25/70/40/607257040.db2.gz RZWYEWDUZKOYOA-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(NCc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822122957 607257041 /nfs/dbraw/zinc/25/70/41/607257041.db2.gz RZWYEWDUZKOYOA-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C1CCC1 ZINC000900094162 620637337 /nfs/dbraw/zinc/63/73/37/620637337.db2.gz HWVBPMQIYJWQNR-JTQLQIEISA-N -1 3 251.301 2.980 20 30 CFEDHM Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822259142 607462317 /nfs/dbraw/zinc/46/23/17/607462317.db2.gz NPRIHTXWPFNYOO-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822259142 607462319 /nfs/dbraw/zinc/46/23/19/607462319.db2.gz NPRIHTXWPFNYOO-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C=CCN(CC1CCCCC1)c1ncccc1-c1nnn[n-]1 ZINC000819739798 607467844 /nfs/dbraw/zinc/46/78/44/607467844.db2.gz IDJPPJYFCHGZJM-UHFFFAOYSA-N -1 3 298.394 2.834 20 30 CFEDHM C=CCN(CC1CCCCC1)c1ncccc1-c1nn[n-]n1 ZINC000819739798 607467845 /nfs/dbraw/zinc/46/78/45/607467845.db2.gz IDJPPJYFCHGZJM-UHFFFAOYSA-N -1 3 298.394 2.834 20 30 CFEDHM C#CCN(C/C=C(\C)C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000825614711 601049748 /nfs/dbraw/zinc/04/97/48/601049748.db2.gz VXZVSBOPDNRVAH-ISBHARSQSA-N -1 3 269.344 2.640 20 30 CFEDHM C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H]1C ZINC000833613119 604611002 /nfs/dbraw/zinc/61/10/02/604611002.db2.gz DJAXQUPBHKJOCL-RYUDHWBXSA-N -1 3 272.348 2.877 20 30 CFEDHM C[C@@H]1CC[C@@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833602378 604613836 /nfs/dbraw/zinc/61/38/36/604613836.db2.gz IKKCXFAAHPIPKR-GHMZBOCLSA-N -1 3 258.321 2.629 20 30 CFEDHM C#CCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833365563 605065707 /nfs/dbraw/zinc/06/57/07/605065707.db2.gz UKSAWXCOHCPJSZ-LLVKDONJSA-N -1 3 272.131 2.732 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)o1 ZINC000822224884 606303754 /nfs/dbraw/zinc/30/37/54/606303754.db2.gz DRCQJEJFLDXYIM-ARJAWSKDSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)o1 ZINC000822224884 606303756 /nfs/dbraw/zinc/30/37/56/606303756.db2.gz DRCQJEJFLDXYIM-ARJAWSKDSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822258868 606367902 /nfs/dbraw/zinc/36/79/02/606367902.db2.gz FVKSFSUJONMWRN-UHFFFAOYSA-N -1 3 284.348 2.683 20 30 CFEDHM Fc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822795751 606369205 /nfs/dbraw/zinc/36/92/05/606369205.db2.gz GQLPOWHJVJLOTA-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000822930032 606387857 /nfs/dbraw/zinc/38/78/57/606387857.db2.gz XRIXZPDTWOMYRY-SOFGYWHQSA-N -1 3 282.328 2.824 20 30 CFEDHM C=CCOc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1 ZINC000819759325 606431822 /nfs/dbraw/zinc/43/18/22/606431822.db2.gz UJVQVDMHPGXXOX-UHFFFAOYSA-N -1 3 295.302 2.619 20 30 CFEDHM C=CCSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819758591 606627805 /nfs/dbraw/zinc/62/78/05/606627805.db2.gz AHNYALQRYAFWNA-UHFFFAOYSA-N -1 3 252.730 2.798 20 30 CFEDHM C=CCSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819758591 606627807 /nfs/dbraw/zinc/62/78/07/606627807.db2.gz AHNYALQRYAFWNA-UHFFFAOYSA-N -1 3 252.730 2.798 20 30 CFEDHM C[C@@H](C#N)Sc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819854263 606628594 /nfs/dbraw/zinc/62/85/94/606628594.db2.gz BMWCCRPBEICYRV-LURJTMIESA-N -1 3 265.729 2.524 20 30 CFEDHM C[C@@H](C#N)Sc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819854263 606628596 /nfs/dbraw/zinc/62/85/96/606628596.db2.gz BMWCCRPBEICYRV-LURJTMIESA-N -1 3 265.729 2.524 20 30 CFEDHM C=C(C)COCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819722779 606791384 /nfs/dbraw/zinc/79/13/84/606791384.db2.gz QSBSKDNFFYPJGC-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=C(C)COCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819722779 606791385 /nfs/dbraw/zinc/79/13/85/606791385.db2.gz QSBSKDNFFYPJGC-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822379067 607252193 /nfs/dbraw/zinc/25/21/93/607252193.db2.gz JUOHOTMLOJSRLU-IHWYPQMZSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822379067 607252194 /nfs/dbraw/zinc/25/21/94/607252194.db2.gz JUOHOTMLOJSRLU-IHWYPQMZSA-N -1 3 286.316 2.726 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000208134288 607882304 /nfs/dbraw/zinc/88/23/04/607882304.db2.gz LSPFQBGLWRHMDX-KHPPLWFESA-N -1 3 276.299 2.763 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000208134288 607882305 /nfs/dbraw/zinc/88/23/05/607882305.db2.gz LSPFQBGLWRHMDX-KHPPLWFESA-N -1 3 276.299 2.763 20 30 CFEDHM C#CCCCSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823841394 608321547 /nfs/dbraw/zinc/32/15/47/608321547.db2.gz MKSWJSSWUGWIRM-UHFFFAOYSA-N -1 3 258.350 2.513 20 30 CFEDHM C#CCCCSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823841394 608321549 /nfs/dbraw/zinc/32/15/49/608321549.db2.gz MKSWJSSWUGWIRM-UHFFFAOYSA-N -1 3 258.350 2.513 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)cs1 ZINC000826278834 609480293 /nfs/dbraw/zinc/48/02/93/609480293.db2.gz VHJYSGXLTKCNRQ-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)cs1 ZINC000826278834 609480296 /nfs/dbraw/zinc/48/02/96/609480296.db2.gz VHJYSGXLTKCNRQ-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM C=CCCCN(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823894528 609555981 /nfs/dbraw/zinc/55/59/81/609555981.db2.gz SIHLLCIZCZLNIA-UHFFFAOYSA-N -1 3 292.774 2.626 20 30 CFEDHM C=CCCCN(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823894528 609555982 /nfs/dbraw/zinc/55/59/82/609555982.db2.gz SIHLLCIZCZLNIA-UHFFFAOYSA-N -1 3 292.774 2.626 20 30 CFEDHM C#C[C@@H]1CCCCN1C(=O)c1cccc(CC)c1[O-] ZINC000890651884 617737564 /nfs/dbraw/zinc/73/75/64/617737564.db2.gz YUINSTKIQVZEEX-CYBMUJFWSA-N -1 3 257.333 2.583 20 30 CFEDHM C#C[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000890657281 617742642 /nfs/dbraw/zinc/74/26/42/617742642.db2.gz MZDSRBFMXVRZIN-NSHDSACASA-N -1 3 275.373 2.742 20 30 CFEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c([O-])c1 ZINC000901302035 620780085 /nfs/dbraw/zinc/78/00/85/620780085.db2.gz ZEZWZWZUCFTDBV-DDFAGTSDSA-N -1 3 280.343 2.801 20 30 CFEDHM C=CCN(CC(=O)OCC)Cc1cc(Cl)ccc1[O-] ZINC000091773393 618181791 /nfs/dbraw/zinc/18/17/91/618181791.db2.gz ALCMCDLMTGZOFS-UHFFFAOYSA-N -1 3 283.755 2.597 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000255302478 618183099 /nfs/dbraw/zinc/18/30/99/618183099.db2.gz WLJJTLVOWUIVOJ-IBSROHHASA-N -1 3 251.713 2.784 20 30 CFEDHM CC1(C)CC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372152 620797531 /nfs/dbraw/zinc/79/75/31/620797531.db2.gz SHFFKCWSCSVQOW-GFCCVEGCSA-N -1 3 251.301 2.980 20 30 CFEDHM Cn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1C(F)F ZINC000901373941 620798182 /nfs/dbraw/zinc/79/81/82/620798182.db2.gz AENPKVBYALXQDT-UHFFFAOYSA-N -1 3 299.252 2.528 20 30 CFEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373030 620798227 /nfs/dbraw/zinc/79/82/27/620798227.db2.gz RLBAYAGHHGZZAI-PCDDKUFXSA-N -1 3 263.312 2.836 20 30 CFEDHM COC1(CC(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC000901373278 620798341 /nfs/dbraw/zinc/79/83/41/620798341.db2.gz VULAUZAAXQMPOZ-UHFFFAOYSA-N -1 3 267.300 2.503 20 30 CFEDHM CCn1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000892483653 618362990 /nfs/dbraw/zinc/36/29/90/618362990.db2.gz SOSMJBYYUMXUGG-LBPRGKRZSA-N -1 3 280.331 2.665 20 30 CFEDHM COc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901379058 620799471 /nfs/dbraw/zinc/79/94/71/620799471.db2.gz PLLZUHJNKRUECF-UHFFFAOYSA-N -1 3 275.279 2.866 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2C(C)(C)C2(C)C)c1[O-] ZINC000794847951 618459230 /nfs/dbraw/zinc/45/92/30/618459230.db2.gz KXAYWBXBZMYHJP-REZTVBANSA-N -1 3 276.380 2.689 20 30 CFEDHM C=C1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000895614699 619567894 /nfs/dbraw/zinc/56/78/94/619567894.db2.gz SAZGBKQJDHNFQW-UHFFFAOYSA-N -1 3 274.246 2.508 20 30 CFEDHM C=C1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000895614699 619567895 /nfs/dbraw/zinc/56/78/95/619567895.db2.gz SAZGBKQJDHNFQW-UHFFFAOYSA-N -1 3 274.246 2.508 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC(C)(C)C2)c1[O-] ZINC000840706481 619857229 /nfs/dbraw/zinc/85/72/29/619857229.db2.gz NIISIJBMXGQFML-VVSAQIQQSA-N -1 3 276.380 2.976 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2(C3CCC3)CCC2)c1[O-] ZINC000840711027 619921112 /nfs/dbraw/zinc/92/11/12/619921112.db2.gz UKWLDSWJSDBYPQ-NVMNQCDNSA-N -1 3 288.391 2.977 20 30 CFEDHM CC(=NN[C@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000808001303 619934558 /nfs/dbraw/zinc/93/45/58/619934558.db2.gz JAKLBPNZXNCVDQ-JTQLQIEISA-N -1 3 270.785 2.865 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)C[C@H](C)O3)c1[O-] ZINC000899227411 620532726 /nfs/dbraw/zinc/53/27/26/620532726.db2.gz KVQYVILCQWWGPF-JTQLQIEISA-N -1 3 298.342 2.662 20 30 CFEDHM COc1cc(C(=O)/C=C/c2c3c(nn2C)CCC3)ccc1[O-] ZINC000899340915 620546853 /nfs/dbraw/zinc/54/68/53/620546853.db2.gz OUBSZQTXJISMKQ-VQHVLOKHSA-N -1 3 298.342 2.519 20 30 CFEDHM C=CCCSCCNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902390687 621061828 /nfs/dbraw/zinc/06/18/28/621061828.db2.gz LHMMXZXWQPSYIH-VOTSOKGWSA-N -1 3 281.377 2.776 20 30 CFEDHM CC[C@H](NCc1nc(C#N)cs1)c1cccc(C#N)c1[O-] ZINC000903262609 621303266 /nfs/dbraw/zinc/30/32/66/621303266.db2.gz FMHAZZNUOIFNDW-ZDUSSCGKSA-N -1 3 298.371 2.833 20 30 CFEDHM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000903409580 621364427 /nfs/dbraw/zinc/36/44/27/621364427.db2.gz WEDVOUQMZJXEHH-AWEZNQCLSA-N -1 3 278.739 2.651 20 30 CFEDHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903409384 621364672 /nfs/dbraw/zinc/36/46/72/621364672.db2.gz YPEMYVVWKCHJCW-GWCFXTLKSA-N -1 3 292.766 2.754 20 30 CFEDHM C=CC[C@@H](C)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903927867 621475269 /nfs/dbraw/zinc/47/52/69/621475269.db2.gz NPHSKXNZGDHZSS-LLVKDONJSA-N -1 3 261.321 2.544 20 30 CFEDHM C=C(Br)CN1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903952464 621488359 /nfs/dbraw/zinc/48/83/59/621488359.db2.gz YUUFFNKMPNAJPS-VFRUTBLMSA-N -1 3 290.201 2.715 20 30 CFEDHM O=C([C@H]1C[C@@]12CCOC2)N([O-])Cc1cccc2ccccc21 ZINC000904171643 621541261 /nfs/dbraw/zinc/54/12/61/621541261.db2.gz QHHYXQUEODNZGH-SJLPKXTDSA-N -1 3 297.354 2.984 20 30 CFEDHM O=C(CCCn1cccc1)N([O-])Cc1ccc(F)cc1 ZINC000904173878 621542102 /nfs/dbraw/zinc/54/21/02/621542102.db2.gz SCEYUFSHCTWHHA-UHFFFAOYSA-N -1 3 276.311 2.825 20 30 CFEDHM CC(C)n1cc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000904173895 621542159 /nfs/dbraw/zinc/54/21/59/621542159.db2.gz SKMJUFHEBFMEDE-UHFFFAOYSA-N -1 3 277.299 2.635 20 30 CFEDHM C[C@@H]1CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904174204 621542339 /nfs/dbraw/zinc/54/23/39/621542339.db2.gz WSGRKGCXOUSMGP-ZYHUDNBSSA-N -1 3 251.301 2.980 20 30 CFEDHM CCc1nc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)o1 ZINC000904177563 621543271 /nfs/dbraw/zinc/54/32/71/621543271.db2.gz HLEHYGFXUKUXSJ-UHFFFAOYSA-N -1 3 278.283 2.716 20 30 CFEDHM O=C(COCC1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000904178123 621543699 /nfs/dbraw/zinc/54/36/99/621543699.db2.gz ZKFUGFIWPYFMLE-UHFFFAOYSA-N -1 3 281.327 2.750 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCOC[C@H]1OCC ZINC000904207232 621544103 /nfs/dbraw/zinc/54/41/03/621544103.db2.gz WKWULVIVVLLZED-UONOGXRCSA-N -1 3 287.400 2.616 20 30 CFEDHM CCCCN([O-])C(=O)CCc1c(C)nc(SC)nc1C ZINC000904208424 621544522 /nfs/dbraw/zinc/54/45/22/621544522.db2.gz YXCSZZBUOQEDJU-UHFFFAOYSA-N -1 3 297.424 2.766 20 30 CFEDHM CCCCN([O-])C(=O)CCC(=O)c1ccc(C)cc1 ZINC000904207804 621544622 /nfs/dbraw/zinc/54/46/22/621544622.db2.gz CHUNEIIFRXAYNP-UHFFFAOYSA-N -1 3 263.337 2.976 20 30 CFEDHM CCCCN([O-])C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000904210051 621544798 /nfs/dbraw/zinc/54/47/98/621544798.db2.gz FNYFTWRWSPGKDQ-UHFFFAOYSA-N -1 3 291.351 2.609 20 30 CFEDHM COC[C@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904188526 621545548 /nfs/dbraw/zinc/54/55/48/621545548.db2.gz DFRFYQFVQGRWCX-SNVBAGLBSA-N -1 3 271.744 2.730 20 30 CFEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904190357 621545991 /nfs/dbraw/zinc/54/59/91/621545991.db2.gz KQVSKGRZIOUXKJ-GHMZBOCLSA-N -1 3 283.755 2.873 20 30 CFEDHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N([O-])Cc1ccccc1Cl ZINC000904192302 621546245 /nfs/dbraw/zinc/54/62/45/621546245.db2.gz HSRABNQLLVEBDN-GHMZBOCLSA-N -1 3 291.738 2.585 20 30 CFEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000904192183 621546473 /nfs/dbraw/zinc/54/64/73/621546473.db2.gz CUWUTOZTGZTSMG-GXFFZTMASA-N -1 3 283.755 2.873 20 30 CFEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)[C@@H](C)O1 ZINC000904192125 621546496 /nfs/dbraw/zinc/54/64/96/621546496.db2.gz AUIDBGIMCWKANO-FOGDFJRCSA-N -1 3 283.755 2.871 20 30 CFEDHM COC[C@@H](C)[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193084 621546771 /nfs/dbraw/zinc/54/67/71/621546771.db2.gz KROACDKBXIYHFY-GHMZBOCLSA-N -1 3 285.771 2.976 20 30 CFEDHM Cc1ccc(C(=O)N([O-])CCCCc2ccccc2)nn1 ZINC000904195538 621547180 /nfs/dbraw/zinc/54/71/80/621547180.db2.gz GYKFUJGDJPGSHS-UHFFFAOYSA-N -1 3 285.347 2.639 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000904204070 621549949 /nfs/dbraw/zinc/54/99/49/621549949.db2.gz DDKDOCZQRYXJFG-ZDUSSCGKSA-N -1 3 278.352 2.804 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000904215005 621551140 /nfs/dbraw/zinc/55/11/40/621551140.db2.gz WERRFUDBIVEINE-UONOGXRCSA-N -1 3 258.321 2.680 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000904205528 621551159 /nfs/dbraw/zinc/55/11/59/621551159.db2.gz LFNFTXROOTVPOR-NSHDSACASA-N -1 3 281.400 2.939 20 30 CFEDHM CCCCN([O-])C(=O)c1cc(C(F)(F)F)ccn1 ZINC000904215671 621551544 /nfs/dbraw/zinc/55/15/44/621551544.db2.gz JDWBATOSFLBIOD-UHFFFAOYSA-N -1 3 262.231 2.732 20 30 CFEDHM CCCCN([O-])C(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000904213398 621554329 /nfs/dbraw/zinc/55/43/29/621554329.db2.gz PRGAUUDAHSNWGQ-NSHDSACASA-N -1 3 288.388 2.698 20 30 CFEDHM CCCCN([O-])C(=O)Cc1nsc2ccccc21 ZINC000904214887 621555079 /nfs/dbraw/zinc/55/50/79/621555079.db2.gz QQWRKLFZQCJJBM-UHFFFAOYSA-N -1 3 264.350 2.857 20 30 CFEDHM N#CC1(CN[C@H]2C[C@H](NC(=O)[O-])C23CCC3)CCCCC1 ZINC000904254587 621562986 /nfs/dbraw/zinc/56/29/86/621562986.db2.gz ZIEOVUSSHFATDF-STQMWFEESA-N -1 3 291.395 2.629 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@]23C[C@@H]2CCCC3)c1[O-] ZINC000905003552 621680109 /nfs/dbraw/zinc/68/01/09/621680109.db2.gz XSTSMZDBKDYJFY-LZNNZINHSA-N -1 3 274.364 2.587 20 30 CFEDHM CO[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCSC1 ZINC000905002718 621680298 /nfs/dbraw/zinc/68/02/98/621680298.db2.gz KUYKHZDTAHTQRK-FEZXJWFHSA-N -1 3 285.796 2.987 20 30 CFEDHM O=C(/C=C\c1ccc([O-])cc1F)c1cn2c(n1)CCCC2 ZINC000905072987 621698085 /nfs/dbraw/zinc/69/80/85/621698085.db2.gz BQMAOFOVLHSNLB-ALCCZGGFSA-N -1 3 286.306 2.960 20 30 CFEDHM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(OC)c1 ZINC000906478921 621993792 /nfs/dbraw/zinc/99/37/92/621993792.db2.gz ILPFOQFYLTXPMQ-ZDUSSCGKSA-N -1 3 282.290 2.595 20 30 CFEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OCCC1CC1 ZINC000908384488 622224659 /nfs/dbraw/zinc/22/46/59/622224659.db2.gz ZFYOBOQFZNQESG-UHFFFAOYSA-N -1 3 272.348 2.566 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC000164539814 622958595 /nfs/dbraw/zinc/95/85/95/622958595.db2.gz BAGVXTAESHKQRV-UHFFFAOYSA-N -1 3 257.692 2.552 20 30 CFEDHM CCn1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c(C)n1 ZINC000165396723 622988983 /nfs/dbraw/zinc/98/89/83/622988983.db2.gz VKVPHPINCKJHDE-VOTSOKGWSA-N -1 3 286.331 2.822 20 30 CFEDHM C#CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000076763549 623140657 /nfs/dbraw/zinc/14/06/57/623140657.db2.gz AECFSISXEDWGJC-CQSZACIVSA-N -1 3 296.351 2.954 20 30 CFEDHM CC(=O)c1ccc(C(=O)N(CCC#N)CC(C)C)cc1[O-] ZINC000824234958 623473716 /nfs/dbraw/zinc/47/37/16/623473716.db2.gz YLGJDIFPBBUNHK-UHFFFAOYSA-N -1 3 288.347 2.607 20 30 CFEDHM C[C@@H](C#N)CN(C)Cc1ccc(Br)cc1[O-] ZINC000824597192 623529425 /nfs/dbraw/zinc/52/94/25/623529425.db2.gz MYTQVCNRYFDFQO-VIFPVBQESA-N -1 3 283.169 2.746 20 30 CFEDHM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000824990089 623600851 /nfs/dbraw/zinc/60/08/51/623600851.db2.gz CCVUFUJWTRZLKF-ZDUSSCGKSA-N -1 3 282.290 2.595 20 30 CFEDHM CCCC(CC)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825233995 623655275 /nfs/dbraw/zinc/65/52/75/623655275.db2.gz UTYYKTAKOUIKSL-UHFFFAOYSA-N -1 3 272.356 2.522 20 30 CFEDHM CCCC(CC)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825233995 623655278 /nfs/dbraw/zinc/65/52/78/623655278.db2.gz UTYYKTAKOUIKSL-UHFFFAOYSA-N -1 3 272.356 2.522 20 30 CFEDHM CCCC(CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825232754 623655702 /nfs/dbraw/zinc/65/57/02/623655702.db2.gz KBMYMSFCTYCKLA-UHFFFAOYSA-N -1 3 293.762 2.893 20 30 CFEDHM CCCC(CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825232754 623655705 /nfs/dbraw/zinc/65/57/05/623655705.db2.gz KBMYMSFCTYCKLA-UHFFFAOYSA-N -1 3 293.762 2.893 20 30 CFEDHM N#CC1(CSc2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826380236 623801967 /nfs/dbraw/zinc/80/19/67/623801967.db2.gz RYDASVGSYFOZTQ-UHFFFAOYSA-N -1 3 291.767 2.916 20 30 CFEDHM N#CC1(CSc2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826380236 623801980 /nfs/dbraw/zinc/80/19/80/623801980.db2.gz RYDASVGSYFOZTQ-UHFFFAOYSA-N -1 3 291.767 2.916 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[C@H](O)C1 ZINC000915983145 624201476 /nfs/dbraw/zinc/20/14/76/624201476.db2.gz RBVMQEZYDXIAQK-QLJNYYLWSA-N -1 3 298.180 2.877 20 30 CFEDHM COC(=O)c1cnc(SCC2CCC(C#N)CC2)[n-]1 ZINC000917496182 624349323 /nfs/dbraw/zinc/34/93/23/624349323.db2.gz LIRUDNXTWSQOIP-UHFFFAOYSA-N -1 3 279.365 2.618 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2ccsc2)c1[O-] ZINC000918712565 624470723 /nfs/dbraw/zinc/47/07/23/624470723.db2.gz OVOZNAIKGPDQHL-QOZZSIDGSA-N -1 3 290.388 2.700 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@@H]2c2ccccc2)c1[O-] ZINC000920388015 624718617 /nfs/dbraw/zinc/71/86/17/624718617.db2.gz XETUANPUJZVLEX-WUIYKIHHSA-N -1 3 282.343 2.563 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000920387070 624718702 /nfs/dbraw/zinc/71/87/02/624718702.db2.gz KOTBATJNFVKRHK-BBOWQOMZSA-N -1 3 276.380 2.833 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832130290 625226865 /nfs/dbraw/zinc/22/68/65/625226865.db2.gz PFYRLKFUGPLHPW-UHFFFAOYSA-N -1 3 295.191 2.633 20 30 CFEDHM C[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CN1C1CC1 ZINC000835010246 625956871 /nfs/dbraw/zinc/95/68/71/625956871.db2.gz UTDXNZSYMLEKRK-VIFPVBQESA-N -1 3 291.326 2.548 20 30 CFEDHM CCc1ccc(NN=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000835010646 625957344 /nfs/dbraw/zinc/95/73/44/625957344.db2.gz FTRACBUJJGAYMO-UHFFFAOYSA-N -1 3 285.347 2.596 20 30 CFEDHM COc1cc(F)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255898212 626224532 /nfs/dbraw/zinc/22/45/32/626224532.db2.gz PCMPKQFVBRURIS-UHFFFAOYSA-N -1 3 277.251 2.702 20 30 CFEDHM CC(C)(CCC#N)CNC(=O)NCc1c([O-])cccc1F ZINC000922486185 626296756 /nfs/dbraw/zinc/29/67/56/626296756.db2.gz QGZPYPXMSZHUNY-UHFFFAOYSA-N -1 3 293.342 2.660 20 30 CFEDHM C=CC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000922712155 626350660 /nfs/dbraw/zinc/35/06/60/626350660.db2.gz CCKAFUGREUUCFO-UHFFFAOYSA-N -1 3 266.316 2.543 20 30 CFEDHM C=C[C@@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000757053712 626544200 /nfs/dbraw/zinc/54/42/00/626544200.db2.gz MNKSSVPXESGNQF-SSDOTTSWSA-N -1 3 261.218 2.747 20 30 CFEDHM Cc1ccc(F)c(NN=C2C(=O)Nc3cc([O-])ccc32)c1 ZINC000759663124 626680938 /nfs/dbraw/zinc/68/09/38/626680938.db2.gz AWHZDMPVMCQIEH-UHFFFAOYSA-N -1 3 285.278 2.608 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2CCC(F)(F)CC2)c1[O-] ZINC000761179138 626813773 /nfs/dbraw/zinc/81/37/73/626813773.db2.gz AJKRRQFZNARBTG-CNHKJKLMSA-N -1 3 284.306 2.585 20 30 CFEDHM C#CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000763950207 627025082 /nfs/dbraw/zinc/02/50/82/627025082.db2.gz LTPCYALCYXDPFR-UHFFFAOYSA-N -1 3 277.751 2.846 20 30 CFEDHM C#CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCC ZINC000764433772 627059661 /nfs/dbraw/zinc/05/96/61/627059661.db2.gz FKMBNOYAPCVJLI-VURMDHGXSA-N -1 3 296.326 2.763 20 30 CFEDHM CC(=NNC[C@@H](C)C#N)c1cc(Cl)ccc1[O-] ZINC000771106512 627578093 /nfs/dbraw/zinc/57/80/93/627578093.db2.gz FEIATFXRUVLMFV-QMMMGPOBSA-N -1 3 251.717 2.519 20 30 CFEDHM CC(=NNC[C@H](C)C#N)c1cc(Cl)ccc1[O-] ZINC000771106508 627578224 /nfs/dbraw/zinc/57/82/24/627578224.db2.gz FEIATFXRUVLMFV-MRVPVSSYSA-N -1 3 251.717 2.519 20 30 CFEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581877 627616107 /nfs/dbraw/zinc/61/61/07/627616107.db2.gz GLWWMQNKLMZWII-ATJFRQLMSA-N -1 3 294.763 2.864 20 30 CFEDHM CC(=NN=c1cc[n-]n1C)c1ccc(C(C)C)cc1 ZINC000774408408 627921998 /nfs/dbraw/zinc/92/19/98/627921998.db2.gz CEAPVPFDRZPMIU-UHFFFAOYSA-N -1 3 256.353 2.802 20 30 CFEDHM COC[C@@H](C)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000777901656 628262940 /nfs/dbraw/zinc/26/29/40/628262940.db2.gz DPMIYNJZCFPNOE-LLVKDONJSA-N -1 3 272.348 2.894 20 30 CFEDHM Cc1nnc(C/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000779706395 628394280 /nfs/dbraw/zinc/39/42/80/628394280.db2.gz CISSSBLIYRPFGR-WLRTZDKTSA-N -1 3 267.741 2.825 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)C2CC2)cc1 ZINC000780022577 628427419 /nfs/dbraw/zinc/42/74/19/628427419.db2.gz FSUJAKLIHAYDLX-LBPRGKRZSA-N -1 3 264.275 2.505 20 30 CFEDHM CCOc1cc(C=NN[C@@H]2CCCOC2)cc(Cl)c1[O-] ZINC000780257054 628446523 /nfs/dbraw/zinc/44/65/23/628446523.db2.gz FROUWBXAKPEJIQ-LLVKDONJSA-N -1 3 298.770 2.547 20 30 CFEDHM C[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000783831853 628748555 /nfs/dbraw/zinc/74/85/55/628748555.db2.gz BNDIZGXESJAWOF-CHWSQXEVSA-N -1 3 294.420 2.918 20 30 CFEDHM N#Cc1ccc(OCCOC(=O)c2cc3occc3[n-]2)cc1 ZINC000786031944 628931295 /nfs/dbraw/zinc/93/12/95/628931295.db2.gz VNSSWKPLFMGIFS-UHFFFAOYSA-N -1 3 296.282 2.868 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000787681669 629025650 /nfs/dbraw/zinc/02/56/50/629025650.db2.gz QJITVRVIQNQKQJ-LLVKDONJSA-N -1 3 283.331 2.516 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC[C@H]2CC(C)=C[C@H](C)C2)n1 ZINC000789639815 629176749 /nfs/dbraw/zinc/17/67/49/629176749.db2.gz NJIJVCVJGHQRAS-JOYOIKCWSA-N -1 3 260.341 2.881 20 30 CFEDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CC#N)C2)c1[O-] ZINC000852319003 634719377 /nfs/dbraw/zinc/71/93/77/634719377.db2.gz DYQRXNVKXOVMAO-GFCCVEGCSA-N -1 3 290.338 2.860 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC2(CC2)CC1 ZINC000792629318 629440177 /nfs/dbraw/zinc/44/01/77/629440177.db2.gz JOYOYTRXSKYMEG-UHFFFAOYSA-N -1 3 292.404 2.816 20 30 CFEDHM CC(=NNCCC(F)(F)F)c1ccc([O-])cc1F ZINC000794546654 629659053 /nfs/dbraw/zinc/65/90/53/629659053.db2.gz UYGSEGMUSJMUEA-UHFFFAOYSA-N -1 3 264.222 2.797 20 30 CFEDHM CC1(C)C[C@@H](NN=Cc2c(F)ccc([O-])c2F)CCO1 ZINC000794536506 629656508 /nfs/dbraw/zinc/65/65/08/629656508.db2.gz PEMQAGWXKWHZAK-VIFPVBQESA-N -1 3 284.306 2.552 20 30 CFEDHM [O-]c1ccc(F)c(C=NNCCC(F)(F)F)c1F ZINC000794544585 629658624 /nfs/dbraw/zinc/65/86/24/629658624.db2.gz CIPATFAYDQVHHA-UHFFFAOYSA-N -1 3 268.185 2.546 20 30 CFEDHM CC(=NNc1cncnc1)c1cc(Cl)ccc1[O-] ZINC000794979540 629716094 /nfs/dbraw/zinc/71/60/94/629716094.db2.gz YUBNJOUAAVVOGL-UHFFFAOYSA-N -1 3 262.700 2.672 20 30 CFEDHM COCCCON=Cc1c([O-])ccc2ccccc21 ZINC000795048147 629729414 /nfs/dbraw/zinc/72/94/14/629729414.db2.gz IDKJFJDCNNNUQB-UHFFFAOYSA-N -1 3 259.305 2.932 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)cc(C)n2)n1 ZINC000802033076 630498786 /nfs/dbraw/zinc/49/87/86/630498786.db2.gz XSBACRVKWVEMFH-NSHDSACASA-N -1 3 271.345 2.953 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CC1=CCCOC1 ZINC000806552788 630809282 /nfs/dbraw/zinc/80/92/82/630809282.db2.gz YUSSLFVKWYHELS-NVNXTCNLSA-N -1 3 251.713 2.811 20 30 CFEDHM Cn1cc(CCC/N=C/c2cc(Cl)ccc2[O-])cn1 ZINC000102598384 630879793 /nfs/dbraw/zinc/87/97/93/630879793.db2.gz YPOWPFGPCPFDCZ-CXUHLZMHSA-N -1 3 277.755 2.831 20 30 CFEDHM C=CCO[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000837044101 630943497 /nfs/dbraw/zinc/94/34/97/630943497.db2.gz WMCMNURSKLHBJC-UHFFFAOYSA-N -1 3 286.331 2.816 20 30 CFEDHM C=CCO[N-]C(=O)CCCc1cc(C)sc1C ZINC000837048164 630946126 /nfs/dbraw/zinc/94/61/26/630946126.db2.gz NHNJHSWBCTVECS-UHFFFAOYSA-N -1 3 253.367 2.921 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCCOCC2CCCC2)c1 ZINC000837646774 631096846 /nfs/dbraw/zinc/09/68/46/631096846.db2.gz RXRPSGWNOXFKTC-UHFFFAOYSA-N -1 3 289.331 2.627 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)C2CCC2)c1[O-] ZINC000840708870 631175354 /nfs/dbraw/zinc/17/53/54/631175354.db2.gz JJMISFORCYRTQV-CAOOACKPSA-N -1 3 276.380 2.833 20 30 CFEDHM COC(=O)[C@@H](CC1CC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000840710460 631175688 /nfs/dbraw/zinc/17/56/88/631175688.db2.gz JVHUJMMSBUZYOL-VJMCZWTHSA-N -1 3 281.739 2.806 20 30 CFEDHM Cc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)n(C)n1 ZINC000841485009 631414748 /nfs/dbraw/zinc/41/47/48/631414748.db2.gz FFYZWSDDQQINGZ-MXFUOJGSSA-N -1 3 286.306 2.957 20 30 CFEDHM C=CCCCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000811012440 631497311 /nfs/dbraw/zinc/49/73/11/631497311.db2.gz LLBZQPRMYLFOLC-UHFFFAOYSA-N -1 3 297.376 2.571 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2cnc(Cl)s2)c1 ZINC000811188209 631532846 /nfs/dbraw/zinc/53/28/46/631532846.db2.gz DCWUUEQPGBVLAB-UHFFFAOYSA-N -1 3 294.719 2.731 20 30 CFEDHM CC[C@@H](O)CNN=C(C)c1ccc2ccccc2c1[O-] ZINC000811653517 631594979 /nfs/dbraw/zinc/59/49/79/631594979.db2.gz DWQUGJFVPYWLHO-CYBMUJFWSA-N -1 3 272.348 2.630 20 30 CFEDHM C#CCO[N-]C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000812786086 631774188 /nfs/dbraw/zinc/77/41/88/631774188.db2.gz BSEWQXPYYKWWIH-GJZGRUSLSA-N -1 3 281.396 2.823 20 30 CFEDHM C#CC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000843422053 631951185 /nfs/dbraw/zinc/95/11/85/631951185.db2.gz BKZNZTFJMXCTCC-NSHDSACASA-N -1 3 265.303 2.906 20 30 CFEDHM CCCCCCCOC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814532019 632085383 /nfs/dbraw/zinc/08/53/83/632085383.db2.gz ZTOBIAOMZUKGDB-UHFFFAOYSA-N -1 3 267.325 2.929 20 30 CFEDHM C#CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000844005865 632094153 /nfs/dbraw/zinc/09/41/53/632094153.db2.gz TVDNHCZLKPSMGZ-NSHDSACASA-N -1 3 277.751 2.921 20 30 CFEDHM CCOCCON=Cc1ccc2ccccc2c1[O-] ZINC000814907510 632159027 /nfs/dbraw/zinc/15/90/27/632159027.db2.gz MPVDJIAFTAGILR-UHFFFAOYSA-N -1 3 259.305 2.932 20 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ZINC001226510579 775852565 /nfs/dbraw/zinc/85/25/65/775852565.db2.gz MBPGBEGXPSHUSY-LBPRGKRZSA-N -1 3 255.277 2.524 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533016 775863634 /nfs/dbraw/zinc/86/36/34/775863634.db2.gz XPRHFLWEICWVPD-SMDDNHRTSA-N -1 3 284.311 2.988 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nc3cnncc32)C1 ZINC001226689069 775920749 /nfs/dbraw/zinc/92/07/49/775920749.db2.gz ZGMUVRBTPKGMLL-BXUZGUMPSA-N -1 3 298.346 2.805 20 30 CFEDHM Cc1cc(O[C@@H](C#N)c2ccccc2)[n-]c(=S)n1 ZINC001226798837 775969825 /nfs/dbraw/zinc/96/98/25/775969825.db2.gz LZXUHNBOEUQLQS-NSHDSACASA-N -1 3 257.318 2.717 20 30 CFEDHM N#C[C@H](Oc1ccnc(=S)[n-]1)c1cccc(F)c1 ZINC001226943130 776027364 /nfs/dbraw/zinc/02/73/64/776027364.db2.gz QRRSTTAEHUHYPG-JTQLQIEISA-N -1 3 261.281 2.548 20 30 CFEDHM CCc1cnc(=S)[n-]c1OC1CCC(C#N)CC1 ZINC001227060354 776078936 /nfs/dbraw/zinc/07/89/36/776078936.db2.gz ALWXJJHKENMCFS-UHFFFAOYSA-N -1 3 263.366 2.789 20 30 CFEDHM CCc1cnc(=S)[n-]c1O[C@H](C)C#C[Si](C)(C)C ZINC001227060852 776078985 /nfs/dbraw/zinc/07/89/85/776078985.db2.gz FPPZVMFMDKGHIN-SNVBAGLBSA-N -1 3 280.469 2.976 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@H]2CC[C@]3(CCCCO3)O2)c1 ZINC001227351315 776182796 /nfs/dbraw/zinc/18/27/96/776182796.db2.gz UTCDANZESASMOO-CJNGLKHVSA-N -1 3 289.331 2.718 20 30 CFEDHM C=C(C)C[C@H](Oc1[nH]c(=S)nc2nc[n-]c21)C(=C)C ZINC001227616406 776245864 /nfs/dbraw/zinc/24/58/64/776245864.db2.gz PCZYHBZRTAHRFI-VIFPVBQESA-N -1 3 276.365 2.931 20 30 CFEDHM C=CC[C@H](C=C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743098 776276084 /nfs/dbraw/zinc/27/60/84/776276084.db2.gz JDQSLYPGYCJIBH-JTQLQIEISA-N -1 3 259.265 2.981 20 30 CFEDHM C=CC[C@H](C=C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743098 776276089 /nfs/dbraw/zinc/27/60/89/776276089.db2.gz JDQSLYPGYCJIBH-JTQLQIEISA-N -1 3 259.265 2.981 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746791 776278564 /nfs/dbraw/zinc/27/85/64/776278564.db2.gz UQQNHZWVEATDGY-NOZJJQNGSA-N -1 3 271.276 2.652 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746791 776278570 /nfs/dbraw/zinc/27/85/70/776278570.db2.gz UQQNHZWVEATDGY-NOZJJQNGSA-N -1 3 271.276 2.652 20 30 CFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1C#N ZINC001228004332 776358195 /nfs/dbraw/zinc/35/81/95/776358195.db2.gz JQHAATZIMGAUSB-SNVBAGLBSA-N -1 3 292.298 2.742 20 30 CFEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)CS ZINC001228621510 776542291 /nfs/dbraw/zinc/54/22/91/776542291.db2.gz BHKAQPRIEGKXFZ-MRVPVSSYSA-N -1 3 266.318 2.504 20 30 CFEDHM C=CC[C@H](CCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228696715 776571340 /nfs/dbraw/zinc/57/13/40/776571340.db2.gz BYDYVXWJHNWXIA-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM CCC1=C(Oc2ncc([O-])c3ccccc32)C(=O)[C@H](C)O1 ZINC001229143241 776731498 /nfs/dbraw/zinc/73/14/98/776731498.db2.gz GEPPMUWHKQGNGY-VIFPVBQESA-N -1 3 285.299 2.929 20 30 CFEDHM CC[C@H](O)C(=O)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229933563 776920289 /nfs/dbraw/zinc/92/02/89/776920289.db2.gz QXDXMKBNDYPLFF-BGARDKSCSA-N -1 3 299.326 2.819 20 30 CFEDHM C=C[C@H](CCCC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230793205 777066178 /nfs/dbraw/zinc/06/61/78/777066178.db2.gz XTSQKOPLRCJPME-SECBINFHSA-N -1 3 266.366 2.954 20 30 CFEDHM C=C[C@H](CCCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076345 777133903 /nfs/dbraw/zinc/13/39/03/777133903.db2.gz JTHOYIUZIMQCTA-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C#CC[C@H](CC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231086961 777137810 /nfs/dbraw/zinc/13/78/10/777137810.db2.gz HENRKHVPOAQBJP-VIFPVBQESA-N -1 3 297.738 2.798 20 30 CFEDHM C=CCC[C@@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231123076 777148840 /nfs/dbraw/zinc/14/88/40/777148840.db2.gz YDRZXVPXEROTMG-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCC[C@@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231123076 777148842 /nfs/dbraw/zinc/14/88/42/777148842.db2.gz YDRZXVPXEROTMG-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@@H](C#N)N(C)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526287 777252008 /nfs/dbraw/zinc/25/20/08/777252008.db2.gz NFFRWMQCMWSISM-QMMMGPOBSA-N -1 3 258.243 2.755 20 30 CFEDHM CCC[C@@H](Oc1nccc(/C=N/[O-])n1)[C@H](C)CC ZINC001226257019 777490365 /nfs/dbraw/zinc/49/03/65/777490365.db2.gz XQJUZEBCFCQTEV-KYMBZKNXSA-N -1 3 251.330 2.878 20 30 CFEDHM C#C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C(C)C ZINC001226599398 777583959 /nfs/dbraw/zinc/58/39/59/777583959.db2.gz MPJUPXSXXWRVRG-LBPRGKRZSA-N -1 3 258.273 2.535 20 30 CFEDHM C[C@@H]1C(=O)CCN(Cc2cc(C#N)ccc2[O-])C12CCCC2 ZINC001232680962 777639942 /nfs/dbraw/zinc/63/99/42/777639942.db2.gz JFINMUBIPMPRAI-CYBMUJFWSA-N -1 3 298.386 2.988 20 30 CFEDHM CCN(Cc1cccnc1)Cc1cc(C#N)ccc1[O-] ZINC001232679559 777640792 /nfs/dbraw/zinc/64/07/92/777640792.db2.gz NRIAFVNLSRQMMZ-UHFFFAOYSA-N -1 3 267.332 2.681 20 30 CFEDHM CCOC(=O)[C@@H](CC(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227345543 777817568 /nfs/dbraw/zinc/81/75/68/777817568.db2.gz NSXATOYKLVLFGB-CQSZACIVSA-N -1 3 277.320 2.620 20 30 CFEDHM C#C[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335475 777893594 /nfs/dbraw/zinc/89/35/94/777893594.db2.gz WTNDDONOMXFPCG-SNVBAGLBSA-N -1 3 251.276 2.516 20 30 CFEDHM N#Cc1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)c([O-])c1 ZINC001233386917 777929295 /nfs/dbraw/zinc/92/92/95/777929295.db2.gz NKUDOJIOCRQNRE-UHFFFAOYSA-N -1 3 280.327 2.528 20 30 CFEDHM N#Cc1ccc(C[N@H+]2CCc3cccc([O-])c3C2)c([O-])c1 ZINC001233386917 777929300 /nfs/dbraw/zinc/92/93/00/777929300.db2.gz NKUDOJIOCRQNRE-UHFFFAOYSA-N -1 3 280.327 2.528 20 30 CFEDHM COc1ccc(CN2CCC[C@H](C#N)C2)c(Cl)c1[O-] ZINC001233400253 777938165 /nfs/dbraw/zinc/93/81/65/777938165.db2.gz AWRDISQEWAGWEE-SNVBAGLBSA-N -1 3 280.755 2.790 20 30 CFEDHM COc1ccc(CN(CCC#N)CCC#N)c(Cl)c1[O-] ZINC001233401438 777938306 /nfs/dbraw/zinc/93/83/06/777938306.db2.gz ZHLQAHAPTAPKPT-UHFFFAOYSA-N -1 3 293.754 2.684 20 30 CFEDHM N#CC1CC(Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497214 777969192 /nfs/dbraw/zinc/96/91/92/777969192.db2.gz GBEQEXDXJKXYLN-UHFFFAOYSA-N -1 3 292.682 2.805 20 30 CFEDHM C[C@@H](CS)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233507628 777973963 /nfs/dbraw/zinc/97/39/63/777973963.db2.gz ZHOLFLCGGQWUKT-YFKPBYRVSA-N -1 3 287.728 2.822 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1cnn(C)c1C ZINC001233799316 778080461 /nfs/dbraw/zinc/08/04/61/778080461.db2.gz HTIYSUSOUSOBKN-CPWFCVNUSA-N -1 3 289.335 2.685 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001233799571 778081204 /nfs/dbraw/zinc/08/12/04/778081204.db2.gz LOINYUFCUKMQQJ-WKIQKQIYSA-N -1 3 260.293 2.574 20 30 CFEDHM CCC#C[C@@H](C)Oc1ncc(Br)cc1[O-] ZINC001228956403 778214564 /nfs/dbraw/zinc/21/45/64/778214564.db2.gz OTRKJILPZVIYGA-MRVPVSSYSA-N -1 3 270.126 2.730 20 30 CFEDHM C#C[C@@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690461 778289325 /nfs/dbraw/zinc/28/93/25/778289325.db2.gz BTHFBRHCDGEKRK-LBPRGKRZSA-N -1 3 254.289 2.640 20 30 CFEDHM COc1cc([O-])c(C)c(O[C@@H]2CC[C@@H](C#N)C2)c1C(C)=O ZINC001234790787 778298666 /nfs/dbraw/zinc/29/86/66/778298666.db2.gz JUBHEFQSOYQABM-VXGBXAGGSA-N -1 3 289.331 2.983 20 30 CFEDHM Cc1nc(Nc2ccc([O-])c(F)c2F)c(C#N)cc1C#N ZINC001211999994 778321189 /nfs/dbraw/zinc/32/11/89/778321189.db2.gz GKGASHWDLVYIKY-UHFFFAOYSA-N -1 3 286.241 2.861 20 30 CFEDHM CC(=O)Oc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001212079724 778349447 /nfs/dbraw/zinc/34/94/47/778349447.db2.gz PORSLJSSPVMXPN-UHFFFAOYSA-N -1 3 268.272 2.933 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000127865216 778412296 /nfs/dbraw/zinc/41/22/96/778412296.db2.gz JOZJFLRMWAOCMI-AWEZNQCLSA-N -1 3 282.299 2.858 20 30 CFEDHM N#Cc1cc(-c2ccccc2-c2nnn[n-]2)ccc1F ZINC001235893618 778594773 /nfs/dbraw/zinc/59/47/73/778594773.db2.gz MUWPBDJDEUDCGR-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1cc(-c2ccccc2-c2nn[n-]n2)ccc1F ZINC001235893618 778594775 /nfs/dbraw/zinc/59/47/75/778594775.db2.gz MUWPBDJDEUDCGR-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#CCCCCNc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001168427145 779005930 /nfs/dbraw/zinc/00/59/30/779005930.db2.gz IUNBGPGGEMFILF-UHFFFAOYSA-N -1 3 276.287 2.890 20 30 CFEDHM Cc1cc([O-])c(CN(C)CCC#N)cc1Br ZINC001237678455 779159424 /nfs/dbraw/zinc/15/94/24/779159424.db2.gz ZINJMUIUBOPTDA-UHFFFAOYSA-N -1 3 283.169 2.809 20 30 CFEDHM N#CC1(c2ccc(Nc3cc(=O)[n-]c(=S)[nH]3)cc2)CC1 ZINC001212247740 779519380 /nfs/dbraw/zinc/51/93/80/779519380.db2.gz SSYVJSHTRFWAGM-UHFFFAOYSA-N -1 3 284.344 2.770 20 30 CFEDHM CNC(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001240016907 779914842 /nfs/dbraw/zinc/91/48/42/779914842.db2.gz AQXVCILQHQLASV-GIJQJNRQSA-N -1 3 272.279 2.660 20 30 CFEDHM Cc1nn(C)c(C)c1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001240144721 779966509 /nfs/dbraw/zinc/96/65/09/779966509.db2.gz IXOYJIAXPXPZQW-VKAVYKQESA-N -1 3 255.321 2.828 20 30 CFEDHM [O-]/N=C/c1ccc(-c2ccc3nccn3c2)cc1F ZINC001240219094 780005226 /nfs/dbraw/zinc/00/52/26/780005226.db2.gz YYVNIMVLBHYZNV-CAOOACKPSA-N -1 3 255.252 2.949 20 30 CFEDHM [O-]/N=C1/CCc2cc(-c3cnc4ccnn4c3)ccc21 ZINC001240438149 780166516 /nfs/dbraw/zinc/16/65/16/780166516.db2.gz BNLAMBWKIXSBHC-JXAWBTAJSA-N -1 3 264.288 2.521 20 30 CFEDHM [O-]N=Cc1ccccc1-c1ccc(N2CCOCC2)cc1 ZINC001240768672 780428994 /nfs/dbraw/zinc/42/89/94/780428994.db2.gz YHEAPHXNTNLSKH-UHFFFAOYSA-N -1 3 282.343 2.998 20 30 CFEDHM C#Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001241921247 781183079 /nfs/dbraw/zinc/18/30/79/781183079.db2.gz JCQPLDWYAADITC-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM C#Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001241921247 781183085 /nfs/dbraw/zinc/18/30/85/781183085.db2.gz JCQPLDWYAADITC-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001242315821 781393851 /nfs/dbraw/zinc/39/38/51/781393851.db2.gz AVAUKMAMLCXTOU-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001242315821 781393855 /nfs/dbraw/zinc/39/38/55/781393855.db2.gz AVAUKMAMLCXTOU-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM Cc1cccc(-c2ncnc3[nH]cc(C#N)c32)c1[O-] ZINC001242343014 781415145 /nfs/dbraw/zinc/41/51/45/781415145.db2.gz 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/nfs/dbraw/zinc/60/32/38/781603238.db2.gz VLKAWQBMZWPSMA-UHFFFAOYSA-N -1 3 253.305 2.700 20 30 CFEDHM CC(=O)N1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242564479 781604022 /nfs/dbraw/zinc/60/40/22/781604022.db2.gz BZVXZFFSMXZDJC-UHFFFAOYSA-N -1 3 278.311 2.840 20 30 CFEDHM N#Cc1cc(-c2cc([O-])ccc2F)nc(C2CC2)n1 ZINC001242763562 781747181 /nfs/dbraw/zinc/74/71/81/781747181.db2.gz UYAYWYPVYNMYPV-UHFFFAOYSA-N -1 3 255.252 2.737 20 30 CFEDHM Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C#N ZINC001242767547 781752229 /nfs/dbraw/zinc/75/22/29/781752229.db2.gz BLMKPWAKKZIVFO-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C#N ZINC001242767547 781752233 /nfs/dbraw/zinc/75/22/33/781752233.db2.gz BLMKPWAKKZIVFO-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM COc1nccc(-c2ccc(/C(C)=N/[O-])cc2)c1OC ZINC001242963757 781883730 /nfs/dbraw/zinc/88/37/30/781883730.db2.gz ZETUUHUYEODEQP-LICLKQGHSA-N -1 3 272.304 2.964 20 30 CFEDHM Cc1cc(-c2cc([O-])cc(OC(F)(F)F)c2)nc(C#N)n1 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CCc1c(-c2cccc(C)c2)[n-]n(C[C@H](C)C#N)c1=O ZINC000601933536 350806541 /nfs/dbraw/zinc/80/65/41/350806541.db2.gz RAADOAZULNLSSG-OCCSQVGLSA-N -1 3 269.348 2.727 20 30 CFEDHM CC(C)c1c(-c2ccccc2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601935646 350807443 /nfs/dbraw/zinc/80/74/43/350807443.db2.gz LHCJTIYMVNRWEM-JSGCOSHPSA-N -1 3 269.348 2.807 20 30 CFEDHM C=C[C@](C)(O)C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000612756858 351858881 /nfs/dbraw/zinc/85/88/81/351858881.db2.gz ZYXMDVCMSAWRDI-HNNXBMFYSA-N -1 3 263.337 2.565 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC000291899103 198099799 /nfs/dbraw/zinc/09/97/99/198099799.db2.gz QDHVTESRXFIKNU-UHFFFAOYSA-N -1 3 280.349 2.844 20 30 CFEDHM C=C[C@@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000614488486 352099551 /nfs/dbraw/zinc/09/95/51/352099551.db2.gz MNDLXDVFIIVCOP-OAHLLOKOSA-N -1 3 263.337 2.565 20 30 CFEDHM CCc1ccc(C(=O)NCc2ccc(C#N)cc2F)c([O-])c1 ZINC000615754451 352239883 /nfs/dbraw/zinc/23/98/83/352239883.db2.gz JTLAWWLHJWXTCE-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM C=CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@H](C)COC ZINC000617580791 352596188 /nfs/dbraw/zinc/59/61/88/352596188.db2.gz FTUOBAIWQDRHTG-GFCCVEGCSA-N -1 3 277.364 2.672 20 30 CFEDHM C=CCN(C(=O)c1cc([O-])ccc1Cl)[C@H](C)COC ZINC000617582686 352597530 /nfs/dbraw/zinc/59/75/30/352597530.db2.gz SBJBHWUPMWKHOW-SNVBAGLBSA-N -1 3 283.755 2.709 20 30 CFEDHM C=CCC1(NC(=O)c2ccc(C)c(C)c2[O-])CCOCC1 ZINC000618249128 352738527 /nfs/dbraw/zinc/73/85/27/352738527.db2.gz HQOCGYUCCUFGJH-UHFFFAOYSA-N -1 3 289.375 2.864 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000625326121 354022805 /nfs/dbraw/zinc/02/28/05/354022805.db2.gz LGXWGWRWQVBILH-UHFFFAOYSA-N -1 3 273.423 2.937 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000625327821 354023822 /nfs/dbraw/zinc/02/38/22/354023822.db2.gz LSCROVBHGSSDLL-UHFFFAOYSA-N -1 3 288.800 2.616 20 30 CFEDHM C=CCCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629221659 354774810 /nfs/dbraw/zinc/77/48/10/354774810.db2.gz VBQYUJXYQCSGRX-UHFFFAOYSA-N -1 3 278.381 2.907 20 30 CFEDHM Cc1ccc(C#N)cc1NC([O-])=NOC1CCCC1 ZINC000271780660 191322964 /nfs/dbraw/zinc/32/29/64/191322964.db2.gz HPXYUWSJTZOPNV-UHFFFAOYSA-N -1 3 259.309 2.862 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)[N-]OC1CCCC1 ZINC000271780660 191322967 /nfs/dbraw/zinc/32/29/67/191322967.db2.gz HPXYUWSJTZOPNV-UHFFFAOYSA-N -1 3 259.309 2.862 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000294499645 199062947 /nfs/dbraw/zinc/06/29/47/199062947.db2.gz BKILMLGVSMVLAN-BONVTDFDSA-N -1 3 283.318 2.741 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000351074749 540485623 /nfs/dbraw/zinc/48/56/23/540485623.db2.gz KFHBYIQFAJONCE-NEPJUHHUSA-N -1 3 258.277 2.501 20 30 CFEDHM Cc1nc(C(=O)[N-]c2scc(C)c2C#N)c(C)o1 ZINC000297638348 200248866 /nfs/dbraw/zinc/24/88/66/200248866.db2.gz DFRNKCWPWYMZQI-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM C#C[C@@H](C)NCc1cc(Cl)c([O-])c(OCC)c1 ZINC000298218333 200363532 /nfs/dbraw/zinc/36/35/32/200363532.db2.gz ZXYZOUSXVUTXCJ-SECBINFHSA-N 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HHELYSBDDMPUBC-MRVPVSSYSA-N -1 3 277.230 2.806 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)n2C)n1 ZINC000041518007 372845087 /nfs/dbraw/zinc/84/50/87/372845087.db2.gz WHRGDIBUALQUQJ-JTQLQIEISA-N -1 3 259.334 2.589 20 30 CFEDHM N#CCCN(CC1CC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000264021456 383691566 /nfs/dbraw/zinc/69/15/66/383691566.db2.gz GQWGMMYQCNZYQK-UHFFFAOYSA-N -1 3 295.342 2.706 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCC1 ZINC000451747303 383698367 /nfs/dbraw/zinc/69/83/67/383698367.db2.gz ZDOHBPLDDOJECE-UHFFFAOYSA-N -1 3 296.367 2.698 20 30 CFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000070431831 374173800 /nfs/dbraw/zinc/17/38/00/374173800.db2.gz WIRHQOHDBYESQS-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1nc(C)ccc1[O-] ZINC000103501641 375753741 /nfs/dbraw/zinc/75/37/41/375753741.db2.gz DKWASKMIWOCPDE-INIZCTEOSA-N -1 3 295.342 2.848 20 30 CFEDHM COc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000106353723 375797705 /nfs/dbraw/zinc/79/77/05/375797705.db2.gz IYDZGGNDJFCNNY-SECBINFHSA-N -1 3 258.302 2.642 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000122686831 376936961 /nfs/dbraw/zinc/93/69/61/376936961.db2.gz NJNHZYKYEJSRRU-UHFFFAOYSA-N -1 3 280.176 2.848 20 30 CFEDHM CCC1(CC)[C@H](/N=C/c2ccc(O)c([O-])c2O)C[C@@H]1OC ZINC000130120335 377512445 /nfs/dbraw/zinc/51/24/45/377512445.db2.gz ITXHDDAQYFYOKS-OHXOBVGHSA-N -1 3 293.363 2.816 20 30 CFEDHM CCS[C@@H]1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000328795972 378425463 /nfs/dbraw/zinc/42/54/63/378425463.db2.gz CUNRVAWOEFXIIK-BBBLOLIVSA-N -1 3 299.396 2.650 20 30 CFEDHM O=C(CC1CCCC1)NCCNC(=O)c1csc(=O)[n-]1 ZINC000329896622 378509947 /nfs/dbraw/zinc/50/99/47/378509947.db2.gz CNUFPQPPIKSBHN-UHFFFAOYSA-N -1 3 297.380 2.690 20 30 CFEDHM CS[C@@H]1CCC[C@@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329897851 378511880 /nfs/dbraw/zinc/51/18/80/378511880.db2.gz DFEFMXIKJQFRHH-HTQZYQBOSA-N -1 3 272.395 2.828 20 30 CFEDHM O=C(NCc1ccn(C2CCCC2)n1)c1csc(=O)[n-]1 ZINC000329923972 378513976 /nfs/dbraw/zinc/51/39/76/378513976.db2.gz HIJVVKFUGROUKW-UHFFFAOYSA-N -1 3 292.364 2.665 20 30 CFEDHM COCc1nc(C)c(C(=O)[N-]c2c(C)noc2C)s1 ZINC000330476632 378565904 /nfs/dbraw/zinc/56/59/04/378565904.db2.gz KXSSIAHGYJSMPW-UHFFFAOYSA-N -1 3 281.337 2.839 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CC(C)C ZINC000155554804 378629755 /nfs/dbraw/zinc/62/97/55/378629755.db2.gz HSPUJQCPOGRDIK-CYBMUJFWSA-N -1 3 282.347 2.733 20 30 CFEDHM C=CCN(Cc1cccs1)Cc1nc(CC)cc(=O)[n-]1 ZINC000160562332 378782768 /nfs/dbraw/zinc/78/27/68/378782768.db2.gz MDMQUCJGPKANJD-UHFFFAOYSA-N -1 3 289.404 2.994 20 30 CFEDHM C[C@H](CC#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000334407030 379243245 /nfs/dbraw/zinc/24/32/45/379243245.db2.gz GXIKRHJQDUJWSJ-SNVBAGLBSA-N -1 3 254.289 2.577 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2cncs2)s1 ZINC000334466293 379349707 /nfs/dbraw/zinc/34/97/07/379349707.db2.gz VKVFTNWVQWSQIE-UHFFFAOYSA-N -1 3 263.347 2.891 20 30 CFEDHM CC[C@H](/N=C/c1c([O-])ccc2ccccc21)C(=O)OC ZINC000176449566 380237086 /nfs/dbraw/zinc/23/70/86/380237086.db2.gz YIWFDJVJCKPEEN-FBJMNJBLSA-N -1 3 271.316 2.916 20 30 CFEDHM CC(C)CCN(CCC#N)C(=O)c1ccccc1[O-] ZINC000179542007 380553974 /nfs/dbraw/zinc/55/39/74/380553974.db2.gz GDQGVTVAHOFOKK-UHFFFAOYSA-N -1 3 260.337 2.794 20 30 CFEDHM N#CCCN(Cc1ccccn1)Cc1cc(F)ccc1[O-] ZINC000180077036 380618642 /nfs/dbraw/zinc/61/86/42/380618642.db2.gz JVWBFXQMXCNVIH-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM N#Cc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000180861368 380706895 /nfs/dbraw/zinc/70/68/95/380706895.db2.gz KCRAWJQBOSYWJZ-UHFFFAOYSA-N -1 3 270.263 2.584 20 30 CFEDHM N#Cc1ccc(CCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183255940 381244405 /nfs/dbraw/zinc/24/44/05/381244405.db2.gz SDVSBPOWEIYNMZ-UHFFFAOYSA-N -1 3 284.290 2.974 20 30 CFEDHM CCCOc1ccc(CN[C@@H](CC)CC#N)c([O-])c1 ZINC000184095007 262008762 /nfs/dbraw/zinc/00/87/62/262008762.db2.gz GXJCWQHWFAEGMF-ZDUSSCGKSA-N -1 3 262.353 2.963 20 30 CFEDHM C#CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000291219628 381711784 /nfs/dbraw/zinc/71/17/84/381711784.db2.gz JJUYTIILRKMETO-WDEREUQCSA-N -1 3 284.142 2.778 20 30 CFEDHM Cc1nsc([N-]c2cc(C3CC3)n(C)n2)c1C#N ZINC000291188463 381701117 /nfs/dbraw/zinc/70/11/17/381701117.db2.gz SMJMIBHVHNLAAA-UHFFFAOYSA-N -1 3 259.338 2.678 20 30 CFEDHM Cc1c(Cl)cnc(NCc2ccc([O-])c(F)c2)c1C#N ZINC000343508644 381760527 /nfs/dbraw/zinc/76/05/27/381760527.db2.gz ITFJVZLJRZSEEL-UHFFFAOYSA-N -1 3 291.713 2.794 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)c2c([O-])cccc21 ZINC000186259222 381868618 /nfs/dbraw/zinc/86/86/18/381868618.db2.gz UUUYKQWIRYHPNY-LLVKDONJSA-N -1 3 293.326 2.813 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000186440020 381911262 /nfs/dbraw/zinc/91/12/62/381911262.db2.gz SVUZBNAJOTURMS-SECBINFHSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000186440020 381911264 /nfs/dbraw/zinc/91/12/64/381911264.db2.gz SVUZBNAJOTURMS-SECBINFHSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000186440020 381911272 /nfs/dbraw/zinc/91/12/72/381911272.db2.gz SVUZBNAJOTURMS-SECBINFHSA-N -1 3 274.324 2.914 20 30 CFEDHM C=CCC[C@@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000186450773 381915416 /nfs/dbraw/zinc/91/54/16/381915416.db2.gz TXVZFRQJSROGOD-CYBMUJFWSA-N -1 3 274.389 2.955 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(SC)c1C ZINC000416955971 381976623 /nfs/dbraw/zinc/97/66/23/381976623.db2.gz MRVPHXNRYCHBDE-SNVBAGLBSA-N -1 3 284.406 2.761 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000373368861 381988402 /nfs/dbraw/zinc/98/84/02/381988402.db2.gz IFJHGPXLINCOJA-LLVKDONJSA-N -1 3 284.363 2.743 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000343928593 382025035 /nfs/dbraw/zinc/02/50/35/382025035.db2.gz PAIYCGLMKMWQAG-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000343928593 382025039 /nfs/dbraw/zinc/02/50/39/382025039.db2.gz PAIYCGLMKMWQAG-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000343928593 382025044 /nfs/dbraw/zinc/02/50/44/382025044.db2.gz PAIYCGLMKMWQAG-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000293538104 382164355 /nfs/dbraw/zinc/16/43/55/382164355.db2.gz ZKBARABQQNUGTM-UHFFFAOYSA-N -1 3 289.351 2.663 20 30 CFEDHM COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1[O-] ZINC000357585310 382239673 /nfs/dbraw/zinc/23/96/73/382239673.db2.gz VKZFFWYAUUOBGQ-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311799231 382508910 /nfs/dbraw/zinc/50/89/10/382508910.db2.gz DOLNCIYMQHCJIB-GFCCVEGCSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)CCOC ZINC000191571188 382701427 /nfs/dbraw/zinc/70/14/27/382701427.db2.gz SQKZZLSCYWTDJH-UHFFFAOYSA-N -1 3 297.420 2.927 20 30 CFEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccc1)c1ccccn1 ZINC000193253925 382717463 /nfs/dbraw/zinc/71/74/63/382717463.db2.gz BCXQUVYPRKAKKW-ZDUSSCGKSA-N -1 3 288.310 2.962 20 30 CFEDHM COC(=O)c1cnc(S[C@H](C)c2cccc(C#N)c2)[n-]1 ZINC000193541121 382720823 /nfs/dbraw/zinc/72/08/23/382720823.db2.gz KBSFWASLZNXPLJ-SECBINFHSA-N -1 3 287.344 2.921 20 30 CFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccccc1[O-] ZINC000338163893 382939633 /nfs/dbraw/zinc/93/96/33/382939633.db2.gz WHRZXIUAJWGJPK-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000578827149 382957944 /nfs/dbraw/zinc/95/79/44/382957944.db2.gz ICXSZKHETYOXNT-KRWDZBQOSA-N -1 3 284.359 2.693 20 30 CFEDHM Cc1ccc2c(CN(C)C[C@H](C)C#N)ccc([O-])c2n1 ZINC000338233508 382959057 /nfs/dbraw/zinc/95/90/57/382959057.db2.gz AXGWCAIATXVLBK-LLVKDONJSA-N -1 3 269.348 2.840 20 30 CFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000544621190 382975893 /nfs/dbraw/zinc/97/58/93/382975893.db2.gz VWTQTIMJLMERRO-UHFFFAOYSA-N -1 3 293.175 2.574 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1C ZINC000338315096 382989418 /nfs/dbraw/zinc/98/94/18/382989418.db2.gz KNSHGDWSEHSPDD-CQSZACIVSA-N -1 3 282.347 2.539 20 30 CFEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(N(C)C(=O)OC)cc1 ZINC000496236647 383078877 /nfs/dbraw/zinc/07/88/77/383078877.db2.gz WXJPUZUBGWHVPT-SNVBAGLBSA-N -1 3 293.323 2.517 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000496236647 383078880 /nfs/dbraw/zinc/07/88/80/383078880.db2.gz WXJPUZUBGWHVPT-SNVBAGLBSA-N -1 3 293.323 2.517 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000448540756 383063672 /nfs/dbraw/zinc/06/36/72/383063672.db2.gz BWPLKYFKISKERL-ZDUSSCGKSA-N -1 3 290.326 2.767 20 30 CFEDHM CCc1cccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000579556651 383027130 /nfs/dbraw/zinc/02/71/30/383027130.db2.gz YRSIQTIUBUTPPM-AAEUAGOBSA-N -1 3 272.348 2.767 20 30 CFEDHM CCN(Cc1c(F)ccc([O-])c1F)C[C@H](C)C#N ZINC000507583932 383146051 /nfs/dbraw/zinc/14/60/51/383146051.db2.gz QAEXDHDZNNBQRK-SECBINFHSA-N -1 3 254.280 2.652 20 30 CFEDHM CC(=O)c1cccc(NC(=O)c2ccc(CC#N)cc2)c1[O-] ZINC000556893231 383153177 /nfs/dbraw/zinc/15/31/77/383153177.db2.gz TZBGKFWQJPFADU-UHFFFAOYSA-N -1 3 294.310 2.913 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000567249159 383256902 /nfs/dbraw/zinc/25/69/02/383256902.db2.gz ZGLMTOVDUKEJGW-KCJUWKMLSA-N -1 3 267.712 2.575 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1cccc2ncccc12 ZINC000427752877 383415552 /nfs/dbraw/zinc/41/55/52/383415552.db2.gz ACKCPKAMJSBSHF-UHFFFAOYSA-N -1 3 276.361 2.943 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1cc2c(cn1)CCCC2 ZINC000427773840 383415090 /nfs/dbraw/zinc/41/50/90/383415090.db2.gz NCUHEEBQVGDABC-UHFFFAOYSA-N -1 3 280.393 2.668 20 30 CFEDHM CC1(C)C[C@@]1(C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000427895923 383417819 /nfs/dbraw/zinc/41/78/19/383417819.db2.gz UITABDNBJRHQFT-INIZCTEOSA-N -1 3 290.338 2.662 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000340885893 383498415 /nfs/dbraw/zinc/49/84/15/383498415.db2.gz MUADVLPTLOJTKV-ZETCQYMHSA-N -1 3 280.176 2.846 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccsc3)nc1-2 ZINC000429583622 383551601 /nfs/dbraw/zinc/55/16/01/383551601.db2.gz BSSZGMUEEDUWRF-SNVBAGLBSA-N -1 3 282.328 2.818 20 30 CFEDHM N#CCCC[C@H](N=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000431145165 383633780 /nfs/dbraw/zinc/63/37/80/383633780.db2.gz WQBGIDRKYMPFMJ-AWEZNQCLSA-N -1 3 292.346 2.573 20 30 CFEDHM CS[C@@H]1CCC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000265264227 383878626 /nfs/dbraw/zinc/87/86/26/383878626.db2.gz BGKZQRVKNAWWEI-OXZYWCBISA-N -1 3 294.420 2.681 20 30 CFEDHM N#CCC1(CNC(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000436999443 383900283 /nfs/dbraw/zinc/90/02/83/383900283.db2.gz LRHUMLFDPHFTEH-UHFFFAOYSA-N -1 3 284.359 2.695 20 30 CFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267953417 384497131 /nfs/dbraw/zinc/49/71/31/384497131.db2.gz CAAITJPRICXAII-CQSZACIVSA-N -1 3 283.331 2.608 20 30 CFEDHM CCOc1ccc(C#N)cc1NC([O-])=NOCC(C)C ZINC000269698390 384841955 /nfs/dbraw/zinc/84/19/55/384841955.db2.gz PEUXMLQICJCDII-UHFFFAOYSA-N -1 3 277.324 2.666 20 30 CFEDHM CCOc1ccc(C#N)cc1NC(=O)[N-]OCC(C)C ZINC000269698390 384841960 /nfs/dbraw/zinc/84/19/60/384841960.db2.gz PEUXMLQICJCDII-UHFFFAOYSA-N -1 3 277.324 2.666 20 30 CFEDHM C=C1CC(C)(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)C1 ZINC000639614447 385612789 /nfs/dbraw/zinc/61/27/89/385612789.db2.gz CCJSQEAMXCBECS-UHFFFAOYSA-N -1 3 297.358 2.802 20 30 CFEDHM CCn1nccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000681352584 542442796 /nfs/dbraw/zinc/44/27/96/542442796.db2.gz WGAHJQVEQJHKLL-CYBMUJFWSA-N -1 3 290.326 2.941 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/SCc1ccco1 ZINC000493455870 262268619 /nfs/dbraw/zinc/26/86/19/262268619.db2.gz OKLTXUUPZZHQPU-QEHWCHDUSA-N -1 3 253.323 2.649 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC000281606684 195306860 /nfs/dbraw/zinc/30/68/60/195306860.db2.gz WHEAAUGGZWFDPY-CJNGLKHVSA-N -1 3 289.375 2.666 20 30 CFEDHM C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)c2c([O-])cccc21 ZINC000186307858 393543812 /nfs/dbraw/zinc/54/38/12/393543812.db2.gz GIAUYVJBCAUJRT-JTQLQIEISA-N -1 3 281.315 2.746 20 30 CFEDHM C=C(C)CN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000345728849 393915135 /nfs/dbraw/zinc/91/51/35/393915135.db2.gz DOGJCRIZBOJWJR-UHFFFAOYSA-N -1 3 298.180 2.732 20 30 CFEDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000416547506 393926250 /nfs/dbraw/zinc/92/62/50/393926250.db2.gz LTWQCGRMGALLKM-NWDGAFQWSA-N -1 3 298.795 2.534 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1CC1(C)C ZINC000416647457 393936238 /nfs/dbraw/zinc/93/62/38/393936238.db2.gz MFONUUBUEMCDPK-WDEREUQCSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000416943820 393946626 /nfs/dbraw/zinc/94/66/26/393946626.db2.gz UIIUOWBPBNVWQG-CQSZACIVSA-N -1 3 296.392 2.655 20 30 CFEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1ccccn1 ZINC000434628207 394016987 /nfs/dbraw/zinc/01/69/87/394016987.db2.gz ONOGOCOQISXRKD-NSHDSACASA-N -1 3 278.271 2.555 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(C)c1F ZINC000417610232 393983065 /nfs/dbraw/zinc/98/30/65/393983065.db2.gz MVSIYKBNIRANKW-GFCCVEGCSA-N -1 3 251.301 2.643 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(OCC)c(F)c1 ZINC000417617166 393984459 /nfs/dbraw/zinc/98/44/59/393984459.db2.gz ZVQYVAIVYYTRFX-GFCCVEGCSA-N -1 3 281.327 2.733 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(F)ccc1C ZINC000417621861 393985125 /nfs/dbraw/zinc/98/51/25/393985125.db2.gz GNVRLMBCWKVJBG-ZDUSSCGKSA-N -1 3 251.301 2.643 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1coc2ccccc12 ZINC000417624646 393985818 /nfs/dbraw/zinc/98/58/18/393985818.db2.gz KXQUXAMDUPVAFL-GFCCVEGCSA-N -1 3 259.305 2.942 20 30 CFEDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000126322870 394025611 /nfs/dbraw/zinc/02/56/11/394025611.db2.gz QOFFEXIHLRWZMN-ZWNOBZJWSA-N -1 3 296.367 2.554 20 30 CFEDHM CCOC(=O)Nc1ccc(OC(=O)c2ccc(C#N)[n-]2)cc1 ZINC000127835116 394057644 /nfs/dbraw/zinc/05/76/44/394057644.db2.gz MTRVCZRDTIQBDU-UHFFFAOYSA-N -1 3 299.286 2.674 20 30 CFEDHM C=CCCC1(C(=O)Nc2nnc(-c3ccccn3)[n-]2)CC1 ZINC000359248087 394128060 /nfs/dbraw/zinc/12/80/60/394128060.db2.gz AVSQVJBDANPWTB-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C=CCCC1(C(=O)Nc2nc(-c3ccccn3)n[n-]2)CC1 ZINC000359248087 394128061 /nfs/dbraw/zinc/12/80/61/394128061.db2.gz AVSQVJBDANPWTB-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C=CCCC1(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000359248087 394128063 /nfs/dbraw/zinc/12/80/63/394128063.db2.gz AVSQVJBDANPWTB-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM CCc1cc(C(=O)N(CC)C[C@@H](C)C#N)ccc1[O-] ZINC000362551518 394187832 /nfs/dbraw/zinc/18/78/32/394187832.db2.gz IXAVNBRZTNWUFU-NSHDSACASA-N -1 3 260.337 2.576 20 30 CFEDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156085928 394328695 /nfs/dbraw/zinc/32/86/95/394328695.db2.gz MSKAQRXMGXOWKG-GWCFXTLKSA-N -1 3 296.367 2.554 20 30 CFEDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156086156 394328748 /nfs/dbraw/zinc/32/87/48/394328748.db2.gz MSKAQRXMGXOWKG-GXFFZTMASA-N -1 3 296.367 2.554 20 30 CFEDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156086051 394328928 /nfs/dbraw/zinc/32/89/28/394328928.db2.gz MSKAQRXMGXOWKG-ZWNOBZJWSA-N -1 3 296.367 2.554 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000166996165 394369951 /nfs/dbraw/zinc/36/99/51/394369951.db2.gz SMCMFWGMQMAHFJ-LLVKDONJSA-N -1 3 283.331 2.671 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000537181516 394576649 /nfs/dbraw/zinc/57/66/49/394576649.db2.gz CAAAPJCZVBLJMT-JTQLQIEISA-N -1 3 289.347 2.988 20 30 CFEDHM C=CC(C)(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431285 395139408 /nfs/dbraw/zinc/13/94/08/395139408.db2.gz PIXCHMPKMIKHQB-UHFFFAOYSA-N -1 3 295.692 2.671 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000657037811 413296154 /nfs/dbraw/zinc/29/61/54/413296154.db2.gz KFBWGANKYVVYHW-OLZOCXBDSA-N -1 3 298.408 2.705 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000657036839 413296572 /nfs/dbraw/zinc/29/65/72/413296572.db2.gz OWFGVRXIDUGPHY-GHMZBOCLSA-N -1 3 286.422 2.556 20 30 CFEDHM CCc1cc(C(=O)NCc2cc(C#N)ccc2F)ccc1[O-] ZINC000362866318 156102479 /nfs/dbraw/zinc/10/24/79/156102479.db2.gz IEYMMPSWYSNMBI-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1ccncn1 ZINC000651339958 413412086 /nfs/dbraw/zinc/41/20/86/413412086.db2.gz BGSNDYXZPKMKLY-LBPRGKRZSA-N -1 3 266.304 2.562 20 30 CFEDHM C[C@@H](CCC#N)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663154161 414655170 /nfs/dbraw/zinc/65/51/70/414655170.db2.gz GKTBVDCMNZAXES-ZDUSSCGKSA-N -1 3 286.375 2.979 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccccc1F ZINC000660143755 414670256 /nfs/dbraw/zinc/67/02/56/414670256.db2.gz XZMWNIMDXKSSTO-UHFFFAOYSA-N -1 3 271.357 2.849 20 30 CFEDHM C=CCN[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000051960699 175528567 /nfs/dbraw/zinc/52/85/67/175528567.db2.gz IAAJDNFAUQJYKP-SNVBAGLBSA-N -1 3 259.227 2.607 20 30 CFEDHM N#CC(=C([O-])c1cnc2ccc(F)cc2c1)c1ccncn1 ZINC000354466267 227002923 /nfs/dbraw/zinc/00/29/23/227002923.db2.gz MQDZSUGAXQATMJ-CYBMUJFWSA-N -1 3 292.273 2.654 20 30 CFEDHM Cn1cc([C@H](NC(=O)c2csc(=O)[n-]2)C(C)(C)C)cn1 ZINC000329993653 228010092 /nfs/dbraw/zinc/01/00/92/228010092.db2.gz YNVHSGRFNRAYIS-JTQLQIEISA-N -1 3 294.380 2.674 20 30 CFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCC2CCCC2)C1 ZINC000333656003 228208558 /nfs/dbraw/zinc/20/85/58/228208558.db2.gz FVTUUHZHYBUJPY-ZFWWWQNUSA-N -1 3 298.452 2.959 20 30 CFEDHM CCCCNc1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001154827377 782030512 /nfs/dbraw/zinc/03/05/12/782030512.db2.gz HGSZYWBRWGZPHY-AWNIVKPZSA-N -1 3 274.777 2.872 20 30 CFEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C1CCCCC1 ZINC000040365816 260224740 /nfs/dbraw/zinc/22/47/40/260224740.db2.gz IWHSGEOFZWRYPX-CYBMUJFWSA-N -1 3 296.367 2.576 20 30 CFEDHM CCc1noc(CC)c1C/N=C/c1ccc(O)c([O-])c1O ZINC000086960992 260399698 /nfs/dbraw/zinc/39/96/98/260399698.db2.gz NXKBCIPPYYUXBE-FRKPEAEDSA-N -1 3 290.319 2.535 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000152165247 261060774 /nfs/dbraw/zinc/06/07/74/261060774.db2.gz FMHJYOXNSPDJHF-BZNIZROVSA-N -1 3 288.347 2.603 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C)cc1 ZINC000155283087 261100108 /nfs/dbraw/zinc/10/01/08/261100108.db2.gz YPCLLICUASYIDO-LBPRGKRZSA-N -1 3 296.317 2.841 20 30 CFEDHM Cc1csc([C@@H](C)C/N=C/c2ccc(O)c([O-])c2O)n1 ZINC000182164390 261927118 /nfs/dbraw/zinc/92/71/18/261927118.db2.gz MKFSQQVWQWSDLJ-VLYAYIKJSA-N -1 3 292.360 2.791 20 30 CFEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354464627 262173542 /nfs/dbraw/zinc/17/35/42/262173542.db2.gz IUYDDDYFTRJWGZ-CYBMUJFWSA-N -1 3 251.289 2.584 20 30 CFEDHM C=C(C)[C@H](CC(=O)N=c1cc(-c2ccccc2)[n-][nH]1)OCC ZINC000339586448 262654352 /nfs/dbraw/zinc/65/43/52/262654352.db2.gz ISUTYSABKZRPKC-HNNXBMFYSA-N -1 3 299.374 2.808 20 30 CFEDHM COc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1[O-] ZINC000272593485 263007394 /nfs/dbraw/zinc/00/73/94/263007394.db2.gz IZRIXPCGBJIUOS-BZNIZROVSA-N -1 3 288.347 2.603 20 30 CFEDHM CCOc1cc(-c2noc(C3(C#N)CCC3)n2)ccc1[O-] ZINC000277856152 263044035 /nfs/dbraw/zinc/04/40/35/263044035.db2.gz JTQHAEUUBAMADQ-UHFFFAOYSA-N -1 3 285.303 2.786 20 30 CFEDHM COc1cc(-c2noc(CC(C)(C)C#N)n2)ccc1[O-] ZINC000279107555 263053057 /nfs/dbraw/zinc/05/30/57/263053057.db2.gz XYFLYCJKHVLWAQ-UHFFFAOYSA-N -1 3 273.292 2.543 20 30 CFEDHM C=CCOCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000340313735 263109812 /nfs/dbraw/zinc/10/98/12/263109812.db2.gz OCGWKNOERCMVBJ-UHFFFAOYSA-N -1 3 275.226 2.552 20 30 CFEDHM N#C[C@@]1(C(=O)Nc2ccccc2[O-])CC12CCCC2 ZINC000294707334 263166339 /nfs/dbraw/zinc/16/63/39/263166339.db2.gz ZJZZLQFLHXYJFS-OAHLLOKOSA-N -1 3 256.305 2.805 20 30 CFEDHM C=CCOc1cccnc1C([O-])=C(C#N)c1ccccn1 ZINC000341506961 263340150 /nfs/dbraw/zinc/34/01/50/263340150.db2.gz NRTGOGRHHURMIP-LBPRGKRZSA-N -1 3 279.299 2.531 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@]2(C)CCO[C@H]2C)c1 ZINC000330811419 264044966 /nfs/dbraw/zinc/04/49/66/264044966.db2.gz KMKIBJCHRWOOPF-ZUZCIYMTSA-N -1 3 263.337 2.827 20 30 CFEDHM CCSCC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000330989286 264104382 /nfs/dbraw/zinc/10/43/82/264104382.db2.gz REBFEIKDBUTAAO-ZETCQYMHSA-N -1 3 260.384 2.685 20 30 CFEDHM CCN1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000331229873 264152093 /nfs/dbraw/zinc/15/20/93/264152093.db2.gz GVDYMRACSAUTOY-LBPRGKRZSA-N -1 3 262.353 2.571 20 30 CFEDHM CCc1ccc(C(=O)NC2(CCO)CCCC2)c([O-])c1 ZINC000331239702 264176116 /nfs/dbraw/zinc/17/61/16/264176116.db2.gz OPVOQVMAXSIZCF-UHFFFAOYSA-N -1 3 277.364 2.954 20 30 CFEDHM CC(C)c1ccc(C(=O)NC[C@@H](O)C(C)C)c([O-])c1 ZINC000331239650 264176467 /nfs/dbraw/zinc/17/64/67/264176467.db2.gz OMKYSGSEVYDMAY-CQSZACIVSA-N -1 3 265.353 2.837 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@H](CO)C(C)C)c([O-])c1 ZINC000331246188 264179542 /nfs/dbraw/zinc/17/95/42/264179542.db2.gz RXKSNGLZQQLMFT-CYBMUJFWSA-N -1 3 265.353 2.837 20 30 CFEDHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000331343538 264196332 /nfs/dbraw/zinc/19/63/32/264196332.db2.gz LANUPDQPPJYLCH-ZFWWWQNUSA-N -1 3 291.347 2.857 20 30 CFEDHM CN(CC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094072588 265214440 /nfs/dbraw/zinc/21/44/40/265214440.db2.gz KEYBKJCKZLHQJP-UHFFFAOYSA-N -1 3 280.327 2.579 20 30 CFEDHM N#CC1(CSc2n[n-]c(-c3ccccn3)n2)CCC1 ZINC000519311163 265389343 /nfs/dbraw/zinc/38/93/43/265389343.db2.gz ZNBXUVFOPJBTCH-UHFFFAOYSA-N -1 3 271.349 2.653 20 30 CFEDHM C=CCCC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000371081847 267350264 /nfs/dbraw/zinc/35/02/64/267350264.db2.gz TZTDVJSGKKFBMI-UHFFFAOYSA-N -1 3 278.262 2.655 20 30 CFEDHM C=CCCC(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000371081847 267350269 /nfs/dbraw/zinc/35/02/69/267350269.db2.gz TZTDVJSGKKFBMI-UHFFFAOYSA-N -1 3 278.262 2.655 20 30 CFEDHM C=CCCC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000371081847 267350272 /nfs/dbraw/zinc/35/02/72/267350272.db2.gz TZTDVJSGKKFBMI-UHFFFAOYSA-N -1 3 278.262 2.655 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C#N)cc2C)nc(C)n1 ZINC000439556217 268020836 /nfs/dbraw/zinc/02/08/36/268020836.db2.gz KCIRTHVICXZNMS-HNNXBMFYSA-N -1 3 290.326 2.764 20 30 CFEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1ncccc1[O-] ZINC000566137966 290352381 /nfs/dbraw/zinc/35/23/81/290352381.db2.gz VQQTXFIIXJUWSH-GFCCVEGCSA-N -1 3 267.332 2.852 20 30 CFEDHM Cc1sc([N-]C(=O)c2cscn2)c(C#N)c1C ZINC000059894957 294078328 /nfs/dbraw/zinc/07/83/28/294078328.db2.gz WVXBVCIUXSCPHD-UHFFFAOYSA-N -1 3 263.347 2.945 20 30 CFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000332198984 294843645 /nfs/dbraw/zinc/84/36/45/294843645.db2.gz WSRWBYZYWPZGQM-SMDDNHRTSA-N -1 3 284.359 2.693 20 30 CFEDHM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1ccccn1 ZINC000102118869 327683121 /nfs/dbraw/zinc/68/31/21/327683121.db2.gz GGSSXLOKILKALX-CYBMUJFWSA-N -1 3 281.271 2.788 20 30 CFEDHM CCOc1cc(CNCC2(C#N)CC2)cc(Cl)c1[O-] ZINC000582286937 328950458 /nfs/dbraw/zinc/95/04/58/328950458.db2.gz KUTCFGMTVKITQO-UHFFFAOYSA-N -1 3 280.755 2.838 20 30 CFEDHM C[C@H](C#N)CN(C)Cc1cc([O-])ccc1Br ZINC000271136739 328194938 /nfs/dbraw/zinc/19/49/38/328194938.db2.gz RSYXQITUSXAGKF-SECBINFHSA-N -1 3 283.169 2.746 20 30 CFEDHM N#Cc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000350488882 324219676 /nfs/dbraw/zinc/21/96/76/324219676.db2.gz RTDMVKAEBKYOLL-UHFFFAOYSA-N -1 3 288.270 2.547 20 30 CFEDHM C#C[C@@H](CC)NCc1cc([O-])ccc1Br ZINC000309214533 326900834 /nfs/dbraw/zinc/90/08/34/326900834.db2.gz UEAFUXXJRYZIRP-JTQLQIEISA-N -1 3 268.154 2.656 20 30 CFEDHM CCCOc1ccc(CN(CC#N)CCC)c([O-])c1 ZINC000092398388 327194078 /nfs/dbraw/zinc/19/40/78/327194078.db2.gz GRRDQFXJYIQGKG-UHFFFAOYSA-N -1 3 262.353 2.917 20 30 CFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC000108985257 327257393 /nfs/dbraw/zinc/25/73/93/327257393.db2.gz PDJFJMXVINMHSJ-JTQLQIEISA-N -1 3 296.417 2.985 20 30 CFEDHM C=CCCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000351959230 328741196 /nfs/dbraw/zinc/74/11/96/328741196.db2.gz NVYRAHCMNPYRFV-UHFFFAOYSA-N -1 3 298.180 2.780 20 30 CFEDHM O=C(Cc1ccc([O-])cc1Cl)NCC#Cc1ccccc1 ZINC000357246789 328868057 /nfs/dbraw/zinc/86/80/57/328868057.db2.gz SXPCUECFLXEXQQ-UHFFFAOYSA-N -1 3 299.757 2.756 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000424169295 330310678 /nfs/dbraw/zinc/31/06/78/330310678.db2.gz HWGNYHRCTWBNOW-GWCFXTLKSA-N -1 3 267.756 2.726 20 30 CFEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c([O-])c1 ZINC000152193226 330630481 /nfs/dbraw/zinc/63/04/81/330630481.db2.gz GMQYYODQRJINQA-BLLLJJGKSA-N -1 3 272.348 2.903 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC1CC(OC(C)(C)C)C1 ZINC000450865230 331003634 /nfs/dbraw/zinc/00/36/34/331003634.db2.gz DGIUDUJPPBCCIJ-UHFFFAOYSA-N -1 3 283.397 2.608 20 30 CFEDHM C=CCCN(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451059839 331014059 /nfs/dbraw/zinc/01/40/59/331014059.db2.gz IUOSUBOFGDVQEN-UHFFFAOYSA-N -1 3 273.336 2.610 20 30 CFEDHM C=CCCN(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451059839 331014060 /nfs/dbraw/zinc/01/40/60/331014060.db2.gz IUOSUBOFGDVQEN-UHFFFAOYSA-N -1 3 273.336 2.610 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000451813987 331043504 /nfs/dbraw/zinc/04/35/04/331043504.db2.gz SEQJCMXULONSNC-UHFFFAOYSA-N -1 3 293.310 2.594 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000452046126 331052035 /nfs/dbraw/zinc/05/20/35/331052035.db2.gz VJZKJNRGVKHSPQ-UHFFFAOYSA-N -1 3 289.784 2.593 20 30 CFEDHM Cc1ccc(C(=O)NCC(C)(C)CC#N)c([O-])c1C ZINC000457991873 331239563 /nfs/dbraw/zinc/23/95/63/331239563.db2.gz JXHJMHQWNSJFHS-UHFFFAOYSA-N -1 3 260.337 2.679 20 30 CFEDHM N#C[C@@H]1CCC[C@H]1NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459486479 331284398 /nfs/dbraw/zinc/28/43/98/331284398.db2.gz UYBSXUVWMQRGRA-DZGCQCFKSA-N -1 3 294.358 2.631 20 30 CFEDHM N#CCCCNCc1cccc([O-])c1Br ZINC000459485917 331284498 /nfs/dbraw/zinc/28/44/98/331284498.db2.gz RKQZTTPXWWRUCM-UHFFFAOYSA-N -1 3 269.142 2.548 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000166256676 331306886 /nfs/dbraw/zinc/30/68/86/331306886.db2.gz QHSCXOUYOXWNON-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM C#CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000191015080 333213535 /nfs/dbraw/zinc/21/35/35/333213535.db2.gz JXGQVLQHOWGPSS-UHFFFAOYSA-N -1 3 279.339 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574049780 /nfs/dbraw/zinc/04/97/80/574049780.db2.gz NRUDOUKSJQBFRI-JOZWUWCOSA-N -1 3 282.343 2.863 20 30 CFEDHM CCC[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736425665 574051095 /nfs/dbraw/zinc/05/10/95/574051095.db2.gz WPCSIHUJHXMGLN-SNVBAGLBSA-N -1 3 298.350 2.503 20 30 CFEDHM CCC[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736425665 574051096 /nfs/dbraw/zinc/05/10/96/574051096.db2.gz WPCSIHUJHXMGLN-SNVBAGLBSA-N -1 3 298.350 2.503 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCOC(C)(C)C1 ZINC000753885586 574053061 /nfs/dbraw/zinc/05/30/61/574053061.db2.gz RLKIJMDCDGGUHQ-FFCYNSPCSA-N -1 3 263.337 2.777 20 30 CFEDHM CCCCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736444135 574054829 /nfs/dbraw/zinc/05/48/29/574054829.db2.gz DPVXFEVEXUCFJT-UHFFFAOYSA-N -1 3 298.350 2.647 20 30 CFEDHM CCCCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736444135 574054831 /nfs/dbraw/zinc/05/48/31/574054831.db2.gz DPVXFEVEXUCFJT-UHFFFAOYSA-N -1 3 298.350 2.647 20 30 CFEDHM 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574408755 /nfs/dbraw/zinc/40/87/55/574408755.db2.gz PNUGMXGQAIBTQX-UPHRSURJSA-N -1 3 271.297 2.927 20 30 CFEDHM Cn1nccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091610 620636746 /nfs/dbraw/zinc/63/67/46/620636746.db2.gz DERKPVLPACLYFC-UHFFFAOYSA-N -1 3 281.315 2.605 20 30 CFEDHM COCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091861 620637189 /nfs/dbraw/zinc/63/71/89/620637189.db2.gz QHKTUZALLNRMGL-UHFFFAOYSA-N -1 3 259.305 2.594 20 30 CFEDHM C=CCOCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096393 620637600 /nfs/dbraw/zinc/63/76/00/620637600.db2.gz BXVWPKGRJOAVRM-UHFFFAOYSA-N -1 3 290.146 2.914 20 30 CFEDHM C=CCCCN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000819739848 599563502 /nfs/dbraw/zinc/56/35/02/599563502.db2.gz JGESMGCVLYEBFN-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCCN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000819739848 599563504 /nfs/dbraw/zinc/56/35/04/599563504.db2.gz JGESMGCVLYEBFN-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C#CCOc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000315478737 600438645 /nfs/dbraw/zinc/43/86/45/600438645.db2.gz SENRKBXAJYCMHV-KRWDZBQOSA-N -1 3 295.338 2.614 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822225169 607458112 /nfs/dbraw/zinc/45/81/12/607458112.db2.gz QZXUXLYEGYJSTH-WAYWQWQTSA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822225169 607458114 /nfs/dbraw/zinc/45/81/14/607458114.db2.gz QZXUXLYEGYJSTH-WAYWQWQTSA-N -1 3 298.277 2.803 20 30 CFEDHM C=CCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894213 607797688 /nfs/dbraw/zinc/79/76/88/607797688.db2.gz KDRWFRZTHVZAIO-UHFFFAOYSA-N -1 3 285.351 2.576 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133199 601919474 /nfs/dbraw/zinc/91/94/74/601919474.db2.gz SQFYXHJWFPZAFZ-RISCZKNCSA-N -1 3 290.388 2.511 20 30 CFEDHM C[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824859234 607654335 /nfs/dbraw/zinc/65/43/35/607654335.db2.gz OOABWDJQMPIHDF-RYUDHWBXSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824859234 607654336 /nfs/dbraw/zinc/65/43/36/607654336.db2.gz OOABWDJQMPIHDF-RYUDHWBXSA-N -1 3 298.394 2.768 20 30 CFEDHM CC(C)[C@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824217054 607654455 /nfs/dbraw/zinc/65/44/55/607654455.db2.gz XPHQVLHNAPIQNW-CQSZACIVSA-N -1 3 298.394 2.768 20 30 CFEDHM CC(C)[C@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824217054 607654457 /nfs/dbraw/zinc/65/44/57/607654457.db2.gz XPHQVLHNAPIQNW-CQSZACIVSA-N -1 3 298.394 2.768 20 30 CFEDHM C=CCN(CCc1ccccc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833374670 605103479 /nfs/dbraw/zinc/10/34/79/605103479.db2.gz WZFXBNVPOMQZSX-UHFFFAOYSA-N -1 3 284.359 2.944 20 30 CFEDHM C#CCCN[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833786857 605973733 /nfs/dbraw/zinc/97/37/33/605973733.db2.gz BOOPAYLVHFTCGP-INIZCTEOSA-N -1 3 282.343 2.761 20 30 CFEDHM Fc1cccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822791868 606206195 /nfs/dbraw/zinc/20/61/95/606206195.db2.gz LYUJSENSOMJOJM-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM Fc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822791868 606206197 /nfs/dbraw/zinc/20/61/97/606206197.db2.gz LYUJSENSOMJOJM-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(O)c1 ZINC000822922934 606389661 /nfs/dbraw/zinc/38/96/61/606389661.db2.gz LEEXDMDWLDTWSJ-XQRVVYSFSA-N -1 3 298.327 2.530 20 30 CFEDHM N#Cc1nc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822845994 606439134 /nfs/dbraw/zinc/43/91/34/606439134.db2.gz MINZAEYIBDNJLM-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM C=C(Cl)CSc1cccc(-c2nnn[n-]2)c1 ZINC000819729140 607008932 /nfs/dbraw/zinc/00/89/32/607008932.db2.gz DGFAUTDEABLYCV-UHFFFAOYSA-N -1 3 252.730 2.711 20 30 CFEDHM C=C(Cl)CSc1cccc(-c2nn[n-]n2)c1 ZINC000819729140 607008934 /nfs/dbraw/zinc/00/89/34/607008934.db2.gz DGFAUTDEABLYCV-UHFFFAOYSA-N -1 3 252.730 2.711 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCCCC(C)(C)C#N ZINC000822221462 607041966 /nfs/dbraw/zinc/04/19/66/607041966.db2.gz PLAQHWXKUGSZQD-UHFFFAOYSA-N -1 3 285.351 2.884 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCCCC(C)(C)C#N ZINC000822221462 607041968 /nfs/dbraw/zinc/04/19/68/607041968.db2.gz PLAQHWXKUGSZQD-UHFFFAOYSA-N -1 3 285.351 2.884 20 30 CFEDHM CCC(CC)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820893370 607093048 /nfs/dbraw/zinc/09/30/48/607093048.db2.gz OYHMXDGXMZHJLD-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CCC(CC)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820893370 607093050 /nfs/dbraw/zinc/09/30/50/607093050.db2.gz OYHMXDGXMZHJLD-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819734941 607241741 /nfs/dbraw/zinc/24/17/41/607241741.db2.gz XZPVDACDMVEAMG-UHFFFAOYSA-N -1 3 291.742 2.815 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819734941 607241742 /nfs/dbraw/zinc/24/17/42/607241742.db2.gz XZPVDACDMVEAMG-UHFFFAOYSA-N -1 3 291.742 2.815 20 30 CFEDHM C=CCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894213 607797687 /nfs/dbraw/zinc/79/76/87/607797687.db2.gz KDRWFRZTHVZAIO-UHFFFAOYSA-N -1 3 285.351 2.576 20 30 CFEDHM Cc1ccc(C)c(NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826284983 607882932 /nfs/dbraw/zinc/88/29/32/607882932.db2.gz MRFPZGLOQZHRFN-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1ccc(C)c(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826284983 607882933 /nfs/dbraw/zinc/88/29/33/607882933.db2.gz MRFPZGLOQZHRFN-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM CCCCCC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825266413 607889207 /nfs/dbraw/zinc/88/92/07/607889207.db2.gz FVYVFHKCWKBZDG-UHFFFAOYSA-N -1 3 272.356 2.522 20 30 CFEDHM CCCCCC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825266413 607889208 /nfs/dbraw/zinc/88/92/08/607889208.db2.gz FVYVFHKCWKBZDG-UHFFFAOYSA-N -1 3 272.356 2.522 20 30 CFEDHM C=C(CC)CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823883017 608298956 /nfs/dbraw/zinc/29/89/56/608298956.db2.gz IOWBNQYWNVVVDK-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM CC[C@@H](C)C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825051395 608535656 /nfs/dbraw/zinc/53/56/56/608535656.db2.gz ONPGIIIWDKMTNA-SSDOTTSWSA-N -1 3 293.762 2.749 20 30 CFEDHM CC[C@@H](C)C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825051395 608535657 /nfs/dbraw/zinc/53/56/57/608535657.db2.gz ONPGIIIWDKMTNA-SSDOTTSWSA-N -1 3 293.762 2.749 20 30 CFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826400696 608874850 /nfs/dbraw/zinc/87/48/50/608874850.db2.gz FLAONEJATQRAEC-CLFYSBASSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826400696 608874852 /nfs/dbraw/zinc/87/48/52/608874852.db2.gz FLAONEJATQRAEC-CLFYSBASSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826400697 608875422 /nfs/dbraw/zinc/87/54/22/608875422.db2.gz FLAONEJATQRAEC-VQHVLOKHSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826400697 608875424 /nfs/dbraw/zinc/87/54/24/608875424.db2.gz FLAONEJATQRAEC-VQHVLOKHSA-N -1 3 294.289 2.902 20 30 CFEDHM CC[C@@H]1OCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000900679028 620701230 /nfs/dbraw/zinc/70/12/30/620701230.db2.gz MIQRSMWCHSMYDE-YPMHNXCESA-N -1 3 283.755 2.873 20 30 CFEDHM C=CCCC[C@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000823893950 609585531 /nfs/dbraw/zinc/58/55/31/609585531.db2.gz BWBMKIGCNKBGDH-NSHDSACASA-N -1 3 272.356 2.727 20 30 CFEDHM C=CCCC[C@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000823893950 609585532 /nfs/dbraw/zinc/58/55/32/609585532.db2.gz BWBMKIGCNKBGDH-NSHDSACASA-N -1 3 272.356 2.727 20 30 CFEDHM C=C(C)CNN=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000811652808 617670862 /nfs/dbraw/zinc/67/08/62/617670862.db2.gz YKSXPQLHMSGFFK-UHFFFAOYSA-N -1 3 268.744 2.944 20 30 CFEDHM C#CCO[N-]C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000812786088 617897945 /nfs/dbraw/zinc/89/79/45/617897945.db2.gz BSEWQXPYYKWWIH-LSDHHAIUSA-N -1 3 281.396 2.823 20 30 CFEDHM C#CCCCCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269098 617981415 /nfs/dbraw/zinc/98/14/15/617981415.db2.gz CRZYKDWZZOXPBI-CYBMUJFWSA-N -1 3 289.379 2.521 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CC1CCOCC1 ZINC000255132486 617988052 /nfs/dbraw/zinc/98/80/52/617988052.db2.gz QXUJAGWETIJAFA-DHDCSXOGSA-N -1 3 253.729 2.891 20 30 CFEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(F)c([O-])c1 ZINC000901222341 620772858 /nfs/dbraw/zinc/77/28/58/620772858.db2.gz GFNAVFILCIFIPJ-LBPRGKRZSA-N -1 3 280.343 2.803 20 30 CFEDHM CC1(C)C[C@H](NN=Cc2cc([O-])cc(Cl)c2)CCO1 ZINC000901222471 620773318 /nfs/dbraw/zinc/77/33/18/620773318.db2.gz KEJJAVGRTITIOA-GFCCVEGCSA-N -1 3 282.771 2.927 20 30 CFEDHM C=C(C)[C@H](CC(=O)[N-]OC1CCCCC1)OCC ZINC000779323703 618135877 /nfs/dbraw/zinc/13/58/77/618135877.db2.gz TZUJUZFCRVBEMZ-ZDUSSCGKSA-N -1 3 255.358 2.738 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)oc1C ZINC000128725670 618163686 /nfs/dbraw/zinc/16/36/86/618163686.db2.gz YZXMANVHKLLWDE-ZDUSSCGKSA-N -1 3 282.299 2.858 20 30 CFEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([O-])cc1F ZINC000901311625 620783283 /nfs/dbraw/zinc/78/32/83/620783283.db2.gz VPORQECCZFGVDX-PEGIJTEDSA-N -1 3 280.343 2.801 20 30 CFEDHM C#Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(Cl)c1 ZINC000933363993 618209363 /nfs/dbraw/zinc/20/93/63/618209363.db2.gz RZGWXKUOAJGPOL-CYBMUJFWSA-N -1 3 294.738 2.901 20 30 CFEDHM C#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(Cl)c1 ZINC000933363993 618209364 /nfs/dbraw/zinc/20/93/64/618209364.db2.gz RZGWXKUOAJGPOL-CYBMUJFWSA-N -1 3 294.738 2.901 20 30 CFEDHM CC[C@H](CC#N)NCc1cccc(Br)c1[O-] ZINC000054184110 618277085 /nfs/dbraw/zinc/27/70/85/618277085.db2.gz XEHLAXVXMRNCQB-SNVBAGLBSA-N -1 3 283.169 2.937 20 30 CFEDHM O=C([C@@H]1CCCOC1)N([O-])Cc1cccc2ccccc21 ZINC000901370293 620797014 /nfs/dbraw/zinc/79/70/14/620797014.db2.gz VYLQYLVNDFIFPD-OAHLLOKOSA-N -1 3 285.343 2.984 20 30 CFEDHM O=C(C[C@@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC000901371874 620797380 /nfs/dbraw/zinc/79/73/80/620797380.db2.gz XHPZJZTVDUGZIU-ZDUSSCGKSA-N -1 3 285.343 2.984 20 30 CFEDHM C=CCOCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372052 620797483 /nfs/dbraw/zinc/79/74/83/620797483.db2.gz OLYXYYGXWUUSHG-UHFFFAOYSA-N -1 3 267.300 2.526 20 30 CFEDHM O=C(c1ccc(Cl)cn1)N([O-])Cc1ccc(F)cc1 ZINC000901374345 620798105 /nfs/dbraw/zinc/79/81/05/620798105.db2.gz IHFZLYVBEFPGBO-UHFFFAOYSA-N -1 3 280.686 2.906 20 30 CFEDHM CC(C)c1nn(C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374229 620798220 /nfs/dbraw/zinc/79/82/20/620798220.db2.gz HDMVOTUTUHSVQI-UHFFFAOYSA-N -1 3 291.326 2.714 20 30 CFEDHM CC[C@@H](NCc1cscn1)c1cccc(C#N)c1[O-] ZINC000924873239 618359775 /nfs/dbraw/zinc/35/97/75/618359775.db2.gz QISQROQRXDSSEO-CYBMUJFWSA-N -1 3 273.361 2.961 20 30 CFEDHM Cc1noc(C)c1[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374814 620798628 /nfs/dbraw/zinc/79/86/28/620798628.db2.gz SLJDQJUOZWSCSH-VIFPVBQESA-N -1 3 292.310 2.952 20 30 CFEDHM COc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901378060 620798964 /nfs/dbraw/zinc/79/89/64/620798964.db2.gz BKRALRTTXPWYBO-UHFFFAOYSA-N -1 3 275.279 2.866 20 30 CFEDHM CCOc1cc(C=NNc2cncnc2)cc(Cl)c1[O-] ZINC000794976125 618499589 /nfs/dbraw/zinc/49/95/89/618499589.db2.gz FAMMFXMUSAMEBZ-UHFFFAOYSA-N -1 3 292.726 2.680 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000310873692 618654141 /nfs/dbraw/zinc/65/41/41/618654141.db2.gz MJUDJAFAUNWISF-UHFFFAOYSA-N -1 3 292.763 2.509 20 30 CFEDHM N#C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000928214908 619322007 /nfs/dbraw/zinc/32/20/07/619322007.db2.gz FRTGKGNZXJIUBG-VIFPVBQESA-N -1 3 298.264 2.787 20 30 CFEDHM N#Cc1cc(NCc2c([O-])cccc2F)nc(C2CC2)n1 ZINC000895832670 619619349 /nfs/dbraw/zinc/61/93/49/619619349.db2.gz LNAOWDPRWJRXFS-UHFFFAOYSA-N -1 3 284.294 2.682 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCCC2(F)F)c1[O-] ZINC000840707404 619866011 /nfs/dbraw/zinc/86/60/11/619866011.db2.gz OYQGRYJEECIXAD-MEBUONCMSA-N -1 3 298.333 2.832 20 30 CFEDHM COC(=O)[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@H]2C[C@H]21 ZINC000899227663 620533055 /nfs/dbraw/zinc/53/30/55/620533055.db2.gz PGFIIPHQAYRGTD-AXARSZRYSA-N -1 3 293.750 2.662 20 30 CFEDHM Cc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C(C)C ZINC000899351328 620550777 /nfs/dbraw/zinc/55/07/77/620550777.db2.gz GUNSNQAQNYHWQO-CQSZACIVSA-N -1 3 255.321 2.549 20 30 CFEDHM C=C1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000900040838 620627661 /nfs/dbraw/zinc/62/76/61/620627661.db2.gz VBHUFNLSLQTJTP-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C=C1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000900040838 620627663 /nfs/dbraw/zinc/62/76/63/620627663.db2.gz VBHUFNLSLQTJTP-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM O=C(/C=C/c1ccc([O-])cc1F)c1cc2n(n1)CCCC2 ZINC000901564460 620859170 /nfs/dbraw/zinc/85/91/70/620859170.db2.gz XAJPKHXBACQZQT-FNORWQNLSA-N -1 3 286.306 2.960 20 30 CFEDHM C[C@H](NCC1(C#N)CC1)c1cc(F)cc(F)c1[O-] ZINC000903105637 621254997 /nfs/dbraw/zinc/25/49/97/621254997.db2.gz GKWUHVLKDSAASL-QMMMGPOBSA-N -1 3 252.264 2.625 20 30 CFEDHM C[C@@H](NCC1(C#N)CCCC1)c1cccc(C#N)c1[O-] ZINC000903109285 621256470 /nfs/dbraw/zinc/25/64/70/621256470.db2.gz MISOTOVBGVYWNC-GFCCVEGCSA-N -1 3 269.348 2.998 20 30 CFEDHM C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000903408153 621363055 /nfs/dbraw/zinc/36/30/55/621363055.db2.gz FCYRPSCEBXAPKB-QMTHXVAHSA-N -1 3 292.766 2.754 20 30 CFEDHM O=C(c1occ2c1CCC2)N([O-])Cc1ccc(F)cc1 ZINC000904177729 621543052 /nfs/dbraw/zinc/54/30/52/621543052.db2.gz MUWGMFXQEDUJFZ-UHFFFAOYSA-N -1 3 275.279 2.939 20 30 CFEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC000904178525 621543688 /nfs/dbraw/zinc/54/36/88/621543688.db2.gz MNCJBMFMRGVFLL-MRVPVSSYSA-N -1 3 291.178 2.661 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000904206575 621543928 /nfs/dbraw/zinc/54/39/28/621543928.db2.gz CFSNVTKJEKXCAG-OLZOCXBDSA-N -1 3 255.358 2.600 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CC12CC(OCC)C2 ZINC000904207174 621544106 /nfs/dbraw/zinc/54/41/06/621544106.db2.gz TWPUMQZZRLMRMI-OWYJLGKBSA-N -1 3 269.385 2.990 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1c(C)cc(C)[nH]c1=O ZINC000904206837 621544163 /nfs/dbraw/zinc/54/41/63/621544163.db2.gz KMWNNBXPFUHADA-UHFFFAOYSA-N -1 3 280.368 2.745 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ncccc1F ZINC000904206521 621544182 /nfs/dbraw/zinc/54/41/82/621544182.db2.gz AHZLTJGHPMCNTO-UHFFFAOYSA-N -1 3 254.305 2.561 20 30 CFEDHM CCCCN([O-])C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000904207878 621544457 /nfs/dbraw/zinc/54/44/57/621544457.db2.gz GSHQKCHBIPYEFE-UHFFFAOYSA-N -1 3 289.335 2.687 20 30 CFEDHM CCCCN([O-])C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000904207927 621544557 /nfs/dbraw/zinc/54/45/57/621544557.db2.gz IIATTXNYFIKMCK-CYBMUJFWSA-N -1 3 290.363 2.596 20 30 CFEDHM CCCCN([O-])C(=O)c1cc2c(C)nn(C)c2s1 ZINC000904207904 621544579 /nfs/dbraw/zinc/54/45/79/621544579.db2.gz HOXLXEJYASQEDH-UHFFFAOYSA-N -1 3 267.354 2.575 20 30 CFEDHM CCCCN([O-])C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000904208721 621544618 /nfs/dbraw/zinc/54/46/18/621544618.db2.gz IJDAQRWZEIVAFF-ZDUSSCGKSA-N -1 3 262.309 2.522 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1cccc(NC(C)=O)c1 ZINC000904207377 621544651 /nfs/dbraw/zinc/54/46/51/621544651.db2.gz ZSEFVCCEYLPJJM-UHFFFAOYSA-N -1 3 292.379 2.986 20 30 CFEDHM CCCCN([O-])C(=O)CCOCc1ccccc1 ZINC000904209127 621544905 /nfs/dbraw/zinc/54/49/05/621544905.db2.gz VGOHKQGCCYZEMC-UHFFFAOYSA-N -1 3 251.326 2.611 20 30 CFEDHM CCCCN([O-])C(=O)C1(c2ccccc2OC)CC1 ZINC000904210236 621544920 /nfs/dbraw/zinc/54/49/20/621544920.db2.gz IZBBKTCVLQGCNH-UHFFFAOYSA-N -1 3 263.337 2.745 20 30 CFEDHM CN1CCCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904188681 621545400 /nfs/dbraw/zinc/54/54/00/621545400.db2.gz JKVGOQKSVZHCPA-ZDUSSCGKSA-N -1 3 282.771 2.542 20 30 CFEDHM O=C([C@@H]1CCSC1)N([O-])Cc1ccccc1Cl ZINC000904189972 621545848 /nfs/dbraw/zinc/54/58/48/621545848.db2.gz DRHAUVZMEHMFIB-SNVBAGLBSA-N -1 3 271.769 2.811 20 30 CFEDHM C[C@@]1(C(=O)N([O-])Cc2ccccc2Cl)CCCOC1 ZINC000904190117 621545927 /nfs/dbraw/zinc/54/59/27/621545927.db2.gz HPROSMWOFVXYPQ-CQSZACIVSA-N -1 3 283.755 2.875 20 30 CFEDHM O=C(c1n[nH]c2c1CCC2)N([O-])Cc1ccccc1Cl ZINC000904189077 621545940 /nfs/dbraw/zinc/54/59/40/621545940.db2.gz ZBNCESWQXBTDST-UHFFFAOYSA-N -1 3 291.738 2.583 20 30 CFEDHM O=C(C1=CCCCO1)N([O-])Cc1ccccc1Cl ZINC000904189028 621545998 /nfs/dbraw/zinc/54/59/98/621545998.db2.gz WSJGYNPHRVGLHY-UHFFFAOYSA-N -1 3 267.712 2.752 20 30 CFEDHM O=C([C@@H]1CCCN1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904190627 621546410 /nfs/dbraw/zinc/54/64/10/621546410.db2.gz OFDOHWAADOPLJV-AWEZNQCLSA-N -1 3 294.782 2.685 20 30 CFEDHM CCCn1nccc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192819 621546758 /nfs/dbraw/zinc/54/67/58/621546758.db2.gz XMZLFFLXNWECER-UHFFFAOYSA-N -1 3 293.754 2.978 20 30 CFEDHM C[C@@]1(C(=O)N([O-])CCCCc2ccccc2)CCOC1 ZINC000904198099 621548605 /nfs/dbraw/zinc/54/86/05/621548605.db2.gz TUTFMQPEERWYAL-MRXNPFEDSA-N -1 3 277.364 2.654 20 30 CFEDHM O=C(COCC1CC1)N([O-])CCCCc1ccccc1 ZINC000904201310 621549182 /nfs/dbraw/zinc/54/91/82/621549182.db2.gz MSFLPFFONKLZEA-UHFFFAOYSA-N -1 3 277.364 2.654 20 30 CFEDHM CCCCCCN([O-])C(=O)c1c(=O)[nH]nc(CC)c1CC ZINC000904204186 621550129 /nfs/dbraw/zinc/55/01/29/621550129.db2.gz GTDSDYMXZDWEKJ-UHFFFAOYSA-N -1 3 295.383 2.719 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000904204920 621550418 /nfs/dbraw/zinc/55/04/18/621550418.db2.gz VUBBSWHUONLYFB-LLVKDONJSA-N -1 3 265.357 2.628 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCO[C@H](CC)C1 ZINC000904204385 621550458 /nfs/dbraw/zinc/55/04/58/621550458.db2.gz KNMGBVOLMDNUFV-QWHCGFSZSA-N -1 3 257.374 2.990 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cnc(COC)s1 ZINC000904204200 621550609 /nfs/dbraw/zinc/55/06/09/621550609.db2.gz HHGIJZOHIZECGK-UHFFFAOYSA-N -1 3 272.370 2.701 20 30 CFEDHM CCCCCCN([O-])C(=O)c1scnc1COC ZINC000904204290 621550731 /nfs/dbraw/zinc/55/07/31/621550731.db2.gz IRKUOEIKHFCYHP-UHFFFAOYSA-N -1 3 272.370 2.701 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000904205234 621550977 /nfs/dbraw/zinc/55/09/77/621550977.db2.gz CHNVMWKOIUANBK-CYBMUJFWSA-N -1 3 292.379 2.603 20 30 CFEDHM CCCCCCN([O-])C(=O)CN(C)C(=O)c1cccs1 ZINC000904205348 621551211 /nfs/dbraw/zinc/55/12/11/621551211.db2.gz IRTUMUJVGZCKFO-UHFFFAOYSA-N -1 3 298.408 2.618 20 30 CFEDHM CCCCN([O-])C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000904216194 621551488 /nfs/dbraw/zinc/55/14/88/621551488.db2.gz ZPXZKEXDVLJRBF-UHFFFAOYSA-N -1 3 287.310 2.716 20 30 CFEDHM CCCCN([O-])C(=O)c1c(F)cncc1Br ZINC000904215614 621551700 /nfs/dbraw/zinc/55/17/00/621551700.db2.gz GRYBQUPZSNXRAX-UHFFFAOYSA-N -1 3 291.120 2.615 20 30 CFEDHM CCCCN([O-])C(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000904216118 621551724 /nfs/dbraw/zinc/55/17/24/621551724.db2.gz YAJYVRMZEKZSMU-LBPRGKRZSA-N -1 3 255.358 2.744 20 30 CFEDHM CCCCN([O-])C(=O)Cc1ccc2cccnc2c1 ZINC000904215652 621551803 /nfs/dbraw/zinc/55/18/03/621551803.db2.gz IJORDNXCUHYMNF-UHFFFAOYSA-N -1 3 258.321 2.795 20 30 CFEDHM CCCCN([O-])C(=O)c1c(C)onc1-c1ccncc1 ZINC000904212671 621553719 /nfs/dbraw/zinc/55/37/19/621553719.db2.gz RDGSXHYUPIVROZ-UHFFFAOYSA-N -1 3 275.308 2.677 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000904211759 621553868 /nfs/dbraw/zinc/55/38/68/621553868.db2.gz DEFRKNQJBHKHOB-QWHCGFSZSA-N -1 3 257.374 2.846 20 30 CFEDHM CCCCN([O-])C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000904213631 621554315 /nfs/dbraw/zinc/55/43/15/621554315.db2.gz VJRLBFIQBYMCPO-NRXISQOPSA-N -1 3 299.411 2.759 20 30 CFEDHM CCCCN([O-])C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000904213396 621554368 /nfs/dbraw/zinc/55/43/68/621554368.db2.gz PRGAUUDAHSNWGQ-LLVKDONJSA-N -1 3 288.388 2.698 20 30 CFEDHM C=CCOc1ccc(CC(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000832733627 625501939 /nfs/dbraw/zinc/50/19/39/625501939.db2.gz UTIULZHBHRQWGS-ZDUSSCGKSA-N -1 3 277.364 2.888 20 30 CFEDHM C[C@@H]1COC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000905005176 621680637 /nfs/dbraw/zinc/68/06/37/621680637.db2.gz XRCVZROGGNATNF-NAUUUVFWSA-N -1 3 284.153 2.609 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1C[C@@H]2CCC[C@H]2C1 ZINC000905439370 621772408 /nfs/dbraw/zinc/77/24/08/621772408.db2.gz QBMUTRJXPWQXNG-KBPBESRZSA-N -1 3 292.404 2.672 20 30 CFEDHM N#Cc1cc(-c2cnc([C@@H]3CCCCN3)nc2)ccc1[O-] ZINC000906170951 621943180 /nfs/dbraw/zinc/94/31/80/621943180.db2.gz PPJFYLLHHMHYGA-AWEZNQCLSA-N -1 3 280.331 2.535 20 30 CFEDHM C=C(C)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907520446 622134943 /nfs/dbraw/zinc/13/49/43/622134943.db2.gz BNVAZPIJQNLEAT-UHFFFAOYSA-N -1 3 297.380 2.796 20 30 CFEDHM CC(C)(C#N)CCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000819892158 622567438 /nfs/dbraw/zinc/56/74/38/622567438.db2.gz WUQDMVJKRFLVIP-UHFFFAOYSA-N -1 3 289.314 2.715 20 30 CFEDHM CC(C)(C#N)CCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000819892158 622567443 /nfs/dbraw/zinc/56/74/43/622567443.db2.gz WUQDMVJKRFLVIP-UHFFFAOYSA-N -1 3 289.314 2.715 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccccc1SCC ZINC000911902845 622578841 /nfs/dbraw/zinc/57/88/41/622578841.db2.gz HXKHNJDICOZNKT-LLVKDONJSA-N -1 3 265.378 2.963 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000824028420 623435694 /nfs/dbraw/zinc/43/56/94/623435694.db2.gz ICEXHTKTSHBEAD-UHFFFAOYSA-N -1 3 298.726 2.805 20 30 CFEDHM C[C@@H]1CC(=NOC[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000788035627 623981757 /nfs/dbraw/zinc/98/17/57/623981757.db2.gz AAOCFKHSNYUQOC-ZJUUUORDSA-N -1 3 279.311 2.796 20 30 CFEDHM C=C[C@H](CC)CC(=O)[N-]OCCCC(F)(F)F ZINC000828336172 624230617 /nfs/dbraw/zinc/23/06/17/624230617.db2.gz ORTWIRKBNDVPFJ-SECBINFHSA-N -1 3 253.264 2.979 20 30 CFEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC000916268954 624233355 /nfs/dbraw/zinc/23/33/55/624233355.db2.gz IDPCBBVDPLUSES-UHFFFAOYSA-N -1 3 287.275 2.842 20 30 CFEDHM Cc1cc(C)c(C=[NH+][N-]c2ncnc3[n-]cnc32)c(C)c1 ZINC000917555877 624359692 /nfs/dbraw/zinc/35/96/92/624359692.db2.gz ZDJAMXMNYSPMIN-UHFFFAOYSA-N -1 3 280.335 2.724 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000920387074 624718229 /nfs/dbraw/zinc/71/82/29/624718229.db2.gz KOTBATJNFVKRHK-JLKWGVLYSA-N -1 3 276.380 2.833 20 30 CFEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000175107314 624927143 /nfs/dbraw/zinc/92/71/43/624927143.db2.gz XNIWWLMLSFLNER-ZDUSSCGKSA-N -1 3 282.299 2.858 20 30 CFEDHM O=C1CN(N=CC2CCC3(CCCCC3)CC2)C(=O)[N-]1 ZINC000834934061 625926356 /nfs/dbraw/zinc/92/63/56/625926356.db2.gz RUPDVGXFBKQXAS-UHFFFAOYSA-N -1 3 277.368 2.665 20 30 CFEDHM COc1c([O-])ccc(C=NOC2CCCCC2)c1[N+](=O)[O-] ZINC000834971870 625938302 /nfs/dbraw/zinc/93/83/02/625938302.db2.gz IAZJYEUTZCNDBL-UHFFFAOYSA-N -1 3 294.307 2.992 20 30 CFEDHM COc1c([O-])ccc(C=NN[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000834981753 625945109 /nfs/dbraw/zinc/94/51/09/625945109.db2.gz YYYGPZBLSTVMLK-VIFPVBQESA-N -1 3 295.339 2.667 20 30 CFEDHM CC(=NN[C@@H](C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000834995548 625946384 /nfs/dbraw/zinc/94/63/84/625946384.db2.gz HOMJCRSZUPTPJF-ZETCQYMHSA-N -1 3 264.222 2.796 20 30 CFEDHM C=CCCCCNC(=O)NCc1c([O-])cccc1F ZINC000922025483 626198129 /nfs/dbraw/zinc/19/81/29/626198129.db2.gz IWAIOWZGOWPGIK-UHFFFAOYSA-N -1 3 266.316 2.687 20 30 CFEDHM N#CC1CCC(COC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000922779714 626363412 /nfs/dbraw/zinc/36/34/12/626363412.db2.gz ZLCFNNSBQXILCF-UHFFFAOYSA-N -1 3 291.322 2.947 20 30 CFEDHM C#CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000838913459 626513571 /nfs/dbraw/zinc/51/35/71/626513571.db2.gz SFVGESQQBDKFSQ-INIZCTEOSA-N -1 3 293.370 2.914 20 30 CFEDHM CC[C@](C)([N-]C(=O)[C@@H](F)C(F)(F)F)C(F)(F)F ZINC000839290824 626532969 /nfs/dbraw/zinc/53/29/69/626532969.db2.gz BIJXSEQBNDMVFK-XINAWCOVSA-N -1 3 269.160 2.734 20 30 CFEDHM C#CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCC1 ZINC000839699770 626551455 /nfs/dbraw/zinc/55/14/55/626551455.db2.gz AHXWAOLRULVILC-UHFFFAOYSA-N -1 3 285.343 2.613 20 30 CFEDHM CCO[C@@H]1COCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000758816495 626610160 /nfs/dbraw/zinc/61/01/60/626610160.db2.gz SDXQQQUFHBKKFV-JBAHZQCYSA-N -1 3 283.755 2.659 20 30 CFEDHM COc1c(F)cc(F)cc1N=Cc1ccc(O)c([O-])c1O ZINC000760214073 626720304 /nfs/dbraw/zinc/72/03/04/626720304.db2.gz ZWTVIGWOMYAMPJ-UHFFFAOYSA-N -1 3 295.241 2.841 20 30 CFEDHM CCON=Cc1cc(Br)c([O-])c(OC)c1 ZINC000767463438 627253867 /nfs/dbraw/zinc/25/38/67/627253867.db2.gz MGZIRKGHOSMHOB-UHFFFAOYSA-N -1 3 274.114 2.534 20 30 CFEDHM N#Cc1cc(Cl)nc(NN=Cc2cc(F)ccc2[O-])c1 ZINC000768373442 627337752 /nfs/dbraw/zinc/33/77/52/627337752.db2.gz DEZDNXSHXAYTAT-UHFFFAOYSA-N -1 3 290.685 2.897 20 30 CFEDHM Cc1cc(C)nc(N=NC(C)c2sccc2[O-])n1 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2.929 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccccc1Cl ZINC000856028282 635702012 /nfs/dbraw/zinc/70/20/12/635702012.db2.gz FEVSCNPXIXZTDJ-UHFFFAOYSA-N -1 3 253.729 2.897 20 30 CFEDHM C=CCCO[N-]C(=O)CCSc1ccc(OC)cc1 ZINC000856029321 635704666 /nfs/dbraw/zinc/70/46/66/635704666.db2.gz IQVSNJCQBRIVTG-UHFFFAOYSA-N -1 3 281.377 2.801 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000856033779 635709112 /nfs/dbraw/zinc/70/91/12/635709112.db2.gz QKHUCAROCXVQQW-UHFFFAOYSA-N -1 3 266.341 2.529 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cccc(Cl)c1F ZINC000856035995 635710540 /nfs/dbraw/zinc/71/05/40/635710540.db2.gz QKVWVKZEKYNBMU-UHFFFAOYSA-N -1 3 257.692 2.646 20 30 CFEDHM C#C[C@](C)(CC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857720916 636016521 /nfs/dbraw/zinc/01/65/21/636016521.db2.gz BOIIYWIVXUTKMU-CYBMUJFWSA-N -1 3 285.265 2.943 20 30 CFEDHM C=CCN1C(=O)/C(=C\c2ccc([O-])c(F)c2)SC1=S ZINC000158639914 650232735 /nfs/dbraw/zinc/23/27/35/650232735.db2.gz VLSTZDXVQQDGQQ-YRNVUSSQSA-N -1 3 295.360 2.919 20 30 CFEDHM C=CCO[N-]C(=O)Cc1c(CC)oc2ccccc21 ZINC000861923868 637256620 /nfs/dbraw/zinc/25/66/20/637256620.db2.gz FVAPFANFJWHMMS-UHFFFAOYSA-N -1 3 259.305 2.772 20 30 CFEDHM N#CCC1CN(Cc2c([O-])cccc2Br)C1 ZINC000862412616 637361487 /nfs/dbraw/zinc/36/14/87/637361487.db2.gz REONWIHEGBCKLY-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1C1CCC1 ZINC000864346847 637947085 /nfs/dbraw/zinc/94/70/85/637947085.db2.gz FMQYEPGYCYXYCI-YRUBURHZSA-N -1 3 292.766 2.618 20 30 CFEDHM CCCCCc1nnc([N-]C(=O)c2coc(C#N)c2)s1 ZINC000864969360 638142232 /nfs/dbraw/zinc/14/22/32/638142232.db2.gz NVTZVTFVQMPGKC-UHFFFAOYSA-N -1 3 290.348 2.988 20 30 CFEDHM CC(C)n1ccc(CN[C@@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866268891 638785284 /nfs/dbraw/zinc/78/52/84/638785284.db2.gz KEUNQVJULDXDLA-LBPRGKRZSA-N -1 3 284.363 2.892 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000869153992 639051133 /nfs/dbraw/zinc/05/11/33/639051133.db2.gz ZVTDMAZRODYINQ-ZJUUUORDSA-N -1 3 265.275 2.979 20 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266.291 2.796 20 30 CFEDHM C=C(C)C[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000877690322 643456627 /nfs/dbraw/zinc/45/66/27/643456627.db2.gz QUWGMVUEWZFYCV-GFCCVEGCSA-N -1 3 283.755 2.643 20 30 CFEDHM C#CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000882534053 645357472 /nfs/dbraw/zinc/35/74/72/645357472.db2.gz XCEOAGZQBQSXFL-UHFFFAOYSA-N -1 3 289.350 2.916 20 30 CFEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000134855606 646391747 /nfs/dbraw/zinc/39/17/47/646391747.db2.gz XNBBROYWTRBWLC-UHFFFAOYSA-N -1 3 299.701 2.736 20 30 CFEDHM C#CCC1([N-]C(=O)C(F)(F)C(F)F)CCCCC1 ZINC000886654927 647091484 /nfs/dbraw/zinc/09/14/84/647091484.db2.gz VILILNQVOUREJG-UHFFFAOYSA-N -1 3 265.250 2.729 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)CC(F)F)c1[O-] ZINC000887268786 647255817 /nfs/dbraw/zinc/25/58/17/647255817.db2.gz UYHPUWZQEGLVNX-UBKPWBPPSA-N -1 3 286.322 2.688 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2(CC3CC3)CC2)c1[O-] ZINC000887268559 647255863 /nfs/dbraw/zinc/25/58/63/647255863.db2.gz OOXRIBDNCOZQEJ-IUXPMGMMSA-N 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YXXHNACXTJTLBA-UHFFFAOYSA-N -1 3 266.300 2.514 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccncc2)[n-]1 ZINC001225467147 775467382 /nfs/dbraw/zinc/46/73/82/775467382.db2.gz MTAJDOTWFPBOCF-JTQLQIEISA-N -1 3 255.277 2.502 20 30 CFEDHM C#C[C@H](CCCC)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225577545 775509642 /nfs/dbraw/zinc/50/96/42/775509642.db2.gz XTQJEVWRVGHDBY-MRVPVSSYSA-N -1 3 274.242 2.772 20 30 CFEDHM C=C(C)C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(=C)C ZINC001225664307 775546553 /nfs/dbraw/zinc/54/65/53/775546553.db2.gz MYJLVWDJKBFMEP-LLVKDONJSA-N -1 3 264.281 2.985 20 30 CFEDHM C=CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225664689 775547108 /nfs/dbraw/zinc/54/71/08/775547108.db2.gz RGZCAMVJMUWLBR-SNVBAGLBSA-N -1 3 252.270 2.675 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663361 775547563 /nfs/dbraw/zinc/54/75/63/775547563.db2.gz DPYITBLDXQXDTE-ZETCQYMHSA-N -1 3 272.326 2.561 20 30 CFEDHM CCOC(=O)[C@@H]1CC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114404 775703218 /nfs/dbraw/zinc/70/32/18/775703218.db2.gz IZFAMYWATCIHDL-XYZGBQHVSA-N -1 3 277.320 2.605 20 30 CFEDHM C[C@@H]1c2cnccc2C[C@@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226115909 775705221 /nfs/dbraw/zinc/70/52/21/775705221.db2.gz KMARQLMQQMPJPP-YEHZKWQTSA-N -1 3 268.316 2.997 20 30 CFEDHM C=C(C)C[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)C(=C)C ZINC001226239364 775748844 /nfs/dbraw/zinc/74/88/44/775748844.db2.gz BKBOVYSSOMIUOC-GFCCVEGCSA-N -1 3 262.309 2.675 20 30 CFEDHM CCOc1ccc([C@H](C)Oc2nccc(/C=N/[O-])n2)cc1 ZINC001226256123 775757316 /nfs/dbraw/zinc/75/73/16/775757316.db2.gz OTQBOYNGOHCAQI-MUOOZZNISA-N -1 3 287.319 2.823 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333765 775783058 /nfs/dbraw/zinc/78/30/58/775783058.db2.gz NVCVBJJYRYGMAW-JTQLQIEISA-N -1 3 279.368 2.949 20 30 CFEDHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)CS)cc12 ZINC001226537377 775866068 /nfs/dbraw/zinc/86/60/68/775866068.db2.gz JIHAGDMORDQBSL-MRVPVSSYSA-N -1 3 266.318 2.504 20 30 CFEDHM CCC#C[C@@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597442 775886906 /nfs/dbraw/zinc/88/69/06/775886906.db2.gz UBYUBEPBNHANJF-SNVBAGLBSA-N -1 3 258.273 2.679 20 30 CFEDHM CCc1cnc(=S)[n-]c1O[C@@H](C#N)c1ccccc1 ZINC001227062420 776080838 /nfs/dbraw/zinc/08/08/38/776080838.db2.gz XAODYHFGJXFLEH-LBPRGKRZSA-N -1 3 271.345 2.971 20 30 CFEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCN(CC)C1 ZINC001227120876 776106203 /nfs/dbraw/zinc/10/62/03/776106203.db2.gz VQZLVFINVWFXJE-CYBMUJFWSA-N -1 3 289.375 2.796 20 30 CFEDHM CCC[C@H](CC(=O)OCC)Oc1cc(C#N)ccc1[O-] ZINC001227345261 776180425 /nfs/dbraw/zinc/18/04/25/776180425.db2.gz MHCAFASDNSDXTA-GFCCVEGCSA-N -1 3 277.320 2.765 20 30 CFEDHM C#C[C@H](Oc1cc(CCC)nc(=S)[n-]1)c1ccncc1 ZINC001227422221 776199442 /nfs/dbraw/zinc/19/94/42/776199442.db2.gz MXRQICUNILITLW-ZDUSSCGKSA-N -1 3 285.372 2.866 20 30 CFEDHM O=C1C=C[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227590662 776236287 /nfs/dbraw/zinc/23/62/87/776236287.db2.gz JTINKRKEQQYLRM-MRVPVSSYSA-N -1 3 287.084 2.570 20 30 CFEDHM C[C@@H](CS)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227582665 776234976 /nfs/dbraw/zinc/23/49/76/776234976.db2.gz CPMRURUOCHADRO-YFKPBYRVSA-N -1 3 253.245 2.503 20 30 CFEDHM C#C[C@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227587373 776237087 /nfs/dbraw/zinc/23/70/87/776237087.db2.gz HHZKIQJDJHZBJN-LURJTMIESA-N -1 3 259.074 2.694 20 30 CFEDHM C=CCC(CC=C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227613445 776243956 /nfs/dbraw/zinc/24/39/56/776243956.db2.gz UPAWGXUEESTGLY-UHFFFAOYSA-N -1 3 262.338 2.541 20 30 CFEDHM C#C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccncc1 ZINC001227743786 776275273 /nfs/dbraw/zinc/27/52/73/776275273.db2.gz YDEKVDBFFPQLQD-AWEZNQCLSA-N -1 3 294.270 2.619 20 30 CFEDHM C#C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccncc1 ZINC001227743786 776275276 /nfs/dbraw/zinc/27/52/76/776275276.db2.gz YDEKVDBFFPQLQD-AWEZNQCLSA-N -1 3 294.270 2.619 20 30 CFEDHM N#C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1F ZINC001228005456 776360260 /nfs/dbraw/zinc/36/02/60/776360260.db2.gz RSNVWIMIZYWALP-LBPRGKRZSA-N -1 3 296.261 2.513 20 30 CFEDHM C#C[C@@H](CCC)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228078333 776387768 /nfs/dbraw/zinc/38/77/68/776387768.db2.gz IQAQRXPEZGLTSV-NSHDSACASA-N -1 3 290.315 2.858 20 30 CFEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1C=CC(=O)C1 ZINC001228133416 776404119 /nfs/dbraw/zinc/40/41/19/776404119.db2.gz FNTVDBFFBDPUHV-LBPRGKRZSA-N -1 3 274.316 2.824 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688983 776569425 /nfs/dbraw/zinc/56/94/25/776569425.db2.gz NWEULKDCFSOXAI-LLVKDONJSA-N -1 3 290.319 2.987 20 30 CFEDHM C#C[C@@H](CCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687854 776569786 /nfs/dbraw/zinc/56/97/86/776569786.db2.gz CLNCXOYRMIYDDU-JTQLQIEISA-N -1 3 264.281 2.575 20 30 CFEDHM C#C[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229186487 776746826 /nfs/dbraw/zinc/74/68/26/776746826.db2.gz KKGQZEHDEMKOQP-SNVBAGLBSA-N -1 3 292.290 2.568 20 30 CFEDHM C=CC[C@@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC001229342261 776784732 /nfs/dbraw/zinc/78/47/32/776784732.db2.gz QBFOHSLDLVAYEK-GFCCVEGCSA-N -1 3 288.351 2.855 20 30 CFEDHM C=CC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC001229342261 776784739 /nfs/dbraw/zinc/78/47/39/776784739.db2.gz QBFOHSLDLVAYEK-GFCCVEGCSA-N -1 3 288.351 2.855 20 30 CFEDHM O=C1OCC[C@@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934304 776920565 /nfs/dbraw/zinc/92/05/65/776920565.db2.gz XJOIHNFKZWGKKZ-GYKGCMEESA-N -1 3 297.310 2.837 20 30 CFEDHM N#C[C@H](Oc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001229949444 776923438 /nfs/dbraw/zinc/92/34/38/776923438.db2.gz AZCVNGUBESTNEV-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001229949444 776923442 /nfs/dbraw/zinc/92/34/42/776923442.db2.gz AZCVNGUBESTNEV-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#CC[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229955660 776924113 /nfs/dbraw/zinc/92/41/13/776924113.db2.gz YBKARRNHIRXSAI-CQSZACIVSA-N -1 3 291.314 2.900 20 30 CFEDHM N#CC[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229955660 776924117 /nfs/dbraw/zinc/92/41/17/776924117.db2.gz YBKARRNHIRXSAI-CQSZACIVSA-N -1 3 291.314 2.900 20 30 CFEDHM C=CC[C@@H](Oc1nc(=O)[n-]c2c1SCC2)C(C)C ZINC001230791547 777065101 /nfs/dbraw/zinc/06/51/01/777065101.db2.gz CVEPUWCVYBWBJY-SNVBAGLBSA-N -1 3 266.366 2.810 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231120975 777147986 /nfs/dbraw/zinc/14/79/86/777147986.db2.gz BLBACMUSSXAXAB-VIFPVBQESA-N -1 3 278.381 2.733 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231120975 777147993 /nfs/dbraw/zinc/14/79/93/777147993.db2.gz BLBACMUSSXAXAB-VIFPVBQESA-N -1 3 278.381 2.733 20 30 CFEDHM C#CC[C@H](CC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850474 777310927 /nfs/dbraw/zinc/31/09/27/777310927.db2.gz KKPRJEGZLSGXAI-ZETCQYMHSA-N -1 3 276.283 2.965 20 30 CFEDHM [O-]/N=C/c1ccnc(O[C@H]2CC[C@H](C(F)(F)F)CC2)n1 ZINC001226256699 777488497 /nfs/dbraw/zinc/48/84/97/777488497.db2.gz VMCANUUMYRNTBE-IOMAWWENSA-N -1 3 289.257 2.785 20 30 CFEDHM C[C@H]1C(=O)CCN(Cc2cc(C#N)ccc2[O-])C12CCCC2 ZINC001232680967 777639809 /nfs/dbraw/zinc/63/98/09/777639809.db2.gz JFINMUBIPMPRAI-ZDUSSCGKSA-N -1 3 298.386 2.988 20 30 CFEDHM C[N@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1[O-] ZINC001232678579 777640363 /nfs/dbraw/zinc/64/03/63/777640363.db2.gz IMBIAAAZZHUHML-UHFFFAOYSA-N -1 3 268.316 2.601 20 30 CFEDHM C[N@@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1[O-] ZINC001232678579 777640367 /nfs/dbraw/zinc/64/03/67/777640367.db2.gz IMBIAAAZZHUHML-UHFFFAOYSA-N -1 3 268.316 2.601 20 30 CFEDHM CN(Cc1ccc(Cl)nc1)Cc1cc(C#N)ccc1[O-] ZINC001232678967 777640653 /nfs/dbraw/zinc/64/06/53/777640653.db2.gz WJKSISDVTJTOIT-UHFFFAOYSA-N -1 3 287.750 2.944 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694659 777863978 /nfs/dbraw/zinc/86/39/78/777863978.db2.gz HRFIOZNVHHMYCY-ZETCQYMHSA-N -1 3 296.352 2.732 20 30 CFEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001233335200 777892381 /nfs/dbraw/zinc/89/23/81/777892381.db2.gz LJFLWPPQABXJHN-RTCCRHLQSA-N -1 3 278.302 2.937 20 30 CFEDHM CCCCN(CCC#N)Cc1ccc(C#N)cc1[O-] ZINC001233385886 777926096 /nfs/dbraw/zinc/92/60/96/777926096.db2.gz WYTCPXLZMRMLDD-UHFFFAOYSA-N -1 3 257.337 2.780 20 30 CFEDHM N#Cc1ccc(CN2CCc3c(O)cccc3C2)c([O-])c1 ZINC001233383524 777927557 /nfs/dbraw/zinc/92/75/57/777927557.db2.gz LCNPIMMFPGABSR-UHFFFAOYSA-N -1 3 280.327 2.528 20 30 CFEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCCCC1=O ZINC001233527746 777979776 /nfs/dbraw/zinc/97/97/76/777979776.db2.gz CFAMWWWUBVARIS-OAHLLOKOSA-N -1 3 257.289 2.673 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1ccc2occ([O-])c2c1 ZINC001233681369 778038223 /nfs/dbraw/zinc/03/82/23/778038223.db2.gz WHCVVJQNDGVSAI-LLVKDONJSA-N -1 3 274.392 2.910 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)[C@H](C)S ZINC001233803631 778081983 /nfs/dbraw/zinc/08/19/83/778081983.db2.gz RHTYUFYRPBLPTF-JWYMGWFMSA-N -1 3 255.339 2.589 20 30 CFEDHM CC[C@@H]1OC(=O)C(Oc2ccc(C(C)=N[O-])cc2)=C1C ZINC001234083597 778161334 /nfs/dbraw/zinc/16/13/34/778161334.db2.gz PDNSVTUHXUIPLE-ZDUSSCGKSA-N -1 3 275.304 2.873 20 30 CFEDHM N#Cc1cc([O-])cc(O[C@@H]2CC(F)(F)C2(F)F)c1 ZINC001234143971 778175031 /nfs/dbraw/zinc/17/50/31/778175031.db2.gz IHGYVYPBQDTSDL-SECBINFHSA-N -1 3 261.174 2.686 20 30 CFEDHM N#CC[C@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234149893 778177496 /nfs/dbraw/zinc/17/74/96/778177496.db2.gz RTYLBWAKMQCCHZ-ZDUSSCGKSA-N -1 3 282.299 2.525 20 30 CFEDHM COC1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234511318 778240525 /nfs/dbraw/zinc/24/05/25/778240525.db2.gz NFNGVJUIRFYFMS-UHFFFAOYSA-N -1 3 299.330 2.543 20 30 CFEDHM COc1cc([O-])c(C)c(O[C@H](C)[C@H](C)S)c1C(C)=O ZINC001234793525 778298494 /nfs/dbraw/zinc/29/84/94/778298494.db2.gz PWVUJZZIDGUARB-ZJUUUORDSA-N -1 3 284.377 2.997 20 30 CFEDHM COc1cc([O-])c(C)c(O[C@@H](C)CS)c1C(C)=O ZINC001234792778 778299172 /nfs/dbraw/zinc/29/91/72/778299172.db2.gz HXRWFNMTQWMMHI-ZETCQYMHSA-N -1 3 270.350 2.609 20 30 CFEDHM C#C[C@H](CC(C)C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234925184 778330192 /nfs/dbraw/zinc/33/01/92/778330192.db2.gz YOPSKSDVLRTFQA-SNVBAGLBSA-N -1 3 278.377 2.647 20 30 CFEDHM N#C[C@H]1COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996302 778347624 /nfs/dbraw/zinc/34/76/24/778347624.db2.gz ACIWWYHMQQQCOW-INIZCTEOSA-N -1 3 294.354 2.784 20 30 CFEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000127987203 778467981 /nfs/dbraw/zinc/46/79/81/778467981.db2.gz ZSYVNRWGISSHPW-CYBMUJFWSA-N -1 3 268.272 2.549 20 30 CFEDHM C=CCCSCCNCc1cc(C(=O)[O-])c(C)o1 ZINC000696068946 778829191 /nfs/dbraw/zinc/82/91/91/778829191.db2.gz PDELZYLESLKVLK-UHFFFAOYSA-N -1 3 269.366 2.685 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C#N)cc1F ZINC001236535239 778868457 /nfs/dbraw/zinc/86/84/57/778868457.db2.gz WSNKQMRGQYBVCG-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C#N)cc1F ZINC001236535239 778868465 /nfs/dbraw/zinc/86/84/65/778868465.db2.gz WSNKQMRGQYBVCG-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccoc1C ZINC000129874171 778870986 /nfs/dbraw/zinc/87/09/86/778870986.db2.gz LRCZXZQWPMWQBN-GFCCVEGCSA-N -1 3 298.298 2.558 20 30 CFEDHM COc1cc(C(F)(F)F)c(C#N)c(-c2cncc([O-])c2)n1 ZINC001236573424 778879731 /nfs/dbraw/zinc/87/97/31/778879731.db2.gz GNRJUZLROBHRIU-UHFFFAOYSA-N -1 3 295.220 2.748 20 30 CFEDHM C#C[C@@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236698878 778914293 /nfs/dbraw/zinc/91/42/93/778914293.db2.gz NJHYPVIIZXVYMQ-LLVKDONJSA-N -1 3 294.192 3.000 20 30 CFEDHM Cc1cc([O-])c(CN2CC(CC#N)C2)cc1Br ZINC001237676547 779159811 /nfs/dbraw/zinc/15/98/11/779159811.db2.gz KOIQAAUMKPMKGB-UHFFFAOYSA-N -1 3 295.180 2.809 20 30 CFEDHM CC(C)Oc1cncc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001122717926 779288051 /nfs/dbraw/zinc/28/80/51/779288051.db2.gz PXNTZJSKIXTOOV-ZDUSSCGKSA-N -1 3 299.305 2.893 20 30 CFEDHM CNC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240016815 779914771 /nfs/dbraw/zinc/91/47/71/779914771.db2.gz WABHUIIALIWTRR-UHFFFAOYSA-N -1 3 254.289 2.521 20 30 CFEDHM CNC(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240016931 779914854 /nfs/dbraw/zinc/91/48/54/779914854.db2.gz CHSCXQCHFXYYEW-GIJQJNRQSA-N -1 3 272.279 2.660 20 30 CFEDHM N#Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1F ZINC001240162729 779980410 /nfs/dbraw/zinc/98/04/10/779980410.db2.gz QUBKHKQXSJPHRD-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1F ZINC001240162729 779980416 /nfs/dbraw/zinc/98/04/16/779980416.db2.gz QUBKHKQXSJPHRD-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM CC(=O)NCc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001240353272 780104278 /nfs/dbraw/zinc/10/42/78/780104278.db2.gz XGQBOKSAURVNMH-VXLYETTFSA-N -1 3 286.306 2.937 20 30 CFEDHM C=CCNC(=O)c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241260966 780741393 /nfs/dbraw/zinc/74/13/93/780741393.db2.gz DLQJZMUEGRZTGJ-UHFFFAOYSA-N -1 3 272.279 2.509 20 30 CFEDHM N#CCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241443653 780893718 /nfs/dbraw/zinc/89/37/18/780893718.db2.gz WJOITBWVTYJFRC-UHFFFAOYSA-N -1 3 261.288 2.600 20 30 CFEDHM N#CCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241443653 780893723 /nfs/dbraw/zinc/89/37/23/780893723.db2.gz WJOITBWVTYJFRC-UHFFFAOYSA-N -1 3 261.288 2.600 20 30 CFEDHM COc1ccc(-c2ccc(/C(C)=N/[O-])cc2)c(OC)n1 ZINC001241578753 780995097 /nfs/dbraw/zinc/99/50/97/780995097.db2.gz GYPDROFUWSJYLU-LICLKQGHSA-N -1 3 272.304 2.964 20 30 CFEDHM N#Cc1cc2c(ccn2-c2cccc([O-])c2F)c(N)c1 ZINC001212551368 781047409 /nfs/dbraw/zinc/04/74/09/781047409.db2.gz NXMPQAUHVOFSPB-UHFFFAOYSA-N -1 3 267.263 2.929 20 30 CFEDHM N#Cc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242275340 781358024 /nfs/dbraw/zinc/35/80/24/781358024.db2.gz CACPVVACJBFPBR-UHFFFAOYSA-N -1 3 251.314 2.916 20 30 CFEDHM CC1(C)CC(=O)C=C(c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001242315896 781393949 /nfs/dbraw/zinc/39/39/49/781393949.db2.gz GGUPXUKDTAKINW-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM CC1(C)CC(=O)C=C(c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001242315896 781393956 /nfs/dbraw/zinc/39/39/56/781393956.db2.gz GGUPXUKDTAKINW-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(C#N)c1 ZINC001242594693 781626019 /nfs/dbraw/zinc/62/60/19/781626019.db2.gz SDQYUWIWBHJIRR-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(C#N)c1 ZINC001242594693 781626024 /nfs/dbraw/zinc/62/60/24/781626024.db2.gz SDQYUWIWBHJIRR-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000595400038 349617199 /nfs/dbraw/zinc/61/71/99/349617199.db2.gz UIHFCABIRFHMKK-UHFFFAOYSA-N -1 3 296.367 2.720 20 30 CFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCCCC(C)(C)C#N)n1 ZINC000595521201 349649710 /nfs/dbraw/zinc/64/97/10/349649710.db2.gz XVEBRPIQFUPHSR-UHFFFAOYSA-N -1 3 276.384 2.645 20 30 CFEDHM CSCCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596130603 349802106 /nfs/dbraw/zinc/80/21/06/349802106.db2.gz SZMKWTSSZCXVCP-UHFFFAOYSA-N -1 3 261.803 2.645 20 30 CFEDHM COCCC1(CN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596158598 349812841 /nfs/dbraw/zinc/81/28/41/349812841.db2.gz AIHHOKSELOZNHP-UHFFFAOYSA-N -1 3 285.800 2.709 20 30 CFEDHM CCOCC(C)(C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596235010 349834712 /nfs/dbraw/zinc/83/47/12/349834712.db2.gz PTWQCNSRNSFUDY-UHFFFAOYSA-N -1 3 273.789 2.565 20 30 CFEDHM CC(C)[C@H]1C[C@H](CN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596253864 349842086 /nfs/dbraw/zinc/84/20/86/349842086.db2.gz FUXZULCGXLFZPG-MWLCHTKSSA-N -1 3 299.827 2.953 20 30 CFEDHM CN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000334685248 529867851 /nfs/dbraw/zinc/86/78/51/529867851.db2.gz JANQKNJKFCNFDD-UHFFFAOYSA-N -1 3 254.289 2.531 20 30 CFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC)cc1[O-] ZINC000442704227 539378886 /nfs/dbraw/zinc/37/88/86/539378886.db2.gz PWPYHOQSOPSZNL-HNNXBMFYSA-N -1 3 279.336 2.568 20 30 CFEDHM Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000031286649 346293105 /nfs/dbraw/zinc/29/31/05/346293105.db2.gz XDEMSRALCDKHRQ-UHFFFAOYSA-N -1 3 280.327 2.845 20 30 CFEDHM Cc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574040 346352510 /nfs/dbraw/zinc/35/25/10/346352510.db2.gz UBQZUNFGMUXFLS-CQSZACIVSA-N -1 3 265.316 2.892 20 30 CFEDHM Cc1ccc(NC(=O)CNc2ccc(C#N)cc2)c([O-])c1 ZINC000050026333 346489191 /nfs/dbraw/zinc/48/91/91/346489191.db2.gz AWSSOKAYOVKIPK-UHFFFAOYSA-N -1 3 281.315 2.623 20 30 CFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057606782 346632458 /nfs/dbraw/zinc/63/24/58/346632458.db2.gz OINOTNJLCYLGQD-QMMMGPOBSA-N -1 3 292.813 2.618 20 30 CFEDHM Cc1cccc(NC(=O)c2cc(C#N)cs2)c1[O-] ZINC000084407964 347463359 /nfs/dbraw/zinc/46/33/59/347463359.db2.gz VJWXAUZREURMSE-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM CCN(CC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094055576 347690610 /nfs/dbraw/zinc/69/06/10/347690610.db2.gz UIZRHMAIVHDQOZ-UHFFFAOYSA-N -1 3 294.354 2.969 20 30 CFEDHM C[C@@H](C#N)CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279490212 348339956 /nfs/dbraw/zinc/33/99/56/348339956.db2.gz JDXONDDBXDMHTJ-NSHDSACASA-N -1 3 268.316 2.777 20 30 CFEDHM C[C@@H](CC#N)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280928958 348341839 /nfs/dbraw/zinc/34/18/39/348341839.db2.gz OVLCZMUKUCPBEH-NSHDSACASA-N -1 3 268.316 2.920 20 30 CFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000596791926 349990216 /nfs/dbraw/zinc/99/02/16/349990216.db2.gz FYTQVRFMZVTPDE-ZETCQYMHSA-N -1 3 283.125 2.643 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)F)cc1)c1ccncn1 ZINC000354482460 348501335 /nfs/dbraw/zinc/50/13/35/348501335.db2.gz ZXUMUFWXHLGDGQ-NSHDSACASA-N -1 3 273.242 2.904 20 30 CFEDHM COc1cccc(C(=O)N2CCC(CCC#N)CC2)c1[O-] ZINC000399341899 348569591 /nfs/dbraw/zinc/56/95/91/348569591.db2.gz IDCKTIAHVHAYSY-UHFFFAOYSA-N -1 3 288.347 2.557 20 30 CFEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCC3)co1 ZINC000588816299 348797058 /nfs/dbraw/zinc/79/70/58/348797058.db2.gz RLUATXXKFAHKDR-UHFFFAOYSA-N -1 3 273.317 2.657 20 30 CFEDHM CCOc1cc(-c2noc(CC3(C#N)CC3)n2)ccc1[O-] ZINC000590273084 348889361 /nfs/dbraw/zinc/88/93/61/348889361.db2.gz LOPRWFGOVJEHDF-UHFFFAOYSA-N -1 3 285.303 2.687 20 30 CFEDHM C[C@H](CC#N)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000590440058 348900770 /nfs/dbraw/zinc/90/07/70/348900770.db2.gz CFBVZZFKFWMOMT-MRVPVSSYSA-N -1 3 286.253 2.785 20 30 CFEDHM CC(C)CC1(C[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593560420 349292838 /nfs/dbraw/zinc/29/28/38/349292838.db2.gz NRAUOJYPBMXKSD-UHFFFAOYSA-N -1 3 298.433 2.724 20 30 CFEDHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593563691 349294028 /nfs/dbraw/zinc/29/40/28/349294028.db2.gz RFDMUBRBGHVJSV-LBPRGKRZSA-N -1 3 298.433 2.867 20 30 CFEDHM N#CC1(CNC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000593787709 349328016 /nfs/dbraw/zinc/32/80/16/349328016.db2.gz ZJYODZULSMCJJU-UHFFFAOYSA-N -1 3 278.739 2.859 20 30 CFEDHM CCOC(=O)c1ccc(NC(=O)CCCCC#N)c([O-])c1 ZINC000594331817 349408225 /nfs/dbraw/zinc/40/82/25/349408225.db2.gz KAGCYCHQTJBASY-UHFFFAOYSA-N -1 3 290.319 2.591 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000597714567 350127593 /nfs/dbraw/zinc/12/75/93/350127593.db2.gz BPWJAZNQKAWVRQ-QWRGUYRKSA-N -1 3 290.388 2.926 20 30 CFEDHM 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CC[C@H](C)CO[N-]C(=O)Nc1ccc(F)c(C#N)c1 ZINC000292946640 381917869 /nfs/dbraw/zinc/91/78/69/381917869.db2.gz NVGBWROMGWFPTP-VIFPVBQESA-N -1 3 265.288 2.797 20 30 CFEDHM Cn1cccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362141633 381926419 /nfs/dbraw/zinc/92/64/19/381926419.db2.gz YCSVQUYAXCZEPD-JTQLQIEISA-N -1 3 293.248 2.929 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000299312828 381893434 /nfs/dbraw/zinc/89/34/34/381893434.db2.gz OXBJZRQHYMGYIO-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000299312828 381893439 /nfs/dbraw/zinc/89/34/39/381893439.db2.gz OXBJZRQHYMGYIO-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000299312828 381893446 /nfs/dbraw/zinc/89/34/46/381893446.db2.gz OXBJZRQHYMGYIO-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM Cc1ccc(C#N)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417003750 381983183 /nfs/dbraw/zinc/98/31/83/381983183.db2.gz BTDZVZAVMSBFDB-UHFFFAOYSA-N -1 3 280.331 2.852 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(C)c(F)c1 ZINC000417622956 382061146 /nfs/dbraw/zinc/06/11/46/382061146.db2.gz IHPWCSIZRSSYPP-GFCCVEGCSA-N -1 3 251.301 2.643 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000293469403 382136011 /nfs/dbraw/zinc/13/60/11/382136011.db2.gz RMFBNOPGWPNPJM-UHFFFAOYSA-N -1 3 291.244 2.671 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cccc(SCC#N)c2)n1 ZINC000345986760 382326685 /nfs/dbraw/zinc/32/66/85/382326685.db2.gz OHZAYUGYHNQDDK-UHFFFAOYSA-N -1 3 299.355 2.964 20 30 CFEDHM C=C(C)CNCc1cccc([O-])c1Br ZINC000315326826 382527700 /nfs/dbraw/zinc/52/77/00/382527700.db2.gz IGNGBBNAKVYDRH-UHFFFAOYSA-N -1 3 256.143 2.820 20 30 CFEDHM N#CC(=C([O-])c1ccc(OCC2CC2)cc1)c1ccncn1 ZINC000680617789 542343163 /nfs/dbraw/zinc/34/31/63/542343163.db2.gz FHHWOODDUSETOE-HNNXBMFYSA-N -1 3 293.326 2.755 20 30 CFEDHM C[C@H](C#N)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189392133 382601942 /nfs/dbraw/zinc/60/19/42/382601942.db2.gz LZXIZHUBOHPECB-SSDOTTSWSA-N -1 3 294.767 2.681 20 30 CFEDHM CCCCOc1ccc(C(=O)N[C@@H](C)CC#N)c([O-])c1 ZINC000190229861 382658107 /nfs/dbraw/zinc/65/81/07/382658107.db2.gz KUHQKZGCMJNVBS-NSHDSACASA-N -1 3 276.336 2.603 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(C#N)cc2)n1 ZINC000192528319 382709857 /nfs/dbraw/zinc/70/98/57/382709857.db2.gz GBGDMCIMJALARD-LBPRGKRZSA-N -1 3 282.347 2.555 20 30 CFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000230339433 382859378 /nfs/dbraw/zinc/85/93/78/382859378.db2.gz JKYHBKOCPKFTEN-SNVBAGLBSA-N -1 3 298.433 2.867 20 30 CFEDHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230341566 382859560 /nfs/dbraw/zinc/85/95/60/382859560.db2.gz MLUSMRDUXXPCIC-UHFFFAOYSA-N -1 3 286.422 2.867 20 30 CFEDHM COc1ccc(NC(=O)c2ccc(CC#N)cc2)c([O-])c1 ZINC000442701034 382945996 /nfs/dbraw/zinc/94/59/96/382945996.db2.gz UHHJXXZPVJKKGA-UHFFFAOYSA-N -1 3 282.299 2.719 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)C(C)C)c1 ZINC000536685837 382956999 /nfs/dbraw/zinc/95/69/99/382956999.db2.gz KONUPDYUGTYMIQ-UHFFFAOYSA-N -1 3 260.337 2.719 20 30 CFEDHM CC(C)(C)C1CC([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000339022715 383124187 /nfs/dbraw/zinc/12/41/87/383124187.db2.gz TWSBOMJULSPKHD-UHFFFAOYSA-N -1 3 298.433 2.723 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1cccs1 ZINC000583332742 383088960 /nfs/dbraw/zinc/08/89/60/383088960.db2.gz RVZMWBJSVHYQPI-UHFFFAOYSA-N -1 3 259.396 2.773 20 30 CFEDHM C=C(C)CN(CC)Cc1ccc(F)cc1C(=O)[O-] ZINC000566359844 383185978 /nfs/dbraw/zinc/18/59/78/383185978.db2.gz YNKMCVYHIVQOLH-UHFFFAOYSA-N -1 3 251.301 2.922 20 30 CFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](CCC)C(=O)[O-] ZINC000568061649 383351547 /nfs/dbraw/zinc/35/15/47/383351547.db2.gz MUICJHYFUALEGR-CQSZACIVSA-N -1 3 292.335 2.836 20 30 CFEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000449827598 383367734 /nfs/dbraw/zinc/36/77/34/383367734.db2.gz IEQSGGNCSXZWJB-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000449827598 383367742 /nfs/dbraw/zinc/36/77/42/383367742.db2.gz IEQSGGNCSXZWJB-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM N#Cc1ccc(CN(C(=O)c2csc(=O)[n-]2)C2CC2)cc1 ZINC000526923854 383436720 /nfs/dbraw/zinc/43/67/20/383436720.db2.gz WWAYEIBFRIMYNH-UHFFFAOYSA-N -1 3 299.355 2.525 20 30 CFEDHM C=CCC1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCCC1 ZINC000570249572 383586371 /nfs/dbraw/zinc/58/63/71/383586371.db2.gz JVFCWDHXYHDQHX-CYBMUJFWSA-N -1 3 289.379 2.758 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320574 383762667 /nfs/dbraw/zinc/76/26/67/383762667.db2.gz IDLKOGPNFATSJP-INIZCTEOSA-N -1 3 289.379 2.668 20 30 CFEDHM CCc1cccc(C(=O)NCC#Cc2ccccc2)c1[O-] ZINC000531355743 383855155 /nfs/dbraw/zinc/85/51/55/383855155.db2.gz SRPMTNBLMCTEEM-UHFFFAOYSA-N -1 3 279.339 2.736 20 30 CFEDHM CC(C)c1ccc(C(=O)NCC(C)(C)C#N)c([O-])c1 ZINC000436719760 383880330 /nfs/dbraw/zinc/88/03/30/383880330.db2.gz PYVAFVUDGXZOPA-UHFFFAOYSA-N -1 3 260.337 2.795 20 30 CFEDHM Cc1ccc(C(=O)NCCc2cccc(C#N)c2)c([O-])c1C ZINC000436750586 383890353 /nfs/dbraw/zinc/89/03/53/383890353.db2.gz NZJKZCMMYLIYTI-UHFFFAOYSA-N -1 3 294.354 2.853 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436962179 383897504 /nfs/dbraw/zinc/89/75/04/383897504.db2.gz BIVWTUQANZHFFM-NSHDSACASA-N -1 3 259.349 2.965 20 30 CFEDHM C=C(C)[C@H](CC(=O)Nc1cc(F)ccc1[O-])OCC ZINC000270407916 385091549 /nfs/dbraw/zinc/09/15/49/385091549.db2.gz ICQRXERMNAHRAP-ZDUSSCGKSA-N -1 3 267.300 2.841 20 30 CFEDHM C[C@@H]1CCCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329912305 533587945 /nfs/dbraw/zinc/58/79/45/533587945.db2.gz OGKGCAJYHMVZNA-BDAKNGLRSA-N -1 3 254.355 2.980 20 30 CFEDHM CCn1nccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000682995045 542623448 /nfs/dbraw/zinc/62/34/48/542623448.db2.gz NVTDZFUWLRNRFS-CQSZACIVSA-N -1 3 290.326 2.941 20 30 CFEDHM CCCOc1ccc(CN(C)[C@H](C)CC#N)c([O-])c1 ZINC000093090951 393794779 /nfs/dbraw/zinc/79/47/79/393794779.db2.gz NNMZPWMHPIYJKC-GFCCVEGCSA-N -1 3 262.353 2.915 20 30 CFEDHM N#CCCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345615151 393912344 /nfs/dbraw/zinc/91/23/44/393912344.db2.gz WBOKVQDOGRWJBQ-UHFFFAOYSA-N -1 3 278.327 2.664 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000416953154 393946698 /nfs/dbraw/zinc/94/66/98/393946698.db2.gz HJVIVAWUDBLHGL-ZDUSSCGKSA-N -1 3 296.392 2.826 20 30 CFEDHM CCc1ccc(CC)c([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416959070 393946781 /nfs/dbraw/zinc/94/67/81/393946781.db2.gz PRGALKRIXWSBOU-ZDUSSCGKSA-N -1 3 280.393 2.855 20 30 CFEDHM CC[C@@](C)(C#N)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000352886954 394020849 /nfs/dbraw/zinc/02/08/49/394020849.db2.gz XTRJPVMKAXXEJF-KRWDZBQOSA-N -1 3 296.374 2.994 20 30 CFEDHM C=CCOc1ccc(CNCc2ncccc2[O-])cc1 ZINC000348666003 393956316 /nfs/dbraw/zinc/95/63/16/393956316.db2.gz AUAVONIYRCAWJG-UHFFFAOYSA-N -1 3 270.332 2.642 20 30 CFEDHM CCC(=O)N1CC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000122905911 393973644 /nfs/dbraw/zinc/97/36/44/393973644.db2.gz VFIPXLXGZHWCRO-YRIIZNAFSA-N -1 3 296.370 2.975 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(C)ccc1F ZINC000417625792 393985887 /nfs/dbraw/zinc/98/58/87/393985887.db2.gz MVCLRUQNCAZBTA-GFCCVEGCSA-N -1 3 251.301 2.643 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(Br)c1 ZINC000417632163 393987403 /nfs/dbraw/zinc/98/74/03/393987403.db2.gz WLGUZHPTJRUYCW-GFCCVEGCSA-N -1 3 298.180 2.958 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(F)c(C)c1 ZINC000417632773 393987563 /nfs/dbraw/zinc/98/75/63/393987563.db2.gz XAMVYEAVFNRIEG-LBPRGKRZSA-N -1 3 251.301 2.643 20 30 CFEDHM C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)c2c([O-])cccc21 ZINC000274427768 394042648 /nfs/dbraw/zinc/04/26/48/394042648.db2.gz ZYYBMKZGAFZBDB-JTQLQIEISA-N -1 3 281.315 2.746 20 30 CFEDHM C#CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000491513910 394052289 /nfs/dbraw/zinc/05/22/89/394052289.db2.gz FDYIAFNDCYLZNI-UHFFFAOYSA-N -1 3 265.312 2.783 20 30 CFEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000281948183 394099150 /nfs/dbraw/zinc/09/91/50/394099150.db2.gz SUKZAYLRPWIZHY-LLVKDONJSA-N -1 3 266.316 2.685 20 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FIZCCJODKAOBSD-FZMZJTMJSA-N -1 3 298.383 2.634 20 30 CFEDHM C=CCn1c(SC[C@H](CC)CC(F)F)n[n-]c1=O ZINC000657251485 413365540 /nfs/dbraw/zinc/36/55/40/413365540.db2.gz DBMRYWVRKFMNHF-MRVPVSSYSA-N -1 3 277.340 2.943 20 30 CFEDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(C#N)s2)C[C@@H](C)C1 ZINC000230341413 287229006 /nfs/dbraw/zinc/22/90/06/287229006.db2.gz DEFLPBBSLNSAPO-UWVGGRQHSA-N -1 3 298.433 2.723 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000660142657 414669767 /nfs/dbraw/zinc/66/97/67/414669767.db2.gz AFGQSIUCLFOIBW-UHFFFAOYSA-N -1 3 289.347 2.988 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000660143539 414670770 /nfs/dbraw/zinc/67/07/70/414670770.db2.gz UPPUXEWOXZSWAK-UHFFFAOYSA-N -1 3 299.440 2.562 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000046705846 175398275 /nfs/dbraw/zinc/39/82/75/175398275.db2.gz QCTICUGYSXLZGB-LBPRGKRZSA-N -1 3 281.271 2.788 20 30 CFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(F)ccc1[O-] ZINC000188643441 260169949 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2.851 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000553538281 334390474 /nfs/dbraw/zinc/39/04/74/334390474.db2.gz FRYQQNCXDWLLPQ-SNVBAGLBSA-N -1 3 289.347 2.988 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000152705429 334509596 /nfs/dbraw/zinc/50/95/96/334509596.db2.gz ACHWACODUZVKIT-MRVPVSSYSA-N -1 3 279.283 2.558 20 30 CFEDHM N#CCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000578569123 335650178 /nfs/dbraw/zinc/65/01/78/335650178.db2.gz AMFUJUSPMPVONA-UHFFFAOYSA-N -1 3 283.125 2.787 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000384818103 336132007 /nfs/dbraw/zinc/13/20/07/336132007.db2.gz BIMFONLIJDNOGU-UHFFFAOYSA-N -1 3 298.795 2.702 20 30 CFEDHM Cc1cccc(C([O-])=C(C#N)c2ccncn2)c1C ZINC000354464682 534628380 /nfs/dbraw/zinc/62/83/80/534628380.db2.gz KITSLDAGTVNPGW-CYBMUJFWSA-N -1 3 251.289 2.584 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)[nH]2)c1[O-] ZINC000336433857 524876766 /nfs/dbraw/zinc/87/67/66/524876766.db2.gz VMISFXPLIQDVJV-UHFFFAOYSA-N -1 3 275.695 2.806 20 30 CFEDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000165825471 525332470 /nfs/dbraw/zinc/33/24/70/525332470.db2.gz UVSDILDRFITTEN-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000111235246 526541335 /nfs/dbraw/zinc/54/13/35/526541335.db2.gz KZJCXDQEOKFVOG-AWEZNQCLSA-N -1 3 290.407 2.637 20 30 CFEDHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)CCO1 ZINC000329966774 526678635 /nfs/dbraw/zinc/67/86/35/526678635.db2.gz VUIDQMNSHQBQMA-WPRPVWTQSA-N -1 3 284.381 2.747 20 30 CFEDHM C=C[C@](C)(O)CC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000353356745 527638976 /nfs/dbraw/zinc/63/89/76/527638976.db2.gz ZPBJYINGENMVJP-LBPRGKRZSA-N -1 3 289.253 2.677 20 30 CFEDHM C=C(Br)COC(=O)c1ccc(F)cc1[O-] ZINC000750144302 574049202 /nfs/dbraw/zinc/04/92/02/574049202.db2.gz KUMVLKMRWRCIFM-UHFFFAOYSA-N -1 3 275.073 2.597 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)c1 ZINC000744029972 574049795 /nfs/dbraw/zinc/04/97/95/574049795.db2.gz YQYNAIOQPJYZRG-HSBSLETESA-N -1 3 268.316 2.609 20 30 CFEDHM CCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736423695 574050575 /nfs/dbraw/zinc/05/05/75/574050575.db2.gz NJRIFKODICOGNK-SNVBAGLBSA-N -1 3 298.350 2.503 20 30 CFEDHM CCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736423695 574050577 /nfs/dbraw/zinc/05/05/77/574050577.db2.gz NJRIFKODICOGNK-SNVBAGLBSA-N -1 3 298.350 2.503 20 30 CFEDHM CCOc1ccc(/C=N\CCOC(C)C)c([O-])c1 ZINC000753996580 574062186 /nfs/dbraw/zinc/06/21/86/574062186.db2.gz WNJXCLUGXYBCHN-GDNBJRDFSA-N -1 3 251.326 2.635 20 30 CFEDHM C=C(Cl)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000736688945 574066262 /nfs/dbraw/zinc/06/62/62/574066262.db2.gz MVMSWZWEJQSGKL-UHFFFAOYSA-N -1 3 253.729 2.998 20 30 CFEDHM Cc1c(NN=Cc2cccc(O)c2[O-])cccc1[N+](=O)[O-] ZINC000727972940 574075532 /nfs/dbraw/zinc/07/55/32/574075532.db2.gz LYMBCNBMYWLNCF-UHFFFAOYSA-N -1 3 287.275 2.760 20 30 CFEDHM CC(CCc1ccco1)N=Nc1cn[n-]c(=O)c1Cl ZINC000730568708 574088453 /nfs/dbraw/zinc/08/84/53/574088453.db2.gz XNHPGVIBUSCRJN-UHFFFAOYSA-N -1 3 280.715 2.849 20 30 CFEDHM CC(=O)c1cc(F)cc(CN(C[C@@H](C)C#N)C2CC2)c1[O-] ZINC000754369733 574091751 /nfs/dbraw/zinc/09/17/51/574091751.db2.gz XQKLECDAGGXARZ-JTQLQIEISA-N -1 3 290.338 2.858 20 30 CFEDHM CC(=NNc1cn[nH]c(=O)c1Cl)c1ccc([O-])c(F)c1 ZINC000728426016 574095711 /nfs/dbraw/zinc/09/57/11/574095711.db2.gz SCUWBEQXWVZFJG-UHFFFAOYSA-N -1 3 296.689 2.516 20 30 CFEDHM C=CCC[C@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000756391746 574100631 /nfs/dbraw/zinc/10/06/31/574100631.db2.gz ZPOFJVPBYJIBEH-ZDUSSCGKSA-N -1 3 283.755 2.858 20 30 CFEDHM C=CCOc1ccc(CNCCN(C)C(=O)[O-])cc1Cl ZINC000738505696 574103852 /nfs/dbraw/zinc/10/38/52/574103852.db2.gz QWRYIJPOVGHEGZ-UHFFFAOYSA-N -1 3 298.770 2.604 20 30 CFEDHM C#CCOc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000730952419 574104621 /nfs/dbraw/zinc/10/46/21/574104621.db2.gz VRNGKUGIMIVNHI-UHFFFAOYSA-N -1 3 267.284 2.860 20 30 CFEDHM CC(=NN=C(C)c1ccc(C)cc1[O-])c1cnccn1 ZINC000745200865 574106281 /nfs/dbraw/zinc/10/62/81/574106281.db2.gz CZRTWZBHGGFHGU-UHFFFAOYSA-N -1 3 268.320 2.724 20 30 CFEDHM Cc1ccc([O-])c(CN=Nc2oc(CC(C)C)nc2C#N)n1 ZINC000728781564 574108593 /nfs/dbraw/zinc/10/85/93/574108593.db2.gz XLOPPQFGSRBKIR-UHFFFAOYSA-N -1 3 299.334 2.600 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\Cc2ccc(F)cc2F)c1O ZINC000745624948 574120723 /nfs/dbraw/zinc/12/07/23/574120723.db2.gz QBVJUICFXYKZEN-IDUWFGFVSA-N -1 3 279.242 2.701 20 30 CFEDHM C[C@]1(c2ccccc2)C[C@@H]1/N=C\c1ccc(O)c([O-])c1O ZINC000741465828 574120709 /nfs/dbraw/zinc/12/07/09/574120709.db2.gz YVXPICIZBMATOD-DDMOMDFHSA-N -1 3 283.327 2.953 20 30 CFEDHM N#Cc1cccc(COC(=O)c2cc([O-])cs2)c1 ZINC000731910974 574133583 /nfs/dbraw/zinc/13/35/83/574133583.db2.gz XYFWPDOOXAGKOJ-UHFFFAOYSA-N -1 3 259.286 2.682 20 30 CFEDHM [O-]c1c(F)cccc1CN=Nc1nncc2ccccc21 ZINC000755491739 574165166 /nfs/dbraw/zinc/16/51/66/574165166.db2.gz VTRRJRWSMFDPJI-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000738388075 574167085 /nfs/dbraw/zinc/16/70/85/574167085.db2.gz HURHTBBKVOJEFA-INIZCTEOSA-N -1 3 298.317 2.921 20 30 CFEDHM [O-]c1ccc(CN=Nc2ncc(Cl)cc2Cl)nc1 ZINC000755540720 574167640 /nfs/dbraw/zinc/16/76/40/574167640.db2.gz DCUFXGVTNFKIQB-UHFFFAOYSA-N -1 3 283.118 2.935 20 30 CFEDHM C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738490267 574171320 /nfs/dbraw/zinc/17/13/20/574171320.db2.gz PJNYYFQMKKIEOT-MRXNPFEDSA-N -1 3 299.374 2.546 20 30 CFEDHM [O-]c1ccc(C=NNc2cccc(Br)c2)nc1 ZINC000755624647 574172522 /nfs/dbraw/zinc/17/25/22/574172522.db2.gz KEYLSVOKPFFGQH-UHFFFAOYSA-N -1 3 292.136 2.996 20 30 CFEDHM COc1ccc(C=NNCCCc2ccccc2)c([O-])c1 ZINC000729145767 574178706 /nfs/dbraw/zinc/17/87/06/574178706.db2.gz CYFPLYWZLVNKBI-UHFFFAOYSA-N -1 3 284.359 2.957 20 30 CFEDHM [O-]c1ccc(CN=Nc2cccc(C(F)(F)F)n2)nc1 ZINC000755740071 574183196 /nfs/dbraw/zinc/18/31/96/574183196.db2.gz QFVYBAPCJFNODZ-UHFFFAOYSA-N -1 3 282.225 2.647 20 30 CFEDHM [O-]c1ccc(C=NNc2cccc(C(F)(F)F)n2)nc1 ZINC000755740071 574183199 /nfs/dbraw/zinc/18/31/99/574183199.db2.gz QFVYBAPCJFNODZ-UHFFFAOYSA-N -1 3 282.225 2.647 20 30 CFEDHM [O-]c1ccc(CN=Nc2ncnc3ccsc32)cc1F ZINC000755794107 574187718 /nfs/dbraw/zinc/18/77/18/574187718.db2.gz PZACSLCTRATTSS-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM N#Cc1ccc([C@H](NCc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000739106473 574198949 /nfs/dbraw/zinc/19/89/49/574198949.db2.gz NELORQXSRABBOX-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171578 574200106 /nfs/dbraw/zinc/20/01/06/574200106.db2.gz CKIBAADWKSFOHG-LALPHHSUSA-N -1 3 287.363 2.597 20 30 CFEDHM CCOc1ccc(/C=N/C[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000733205085 574210843 /nfs/dbraw/zinc/21/08/43/574210843.db2.gz JYEFLAUBIVMREQ-KOSUEXCASA-N -1 3 291.269 2.787 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000739425251 574213549 /nfs/dbraw/zinc/21/35/49/574213549.db2.gz CTZBQVNKIBUYEX-BAHQVNQBSA-N -1 3 276.380 2.832 20 30 CFEDHM CC(=NNc1cn[nH]c(=O)c1Cl)c1ccc([O-])cc1F ZINC000729933026 574238562 /nfs/dbraw/zinc/23/85/62/574238562.db2.gz ULMWEHJJSUHPMH-UHFFFAOYSA-N -1 3 296.689 2.516 20 30 CFEDHM CCCCOC(=O)C/N=C\c1ccc(OCC)cc1[O-] ZINC000730146555 574256083 /nfs/dbraw/zinc/25/60/83/574256083.db2.gz BAYHUOZVEBHQCH-YBEGLDIGSA-N -1 3 279.336 2.553 20 30 CFEDHM COCCON=C(C)c1cc(Br)ccc1[O-] ZINC000748791328 574267177 /nfs/dbraw/zinc/26/71/77/574267177.db2.gz JKYHBBNPOHFJPL-UHFFFAOYSA-N -1 3 288.141 2.542 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC[C@H]1CCCO1 ZINC000734303019 574281002 /nfs/dbraw/zinc/28/10/02/574281002.db2.gz ADJCGGRAGPMMMR-WPBJZHHJSA-N -1 3 283.755 2.660 20 30 CFEDHM CCOc1ccc(/C=N\C[C@H](O)c2ccc(C)o2)c([O-])c1 ZINC000741165636 574282497 /nfs/dbraw/zinc/28/24/97/574282497.db2.gz PISMBJPBBYDUFG-MBBOSUJBSA-N -1 3 289.331 2.845 20 30 CFEDHM [O-]c1ccc(F)cc1CN=Nc1ncnc2sccc21 ZINC000755589070 574302848 /nfs/dbraw/zinc/30/28/48/574302848.db2.gz MJSYAWPUZQXOPP-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM C#CCOc1cc(F)ccc1NCc1nc(C)ccc1[O-] ZINC000742376556 574326279 /nfs/dbraw/zinc/32/62/79/574326279.db2.gz XODTVEPJULVEDR-UHFFFAOYSA-N -1 3 286.306 2.859 20 30 CFEDHM C=CC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccncc1 ZINC000750195691 574330535 /nfs/dbraw/zinc/33/05/35/574330535.db2.gz LILOAZXMPCDULA-HNNXBMFYSA-N -1 3 298.342 2.843 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735602374 574330752 /nfs/dbraw/zinc/33/07/52/574330752.db2.gz NVIOCMCJNSIYEC-UHFFFAOYSA-N -1 3 298.394 2.628 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735602374 574330755 /nfs/dbraw/zinc/33/07/55/574330755.db2.gz NVIOCMCJNSIYEC-UHFFFAOYSA-N -1 3 298.394 2.628 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735602926 574330890 /nfs/dbraw/zinc/33/08/90/574330890.db2.gz RVAILVGYUPFXPC-UHFFFAOYSA-N -1 3 298.394 2.628 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735602926 574330892 /nfs/dbraw/zinc/33/08/92/574330892.db2.gz RVAILVGYUPFXPC-UHFFFAOYSA-N -1 3 298.394 2.628 20 30 CFEDHM COc1ccc(C(C)=NO[C@@H]2CCCCO2)c([O-])c1 ZINC000755824095 574350860 /nfs/dbraw/zinc/35/08/60/574350860.db2.gz UYTCZFZRGIAOMY-CQSZACIVSA-N -1 3 265.309 2.668 20 30 CFEDHM CCOc1ccc(/C=N/C[C@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000743043913 574352486 /nfs/dbraw/zinc/35/24/86/574352486.db2.gz BWYYZUULUHZAHX-VAKHEIKFSA-N -1 3 293.363 2.798 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1ccc(O)cc1[O-] ZINC000750938451 574364183 /nfs/dbraw/zinc/36/41/83/574364183.db2.gz HTSPHNWRHCNXSH-UHFFFAOYSA-N -1 3 260.268 2.991 20 30 CFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=CC1CC1 ZINC000744011230 574375881 /nfs/dbraw/zinc/37/58/81/574375881.db2.gz XOVBEIBJIZDTED-IDVQTMNDSA-N -1 3 265.316 2.716 20 30 CFEDHM N#CC(=C([O-])c1ccc(C#N)[nH]1)c1ccc2ccccc2n1 ZINC000752474448 574391642 /nfs/dbraw/zinc/39/16/42/574391642.db2.gz UKYPBHLNSAZMSF-ZDUSSCGKSA-N -1 3 286.294 2.925 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@H](OC)C1(C)C ZINC000753139314 574399211 /nfs/dbraw/zinc/39/92/11/574399211.db2.gz SIXYDVRHUDHTDP-PHJLPTPPSA-N -1 3 263.337 2.633 20 30 CFEDHM CCOc1ccc(/C=N\[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000753637970 574407359 /nfs/dbraw/zinc/40/73/59/574407359.db2.gz GVAZFKMQBVHPOZ-VYTWAJQNSA-N -1 3 263.337 2.513 20 30 CFEDHM Cn1c(=O)oc2c1cccc2N=Cc1ccccc1[O-] ZINC000753638086 574407401 /nfs/dbraw/zinc/40/74/01/574407401.db2.gz HPCABVNVVIQADY-UHFFFAOYSA-N -1 3 268.272 2.588 20 30 CFEDHM CCn1nccc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000753718198 574408711 /nfs/dbraw/zinc/40/87/11/574408711.db2.gz TXOJJHVKYKZLFI-ALCCZGGFSA-N -1 3 256.305 2.813 20 30 CFEDHM CC[C@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820971817 607253991 /nfs/dbraw/zinc/25/39/91/607253991.db2.gz GIPARPRUBYWUQF-LBPRGKRZSA-N -1 3 298.394 2.913 20 30 CFEDHM CC[C@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820971817 607253992 /nfs/dbraw/zinc/25/39/92/607253992.db2.gz GIPARPRUBYWUQF-LBPRGKRZSA-N -1 3 298.394 2.913 20 30 CFEDHM Cc1c(C#N)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822015982 607256427 /nfs/dbraw/zinc/25/64/27/607256427.db2.gz RNDRCXAGRNDZMF-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(C#N)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822015982 607256428 /nfs/dbraw/zinc/25/64/28/607256428.db2.gz RNDRCXAGRNDZMF-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N([O-])Cc1ccc(F)cc1 ZINC000900094838 620637070 /nfs/dbraw/zinc/63/70/70/620637070.db2.gz SPWLOXSEPFPTIL-WDNDVIMCSA-N -1 3 263.312 2.980 20 30 CFEDHM O=C([C@H]1CCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900097025 620637580 /nfs/dbraw/zinc/63/75/80/620637580.db2.gz YRURAVYHIAQRMX-VIFPVBQESA-N -1 3 290.146 2.748 20 30 CFEDHM CN(Cc1cccc(F)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830844840 601309423 /nfs/dbraw/zinc/30/94/23/601309423.db2.gz JBOZDHXDSCFUAQ-INIZCTEOSA-N -1 3 298.317 2.955 20 30 CFEDHM CN(Cc1cccc(O)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830851890 601318702 /nfs/dbraw/zinc/31/87/02/601318702.db2.gz HYVHEGZOXNNIHH-INIZCTEOSA-N -1 3 296.326 2.522 20 30 CFEDHM CN(Cc1cccc(O)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830851891 601318760 /nfs/dbraw/zinc/31/87/60/601318760.db2.gz HYVHEGZOXNNIHH-MRXNPFEDSA-N -1 3 296.326 2.522 20 30 CFEDHM C=CCCSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823899253 607535303 /nfs/dbraw/zinc/53/53/03/607535303.db2.gz RRPBBIIKTQCBCX-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C=CCCSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823899253 607535305 /nfs/dbraw/zinc/53/53/05/607535305.db2.gz RRPBBIIKTQCBCX-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM CCC(CC)(CNC(=O)[O-])NCc1ccc(C#N)cc1F ZINC000739254121 603130127 /nfs/dbraw/zinc/13/01/27/603130127.db2.gz LYRVJTYONACUMY-UHFFFAOYSA-N -1 3 293.342 2.613 20 30 CFEDHM C[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)C1 ZINC000824859235 607654260 /nfs/dbraw/zinc/65/42/60/607654260.db2.gz OOABWDJQMPIHDF-TXEJJXNPSA-N -1 3 298.394 2.768 20 30 CFEDHM C=CCCC(=NNCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823888842 607654043 /nfs/dbraw/zinc/65/40/43/607654043.db2.gz YIBRAKFKSPIJBV-UHFFFAOYSA-N -1 3 296.378 2.689 20 30 CFEDHM C=CCCC(=NNCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823888842 607654044 /nfs/dbraw/zinc/65/40/44/607654044.db2.gz YIBRAKFKSPIJBV-UHFFFAOYSA-N -1 3 296.378 2.689 20 30 CFEDHM C[C@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824859235 607654262 /nfs/dbraw/zinc/65/42/62/607654262.db2.gz OOABWDJQMPIHDF-TXEJJXNPSA-N -1 3 298.394 2.768 20 30 CFEDHM C=CC1(CC(=O)[N-]OCCSC)CCCCC1 ZINC000935756764 649939335 /nfs/dbraw/zinc/93/93/35/649939335.db2.gz PTMPXCOXIIRWNG-UHFFFAOYSA-N -1 3 257.399 2.924 20 30 CFEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000833406144 604974098 /nfs/dbraw/zinc/97/40/98/604974098.db2.gz CHUYRJUOLDLQAX-MLGOLLRUSA-N -1 3 295.342 2.505 20 30 CFEDHM CCc1oc(C(=O)[O-])cc1CN1CCC(CC#N)CC1 ZINC000833678856 605138698 /nfs/dbraw/zinc/13/86/98/605138698.db2.gz QBAUJTSGISQAMO-UHFFFAOYSA-N -1 3 276.336 2.666 20 30 CFEDHM Cc1cc(C)cc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822197500 606203966 /nfs/dbraw/zinc/20/39/66/606203966.db2.gz CWNGDROGFKNCQB-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM Cc1cc(C)cc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822197500 606203967 /nfs/dbraw/zinc/20/39/67/606203967.db2.gz CWNGDROGFKNCQB-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000822929650 606387905 /nfs/dbraw/zinc/38/79/05/606387905.db2.gz WHHKJVGOXCUUOQ-HWKANZROSA-N -1 3 288.357 2.886 20 30 CFEDHM C=CCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819759380 606597966 /nfs/dbraw/zinc/59/79/66/606597966.db2.gz VSCYRLDZQUNOTD-UHFFFAOYSA-N -1 3 298.318 2.887 20 30 CFEDHM C=CCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819759380 606597968 /nfs/dbraw/zinc/59/79/68/606597968.db2.gz VSCYRLDZQUNOTD-UHFFFAOYSA-N -1 3 298.318 2.887 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(C#N)cc1 ZINC000822221655 607030435 /nfs/dbraw/zinc/03/04/35/607030435.db2.gz ZLJHVWDJKDDZRO-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccc(C#N)cc1 ZINC000822221655 607030437 /nfs/dbraw/zinc/03/04/37/607030437.db2.gz ZLJHVWDJKDDZRO-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(F)c(NN=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822240092 607111234 /nfs/dbraw/zinc/11/12/34/607111234.db2.gz RRMLRHKBPUXZBG-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1ccc(F)c(NN=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822240092 607111235 /nfs/dbraw/zinc/11/12/35/607111235.db2.gz RRMLRHKBPUXZBG-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000826402249 607883923 /nfs/dbraw/zinc/88/39/23/607883923.db2.gz POVWJYZUMKMNAB-FPLPWBNLSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000826402249 607883924 /nfs/dbraw/zinc/88/39/24/607883924.db2.gz POVWJYZUMKMNAB-FPLPWBNLSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000826402248 607883932 /nfs/dbraw/zinc/88/39/32/607883932.db2.gz POVWJYZUMKMNAB-BQYQJAHWSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000826402248 607883933 /nfs/dbraw/zinc/88/39/33/607883933.db2.gz POVWJYZUMKMNAB-BQYQJAHWSA-N -1 3 282.328 2.824 20 30 CFEDHM C#CCCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000823841544 608265293 /nfs/dbraw/zinc/26/52/93/608265293.db2.gz OQXDYDCDNWQZCH-UHFFFAOYSA-N -1 3 262.313 2.511 20 30 CFEDHM C#CCCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000823841544 608265292 /nfs/dbraw/zinc/26/52/92/608265292.db2.gz OQXDYDCDNWQZCH-UHFFFAOYSA-N -1 3 262.313 2.511 20 30 CFEDHM C#CCCCSCc1cccc(-c2nnn[n-]2)c1F ZINC000823841898 608405469 /nfs/dbraw/zinc/40/54/69/608405469.db2.gz UOGUYENLXLEVRP-UHFFFAOYSA-N -1 3 276.340 2.652 20 30 CFEDHM C#CCCCSCc1cccc(-c2nn[n-]n2)c1F ZINC000823841898 608405470 /nfs/dbraw/zinc/40/54/70/608405470.db2.gz UOGUYENLXLEVRP-UHFFFAOYSA-N -1 3 276.340 2.652 20 30 CFEDHM CCCCN([O-])C(=O)Cc1cccc(C(F)(F)F)n1 ZINC000900682119 620701663 /nfs/dbraw/zinc/70/16/63/620701663.db2.gz JPVCLCPXSUGIQR-UHFFFAOYSA-N -1 3 276.258 2.661 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cc(C(F)F)ncn1 ZINC000900679720 620701492 /nfs/dbraw/zinc/70/14/92/620701492.db2.gz VHGLSHHMSSQUJR-UHFFFAOYSA-N -1 3 273.283 2.826 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1cc(C)on1 ZINC000900680155 620701805 /nfs/dbraw/zinc/70/18/05/620701805.db2.gz ZMXXJHFEKMPREW-UHFFFAOYSA-N -1 3 254.330 2.714 20 30 CFEDHM C[C@H](Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737049 609382732 /nfs/dbraw/zinc/38/27/32/609382732.db2.gz BKXOHXGYMSCOFN-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@H](Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737049 609382735 /nfs/dbraw/zinc/38/27/35/609382735.db2.gz BKXOHXGYMSCOFN-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM N#CCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826381648 609589083 /nfs/dbraw/zinc/58/90/83/609589083.db2.gz SXURBAHZTGXDAD-UHFFFAOYSA-N -1 3 296.256 2.601 20 30 CFEDHM N#CCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826381648 609589086 /nfs/dbraw/zinc/58/90/86/609589086.db2.gz SXURBAHZTGXDAD-UHFFFAOYSA-N -1 3 296.256 2.601 20 30 CFEDHM CSCCON=C1CCc2c1ccc([O-])c2F ZINC000807986174 618045521 /nfs/dbraw/zinc/04/55/21/618045521.db2.gz FPFFNKCZFVMRQO-UHFFFAOYSA-N -1 3 255.314 2.561 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NNCCC(F)(F)F)c1 ZINC000901236822 620769515 /nfs/dbraw/zinc/76/95/15/620769515.db2.gz XWNWTMUIXASKIL-UHFFFAOYSA-N -1 3 266.650 2.922 20 30 CFEDHM CC1(C)OCC[C@@H]1NN=Cc1cc([O-])cc(Cl)c1 ZINC000901249257 620771772 /nfs/dbraw/zinc/77/17/72/620771772.db2.gz WBEPGTYQTQRHES-LBPRGKRZSA-N -1 3 268.744 2.537 20 30 CFEDHM C[C@H](NN=Cc1cc([O-])cc(Cl)c1)C(F)(F)F ZINC000901249900 620772239 /nfs/dbraw/zinc/77/22/39/620772239.db2.gz KUSWBDODNCKQMC-LURJTMIESA-N -1 3 266.650 2.920 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2cccc(OCCF)c2)c1O ZINC000255202532 618093483 /nfs/dbraw/zinc/09/34/83/618093483.db2.gz PRQZOBYBQVMNPX-UHFFFAOYSA-N -1 3 291.278 2.902 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000846551356 618113768 /nfs/dbraw/zinc/11/37/68/618113768.db2.gz SAOSHWPBXDIIGX-QWRGUYRKSA-N -1 3 251.301 2.942 20 30 CFEDHM CCCCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000141508803 618272509 /nfs/dbraw/zinc/27/25/09/618272509.db2.gz ALALTCYNZLPBLF-UHFFFAOYSA-N -1 3 287.363 2.623 20 30 CFEDHM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC1(F)F ZINC000901371617 620796743 /nfs/dbraw/zinc/79/67/43/620796743.db2.gz FUMIWMJAPVFGHN-NSHDSACASA-N -1 3 259.227 2.589 20 30 CFEDHM CCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(=O)[nH]1 ZINC000901371395 620796808 /nfs/dbraw/zinc/79/68/08/620796808.db2.gz AZAVUFQOLPZQPV-UHFFFAOYSA-N -1 3 290.294 2.520 20 30 CFEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CO1 ZINC000901371743 620796872 /nfs/dbraw/zinc/79/68/72/620796872.db2.gz XYTMKICFRXODLT-DOMZBBRYSA-N -1 3 285.343 2.983 20 30 CFEDHM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC1(F)F ZINC000901371615 620796949 /nfs/dbraw/zinc/79/69/49/620796949.db2.gz FUMIWMJAPVFGHN-LLVKDONJSA-N -1 3 259.227 2.589 20 30 CFEDHM O=C([C@@H]1CC[C@H]2C[C@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000901372272 620797194 /nfs/dbraw/zinc/79/71/94/620797194.db2.gz BKVDHRKMUZIYQJ-XQQFMLRXSA-N -1 3 263.312 2.980 20 30 CFEDHM Cc1ccoc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372373 620797353 /nfs/dbraw/zinc/79/73/53/620797353.db2.gz WYTRYJCYUHWWKD-UHFFFAOYSA-N -1 3 263.268 2.688 20 30 CFEDHM CSC[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372104 620797523 /nfs/dbraw/zinc/79/75/23/620797523.db2.gz QPVYAKZDKSEHQI-SECBINFHSA-N -1 3 257.330 2.543 20 30 CFEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)n1C ZINC000901375615 620798743 /nfs/dbraw/zinc/79/87/43/620798743.db2.gz HXRKOALCCATICD-UHFFFAOYSA-N -1 3 262.284 2.504 20 30 CFEDHM O=C1[C@@H](NCc2cc(Cl)sc2Cl)CCCN1[O-] ZINC000895157684 618404295 /nfs/dbraw/zinc/40/42/95/618404295.db2.gz DOVXNPFKPZLVKU-ZETCQYMHSA-N -1 3 295.191 2.525 20 30 CFEDHM C#C[C@@H](NCc1ncc(Br)cc1[O-])C(C)(C)C ZINC000894517110 619407542 /nfs/dbraw/zinc/40/75/42/619407542.db2.gz FCNZSTAHRUTVLB-GFCCVEGCSA-N -1 3 297.196 2.687 20 30 CFEDHM CC1(C)COC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000840711094 619923797 /nfs/dbraw/zinc/92/37/97/619923797.db2.gz WLTHVWWOJDSXMA-BYQGBLLGSA-N -1 3 298.180 2.999 20 30 CFEDHM C=CCC1(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CCCC1 ZINC000898222635 620357980 /nfs/dbraw/zinc/35/79/80/620357980.db2.gz VLSBDXLSWMVDTJ-GFCCVEGCSA-N -1 3 289.379 2.568 20 30 CFEDHM C=C[C@H]1CCCCN1Cc1cc(C(=O)[O-])cs1 ZINC000902544855 621123847 /nfs/dbraw/zinc/12/38/47/621123847.db2.gz KPZRHJIYRXOMJQ-NSHDSACASA-N -1 3 251.351 2.987 20 30 CFEDHM C[C@H](NCC1(C#N)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903033479 621230370 /nfs/dbraw/zinc/23/03/70/621230370.db2.gz VCLARRUOLSKKSV-JTQLQIEISA-N -1 3 275.308 2.645 20 30 CFEDHM C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000903408154 621362990 /nfs/dbraw/zinc/36/29/90/621362990.db2.gz FCYRPSCEBXAPKB-YGRLFVJLSA-N -1 3 292.766 2.754 20 30 CFEDHM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)cc(C#N)c1 ZINC000903409121 621364176 /nfs/dbraw/zinc/36/41/76/621364176.db2.gz WCOSBYYVMGHMLO-MFKMUULPSA-N -1 3 292.766 2.897 20 30 CFEDHM CC(C)Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000904173343 621541592 /nfs/dbraw/zinc/54/15/92/621541592.db2.gz KKFVWPWFFBHUEJ-UHFFFAOYSA-N -1 3 291.326 2.710 20 30 CFEDHM O=C([C@@H]1CCC(=O)C1)N([O-])Cc1cccc2ccccc21 ZINC000904173091 621541694 /nfs/dbraw/zinc/54/16/94/621541694.db2.gz NAFNXUAVTOOYRC-CYBMUJFWSA-N -1 3 283.327 2.927 20 30 CFEDHM CO[C@@H]1CCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904178119 621543461 /nfs/dbraw/zinc/54/34/61/621543461.db2.gz ZJXCHPSYPKFZGS-GXTWGEPZSA-N -1 3 281.327 2.749 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H](C)n1cccn1 ZINC000904206863 621544070 /nfs/dbraw/zinc/54/40/70/621544070.db2.gz LNOCOIIHHBMMFM-LBPRGKRZSA-N -1 3 253.346 2.632 20 30 CFEDHM CCCCCCN([O-])C(=O)C1(c2cc(C)no2)CC1 ZINC000904206918 621544218 /nfs/dbraw/zinc/54/42/18/621544218.db2.gz LYUOUITWQJVJFZ-UHFFFAOYSA-N -1 3 266.341 2.813 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000904208447 621544472 /nfs/dbraw/zinc/54/44/72/621544472.db2.gz ZSNQEINGSGFQHE-SNVBAGLBSA-N -1 3 255.289 2.611 20 30 CFEDHM CCCCN([O-])C(=O)c1csc(-c2ccccn2)n1 ZINC000904209042 621545092 /nfs/dbraw/zinc/54/50/92/621545092.db2.gz QXHHESOPFOYBMQ-UHFFFAOYSA-N -1 3 277.349 2.837 20 30 CFEDHM Cc1cnn(CCC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC000904188845 621545455 /nfs/dbraw/zinc/54/54/55/621545455.db2.gz QCWXMNGZXPWYPX-UHFFFAOYSA-N -1 3 293.754 2.653 20 30 CFEDHM CO[C@H](C)CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904189849 621545918 /nfs/dbraw/zinc/54/59/18/621545918.db2.gz BUGWEEIWMKLMRH-SNVBAGLBSA-N -1 3 271.744 2.873 20 30 CFEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)n1ccnc1 ZINC000904192972 621546937 /nfs/dbraw/zinc/54/69/37/621546937.db2.gz GYTMJWHQUCMXOD-LLVKDONJSA-N -1 3 293.754 2.906 20 30 CFEDHM O=C([C@H]1C[C@H]2CC(=O)[C@@H]1C2)N([O-])Cc1ccccc1Cl ZINC000904193493 621547194 /nfs/dbraw/zinc/54/71/94/621547194.db2.gz QLYFUZBDBHGDFI-WCQGTBRESA-N -1 3 293.750 2.673 20 30 CFEDHM CCOCCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197270 621548154 /nfs/dbraw/zinc/54/81/54/621548154.db2.gz XUBKAOBBUOXHCV-UHFFFAOYSA-N -1 3 265.353 2.654 20 30 CFEDHM Cc1ncoc1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197297 621548208 /nfs/dbraw/zinc/54/82/08/621548208.db2.gz YXWCRDCBXJYTML-UHFFFAOYSA-N -1 3 274.320 2.837 20 30 CFEDHM C[C@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC000904197861 621548599 /nfs/dbraw/zinc/54/85/99/621548599.db2.gz OZCDRETYJIRTIY-DZGCQCFKSA-N -1 3 277.364 2.652 20 30 CFEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)c1cncnc1 ZINC000904198184 621548658 /nfs/dbraw/zinc/54/86/58/621548658.db2.gz VYQRAWRKTXLWOA-AWEZNQCLSA-N -1 3 299.374 2.821 20 30 CFEDHM O=C([C@H]1C[C@]12CCOC2)N([O-])CCCCc1ccccc1 ZINC000904197873 621548712 /nfs/dbraw/zinc/54/87/12/621548712.db2.gz PDJXYTDIJPYJCW-WBVHZDCISA-N -1 3 289.375 2.654 20 30 CFEDHM C[C@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC000904197864 621548853 /nfs/dbraw/zinc/54/88/53/621548853.db2.gz OZCDRETYJIRTIY-ZFWWWQNUSA-N -1 3 277.364 2.652 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CSCCS1 ZINC000904204113 621549986 /nfs/dbraw/zinc/54/99/86/621549986.db2.gz FZIOGMAWUYRZEM-JTQLQIEISA-N -1 3 263.428 2.633 20 30 CFEDHM CCCCN([O-])C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000904215512 621551603 /nfs/dbraw/zinc/55/16/03/621551603.db2.gz AYTOILGNIVHUGS-ORHYLEIMSA-N -1 3 250.342 2.724 20 30 CFEDHM CCCCN([O-])C(=O)COCc1ccc(C)cc1 ZINC000904215579 621551733 /nfs/dbraw/zinc/55/17/33/621551733.db2.gz FKPOQUPHKXPSER-UHFFFAOYSA-N -1 3 251.326 2.530 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000904211941 621553713 /nfs/dbraw/zinc/55/37/13/621553713.db2.gz HCLOXLXPDPZTQV-VIFPVBQESA-N -1 3 284.287 2.855 20 30 CFEDHM CCCCN([O-])C(=O)c1ncccc1CSC ZINC000904212472 621553767 /nfs/dbraw/zinc/55/37/67/621553767.db2.gz DZWFFYMWBLIRGI-UHFFFAOYSA-N -1 3 254.355 2.576 20 30 CFEDHM CCCCN([O-])C(=O)CC1CCC(C(=O)OCC)CC1 ZINC000904214804 621555138 /nfs/dbraw/zinc/55/51/38/621555138.db2.gz NOYNLDOXBAWDFG-UHFFFAOYSA-N -1 3 285.384 2.764 20 30 CFEDHM COC(=O)CC1CC(/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000905001153 621679536 /nfs/dbraw/zinc/67/95/36/621679536.db2.gz FISNDTFCCWGFPG-PXNMLYILSA-N -1 3 281.739 2.806 20 30 CFEDHM N#Cc1cc([O-])ccc1-c1cnc([C@@H]2CCCCN2)nc1 ZINC000906177556 621945347 /nfs/dbraw/zinc/94/53/47/621945347.db2.gz FTJDMWIVABFCFB-HNNXBMFYSA-N -1 3 280.331 2.535 20 30 CFEDHM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(OC)c1 ZINC000906478920 621993948 /nfs/dbraw/zinc/99/39/48/621993948.db2.gz ILPFOQFYLTXPMQ-CYBMUJFWSA-N -1 3 282.290 2.595 20 30 CFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1occc1C ZINC000819772808 622554333 /nfs/dbraw/zinc/55/43/33/622554333.db2.gz LXHOBOABWMJMBY-UHFFFAOYSA-N -1 3 282.307 2.604 20 30 CFEDHM CC(CC1CCC1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820231051 622633043 /nfs/dbraw/zinc/63/30/43/622633043.db2.gz ACVQEOOGRHIJSF-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM CC(CC1CCC1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820231051 622633046 /nfs/dbraw/zinc/63/30/46/622633046.db2.gz ACVQEOOGRHIJSF-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C1CC1 ZINC000057307447 622997913 /nfs/dbraw/zinc/99/79/13/622997913.db2.gz SPPTZDKIIKHQFE-YFKPBYRVSA-N -1 3 262.235 2.848 20 30 CFEDHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C1CC1 ZINC000057307447 622997915 /nfs/dbraw/zinc/99/79/15/622997915.db2.gz SPPTZDKIIKHQFE-YFKPBYRVSA-N -1 3 262.235 2.848 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000824028322 623435784 /nfs/dbraw/zinc/43/57/84/623435784.db2.gz DZOSGHPKTGVKHJ-UWVGGRQHSA-N -1 3 281.274 2.500 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000824028323 623436136 /nfs/dbraw/zinc/43/61/36/623436136.db2.gz DZOSGHPKTGVKHJ-VHSXEESVSA-N -1 3 281.274 2.500 20 30 CFEDHM Cc1cc([O-])c(CN(C)C[C@H](C)C#N)cc1Cl ZINC000824597996 623529532 /nfs/dbraw/zinc/52/95/32/623529532.db2.gz ZFPCXBMIJMIPPD-SECBINFHSA-N -1 3 252.745 2.946 20 30 CFEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)CC(C)C ZINC000825416226 623689389 /nfs/dbraw/zinc/68/93/89/623689389.db2.gz AFDFZOJWKTVAIN-LLVKDONJSA-N -1 3 296.317 2.841 20 30 CFEDHM N#C[C@]1(F)CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825651096 623731237 /nfs/dbraw/zinc/73/12/37/623731237.db2.gz CYPGBNGOAOCUTA-GFCCVEGCSA-N -1 3 299.143 2.592 20 30 CFEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401402 623803542 /nfs/dbraw/zinc/80/35/42/623803542.db2.gz XRBXDCOCDAOICF-RMKNXTFCSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401402 623803549 /nfs/dbraw/zinc/80/35/49/623803549.db2.gz XRBXDCOCDAOICF-RMKNXTFCSA-N -1 3 294.289 2.902 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000826861598 623896269 /nfs/dbraw/zinc/89/62/69/623896269.db2.gz GYXZLLZORPQWDE-JTQLQIEISA-N -1 3 266.291 2.796 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-]c1cnc(CC)nc1 ZINC000194806988 625685307 /nfs/dbraw/zinc/68/53/07/625685307.db2.gz AEIXUXZMXUIEFS-UHFFFAOYSA-N -1 3 285.413 2.751 20 30 CFEDHM Cc1cc(Cl)cc(C=NOC[C@H]2CCOC2)c1[O-] ZINC000788030163 623946012 /nfs/dbraw/zinc/94/60/12/623946012.db2.gz KNSODEABDMDCIY-JTQLQIEISA-N -1 3 269.728 2.741 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000915112795 623984890 /nfs/dbraw/zinc/98/48/90/623984890.db2.gz GKEUSWWTBKXHBV-NUSHWZLESA-N -1 3 295.342 2.640 20 30 CFEDHM N#CCOc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174877928 624552172 /nfs/dbraw/zinc/55/21/72/624552172.db2.gz XGXOTCUWXQBYJY-UHFFFAOYSA-N -1 3 286.262 2.686 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(-n2cnnn2)cc1 ZINC000920942249 624785202 /nfs/dbraw/zinc/78/52/02/624785202.db2.gz UIXSUYQBQKATIW-UHFFFAOYSA-N -1 3 299.721 2.772 20 30 CFEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OC ZINC000920942802 624785411 /nfs/dbraw/zinc/78/54/11/624785411.db2.gz RACODRJIUGRDJS-UHFFFAOYSA-N -1 3 289.287 2.571 20 30 CFEDHM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C1CC1 ZINC000175337532 624947965 /nfs/dbraw/zinc/94/79/65/624947965.db2.gz MULZCKQWMMCQLB-AWEZNQCLSA-N -1 3 284.315 2.937 20 30 CFEDHM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C1CC1 ZINC000175337532 624947968 /nfs/dbraw/zinc/94/79/68/624947968.db2.gz MULZCKQWMMCQLB-AWEZNQCLSA-N -1 3 284.315 2.937 20 30 CFEDHM C=CCC1(C(=O)[N-]OCCSC)CCCCC1 ZINC000830990636 624948813 /nfs/dbraw/zinc/94/88/13/624948813.db2.gz KJVIHDOFPYGJBY-UHFFFAOYSA-N -1 3 257.399 2.924 20 30 CFEDHM COc1cc(C=NN[C@H](C)C(F)(F)F)cc(Cl)c1[O-] ZINC000834995402 625946391 /nfs/dbraw/zinc/94/63/91/625946391.db2.gz DNESQMIKLCALQB-ZCFIWIBFSA-N -1 3 296.676 2.929 20 30 CFEDHM CC[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000758374976 626590465 /nfs/dbraw/zinc/59/04/65/626590465.db2.gz MAYSQKCHPQJDOE-ZDUSSCGKSA-N -1 3 280.393 2.672 20 30 CFEDHM COc1cc(C=NOCC(F)F)cc(Cl)c1[O-] ZINC000758904936 626616727 /nfs/dbraw/zinc/61/67/27/626616727.db2.gz WFTMACILVAASSX-UHFFFAOYSA-N -1 3 265.643 2.670 20 30 CFEDHM C[C@@H]1COCC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000760989660 626790562 /nfs/dbraw/zinc/79/05/62/626790562.db2.gz DTSJUJNOYRSANP-PWAMHFQRSA-N -1 3 253.729 2.890 20 30 CFEDHM CCOc1cc(C=NNc2cnn(C)c2)cc(Cl)c1[O-] ZINC000761865656 626866102 /nfs/dbraw/zinc/86/61/02/626866102.db2.gz KNQSTBSREFPLQI-UHFFFAOYSA-N -1 3 294.742 2.624 20 30 CFEDHM Cc1cccc(C)c1C/N=C/c1c([O-])c(C)ncc1CO ZINC000764413912 627058630 /nfs/dbraw/zinc/05/86/30/627058630.db2.gz NQIYZCCNEIMUGW-GIJQJNRQSA-N -1 3 284.359 2.824 20 30 CFEDHM C#CCCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000766741187 627218460 /nfs/dbraw/zinc/21/84/60/627218460.db2.gz FBJZHVKJUUCIDC-UHFFFAOYSA-N -1 3 267.328 2.844 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000767686460 627275351 /nfs/dbraw/zinc/27/53/51/627275351.db2.gz CCSFQJUOAZPRFG-TUVHXFJTSA-N -1 3 284.306 2.585 20 30 CFEDHM Cc1cc(N=NC(C)c2sccc2[O-])nc(C)n1 ZINC000769781836 627473931 /nfs/dbraw/zinc/47/39/31/627473931.db2.gz QGNPYOHGGFXROV-UHFFFAOYSA-N -1 3 262.338 2.697 20 30 CFEDHM COC(=O)c1coc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1 ZINC000774139376 627892951 /nfs/dbraw/zinc/89/29/51/627892951.db2.gz PUFKTMPWVZVWOP-GQCTYLIASA-N -1 3 286.283 2.976 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCCc2c(Cl)cccc21 ZINC000774408194 627921976 /nfs/dbraw/zinc/92/19/76/627921976.db2.gz ASSKOZJMZDBGHM-UHFFFAOYSA-N -1 3 274.755 2.648 20 30 CFEDHM CC(CCc1cccc(C)c1)=NN=c1cc[n-]n1C ZINC000774414773 627922432 /nfs/dbraw/zinc/92/24/32/627922432.db2.gz JRUZRNKMGFPRFP-UHFFFAOYSA-N -1 3 256.353 2.571 20 30 CFEDHM CCOc1ccc(Cl)cc1C(C)=NN=c1cc[n-]n1C ZINC000774413245 627922580 /nfs/dbraw/zinc/92/25/80/627922580.db2.gz 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PMBZSPVAWUDARU-ZDUSSCGKSA-N -1 3 266.291 2.895 20 30 CFEDHM CCOc1cc(C=NN[C@H]2CCCOC2)cc(Cl)c1[O-] ZINC000780257056 628446709 /nfs/dbraw/zinc/44/67/09/628446709.db2.gz FROUWBXAKPEJIQ-NSHDSACASA-N -1 3 298.770 2.547 20 30 CFEDHM O=C1c2ccccc2CN1N=Cc1cc(F)ccc1[O-] ZINC000781596621 628564194 /nfs/dbraw/zinc/56/41/94/628564194.db2.gz HBRNKNXBGFXKQA-UHFFFAOYSA-N -1 3 270.263 2.521 20 30 CFEDHM Cc1ccc(CC(=O)[N-]OCc2ccc(CC#N)cc2)cc1 ZINC000784054368 628769788 /nfs/dbraw/zinc/76/97/88/628769788.db2.gz WRVYZUGYDNLCLC-UHFFFAOYSA-N -1 3 294.354 2.852 20 30 CFEDHM C#C[C@H]([N-]c1nc2c(cccc2F)o1)[C@@H]1CCCO1 ZINC000784408095 628815080 /nfs/dbraw/zinc/81/50/80/628815080.db2.gz UYXYEPYQFPXIMC-QWRGUYRKSA-N -1 3 260.268 2.560 20 30 CFEDHM CC(=O)c1cc(F)cc(CN2CCC[C@](C)(C#N)C2)c1[O-] ZINC000784455429 628818356 /nfs/dbraw/zinc/81/83/56/628818356.db2.gz UTNUKYRODCQTSL-MRXNPFEDSA-N -1 3 290.338 2.860 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C#N)CC(C)C ZINC000784532065 628824905 /nfs/dbraw/zinc/82/49/05/628824905.db2.gz WXINEODNTODGQT-NSHDSACASA-N -1 3 281.306 2.536 20 30 CFEDHM COc1cc(C=NNC2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000786043862 628933295 /nfs/dbraw/zinc/93/32/95/628933295.db2.gz ZYVAVHLJDHZUCU-UHFFFAOYSA-N -1 3 293.323 2.565 20 30 CFEDHM C=CCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787827656 629038381 /nfs/dbraw/zinc/03/83/81/629038381.db2.gz HEECHHPYPHHATI-UHFFFAOYSA-N -1 3 252.285 2.973 20 30 CFEDHM CC(=NN[C@@H](CO)c1ccccc1)c1ccc([O-])cc1F ZINC000788458587 629070457 /nfs/dbraw/zinc/07/04/57/629070457.db2.gz ZJAOVRJVCVKQRO-INIZCTEOSA-N -1 3 288.322 2.579 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC[C@@H]2CC(C)=C[C@@H](C)C2)n1 ZINC000789639816 629176874 /nfs/dbraw/zinc/17/68/74/629176874.db2.gz NJIJVCVJGHQRAS-SKDRFNHKSA-N -1 3 260.341 2.881 20 30 CFEDHM [O-]c1ccc(F)c(CN=Nc2nccnc2Cl)c1F ZINC000794512249 629652285 /nfs/dbraw/zinc/65/22/85/629652285.db2.gz RUUQIFAFUMLIDX-UHFFFAOYSA-N -1 3 284.653 2.560 20 30 CFEDHM CC(=NNCCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000794546850 629659321 /nfs/dbraw/zinc/65/93/21/629659321.db2.gz CSPCUTLIDOYUEQ-UHFFFAOYSA-N -1 3 264.222 2.797 20 30 CFEDHM C=CCCOC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000835838571 630102566 /nfs/dbraw/zinc/10/25/66/630102566.db2.gz ZVRJMBIPDCFBOM-SECBINFHSA-N -1 3 293.344 2.894 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000800720944 630402921 /nfs/dbraw/zinc/40/29/21/630402921.db2.gz IDCGTRFQJHPLQE-SXUYUPPPSA-N -1 3 298.333 2.832 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccsc2)c1[O-] ZINC000800790330 630404170 /nfs/dbraw/zinc/40/41/70/630404170.db2.gz JASJIRYQFAALRP-JPEBENEDSA-N -1 3 276.361 2.830 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)cc(C)n2)n1 ZINC000802033074 630498835 /nfs/dbraw/zinc/49/88/35/630498835.db2.gz XSBACRVKWVEMFH-LLVKDONJSA-N -1 3 271.345 2.953 20 30 CFEDHM C=CCO[N-]C(=O)CCCOc1ccc(C)cc1C ZINC000837045796 630944247 /nfs/dbraw/zinc/94/42/47/630944247.db2.gz ANCROVSIUITKPW-UHFFFAOYSA-N -1 3 263.337 2.696 20 30 CFEDHM C=CCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000837044765 630944386 /nfs/dbraw/zinc/94/43/86/630944386.db2.gz SLLSIGRAJDNOIF-UHFFFAOYSA-N -1 3 253.729 2.897 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnccn1 ZINC000809155508 631090562 /nfs/dbraw/zinc/09/05/62/631090562.db2.gz YTXUBOMJBPJMCK-VSBFRKNKSA-N -1 3 270.263 2.705 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837638911 631094092 /nfs/dbraw/zinc/09/40/92/631094092.db2.gz BJELZAPUKUTLFQ-JTQLQIEISA-N -1 3 276.336 2.705 20 30 CFEDHM Cc1c(Br)ccc([O-])c1NC(=O)C#CC1CC1 ZINC000837677530 631104929 /nfs/dbraw/zinc/10/49/29/631104929.db2.gz VKKIHCDVBNHRFG-UHFFFAOYSA-N -1 3 294.148 2.815 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840709926 631175733 /nfs/dbraw/zinc/17/57/33/631175733.db2.gz PEMVVGZJOVXPHB-BMWXAVAISA-N -1 3 296.164 2.917 20 30 CFEDHM CCn1nncc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000841485244 631414450 /nfs/dbraw/zinc/41/44/50/631414450.db2.gz IALUCIRDMIBMLA-QMEHYBMDSA-N -1 3 287.294 2.526 20 30 CFEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@@H]1C[C@H]1C ZINC000841627789 631435888 /nfs/dbraw/zinc/43/58/88/631435888.db2.gz CGCYRRNWXRVTAC-TZMCWYRMSA-N -1 3 294.420 2.571 20 30 CFEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@@H]1C[C@@H]1C ZINC000841627786 631436059 /nfs/dbraw/zinc/43/60/59/631436059.db2.gz CGCYRRNWXRVTAC-GXTWGEPZSA-N -1 3 294.420 2.571 20 30 CFEDHM C=C(C)CNN=Cc1cc(Br)ccc1[O-] ZINC000811650947 631593363 /nfs/dbraw/zinc/59/33/63/631593363.db2.gz XZVBZZPCNCRVBV-UHFFFAOYSA-N -1 3 269.142 2.654 20 30 CFEDHM CC[C@@H](C/N=C/c1cc(Cl)ccc1[O-])C(=O)OC ZINC000843262644 631913130 /nfs/dbraw/zinc/91/31/30/631913130.db2.gz DFQDRMPFBBJKFO-HVIDBACLSA-N -1 3 269.728 2.664 20 30 CFEDHM C#CC[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000843681577 632025148 /nfs/dbraw/zinc/02/51/48/632025148.db2.gz NKGLUSHANASEQX-ZDUSSCGKSA-N -1 3 257.333 2.576 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC3CCC2CC3)c1[O-] ZINC000814184084 632027927 /nfs/dbraw/zinc/02/79/27/632027927.db2.gz UJDGYOGKVIRCDH-RWQZLWCUSA-N -1 3 274.364 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SWBMWEFKONGHDT-USWWRNFRSA-N -1 3 263.341 2.645 20 30 CFEDHM CC#C[C@@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598927 775886554 /nfs/dbraw/zinc/88/65/54/775886554.db2.gz IJAXXTNUMNEGCK-LLVKDONJSA-N -1 3 258.273 2.679 20 30 CFEDHM CCC#C[C@H](C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597441 775886845 /nfs/dbraw/zinc/88/68/45/775886845.db2.gz UBYUBEPBNHANJF-JTQLQIEISA-N -1 3 258.273 2.679 20 30 CFEDHM COC(=O)[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227344943 776180498 /nfs/dbraw/zinc/18/04/98/776180498.db2.gz HKTQYPUQPGLGON-HNNXBMFYSA-N -1 3 283.283 2.557 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@@H](C#N)c2ccccc2)c1 ZINC001227346580 776181535 /nfs/dbraw/zinc/18/15/35/776181535.db2.gz WOGYJVKBENWZQG-HNNXBMFYSA-N -1 3 250.257 2.908 20 30 CFEDHM N#CC[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227616536 776245414 /nfs/dbraw/zinc/24/54/14/776245414.db2.gz RRDRMWYLWZNXSJ-SNVBAGLBSA-N -1 3 297.343 2.675 20 30 CFEDHM C=CC[C@H](Oc1[nH]c(=S)nc2nc[n-]c21)C(C)C ZINC001227616024 776245671 /nfs/dbraw/zinc/24/56/71/776245671.db2.gz JHXZMFPXXNUURY-QMMMGPOBSA-N -1 3 264.354 2.621 20 30 CFEDHM C=CCOCC(COCC=C)Oc1ncc(Cl)cc1[O-] ZINC001227979287 776346193 /nfs/dbraw/zinc/34/61/93/776346193.db2.gz BMDJZYLWWSUUBW-UHFFFAOYSA-N -1 3 299.754 2.593 20 30 CFEDHM CCC#C[C@@H](C)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228077860 776387723 /nfs/dbraw/zinc/38/77/23/776387723.db2.gz BNGNFLTVSGEWHT-SNVBAGLBSA-N -1 3 290.315 2.858 20 30 CFEDHM O=C1C=C[C@H](Oc2cc(-c3ccccc3)nc(=S)[n-]2)C1 ZINC001228346897 776467611 /nfs/dbraw/zinc/46/76/11/776467611.db2.gz NJCWKCWORVMGTF-LBPRGKRZSA-N -1 3 284.340 2.709 20 30 CFEDHM Cc1cc2[n-]c(O[C@@H]3CC[C@@H](C#N)C3)nc2cc1[N+](=O)[O-] ZINC001228672681 776561630 /nfs/dbraw/zinc/56/16/30/776561630.db2.gz YXXYGXYYIJHTBD-NXEZZACHSA-N -1 3 286.291 2.851 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228694950 776571042 /nfs/dbraw/zinc/57/10/42/776571042.db2.gz HCSBDSMRNZJHJX-ZDUSSCGKSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228694950 776571047 /nfs/dbraw/zinc/57/10/47/776571047.db2.gz HCSBDSMRNZJHJX-ZDUSSCGKSA-N -1 3 270.336 2.828 20 30 CFEDHM C=CC[C@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)C ZINC001228699158 776574071 /nfs/dbraw/zinc/57/40/71/776574071.db2.gz WGBHWPGKBWCUDB-LBPRGKRZSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)C ZINC001228699158 776574077 /nfs/dbraw/zinc/57/40/77/776574077.db2.gz WGBHWPGKBWCUDB-LBPRGKRZSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)C ZINC001228699158 776574084 /nfs/dbraw/zinc/57/40/84/776574084.db2.gz WGBHWPGKBWCUDB-LBPRGKRZSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228700604 776576356 /nfs/dbraw/zinc/57/63/56/776576356.db2.gz UKYIPCYRRQJXEW-GFCCVEGCSA-N -1 3 258.325 2.846 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853963 776635388 /nfs/dbraw/zinc/63/53/88/776635388.db2.gz MYOMCHDGXCDVAO-MEBBXXQBSA-N -1 3 256.301 2.702 20 30 CFEDHM C#CC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099471 776716528 /nfs/dbraw/zinc/71/65/28/776716528.db2.gz KMEOYZZDIZTSGW-ZETCQYMHSA-N -1 3 271.110 2.651 20 30 CFEDHM C#C[C@H](CC)Oc1cccc([O-])c1Br ZINC001229139899 776732627 /nfs/dbraw/zinc/73/26/27/776732627.db2.gz NUILWEAIJMGNPC-MRVPVSSYSA-N -1 3 255.111 2.945 20 30 CFEDHM C=CCC(CC=C)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229338664 776784214 /nfs/dbraw/zinc/78/42/14/776784214.db2.gz DTTNALUMMZOSES-UHFFFAOYSA-N -1 3 286.335 2.775 20 30 CFEDHM C=CCC(CC=C)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229338664 776784217 /nfs/dbraw/zinc/78/42/17/776784217.db2.gz DTTNALUMMZOSES-UHFFFAOYSA-N -1 3 286.335 2.775 20 30 CFEDHM C#C[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229352153 776788467 /nfs/dbraw/zinc/78/84/67/776788467.db2.gz GUDRGIBITRRSMB-SSDOTTSWSA-N -1 3 250.348 2.689 20 30 CFEDHM Cc1cc([O-])c(CNCc2nc(C#N)cs2)cc1Cl ZINC001207685294 776802629 /nfs/dbraw/zinc/80/26/29/776802629.db2.gz OPAFRWGRMRNKCM-UHFFFAOYSA-N -1 3 293.779 2.972 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1ccccc1-c1nnn[n-]1 ZINC001229951089 776923285 /nfs/dbraw/zinc/92/32/85/776923285.db2.gz PPJJXUZRHHIBRJ-GFCCVEGCSA-N -1 3 282.347 2.850 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1ccccc1-c1nn[n-]n1 ZINC001229951089 776923286 /nfs/dbraw/zinc/92/32/86/776923286.db2.gz PPJJXUZRHHIBRJ-GFCCVEGCSA-N -1 3 282.347 2.850 20 30 CFEDHM C=CC[C@H](Oc1nc(=O)[n-]c2c1SCC2)C(C)C ZINC001230791546 777065009 /nfs/dbraw/zinc/06/50/09/777065009.db2.gz CVEPUWCVYBWBJY-JTQLQIEISA-N -1 3 266.366 2.810 20 30 CFEDHM C=CC[C@H](CCC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230791555 777065576 /nfs/dbraw/zinc/06/55/76/777065576.db2.gz DAXREFDEWXSOHQ-SECBINFHSA-N -1 3 266.366 2.954 20 30 CFEDHM N#C[C@H]1CCCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC001231464010 777228252 /nfs/dbraw/zinc/22/82/52/777228252.db2.gz BQMZQKVLUXVNRR-JTQLQIEISA-N -1 3 264.350 2.572 20 30 CFEDHM N#C[C@@H]1C[C@H](F)CN1Cc1c([O-])ccc2ccccc21 ZINC001231589938 777269337 /nfs/dbraw/zinc/26/93/37/777269337.db2.gz VVKHWXBTYCQJKV-STQMWFEESA-N -1 3 270.307 2.981 20 30 CFEDHM N#C[C@@H]1C[C@H](F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231884109 777366787 /nfs/dbraw/zinc/36/67/87/777366787.db2.gz XQNFNJPZDMLPLC-KBPBESRZSA-N -1 3 270.307 2.981 20 30 CFEDHM N#Cc1ccc([O-])c(CN2CCN(c3ccccc3)CC2)c1 ZINC001232674309 777639069 /nfs/dbraw/zinc/63/90/69/777639069.db2.gz VVRNMNCDHJMMGC-UHFFFAOYSA-N -1 3 293.370 2.586 20 30 CFEDHM N#CC[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334556 777892093 /nfs/dbraw/zinc/89/20/93/777892093.db2.gz LLTGOWCPBLXLAS-SNVBAGLBSA-N -1 3 266.291 2.796 20 30 CFEDHM N#Cc1ccc(CN2CCO[C@H](c3ccccc3)C2)c([O-])c1 ZINC001233386199 777926134 /nfs/dbraw/zinc/92/61/34/777926134.db2.gz JTCZYERZYFGFPK-SFHVURJKSA-N -1 3 294.354 2.837 20 30 CFEDHM Cc1nc2c(s1)CN(Cc1ccc(C#N)cc1[O-])CC2 ZINC001233386220 777927738 /nfs/dbraw/zinc/92/77/38/777927738.db2.gz KKYVBSSFVGLOBS-UHFFFAOYSA-N -1 3 285.372 2.587 20 30 CFEDHM C#C[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500119 777970233 /nfs/dbraw/zinc/97/02/33/777970233.db2.gz QEEKAURZMQSRFT-ZCFIWIBFSA-N -1 3 265.656 2.525 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)C1CCOCC1 ZINC001233798893 778079988 /nfs/dbraw/zinc/07/99/88/778079988.db2.gz CPZMZTMGXGOZHR-HPUUJOOBSA-N -1 3 279.336 2.697 20 30 CFEDHM COC(=O)[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234140900 778173393 /nfs/dbraw/zinc/17/33/93/778173393.db2.gz LOJSVVRZFLZKMB-HNNXBMFYSA-N -1 3 283.283 2.557 20 30 CFEDHM Cc1cn2c(n1)[C@H](Oc1cc([O-])cc(C#N)c1)CCC2 ZINC001234144418 778174493 /nfs/dbraw/zinc/17/44/93/778174493.db2.gz NUCNIBNNZXFHKT-CQSZACIVSA-N -1 3 269.304 2.683 20 30 CFEDHM CCC[C@H](CC(=O)OCC)Oc1cc([O-])cc(C#N)c1 ZINC001234143210 778174980 /nfs/dbraw/zinc/17/49/80/778174980.db2.gz BFJOHGQVFHZHLW-CYBMUJFWSA-N -1 3 277.320 2.765 20 30 CFEDHM C=C(C)C[C@H](Oc1cccc([O-])c1C(N)=O)C(=C)C ZINC001234148758 778176137 /nfs/dbraw/zinc/17/61/37/778176137.db2.gz BZJCHOPEVPXBLP-ZDUSSCGKSA-N -1 3 261.321 2.781 20 30 CFEDHM N#Cc1cc([O-])cc(OC[C@@H]2CC[C@]3(CCCCO3)O2)c1 ZINC001234144705 778176368 /nfs/dbraw/zinc/17/63/68/778176368.db2.gz TTXLCBFUIQXBRI-HOCLYGCPSA-N -1 3 289.331 2.718 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(OC(C3CC3)C3CC3)c12 ZINC001234510430 778239419 /nfs/dbraw/zinc/23/94/19/778239419.db2.gz AOHZWCYPGOWQSX-UHFFFAOYSA-N -1 3 281.315 2.774 20 30 CFEDHM CC1(C)C[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CCO1 ZINC001234514194 778240748 /nfs/dbraw/zinc/24/07/48/778240748.db2.gz SYXOEJUFHMVAAB-LLVKDONJSA-N -1 3 299.330 2.543 20 30 CFEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1nccs1 ZINC001234513660 778241351 /nfs/dbraw/zinc/24/13/51/778241351.db2.gz MXOCXYOUWYESSC-QMMMGPOBSA-N -1 3 298.327 2.804 20 30 CFEDHM Cc1nc(C#N)c(Nc2ccc([O-])c(F)c2F)o1 ZINC001212002582 778322772 /nfs/dbraw/zinc/32/27/72/778322772.db2.gz AKBHOFCBGMKREC-UHFFFAOYSA-N -1 3 251.192 2.582 20 30 CFEDHM COc1cc(C#N)cnc1-c1cc([O-])cc(Cl)c1 ZINC001235899522 778598391 /nfs/dbraw/zinc/59/83/91/778598391.db2.gz HQCLHCWNDPQCHY-UHFFFAOYSA-N -1 3 260.680 2.988 20 30 CFEDHM N#CCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436812629 778655047 /nfs/dbraw/zinc/65/50/47/778655047.db2.gz BIIHSKBBMVGYNR-UHFFFAOYSA-N -1 3 282.299 2.828 20 30 CFEDHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C#N)cc1F ZINC001236532044 778866754 /nfs/dbraw/zinc/86/67/54/778866754.db2.gz VPPOWHVNYCEWHZ-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C#N)cc1F ZINC001236532044 778866759 /nfs/dbraw/zinc/86/67/59/778866759.db2.gz VPPOWHVNYCEWHZ-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM N#Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c(F)c1 ZINC001236532765 778867488 /nfs/dbraw/zinc/86/74/88/778867488.db2.gz FSNYPGSUJMFUHN-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c(F)c1 ZINC001236532765 778867495 /nfs/dbraw/zinc/86/74/95/778867495.db2.gz FSNYPGSUJMFUHN-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2ccncc2)nc1-c1cncc([O-])c1 ZINC001236577544 778882231 /nfs/dbraw/zinc/88/22/31/778882231.db2.gz IWWOCDNYIUSQFM-UHFFFAOYSA-N -1 3 274.283 2.783 20 30 CFEDHM N#C[C@@H]1C[C@H](F)CN1Cc1ccc(Br)c([O-])c1 ZINC001236696616 778914542 /nfs/dbraw/zinc/91/45/42/778914542.db2.gz VLIIVZYPJZQEHU-UWVGGRQHSA-N -1 3 299.143 2.591 20 30 CFEDHM C=CCN(C)Cc1c([O-])cc(OC)cc1Br ZINC001237073867 779004990 /nfs/dbraw/zinc/00/49/90/779004990.db2.gz WHXHWRNDKSNLOE-UHFFFAOYSA-N -1 3 286.169 2.781 20 30 CFEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccnc1F ZINC001234144370 779141545 /nfs/dbraw/zinc/14/15/45/779141545.db2.gz MQMXYPCUDGBKOH-VIFPVBQESA-N -1 3 258.252 2.938 20 30 CFEDHM [O-]/N=C/c1ccc(-c2cccc(CCO)c2)cc1F ZINC001239034816 779446581 /nfs/dbraw/zinc/44/65/81/779446581.db2.gz JKGSBIYEJXZZAD-LICLKQGHSA-N -1 3 259.280 2.836 20 30 CFEDHM CC(=O)NCc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240152889 779975207 /nfs/dbraw/zinc/97/52/07/779975207.db2.gz IZGOCEMAYQTLLQ-VXLYETTFSA-N -1 3 286.306 2.937 20 30 CFEDHM COc1cc(-c2ccc3c(c2)CC/C3=N/[O-])ccn1 ZINC001240259541 780387520 /nfs/dbraw/zinc/38/75/20/780387520.db2.gz IPZCERPFUFLVQM-VKAVYKQESA-N -1 3 254.289 2.882 20 30 CFEDHM Cc1c(C)n(-c2cc(F)cc(F)c2[O-])c(N)c1C#N ZINC001212477670 780392026 /nfs/dbraw/zinc/39/20/26/780392026.db2.gz LGGACRFZXQVBBT-UHFFFAOYSA-N -1 3 263.247 2.532 20 30 CFEDHM Cc1cnc(C#N)c(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212479927 780394309 /nfs/dbraw/zinc/39/43/09/780394309.db2.gz ZJNSWFAMRKWNHU-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1CC#N ZINC001241444261 780895684 /nfs/dbraw/zinc/89/56/84/780895684.db2.gz PEHMMWLBNMNGEY-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1CC#N ZINC001241444261 780895693 /nfs/dbraw/zinc/89/56/93/780895693.db2.gz PEHMMWLBNMNGEY-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM [O-]/N=C/c1cccc(-c2ccc3c(c2)NCCO3)c1 ZINC001241483716 780933413 /nfs/dbraw/zinc/93/34/13/780933413.db2.gz FWCWYFVUJRMSIZ-LICLKQGHSA-N -1 3 254.289 2.966 20 30 CFEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)c(OC)n1 ZINC001241576783 780993410 /nfs/dbraw/zinc/99/34/10/780993410.db2.gz JRTROMKYZFYRBC-OQLLNIDSSA-N -1 3 258.277 2.574 20 30 CFEDHM COc1ccncc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001242060838 781254567 /nfs/dbraw/zinc/25/45/67/781254567.db2.gz YJBFJWXMIYCTCJ-VKAVYKQESA-N -1 3 254.289 2.882 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242474615 781529388 /nfs/dbraw/zinc/52/93/88/781529388.db2.gz PBRQKNWLLSVXFS-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242474615 781529394 /nfs/dbraw/zinc/52/93/94/781529394.db2.gz PBRQKNWLLSVXFS-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CN(C)c1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001242528988 781569863 /nfs/dbraw/zinc/56/98/63/781569863.db2.gz UTPVVFYZLDTVSE-VLGSPTGOSA-N -1 3 267.332 2.939 20 30 CFEDHM C[C@@H]1Oc2ccc(-c3ccc([O-])c(C#N)c3)cc2NC1=O ZINC001242564635 781603316 /nfs/dbraw/zinc/60/33/16/781603316.db2.gz KPEXZVNKJVWFRN-VIFPVBQESA-N -1 3 280.283 2.650 20 30 CFEDHM CC(=O)Nc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564656 781603595 /nfs/dbraw/zinc/60/35/95/781603595.db2.gz LSUJJQVRKJAWRF-UHFFFAOYSA-N -1 3 252.273 2.889 20 30 CFEDHM CCOC(=O)COc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565303 781605111 /nfs/dbraw/zinc/60/51/11/781605111.db2.gz WCCSPNNYTJNPTA-UHFFFAOYSA-N -1 3 297.310 2.873 20 30 CFEDHM Cc1nc2c[nH]cc(-c3ccc([O-])c(C#N)c3)c-2n1 ZINC001242567209 781606364 /nfs/dbraw/zinc/60/63/64/781606364.db2.gz RXEINYVHBNPSFK-UHFFFAOYSA-N -1 3 250.261 2.511 20 30 CFEDHM Cc1nc2cncc(-c3ccc([O-])c(C#N)c3)c2[nH]1 ZINC001242567209 781606369 /nfs/dbraw/zinc/60/63/69/781606369.db2.gz RXEINYVHBNPSFK-UHFFFAOYSA-N -1 3 250.261 2.511 20 30 CFEDHM Cc1ccc(C2=CC(=O)C[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001242741884 781734815 /nfs/dbraw/zinc/73/48/15/781734815.db2.gz CQCINDYIKIDYBO-SECBINFHSA-N -1 3 268.320 2.558 20 30 CFEDHM Cc1ccc(C2=CC(=O)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001242741884 781734816 /nfs/dbraw/zinc/73/48/16/781734816.db2.gz CQCINDYIKIDYBO-SECBINFHSA-N -1 3 268.320 2.558 20 30 CFEDHM C#C[C@H](CCC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231090764 781907046 /nfs/dbraw/zinc/90/70/46/781907046.db2.gz LNKKRAZLZBYVQL-SECBINFHSA-N -1 3 297.738 2.798 20 30 CFEDHM C=CCCCCCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596135030 349803511 /nfs/dbraw/zinc/80/35/11/349803511.db2.gz RMCNSYONLPYJIE-UHFFFAOYSA-N -1 3 265.313 2.878 20 30 CFEDHM N#Cc1[n-]c(=NCC2(CCO)CCCCC2)sc1Cl ZINC000596155976 349811751 /nfs/dbraw/zinc/81/17/51/349811751.db2.gz XNEUKHYTHINBIO-UHFFFAOYSA-N -1 3 299.827 2.835 20 30 CFEDHM CC1(C)C[C@H](CN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596263585 349847306 /nfs/dbraw/zinc/84/73/06/349847306.db2.gz ICAQQXNCGPKPNJ-MRVPVSSYSA-N -1 3 285.800 2.707 20 30 CFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000178505198 232381792 /nfs/dbraw/zinc/38/17/92/232381792.db2.gz MYQVAMIYVDOHLK-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574275 346353521 /nfs/dbraw/zinc/35/35/21/346353521.db2.gz ZTFAMBYLADBARW-AWEZNQCLSA-N -1 3 265.316 2.892 20 30 CFEDHM C=CCCCN(C)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000076690848 347148303 /nfs/dbraw/zinc/14/83/03/347148303.db2.gz WONBVIUUFXOCGT-UHFFFAOYSA-N -1 3 298.390 2.797 20 30 CFEDHM CCn1nc(C)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000102115890 347716677 /nfs/dbraw/zinc/71/66/77/347716677.db2.gz ABGOOPFYVNUWKZ-LLVKDONJSA-N -1 3 293.330 2.578 20 30 CFEDHM COc1ccc(CCC(C)(C)CC(=O)N[O-])c(OC)c1 ZINC000671996754 539577203 /nfs/dbraw/zinc/57/72/03/539577203.db2.gz WZTONDZPXQLFNN-UHFFFAOYSA-N -1 3 281.352 2.558 20 30 CFEDHM CC(C)N(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000232647981 348212705 /nfs/dbraw/zinc/21/27/05/348212705.db2.gz KQLYYUYDKNYLOS-UHFFFAOYSA-N -1 3 266.728 2.810 20 30 CFEDHM N#CC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000279415658 348339946 /nfs/dbraw/zinc/33/99/46/348339946.db2.gz CIWRSLQOFQSYKM-UHFFFAOYSA-N -1 3 280.327 2.921 20 30 CFEDHM N#CCCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000588377114 348787977 /nfs/dbraw/zinc/78/79/77/348787977.db2.gz AFGOFEYKDVAHEO-UHFFFAOYSA-N -1 3 264.300 2.622 20 30 CFEDHM C[C@]1(C#N)CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000589487003 348835106 /nfs/dbraw/zinc/83/51/06/348835106.db2.gz AFSNCBLJOBAUGB-CQSZACIVSA-N -1 3 278.739 2.811 20 30 CFEDHM CCc1cc(C(=O)N[C@H](C#N)CC(C)C)ccc1[O-] ZINC000589835771 348859193 /nfs/dbraw/zinc/85/91/93/348859193.db2.gz CQIPSLUWYZYCCD-ZDUSSCGKSA-N -1 3 260.337 2.623 20 30 CFEDHM N#CC1(CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000590317773 348893334 /nfs/dbraw/zinc/89/33/34/348893334.db2.gz GAIRERQNTYKKJG-UHFFFAOYSA-N -1 3 295.136 2.787 20 30 CFEDHM CC(C)C[C@H](C#N)NC(=O)c1cc([O-])ccc1Cl ZINC000590206037 348885443 /nfs/dbraw/zinc/88/54/43/348885443.db2.gz CPYSNRFCRHOEGK-SECBINFHSA-N -1 3 266.728 2.714 20 30 CFEDHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000590739733 348940154 /nfs/dbraw/zinc/94/01/54/348940154.db2.gz IPVZGVQVZLOWCS-AWEZNQCLSA-N -1 3 294.420 2.661 20 30 CFEDHM N#CCc1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000590417000 348899782 /nfs/dbraw/zinc/89/97/82/348899782.db2.gz VBPKDIZCXYFCOL-UHFFFAOYSA-N -1 3 292.298 2.587 20 30 CFEDHM Cc1nsc([N-]C(=O)c2nc(C)c(C)s2)c1C#N ZINC000590991901 348976960 /nfs/dbraw/zinc/97/69/60/348976960.db2.gz DDMHXMOZPANDLR-UHFFFAOYSA-N -1 3 278.362 2.649 20 30 CFEDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535173 349291032 /nfs/dbraw/zinc/29/10/32/349291032.db2.gz JNNLKNSOWACINU-QWRGUYRKSA-N -1 3 298.433 2.724 20 30 CFEDHM C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593606511 349297411 /nfs/dbraw/zinc/29/74/11/349297411.db2.gz TZDMMJDEAIQAEG-MFKMUULPSA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593603016 349297555 /nfs/dbraw/zinc/29/75/55/349297555.db2.gz SRPBLDQZVYELMU-QWRGUYRKSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)[C@H](C)CC#N)c1[O-] ZINC000597441892 350097966 /nfs/dbraw/zinc/09/79/66/350097966.db2.gz QHPAJODQMYNDPI-SSDOTTSWSA-N -1 3 252.701 2.842 20 30 CFEDHM N#CCCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000597732726 350129587 /nfs/dbraw/zinc/12/95/87/350129587.db2.gz WOJKYQMEAJYUPA-UHFFFAOYSA-N -1 3 283.331 2.641 20 30 CFEDHM CC1CC(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000598621541 350295483 /nfs/dbraw/zinc/29/54/83/350295483.db2.gz AFQVJEYWBMRONH-UHFFFAOYSA-N -1 3 298.795 2.536 20 30 CFEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cc(C(C)C)on2)n1 ZINC000598859870 350342733 /nfs/dbraw/zinc/34/27/33/350342733.db2.gz YYTTWNVTYPMYCW-UHFFFAOYSA-N -1 3 284.319 2.934 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000599527225 350450554 /nfs/dbraw/zinc/45/05/54/350450554.db2.gz IEPAJDFHXZZDRS-BZNIZROVSA-N -1 3 272.348 2.903 20 30 CFEDHM CCN(C(=O)c1cc([O-])cc(Br)c1)[C@H](C)C#N ZINC000600108563 350510386 /nfs/dbraw/zinc/51/03/86/350510386.db2.gz CPTJXFOMHKXWSE-MRVPVSSYSA-N -1 3 297.152 2.529 20 30 CFEDHM N#Cc1cccc(C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108083057 186202701 /nfs/dbraw/zinc/20/27/01/186202701.db2.gz OCBGDRQAQAHOAC-SFHVURJKSA-N -1 3 257.314 2.572 20 30 CFEDHM CCCn1c(SCc2ccc(C)c(C#N)c2)n[n-]c1=O ZINC000600510393 350561141 /nfs/dbraw/zinc/56/11/41/350561141.db2.gz LPRBRJSNUJMJHZ-UHFFFAOYSA-N -1 3 288.376 2.866 20 30 CFEDHM COCc1nc(S[C@H](C#N)CCc2ccccc2)n[n-]1 ZINC000601079854 350661675 /nfs/dbraw/zinc/66/16/75/350661675.db2.gz DRGCZLVYBPNVON-LBPRGKRZSA-N -1 3 288.376 2.568 20 30 CFEDHM CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c([O-])c1 ZINC000601820077 350785201 /nfs/dbraw/zinc/78/52/01/350785201.db2.gz MUYCSUDKYCCTOZ-GXTWGEPZSA-N -1 3 272.348 2.719 20 30 CFEDHM CC(C)c1c(-c2ccccc2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601933715 350806917 /nfs/dbraw/zinc/80/69/17/350806917.db2.gz SELMQITYKFNKRQ-JSGCOSHPSA-N -1 3 269.348 2.665 20 30 CFEDHM CCc1c(-c2ccccc2)[n-]n([C@H](C)CC#N)c1=O ZINC000601935448 350807423 /nfs/dbraw/zinc/80/74/23/350807423.db2.gz JYEDUTKPRHEMKB-DGCLKSJQSA-N -1 3 255.321 2.561 20 30 CFEDHM CC(C)(C)c1csc([N-]C(=O)c2cccnn2)c1C#N ZINC000602345204 350867519 /nfs/dbraw/zinc/86/75/19/350867519.db2.gz CZABKUYKFVKQFG-UHFFFAOYSA-N -1 3 286.360 2.960 20 30 CFEDHM N#CC1(CC(=O)Nc2cccc3n[n-]nc32)CCCCC1 ZINC000603061660 351096661 /nfs/dbraw/zinc/09/66/61/351096661.db2.gz SJQAQAZBHHAARF-UHFFFAOYSA-N -1 3 283.335 2.761 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC2CCCC2)c(F)c1 ZINC000610081837 351533347 /nfs/dbraw/zinc/53/33/47/351533347.db2.gz KXSXHMBIWRZDPR-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)c([O-])c1C ZINC000611279994 351663487 /nfs/dbraw/zinc/66/34/87/351663487.db2.gz USMCXPKWNZZVFI-GFCCVEGCSA-N -1 3 260.337 2.677 20 30 CFEDHM CCc1cccc(C(=O)N[C@H](C#N)CC(C)C)c1[O-] ZINC000611279971 351663509 /nfs/dbraw/zinc/66/35/09/351663509.db2.gz NFAHYAPLXCWJDA-LBPRGKRZSA-N -1 3 260.337 2.623 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@H](C#N)CC(C)C)c1 ZINC000611280001 351663705 /nfs/dbraw/zinc/66/37/05/351663705.db2.gz VHNGGWQTZAZZNM-LBPRGKRZSA-N -1 3 260.337 2.623 20 30 CFEDHM Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)c([O-])c1C ZINC000612367392 351808734 /nfs/dbraw/zinc/80/87/34/351808734.db2.gz OSXYWCRTRHDXLN-INIZCTEOSA-N -1 3 272.348 2.775 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000291920909 198105834 /nfs/dbraw/zinc/10/58/34/198105834.db2.gz UVDSGDBWBWVLIA-UHFFFAOYSA-N -1 3 284.768 2.920 20 30 CFEDHM N#C[C@@]1(F)CCN(Cc2cc([O-])ccc2Br)C1 ZINC000615650797 352224385 /nfs/dbraw/zinc/22/43/85/352224385.db2.gz ANTPXPRFRRHPIK-LBPRGKRZSA-N -1 3 299.143 2.592 20 30 CFEDHM Cn1ncc(C(=O)Nc2cccc(C(C)(C)C)c2[O-])c1C#N ZINC000356818542 282819682 /nfs/dbraw/zinc/81/96/82/282819682.db2.gz HIGYZHOZQGEAAT-UHFFFAOYSA-N -1 3 298.346 2.547 20 30 CFEDHM C=CCN(C(=O)c1ccc([O-])c(CC)c1)[C@H](C)COC ZINC000617583183 352597554 /nfs/dbraw/zinc/59/75/54/352597554.db2.gz CRFPICYUEQRPSR-GFCCVEGCSA-N -1 3 277.364 2.618 20 30 CFEDHM C=CCN(C(=O)c1ccc(CC)cc1[O-])[C@H](C)COC ZINC000617582785 352597758 /nfs/dbraw/zinc/59/77/58/352597758.db2.gz VHEWLDMDBJBFEL-GFCCVEGCSA-N -1 3 277.364 2.618 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000617779082 352642574 /nfs/dbraw/zinc/64/25/74/352642574.db2.gz VBPBZMIUMRGMDI-NSHDSACASA-N -1 3 285.347 2.697 20 30 CFEDHM CC(=O)c1ccc(C(=O)N(CC#N)C2CCCC2)cc1[O-] ZINC000668975749 539920021 /nfs/dbraw/zinc/92/00/21/539920021.db2.gz RCSOQCYMPJSIFE-UHFFFAOYSA-N -1 3 286.331 2.503 20 30 CFEDHM C=CCOCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000618524431 352800356 /nfs/dbraw/zinc/80/03/56/352800356.db2.gz DEQZNIMUXJDPQP-UHFFFAOYSA-N -1 3 295.354 2.563 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c(OC)c1 ZINC000620305509 353149049 /nfs/dbraw/zinc/14/90/49/353149049.db2.gz JRYMZUSOHOJRJR-BETUJISGSA-N -1 3 273.332 2.724 20 30 CFEDHM C#CC[C@@H](NCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000271662503 191266888 /nfs/dbraw/zinc/26/68/88/191266888.db2.gz DRUVHJNFOGWLJL-OAHLLOKOSA-N -1 3 281.359 2.599 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000620857553 353241736 /nfs/dbraw/zinc/24/17/36/353241736.db2.gz AFDOOVGSLVBSGB-UHFFFAOYSA-N -1 3 293.363 2.884 20 30 CFEDHM N#Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000155560314 188213544 /nfs/dbraw/zinc/21/35/44/188213544.db2.gz XMQTXJZFPBAEGX-GFCCVEGCSA-N -1 3 295.726 2.791 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000155560314 188213546 /nfs/dbraw/zinc/21/35/46/188213546.db2.gz XMQTXJZFPBAEGX-GFCCVEGCSA-N -1 3 295.726 2.791 20 30 CFEDHM C=CC[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629366853 354789459 /nfs/dbraw/zinc/78/94/59/354789459.db2.gz ZNHANIDVWHRRMK-NSHDSACASA-N -1 3 263.312 2.922 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(F)c(F)c1N(C)C ZINC000630459348 355088741 /nfs/dbraw/zinc/08/87/41/355088741.db2.gz QVLOETKGADREOJ-LLVKDONJSA-N -1 3 298.333 2.540 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1csc([C@@H](C)OC)n1 ZINC000294815946 199195604 /nfs/dbraw/zinc/19/56/04/199195604.db2.gz CJFXOUFBGROYQR-MRVPVSSYSA-N -1 3 290.335 2.678 20 30 CFEDHM N#Cc1ccc([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)c1 ZINC000302191045 201389186 /nfs/dbraw/zinc/38/91/86/201389186.db2.gz BJIXHFXHZRWPQA-UHFFFAOYSA-N -1 3 287.250 2.923 20 30 CFEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426770983 239263601 /nfs/dbraw/zinc/26/36/01/239263601.db2.gz XXWFJTZMSXBIAQ-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM CC(C)Cc1nnc([N-]C(=O)c2cscc2C#N)s1 ZINC000432680339 240030121 /nfs/dbraw/zinc/03/01/21/240030121.db2.gz UMAJLCGYVKBMKY-UHFFFAOYSA-N -1 3 292.389 2.922 20 30 CFEDHM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1ccccn1 ZINC000676771817 541792061 /nfs/dbraw/zinc/79/20/61/541792061.db2.gz QXATXWDXWNCRFN-CYBMUJFWSA-N -1 3 277.327 2.845 20 30 CFEDHM CCc1ccc(S(=O)(=O)[N-]C2(C#N)CCCCC2)s1 ZINC000049044635 373255882 /nfs/dbraw/zinc/25/58/82/373255882.db2.gz ORDSKBDDGQOVFY-UHFFFAOYSA-N -1 3 298.433 2.815 20 30 CFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1F ZINC000102879695 375698349 /nfs/dbraw/zinc/69/83/49/375698349.db2.gz KJOGCPYBEPEMOR-UHFFFAOYSA-N -1 3 296.261 2.933 20 30 CFEDHM N#Cc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1F ZINC000102879695 375698382 /nfs/dbraw/zinc/69/83/82/375698382.db2.gz KJOGCPYBEPEMOR-UHFFFAOYSA-N -1 3 296.261 2.933 20 30 CFEDHM C=CCCCCCN(C)Cc1nc(CC)cc(=O)[n-]1 ZINC000121403047 376822819 /nfs/dbraw/zinc/82/28/19/376822819.db2.gz AUYCVABQIRWNSP-UHFFFAOYSA-N -1 3 263.385 2.923 20 30 CFEDHM N#Cc1cccc(NC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000121442630 376832655 /nfs/dbraw/zinc/83/26/55/376832655.db2.gz ZRQIISLKIRXRNQ-UHFFFAOYSA-N -1 3 285.278 2.725 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)OCCC)cc1 ZINC000123044444 376944300 /nfs/dbraw/zinc/94/43/00/376944300.db2.gz NHSRUNILSWMFAE-UHFFFAOYSA-N -1 3 297.376 2.571 20 30 CFEDHM CC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1 ZINC000126743205 377245567 /nfs/dbraw/zinc/24/55/67/377245567.db2.gz DUWMNBPWMRMXJK-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000132041606 377796706 /nfs/dbraw/zinc/79/67/06/377796706.db2.gz WDONZQQBFDBXJQ-KOLCDFICSA-N -1 3 298.795 2.679 20 30 CFEDHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329911612 378512770 /nfs/dbraw/zinc/51/27/70/378512770.db2.gz NVSNTQBVSFLBCL-IONNQARKSA-N -1 3 272.395 2.828 20 30 CFEDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000330302372 378534262 /nfs/dbraw/zinc/53/42/62/378534262.db2.gz OISOAYAZJUIYLW-SCZZXKLOSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000330302372 378534271 /nfs/dbraw/zinc/53/42/71/378534271.db2.gz OISOAYAZJUIYLW-SCZZXKLOSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000330302372 378534274 /nfs/dbraw/zinc/53/42/74/378534274.db2.gz OISOAYAZJUIYLW-SCZZXKLOSA-N -1 3 276.315 2.980 20 30 CFEDHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000331261559 378659631 /nfs/dbraw/zinc/65/96/31/378659631.db2.gz CODCKCYAHHHPDW-SECBINFHSA-N -1 3 286.784 2.534 20 30 CFEDHM C=C(C)CN(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163693060 378987463 /nfs/dbraw/zinc/98/74/63/378987463.db2.gz CNGDGHLCIOSAAY-UHFFFAOYSA-N -1 3 266.316 2.639 20 30 CFEDHM C=CCOCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000175614652 380100427 /nfs/dbraw/zinc/10/04/27/380100427.db2.gz RELANAWWUWHPHV-UHFFFAOYSA-N -1 3 269.728 2.967 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(F)c1 ZINC000336505523 380379371 /nfs/dbraw/zinc/37/93/71/380379371.db2.gz RYOQECQRSIGDAW-UHFFFAOYSA-N -1 3 282.321 2.560 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000336592689 380516173 /nfs/dbraw/zinc/51/61/73/380516173.db2.gz ZUSNEKPMNIXTSM-NSHDSACASA-N -1 3 261.321 2.582 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)COc1ccccc1C#N ZINC000179560938 380556963 /nfs/dbraw/zinc/55/69/63/380556963.db2.gz CEDDJMRDYJXTLJ-UHFFFAOYSA-N -1 3 282.299 2.590 20 30 CFEDHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000336796563 380645111 /nfs/dbraw/zinc/64/51/11/380645111.db2.gz UETMMHXSMBRNEU-UHFFFAOYSA-N -1 3 286.422 2.723 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCCc1ccccc1F ZINC000432718651 383748786 /nfs/dbraw/zinc/74/87/86/383748786.db2.gz KXHZJZUDIKYEBQ-UHFFFAOYSA-N -1 3 279.340 2.644 20 30 CFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408408626 380924393 /nfs/dbraw/zinc/92/43/93/380924393.db2.gz PQIPRNYXGXSNLO-HIFRSBDPSA-N -1 3 284.359 2.693 20 30 CFEDHM Cc1cnc([C@H](C)C/N=C/c2ccc(O)c([O-])c2O)s1 ZINC000182170886 381010721 /nfs/dbraw/zinc/01/07/21/381010721.db2.gz UNLSTSJIFFYGTF-BQNBSLLUSA-N -1 3 292.360 2.791 20 30 CFEDHM C=CC1CCN(C(=O)c2c[n-]c3ccc(C)cc3c2=O)CC1 ZINC000341581879 381100691 /nfs/dbraw/zinc/10/06/91/381100691.db2.gz DZDGSMDCCQUCIY-UHFFFAOYSA-N -1 3 296.370 2.875 20 30 CFEDHM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1ccncn1 ZINC000354460707 381286723 /nfs/dbraw/zinc/28/67/23/381286723.db2.gz FORYAARQESWSBQ-HNNXBMFYSA-N -1 3 288.310 2.757 20 30 CFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1ncccc1[O-] ZINC000359905380 381670003 /nfs/dbraw/zinc/67/00/03/381670003.db2.gz UKMFXSGKMMZJCB-UHFFFAOYSA-N -1 3 294.236 2.685 20 30 CFEDHM N#CCCCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185904957 381773153 /nfs/dbraw/zinc/77/31/53/381773153.db2.gz BSRIMXXBVOQYCT-UHFFFAOYSA-N -1 3 272.348 2.695 20 30 CFEDHM CC(C)[C@@H](C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000343681416 381884874 /nfs/dbraw/zinc/88/48/74/381884874.db2.gz WWOOLOSBQALUOT-CYBMUJFWSA-N -1 3 278.327 2.518 20 30 CFEDHM C=CC[C@@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000186450425 381915642 /nfs/dbraw/zinc/91/56/42/381915642.db2.gz KKVKUWYTJWZXKR-GFCCVEGCSA-N -1 3 260.362 2.565 20 30 CFEDHM C=CCCC(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000343841764 381975931 /nfs/dbraw/zinc/97/59/31/381975931.db2.gz ZSRKSOSIIHWVMB-UHFFFAOYSA-N -1 3 277.274 2.682 20 30 CFEDHM N#Cc1c(F)cccc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000187109158 382102757 /nfs/dbraw/zinc/10/27/57/382102757.db2.gz XTBITFDFKXFVKL-UHFFFAOYSA-N -1 3 298.249 2.739 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](CCOC)c1ccc(C)o1 ZINC000293557294 382173604 /nfs/dbraw/zinc/17/36/04/382173604.db2.gz UMEKFMSABFGRQP-LLVKDONJSA-N -1 3 287.306 2.993 20 30 CFEDHM COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1[O-] ZINC000357601062 382246703 /nfs/dbraw/zinc/24/67/03/382246703.db2.gz BOOBXRQXFYSQIX-UHFFFAOYSA-N -1 3 296.326 2.545 20 30 CFEDHM [O-]c1ccc2ccccc2c1/C=N/CCN1CCCOCC1 ZINC000187741835 382261758 /nfs/dbraw/zinc/26/17/58/382261758.db2.gz ZBRBHEYRDPSCFS-XMHGGMMESA-N -1 3 298.386 2.687 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)CNc1ccc(C#N)cc1 ZINC000352638961 382427388 /nfs/dbraw/zinc/42/73/88/382427388.db2.gz WSEKEWRCURWNEW-UHFFFAOYSA-N -1 3 281.315 2.623 20 30 CFEDHM C=CCN(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000358015777 382411094 /nfs/dbraw/zinc/41/10/94/382411094.db2.gz GEZZYAUAFLIYDX-UHFFFAOYSA-N -1 3 265.740 2.765 20 30 CFEDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000311799233 382508830 /nfs/dbraw/zinc/50/88/30/382508830.db2.gz DOLNCIYMQHCJIB-LBPRGKRZSA-N -1 3 298.795 2.679 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000382570869 382533440 /nfs/dbraw/zinc/53/34/40/382533440.db2.gz RBZYSRDHDIKTTJ-UHFFFAOYSA-N -1 3 284.406 2.621 20 30 CFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc2n[n-]nc2c1 ZINC000346951085 382583899 /nfs/dbraw/zinc/58/38/99/382583899.db2.gz WOXYTUHPHSPBGQ-UHFFFAOYSA-N -1 3 298.371 2.848 20 30 CFEDHM COC(=O)c1cnc(S[C@@H](C)c2cccc(C#N)c2)[n-]1 ZINC000193541110 382720888 /nfs/dbraw/zinc/72/08/88/382720888.db2.gz KBSFWASLZNXPLJ-VIFPVBQESA-N -1 3 287.344 2.921 20 30 CFEDHM O=C(N[O-])c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000226290035 382825818 /nfs/dbraw/zinc/82/58/18/382825818.db2.gz XBYVSFDDQKXFHZ-UHFFFAOYSA-N -1 3 282.639 2.627 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccc(OCC)c(OC)c1 ZINC000493709519 382880337 /nfs/dbraw/zinc/88/03/37/382880337.db2.gz RRNRKRWYZDYWHQ-OANVXVOSSA-N -1 3 291.347 2.729 20 30 CFEDHM CCC[C@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000541695059 382966031 /nfs/dbraw/zinc/96/60/31/382966031.db2.gz IVNCQFWPCLRYQB-GFCCVEGCSA-N -1 3 272.348 2.693 20 30 CFEDHM CC1(C)COc2ccc(C([O-])=C(C#N)c3ccncn3)cc21 ZINC000565393991 383178643 /nfs/dbraw/zinc/17/86/43/383178643.db2.gz VNRRATOTVNLGEB-LBPRGKRZSA-N -1 3 293.326 2.637 20 30 CFEDHM C=CCC1(C(=O)Nc2ccc([O-])cc2F)CCOCC1 ZINC000424793866 383263382 /nfs/dbraw/zinc/26/33/82/383263382.db2.gz SNFJSJLCFQKHFX-UHFFFAOYSA-N -1 3 279.311 2.843 20 30 CFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](CCC)C(=O)[O-] ZINC000568061648 383351554 /nfs/dbraw/zinc/35/15/54/383351554.db2.gz MUICJHYFUALEGR-AWEZNQCLSA-N -1 3 292.335 2.836 20 30 CFEDHM CCCOc1cccnc1C([O-])=C(C#N)c1ccccn1 ZINC000429096128 383505414 /nfs/dbraw/zinc/50/54/14/383505414.db2.gz CTBOCPVXWITQIM-GFCCVEGCSA-N -1 3 281.315 2.755 20 30 CFEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccoc2)n1 ZINC000434629954 383769830 /nfs/dbraw/zinc/76/98/30/383769830.db2.gz RTQJSNUCDLPIPX-GFCCVEGCSA-N -1 3 292.298 2.565 20 30 CFEDHM C=CCN(CCOC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436581006 383844442 /nfs/dbraw/zinc/84/44/42/383844442.db2.gz HUIALPPOIWGJPQ-UHFFFAOYSA-N -1 3 277.364 2.790 20 30 CFEDHM C=CCSCCNC(=O)c1ccc(CC)cc1[O-] ZINC000436813245 383896057 /nfs/dbraw/zinc/89/60/57/383896057.db2.gz HPCDRFOPDGSYPV-UHFFFAOYSA-N -1 3 265.378 2.604 20 30 CFEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C2CCC2)n1 ZINC000574181448 384059071 /nfs/dbraw/zinc/05/90/71/384059071.db2.gz FVSYUZWIEGIYRQ-LBPRGKRZSA-N -1 3 280.331 2.573 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)[nH]1 ZINC000642282657 384420148 /nfs/dbraw/zinc/42/01/48/384420148.db2.gz QLNHGUAHUDERSW-ZDUSSCGKSA-N -1 3 268.320 2.528 20 30 CFEDHM C#CCCCO[N-]C(=O)c1c(F)cccc1Cl ZINC000270914301 385267788 /nfs/dbraw/zinc/26/77/88/385267788.db2.gz MIGJPBJBDLIPOQ-UHFFFAOYSA-N -1 3 255.676 2.554 20 30 CFEDHM CCCOc1ccc(CN(C)C[C@@H](C)C#N)c([O-])c1 ZINC000271111426 385339115 /nfs/dbraw/zinc/33/91/15/385339115.db2.gz BNVAHQKFVGYOMC-LBPRGKRZSA-N -1 3 262.353 2.772 20 30 CFEDHM CCCN(CC#N)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271318147 385380356 /nfs/dbraw/zinc/38/03/56/385380356.db2.gz XUHVQEPZHTYNMK-UHFFFAOYSA-N -1 3 260.337 2.891 20 30 CFEDHM C=CCC1(C(=O)[N-]OCCC(F)(F)F)CCC1 ZINC000277069440 386122223 /nfs/dbraw/zinc/12/22/23/386122223.db2.gz PNRVKBVMPMTDOG-UHFFFAOYSA-N -1 3 251.248 2.733 20 30 CFEDHM Cc1ccc(C)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354462430 533654076 /nfs/dbraw/zinc/65/40/76/533654076.db2.gz HLQFHJHGMVAJKI-CYBMUJFWSA-N -1 3 251.289 2.584 20 30 CFEDHM C=CCCCN(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412136977 393763306 /nfs/dbraw/zinc/76/33/06/393763306.db2.gz WTICYCLKOUYOKK-UHFFFAOYSA-N -1 3 261.321 2.633 20 30 CFEDHM C=CCN(Cc1nc(C)ccc1[O-])CC(F)(F)F ZINC000092471840 393788731 /nfs/dbraw/zinc/78/87/31/393788731.db2.gz CIPZKSMJWVGAOM-UHFFFAOYSA-N -1 3 260.259 2.646 20 30 CFEDHM C[C@H](C#N)CN(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000339010924 393810255 /nfs/dbraw/zinc/81/02/55/393810255.db2.gz XXZYTMGHJGPEJU-SNVBAGLBSA-N -1 3 292.766 2.739 20 30 CFEDHM C[C@@H](C#N)CN(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000339010917 393810356 /nfs/dbraw/zinc/81/03/56/393810356.db2.gz XXZYTMGHJGPEJU-JTQLQIEISA-N -1 3 292.766 2.739 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000342986840 393876608 /nfs/dbraw/zinc/87/66/08/393876608.db2.gz CUUBUDHRMAILEA-SNVBAGLBSA-N -1 3 288.800 2.758 20 30 CFEDHM CCc1ccc(CC)c([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416959067 393946677 /nfs/dbraw/zinc/94/66/77/393946677.db2.gz PRGALKRIXWSBOU-CYBMUJFWSA-N -1 3 280.393 2.855 20 30 CFEDHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000416941089 393947100 /nfs/dbraw/zinc/94/71/00/393947100.db2.gz QADQVAIFMKISCL-RISCZKNCSA-N -1 3 296.392 2.908 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(SC)ccc1C ZINC000416966820 393947262 /nfs/dbraw/zinc/94/72/62/393947262.db2.gz YVUMHGCDQQWHLK-NSHDSACASA-N -1 3 284.406 2.761 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccccc1OC(C)C ZINC000417624594 393986058 /nfs/dbraw/zinc/98/60/58/393986058.db2.gz KNNODDYCVLQMHX-CQSZACIVSA-N -1 3 277.364 2.983 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(Cl)c1F ZINC000417631173 393987409 /nfs/dbraw/zinc/98/74/09/393987409.db2.gz VJWIRCNVMXSNHF-SNVBAGLBSA-N -1 3 271.719 2.988 20 30 CFEDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000125707003 394011168 /nfs/dbraw/zinc/01/11/68/394011168.db2.gz BXWHOAKIMPBBAN-ZDUSSCGKSA-N -1 3 296.367 2.554 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C)cc1 ZINC000125749315 394012765 /nfs/dbraw/zinc/01/27/65/394012765.db2.gz VBVJHPNKOHOVQW-CQSZACIVSA-N -1 3 296.317 2.841 20 30 CFEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000437000396 394042890 /nfs/dbraw/zinc/04/28/90/394042890.db2.gz UFJPGVKZIJZDPG-UHFFFAOYSA-N -1 3 281.315 2.866 20 30 CFEDHM N#Cc1cccc(CC(=O)Nc2cccc([O-])c2F)c1 ZINC000535657707 394537293 /nfs/dbraw/zinc/53/72/93/394537293.db2.gz IBYOBYRGYZHBJE-UHFFFAOYSA-N -1 3 270.263 2.584 20 30 CFEDHM CON(C)C(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001243131743 782004715 /nfs/dbraw/zinc/00/47/15/782004715.db2.gz ZJIYZKVZNNAJMS-GZTJUZNOSA-N -1 3 284.315 2.795 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000657037812 413297159 /nfs/dbraw/zinc/29/71/59/413297159.db2.gz KFBWGANKYVVYHW-QWHCGFSZSA-N -1 3 298.408 2.705 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000657037813 413296252 /nfs/dbraw/zinc/29/62/52/413296252.db2.gz KFBWGANKYVVYHW-STQMWFEESA-N -1 3 298.408 2.705 20 30 CFEDHM Cc1csc([N-]C(=O)c2ncncc2Cl)c1C#N ZINC000344929278 162149149 /nfs/dbraw/zinc/14/91/49/162149149.db2.gz OJHJTFZDIUWEBZ-UHFFFAOYSA-N -1 3 278.724 2.624 20 30 CFEDHM COc1ccc(C[S@](=O)c2cccc([O-])c2)cc1C#N ZINC000350504913 163089161 /nfs/dbraw/zinc/08/91/61/163089161.db2.gz COHGSGJYAXRGDJ-FQEVSTJZSA-N -1 3 287.340 2.580 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651563445 413519332 /nfs/dbraw/zinc/51/93/32/413519332.db2.gz WFZQFITUGNHZBZ-QMMMGPOBSA-N -1 3 277.748 2.722 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651726319 413593185 /nfs/dbraw/zinc/59/31/85/413593185.db2.gz IKMBEOQVZRZDJT-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000660143019 414670602 /nfs/dbraw/zinc/67/06/02/414670602.db2.gz PCJACQVAYZLVRH-UHFFFAOYSA-N -1 3 288.438 2.729 20 30 CFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCC2CCCC2)C1 ZINC000333655988 228208688 /nfs/dbraw/zinc/20/86/88/228208688.db2.gz FVTUUHZHYBUJPY-DZGCQCFKSA-N -1 3 298.452 2.959 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CC3)n1 ZINC000333301485 228196303 /nfs/dbraw/zinc/19/63/03/228196303.db2.gz LWXYRPAKNUOVJP-ZDUSSCGKSA-N -1 3 297.383 2.934 20 30 CFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000336223742 228217460 /nfs/dbraw/zinc/21/74/60/228217460.db2.gz SSGGKUMIVSEIMA-MEDUHNTESA-N -1 3 290.338 2.662 20 30 CFEDHM COc1ccc(CO)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001243175136 782036559 /nfs/dbraw/zinc/03/65/59/782036559.db2.gz ASDBOPVWUBQVNH-VLGSPTGOSA-N -1 3 283.327 2.979 20 30 CFEDHM N#CC1([N-]S(=O)(=O)c2cccs2)CCCCCC1 ZINC000040364983 260176321 /nfs/dbraw/zinc/17/63/21/260176321.db2.gz GNMUDKLKGUANKP-UHFFFAOYSA-N -1 3 284.406 2.643 20 30 CFEDHM N#CC1([N-]S(=O)(=O)c2ccccc2F)CCCCCC1 ZINC000040364994 260224130 /nfs/dbraw/zinc/22/41/30/260224130.db2.gz DRQLLOQHTUDGIU-UHFFFAOYSA-N -1 3 296.367 2.721 20 30 CFEDHM CC(C)N1CC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1=O ZINC000114630854 260672505 /nfs/dbraw/zinc/67/25/05/260672505.db2.gz URWILSPDRYRUBS-ZVCOJXFSSA-N -1 3 296.370 2.974 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000152165335 261060390 /nfs/dbraw/zinc/06/03/90/261060390.db2.gz 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CCCCOc1ccc(C(=O)N[C@H](CC)CC#N)c([O-])c1 ZINC000191028416 528667670 /nfs/dbraw/zinc/66/76/70/528667670.db2.gz LXXZSUBWQDAXNG-GFCCVEGCSA-N -1 3 290.363 2.993 20 30 CFEDHM CC(=CC([O-])=C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038925 574049881 /nfs/dbraw/zinc/04/98/81/574049881.db2.gz DHQGHKJEAYGFNY-MMRAYRKESA-N -1 3 285.347 2.721 20 30 CFEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NNC1CCCC1 ZINC000727652309 574058582 /nfs/dbraw/zinc/05/85/82/574058582.db2.gz XPYKONROXRMFJO-UHFFFAOYSA-N -1 3 281.718 2.668 20 30 CFEDHM COC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000753565331 574060363 /nfs/dbraw/zinc/06/03/63/574060363.db2.gz ZNQUULNHDXLGMW-WIJRQFRKSA-N -1 3 281.739 2.806 20 30 CFEDHM CNC(=O)C1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000753993414 574061576 /nfs/dbraw/zinc/06/15/76/574061576.db2.gz GEOVZKUCNHSWAB-GIJQJNRQSA-N -1 3 294.782 2.769 20 30 CFEDHM CC(C)N1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000754256673 574084349 /nfs/dbraw/zinc/08/43/49/574084349.db2.gz YMEWCSCROXZDEO-LLVKDONJSA-N -1 3 275.352 2.513 20 30 CFEDHM CC(=NNC(=S)NCC1CCC1)c1ccc([O-])c(F)c1 ZINC000728429975 574095650 /nfs/dbraw/zinc/09/56/50/574095650.db2.gz UHTNKDGMDJHNRT-UHFFFAOYSA-N -1 3 295.383 2.520 20 30 CFEDHM CC(=NNC(=S)NC(C)(C)C)c1ccc([O-])c(F)c1 ZINC000728427662 574095961 /nfs/dbraw/zinc/09/59/61/574095961.db2.gz HFENPYBBFDUMIR-UHFFFAOYSA-N -1 3 283.372 2.518 20 30 CFEDHM Cc1ccc([O-])c(CN=Nc2ncccc2C(F)(F)F)n1 ZINC000728781402 574108493 /nfs/dbraw/zinc/10/84/93/574108493.db2.gz TYFLGZUILQGTFX-UHFFFAOYSA-N -1 3 296.252 2.955 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ncc[nH]1 ZINC000731156567 574111263 /nfs/dbraw/zinc/11/12/63/574111263.db2.gz HIHTWSRTNYGOJP-UQBZRGDZSA-N -1 3 258.252 2.638 20 30 CFEDHM C[C@]1(c2ccccc2)C[C@H]1/N=C\c1ccc(O)c([O-])c1O ZINC000741465831 574120604 /nfs/dbraw/zinc/12/06/04/574120604.db2.gz YVXPICIZBMATOD-REZHHOKVSA-N -1 3 283.327 2.953 20 30 CFEDHM CC(=NNc1ccncc1Cl)c1ccccc1[O-] ZINC000756842032 574132480 /nfs/dbraw/zinc/13/24/80/574132480.db2.gz IOIVISDCFBTTSI-UHFFFAOYSA-N -1 3 261.712 2.699 20 30 CFEDHM Cc1cc(N=NC(C)c2cc(Cl)ccc2[O-])ncn1 ZINC000731934758 574134938 /nfs/dbraw/zinc/13/49/38/574134938.db2.gz HGSHCKQFCIOEKE-UHFFFAOYSA-N -1 3 276.727 2.980 20 30 CFEDHM Cc1cc(NN=Cc2ccc([O-])c(Cl)c2)ncn1 ZINC000731934723 574135108 /nfs/dbraw/zinc/13/51/08/574135108.db2.gz GFUCWZMXLJXISP-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM CC[C@H](/N=C\c1ccc(O)c([O-])c1O)c1nccs1 ZINC000737444369 574141591 /nfs/dbraw/zinc/14/15/91/574141591.db2.gz QASCBXDWAQGELV-KLLFSAEGSA-N -1 3 278.333 2.830 20 30 CFEDHM N#CCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000737688404 574151981 /nfs/dbraw/zinc/15/19/81/574151981.db2.gz TTWAEQJEJRSRRX-UHFFFAOYSA-N -1 3 293.334 2.521 20 30 CFEDHM N#CCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000737688404 574151983 /nfs/dbraw/zinc/15/19/83/574151983.db2.gz TTWAEQJEJRSRRX-UHFFFAOYSA-N -1 3 293.334 2.521 20 30 CFEDHM CCCCCCCCCC=CC(=O)Nc1nnn[n-]1 ZINC000737860122 574153753 /nfs/dbraw/zinc/15/37/53/574153753.db2.gz ZDFCCRCRWCBIEN-KHPPLWFESA-N -1 3 265.361 2.835 20 30 CFEDHM CCCCCCCCCC=CC(=O)Nc1nn[n-]n1 ZINC000737860122 574153757 /nfs/dbraw/zinc/15/37/57/574153757.db2.gz ZDFCCRCRWCBIEN-KHPPLWFESA-N -1 3 265.361 2.835 20 30 CFEDHM CCCCCCCCC/C=C\C(=O)Nc1nn[n-]n1 ZINC000737860122 574153759 /nfs/dbraw/zinc/15/37/59/574153759.db2.gz ZDFCCRCRWCBIEN-KHPPLWFESA-N -1 3 265.361 2.835 20 30 CFEDHM CCCCCCCCCC=CC(=O)Nc1nnn[n-]1 ZINC000737860123 574153785 /nfs/dbraw/zinc/15/37/85/574153785.db2.gz ZDFCCRCRWCBIEN-ZHACJKMWSA-N -1 3 265.361 2.835 20 30 CFEDHM CCCCCCCCCC=CC(=O)Nc1nn[n-]n1 ZINC000737860123 574153787 /nfs/dbraw/zinc/15/37/87/574153787.db2.gz ZDFCCRCRWCBIEN-ZHACJKMWSA-N -1 3 265.361 2.835 20 30 CFEDHM CCCCCCCCC/C=C/C(=O)Nc1nn[n-]n1 ZINC000737860123 574153790 /nfs/dbraw/zinc/15/37/90/574153790.db2.gz ZDFCCRCRWCBIEN-ZHACJKMWSA-N -1 3 265.361 2.835 20 30 CFEDHM COc1cccc([O-])c1/C=N/CCc1cnc(C2CC2)nc1 ZINC000755376308 574157546 /nfs/dbraw/zinc/15/75/46/574157546.db2.gz MTVDSXABIKUMBP-WOJGMQOQSA-N -1 3 297.358 2.730 20 30 CFEDHM [O-]c1ccc(C=Nn2cnc3ccccc32)cc1F ZINC000755611830 574171350 /nfs/dbraw/zinc/17/13/50/574171350.db2.gz JRZIJVHJWWVSGL-UHFFFAOYSA-N -1 3 255.252 2.763 20 30 CFEDHM O=[N+]([O-])c1ccc(N=NCc2c([O-])cccc2Cl)nc1 ZINC000755649636 574174998 /nfs/dbraw/zinc/17/49/98/574174998.db2.gz MJZGKLCBORYRRO-UHFFFAOYSA-N -1 3 292.682 2.795 20 30 CFEDHM Cc1cc(C)cc(CC/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000740763239 574176868 /nfs/dbraw/zinc/17/68/68/574176868.db2.gz CYSWFZXMFZVETN-GRSHGNNSSA-N -1 3 298.386 2.866 20 30 CFEDHM CC(=Nn1cc(Br)cn1)c1cc(F)ccc1[O-] ZINC000752746697 574176991 /nfs/dbraw/zinc/17/69/91/574176991.db2.gz SYJKYJDDNDBVEF-UHFFFAOYSA-N -1 3 298.115 2.763 20 30 CFEDHM CCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccn1 ZINC000729150345 574179626 /nfs/dbraw/zinc/17/96/26/574179626.db2.gz USRQJLAYWPLQIY-ANQVYJHKSA-N -1 3 299.374 2.943 20 30 CFEDHM CC(=O)Nc1ccc([O-])c(C(C)=NO[C@@H]2CCCCO2)c1 ZINC000755820657 574189949 /nfs/dbraw/zinc/18/99/49/574189949.db2.gz KKLTXJCOPZVEFZ-OAHLLOKOSA-N -1 3 292.335 2.618 20 30 CFEDHM CCOc1ccc(/C=N\Cc2cccc(F)n2)c([O-])c1 ZINC000747692172 574206839 /nfs/dbraw/zinc/20/68/39/574206839.db2.gz ZWHVJOBTCKOLKV-MFOYZWKCSA-N -1 3 274.295 2.944 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2ccc(F)cc2F)c1[O-] ZINC000747707115 574207585 /nfs/dbraw/zinc/20/75/85/574207585.db2.gz FJANSJVUZPKQIH-UHFFFAOYSA-N -1 3 278.258 2.617 20 30 CFEDHM O=C1CCCN1c1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000747712906 574208288 /nfs/dbraw/zinc/20/82/88/574208288.db2.gz KWERIRKLZFXFBY-UHFFFAOYSA-N -1 3 296.326 2.975 20 30 CFEDHM CCOc1ccc(/C=N/Cc2cccc(OC)n2)c([O-])c1 ZINC000748033975 574226033 /nfs/dbraw/zinc/22/60/33/574226033.db2.gz PCENTOUGBLAOOZ-LICLKQGHSA-N -1 3 286.331 2.814 20 30 CFEDHM CC(N=Nc1cncc(Cl)n1)c1ccc([O-])cc1F ZINC000729932066 574238420 /nfs/dbraw/zinc/23/84/20/574238420.db2.gz BDTHFUFZZBFQCM-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM CCCCOC(=O)C/N=C/c1ccc(OCC)cc1[O-] ZINC000730146554 574256056 /nfs/dbraw/zinc/25/60/56/574256056.db2.gz BAYHUOZVEBHQCH-MHWRWJLKSA-N -1 3 279.336 2.553 20 30 CFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000733898409 574260724 /nfs/dbraw/zinc/26/07/24/574260724.db2.gz IHOUWWIMULYWEX-UHFFFAOYSA-N -1 3 292.187 2.684 20 30 CFEDHM CC[C@@H]1CCC[C@H](/N=C\c2c([O-])c(C)ncc2CO)C1 ZINC000740763170 574265783 /nfs/dbraw/zinc/26/57/83/574265783.db2.gz AREWCDFBTADJCG-UFPPMKBDSA-N -1 3 276.380 2.976 20 30 CFEDHM CCOC(=O)C1(C/N=C/c2c([O-])cccc2OC)CCC1 ZINC000740763944 574265869 /nfs/dbraw/zinc/26/58/69/574265869.db2.gz UOSGZNZZQYRDMN-LICLKQGHSA-N -1 3 291.347 2.553 20 30 CFEDHM [O-]c1c(O)ccc(C=NNCc2cccc(Cl)c2)c1O ZINC000756832802 574266017 /nfs/dbraw/zinc/26/60/17/574266017.db2.gz WJBNAEAQOVCPGN-UHFFFAOYSA-N -1 3 292.722 2.581 20 30 CFEDHM CCc1c(C)sc([N-]C(=O)c2ncccn2)c1C#N ZINC000748799128 574266802 /nfs/dbraw/zinc/26/68/02/574266802.db2.gz OECCKDOSXYIZFS-UHFFFAOYSA-N -1 3 272.333 2.533 20 30 CFEDHM CCC(CC)NN=C1C(=O)[N-]c2c1cc(C)cc2F ZINC000734364807 574283977 /nfs/dbraw/zinc/28/39/77/574283977.db2.gz GOZIAZNKQJPRLJ-UHFFFAOYSA-N -1 3 263.316 2.569 20 30 CFEDHM C#CCOc1cc(F)ccc1N=Cc1cccc([O-])c1O ZINC000741463190 574291119 /nfs/dbraw/zinc/29/11/19/574291119.db2.gz APCQEPWTPOFGCR-UHFFFAOYSA-N -1 3 285.274 3.000 20 30 CFEDHM [O-]c1ccc(-c2ccccc2)cc1C=NN1CCOCC1 ZINC000749444446 574295443 /nfs/dbraw/zinc/29/54/43/574295443.db2.gz WQHRGSVLZHTKHJ-UHFFFAOYSA-N -1 3 282.343 2.725 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000741844450 574306678 /nfs/dbraw/zinc/30/66/78/574306678.db2.gz PGUUEVGRVGFKDO-KWCWFENBSA-N -1 3 288.391 2.976 20 30 CFEDHM COc1cccc([O-])c1/C=N/C1CCC(C)(O)CC1 ZINC000749846538 574312463 /nfs/dbraw/zinc/31/24/63/574312463.db2.gz YCWFUPVIPHVEEG-MHWRWJLKSA-N -1 3 263.337 2.513 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207232 574316504 /nfs/dbraw/zinc/31/65/04/574316504.db2.gz FVJAAMHZDFNSRF-VYLZPFMQSA-N -1 3 286.331 2.699 20 30 CFEDHM C=CC1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735409818 574322577 /nfs/dbraw/zinc/32/25/77/574322577.db2.gz LYFADYWPPQGAPY-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=CC1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735409818 574322580 /nfs/dbraw/zinc/32/25/80/574322580.db2.gz LYFADYWPPQGAPY-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=CCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735412981 574322870 /nfs/dbraw/zinc/32/28/70/574322870.db2.gz NWAAFSSGBBUPSH-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM C=CCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735412981 574322872 /nfs/dbraw/zinc/32/28/72/574322872.db2.gz NWAAFSSGBBUPSH-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM Cc1ncsc1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000742432485 574330480 /nfs/dbraw/zinc/33/04/80/574330480.db2.gz XCFQSCYAAAZQMB-RMKNXTFCSA-N -1 3 257.314 2.980 20 30 CFEDHM Cc1cccc(F)c1C/N=C\c1c([O-])c(C)ncc1CO ZINC000743042503 574352197 /nfs/dbraw/zinc/35/21/97/574352197.db2.gz LSRIBOMHSBYQHJ-LSCVHKIXSA-N -1 3 288.322 2.655 20 30 CFEDHM O=S(=O)(CCc1ccccc1)[N-]N=CC1CCCCC1 ZINC000743448918 574364876 /nfs/dbraw/zinc/36/48/76/574364876.db2.gz HDZWUKRZQXYHBE-UHFFFAOYSA-N -1 3 294.420 2.715 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1ccc2c(c1)CCO2 ZINC000750950472 574365137 /nfs/dbraw/zinc/36/51/37/574365137.db2.gz WDZIAEWOWVDSBF-WOJGMQOQSA-N -1 3 283.327 2.955 20 30 CFEDHM N#CC(=C([O-])C1=COCC1)c1ccc2ccccc2n1 ZINC000744015972 574375888 /nfs/dbraw/zinc/37/58/88/574375888.db2.gz FXODJKWGLKEJDU-CYBMUJFWSA-N -1 3 264.284 2.715 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1ncccc1F ZINC000751518135 574378237 /nfs/dbraw/zinc/37/82/37/574378237.db2.gz UFNHWJHGVWKANC-LZYBPNLTSA-N -1 3 260.268 2.554 20 30 CFEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc([O-])cc1F ZINC000751528927 574378436 /nfs/dbraw/zinc/37/84/36/574378436.db2.gz LKCYFOVTKMPMBL-QMMMGPOBSA-N -1 3 295.383 2.518 20 30 CFEDHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1ccc(F)cc1 ZINC000752483614 574391784 /nfs/dbraw/zinc/39/17/84/574391784.db2.gz NHIWZIQXQBVGJY-SECBINFHSA-N -1 3 258.252 2.943 20 30 CFEDHM N#Cc1ccc(C(=O)OCc2cnc3ccccc3c2)[n-]1 ZINC000752494867 574392063 /nfs/dbraw/zinc/39/20/63/574392063.db2.gz BVZDBCHDJHQOAU-UHFFFAOYSA-N -1 3 277.283 2.792 20 30 CFEDHM Cn1c(Cl)cnc1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000752885983 574396141 /nfs/dbraw/zinc/39/61/41/574396141.db2.gz KBCJLSDRUNHSTO-VURMDHGXSA-N -1 3 274.707 2.602 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@H](OC)C1(C)C ZINC000753139307 574399277 /nfs/dbraw/zinc/39/92/77/574399277.db2.gz SIXYDVRHUDHTDP-FNRROANYSA-N -1 3 263.337 2.633 20 30 CFEDHM CCCCCCCCCC(=O)[N-]O[C@@H]1CCOC1 ZINC000753197305 574400054 /nfs/dbraw/zinc/40/00/54/574400054.db2.gz FACZSMQIVBZNEJ-CYBMUJFWSA-N -1 3 257.374 2.964 20 30 CFEDHM COc1cccc([O-])c1C=Nc1cccc2c1oc(=O)n2C ZINC000753639143 574407338 /nfs/dbraw/zinc/40/73/38/574407338.db2.gz UMLGTCACZHAJEK-UHFFFAOYSA-N -1 3 298.298 2.596 20 30 CFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000819719097 607252548 /nfs/dbraw/zinc/25/25/48/607252548.db2.gz ZHEQUCIKIUTFEX-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000819719097 607252549 /nfs/dbraw/zinc/25/25/49/607252549.db2.gz ZHEQUCIKIUTFEX-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM O=C(C1SCCCS1)N([O-])Cc1ccc(F)cc1 ZINC000900094512 620637075 /nfs/dbraw/zinc/63/70/75/620637075.db2.gz NZSDXFZROVOZLV-UHFFFAOYSA-N -1 3 287.381 2.740 20 30 CFEDHM O=C(C1CCSCC1)N([O-])Cc1ccc(F)cc1 ZINC000900095985 620637657 /nfs/dbraw/zinc/63/76/57/620637657.db2.gz NEOSWWPDMMNXIV-UHFFFAOYSA-N -1 3 269.341 2.687 20 30 CFEDHM C[C@@H](Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820456879 599356491 /nfs/dbraw/zinc/35/64/91/599356491.db2.gz WVZPNSUOZXRTDI-LLVKDONJSA-N -1 3 290.330 2.911 20 30 CFEDHM C[C@@H](Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820456879 599356494 /nfs/dbraw/zinc/35/64/94/599356494.db2.gz WVZPNSUOZXRTDI-LLVKDONJSA-N -1 3 290.330 2.911 20 30 CFEDHM CN(Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830844841 601309486 /nfs/dbraw/zinc/30/94/86/601309486.db2.gz JBOZDHXDSCFUAQ-MRXNPFEDSA-N -1 3 298.317 2.955 20 30 CFEDHM C=CC1(CC(=O)[N-]OC[C@@H]2CCOC2)CCCCC1 ZINC000935593477 649920439 /nfs/dbraw/zinc/92/04/39/649920439.db2.gz JODRACYDKFKOBG-CYBMUJFWSA-N -1 3 267.369 2.597 20 30 CFEDHM C=CCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1 ZINC000833376523 604551510 /nfs/dbraw/zinc/55/15/10/604551510.db2.gz ZAHFVOSEHQZTMU-UHFFFAOYSA-N -1 3 270.332 2.901 20 30 CFEDHM CC(C)(C#N)CCCOc1ccccc1-c1nnn[n-]1 ZINC000819891643 606170564 /nfs/dbraw/zinc/17/05/64/606170564.db2.gz FPVWDWXWEJTPKS-UHFFFAOYSA-N -1 3 271.324 2.575 20 30 CFEDHM CC(C)(C#N)CCCOc1ccccc1-c1nn[n-]n1 ZINC000819891643 606170565 /nfs/dbraw/zinc/17/05/65/606170565.db2.gz FPVWDWXWEJTPKS-UHFFFAOYSA-N -1 3 271.324 2.575 20 30 CFEDHM C=C(C)CSCc1ccc(-c2nnn[n-]2)cc1F ZINC000819722526 606179260 /nfs/dbraw/zinc/17/92/60/606179260.db2.gz LRBAIMXCNBNDFA-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=C(C)CSCc1ccc(-c2nn[n-]n2)cc1F ZINC000819722526 606179261 /nfs/dbraw/zinc/17/92/61/606179261.db2.gz LRBAIMXCNBNDFA-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCCCC(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000819734955 606334948 /nfs/dbraw/zinc/33/49/48/606334948.db2.gz YBFOITPHJUYKDS-UHFFFAOYSA-N -1 3 291.380 2.785 20 30 CFEDHM C=CCCCC(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000819734955 606334950 /nfs/dbraw/zinc/33/49/50/606334950.db2.gz YBFOITPHJUYKDS-UHFFFAOYSA-N -1 3 291.380 2.785 20 30 CFEDHM Fc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822783040 606367915 /nfs/dbraw/zinc/36/79/15/606367915.db2.gz RRXGIWARMSTUOG-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM CC1(C)CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820589439 606623230 /nfs/dbraw/zinc/62/32/30/606623230.db2.gz FRQNWGWKWQUQOT-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC1(C)CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820589439 606623232 /nfs/dbraw/zinc/62/32/32/606623232.db2.gz FRQNWGWKWQUQOT-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM N#Cc1ccc(Cl)cc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000822825407 606790854 /nfs/dbraw/zinc/79/08/54/606790854.db2.gz DLWYUOKAFCVMGU-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1ccc(Cl)cc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000822825407 606790853 /nfs/dbraw/zinc/79/08/53/606790853.db2.gz DLWYUOKAFCVMGU-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#CCCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000822805977 606822848 /nfs/dbraw/zinc/82/28/48/606822848.db2.gz HOXSWEQFRXGSFF-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM N#CCCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000822805977 606822849 /nfs/dbraw/zinc/82/28/49/606822849.db2.gz HOXSWEQFRXGSFF-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM CC(C)(C#N)CCCNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819892106 606827709 /nfs/dbraw/zinc/82/77/09/606827709.db2.gz UWQGCTRZFAGGRW-UHFFFAOYSA-N -1 3 288.330 2.748 20 30 CFEDHM CC(C)(C#N)CCCNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819892106 606827710 /nfs/dbraw/zinc/82/77/10/606827710.db2.gz UWQGCTRZFAGGRW-UHFFFAOYSA-N -1 3 288.330 2.748 20 30 CFEDHM C=CCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819740162 606840671 /nfs/dbraw/zinc/84/06/71/606840671.db2.gz RROLTFQXRCZTEI-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=CCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819740162 606840672 /nfs/dbraw/zinc/84/06/72/606840672.db2.gz RROLTFQXRCZTEI-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C#CCCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819692356 606947236 /nfs/dbraw/zinc/94/72/36/606947236.db2.gz DLYXPIILVPMQCS-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C#CCCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819692356 606947238 /nfs/dbraw/zinc/94/72/38/606947238.db2.gz DLYXPIILVPMQCS-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C#CCCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819692716 606947385 /nfs/dbraw/zinc/94/73/85/606947385.db2.gz HRVDZKVNGZPRRH-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C#CCCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819692716 606947386 /nfs/dbraw/zinc/94/73/86/606947386.db2.gz HRVDZKVNGZPRRH-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C=CCCCCCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC000823893961 608289413 /nfs/dbraw/zinc/28/94/13/608289413.db2.gz CJPINPPUBWHJIS-UHFFFAOYSA-N -1 3 286.383 2.753 20 30 CFEDHM C=CCCCCCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC000823893961 608289414 /nfs/dbraw/zinc/28/94/14/608289414.db2.gz CJPINPPUBWHJIS-UHFFFAOYSA-N -1 3 286.383 2.753 20 30 CFEDHM O=C(c1cnn(C2CCC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000900678445 620700957 /nfs/dbraw/zinc/70/09/57/620700957.db2.gz IBCGUUXPLOJVJZ-UHFFFAOYSA-N -1 3 289.310 2.779 20 30 CFEDHM CC1(CC(=O)N([O-])Cc2cccc3ccccc32)COC1 ZINC000900679596 620701471 /nfs/dbraw/zinc/70/14/71/620701471.db2.gz SDZJJWGBJTZQMQ-UHFFFAOYSA-N -1 3 285.343 2.984 20 30 CFEDHM CC1(CC(=O)N([O-])CCCCc2ccccc2)COC1 ZINC000900677703 620701219 /nfs/dbraw/zinc/70/12/19/620701219.db2.gz BXHZXFSLTGAYEH-UHFFFAOYSA-N -1 3 277.364 2.654 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@@]12CCO[C@H]1CCCC2 ZINC000900680090 620701742 /nfs/dbraw/zinc/70/17/42/620701742.db2.gz XOGYQCMFOFDVRG-HOCLYGCPSA-N -1 3 293.338 2.893 20 30 CFEDHM Cc1c(C#N)cccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826234406 609489318 /nfs/dbraw/zinc/48/93/18/609489318.db2.gz VAMLATBYDBKMIC-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM N#CCc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826382427 609524486 /nfs/dbraw/zinc/52/44/86/609524486.db2.gz DNYPREWJXNGWCZ-UHFFFAOYSA-N -1 3 290.330 2.545 20 30 CFEDHM N#CCc1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826382427 609524487 /nfs/dbraw/zinc/52/44/87/609524487.db2.gz DNYPREWJXNGWCZ-UHFFFAOYSA-N -1 3 290.330 2.545 20 30 CFEDHM C=CCCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823893927 609615493 /nfs/dbraw/zinc/61/54/93/609615493.db2.gz BOZXLSXIJPGXHB-UHFFFAOYSA-N -1 3 292.726 2.530 20 30 CFEDHM C=CCCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823893927 609615494 /nfs/dbraw/zinc/61/54/94/609615494.db2.gz BOZXLSXIJPGXHB-UHFFFAOYSA-N -1 3 292.726 2.530 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891474339 617625510 /nfs/dbraw/zinc/62/55/10/617625510.db2.gz RSRRLQFYHMSODM-CQSZACIVSA-N -1 3 289.314 2.547 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891474339 617625514 /nfs/dbraw/zinc/62/55/14/617625514.db2.gz RSRRLQFYHMSODM-CQSZACIVSA-N -1 3 289.314 2.547 20 30 CFEDHM C=CC[C@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000890551384 617643596 /nfs/dbraw/zinc/64/35/96/617643596.db2.gz BNVRPIAQLOLGGB-VIFPVBQESA-N -1 3 251.713 2.836 20 30 CFEDHM C#C[C@@H]1CCCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000890651464 617737200 /nfs/dbraw/zinc/73/72/00/617737200.db2.gz PSNNRTMJPKIDNO-CYBMUJFWSA-N -1 3 257.333 2.583 20 30 CFEDHM [O-]c1ccc2c(c1F)CCC2=NNc1ccnc(F)c1 ZINC000807983206 618031467 /nfs/dbraw/zinc/03/14/67/618031467.db2.gz YXPROQQHBADHPU-UHFFFAOYSA-N -1 3 275.258 2.828 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000846542949 618110729 /nfs/dbraw/zinc/11/07/29/618110729.db2.gz JLVBFBLJIDMYBD-SNVBAGLBSA-N -1 3 253.729 2.895 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(F)cc1F ZINC000846550849 618113451 /nfs/dbraw/zinc/11/34/51/618113451.db2.gz ZCDDMGKAIIIQRQ-VIFPVBQESA-N -1 3 255.264 2.520 20 30 CFEDHM O=C(C#Cc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000179649663 618334009 /nfs/dbraw/zinc/33/40/09/618334009.db2.gz VAOLORLSWSREBT-UHFFFAOYSA-N -1 3 255.248 2.522 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(C)s1 ZINC000178706707 618339810 /nfs/dbraw/zinc/33/98/10/618339810.db2.gz YJSTUYKDXJKSLX-LBPRGKRZSA-N -1 3 299.355 2.721 20 30 CFEDHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372849 620797717 /nfs/dbraw/zinc/79/77/17/620797717.db2.gz OBNKHLAHOHXONF-CHWSQXEVSA-N -1 3 281.327 2.747 20 30 CFEDHM O=C(c1cccc2cn[nH]c21)N([O-])Cc1ccc(F)cc1 ZINC000901376442 620798488 /nfs/dbraw/zinc/79/84/88/620798488.db2.gz SOFWQLLTDPICGX-UHFFFAOYSA-N -1 3 285.278 2.734 20 30 CFEDHM CC(C)(C)n1cc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000901376021 620798791 /nfs/dbraw/zinc/79/87/91/620798791.db2.gz NPZMNCTUUWSPKZ-UHFFFAOYSA-N -1 3 291.326 2.809 20 30 CFEDHM CCC(F)(F)C(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000832336219 625286495 /nfs/dbraw/zinc/28/64/95/625286495.db2.gz NEXWCMWFCCPCLL-AWEZNQCLSA-N -1 3 278.302 2.599 20 30 CFEDHM C=CCC1(C(=O)[N-]OCCOC(C)C)CCCCC1 ZINC000832337348 625288255 /nfs/dbraw/zinc/28/82/55/625288255.db2.gz UCDIOLJAJPCVSR-UHFFFAOYSA-N -1 3 269.385 2.986 20 30 CFEDHM Cn1cc([N-]c2cc(C#N)sc2[N+](=O)[O-])c(C2CC2)n1 ZINC000893929537 619245864 /nfs/dbraw/zinc/24/58/64/619245864.db2.gz IGARWFXUQBWORD-UHFFFAOYSA-N -1 3 289.320 2.882 20 30 CFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(Cl)c2)c1[O-] ZINC000747707464 619262746 /nfs/dbraw/zinc/26/27/46/619262746.db2.gz JVTDUDZJZJRZRZ-IUXPMGMMSA-N -1 3 290.750 2.860 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C#N)C2)c([O-])c1 ZINC000928221976 619324587 /nfs/dbraw/zinc/32/45/87/619324587.db2.gz HQXASPNDIOXSKA-LBPRGKRZSA-N -1 3 272.348 2.891 20 30 CFEDHM C=CCC1(O)CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000895833723 619619752 /nfs/dbraw/zinc/61/97/52/619619752.db2.gz DCHGTWOEXRBDDJ-UHFFFAOYSA-N -1 3 283.318 2.573 20 30 CFEDHM C#CC1(NCc2ncc(Br)cc2[O-])CCCC1 ZINC000896026244 619656593 /nfs/dbraw/zinc/65/65/93/619656593.db2.gz JTPNHMLGXPGZHS-UHFFFAOYSA-N -1 3 295.180 2.585 20 30 CFEDHM CC1(C)COC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840711103 619923719 /nfs/dbraw/zinc/92/37/19/619923719.db2.gz WLTHVWWOJDSXMA-FVTUNSQFSA-N -1 3 298.180 2.999 20 30 CFEDHM C[C@]1(C#N)CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000897586627 620252533 /nfs/dbraw/zinc/25/25/33/620252533.db2.gz RONBUYOEQQHOBP-KRWDZBQOSA-N -1 3 282.343 2.660 20 30 CFEDHM Cc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C(C)C ZINC000899351327 620550718 /nfs/dbraw/zinc/55/07/18/620550718.db2.gz GUNSNQAQNYHWQO-AWEZNQCLSA-N -1 3 255.321 2.549 20 30 CFEDHM C=CCOC[C@H](NCc1c(Cl)cccc1CC)C(=O)[O-] ZINC000901809139 620921237 /nfs/dbraw/zinc/92/12/37/620921237.db2.gz OJPOTFSVUXBYTQ-AWEZNQCLSA-N -1 3 297.782 2.648 20 30 CFEDHM C=CCC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912195 620938695 /nfs/dbraw/zinc/93/86/95/620938695.db2.gz QKAFMGZGJIXDGK-IUCAKERBSA-N -1 3 254.355 2.847 20 30 CFEDHM C=CCC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912197 620939002 /nfs/dbraw/zinc/93/90/02/620939002.db2.gz QKAFMGZGJIXDGK-RKDXNWHRSA-N -1 3 254.355 2.847 20 30 CFEDHM C=C[C@H]1CCCCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902545340 621123707 /nfs/dbraw/zinc/12/37/07/621123707.db2.gz VNXHQAKBKGDSTN-LAUAKBEESA-N -1 3 261.321 2.918 20 30 CFEDHM COC(=O)c1ccc([O-])c([C@H](C)NCC2(C#N)CCC2)c1 ZINC000903031031 621229678 /nfs/dbraw/zinc/22/96/78/621229678.db2.gz AMCOERXPINLRDN-NSHDSACASA-N -1 3 288.347 2.523 20 30 CFEDHM C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C(=O)[O-] ZINC000903409629 621364808 /nfs/dbraw/zinc/36/48/08/621364808.db2.gz WSWYZCJWOJJBPM-HZMBPMFUSA-N -1 3 292.766 2.754 20 30 CFEDHM CC(C)[C@H]1C[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173286 621541662 /nfs/dbraw/zinc/54/16/62/621541662.db2.gz IFXPDHLXTPAVKB-OLZOCXBDSA-N -1 3 251.301 2.836 20 30 CFEDHM CC1=C(C(=O)N([O-])Cc2ccc(F)cc2)SCCO1 ZINC000904172905 621541709 /nfs/dbraw/zinc/54/17/09/621541709.db2.gz DFHWWZFSEKALJD-UHFFFAOYSA-N -1 3 283.324 2.538 20 30 CFEDHM Cc1nc(CCC(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000904174412 621541818 /nfs/dbraw/zinc/54/18/18/621541818.db2.gz ABYAPMHZPXZDGK-UHFFFAOYSA-N -1 3 294.351 2.941 20 30 CFEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)N(C)C ZINC000904173508 621542211 /nfs/dbraw/zinc/54/22/11/621542211.db2.gz SKSCKMVZFSLTSX-GFCCVEGCSA-N -1 3 272.348 2.508 20 30 CFEDHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173890 621542223 /nfs/dbraw/zinc/54/22/23/621542223.db2.gz SHPZAQZNBMAROI-JQWIXIFHSA-N -1 3 279.311 2.549 20 30 CFEDHM O=C(c1occ2c1CCOC2)N([O-])Cc1ccc(F)cc1 ZINC000904177898 621543583 /nfs/dbraw/zinc/54/35/83/621543583.db2.gz RUXRFYUFSVDHCO-UHFFFAOYSA-N -1 3 291.278 2.523 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC000904206550 621544016 /nfs/dbraw/zinc/54/40/16/621544016.db2.gz BJLYVNOLUPPRRJ-ZDUSSCGKSA-N -1 3 279.384 2.552 20 30 CFEDHM CCCCN([O-])C(=O)CCc1ccccc1OC ZINC000904206971 621544189 /nfs/dbraw/zinc/54/41/89/621544189.db2.gz NLPUQMNZHKFZCS-UHFFFAOYSA-N -1 3 251.326 2.646 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)OCc1ccccc1 ZINC000904208671 621544498 /nfs/dbraw/zinc/54/44/98/621544498.db2.gz GEVMMDDGVKXVJD-GFCCVEGCSA-N -1 3 251.326 2.610 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1cnccc1C ZINC000904207373 621544586 /nfs/dbraw/zinc/54/45/86/621544586.db2.gz ZOONJSNPAZNWSK-UHFFFAOYSA-N -1 3 250.342 2.731 20 30 CFEDHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N([O-])CCCC ZINC000904208191 621544641 /nfs/dbraw/zinc/54/46/41/621544641.db2.gz PQMCEROJMRCXPA-GFCCVEGCSA-N -1 3 288.347 2.520 20 30 CFEDHM CCCCN([O-])C(=O)c1sc(-c2ncccn2)nc1C ZINC000904208933 621545030 /nfs/dbraw/zinc/54/50/30/621545030.db2.gz MVQAHUNOJJWXAB-UHFFFAOYSA-N -1 3 292.364 2.540 20 30 CFEDHM O=C(CCCn1cccn1)N([O-])Cc1ccccc1Cl ZINC000904188711 621545473 /nfs/dbraw/zinc/54/54/73/621545473.db2.gz KWUZJVWZHOOOTH-UHFFFAOYSA-N -1 3 293.754 2.735 20 30 CFEDHM CC(C)(C)N1CC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192497 621546307 /nfs/dbraw/zinc/54/63/07/621546307.db2.gz ODURNYAZKYAWOR-ZDUSSCGKSA-N -1 3 296.798 2.931 20 30 CFEDHM CCn1ccc(CC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904193463 621546861 /nfs/dbraw/zinc/54/68/61/621546861.db2.gz PMQLGCWZKSLASS-UHFFFAOYSA-N -1 3 293.754 2.517 20 30 CFEDHM O=C(CC1CSC1)N([O-])Cc1ccccc1Cl ZINC000904192843 621546905 /nfs/dbraw/zinc/54/69/05/621546905.db2.gz DDKMAQHXDWLESJ-UHFFFAOYSA-N -1 3 271.769 2.811 20 30 CFEDHM Cc1cn(C)nc1C(=O)N([O-])CCCCc1ccccc1 ZINC000904195501 621547232 /nfs/dbraw/zinc/54/72/32/621547232.db2.gz GHLVQZXYFBFZSB-UHFFFAOYSA-N -1 3 287.363 2.583 20 30 CFEDHM O=C(c1cc2n(n1)CCC2)N([O-])Cc1ccccc1Cl ZINC000904193809 621547258 /nfs/dbraw/zinc/54/72/58/621547258.db2.gz VZDQFLOJUDLYRC-UHFFFAOYSA-N -1 3 291.738 2.514 20 30 CFEDHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N([O-])CCCCc1ccccc1 ZINC000904195543 621547347 /nfs/dbraw/zinc/54/73/47/621547347.db2.gz HFGOOXBTSZBPKB-HUUCEWRRSA-N -1 3 299.374 2.754 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)OC[C@H]1CCCCO1 ZINC000904205329 621551065 /nfs/dbraw/zinc/55/10/65/621551065.db2.gz IBJSPGXWBJLSQE-UONOGXRCSA-N -1 3 287.400 2.759 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000904205591 621551296 /nfs/dbraw/zinc/55/12/96/621551296.db2.gz OAWIAKDPLHYBNT-ZDUSSCGKSA-N -1 3 298.427 2.822 20 30 CFEDHM CCCCN([O-])C(=O)[C@](C)(OC)c1ccccc1 ZINC000904211973 621553740 /nfs/dbraw/zinc/55/37/40/621553740.db2.gz IKOUBWSDRKTPBI-CQSZACIVSA-N -1 3 251.326 2.566 20 30 CFEDHM COC(=O)CC1CC(/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000905001149 621679566 /nfs/dbraw/zinc/67/95/66/621679566.db2.gz FISNDTFCCWGFPG-LZYBPNLTSA-N -1 3 281.739 2.806 20 30 CFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000908653203 622255077 /nfs/dbraw/zinc/25/50/77/622255077.db2.gz UFHQSHJXDFYCSZ-AWEZNQCLSA-N -1 3 287.359 2.841 20 30 CFEDHM CC1(C#N)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000833551591 625569485 /nfs/dbraw/zinc/56/94/85/625569485.db2.gz QJDFROOOMRRPCB-ZDUSSCGKSA-N -1 3 276.311 2.577 20 30 CFEDHM CC(C)(C#N)CCCSc1cc(-c2nnn[n-]2)ccn1 ZINC000819891604 622567015 /nfs/dbraw/zinc/56/70/15/622567015.db2.gz CXMKPIHPCHSQAC-UHFFFAOYSA-N -1 3 288.380 2.684 20 30 CFEDHM CC(C)(C#N)CCCSc1cc(-c2nn[n-]n2)ccn1 ZINC000819891604 622567020 /nfs/dbraw/zinc/56/70/20/622567020.db2.gz CXMKPIHPCHSQAC-UHFFFAOYSA-N -1 3 288.380 2.684 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911903340 622578483 /nfs/dbraw/zinc/57/84/83/622578483.db2.gz SHEWRVGVDUVQRY-VIFPVBQESA-N -1 3 298.726 2.803 20 30 CFEDHM N#Cc1cccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000913299831 622870918 /nfs/dbraw/zinc/87/09/18/622870918.db2.gz QZZJVYHZXBOTBY-UHFFFAOYSA-N -1 3 293.282 2.898 20 30 CFEDHM N#Cc1cccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000913299831 622870925 /nfs/dbraw/zinc/87/09/25/622870925.db2.gz QZZJVYHZXBOTBY-UHFFFAOYSA-N -1 3 293.282 2.898 20 30 CFEDHM CC[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000821955882 623012695 /nfs/dbraw/zinc/01/26/95/623012695.db2.gz XYHMSIKVXLEZHL-NSHDSACASA-N -1 3 288.244 2.865 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1ccc(Br)cc1[O-] ZINC000824713281 623550279 /nfs/dbraw/zinc/55/02/79/623550279.db2.gz DWXPHKNJSJCBHE-VIFPVBQESA-N -1 3 283.169 2.889 20 30 CFEDHM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000824990088 623601391 /nfs/dbraw/zinc/60/13/91/623601391.db2.gz CCVUFUJWTRZLKF-CYBMUJFWSA-N -1 3 282.290 2.595 20 30 CFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCCCC#N)n1 ZINC000826262998 623798820 /nfs/dbraw/zinc/79/88/20/623798820.db2.gz HNAJRLADMPUTIB-UHFFFAOYSA-N -1 3 288.380 2.665 20 30 CFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCCCC#N)n1 ZINC000826262998 623798825 /nfs/dbraw/zinc/79/88/25/623798825.db2.gz HNAJRLADMPUTIB-UHFFFAOYSA-N -1 3 288.380 2.665 20 30 CFEDHM CC(=NN[C@H](C)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000835003535 623927596 /nfs/dbraw/zinc/92/75/96/623927596.db2.gz ZFRWZEOZQIYADZ-SSDOTTSWSA-N -1 3 264.222 2.796 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)nc2)nc(C)n1 ZINC000915103032 623982757 /nfs/dbraw/zinc/98/27/57/623982757.db2.gz BPNBRLJBQBYLKG-NSHDSACASA-N -1 3 286.722 2.632 20 30 CFEDHM C#C[C@H](NCc1cccc([O-])c1Cl)C1CCOCC1 ZINC000827555432 624030101 /nfs/dbraw/zinc/03/01/01/624030101.db2.gz UALNYPSVYMNJOH-ZDUSSCGKSA-N -1 3 279.767 2.564 20 30 CFEDHM C[C@]1(C#N)CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827649416 624051822 /nfs/dbraw/zinc/05/18/22/624051822.db2.gz KAABTMMDWOIDTG-CYBMUJFWSA-N -1 3 250.729 2.781 20 30 CFEDHM C#CCCN(CCOC)Cc1c([O-])ccc(Cl)c1F ZINC000827827632 624105056 /nfs/dbraw/zinc/10/50/56/624105056.db2.gz WAKIIJSTLOGITK-UHFFFAOYSA-N -1 3 285.746 2.656 20 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XFFSLGUIJCQGRU-UHFFFAOYSA-N -1 3 294.314 2.960 20 30 CFEDHM Cc1cc(=O)[n-]c(CSc2cccc(C#N)c2)n1 ZINC000761863535 626865953 /nfs/dbraw/zinc/86/59/53/626865953.db2.gz CVASJLQJGTXMST-UHFFFAOYSA-N -1 3 257.318 2.655 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCc2cc(F)ccc2C#N)n1 ZINC000763208653 626970625 /nfs/dbraw/zinc/97/06/25/626970625.db2.gz MEFALAMLMZUJLC-UHFFFAOYSA-N -1 3 289.335 2.935 20 30 CFEDHM C=CCOc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000764435795 627059640 /nfs/dbraw/zinc/05/96/40/627059640.db2.gz PWMSUVPUHNQCGY-FPLPWBNLSA-N -1 3 254.289 2.917 20 30 CFEDHM COc1cc(C=NOCC(F)(F)F)cc(Cl)c1[O-] ZINC000764835721 627099673 /nfs/dbraw/zinc/09/96/73/627099673.db2.gz NQPAVFZYHWDCCO-UHFFFAOYSA-N -1 3 283.633 2.967 20 30 CFEDHM C#C[C@H](CC)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000768058449 627309697 /nfs/dbraw/zinc/30/96/97/627309697.db2.gz HYNLUKRHDFVKOT-SNVBAGLBSA-N -1 3 258.277 2.547 20 30 CFEDHM C#C[C@H](CC)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000768058449 627309700 /nfs/dbraw/zinc/30/97/00/627309700.db2.gz HYNLUKRHDFVKOT-SNVBAGLBSA-N -1 3 258.277 2.547 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)CC(C)C)c1 ZINC000769724448 627470108 /nfs/dbraw/zinc/47/01/08/627470108.db2.gz CATOPHQWVYYTQQ-UHFFFAOYSA-N -1 3 274.364 2.966 20 30 CFEDHM [O-]c1ccc(Br)cc1C=NNCC(F)(F)F ZINC000769821179 627478402 /nfs/dbraw/zinc/47/84/02/627478402.db2.gz IKXJRGKQIBSILS-UHFFFAOYSA-N -1 3 297.074 2.641 20 30 CFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000770365245 627515758 /nfs/dbraw/zinc/51/57/58/627515758.db2.gz YIFWBIVQDYUJMD-QMMMGPOBSA-N -1 3 292.187 2.684 20 30 CFEDHM C#CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000770488122 627525287 /nfs/dbraw/zinc/52/52/87/627525287.db2.gz GNWMUTKJRLXYJK-UHFFFAOYSA-N -1 3 297.310 2.671 20 30 CFEDHM CCC(=O)c1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000771095728 627576388 /nfs/dbraw/zinc/57/63/88/627576388.db2.gz DDSUMAAPLRVXJW-UHFFFAOYSA-N -1 3 298.342 2.931 20 30 CFEDHM CC(=NN[C@H](C)CC#N)c1cc(Cl)ccc1[O-] ZINC000771887045 627642699 /nfs/dbraw/zinc/64/26/99/627642699.db2.gz BYSICTVXXHSUIS-MRVPVSSYSA-N -1 3 251.717 2.661 20 30 CFEDHM CC1(C)CCCC[C@H]1NN=C1c2ccc([O-])cc2NC1=O ZINC000773125678 627785550 /nfs/dbraw/zinc/78/55/50/627785550.db2.gz PYQJBMRHYHRQEC-CYBMUJFWSA-N -1 3 287.363 2.607 20 30 CFEDHM CCC(=NN=c1cc[n-]n1C)c1ccc(OC(F)F)cc1 ZINC000774409713 627921640 /nfs/dbraw/zinc/92/16/40/627921640.db2.gz GKQXOOGLMHPRLC-UHFFFAOYSA-N -1 3 294.305 2.670 20 30 CFEDHM CC(=NN=c1cc[n-]n1C)c1ccc(OC(C)(C)C)cc1 ZINC000774413679 627922402 /nfs/dbraw/zinc/92/24/02/627922402.db2.gz WRMKEDHBKFNAQB-UHFFFAOYSA-N -1 3 286.379 2.855 20 30 CFEDHM CC(C)C(Cc1ccc(F)cc1)=NN=c1cc[n-]n1C ZINC000774414339 627922505 /nfs/dbraw/zinc/92/25/05/627922505.db2.gz YWWUZVQHCBUTMI-UHFFFAOYSA-N -1 3 274.343 2.648 20 30 CFEDHM C[C@@H]1CC(=NOC2CCOCC2)c2c1c(F)ccc2[O-] ZINC000774460981 627929325 /nfs/dbraw/zinc/92/93/25/627929325.db2.gz ZPMVXURLLWSMBM-SECBINFHSA-N -1 3 279.311 2.938 20 30 CFEDHM C#C[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000775381422 628017139 /nfs/dbraw/zinc/01/71/39/628017139.db2.gz IYWDPZTXVLTSIR-CYBMUJFWSA-N -1 3 279.339 2.735 20 30 CFEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778285604 628294902 /nfs/dbraw/zinc/29/49/02/628294902.db2.gz NDUYEYPFUCQADD-UHFFFAOYSA-N -1 3 290.653 2.555 20 30 CFEDHM C=CCOCC/N=C/c1cc(Br)ccc1[O-] ZINC000779706585 628394332 /nfs/dbraw/zinc/39/43/32/628394332.db2.gz IDBOWFAKSLBTQJ-NTEUORMPSA-N -1 3 284.153 2.776 20 30 CFEDHM CC(=NN[C@@H](CO)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000788467657 629071950 /nfs/dbraw/zinc/07/19/50/629071950.db2.gz LIKGXFZLJFNDBY-HNNXBMFYSA-N -1 3 288.322 2.579 20 30 CFEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000791745422 629351498 /nfs/dbraw/zinc/35/14/98/629351498.db2.gz KZDUKLAIERDRSM-LBPRGKRZSA-N -1 3 269.266 2.836 20 30 CFEDHM CCCCCCCC(=O)NCc1ncccc1[O-] ZINC000792614662 629438634 /nfs/dbraw/zinc/43/86/34/629438634.db2.gz WRDPZJROUPLNLB-UHFFFAOYSA-N -1 3 250.342 2.764 20 30 CFEDHM CCC(N=Nc1ncncc1F)c1ccc([O-])c(F)c1 ZINC000793198841 629503436 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ZINC001242474215 781529350 /nfs/dbraw/zinc/52/93/50/781529350.db2.gz JUQZLEODFIBRCL-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM N#Cc1cc(-c2ccc3c(c2)CNC(=O)N3)ccc1[O-] ZINC001242565016 781603649 /nfs/dbraw/zinc/60/36/49/781603649.db2.gz GYMKFHLDFPTXNB-UHFFFAOYSA-N -1 3 265.272 2.566 20 30 CFEDHM N#Cc1cc(-c2ccc(N3CSCC3=O)cc2)ccc1[O-] ZINC001242565329 781604725 /nfs/dbraw/zinc/60/47/25/781604725.db2.gz XNQZIWOIGWPIAF-UHFFFAOYSA-N -1 3 296.351 2.968 20 30 CFEDHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(C#N)c1 ZINC001242592269 781625392 /nfs/dbraw/zinc/62/53/92/781625392.db2.gz XRCJRFSEHQNMJF-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)c(C#N)c1 ZINC001242592269 781625394 /nfs/dbraw/zinc/62/53/94/781625394.db2.gz XRCJRFSEHQNMJF-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM COC(=O)c1ccc(-c2cc([O-])ccc2F)cc1C#N ZINC001242763613 781747307 /nfs/dbraw/zinc/74/73/07/781747307.db2.gz VNRUEEOQVGKRNF-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM CC(=O)NCc1cc(-c2cccc(/C=N/[O-])c2)ccc1F ZINC001242828717 781785066 /nfs/dbraw/zinc/78/50/66/781785066.db2.gz AXMREAWTIZPJTK-DJKKODMXSA-N -1 3 286.306 2.937 20 30 CFEDHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000594812415 349488609 /nfs/dbraw/zinc/48/86/09/349488609.db2.gz DYFWGMRCRAEZLV-JTQLQIEISA-N -1 3 298.383 2.800 20 30 CFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595362965 349610277 /nfs/dbraw/zinc/61/02/77/349610277.db2.gz UWGKDPCKMMGBBK-UHFFFAOYSA-N -1 3 296.779 2.600 20 30 CFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595362310 349610646 /nfs/dbraw/zinc/61/06/46/349610646.db2.gz IWRYIDRISMLDIR-UHFFFAOYSA-N -1 3 296.779 2.600 20 30 CFEDHM CC[C@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000336583534 529586170 /nfs/dbraw/zinc/58/61/70/529586170.db2.gz YQOCOMIDFMYZSY-GFCCVEGCSA-N -1 3 254.289 2.577 20 30 CFEDHM N#Cc1[n-]c(=NCCC[C@@H]2CCCC[C@@H]2O)sc1Cl ZINC000596168247 349815404 /nfs/dbraw/zinc/81/54/04/349815404.db2.gz RYGCKUPINLNOBC-ONGXEEELSA-N -1 3 299.827 2.833 20 30 CFEDHM CCOCCC1(CN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596174579 349817672 /nfs/dbraw/zinc/81/76/72/349817672.db2.gz JDSRBFJPSJZHFA-UHFFFAOYSA-N -1 3 285.800 2.709 20 30 CFEDHM CC(C)OCCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596190897 349822093 /nfs/dbraw/zinc/82/20/93/349822093.db2.gz ZYSIWEXVCKXRBO-UHFFFAOYSA-N -1 3 273.789 2.707 20 30 CFEDHM C[C@H]1C[C@@H](CCN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596192497 349823007 /nfs/dbraw/zinc/82/30/07/349823007.db2.gz GYVMLOMSOXVIKW-IUCAKERBSA-N -1 3 285.800 2.707 20 30 CFEDHM COCC1(CCN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596244297 349838843 /nfs/dbraw/zinc/83/88/43/349838843.db2.gz OCJUYYYGRHPRTF-UHFFFAOYSA-N -1 3 285.800 2.709 20 30 CFEDHM CN(Cc1c(F)ccc([O-])c1F)CC(C)(C)C#N ZINC000354043413 529973899 /nfs/dbraw/zinc/97/38/99/529973899.db2.gz XSMQVMWDENKSDA-UHFFFAOYSA-N -1 3 254.280 2.652 20 30 CFEDHM C[C@]1(CCN=c2[n-]c(C#N)c(Cl)s2)CC1(F)F ZINC000596477922 349913917 /nfs/dbraw/zinc/91/39/17/349913917.db2.gz MGZJUYBNFZTCBU-VIFPVBQESA-N -1 3 277.727 2.937 20 30 CFEDHM Cc1nsc([N-]C(=O)Nc2cc(C3CC3)[nH]n2)c1C#N ZINC000297453058 282439524 /nfs/dbraw/zinc/43/95/24/282439524.db2.gz PJEBGPWJRHAFKN-UHFFFAOYSA-N -1 3 288.336 2.568 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000031854751 346298205 /nfs/dbraw/zinc/29/82/05/346298205.db2.gz JMYOQWBMAZKQMG-ODGVEEGXSA-N -1 3 262.353 2.586 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000563427243 290149733 /nfs/dbraw/zinc/14/97/33/290149733.db2.gz QFBVJJVVAIJAJY-UHFFFAOYSA-N -1 3 275.358 2.817 20 30 CFEDHM Cc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000060851264 346672069 /nfs/dbraw/zinc/67/20/69/346672069.db2.gz JARDCZDLHHPWQM-AWEZNQCLSA-N -1 3 294.358 2.803 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000078266751 347237176 /nfs/dbraw/zinc/23/71/76/347237176.db2.gz OPFGYIKHCDEZLX-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM N#Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128510348 347851840 /nfs/dbraw/zinc/85/18/40/347851840.db2.gz NHYYCQSEMFBLKM-UHFFFAOYSA-N -1 3 284.290 2.974 20 30 CFEDHM O=C(N[O-])C1(Cc2ccc(Cl)cc2)CCCC1 ZINC000671996360 539575509 /nfs/dbraw/zinc/57/55/09/539575509.db2.gz RICZTWIQJGSOCN-UHFFFAOYSA-N -1 3 253.729 2.948 20 30 CFEDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151004511 347958548 /nfs/dbraw/zinc/95/85/48/347958548.db2.gz VHKZEUSITFFKBW-ZWNOBZJWSA-N -1 3 296.367 2.554 20 30 CFEDHM N#C[C@H]1CC[C@H](Sc2n[n-]c(-c3ccccn3)n2)C1 ZINC000278643781 348338896 /nfs/dbraw/zinc/33/88/96/348338896.db2.gz VMDGFXJJPJNZBU-UWVGGRQHSA-N -1 3 271.349 2.651 20 30 CFEDHM C[C@H](CC#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000596791925 349990052 /nfs/dbraw/zinc/99/00/52/349990052.db2.gz FYTQVRFMZVTPDE-SSDOTTSWSA-N -1 3 283.125 2.643 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1C(C)C ZINC000354481115 348501276 /nfs/dbraw/zinc/50/12/76/348501276.db2.gz XTLSVEFRDBOQAB-CQSZACIVSA-N -1 3 282.347 2.966 20 30 CFEDHM Cn1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc1C#N ZINC000414072364 233160161 /nfs/dbraw/zinc/16/01/61/233160161.db2.gz LGWBABAFHXKGOH-AATRIKPKSA-N -1 3 282.347 2.860 20 30 CFEDHM Cn1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)cc1C#N ZINC000414072367 233160793 /nfs/dbraw/zinc/16/07/93/233160793.db2.gz LGWBABAFHXKGOH-WAYWQWQTSA-N -1 3 282.347 2.860 20 30 CFEDHM CCCc1ccc(-c2cc(=NC(=O)[C@H](C#N)CC)[nH][n-]2)cc1 ZINC000593893633 349333225 /nfs/dbraw/zinc/33/32/25/349333225.db2.gz LXLWRTAMRRVQTH-ZDUSSCGKSA-N -1 3 296.374 2.939 20 30 CFEDHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC=CC1 ZINC000594472666 349427749 /nfs/dbraw/zinc/42/77/49/349427749.db2.gz GBMWXSQUOXDTBP-UHFFFAOYSA-N -1 3 296.779 2.599 20 30 CFEDHM N#CC1(CC(=O)N=c2cc3ccccn3[n-]2)CCCCC1 ZINC000597645455 350120346 /nfs/dbraw/zinc/12/03/46/350120346.db2.gz WFQRZZGNWYELRJ-UHFFFAOYSA-N -1 3 282.347 2.559 20 30 CFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc([O-])cc1Cl ZINC000597857070 350143585 /nfs/dbraw/zinc/14/35/85/350143585.db2.gz KHNDBQBRGCVUDN-LBPRGKRZSA-N -1 3 252.701 2.924 20 30 CFEDHM N#CC1(CC(=O)Nc2ccc([O-])cc2Cl)CCOCC1 ZINC000597858948 350144603 /nfs/dbraw/zinc/14/46/03/350144603.db2.gz XFJLAIQTXRATDG-UHFFFAOYSA-N -1 3 294.738 2.695 20 30 CFEDHM C[C@@H](C#N)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000598137823 350208683 /nfs/dbraw/zinc/20/86/83/350208683.db2.gz MYZRZKXXMIUNCI-QMMMGPOBSA-N -1 3 264.712 2.562 20 30 CFEDHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@H](C)C#N ZINC000598358166 350247227 /nfs/dbraw/zinc/24/72/27/350247227.db2.gz MJDYIAUHTSRZLE-LLVKDONJSA-N -1 3 272.348 2.645 20 30 CFEDHM C[C@@]1(C#N)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000598416058 350263579 /nfs/dbraw/zinc/26/35/79/350263579.db2.gz ZBWZOWYZVZHQGE-KRWDZBQOSA-N -1 3 284.359 2.647 20 30 CFEDHM CCCc1nc(C(=O)[N-]c2nc(C)cc(C)c2C#N)co1 ZINC000598859662 350342674 /nfs/dbraw/zinc/34/26/74/350342674.db2.gz XUYVWEBFLHLNTJ-UHFFFAOYSA-N -1 3 284.319 2.763 20 30 CFEDHM C[C@]1(C#N)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000599475826 350443617 /nfs/dbraw/zinc/44/36/17/350443617.db2.gz XNVURJDQSKNJFJ-CYBMUJFWSA-N -1 3 250.729 2.781 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000599527224 350450362 /nfs/dbraw/zinc/45/03/62/350450362.db2.gz IEPAJDFHXZZDRS-BDJLRTHQSA-N -1 3 272.348 2.903 20 30 CFEDHM N#CC1(C(=O)Nc2ccc([O-])cc2F)CC2(CC2)C1 ZINC000601416727 350731869 /nfs/dbraw/zinc/73/18/69/350731869.db2.gz WLWIETOLBFFWBY-UHFFFAOYSA-N -1 3 260.268 2.554 20 30 CFEDHM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c([O-])c1C ZINC000601820052 350785329 /nfs/dbraw/zinc/78/53/29/350785329.db2.gz MNCGZOQJHNEPEG-JSGCOSHPSA-N -1 3 272.348 2.773 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@]2(C#N)CCSC2)c([O-])c1 ZINC000603884853 351189647 /nfs/dbraw/zinc/18/96/47/351189647.db2.gz RLGHLFOOGHPPES-HNNXBMFYSA-N -1 3 290.388 2.645 20 30 CFEDHM CSc1ccncc1[N-]C(=O)c1ccc(C#N)s1 ZINC000610544965 351580325 /nfs/dbraw/zinc/58/03/25/351580325.db2.gz DOBKGYVUTRDJTD-UHFFFAOYSA-N -1 3 275.358 2.989 20 30 CFEDHM CSc1ccncc1[N-]C(=O)c1cc(C#N)cs1 ZINC000610625932 351586651 /nfs/dbraw/zinc/58/66/51/351586651.db2.gz NWBDVCQLACZCAO-UHFFFAOYSA-N -1 3 275.358 2.989 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000611251098 351658263 /nfs/dbraw/zinc/65/82/63/351658263.db2.gz PXRZTTWGGNFTSS-SSDOTTSWSA-N -1 3 288.244 2.911 20 30 CFEDHM N#Cc1ccc(NC([O-])=NOCCC(F)(F)F)cc1 ZINC000122433164 187031748 /nfs/dbraw/zinc/03/17/48/187031748.db2.gz XHLDAFKXBRQKTO-UHFFFAOYSA-N -1 3 273.214 2.564 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000122433164 187031749 /nfs/dbraw/zinc/03/17/49/187031749.db2.gz XHLDAFKXBRQKTO-UHFFFAOYSA-N -1 3 273.214 2.564 20 30 CFEDHM C=CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000271462631 191151917 /nfs/dbraw/zinc/15/19/17/191151917.db2.gz XLXXQPFTZHQDLW-UHFFFAOYSA-N -1 3 268.316 2.731 20 30 CFEDHM C=C(C)[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)OCC ZINC000615137390 352159101 /nfs/dbraw/zinc/15/91/01/352159101.db2.gz HRBLIHRRBSULAX-ZDUSSCGKSA-N -1 3 289.335 2.578 20 30 CFEDHM C=CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H](C)COC ZINC000617583954 352598566 /nfs/dbraw/zinc/59/85/66/352598566.db2.gz SXDCENMDZKQIQC-NSHDSACASA-N -1 3 295.404 2.777 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000617776908 352641092 /nfs/dbraw/zinc/64/10/92/352641092.db2.gz DKPQYHKXVIIGHM-LBPRGKRZSA-N -1 3 277.339 2.889 20 30 CFEDHM Cc1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1[O-] ZINC000618890929 352906293 /nfs/dbraw/zinc/90/62/93/352906293.db2.gz NXCGSDQVLUCORG-MRXNPFEDSA-N -1 3 292.338 2.990 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1[O-] ZINC000620314521 353150940 /nfs/dbraw/zinc/15/09/40/353150940.db2.gz JRJJIVYAIOLIHB-TXEJJXNPSA-N -1 3 273.332 2.724 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000620856933 353241346 /nfs/dbraw/zinc/24/13/46/353241346.db2.gz GLSAKIJBTFEFEU-UHFFFAOYSA-N -1 3 273.336 2.743 20 30 CFEDHM N#Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000155560412 188214145 /nfs/dbraw/zinc/21/41/45/188214145.db2.gz XMQTXJZFPBAEGX-LBPRGKRZSA-N -1 3 295.726 2.791 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000155560412 188214146 /nfs/dbraw/zinc/21/41/46/188214146.db2.gz XMQTXJZFPBAEGX-LBPRGKRZSA-N -1 3 295.726 2.791 20 30 CFEDHM C=CC(C)(C)CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000624465078 353886975 /nfs/dbraw/zinc/88/69/75/353886975.db2.gz CKCFDYULYBGEAE-UHFFFAOYSA-N -1 3 280.343 2.933 20 30 CFEDHM CC[C@@H](NCc1ccn(CC)n1)c1cccc(C#N)c1[O-] ZINC000823588117 781931933 /nfs/dbraw/zinc/93/19/33/781931933.db2.gz YIRPNVCUCYTGOI-OAHLLOKOSA-N -1 3 284.363 2.721 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000628313243 354539387 /nfs/dbraw/zinc/53/93/87/354539387.db2.gz IWSBIZOFULLPSL-UHFFFAOYSA-N -1 3 275.348 2.927 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1cc(OC)ccc1[O-] ZINC000628317660 354542711 /nfs/dbraw/zinc/54/27/11/354542711.db2.gz TXRDULVGPLVFKK-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1[O-] ZINC000428039214 283135066 /nfs/dbraw/zinc/13/50/66/283135066.db2.gz CIFLOBWGFDDZIX-UHFFFAOYSA-N -1 3 296.261 2.532 20 30 CFEDHM N#Cc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000063063806 283204056 /nfs/dbraw/zinc/20/40/56/283204056.db2.gz OSXQSKJSURQJHJ-UHFFFAOYSA-N -1 3 278.311 2.857 20 30 CFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000443502116 241066763 /nfs/dbraw/zinc/06/67/63/241066763.db2.gz VGHLLYMSTJXGAX-LBPRGKRZSA-N -1 3 296.779 2.599 20 30 CFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000443502109 241068131 /nfs/dbraw/zinc/06/81/31/241068131.db2.gz VGHLLYMSTJXGAX-GFCCVEGCSA-N -1 3 296.779 2.599 20 30 CFEDHM CCCn1c(SCc2ccc(C#N)c(C)c2)n[n-]c1=O ZINC000447291984 241361838 /nfs/dbraw/zinc/36/18/38/241361838.db2.gz IMTMEVYUCDBXRY-UHFFFAOYSA-N -1 3 288.376 2.866 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)n1 ZINC000041520130 372846054 /nfs/dbraw/zinc/84/60/54/372846054.db2.gz WHBFIMCSFQPWMQ-SNVBAGLBSA-N -1 3 286.312 2.670 20 30 CFEDHM C=C(C)CN(CC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000042706191 372948384 /nfs/dbraw/zinc/94/83/84/372948384.db2.gz HDYSDUWBLSYQCH-UHFFFAOYSA-N -1 3 270.332 2.566 20 30 CFEDHM COc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2C)c1 ZINC000050212902 373363466 /nfs/dbraw/zinc/36/34/66/373363466.db2.gz MSISTEUAQUUFIM-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000073971173 374397681 /nfs/dbraw/zinc/39/76/81/374397681.db2.gz TVPDHEMHIHTLDA-HNNXBMFYSA-N -1 3 288.310 2.757 20 30 CFEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C(C)(C)C)n1 ZINC000092314513 375101998 /nfs/dbraw/zinc/10/19/98/375101998.db2.gz DPGYSGYHHNMEOE-LLVKDONJSA-N -1 3 282.347 2.603 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(CC)C[C@@H](C)C#N)c1 ZINC000119028897 376338714 /nfs/dbraw/zinc/33/87/14/376338714.db2.gz ZOGQSSSNMQFHRB-NSHDSACASA-N -1 3 260.337 2.576 20 30 CFEDHM C=CCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151635755 378343304 /nfs/dbraw/zinc/34/33/04/378343304.db2.gz XQQNQVHGPXBWDD-UHFFFAOYSA-N -1 3 284.153 2.737 20 30 CFEDHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1csc(=O)[n-]1 ZINC000329917223 378513021 /nfs/dbraw/zinc/51/30/21/378513021.db2.gz QSZKEVFWEJJWFF-LURJTMIESA-N -1 3 281.337 2.562 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2cccc(C#N)c2)c1 ZINC000154396180 378562579 /nfs/dbraw/zinc/56/25/79/378562579.db2.gz ODEFLFWPAFJYDB-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM CC(=O)c1ccc(C(=O)N[C@@H](C)C2CCOCC2)cc1[O-] ZINC000331239012 378655465 /nfs/dbraw/zinc/65/54/65/378655465.db2.gz OGRUXLNYGVVKFN-JTQLQIEISA-N -1 3 291.347 2.715 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000332208278 378735577 /nfs/dbraw/zinc/73/55/77/378735577.db2.gz TYWUUSLXTZKXKL-UHFFFAOYSA-N -1 3 299.334 2.809 20 30 CFEDHM Cc1noc([N-]C(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1C ZINC000266254887 190243608 /nfs/dbraw/zinc/24/36/08/190243608.db2.gz WYEZZNGMWHELNU-LLVKDONJSA-N -1 3 285.303 2.569 20 30 CFEDHM N#Cc1cccc(C2(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000334246357 378976959 /nfs/dbraw/zinc/97/69/59/378976959.db2.gz UMEKRTHYAAFJPY-UHFFFAOYSA-N -1 3 278.311 2.934 20 30 CFEDHM N#Cc1ccccc1C[S@](=O)c1cccc([O-])c1 ZINC000334277348 379021010 /nfs/dbraw/zinc/02/10/10/379021010.db2.gz OJFHSJMSVVZMPH-SFHVURJKSA-N -1 3 257.314 2.572 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000335310570 379058728 /nfs/dbraw/zinc/05/87/28/379058728.db2.gz IQPLDHUWIMTXSG-ZDUSSCGKSA-N -1 3 288.347 2.531 20 30 CFEDHM N#CCCC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000335384107 379198109 /nfs/dbraw/zinc/19/81/09/379198109.db2.gz DDYDWLKVHKCIBG-UHFFFAOYSA-N -1 3 258.321 2.548 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCCOC1 ZINC000171647942 379363092 /nfs/dbraw/zinc/36/30/92/379363092.db2.gz UDJXBJLNKNGRGQ-NGPAHMQLSA-N -1 3 284.153 2.753 20 30 CFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000335493444 379398200 /nfs/dbraw/zinc/39/82/00/379398200.db2.gz DIPPBWPDKPLFBH-DTWKUNHWSA-N -1 3 298.264 2.833 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000335972385 380180481 /nfs/dbraw/zinc/18/04/81/380180481.db2.gz ONMKFEWYUHDGCI-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM CN(CC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179492049 380548568 /nfs/dbraw/zinc/54/85/68/380548568.db2.gz LISRJDBVQLRJNL-UHFFFAOYSA-N -1 3 282.299 2.780 20 30 CFEDHM C[C@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179481834 380548635 /nfs/dbraw/zinc/54/86/35/380548635.db2.gz CFNWBAZGIFAUHT-LLVKDONJSA-N -1 3 282.299 2.826 20 30 CFEDHM Cc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c([O-])c1 ZINC000336613486 380548842 /nfs/dbraw/zinc/54/88/42/380548842.db2.gz JGRCYPAERIGECA-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)/C=C/c1cncc([O-])c1 ZINC000182186348 381014798 /nfs/dbraw/zinc/01/47/98/381014798.db2.gz HHPZYMZYQMAUCJ-ABZNLYFFSA-N -1 3 260.337 2.661 20 30 CFEDHM C=CCCC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CC1 ZINC000411297003 381021418 /nfs/dbraw/zinc/02/14/18/381021418.db2.gz WTCGXEKNRSVDDS-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM C=CCCC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CC1 ZINC000411297003 381021424 /nfs/dbraw/zinc/02/14/24/381021424.db2.gz WTCGXEKNRSVDDS-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM C=CCCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000411297003 381021429 /nfs/dbraw/zinc/02/14/29/381021429.db2.gz WTCGXEKNRSVDDS-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM CC(C)(C(=O)Nc1ncccc1[O-])c1cc(F)cc(C#N)c1 ZINC000354610280 381366377 /nfs/dbraw/zinc/36/63/77/381366377.db2.gz GNZGIXIJUXLLJY-UHFFFAOYSA-N -1 3 299.305 2.714 20 30 CFEDHM N#Cc1ccc(NC([O-])=NOC2CCCC2)cc1F ZINC000290287298 381370341 /nfs/dbraw/zinc/37/03/41/381370341.db2.gz XRYKNRBMAWSPPF-UHFFFAOYSA-N -1 3 263.272 2.693 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1F ZINC000290287298 381370347 /nfs/dbraw/zinc/37/03/47/381370347.db2.gz XRYKNRBMAWSPPF-UHFFFAOYSA-N -1 3 263.272 2.693 20 30 CFEDHM Cc1nsc([N-]C(=O)c2oc(C(C)C)nc2C)c1C#N ZINC000298806220 381753519 /nfs/dbraw/zinc/75/35/19/381753519.db2.gz XKEMFVBDXTUQNX-UHFFFAOYSA-N -1 3 290.348 2.995 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](COC)c1ccc(C)o1 ZINC000293132826 382001316 /nfs/dbraw/zinc/00/13/16/382001316.db2.gz FZJWOVNTEGTAKI-JTQLQIEISA-N -1 3 273.279 2.603 20 30 CFEDHM N#Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000416982639 381980510 /nfs/dbraw/zinc/98/05/10/381980510.db2.gz DWYSYPCVLHRSHS-UHFFFAOYSA-N -1 3 266.304 2.543 20 30 CFEDHM COc1ccc([O-])cc1C(=O)Nc1cccc(C#N)c1 ZINC000187022962 382077625 /nfs/dbraw/zinc/07/76/25/382077625.db2.gz GHJWJWZDTJYRAF-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM C=CCCOCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345805019 382314836 /nfs/dbraw/zinc/31/48/36/382314836.db2.gz BOUVPOQUOVWXMK-UHFFFAOYSA-N -1 3 295.354 2.563 20 30 CFEDHM C=CCOc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345920688 382322941 /nfs/dbraw/zinc/32/29/41/382322941.db2.gz CYMLRKUVCFAUMF-UHFFFAOYSA-N -1 3 284.315 2.913 20 30 CFEDHM C=CCCOCCCCC(=O)Nc1nc(C)ccc1[O-] ZINC000345939089 382324496 /nfs/dbraw/zinc/32/44/96/382324496.db2.gz YQUDICPVBVTAAX-UHFFFAOYSA-N -1 3 278.352 2.797 20 30 CFEDHM Cc1[nH]nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1C ZINC000345380442 382301405 /nfs/dbraw/zinc/30/14/05/382301405.db2.gz RANNUKUZXZVMKB-NSHDSACASA-N -1 3 293.330 2.701 20 30 CFEDHM CC[C@H](CC#N)NCc1cccc([O-])c1Br ZINC000315306401 382527468 /nfs/dbraw/zinc/52/74/68/382527468.db2.gz YZGZPUREXALGGM-SNVBAGLBSA-N -1 3 283.169 2.937 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000353166384 382507852 /nfs/dbraw/zinc/50/78/52/382507852.db2.gz JLYMKPVOLVBBJI-LLVKDONJSA-N -1 3 271.357 2.767 20 30 CFEDHM CCCOc1ccc(/C=N/CCOCC(F)F)c([O-])c1 ZINC000189559753 382624298 /nfs/dbraw/zinc/62/42/98/382624298.db2.gz KYWVYDLBAWATCL-RQZCQDPDSA-N -1 3 287.306 2.882 20 30 CFEDHM CCCCOc1ccc(C(=O)N[C@@H](CC)CC#N)c([O-])c1 ZINC000191028402 382688688 /nfs/dbraw/zinc/68/86/88/382688688.db2.gz LXXZSUBWQDAXNG-LBPRGKRZSA-N -1 3 290.363 2.993 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000193085154 382715548 /nfs/dbraw/zinc/71/55/48/382715548.db2.gz LGGFKKAPGDFGHY-UHFFFAOYSA-N -1 3 263.337 2.916 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OCC)c(OC)c1 ZINC000493709518 382880193 /nfs/dbraw/zinc/88/01/93/382880193.db2.gz RRNRKRWYZDYWHQ-CUZBXDDWSA-N -1 3 291.347 2.729 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(OCC)c(OC)c1 ZINC000493709521 382880528 /nfs/dbraw/zinc/88/05/28/382880528.db2.gz RRNRKRWYZDYWHQ-ZJNQMXKESA-N -1 3 291.347 2.729 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)c2c1CCC2 ZINC000514913823 383156647 /nfs/dbraw/zinc/15/66/47/383156647.db2.gz FOTVBQNEVAJHIV-HNNXBMFYSA-N -1 3 277.327 2.764 20 30 CFEDHM CC(C)Cn1ncc([N-]c2nccc(C#N)n2)c1C(F)F ZINC000450413870 383399421 /nfs/dbraw/zinc/39/94/21/383399421.db2.gz WESDTQNHFFKKQS-UHFFFAOYSA-N -1 3 292.293 2.882 20 30 CFEDHM C=CCC[C@@H](NCc1c(F)ccc([O-])c1F)C(=O)OCC ZINC000449658032 383360079 /nfs/dbraw/zinc/36/00/79/383360079.db2.gz RXDRAXOBXZMZQA-GFCCVEGCSA-N -1 3 299.317 2.658 20 30 CFEDHM N#C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000450094571 383380845 /nfs/dbraw/zinc/38/08/45/383380845.db2.gz VUTWFQDVNSIWGG-CQSZACIVSA-N -1 3 290.338 2.662 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CCC2(CCCC2)O1 ZINC000527309455 383469200 /nfs/dbraw/zinc/46/92/00/383469200.db2.gz ZPINYGATLXLSJV-NSHDSACASA-N -1 3 295.408 2.754 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(F)c3)nc1-2 ZINC000429590215 383551938 /nfs/dbraw/zinc/55/19/38/383551938.db2.gz OSFMXSMOINAIMN-LBPRGKRZSA-N -1 3 294.289 2.896 20 30 CFEDHM C=CCN(C)Cc1cc(Br)ccc1C(=O)[O-] ZINC000570050327 383566312 /nfs/dbraw/zinc/56/63/12/383566312.db2.gz BJLZOMTYGISIPE-UHFFFAOYSA-N -1 3 284.153 2.765 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C#N)cn2)n1 ZINC000488659032 383566732 /nfs/dbraw/zinc/56/67/32/383566732.db2.gz SOQUPQBIZUVYCV-SECBINFHSA-N -1 3 272.333 2.611 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436551002 383836371 /nfs/dbraw/zinc/83/63/71/383836371.db2.gz VRZZANTXMRIGAR-LLVKDONJSA-N -1 3 259.349 2.965 20 30 CFEDHM Cc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)c([O-])c1C ZINC000436602557 383853362 /nfs/dbraw/zinc/85/33/62/383853362.db2.gz KMBZAFFGDXYFHH-SNVBAGLBSA-N -1 3 272.348 2.773 20 30 CFEDHM C=CCSCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436537497 383832617 /nfs/dbraw/zinc/83/26/17/383832617.db2.gz HLVICRVXOKKAIH-UHFFFAOYSA-N -1 3 265.378 2.658 20 30 CFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccccc2[O-])cc1 ZINC000436838795 383897263 /nfs/dbraw/zinc/89/72/63/383897263.db2.gz LMVMPJNKSAGHMM-HNNXBMFYSA-N -1 3 280.327 2.949 20 30 CFEDHM C=CCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436837685 383897707 /nfs/dbraw/zinc/89/77/07/383897707.db2.gz IKZBZYGQXRYBKC-UHFFFAOYSA-N -1 3 275.348 2.754 20 30 CFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc([O-])cc1F ZINC000438284453 383978209 /nfs/dbraw/zinc/97/82/09/383978209.db2.gz UAMUPAPKXJNGRK-AWEZNQCLSA-N -1 3 267.300 2.699 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000280774470 385148908 /nfs/dbraw/zinc/14/89/08/385148908.db2.gz OVRQQOCLIHZRJX-UHFFFAOYSA-N -1 3 290.348 2.762 20 30 CFEDHM C=CCOCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000271004759 385298452 /nfs/dbraw/zinc/29/84/52/385298452.db2.gz YWSBLVDVUAABGI-UHFFFAOYSA-N -1 3 275.348 2.654 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c([O-])c1C ZINC000271223950 385378127 /nfs/dbraw/zinc/37/81/27/385378127.db2.gz DKMPKEBYAHUBDQ-LBPRGKRZSA-N -1 3 260.337 2.677 20 30 CFEDHM CCn1nccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000681352586 542442387 /nfs/dbraw/zinc/44/23/87/542442387.db2.gz WGAHJQVEQJHKLL-ZDUSSCGKSA-N -1 3 290.326 2.941 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000116906070 260006900 /nfs/dbraw/zinc/00/69/00/260006900.db2.gz UCCNMCVGKWJDMG-MRVPVSSYSA-N -1 3 277.748 2.722 20 30 CFEDHM COc1cccc(C(=O)Nc2cccc(C#N)c2C)c1[O-] ZINC000178406532 533420100 /nfs/dbraw/zinc/42/01/00/533420100.db2.gz DMYFWBANUCJZRC-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)c2c([O-])cccc21 ZINC000186307842 393543509 /nfs/dbraw/zinc/54/35/09/393543509.db2.gz GIAUYVJBCAUJRT-SNVBAGLBSA-N -1 3 281.315 2.746 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000336813322 393749536 /nfs/dbraw/zinc/74/95/36/393749536.db2.gz UEPONINHGWNAMC-UHFFFAOYSA-N -1 3 298.795 2.846 20 30 CFEDHM Cc1ccc(C(=O)N2CCC(CC#N)CC2)c([O-])c1C ZINC000335694044 393690282 /nfs/dbraw/zinc/69/02/82/393690282.db2.gz DCDYNGYEIHKUOX-UHFFFAOYSA-N -1 3 272.348 2.775 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1c[n-]c2ccncc2c1=O ZINC000412126167 393763324 /nfs/dbraw/zinc/76/33/24/393763324.db2.gz PALXSQGMWIGABB-UHFFFAOYSA-N -1 3 299.374 2.742 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC000416937875 393946123 /nfs/dbraw/zinc/94/61/23/393946123.db2.gz JVTUTGBIBKKSPA-ZDUSSCGKSA-N -1 3 298.433 2.636 20 30 CFEDHM CCc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1CC ZINC000416967907 393946856 /nfs/dbraw/zinc/94/68/56/393946856.db2.gz XQFBQWDEFRTLLP-LBPRGKRZSA-N -1 3 280.393 2.855 20 30 CFEDHM CCSCc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000416958991 393946932 /nfs/dbraw/zinc/94/69/32/393946932.db2.gz MRZQPETZANWIIE-CYBMUJFWSA-N -1 3 298.433 2.984 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(F)cc(Cl)c1 ZINC000417603762 393982236 /nfs/dbraw/zinc/98/22/36/393982236.db2.gz AHQBARGIMUDMPC-GFCCVEGCSA-N -1 3 271.719 2.988 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccccc1Cl ZINC000417620232 393985002 /nfs/dbraw/zinc/98/50/02/393985002.db2.gz CTLRQUGAUKMXEW-LLVKDONJSA-N -1 3 253.729 2.849 20 30 CFEDHM N#CC(=C([O-])c1cccc(C(F)(F)F)c1)c1ccncn1 ZINC000354480541 394047774 /nfs/dbraw/zinc/04/77/74/394047774.db2.gz XJTUWQBLOVMEPR-NSHDSACASA-N -1 3 291.232 2.985 20 30 CFEDHM C=CCO[N-]C(=O)/C=C/c1c(C)nn(CCCC)c1Cl ZINC000493685602 394308956 /nfs/dbraw/zinc/30/89/56/394308956.db2.gz FGYNQGSQEJKMBA-BQYQJAHWSA-N -1 3 297.786 2.892 20 30 CFEDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157290629 394343728 /nfs/dbraw/zinc/34/37/28/394343728.db2.gz CEHPVEHJCXHOBQ-JOYOIKCWSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000657036219 413293030 /nfs/dbraw/zinc/29/30/30/413293030.db2.gz BLPHEMIMNAIMHS-NEPJUHHUSA-N -1 3 269.366 2.693 20 30 CFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCC#Cc2ccc(F)cc2)n1 ZINC000660751604 413534766 /nfs/dbraw/zinc/53/47/66/413534766.db2.gz OEHZUVJTMKYQTF-UHFFFAOYSA-N -1 3 299.349 2.506 20 30 CFEDHM C=C(C)CCc1noc(-c2cc(OC)ccc2[O-])n1 ZINC000285176685 196214100 /nfs/dbraw/zinc/21/41/00/196214100.db2.gz QSNQWVSPPWPJET-UHFFFAOYSA-N -1 3 260.293 2.960 20 30 CFEDHM C=CCN(Cc1ccccc1F)[C@H](C(=O)[O-])C1CC1 ZINC000652400331 413921644 /nfs/dbraw/zinc/92/16/44/413921644.db2.gz MMABSKXHCKAMDL-AWEZNQCLSA-N -1 3 263.312 2.677 20 30 CFEDHM C=CC[C@@H]1CCCN(Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000661381478 413942040 /nfs/dbraw/zinc/94/20/40/413942040.db2.gz LTOSWBDUCSBKSO-GFCCVEGCSA-N -1 3 261.369 2.533 20 30 CFEDHM C=CC[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385375 413945544 /nfs/dbraw/zinc/94/55/44/413945544.db2.gz NZRGLRZVULMDIL-QWHCGFSZSA-N -1 3 261.369 2.840 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000661419248 413964936 /nfs/dbraw/zinc/96/49/36/413964936.db2.gz NQGMDWPTVFODDF-CHWSQXEVSA-N -1 3 289.379 2.721 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000655634713 414346032 /nfs/dbraw/zinc/34/60/32/414346032.db2.gz HEONKGHTWJYIPB-UHFFFAOYSA-N -1 3 257.355 2.613 20 30 CFEDHM N#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000334844926 225333774 /nfs/dbraw/zinc/33/37/74/225333774.db2.gz XXKJQXWEKBJFLC-CQSZACIVSA-N -1 3 266.300 2.577 20 30 CFEDHM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1ccncn1 ZINC000354468323 227004545 /nfs/dbraw/zinc/00/45/45/227004545.db2.gz LVPLJRVNAKCTPY-LLVKDONJSA-N -1 3 289.241 2.568 20 30 CFEDHM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1ccccn1 ZINC000354864795 227181769 /nfs/dbraw/zinc/18/17/69/227181769.db2.gz ZSCNNPLWIGMNNW-LBPRGKRZSA-N -1 3 281.315 2.821 20 30 CFEDHM COC1(CNC(=O)c2csc(=O)[n-]2)CCC(C)CC1 ZINC000330067139 228031790 /nfs/dbraw/zinc/03/17/90/228031790.db2.gz UFRYQLHWGBXMJA-UHFFFAOYSA-N -1 3 284.381 2.749 20 30 CFEDHM COCc1nc(SCC#Cc2ccc(Cl)cc2)n[n-]1 ZINC000353834967 228157170 /nfs/dbraw/zinc/15/71/70/228157170.db2.gz ZHOGUKSLEMADSH-UHFFFAOYSA-N -1 3 293.779 2.748 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000040360173 260221766 /nfs/dbraw/zinc/22/17/66/260221766.db2.gz YXESENAJAKIHDJ-AWEZNQCLSA-N -1 3 272.348 2.903 20 30 CFEDHM COc1cccc(C(=O)N[C@@H](C#N)C2CCCCC2)c1[O-] ZINC000040360075 260221769 /nfs/dbraw/zinc/22/17/69/260221769.db2.gz WWUWEDIJLKBIFM-ZDUSSCGKSA-N -1 3 288.347 2.603 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000088474986 260232851 /nfs/dbraw/zinc/23/28/51/260232851.db2.gz ZCQAVGBDSAJMEY-JTQLQIEISA-N -1 3 292.282 2.749 20 30 CFEDHM CCOC(=O)N[C@H](C/N=C/c1ccccc1[O-])CC(C)C ZINC000075474259 260290964 /nfs/dbraw/zinc/29/09/64/260290964.db2.gz AEKCADKDLGERMM-FBJMNJBLSA-N -1 3 292.379 2.972 20 30 CFEDHM CN1C[C@@H](/N=C/c2c([O-])ccc3ccccc32)CCC1=O ZINC000078022773 260298813 /nfs/dbraw/zinc/29/88/13/260298813.db2.gz HIOHVSBIJAMOTO-SGPNVBEDSA-N -1 3 282.343 2.585 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)c([O-])c1O ZINC000179536126 261794405 /nfs/dbraw/zinc/79/44/05/261794405.db2.gz WKDVPPPZUCORPK-CYBMUJFWSA-N -1 3 288.347 2.609 20 30 CFEDHM N#CCCN(Cc1cccnc1)Cc1cc([O-])cc(F)c1 ZINC000186156699 262081832 /nfs/dbraw/zinc/08/18/32/262081832.db2.gz MIWOFVDXFXEXJI-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000186511098 262096533 /nfs/dbraw/zinc/09/65/33/262096533.db2.gz NDOUNVAWEGNZRL-UHFFFAOYSA-N -1 3 296.367 2.639 20 30 CFEDHM COc1cc(-c2noc(-c3cccc(C#N)c3)n2)ccc1[O-] ZINC000319925964 262378884 /nfs/dbraw/zinc/37/88/84/262378884.db2.gz UYJMXKUNEGNJML-UHFFFAOYSA-N -1 3 293.282 2.989 20 30 CFEDHM CC(C)C[C@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000271903391 263000192 /nfs/dbraw/zinc/00/01/92/263000192.db2.gz BFZSPQJMILWYBU-OHXOBVGHSA-N -1 3 293.363 2.816 20 30 CFEDHM CC(C)C[C@@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000271903400 263000195 /nfs/dbraw/zinc/00/01/95/263000195.db2.gz BFZSPQJMILWYBU-SSTXIFODSA-N -1 3 293.363 2.816 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)ccc1[O-] ZINC000276614011 263037494 /nfs/dbraw/zinc/03/74/94/263037494.db2.gz JRGDLOUVXNQFMH-SOFGYWHQSA-N -1 3 285.347 2.943 20 30 CFEDHM COc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c([O-])c1 ZINC000277930233 263044676 /nfs/dbraw/zinc/04/46/76/263044676.db2.gz NRPBLXBEOLTPHV-AWEZNQCLSA-N -1 3 288.347 2.555 20 30 CFEDHM CC1(C)CCCN(C(=O)c2ccccc2[O-])[C@@H]1C#N ZINC000278053017 263045236 /nfs/dbraw/zinc/04/52/36/263045236.db2.gz VVQRAFNSSWFNJB-CYBMUJFWSA-N -1 3 258.321 2.547 20 30 CFEDHM N#CC1(CCC[S@@](=O)c2cccc([O-])c2)CCOCC1 ZINC000281061889 263066344 /nfs/dbraw/zinc/06/63/44/263066344.db2.gz RSDQKUWELVLHQY-HXUWFJFHSA-N -1 3 293.388 2.600 20 30 CFEDHM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000290007951 263113881 /nfs/dbraw/zinc/11/38/81/263113881.db2.gz VTEUSEWLTLNIFX-GFCCVEGCSA-N -1 3 284.331 2.540 20 30 CFEDHM N#C[C@]1(C(=O)NCc2ccc([O-])c(F)c2)CC12CCCC2 ZINC000294797416 263167690 /nfs/dbraw/zinc/16/76/90/263167690.db2.gz BEGIUFNXXWBEBC-INIZCTEOSA-N -1 3 288.322 2.622 20 30 CFEDHM CCOc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298760407 263225345 /nfs/dbraw/zinc/22/53/45/263225345.db2.gz CKJOSOBPCIEWOM-GIJQJNRQSA-N -1 3 286.331 2.737 20 30 CFEDHM CCCOc1ccc(/C=N/CCC(=O)OCC)c([O-])c1 ZINC000299271390 263237426 /nfs/dbraw/zinc/23/74/26/263237426.db2.gz UBRIRBNQMMKZQJ-LFIBNONCSA-N -1 3 279.336 2.553 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000340920090 263315437 /nfs/dbraw/zinc/31/54/37/263315437.db2.gz KFMCLWKZHPONFY-JTQLQIEISA-N -1 3 294.401 2.663 20 30 CFEDHM CCSCc1cccc([N-]S(=O)(=O)[C@H](C#N)CC)c1 ZINC000416946047 263770738 /nfs/dbraw/zinc/77/07/38/263770738.db2.gz FVQKEZODVMPMNM-ZDUSSCGKSA-N -1 3 298.433 2.984 20 30 CFEDHM Cc1cccc(C(=O)N[C@H](C)C[C@H]2CCCO2)c1[O-] ZINC000331227249 264150503 /nfs/dbraw/zinc/15/05/03/264150503.db2.gz DLPVLNJRLNOSRK-VXGBXAGGSA-N -1 3 263.337 2.963 20 30 CFEDHM CCc1nc(C(C)(C)NC(=O)c2ccc(C)cc2[O-])no1 ZINC000331276907 264170424 /nfs/dbraw/zinc/17/04/24/264170424.db2.gz RGRORPDFCBNKMA-UHFFFAOYSA-N -1 3 289.335 2.886 20 30 CFEDHM CCCN1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000331234827 264174696 /nfs/dbraw/zinc/17/46/96/264174696.db2.gz KSJZZMFQPXPAMS-NSHDSACASA-N -1 3 280.343 2.710 20 30 CFEDHM CCc1ccc(C(=O)N[C@@]2(C)CCCOC2)c([O-])c1 ZINC000331246901 264179356 /nfs/dbraw/zinc/17/93/56/264179356.db2.gz VNOONXOVGDXYLK-HNNXBMFYSA-N -1 3 263.337 2.828 20 30 CFEDHM CC[C@H](NC(=O)c1ccccc1[O-])C1CCOCC1 ZINC000331251471 264181164 /nfs/dbraw/zinc/18/11/64/264181164.db2.gz ZYYYLBUKPMSHJR-ZDUSSCGKSA-N -1 3 263.337 2.902 20 30 CFEDHM COc1cccc(C(=O)N[C@@H](C(C)C)C(C)(C)O)c1[O-] ZINC000331250856 264181223 /nfs/dbraw/zinc/18/12/23/264181223.db2.gz WVMNCDOEQMCDKK-ZDUSSCGKSA-N -1 3 281.352 2.501 20 30 CFEDHM C#CCCCCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000130524265 264355584 /nfs/dbraw/zinc/35/55/84/264355584.db2.gz FRXZGTLIXXJALT-UHFFFAOYSA-N -1 3 296.374 2.610 20 30 CFEDHM Cc1cn2cc(C([O-])=C(C#N)c3ccccn3)sc2n1 ZINC000356173641 266062440 /nfs/dbraw/zinc/06/24/40/266062440.db2.gz XWBXULWOCGULNJ-SNVBAGLBSA-N -1 3 282.328 2.589 20 30 CFEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192378022 270231417 /nfs/dbraw/zinc/23/14/17/270231417.db2.gz MVBNCHAVQJEZGE-UHFFFAOYSA-N -1 3 277.205 2.623 20 30 CFEDHM C=CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1OC ZINC000742221762 782041688 /nfs/dbraw/zinc/04/16/88/782041688.db2.gz RYFNNMYRBXBXQC-ALCCZGGFSA-N -1 3 284.315 2.926 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)(C)C ZINC000443077571 288056108 /nfs/dbraw/zinc/05/61/08/288056108.db2.gz LWQUXJLRRZXCLL-ZDUSSCGKSA-N -1 3 298.383 2.800 20 30 CFEDHM N#Cc1c([N-]C(=O)c2cocn2)sc2c1CCCC2 ZINC000264440869 279498451 /nfs/dbraw/zinc/49/84/51/279498451.db2.gz SZAVKORJUYYGAX-UHFFFAOYSA-N -1 3 273.317 2.739 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000124625200 280640101 /nfs/dbraw/zinc/64/01/01/280640101.db2.gz FFSLORFUDNZRCP-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM Cc1cc([N-]c2nc(C)cc(C#N)n2)nn1C1CCCCC1 ZINC000565513344 290306081 /nfs/dbraw/zinc/30/60/81/290306081.db2.gz GSIIUYWVUCCXEF-UHFFFAOYSA-N -1 3 296.378 2.832 20 30 CFEDHM CSc1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000112483802 327961962 /nfs/dbraw/zinc/96/19/62/327961962.db2.gz HFKQOLAYEGXOHE-SECBINFHSA-N -1 3 258.302 2.887 20 30 CFEDHM CCc1oc(C([O-])=C(C#N)c2ccccn2)cc1C(=O)OC ZINC000338626922 327986760 /nfs/dbraw/zinc/98/67/60/327986760.db2.gz OZULUMYNPUIFEX-NSHDSACASA-N -1 3 298.298 2.514 20 30 CFEDHM Cc1cnc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000267334608 328177364 /nfs/dbraw/zinc/17/73/64/328177364.db2.gz IKNOVZMLYSCUQV-JIURPICXSA-N -1 3 291.376 2.533 20 30 CFEDHM CC(C)c1ccc(C(=O)N(CC#N)C2CC2)c([O-])c1 ZINC000271194734 328195969 /nfs/dbraw/zinc/19/59/69/328195969.db2.gz AMFOZWMFLHOSHT-UHFFFAOYSA-N -1 3 258.321 2.644 20 30 CFEDHM CC(C)O[C@@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000274200833 328209629 /nfs/dbraw/zinc/20/96/29/328209629.db2.gz MXBXJANOLJPTKJ-ZTJLBNCBSA-N -1 3 293.363 2.814 20 30 CFEDHM Cc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1[O-] ZINC000278069732 328223109 /nfs/dbraw/zinc/22/31/09/328223109.db2.gz XBQPCBGRGABIKK-ZDUSSCGKSA-N -1 3 272.348 2.855 20 30 CFEDHM Cc1cccc(CCC/N=C/c2ccc(O)c([O-])c2O)n1 ZINC000284916289 328246878 /nfs/dbraw/zinc/24/68/78/328246878.db2.gz BJNSCYSVSYDIDZ-LICLKQGHSA-N -1 3 286.331 2.559 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/[C@@H](C2CC2)C(F)(F)F)c1O ZINC000287343956 328251095 /nfs/dbraw/zinc/25/10/95/328251095.db2.gz XBPUEAYCKGDLHU-MYZIAMLESA-N -1 3 275.226 2.563 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1ncc(C#N)cc1C ZINC000570949398 322561016 /nfs/dbraw/zinc/56/10/16/322561016.db2.gz BREGGFOOTOWPRZ-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM Cc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)ccc1C#N ZINC000175315314 323662490 /nfs/dbraw/zinc/66/24/90/323662490.db2.gz ZDPLITJAXPOIKP-UHFFFAOYSA-N -1 3 291.232 2.931 20 30 CFEDHM N#Cc1ccsc1C(=O)Nc1ccc([O-])cc1F ZINC000183283722 323910089 /nfs/dbraw/zinc/91/00/89/323910089.db2.gz UKHYFDBSYOWJHI-UHFFFAOYSA-N -1 3 262.265 2.717 20 30 CFEDHM N#Cc1ccc(OCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000350577147 324235723 /nfs/dbraw/zinc/23/57/23/324235723.db2.gz KPJAFWPIAJGOFG-UHFFFAOYSA-N -1 3 293.282 2.893 20 30 CFEDHM CCOc1cc(-c2noc(-c3ccc(C#N)[nH]3)n2)ccc1[O-] ZINC000350796917 324258682 /nfs/dbraw/zinc/25/86/82/324258682.db2.gz WBPIAOBRONPCGJ-UHFFFAOYSA-N -1 3 296.286 2.708 20 30 CFEDHM COc1ccc(C)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000559252997 327150580 /nfs/dbraw/zinc/15/05/80/327150580.db2.gz SDFLYQMCDNYCTF-UHFFFAOYSA-N -1 3 296.392 2.685 20 30 CFEDHM C=CC[C@H]1N(C(=O)Cc2cncc([O-])c2)CCCC1(C)C ZINC000574889808 327207906 /nfs/dbraw/zinc/20/79/06/327207906.db2.gz GGFUPWYYNYASNL-OAHLLOKOSA-N -1 3 288.391 2.923 20 30 CFEDHM O=C(C/N=C/c1c([O-])ccc2ccccc21)OCC1CC1 ZINC000101799716 327222764 /nfs/dbraw/zinc/22/27/64/327222764.db2.gz JESQGOXFDVRRRR-GIJQJNRQSA-N -1 3 283.327 2.918 20 30 CFEDHM CCO[C@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)C12CCC2 ZINC000125182064 327390845 /nfs/dbraw/zinc/39/08/45/327390845.db2.gz DLCDRZHBPJPNMF-OAMQDSFOSA-N -1 3 291.347 2.570 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000152722892 327412923 /nfs/dbraw/zinc/41/29/23/327412923.db2.gz AKZAHMFUFWZTTM-ZETCQYMHSA-N -1 3 280.176 2.846 20 30 CFEDHM Cc1cccc(C(=O)N2CCC(CCC#N)CC2)c1[O-] 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/nfs/dbraw/zinc/14/53/03/574145303.db2.gz NCTJUPOYXDRQCU-MRXNPFEDSA-N -1 3 296.326 2.522 20 30 CFEDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494367 574145306 /nfs/dbraw/zinc/14/53/06/574145306.db2.gz NCTJUPOYXDRQCU-MRXNPFEDSA-N -1 3 296.326 2.522 20 30 CFEDHM C=C(Cl)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000755371530 574157478 /nfs/dbraw/zinc/15/74/78/574157478.db2.gz NPAJWWSCNZPVJJ-UHFFFAOYSA-N -1 3 265.740 2.753 20 30 CFEDHM O=[N+]([O-])c1ccccc1NN=Cc1ccc([O-])c(F)c1 ZINC000755464792 574163819 /nfs/dbraw/zinc/16/38/19/574163819.db2.gz BRKMTPVPWBVFFP-UHFFFAOYSA-N -1 3 275.239 2.886 20 30 CFEDHM O=[N+]([O-])c1ccccc1N=NCc1ccc([O-])c(F)c1 ZINC000755464792 574163822 /nfs/dbraw/zinc/16/38/22/574163822.db2.gz BRKMTPVPWBVFFP-UHFFFAOYSA-N -1 3 275.239 2.886 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNCc1cc(F)ccc1F ZINC000755651684 574175188 /nfs/dbraw/zinc/17/51/88/574175188.db2.gz XKQZHNNQCRRXHE-UHFFFAOYSA-N -1 3 280.249 2.933 20 30 CFEDHM [O-]c1ccc(C=NNCCCOc2ccccc2)cc1F ZINC000755696484 574178481 /nfs/dbraw/zinc/17/84/81/574178481.db2.gz PCSXEJHCVPIKEM-UHFFFAOYSA-N -1 3 288.322 2.924 20 30 CFEDHM CC(N=Nc1nccnc1Cl)c1cc(F)ccc1[O-] ZINC000733078899 574186409 /nfs/dbraw/zinc/18/64/09/574186409.db2.gz NCJXCKMFNUPIKW-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM [O-]c1ccc(C=NNCc2ccc(Cl)cc2)nc1 ZINC000755774570 574186731 /nfs/dbraw/zinc/18/67/31/574186731.db2.gz TWYSXFMVLASAJR-UHFFFAOYSA-N -1 3 261.712 2.564 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NOCc1cccnc1 ZINC000755801130 574188420 /nfs/dbraw/zinc/18/84/20/574188420.db2.gz HMMORTKVWGOIBO-UHFFFAOYSA-N -1 3 262.696 2.991 20 30 CFEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000739075699 574196547 /nfs/dbraw/zinc/19/65/47/574196547.db2.gz UZCJERGGLIECPW-AWEZNQCLSA-N -1 3 294.310 2.589 20 30 CFEDHM Cc1ccc(N=NCc2cc(Cl)ccc2[O-])nn1 ZINC000729936497 574239035 /nfs/dbraw/zinc/23/90/35/574239035.db2.gz SMUFPSLWLDRCLL-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM CCOc1ccc(/C=N/Cc2ccn(C)c2)c([O-])c1 ZINC000748285576 574245260 /nfs/dbraw/zinc/24/52/60/574245260.db2.gz KWITWICOUAFBNG-MHWRWJLKSA-N -1 3 258.321 2.749 20 30 CFEDHM CCCNN=C(C)c1ccc(Br)cc1[O-] ZINC000756825976 574265762 /nfs/dbraw/zinc/26/57/62/574265762.db2.gz RFMKRZYFEMXOSW-UHFFFAOYSA-N -1 3 271.158 2.878 20 30 CFEDHM CC[C@@H]1CCC[C@@H](/N=C\c2c([O-])c(C)ncc2CO)C1 ZINC000740763169 574266070 /nfs/dbraw/zinc/26/60/70/574266070.db2.gz AREWCDFBTADJCG-CYZNHEFTSA-N -1 3 276.380 2.976 20 30 CFEDHM C=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)OCC ZINC000734029502 574270105 /nfs/dbraw/zinc/27/01/05/574270105.db2.gz VIJRLGNNLCDLQP-UHFFFAOYSA-N -1 3 292.118 2.598 20 30 CFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccsc1 ZINC000749105851 574279782 /nfs/dbraw/zinc/27/97/82/574279782.db2.gz YYVKVAYHAPPLRS-UHFFFAOYSA-N -1 3 294.401 2.592 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741166122 574282567 /nfs/dbraw/zinc/28/25/67/574282567.db2.gz WEMOICYLXHMTBQ-SPMPPBRWSA-N -1 3 275.348 2.633 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@@]2(C)c2ccccc2)c1[O-] ZINC000741464694 574291599 /nfs/dbraw/zinc/29/15/99/574291599.db2.gz QMOIENIIEZNHAI-PRNVQXPESA-N -1 3 296.370 2.737 20 30 CFEDHM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(O)cc(O)c1 ZINC000755600147 574303588 /nfs/dbraw/zinc/30/35/88/574303588.db2.gz XKZACGWMPGAOCS-IWQZZHSRSA-N -1 3 274.247 2.839 20 30 CFEDHM C=CCCNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735413176 574322865 /nfs/dbraw/zinc/32/28/65/574322865.db2.gz PGRNGVNUSUDOQG-UHFFFAOYSA-N -1 3 273.340 2.642 20 30 CFEDHM C=CCCNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735413176 574322866 /nfs/dbraw/zinc/32/28/66/574322866.db2.gz PGRNGVNUSUDOQG-UHFFFAOYSA-N -1 3 273.340 2.642 20 30 CFEDHM C=C(C)CN(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735399040 574323467 /nfs/dbraw/zinc/32/34/67/574323467.db2.gz ODYOGEZQGCPCSC-UHFFFAOYSA-N -1 3 271.368 2.905 20 30 CFEDHM C=C(C)CN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399040 574323468 /nfs/dbraw/zinc/32/34/68/574323468.db2.gz ODYOGEZQGCPCSC-UHFFFAOYSA-N -1 3 271.368 2.905 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735409337 574323620 /nfs/dbraw/zinc/32/36/20/574323620.db2.gz ZYRSKCSEGPCPDC-UHFFFAOYSA-N -1 3 299.378 2.685 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735409337 574323622 /nfs/dbraw/zinc/32/36/22/574323622.db2.gz ZYRSKCSEGPCPDC-UHFFFAOYSA-N -1 3 299.378 2.685 20 30 CFEDHM C=CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735408140 574323850 /nfs/dbraw/zinc/32/38/50/574323850.db2.gz GMRDYMRIVKXXRI-UHFFFAOYSA-N -1 3 299.378 2.570 20 30 CFEDHM C=CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735408140 574323851 /nfs/dbraw/zinc/32/38/51/574323851.db2.gz GMRDYMRIVKXXRI-UHFFFAOYSA-N -1 3 299.378 2.570 20 30 CFEDHM C=C(Cl)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735401938 574323867 /nfs/dbraw/zinc/32/38/67/574323867.db2.gz AHACXGGDIBDZDL-UHFFFAOYSA-N -1 3 270.720 2.850 20 30 CFEDHM C=C(Cl)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735401938 574323868 /nfs/dbraw/zinc/32/38/68/574323868.db2.gz AHACXGGDIBDZDL-UHFFFAOYSA-N -1 3 270.720 2.850 20 30 CFEDHM C=CCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000735417125 574324731 /nfs/dbraw/zinc/32/47/31/574324731.db2.gz ZGOVNOZOZGDICC-UHFFFAOYSA-N -1 3 287.392 2.727 20 30 CFEDHM C=CCCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000735417125 574324732 /nfs/dbraw/zinc/32/47/32/574324732.db2.gz ZGOVNOZOZGDICC-UHFFFAOYSA-N -1 3 287.392 2.727 20 30 CFEDHM C=CCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735416749 574324773 /nfs/dbraw/zinc/32/47/73/574324773.db2.gz QDQPVUMGXGDMOP-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735416749 574324774 /nfs/dbraw/zinc/32/47/74/574324774.db2.gz QDQPVUMGXGDMOP-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C[C@@H]1CC(N=Nc2cccnn2)c2c1c(F)ccc2[O-] ZINC000735973884 574345925 /nfs/dbraw/zinc/34/59/25/574345925.db2.gz VUEMCXJUHSGPBS-MRVPVSSYSA-N -1 3 272.283 2.645 20 30 CFEDHM COc1cc(C=NO[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000755820208 574348495 /nfs/dbraw/zinc/34/84/95/574348495.db2.gz IHGRHXPVTXEXOF-LBPRGKRZSA-N -1 3 285.727 2.931 20 30 CFEDHM C=CC1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC1 ZINC000736096013 574351079 /nfs/dbraw/zinc/35/10/79/574351079.db2.gz FHKNQGBNKWNLCQ-UHFFFAOYSA-N -1 3 285.347 2.590 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2CC(c3ccccc3F)C2)n1 ZINC000743419168 574363514 /nfs/dbraw/zinc/36/35/14/574363514.db2.gz OMNDXLFMWWQOBA-UHFFFAOYSA-N -1 3 286.310 2.975 20 30 CFEDHM CC(C)C(=N[N-]S(=O)(=O)Cc1ccccc1)C1CC1 ZINC000750935510 574363626 /nfs/dbraw/zinc/36/36/26/574363626.db2.gz BCTIKFMXMRJGPN-UHFFFAOYSA-N -1 3 280.393 2.528 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000743501933 574367299 /nfs/dbraw/zinc/36/72/99/574367299.db2.gz TTXWDAJSXADFFN-GXBAXFRPSA-N -1 3 295.342 2.640 20 30 CFEDHM COc1cccc([O-])c1/C=N\CC(C)(C)SC ZINC000743503032 574367311 /nfs/dbraw/zinc/36/73/11/574367311.db2.gz ORMHZDXQLJJXGS-ZSOIEALJSA-N -1 3 253.367 2.961 20 30 CFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(C)C ZINC000304191701 617611678 /nfs/dbraw/zinc/61/16/78/617611678.db2.gz VHHKHORWFKDEDC-VIFPVBQESA-N -1 3 291.825 2.646 20 30 CFEDHM CCc1ncsc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094822 620637130 /nfs/dbraw/zinc/63/71/30/620637130.db2.gz SERYNQALCZPSNP-UHFFFAOYSA-N -1 3 280.324 2.876 20 30 CFEDHM O=C(c1ccsc1)N([O-])Cc1ccc(F)cc1 ZINC000900096113 620637444 /nfs/dbraw/zinc/63/74/44/620637444.db2.gz SGUCHDHNECYQSK-UHFFFAOYSA-N -1 3 251.282 2.919 20 30 CFEDHM Cn1nc(C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc21 ZINC000900096176 620637684 /nfs/dbraw/zinc/63/76/84/620637684.db2.gz URZDKVKAUIDUAU-UHFFFAOYSA-N -1 3 299.305 2.744 20 30 CFEDHM C#CCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000819706309 598194138 /nfs/dbraw/zinc/19/41/38/598194138.db2.gz VXWPHQSAAKPHFB-UHFFFAOYSA-N -1 3 295.338 2.687 20 30 CFEDHM C#C[C@H](C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000935462660 649910480 /nfs/dbraw/zinc/91/04/80/649910480.db2.gz KLJKZPMWLXQEMZ-QMMMGPOBSA-N -1 3 287.693 2.578 20 30 CFEDHM C=CCC(CC=C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823888057 607439797 /nfs/dbraw/zinc/43/97/97/607439797.db2.gz DRPCBABLWZVCIL-UHFFFAOYSA-N -1 3 297.362 2.598 20 30 CFEDHM C=CCC(CC=C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823888057 607439799 /nfs/dbraw/zinc/43/97/99/607439799.db2.gz DRPCBABLWZVCIL-UHFFFAOYSA-N -1 3 297.362 2.598 20 30 CFEDHM Cc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822258732 606202288 /nfs/dbraw/zinc/20/22/88/606202288.db2.gz BENIIPCPXRYHSI-UHFFFAOYSA-N -1 3 284.348 2.683 20 30 CFEDHM Cc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822258732 606202290 /nfs/dbraw/zinc/20/22/90/606202290.db2.gz BENIIPCPXRYHSI-UHFFFAOYSA-N -1 3 284.348 2.683 20 30 CFEDHM Cc1ccc(C)c(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822231739 606204021 /nfs/dbraw/zinc/20/40/21/606204021.db2.gz FTWRGVURWAYQHH-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM Cc1ccc(C)c(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822231739 606204022 /nfs/dbraw/zinc/20/40/22/606204022.db2.gz FTWRGVURWAYQHH-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM CC(CC1CCC1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820232966 606917159 /nfs/dbraw/zinc/91/71/59/606917159.db2.gz IQFIGSSXBGLQDJ-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC(CC1CCC1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820232966 606917160 /nfs/dbraw/zinc/91/71/60/606917160.db2.gz IQFIGSSXBGLQDJ-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820971996 606917299 /nfs/dbraw/zinc/91/72/99/606917299.db2.gz JGGZOEUWWNNGHX-SNVBAGLBSA-N -1 3 270.340 2.845 20 30 CFEDHM CC[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820971996 606917301 /nfs/dbraw/zinc/91/73/01/606917301.db2.gz JGGZOEUWWNNGHX-SNVBAGLBSA-N -1 3 270.340 2.845 20 30 CFEDHM C=CCC(CC=C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000819734467 606951274 /nfs/dbraw/zinc/95/12/74/606951274.db2.gz OJZQTEMYABNJLF-UHFFFAOYSA-N -1 3 298.346 2.678 20 30 CFEDHM C=CCC(CC=C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000819734467 606951276 /nfs/dbraw/zinc/95/12/76/606951276.db2.gz OJZQTEMYABNJLF-UHFFFAOYSA-N -1 3 298.346 2.678 20 30 CFEDHM C=C[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819729817 607174476 /nfs/dbraw/zinc/17/44/76/607174476.db2.gz NERLSPQOSHGVHL-ZETCQYMHSA-N -1 3 283.257 2.872 20 30 CFEDHM C=C[C@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819729817 607174477 /nfs/dbraw/zinc/17/44/77/607174477.db2.gz NERLSPQOSHGVHL-ZETCQYMHSA-N -1 3 283.257 2.872 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822379070 607252113 /nfs/dbraw/zinc/25/21/13/607252113.db2.gz JUOHOTMLOJSRLU-NSCUHMNNSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822379070 607252114 /nfs/dbraw/zinc/25/21/14/607252114.db2.gz JUOHOTMLOJSRLU-NSCUHMNNSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822379948 607252274 /nfs/dbraw/zinc/25/22/74/607252274.db2.gz WSUAQMYTSVFMAQ-DUXPYHPUSA-N -1 3 286.316 2.726 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826402418 607884103 /nfs/dbraw/zinc/88/41/03/607884103.db2.gz UBNZSJQCEIUMEV-CMDGGOBGSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000826402418 607884104 /nfs/dbraw/zinc/88/41/04/607884104.db2.gz UBNZSJQCEIUMEV-CMDGGOBGSA-N -1 3 294.289 2.902 20 30 CFEDHM CCC[C@H](C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825233987 607885875 /nfs/dbraw/zinc/88/58/75/607885875.db2.gz UIWFWCXTXWOYOC-JTQLQIEISA-N -1 3 258.329 2.701 20 30 CFEDHM CCC[C@H](C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825233987 607885876 /nfs/dbraw/zinc/88/58/76/607885876.db2.gz UIWFWCXTXWOYOC-JTQLQIEISA-N -1 3 258.329 2.701 20 30 CFEDHM C=C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000823882829 608051165 /nfs/dbraw/zinc/05/11/65/608051165.db2.gz DRCLPGKTMOPZFH-ZETCQYMHSA-N -1 3 294.156 2.616 20 30 CFEDHM C[C@H](C#N)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824034191 608205470 /nfs/dbraw/zinc/20/54/70/608205470.db2.gz HUOHVKNDCSMINJ-ZCFIWIBFSA-N -1 3 265.729 2.524 20 30 CFEDHM C[C@H](C#N)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824034191 608205471 /nfs/dbraw/zinc/20/54/71/608205471.db2.gz HUOHVKNDCSMINJ-ZCFIWIBFSA-N -1 3 265.729 2.524 20 30 CFEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C(C)C ZINC000825028667 608535550 /nfs/dbraw/zinc/53/55/50/608535550.db2.gz JRHOAOWWVFGJOS-UHFFFAOYSA-N -1 3 293.762 2.749 20 30 CFEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C(C)C ZINC000825028667 608535551 /nfs/dbraw/zinc/53/55/51/608535551.db2.gz JRHOAOWWVFGJOS-UHFFFAOYSA-N -1 3 293.762 2.749 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cc(C(F)F)n(C)n1 ZINC000900677728 620701176 /nfs/dbraw/zinc/70/11/76/620701176.db2.gz CVIINGOQDSMXNB-UHFFFAOYSA-N -1 3 275.299 2.769 20 30 CFEDHM C=C(C)CN(C)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823878226 609317481 /nfs/dbraw/zinc/31/74/81/609317481.db2.gz SZQRSGDWQKIQFG-UHFFFAOYSA-N -1 3 297.284 2.898 20 30 CFEDHM C[C@@H](Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737044 609382672 /nfs/dbraw/zinc/38/26/72/609382672.db2.gz BKXOHXGYMSCOFN-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H](Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737044 609382674 /nfs/dbraw/zinc/38/26/74/609382674.db2.gz BKXOHXGYMSCOFN-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H]1C[C@@H](C)CCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824899300 609468630 /nfs/dbraw/zinc/46/86/30/609468630.db2.gz IWRGWIJXBGQZFR-NWDGAFQWSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1C[C@@H](C)CCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824899300 609468632 /nfs/dbraw/zinc/46/86/32/609468632.db2.gz IWRGWIJXBGQZFR-NWDGAFQWSA-N -1 3 298.394 2.768 20 30 CFEDHM Clc1cc(NN=Cc2ccco2)ccc1-c1nnn[n-]1 ZINC000826351197 609474318 /nfs/dbraw/zinc/47/43/18/609474318.db2.gz BURRQJKLQOJNDF-UHFFFAOYSA-N -1 3 288.698 2.559 20 30 CFEDHM Clc1cc(NN=Cc2ccco2)ccc1-c1nn[n-]n1 ZINC000826351197 609474321 /nfs/dbraw/zinc/47/43/21/609474321.db2.gz BURRQJKLQOJNDF-UHFFFAOYSA-N -1 3 288.698 2.559 20 30 CFEDHM CC[C@@H]1CCCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825191947 609517080 /nfs/dbraw/zinc/51/70/80/609517080.db2.gz DTMFJNPPTKRTKV-CYBMUJFWSA-N -1 3 298.394 2.913 20 30 CFEDHM CC[C@@H]1CCCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825191947 609517082 /nfs/dbraw/zinc/51/70/82/609517082.db2.gz DTMFJNPPTKRTKV-CYBMUJFWSA-N -1 3 298.394 2.913 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2c(Cl)cnn2C)ccc1[O-] 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CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc([O-])c(F)c1 ZINC000901309913 620781979 /nfs/dbraw/zinc/78/19/79/620781979.db2.gz GNUXZYRAEXSSTG-NXEZZACHSA-N -1 3 280.343 2.801 20 30 CFEDHM CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc([O-])cc1F ZINC000901311622 620783200 /nfs/dbraw/zinc/78/32/00/620783200.db2.gz VPORQECCZFGVDX-NXEZZACHSA-N -1 3 280.343 2.801 20 30 CFEDHM C#C[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C1CC1 ZINC000179539172 618325001 /nfs/dbraw/zinc/32/50/01/618325001.db2.gz VODIOQXMFYJEBN-CYBMUJFWSA-N -1 3 270.288 2.547 20 30 CFEDHM C#C[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C1CC1 ZINC000179539172 618325008 /nfs/dbraw/zinc/32/50/08/618325008.db2.gz VODIOQXMFYJEBN-CYBMUJFWSA-N -1 3 270.288 2.547 20 30 CFEDHM O=C(C[C@H]1CCCCO1)N([O-])Cc1ccc(F)cc1 ZINC000901372013 620797451 /nfs/dbraw/zinc/79/74/51/620797451.db2.gz MRACWTNXLDBGSB-CYBMUJFWSA-N -1 3 267.300 2.503 20 30 CFEDHM CCn1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000892483652 618362316 /nfs/dbraw/zinc/36/23/16/618362316.db2.gz 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ZINC000898095970 620337918 /nfs/dbraw/zinc/33/79/18/620337918.db2.gz KCYYMVOCOZKQEA-UHFFFAOYSA-N -1 3 293.367 2.906 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CC1CC2(C1)OCCO2 ZINC000899227910 620532872 /nfs/dbraw/zinc/53/28/72/620532872.db2.gz UUINSUXPUVUNDJ-CXUHLZMHSA-N -1 3 281.739 2.618 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC[C@H]2CCC(F)(F)C2)c1[O-] ZINC000899232927 620534657 /nfs/dbraw/zinc/53/46/57/620534657.db2.gz XSMQMJCQPMIXTD-SUDUWZNWSA-N -1 3 298.333 2.832 20 30 CFEDHM CCCn1nccc1/C=C/C(=O)c1cc(C)c([O-])c(O)c1 ZINC000901521277 620843799 /nfs/dbraw/zinc/84/37/99/620843799.db2.gz AVQSRSRQIZVHLT-SNAWJCMRSA-N -1 3 286.331 2.909 20 30 CFEDHM C[C@@H](NCC1(C#N)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903033480 621230433 /nfs/dbraw/zinc/23/04/33/621230433.db2.gz VCLARRUOLSKKSV-SNVBAGLBSA-N -1 3 275.308 2.645 20 30 CFEDHM C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000903409631 621364463 /nfs/dbraw/zinc/36/44/63/621364463.db2.gz WSWYZCJWOJJBPM-QMTHXVAHSA-N -1 3 292.766 2.754 20 30 CFEDHM C=CCOc1ccccc1CN[C@@H]1C=CC[C@@H](C(=O)[O-])C1 ZINC000904036070 621509466 /nfs/dbraw/zinc/50/94/66/621509466.db2.gz WPCQWJCJKWBLQO-UKRRQHHQSA-N -1 3 287.359 2.760 20 30 CFEDHM CC#CC[C@H](NCc1c(Cl)cccc1CC)C(=O)[O-] ZINC000904058582 621513237 /nfs/dbraw/zinc/51/32/37/621513237.db2.gz NSDNTPGEDKXXFG-AWEZNQCLSA-N -1 3 279.767 2.859 20 30 CFEDHM N#CCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904193656 621547172 /nfs/dbraw/zinc/54/71/72/621547172.db2.gz SARBNJYAKKRPAQ-UHFFFAOYSA-N -1 3 252.701 2.752 20 30 CFEDHM C[C@@]1(C(=O)N([O-])Cc2cccc3ccccc32)CCOC1 ZINC000904170259 621541011 /nfs/dbraw/zinc/54/10/11/621541011.db2.gz ANFLCWYERPYSKF-QGZVFWFLSA-N -1 3 285.343 2.984 20 30 CFEDHM C[C@H]1CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904174201 621542105 /nfs/dbraw/zinc/54/21/05/621542105.db2.gz WSGRKGCXOUSMGP-CMPLNLGQSA-N -1 3 251.301 2.980 20 30 CFEDHM O=C(c1noc2c1CCCC2)N([O-])Cc1ccc(F)cc1 ZINC000904174441 621542169 /nfs/dbraw/zinc/54/21/69/621542169.db2.gz ASLJJMXMRSLSTM-UHFFFAOYSA-N -1 3 290.294 2.724 20 30 CFEDHM O=C(CC1(O)CCCCC1)N([O-])Cc1ccc(F)cc1 ZINC000904173620 621542227 /nfs/dbraw/zinc/54/22/27/621542227.db2.gz NEUOZBFWFYBTLV-UHFFFAOYSA-N -1 3 281.327 2.629 20 30 CFEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1C ZINC000904174148 621542326 /nfs/dbraw/zinc/54/23/26/621542326.db2.gz UQCSJZNGDKDXTL-UHFFFAOYSA-N -1 3 276.311 2.813 20 30 CFEDHM O=C(COC1CCCCC1)N([O-])Cc1ccc(F)cc1 ZINC000904175481 621542513 /nfs/dbraw/zinc/54/25/13/621542513.db2.gz RRRRCOHTDSLXBY-UHFFFAOYSA-N -1 3 281.327 2.893 20 30 CFEDHM O=C(C1CC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904174755 621542708 /nfs/dbraw/zinc/54/27/08/621542708.db2.gz HVDVTVTUJCCMDU-UHFFFAOYSA-N -1 3 259.227 2.589 20 30 CFEDHM O=C([C@@H]1C[C@H]1c1cccnc1)N([O-])Cc1ccc(F)cc1 ZINC000904177339 621543246 /nfs/dbraw/zinc/54/32/46/621543246.db2.gz BHEQPPRZFPFBHB-LSDHHAIUSA-N -1 3 286.306 2.742 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCOC[C@@H]1OCC ZINC000904207230 621544117 /nfs/dbraw/zinc/54/41/17/621544117.db2.gz WKWULVIVVLLZED-KBPBESRZSA-N -1 3 287.400 2.616 20 30 CFEDHM CCCCCCN([O-])C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC000904207205 621544166 /nfs/dbraw/zinc/54/41/66/621544166.db2.gz VHKCDMPZBJQORG-UHFFFAOYSA-N -1 3 298.427 2.679 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccccc1F ZINC000904208695 621544493 /nfs/dbraw/zinc/54/44/93/621544493.db2.gz HHNSDKVUZZBILB-JTQLQIEISA-N -1 3 255.289 2.611 20 30 CFEDHM CCCCN([O-])C(=O)CCc1cc(OC)cc(OC)c1 ZINC000904207866 621544504 /nfs/dbraw/zinc/54/45/04/621544504.db2.gz GAQWBOSTYMWNTG-UHFFFAOYSA-N -1 3 281.352 2.654 20 30 CFEDHM CCCCN([O-])C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000904208653 621544528 /nfs/dbraw/zinc/54/45/28/621544528.db2.gz FICIWDUFOFIBFQ-UHFFFAOYSA-N -1 3 283.372 2.708 20 30 CFEDHM CCCCN([O-])C(=O)COCc1nc2ccccc2s1 ZINC000904208219 621544565 /nfs/dbraw/zinc/54/45/65/621544565.db2.gz QUCNWTGOPKBRHR-UHFFFAOYSA-N -1 3 294.376 2.831 20 30 CFEDHM O=C([C@H]1CCCS1)N([O-])Cc1ccccc1Cl ZINC000904188715 621545406 /nfs/dbraw/zinc/54/54/06/621545406.db2.gz LAJPOOHYGVQYII-LLVKDONJSA-N -1 3 271.769 2.953 20 30 CFEDHM O=C([C@H]1CC12CCOCC2)N([O-])Cc1ccccc1Cl ZINC000904188927 621545566 /nfs/dbraw/zinc/54/55/66/621545566.db2.gz STEDKJMFGHPXRE-GFCCVEGCSA-N -1 3 295.766 2.875 20 30 CFEDHM CSC1(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904190037 621546001 /nfs/dbraw/zinc/54/60/01/621546001.db2.gz GGORZWOGVMYJEL-UHFFFAOYSA-N -1 3 271.769 2.953 20 30 CFEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000904192182 621546366 /nfs/dbraw/zinc/54/63/66/621546366.db2.gz CUWUTOZTGZTSMG-GWCFXTLKSA-N -1 3 283.755 2.873 20 30 CFEDHM C[C@H]1OCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197433 621548148 /nfs/dbraw/zinc/54/81/48/621548148.db2.gz CTTVAKXWDVDIQV-HIFRSBDPSA-N -1 3 277.364 2.652 20 30 CFEDHM COCC1(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904198217 621548582 /nfs/dbraw/zinc/54/85/82/621548582.db2.gz WWOZJEKVMPSNEH-UHFFFAOYSA-N -1 3 277.364 2.654 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CC12CCOCC2 ZINC000904204918 621550425 /nfs/dbraw/zinc/55/04/25/621550425.db2.gz VSBXBIMCITUNOM-LBPRGKRZSA-N -1 3 255.358 2.601 20 30 CFEDHM CCCCCCN([O-])C(=O)c1occ2c1CCOC2 ZINC000904204543 621550597 /nfs/dbraw/zinc/55/05/97/621550597.db2.gz OLESZLRRJQBOMN-UHFFFAOYSA-N -1 3 267.325 2.764 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCc2cccnc21 ZINC000904204454 621550684 /nfs/dbraw/zinc/55/06/84/621550684.db2.gz MCKGHSIYQJQHOI-CYBMUJFWSA-N -1 3 262.353 2.910 20 30 CFEDHM CCCCCCN([O-])C(=O)C1(CC)CCOCC1 ZINC000904204768 621550764 /nfs/dbraw/zinc/55/07/64/621550764.db2.gz UTXNGYGSZJXSOG-UHFFFAOYSA-N -1 3 257.374 2.991 20 30 CFEDHM CCCCCCN([O-])C(=O)CCNC(=O)c1cccs1 ZINC000904205261 621551040 /nfs/dbraw/zinc/55/10/40/621551040.db2.gz DXIAZIOUWDUOQW-UHFFFAOYSA-N -1 3 298.408 2.666 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000904215670 621551717 /nfs/dbraw/zinc/55/17/17/621551717.db2.gz JDCJJHXIEKNRKU-LBPRGKRZSA-N -1 3 255.358 2.744 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000904212231 621553785 /nfs/dbraw/zinc/55/37/85/621553785.db2.gz MJZLKRAWRNUNPI-SECBINFHSA-N -1 3 253.346 2.538 20 30 CFEDHM CCCCN([O-])C(=O)CC1CC(OC(C)(C)C)C1 ZINC000904212251 621553840 /nfs/dbraw/zinc/55/38/40/621553840.db2.gz CBPOQCYEZDEHNM-UHFFFAOYSA-N -1 3 257.374 2.988 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000904212229 621553935 /nfs/dbraw/zinc/55/39/35/621553935.db2.gz BXHMDZRUHPFELW-SNVBAGLBSA-N -1 3 266.297 2.716 20 30 CFEDHM CCCCN([O-])C(=O)c1cnc(-c2cccnc2)s1 ZINC000904211773 621554057 /nfs/dbraw/zinc/55/40/57/621554057.db2.gz DNKRPPHCAWWSGW-UHFFFAOYSA-N -1 3 277.349 2.837 20 30 CFEDHM CCCCN([O-])C(=O)c1ncsc1C(F)(F)F ZINC000904213529 621554680 /nfs/dbraw/zinc/55/46/80/621554680.db2.gz RYJRYDRXGBHJCH-UHFFFAOYSA-N -1 3 268.260 2.793 20 30 CFEDHM C=C(CC)CNCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904246210 621555528 /nfs/dbraw/zinc/55/55/28/621555528.db2.gz LMBHPYHLYMPKTH-UHFFFAOYSA-N -1 3 292.379 2.636 20 30 CFEDHM CC(=NNC[C@H](C)C#N)c1ccc([O-])cc1Cl ZINC000905455754 621776179 /nfs/dbraw/zinc/77/61/79/621776179.db2.gz LKGKCQOJAVAFDL-MRVPVSSYSA-N -1 3 251.717 2.519 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911903339 622578363 /nfs/dbraw/zinc/57/83/63/622578363.db2.gz SHEWRVGVDUVQRY-SECBINFHSA-N -1 3 298.726 2.803 20 30 CFEDHM CCC(CC)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820893824 622784955 /nfs/dbraw/zinc/78/49/55/622784955.db2.gz WURUQSFOQFXEAA-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CCC(CC)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820893824 622784959 /nfs/dbraw/zinc/78/49/59/622784959.db2.gz WURUQSFOQFXEAA-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM COc1cc(C(=O)/C=C\c2oc(C)nc2C)ccc1[O-] ZINC000821033098 622826410 /nfs/dbraw/zinc/82/64/10/622826410.db2.gz YCUYBUOVFFNJCO-SREVYHEPSA-N -1 3 273.288 2.902 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000164102044 622936771 /nfs/dbraw/zinc/93/67/71/622936771.db2.gz LPJAJTNSMJJFGU-UHFFFAOYSA-N -1 3 291.244 2.917 20 30 CFEDHM COc1cc(C(=O)/C=C/c2cnn3ccccc23)ccc1[O-] ZINC000171736576 623241207 /nfs/dbraw/zinc/24/12/07/623241207.db2.gz HLIDDANCTCNBNM-VOTSOKGWSA-N -1 3 294.310 2.945 20 30 CFEDHM C#CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000173790785 623368773 /nfs/dbraw/zinc/36/87/73/623368773.db2.gz DNGDNSQYNXLZEH-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM C#CCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823845389 623403804 /nfs/dbraw/zinc/40/38/04/623403804.db2.gz QKGYEEVXKBHQFV-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM C#CCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823845389 623403807 /nfs/dbraw/zinc/40/38/07/623403807.db2.gz QKGYEEVXKBHQFV-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM COCCN(CCC#N)Cc1cc(Cl)c(C)cc1[O-] ZINC000824714463 623550465 /nfs/dbraw/zinc/55/04/65/623550465.db2.gz PYLJKQNSBUGRSK-UHFFFAOYSA-N -1 3 282.771 2.716 20 30 CFEDHM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000825051070 623617205 /nfs/dbraw/zinc/61/72/05/623617205.db2.gz WTKDVCXXAJWBDM-JTQLQIEISA-N -1 3 282.290 2.595 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000825704934 623743923 /nfs/dbraw/zinc/74/39/23/623743923.db2.gz QULWMDHRFREBTG-VQHVLOKHSA-N -1 3 294.314 2.918 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000825704934 623743928 /nfs/dbraw/zinc/74/39/28/623743928.db2.gz QULWMDHRFREBTG-VQHVLOKHSA-N -1 3 294.314 2.918 20 30 CFEDHM N#CCC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000826991312 623917650 /nfs/dbraw/zinc/91/76/50/623917650.db2.gz ZTLGEOVKZXBWOX-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM N#CCCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000914627548 623911567 /nfs/dbraw/zinc/91/15/67/623911567.db2.gz RCTPBMRGZPUBSA-UHFFFAOYSA-N -1 3 259.265 2.520 20 30 CFEDHM N#CCCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000914627548 623911568 /nfs/dbraw/zinc/91/15/68/623911568.db2.gz RCTPBMRGZPUBSA-UHFFFAOYSA-N -1 3 259.265 2.520 20 30 CFEDHM COc1ccc(C=NNc2cccc(C#N)c2)c([O-])c1 ZINC000914695338 623921305 /nfs/dbraw/zinc/92/13/05/623921305.db2.gz PWYQCWZBOWPRDQ-UHFFFAOYSA-N -1 3 267.288 2.718 20 30 CFEDHM C=CCO[N-]C(=O)CCCOc1ccccc1Cl ZINC000837046954 624081054 /nfs/dbraw/zinc/08/10/54/624081054.db2.gz SOTCFBRKCAKTSB-UHFFFAOYSA-N -1 3 269.728 2.733 20 30 CFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Cl)cc1 ZINC000915933121 624193714 /nfs/dbraw/zinc/19/37/14/624193714.db2.gz MHHCBZDBYWHWIX-UHFFFAOYSA-N -1 3 287.706 2.814 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[C@@H](O)C1 ZINC000915983146 624201398 /nfs/dbraw/zinc/20/13/98/624201398.db2.gz RBVMQEZYDXIAQK-WWISCJFESA-N -1 3 298.180 2.877 20 30 CFEDHM Cc1ncc(CO)c(C=NNc2ccc(Cl)cc2)c1[O-] ZINC000916246949 624232275 /nfs/dbraw/zinc/23/22/75/624232275.db2.gz QAAONALEYYELOI-UHFFFAOYSA-N -1 3 291.738 2.687 20 30 CFEDHM C#Cc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000032936729 624264173 /nfs/dbraw/zinc/26/41/73/624264173.db2.gz OMOWTIPKRGTTML-UHFFFAOYSA-N -1 3 288.306 2.762 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2)nc(C)n1 ZINC000916880167 624290320 /nfs/dbraw/zinc/29/03/20/624290320.db2.gz MPJMLHZNQISNPI-WHLNPGIBSA-N -1 3 277.327 2.983 20 30 CFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)c1 ZINC000916894610 624291109 /nfs/dbraw/zinc/29/11/09/624291109.db2.gz ROPOZPLYSTWDOY-AWEZNQCLSA-N -1 3 298.298 2.558 20 30 CFEDHM C=CC[C@H](C(=O)Nc1nnc(OCC)[n-]1)c1ccccc1 ZINC000830399473 624731194 /nfs/dbraw/zinc/73/11/94/624731194.db2.gz IJFKPVFUSVMPGT-LBPRGKRZSA-N -1 3 286.335 2.502 20 30 CFEDHM C=CC[C@H](C(=O)Nc1n[n-]c(OCC)n1)c1ccccc1 ZINC000830399473 624731200 /nfs/dbraw/zinc/73/12/00/624731200.db2.gz IJFKPVFUSVMPGT-LBPRGKRZSA-N -1 3 286.335 2.502 20 30 CFEDHM C=CC[C@H](C(=O)Nc1nc(OCC)n[n-]1)c1ccccc1 ZINC000830399473 624731206 /nfs/dbraw/zinc/73/12/06/624731206.db2.gz IJFKPVFUSVMPGT-LBPRGKRZSA-N -1 3 286.335 2.502 20 30 CFEDHM C#CCOc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000187194999 626479721 /nfs/dbraw/zinc/47/97/21/626479721.db2.gz SGSAGVCIHHZHOB-UHFFFAOYSA-N -1 3 297.310 2.665 20 30 CFEDHM CC(=NNC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000757591699 626556146 /nfs/dbraw/zinc/55/61/46/626556146.db2.gz FYYUGGRLJAGGNA-UHFFFAOYSA-N -1 3 268.744 2.538 20 30 CFEDHM N#CC(=C([O-])C=CC1CCCCC1)c1ccncn1 ZINC000760356100 626739451 /nfs/dbraw/zinc/73/94/51/626739451.db2.gz FHWBVPMQZRCNHS-YBJDMEARSA-N -1 3 255.321 2.789 20 30 CFEDHM C#CCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000760589076 626757856 /nfs/dbraw/zinc/75/78/56/626757856.db2.gz BZJGGSYGKWBBTF-UHFFFAOYSA-N -1 3 295.335 2.572 20 30 CFEDHM C[C@@H]1COCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000760989658 626790549 /nfs/dbraw/zinc/79/05/49/626790549.db2.gz DTSJUJNOYRSANP-IRFNAPINSA-N -1 3 253.729 2.890 20 30 CFEDHM C[C@H](C#N)Oc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764433842 627059756 /nfs/dbraw/zinc/05/97/56/627059756.db2.gz GBXOYZXBNCLMBJ-MEQVVJDKSA-N -1 3 267.288 2.643 20 30 CFEDHM C[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@H]1C ZINC000767378691 627246903 /nfs/dbraw/zinc/24/69/03/627246903.db2.gz FKARRTUWWCLJFN-CHWSQXEVSA-N -1 3 294.420 2.918 20 30 CFEDHM C#CCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770488656 627525500 /nfs/dbraw/zinc/52/55/00/627525500.db2.gz MUFPUMXDCAATBJ-UHFFFAOYSA-N -1 3 297.310 2.671 20 30 CFEDHM O=C(OCC#Cc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000771307399 627592321 /nfs/dbraw/zinc/59/23/21/627592321.db2.gz MPECFBKPNNKNLT-UHFFFAOYSA-N -1 3 270.259 2.740 20 30 CFEDHM C=CCC[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000772776993 627743946 /nfs/dbraw/zinc/74/39/46/627743946.db2.gz FLFTVYZKXNMYMD-NSHDSACASA-N -1 3 297.376 2.570 20 30 CFEDHM COC(=O)c1coc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000774139377 627892711 /nfs/dbraw/zinc/89/27/11/627892711.db2.gz PUFKTMPWVZVWOP-XQRVVYSFSA-N -1 3 286.283 2.976 20 30 CFEDHM Cn1[n-]ccc1=NN=C1C[C@H](c2ccccc2)C1(C)C ZINC000774411772 627921850 /nfs/dbraw/zinc/92/18/50/627921850.db2.gz NTRDXCFXYKRWGC-CYBMUJFWSA-N -1 3 268.364 2.824 20 30 CFEDHM Cn1[n-]ccc1=NN=C1C[C@@H](OCc2ccccc2)C1(C)C ZINC000774412473 627922004 /nfs/dbraw/zinc/92/20/04/627922004.db2.gz OULFXDMCNZWLQS-OAHLLOKOSA-N -1 3 298.390 2.625 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCC[C@@H]1Cc1ccccc1 ZINC000774415605 627922648 /nfs/dbraw/zinc/92/26/48/627922648.db2.gz YMJWZOOITBILJN-CQSZACIVSA-N -1 3 268.364 2.653 20 30 CFEDHM CC(=NN=c1cc[n-]n1C)c1sc(C(C)(C)C)nc1C ZINC000774415443 627922699 /nfs/dbraw/zinc/92/26/99/627922699.db2.gz WZUATDMJYBXYKM-UHFFFAOYSA-N -1 3 291.424 2.741 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(CF)cc1 ZINC000777534768 628233441 /nfs/dbraw/zinc/23/34/41/628233441.db2.gz GBGSJZAJEQJLRX-UHFFFAOYSA-N -1 3 279.340 2.932 20 30 CFEDHM N#Cc1cc(F)c(C(=O)[N-]OC2CCCCC2)c(F)c1 ZINC000779321961 628373197 /nfs/dbraw/zinc/37/31/97/628373197.db2.gz IUIYDAAWWWTHSL-UHFFFAOYSA-N -1 3 280.274 2.831 20 30 CFEDHM CCC(=NNc1ccncc1)c1ccc([O-])c(F)c1 ZINC000779810081 628409348 /nfs/dbraw/zinc/40/93/48/628409348.db2.gz ZXNBQSIPUTZLJA-UHFFFAOYSA-N -1 3 259.284 2.574 20 30 CFEDHM CC1(C)C[C@H](NN=Cc2cc(Cl)ccc2[O-])CCO1 ZINC000780252434 628445743 /nfs/dbraw/zinc/44/57/43/628445743.db2.gz IQBKGFIQUQUCSJ-GFCCVEGCSA-N -1 3 282.771 2.927 20 30 CFEDHM C#C[C@](C)(CC)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000852102222 634656926 /nfs/dbraw/zinc/65/69/26/634656926.db2.gz WUSUYRRGYKKRJB-QGZVFWFLSA-N -1 3 295.342 2.973 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cncnc1 ZINC000781107013 628522073 /nfs/dbraw/zinc/52/20/73/628522073.db2.gz OJTMVDGVOQNGIF-YXSUAUNDSA-N -1 3 270.263 2.705 20 30 CFEDHM O=C1c2ccccc2CN1N=Cc1ccc([O-])c(F)c1 ZINC000781597661 628563801 /nfs/dbraw/zinc/56/38/01/628563801.db2.gz SMZQTORTPKEVES-UHFFFAOYSA-N -1 3 270.263 2.521 20 30 CFEDHM COc1ccc(NN=Cc2ccc([O-])cn2)cc1Cl ZINC000782231100 628617789 /nfs/dbraw/zinc/61/77/89/628617789.db2.gz KAQZNPPQGXSCBB-UHFFFAOYSA-N -1 3 277.711 2.895 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CC[C@@H]1CCOC1 ZINC000783686070 628734510 /nfs/dbraw/zinc/73/45/10/628734510.db2.gz VZNMBWXNMPVVBQ-XBLUXWHVSA-N -1 3 253.729 2.891 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C#N)C(C)(C)C ZINC000783997532 628760827 /nfs/dbraw/zinc/76/08/27/628760827.db2.gz IRQZCAJADQOVIJ-SNVBAGLBSA-N -1 3 281.306 2.536 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NNCCc1ccccn1 ZINC000789125067 629128297 /nfs/dbraw/zinc/12/82/97/629128297.db2.gz RJWPLUGNJMNCHV-UHFFFAOYSA-N -1 3 275.739 2.607 20 30 CFEDHM C=CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000790722941 629258835 /nfs/dbraw/zinc/25/88/35/629258835.db2.gz CNRJXXQQSJTJLH-ZDUSSCGKSA-N -1 3 284.315 2.540 20 30 CFEDHM C=CCN(CCOC)Cc1cc(Cl)cc(F)c1[O-] ZINC000792193196 629407666 /nfs/dbraw/zinc/40/76/66/629407666.db2.gz RSXNATIVDBDYRQ-UHFFFAOYSA-N -1 3 273.735 2.819 20 30 CFEDHM CNc1c(C([O-])=C(C#N)c2ccccn2)cccc1[N+](=O)[O-] ZINC000793127781 629490804 /nfs/dbraw/zinc/49/08/04/629490804.db2.gz YAYZUGZULYEVEA-NSHDSACASA-N -1 3 296.286 2.522 20 30 CFEDHM COc1ccc(NN=Cc2c(F)ccc([O-])c2F)nc1 ZINC000794536742 629656786 /nfs/dbraw/zinc/65/67/86/629656786.db2.gz SFNIJBPQXKLFMS-UHFFFAOYSA-N -1 3 279.246 2.520 20 30 CFEDHM Cn1ncc2c1CC/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794937324 629707029 /nfs/dbraw/zinc/70/70/29/629707029.db2.gz HVZVLWMMAKJEMJ-SOFGYWHQSA-N -1 3 290.269 2.616 20 30 CFEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])[C@H]1CCOC1 ZINC000798343692 630180290 /nfs/dbraw/zinc/18/02/90/630180290.db2.gz NYNRJJPSIRQCIG-XUDHKLPYSA-N -1 3 253.729 2.890 20 30 CFEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1c(C)cc(C)cc1O ZINC000799876546 630350574 /nfs/dbraw/zinc/35/05/74/630350574.db2.gz SVGFHDNDCAEZDO-UHFFFAOYSA-N -1 3 296.334 2.511 20 30 CFEDHM C#CCC(CC#C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000807151744 630862413 /nfs/dbraw/zinc/86/24/13/630862413.db2.gz NXWKIHWCLRUQHO-UHFFFAOYSA-N -1 3 261.708 2.647 20 30 CFEDHM Cn1[n-]ccc1=NN=C(CCC(C)(C)C)c1cscn1 ZINC000807985658 630931580 /nfs/dbraw/zinc/93/15/80/630931580.db2.gz LWFCADDAYKCBFP-UHFFFAOYSA-N -1 3 291.424 2.941 20 30 CFEDHM C=CCO[N-]C(=O)CCCc1ccc(F)c(F)c1 ZINC000837048085 630946225 /nfs/dbraw/zinc/94/62/25/630946225.db2.gz MIWQLYQCDZIOQQ-UHFFFAOYSA-N -1 3 255.264 2.521 20 30 CFEDHM C=CCCCCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000837594438 631080671 /nfs/dbraw/zinc/08/06/71/631080671.db2.gz BQBKBESNNIITJQ-UHFFFAOYSA-N -1 3 280.320 2.923 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2C[C@H]2c2ccccc2)c1[O-] ZINC000840705159 631175179 /nfs/dbraw/zinc/17/51/79/631175179.db2.gz FDHWXVWLUPSUJJ-FZOLNMOVSA-N -1 3 296.370 2.811 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2CCC(C(F)F)CC2)c1[O-] ZINC000840709971 631175628 /nfs/dbraw/zinc/17/56/28/631175628.db2.gz GWVNLTCJYOAPJY-FBCYGCLPSA-N -1 3 298.333 2.831 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(F)cc(F)c2)c1 ZINC000811184126 631531628 /nfs/dbraw/zinc/53/16/28/631531628.db2.gz HPRJYBBBFXYMRB-UHFFFAOYSA-N -1 3 289.237 2.899 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCCCCCF)c1 ZINC000811183944 631531923 /nfs/dbraw/zinc/53/19/23/631531923.db2.gz CCQQWCKMBSENBY-UHFFFAOYSA-N -1 3 251.257 2.560 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc3c(c2)COC3)c1 ZINC000811185538 631532906 /nfs/dbraw/zinc/53/29/06/631532906.db2.gz NRPITBNOYOYLKW-UHFFFAOYSA-N -1 3 295.294 2.651 20 30 CFEDHM CC(C)OCCON=Cc1cc(Cl)ccc1[O-] ZINC000812240927 631677826 /nfs/dbraw/zinc/67/78/26/631677826.db2.gz XAYFZSKDFJWYFH-UHFFFAOYSA-N -1 3 257.717 2.821 20 30 CFEDHM Cc1nn(C)c2cc(N=Cc3ccc(O)c([O-])c3O)ccc12 ZINC000812444294 631719262 /nfs/dbraw/zinc/71/92/62/631719262.db2.gz CBILOCVHHWKSTQ-UHFFFAOYSA-N -1 3 297.314 2.749 20 30 CFEDHM C#CC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000843427271 631955267 /nfs/dbraw/zinc/95/52/67/631955267.db2.gz XPDOHOJKWKSKCS-UHFFFAOYSA-N -1 3 294.192 3.000 20 30 CFEDHM Cc1ccccc1[C@@H]1C[C@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000844269408 632150190 /nfs/dbraw/zinc/15/01/90/632150190.db2.gz CAEQQGMCYITMKO-BKOFWZAJSA-N -1 3 296.370 2.871 20 30 CFEDHM COC[C@H](C)NN=Cc1ccc2ccccc2c1[O-] ZINC000814895824 632153447 /nfs/dbraw/zinc/15/34/47/632153447.db2.gz WPKGBCVBQCJTFQ-NSHDSACASA-N -1 3 258.321 2.504 20 30 CFEDHM CC(=NNc1cnnn1C)c1ccc2ccccc2c1[O-] ZINC000814979926 632183342 /nfs/dbraw/zinc/18/33/42/632183342.db2.gz VCVUERRVTVKHSV-UHFFFAOYSA-N -1 3 281.319 2.510 20 30 CFEDHM CCOc1ccc(NN=Cc2ccc([O-])cn2)cc1 ZINC000814984419 632186150 /nfs/dbraw/zinc/18/61/50/632186150.db2.gz ZZIQYZXCFNLENH-UHFFFAOYSA-N -1 3 257.293 2.632 20 30 CFEDHM N#CCCOCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000815240114 632237303 /nfs/dbraw/zinc/23/73/03/632237303.db2.gz ZFZSLVOWCHGPDQ-UHFFFAOYSA-N -1 3 291.328 2.694 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000844709410 632287239 /nfs/dbraw/zinc/28/72/39/632287239.db2.gz FVIVHPFXZHBJDJ-QMMMGPOBSA-N -1 3 281.381 2.995 20 30 CFEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000816006359 632352150 /nfs/dbraw/zinc/35/21/50/632352150.db2.gz WUJCSCNISNVHIN-UHFFFAOYSA-N -1 3 299.305 2.721 20 30 CFEDHM C=CCN(CCOC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816590772 632490527 /nfs/dbraw/zinc/49/05/27/632490527.db2.gz LLMNGKGEWZVDCW-UHFFFAOYSA-N -1 3 273.735 2.819 20 30 CFEDHM CCC[C@@H](OC)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845864 632579473 /nfs/dbraw/zinc/57/94/73/632579473.db2.gz ZUKKJEFNJGCDFJ-LSDHHAIUSA-N -1 3 299.370 2.811 20 30 CFEDHM CCC[C@@H](OC)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845862 632579763 /nfs/dbraw/zinc/57/97/63/632579763.db2.gz ZUKKJEFNJGCDFJ-HUUCEWRRSA-N -1 3 299.370 2.811 20 30 CFEDHM C=CCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817293242 632596610 /nfs/dbraw/zinc/59/66/10/632596610.db2.gz LFIHTBNGEYRONS-LBPRGKRZSA-N -1 3 298.308 2.672 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000846534407 632724051 /nfs/dbraw/zinc/72/40/51/632724051.db2.gz ZVZATTMZFINPPI-CQSZACIVSA-N -1 3 258.321 2.698 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCOc1ccc2c(c1)CCC2 ZINC000846535800 632725233 /nfs/dbraw/zinc/72/52/33/632725233.db2.gz CPYZXNDNNIPNOF-UHFFFAOYSA-N -1 3 289.375 2.958 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1ccc(F)cc1Cl ZINC000846535797 632725562 /nfs/dbraw/zinc/72/55/62/632725562.db2.gz CFUJGFJHZOYIJZ-UHFFFAOYSA-N -1 3 257.692 2.646 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000846537633 632726562 /nfs/dbraw/zinc/72/65/62/632726562.db2.gz AKDRCXALYCLWSF-LLVKDONJSA-N -1 3 251.301 2.943 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000846537882 632727690 /nfs/dbraw/zinc/72/76/90/632727690.db2.gz PYUKGCFWEKVSLY-LBPRGKRZSA-N -1 3 263.337 2.813 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1ccc(OCC)cc1 ZINC000846539601 632728538 /nfs/dbraw/zinc/72/85/38/632728538.db2.gz JUVMVADFPYNHOL-UHFFFAOYSA-N -1 3 263.337 2.642 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1cc(C)sc1C ZINC000846540432 632729420 /nfs/dbraw/zinc/72/94/20/632729420.db2.gz VBRRIGXTAITIJK-UHFFFAOYSA-N -1 3 281.377 2.952 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000846542661 632730567 /nfs/dbraw/zinc/73/05/67/632730567.db2.gz FTWVTIBMNHRHJD-LBPRGKRZSA-N -1 3 293.411 2.711 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1Cl ZINC000846541895 632731063 /nfs/dbraw/zinc/73/10/63/632731063.db2.gz PBINWTRFSJWDES-JTQLQIEISA-N -1 3 253.729 2.895 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccc(C)cc1C ZINC000846544191 632733092 /nfs/dbraw/zinc/73/30/92/632733092.db2.gz PETORRYNYWNDQL-ZDUSSCGKSA-N -1 3 263.337 2.695 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1ccccc1C ZINC000846545522 632733900 /nfs/dbraw/zinc/73/39/00/632733900.db2.gz XDCDMMMHFPNDMJ-CYBMUJFWSA-N -1 3 263.337 2.776 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000846546015 632733984 /nfs/dbraw/zinc/73/39/84/632733984.db2.gz RMULZEGTEHJJHZ-HIFRSBDPSA-N -1 3 276.380 2.692 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1c[nH]c2c1cccc2CC ZINC000846546166 632734949 /nfs/dbraw/zinc/73/49/49/632734949.db2.gz SKMHBSOYCFFHNK-NSHDSACASA-N -1 3 272.348 2.895 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCc1nc2ccccc2[nH]1 ZINC000846548918 632737434 /nfs/dbraw/zinc/73/74/34/632737434.db2.gz HTMIDFGEUMIYMH-NSHDSACASA-N -1 3 273.336 2.508 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccccc1CC ZINC000846551844 632739295 /nfs/dbraw/zinc/73/92/95/632739295.db2.gz AUCSYUAUZZZDNW-GFCCVEGCSA-N -1 3 263.337 2.640 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000846552232 632739731 /nfs/dbraw/zinc/73/97/31/632739731.db2.gz CRPCQADWODMWFU-LLVKDONJSA-N -1 3 287.363 2.754 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000846552985 632741068 /nfs/dbraw/zinc/74/10/68/632741068.db2.gz UPWZQNWZEXCZIJ-NWDGAFQWSA-N -1 3 294.782 2.789 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(C)cc1Br ZINC000846553929 632741214 /nfs/dbraw/zinc/74/12/14/632741214.db2.gz GCXSJRSLYFBUAY-JTQLQIEISA-N -1 3 298.180 2.922 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000846556173 632742325 /nfs/dbraw/zinc/74/23/25/632742325.db2.gz YVGDPTATPHXPGL-JSGCOSHPSA-N -1 3 258.321 2.696 20 30 CFEDHM CCCCCCCCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000847018681 632883761 /nfs/dbraw/zinc/88/37/61/632883761.db2.gz QXBROHCCWJOLNO-UHFFFAOYSA-N -1 3 281.356 2.885 20 30 CFEDHM CCCCCCCCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000847018681 632883767 /nfs/dbraw/zinc/88/37/67/632883767.db2.gz QXBROHCCWJOLNO-UHFFFAOYSA-N -1 3 281.356 2.885 20 30 CFEDHM O=C([O-])c1cccc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848399608 633248746 /nfs/dbraw/zinc/24/87/46/633248746.db2.gz UXPILECOHNCDCZ-HNNXBMFYSA-N -1 3 287.363 2.801 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2cn(C3CCC3)nn2)ccc1[O-] ZINC000849245807 633589425 /nfs/dbraw/zinc/58/94/25/633589425.db2.gz UEYYDLBDANULQC-VURMDHGXSA-N -1 3 283.331 2.913 20 30 CFEDHM C#C[C@@](C)(CC)NC(=O)c1cc(SC)ccc1[O-] ZINC000854693664 635367186 /nfs/dbraw/zinc/36/71/86/635367186.db2.gz VJWBMYVMFZOPDV-AWEZNQCLSA-N -1 3 263.362 2.646 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000855026994 635445116 /nfs/dbraw/zinc/44/51/16/635445116.db2.gz VPLLVXFCJNWNET-IVZWLZJFSA-N -1 3 265.275 2.977 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000855027227 635445397 /nfs/dbraw/zinc/44/53/97/635445397.db2.gz ZVTDMAZRODYINQ-NXEZZACHSA-N -1 3 265.275 2.979 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000855439025 635552659 /nfs/dbraw/zinc/55/26/59/635552659.db2.gz UAUBMDYSNPQJAM-LBPRGKRZSA-N -1 3 297.358 2.764 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000856029137 635704245 /nfs/dbraw/zinc/70/42/45/635704245.db2.gz ATYLQEWAVGWFHZ-WCQYABFASA-N -1 3 263.337 2.960 20 30 CFEDHM C=CCCO[N-]C(=O)CCSc1ccc(F)cc1 ZINC000856028419 635704256 /nfs/dbraw/zinc/70/42/56/635704256.db2.gz HNWUEXKBUBDAPK-UHFFFAOYSA-N -1 3 269.341 2.932 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc2ccccc2n1 ZINC000856028768 635704424 /nfs/dbraw/zinc/70/44/24/635704424.db2.gz 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AAKSVQKHYJQCSH-UHFFFAOYSA-N -1 3 258.115 2.914 20 30 CFEDHM [O-]c1cccc(Br)c1C=NOCC1CC1 ZINC000863115513 637561736 /nfs/dbraw/zinc/56/17/36/637561736.db2.gz QYNQKCSMDNVGIA-UHFFFAOYSA-N -1 3 270.126 2.915 20 30 CFEDHM [O-]c1ccc(C=NNCC(F)(F)C(F)(F)F)cc1F ZINC000863181091 637580811 /nfs/dbraw/zinc/58/08/11/637580811.db2.gz HVXSAZKDMAYGMN-UHFFFAOYSA-N -1 3 286.175 2.652 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC[C@H]2CC=CCC2)c1[O-] ZINC000864345555 637946029 /nfs/dbraw/zinc/94/60/29/637946029.db2.gz AFIALALGRLHNSP-VZWMTCDZSA-N -1 3 274.364 2.753 20 30 CFEDHM COC(=O)C1=CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000864344621 637946136 /nfs/dbraw/zinc/94/61/36/637946136.db2.gz CTYJIXGSPUUKFI-WIJRQFRKSA-N -1 3 279.723 2.726 20 30 CFEDHM CC(C)n1ccc(CN[C@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866268889 638785428 /nfs/dbraw/zinc/78/54/28/638785428.db2.gz KEUNQVJULDXDLA-GFCCVEGCSA-N -1 3 284.363 2.892 20 30 CFEDHM Cc1nccnc1[C@H](C)N[C@H](C)c1cccc(C#N)c1[O-] ZINC000872130412 641657882 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ZINC001227350947 776182739 /nfs/dbraw/zinc/18/27/39/776182739.db2.gz RDKPZMIGFFJWDC-INIZCTEOSA-N -1 3 267.284 2.973 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227349809 776182822 /nfs/dbraw/zinc/18/28/22/776182822.db2.gz KAOSSYPRAFXDTD-LLVKDONJSA-N -1 3 259.381 2.912 20 30 CFEDHM N#CC1CC(Oc2c([O-])cc(Br)cc2F)C1 ZINC001227587089 776235369 /nfs/dbraw/zinc/23/53/69/776235369.db2.gz GHRXZULUDRSEJF-UHFFFAOYSA-N -1 3 286.100 2.975 20 30 CFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cccs1 ZINC000125135528 776253172 /nfs/dbraw/zinc/25/31/72/776253172.db2.gz NHMHHABUKOEQMQ-NNNHXZLVSA-N -1 3 297.339 2.504 20 30 CFEDHM C#C[C@@H](CC)Oc1nc2cc(C(=O)OCC)ccc2[n-]1 ZINC001227701963 776262009 /nfs/dbraw/zinc/26/20/09/776262009.db2.gz NTTDLQZTMIQJGE-NSHDSACASA-N -1 3 272.304 2.530 20 30 CFEDHM C=C(C)C[C@@H](Oc1nc(C(=O)OC)ccc1[O-])C(=C)C ZINC001227825062 776300230 /nfs/dbraw/zinc/30/02/30/776300230.db2.gz LQENQXSBZSOBRT-CYBMUJFWSA-N -1 3 277.320 2.864 20 30 CFEDHM 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274.320 2.964 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CC=C(OC)CC1 ZINC001233807643 778085215 /nfs/dbraw/zinc/08/52/15/778085215.db2.gz XDGOVOZYDRRWNM-RKPNYOAGSA-N -1 3 277.320 2.965 20 30 CFEDHM CCC[C@@H](CC(=O)OCC)Oc1cc([O-])cc(C#N)c1 ZINC001234143211 778174368 /nfs/dbraw/zinc/17/43/68/778174368.db2.gz BFJOHGQVFHZHLW-ZDUSSCGKSA-N -1 3 277.320 2.765 20 30 CFEDHM Cc1cn2c(n1)[C@@H](Oc1cc([O-])cc(C#N)c1)CCC2 ZINC001234144417 778174714 /nfs/dbraw/zinc/17/47/14/778174714.db2.gz NUCNIBNNZXFHKT-AWEZNQCLSA-N -1 3 269.304 2.683 20 30 CFEDHM COC(=O)C[C@@H]1CCC[C@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234143789 778175134 /nfs/dbraw/zinc/17/51/34/778175134.db2.gz GRFLTVCLLNYWJQ-RISCZKNCSA-N -1 3 289.331 2.765 20 30 CFEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)C(=O)OCc1ccccc1 ZINC001234145002 778176026 /nfs/dbraw/zinc/17/60/26/778176026.db2.gz ZEXNNGNSWKYOPX-LBPRGKRZSA-N -1 3 297.310 2.775 20 30 CFEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cccnc1 ZINC001234511575 778241152 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780892771 /nfs/dbraw/zinc/89/27/71/780892771.db2.gz NGOHOPQJDYJWGP-UHFFFAOYSA-N -1 3 290.330 2.726 20 30 CFEDHM N#Cc1cc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]1 ZINC001241445460 780897366 /nfs/dbraw/zinc/89/73/66/780897366.db2.gz ONGYWNVIZILZBF-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#Cc1cc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]1 ZINC001241445460 780897379 /nfs/dbraw/zinc/89/73/79/780897379.db2.gz ONGYWNVIZILZBF-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC000702229607 780901543 /nfs/dbraw/zinc/90/15/43/780901543.db2.gz VOEUVCXYYZOWFW-QMMMGPOBSA-N -1 3 291.825 2.728 20 30 CFEDHM [O-]N=Cc1ccccc1-c1ccc2c(c1)NCCO2 ZINC001241492887 780940802 /nfs/dbraw/zinc/94/08/02/780940802.db2.gz SPBBMOIUBXSCJX-UHFFFAOYSA-N -1 3 254.289 2.966 20 30 CFEDHM N#Cc1cc(-c2ccc3c(c2)[C@@H](O)CCO3)ccc1[O-] ZINC001242565114 781603990 /nfs/dbraw/zinc/60/39/90/781603990.db2.gz MDIZMGQRDBZYRS-HNNXBMFYSA-N -1 3 267.284 2.747 20 30 CFEDHM COc1nccc(-c2cccc(/C=N/[O-])c2)c1OC ZINC001242960564 781879517 /nfs/dbraw/zinc/87/95/17/781879517.db2.gz MLIXIFXRVKNHGJ-CXUHLZMHSA-N -1 3 258.277 2.574 20 30 CFEDHM N#CC1(c2ccc(CNCc3ncccc3[O-])cc2)CC1 ZINC000594939920 349520278 /nfs/dbraw/zinc/52/02/78/349520278.db2.gz VBCAQMRNJJWGRM-UHFFFAOYSA-N -1 3 279.343 2.632 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595400648 349617335 /nfs/dbraw/zinc/61/73/35/349617335.db2.gz YCCVLPOWUMQCSI-UHFFFAOYSA-N -1 3 298.364 2.618 20 30 CFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(CC#N)cc2)n1 ZINC000595524979 349651114 /nfs/dbraw/zinc/65/11/14/349651114.db2.gz CKHKHLWTLYZGEH-UHFFFAOYSA-N -1 3 296.374 2.582 20 30 CFEDHM CC[C@@H](C)n1nc([N-]c2ncc(C#N)cc2F)cc1C ZINC000413218833 529437404 /nfs/dbraw/zinc/43/74/04/529437404.db2.gz BUIOQYOMPGAORY-SECBINFHSA-N -1 3 273.315 2.734 20 30 CFEDHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@H](C)C#N ZINC000595817526 349740281 /nfs/dbraw/zinc/74/02/81/349740281.db2.gz KTSVNVJMOFDNHP-GFCCVEGCSA-N -1 3 282.347 2.583 20 30 CFEDHM CCC(CC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126702322 187256502 /nfs/dbraw/zinc/25/65/02/187256502.db2.gz GPUZFJNXWAWJPQ-UHFFFAOYSA-N -1 3 286.784 2.679 20 30 CFEDHM N#Cc1[n-]c(=NC[C@H](CO)CC2CCCC2)sc1Cl ZINC000596220204 349830996 /nfs/dbraw/zinc/83/09/96/349830996.db2.gz LEJGZSIMXJFNOX-SNVBAGLBSA-N -1 3 299.827 2.691 20 30 CFEDHM N#Cc1[n-]c(=NC[C@H]2CCC(F)(F)C2)sc1Cl ZINC000596219570 349831062 /nfs/dbraw/zinc/83/10/62/349831062.db2.gz VDGMRVXTBZZCIL-LURJTMIESA-N -1 3 277.727 2.937 20 30 CFEDHM CC(C)(CCC#N)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596240841 349836958 /nfs/dbraw/zinc/83/69/58/349836958.db2.gz AFDMTNGOXWHJJK-UHFFFAOYSA-N -1 3 268.773 2.832 20 30 CFEDHM N#Cc1ccc(CCC(=O)Nc2ccccc2[O-])cc1 ZINC000073138884 346962595 /nfs/dbraw/zinc/96/25/95/346962595.db2.gz HCMMJHLHLIDVQP-UHFFFAOYSA-N -1 3 266.300 2.835 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2CCC[C@@H]3C[C@@H]32)sc1Cl ZINC000596473920 349912059 /nfs/dbraw/zinc/91/20/59/349912059.db2.gz KKZRKWNLAHATOQ-VGMNWLOBSA-N -1 3 267.785 2.938 20 30 CFEDHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000075505031 347080958 /nfs/dbraw/zinc/08/09/58/347080958.db2.gz JNLKYUQXTJCJIQ-NSHDSACASA-N -1 3 266.300 2.755 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000035426653 346320579 /nfs/dbraw/zinc/32/05/79/346320579.db2.gz MPQLZICOXRAJTI-AWEZNQCLSA-N -1 3 294.358 2.803 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(F)c2)nc(C)n1 ZINC000041574181 346353656 /nfs/dbraw/zinc/35/36/56/346353656.db2.gz BGNUYQXMBLJCTD-CYBMUJFWSA-N -1 3 269.279 2.723 20 30 CFEDHM N#CCc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000048521450 346474726 /nfs/dbraw/zinc/47/47/26/346474726.db2.gz VDYWAHOBGAXEPJ-UHFFFAOYSA-N -1 3 252.273 2.711 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1c([O-])cccc1O ZINC000092122760 347610785 /nfs/dbraw/zinc/61/07/85/347610785.db2.gz GRFYVUZTLWDTIG-UHFFFAOYSA-N -1 3 263.337 2.916 20 30 CFEDHM CN(CC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094072642 347690632 /nfs/dbraw/zinc/69/06/32/347690632.db2.gz XNDXPEWPWVIICG-UHFFFAOYSA-N -1 3 294.354 2.773 20 30 CFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000125576339 347828052 /nfs/dbraw/zinc/82/80/52/347828052.db2.gz PAQHISHKCGMKKC-SECBINFHSA-N -1 3 298.795 2.536 20 30 CFEDHM C=C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000267432214 348326749 /nfs/dbraw/zinc/32/67/49/348326749.db2.gz DRSZLPJXNXWMAY-UHFFFAOYSA-N -1 3 263.312 2.886 20 30 CFEDHM N#C[C@@H]1CC[C@H](Sc2n[n-]c(-c3ccccn3)n2)C1 ZINC000278643797 348338960 /nfs/dbraw/zinc/33/89/60/348338960.db2.gz VMDGFXJJPJNZBU-ZJUUUORDSA-N -1 3 271.349 2.651 20 30 CFEDHM C[C@H](CC#N)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000589511416 348836789 /nfs/dbraw/zinc/83/67/89/348836789.db2.gz JHEOAKTWQGPUCB-MRVPVSSYSA-N -1 3 258.243 2.803 20 30 CFEDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535174 349290806 /nfs/dbraw/zinc/29/08/06/349290806.db2.gz JNNLKNSOWACINU-WDEREUQCSA-N -1 3 298.433 2.724 20 30 CFEDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593529204 349290855 /nfs/dbraw/zinc/29/08/55/349290855.db2.gz ZSRHDPMBPHPXQK-WDEREUQCSA-N -1 3 298.433 2.867 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593542833 349292183 /nfs/dbraw/zinc/29/21/83/349292183.db2.gz AKGBJACENPIAJA-OUAUKWLOSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593556302 349293071 /nfs/dbraw/zinc/29/30/71/349293071.db2.gz GKGVHFNAMBJENZ-GHMZBOCLSA-N -1 3 298.433 2.867 20 30 CFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@@H](C)C1 ZINC000593559368 349293115 /nfs/dbraw/zinc/29/31/15/349293115.db2.gz ZOUTUMIHGFSHKZ-URLYPYJESA-N -1 3 298.433 2.723 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573378 349294744 /nfs/dbraw/zinc/29/47/44/349294744.db2.gz QGMYQIQXNVOQAN-SNVBAGLBSA-N -1 3 284.406 2.643 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000593607281 349298089 /nfs/dbraw/zinc/29/80/89/349298089.db2.gz NTNQKNYCZDPONP-UHFFFAOYSA-N -1 3 296.417 2.621 20 30 CFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000593410339 349262771 /nfs/dbraw/zinc/26/27/71/349262771.db2.gz QDIMWWBGVVQQMR-ZETCQYMHSA-N -1 3 283.125 2.643 20 30 CFEDHM C[C@@]1(C#N)CCN(Cc2cccc([O-])c2Br)C1 ZINC000597232443 350065921 /nfs/dbraw/zinc/06/59/21/350065921.db2.gz UJHTYNZERGOQRB-ZDUSSCGKSA-N -1 3 295.180 2.890 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000597437677 350097560 /nfs/dbraw/zinc/09/75/60/350097560.db2.gz LKMGHYFCKXKWEZ-JTQLQIEISA-N -1 3 290.388 2.878 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N(C)CC(C)(C)C#N)c1 ZINC000597694501 350125008 /nfs/dbraw/zinc/12/50/08/350125008.db2.gz GLIVHAIZLTYASG-UHFFFAOYSA-N -1 3 278.377 2.736 20 30 CFEDHM CSc1ccc([O-])c(C(=O)NCC(C)(C)CC#N)c1 ZINC000597761694 350132864 /nfs/dbraw/zinc/13/28/64/350132864.db2.gz CYMOYHUUUQMVQI-UHFFFAOYSA-N -1 3 278.377 2.784 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597903030 350152720 /nfs/dbraw/zinc/15/27/20/350152720.db2.gz DHWKATSBYPYUNO-CYBMUJFWSA-N -1 3 272.348 2.720 20 30 CFEDHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)[C@H](C)C#N ZINC000598361746 350249366 /nfs/dbraw/zinc/24/93/66/350249366.db2.gz PJVQZLXHJZYWJH-LLVKDONJSA-N -1 3 272.348 2.645 20 30 CFEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2noc3c2CCCC3)n1 ZINC000598854382 350340222 /nfs/dbraw/zinc/34/02/22/350340222.db2.gz QMPWDVXJNVAQIJ-UHFFFAOYSA-N -1 3 296.330 2.689 20 30 CFEDHM CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1(C#N)CCC1 ZINC000598894039 350345518 /nfs/dbraw/zinc/34/55/18/350345518.db2.gz IIUBLZRULDVIGR-UHFFFAOYSA-N -1 3 298.264 2.929 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000599445835 350439167 /nfs/dbraw/zinc/43/91/67/350439167.db2.gz RMRBHDNUDDOLBP-NSHDSACASA-N -1 3 296.417 2.644 20 30 CFEDHM C[C@H](C#N)N(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000599470536 350442809 /nfs/dbraw/zinc/44/28/09/350442809.db2.gz RSUSFOCOTJEQIF-SECBINFHSA-N -1 3 250.729 2.922 20 30 CFEDHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C#N ZINC000600706284 350598227 /nfs/dbraw/zinc/59/82/27/350598227.db2.gz DQFFNDRAVPPOFL-JSGCOSHPSA-N -1 3 272.348 2.552 20 30 CFEDHM N#Cc1cc(-c2ccc(NC[C@H]3CCCO3)nc2)ccc1[O-] ZINC000600779947 350610129 /nfs/dbraw/zinc/61/01/29/350610129.db2.gz KJPOTTIKWGTKII-OAHLLOKOSA-N -1 3 295.342 2.917 20 30 CFEDHM CCc1c(-c2ccccc2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601935449 350807974 /nfs/dbraw/zinc/80/79/74/350807974.db2.gz JYEDUTKPRHEMKB-WCQYABFASA-N -1 3 255.321 2.561 20 30 CFEDHM CCc1c(-c2ccccc2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601935447 350808108 /nfs/dbraw/zinc/80/81/08/350808108.db2.gz JYEDUTKPRHEMKB-AAEUAGOBSA-N -1 3 255.321 2.561 20 30 CFEDHM CCC[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000604468166 351213697 /nfs/dbraw/zinc/21/36/97/351213697.db2.gz WXMPRSFLLPAOQM-JTQLQIEISA-N -1 3 289.379 2.513 20 30 CFEDHM CCc1cccc(C(=O)NCc2ccc(C#N)cc2F)c1[O-] ZINC000610579536 351583797 /nfs/dbraw/zinc/58/37/97/351583797.db2.gz LTONSLUBXIGYAZ-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM N#C[C@H](Cc1ccccc1)Sc1nc2cncnc2[n-]1 ZINC000614093452 352045461 /nfs/dbraw/zinc/04/54/61/352045461.db2.gz VIERQWRQIPBGEG-NSHDSACASA-N -1 3 281.344 2.580 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000617038524 352474748 /nfs/dbraw/zinc/47/47/48/352474748.db2.gz YLQSWODNTBHUJC-YPMHNXCESA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000617042592 352477777 /nfs/dbraw/zinc/47/77/77/352477777.db2.gz TUEZVSQWEYMYQG-DGCLKSJQSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000617042592 352477781 /nfs/dbraw/zinc/47/77/81/352477781.db2.gz TUEZVSQWEYMYQG-DGCLKSJQSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000617042592 352477785 /nfs/dbraw/zinc/47/77/85/352477785.db2.gz TUEZVSQWEYMYQG-DGCLKSJQSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000617617561 352605968 /nfs/dbraw/zinc/60/59/68/352605968.db2.gz LGWIZDKHCKYPCU-UHFFFAOYSA-N -1 3 259.227 2.717 20 30 CFEDHM Cc1ccc([O-])c(CN[C@H]2CCc3cc(C#N)ccc32)n1 ZINC000618741423 352876024 /nfs/dbraw/zinc/87/60/24/352876024.db2.gz GEJLICKLDRWVAN-HNNXBMFYSA-N -1 3 279.343 2.744 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618783905 352880868 /nfs/dbraw/zinc/88/08/68/352880868.db2.gz MJBUEXRJDMKDIO-INIZCTEOSA-N -1 3 292.338 2.990 20 30 CFEDHM N#Cc1ccc(CNC(=O)c2ccccc2[O-])cc1Cl ZINC000619762208 353064525 /nfs/dbraw/zinc/06/45/25/353064525.db2.gz IAOOLYKEXXXIEI-UHFFFAOYSA-N -1 3 286.718 2.847 20 30 CFEDHM C=CCOc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000155879121 188232308 /nfs/dbraw/zinc/23/23/08/188232308.db2.gz VBGULXSEDARPNL-CQSZACIVSA-N -1 3 292.335 2.831 20 30 CFEDHM C=CCOc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000155879121 188232309 /nfs/dbraw/zinc/23/23/09/188232309.db2.gz VBGULXSEDARPNL-CQSZACIVSA-N -1 3 292.335 2.831 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000628314941 354540833 /nfs/dbraw/zinc/54/08/33/354540833.db2.gz SPUOMVQZOTXGNY-UHFFFAOYSA-N -1 3 293.363 2.742 20 30 CFEDHM CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000633895148 356028982 /nfs/dbraw/zinc/02/89/82/356028982.db2.gz XSAQILVIZUHOGV-LLVKDONJSA-N -1 3 293.330 2.578 20 30 CFEDHM Cc1noc(C)c1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973869 541221879 /nfs/dbraw/zinc/22/18/79/541221879.db2.gz KUNQMHUGVDPGMU-UHFFFAOYSA-N -1 3 287.279 2.500 20 30 CFEDHM Cc1noc(C)c1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973869 541221880 /nfs/dbraw/zinc/22/18/80/541221880.db2.gz KUNQMHUGVDPGMU-UHFFFAOYSA-N -1 3 287.279 2.500 20 30 CFEDHM Cc1noc(C)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973869 541221881 /nfs/dbraw/zinc/22/18/81/541221881.db2.gz KUNQMHUGVDPGMU-UHFFFAOYSA-N -1 3 287.279 2.500 20 30 CFEDHM N#CC(=C([O-])c1coc(Br)c1)c1ccccn1 ZINC000073970129 541222057 /nfs/dbraw/zinc/22/20/57/541222057.db2.gz ISNICMRIYVWNOQ-VIFPVBQESA-N -1 3 291.104 2.927 20 30 CFEDHM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])cc2)no1 ZINC000275777309 193126001 /nfs/dbraw/zinc/12/60/01/193126001.db2.gz ZLHCBAGONHLYMP-OAHLLOKOSA-N -1 3 274.320 2.922 20 30 CFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000443021917 241030884 /nfs/dbraw/zinc/03/08/84/241030884.db2.gz VFHCKKPZABKLGT-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443091352 241039245 /nfs/dbraw/zinc/03/92/45/241039245.db2.gz TXRMTWBAEUXVKU-UHFFFAOYSA-N -1 3 286.784 2.680 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000444216360 241127736 /nfs/dbraw/zinc/12/77/36/241127736.db2.gz HQXGXLFAWNUULO-BXKDBHETSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)[nH]1 ZINC000674300049 541556049 /nfs/dbraw/zinc/55/60/49/541556049.db2.gz XDFQLMRRZXLPRL-LBPRGKRZSA-N -1 3 293.330 2.701 20 30 CFEDHM C=CCn1cccc1C(=O)Nc1ccc(OC)cc1[O-] ZINC000489592759 541711361 /nfs/dbraw/zinc/71/13/61/541711361.db2.gz CKELCUZMGVFUAU-UHFFFAOYSA-N -1 3 272.304 2.641 20 30 CFEDHM N#CCCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000264183218 383704800 /nfs/dbraw/zinc/70/48/00/383704800.db2.gz ZNSYNEXOHAXOLK-UHFFFAOYSA-N -1 3 272.348 2.695 20 30 CFEDHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126733784 377244753 /nfs/dbraw/zinc/24/47/53/377244753.db2.gz WSWQTGSPLIPRFY-VIFPVBQESA-N -1 3 286.784 2.536 20 30 CFEDHM N#CCOc1ccc(/C=C/C(=O)Nc2ccccc2[O-])cc1 ZINC000127476310 377284284 /nfs/dbraw/zinc/28/42/84/377284284.db2.gz HFJQFFWYCYZKQU-JXMROGBWSA-N -1 3 294.310 2.946 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000127695185 377297674 /nfs/dbraw/zinc/29/76/74/377297674.db2.gz WPYIAQLEONLHBG-LDTNDYRISA-N -1 3 277.389 2.866 20 30 CFEDHM CCCOc1ccc(/C=N/Cc2cnn(C)c2C)c([O-])c1 ZINC000132912842 377886288 /nfs/dbraw/zinc/88/62/88/377886288.db2.gz OUXCJPMZLUAXFW-RQZCQDPDSA-N -1 3 287.363 2.842 20 30 CFEDHM CC1(CNC(=O)c2csc(=O)[n-]2)Cc2ccccc2C1 ZINC000329920039 378514039 /nfs/dbraw/zinc/51/40/39/378514039.db2.gz DRFDBSSZBJSDKC-UHFFFAOYSA-N -1 3 288.372 2.958 20 30 CFEDHM C#CCN(C(=O)c1cccc(C)c1[O-])C1CCCC1 ZINC000155637893 378629324 /nfs/dbraw/zinc/62/93/24/378629324.db2.gz LQIMAFYHSVOGTC-UHFFFAOYSA-N -1 3 257.333 2.719 20 30 CFEDHM C=CCOc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000159535574 378715513 /nfs/dbraw/zinc/71/55/13/378715513.db2.gz DFQDYACJYXKLQV-UHFFFAOYSA-N -1 3 264.325 2.961 20 30 CFEDHM CC(C)C1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000339037092 220260644 /nfs/dbraw/zinc/26/06/44/220260644.db2.gz FOVDYQBZIZLORW-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000432277514 383734941 /nfs/dbraw/zinc/73/49/41/383734941.db2.gz QRNPKCIAHVGAJG-UHFFFAOYSA-N -1 3 289.347 2.845 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000172035469 379473433 /nfs/dbraw/zinc/47/34/33/379473433.db2.gz NOVOPXQVHAYFCY-ZETCQYMHSA-N -1 3 295.191 2.631 20 30 CFEDHM C=C1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000334929725 379945047 /nfs/dbraw/zinc/94/50/47/379945047.db2.gz OISFMLUCCPCENY-UHFFFAOYSA-N -1 3 265.740 2.767 20 30 CFEDHM CC[S@@](=O)[C@H]1CCC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000175896500 380151098 /nfs/dbraw/zinc/15/10/98/380151098.db2.gz KILULSIFXFDDBX-YEONLDQWSA-N -1 3 279.405 2.891 20 30 CFEDHM Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c([O-])c1O ZINC000179483390 380549118 /nfs/dbraw/zinc/54/91/18/380549118.db2.gz MZVWXIFYXQIYRA-UHFFFAOYSA-N -1 3 290.363 2.808 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000179547414 380554706 /nfs/dbraw/zinc/55/47/06/380554706.db2.gz WXRZNJVWNFRKRA-LBPRGKRZSA-N -1 3 296.326 2.978 20 30 CFEDHM N#CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000179575884 380561069 /nfs/dbraw/zinc/56/10/69/380561069.db2.gz TZPZYZWMYFVJIS-UHFFFAOYSA-N -1 3 294.310 2.970 20 30 CFEDHM Cc1cc(C#N)nc(Sc2n[n-]c(-c3ccccc3)n2)n1 ZINC000341364157 380968079 /nfs/dbraw/zinc/96/80/79/380968079.db2.gz PDBKGDZOSOJWMU-UHFFFAOYSA-N -1 3 294.343 2.593 20 30 CFEDHM Cc1c(C(=O)[N-]c2ccncc2C#N)oc2c1C(=O)CCC2 ZINC000358629347 380978811 /nfs/dbraw/zinc/97/88/11/380978811.db2.gz MALQSZNPIVCFEQ-UHFFFAOYSA-N -1 3 295.298 2.626 20 30 CFEDHM Cc1csc([N-]C(=O)c2c(C)noc2C)c1C#N ZINC000288727207 197153227 /nfs/dbraw/zinc/15/32/27/197153227.db2.gz FZXBZBSYJWAMGU-UHFFFAOYSA-N -1 3 261.306 2.785 20 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299.292 2.955 20 30 CFEDHM C#CCO[N-]C(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000291341690 381753216 /nfs/dbraw/zinc/75/32/16/381753216.db2.gz WAGFNNWMSIZRHT-GFCCVEGCSA-N -1 3 299.292 2.955 20 30 CFEDHM C#CCO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000291349293 381756950 /nfs/dbraw/zinc/75/69/50/381756950.db2.gz XAEPPXGTVHGBRW-UHFFFAOYSA-N -1 3 288.372 2.690 20 30 CFEDHM C#CCO[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000291243515 381721301 /nfs/dbraw/zinc/72/13/01/381721301.db2.gz LJGFZBBXQNXLLM-ZJUUUORDSA-N -1 3 284.142 2.778 20 30 CFEDHM N#CCCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000360238885 381773858 /nfs/dbraw/zinc/77/38/58/381773858.db2.gz UGBCZUGKDPLCPZ-UHFFFAOYSA-N -1 3 272.348 2.591 20 30 CFEDHM C=CC[C@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000186450412 381915026 /nfs/dbraw/zinc/91/50/26/381915026.db2.gz KKVKUWYTJWZXKR-LBPRGKRZSA-N -1 3 260.362 2.565 20 30 CFEDHM C=CCC[C@H](C(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000186450756 381916045 /nfs/dbraw/zinc/91/60/45/381916045.db2.gz TXVZFRQJSROGOD-ZDUSSCGKSA-N -1 3 274.389 2.955 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000351577860 382047124 /nfs/dbraw/zinc/04/71/24/382047124.db2.gz VFEKBJFBHAKXQH-UHFFFAOYSA-N -1 3 298.795 2.846 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCOC)c1ccc(C)o1 ZINC000293557297 382173751 /nfs/dbraw/zinc/17/37/51/382173751.db2.gz UMEKFMSABFGRQP-NSHDSACASA-N -1 3 287.306 2.993 20 30 CFEDHM N#CC(=C([O-])c1cncnc1)c1ccc2ccccc2n1 ZINC000680648829 542347712 /nfs/dbraw/zinc/34/77/12/542347712.db2.gz JLSFMDKYGDULBA-ZDUSSCGKSA-N -1 3 274.283 2.515 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCC1 ZINC000382857905 382537290 /nfs/dbraw/zinc/53/72/90/382537290.db2.gz VCFIOMDTLFHDNT-LBPRGKRZSA-N -1 3 298.433 2.867 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1C ZINC000190998176 382687726 /nfs/dbraw/zinc/68/77/26/382687726.db2.gz RNDYPKBFCUGLRI-LBPRGKRZSA-N -1 3 290.326 2.767 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000447941685 383033310 /nfs/dbraw/zinc/03/33/10/383033310.db2.gz FPRKLMFTTHBNLF-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM C=C(C)CON=C([O-])Nc1cccc(NC(=O)OC)c1C ZINC000496233625 383077572 /nfs/dbraw/zinc/07/75/72/383077572.db2.gz MVSWTKUXHOTCDF-UHFFFAOYSA-N -1 3 293.323 2.803 20 30 CFEDHM C=C(C)CO[N-]C(=O)Nc1cccc(NC(=O)OC)c1C ZINC000496233625 383077576 /nfs/dbraw/zinc/07/75/76/383077576.db2.gz MVSWTKUXHOTCDF-UHFFFAOYSA-N -1 3 293.323 2.803 20 30 CFEDHM C=CCCCCCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000565314989 383177756 /nfs/dbraw/zinc/17/77/56/383177756.db2.gz QNEIMLTUUDWQEQ-UHFFFAOYSA-N -1 3 276.315 2.573 20 30 CFEDHM C=CCCCCCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000565314989 383177759 /nfs/dbraw/zinc/17/77/59/383177759.db2.gz QNEIMLTUUDWQEQ-UHFFFAOYSA-N -1 3 276.315 2.573 20 30 CFEDHM C=CCCCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000565314989 383177762 /nfs/dbraw/zinc/17/77/62/383177762.db2.gz QNEIMLTUUDWQEQ-UHFFFAOYSA-N -1 3 276.315 2.573 20 30 CFEDHM C[C@@H](NCc1ncccc1[O-])c1ccc(C#N)cc1 ZINC000518746201 383206663 /nfs/dbraw/zinc/20/66/63/383206663.db2.gz LXAVZRSNGQJSSK-LLVKDONJSA-N -1 3 253.305 2.510 20 30 CFEDHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1C#N ZINC000339116580 383154555 /nfs/dbraw/zinc/15/45/55/383154555.db2.gz RKYHLHUCWFHISD-XQRVVYSFSA-N -1 3 267.288 2.541 20 30 CFEDHM CCc1cccc(C(=O)NCC(C)(C)CC#N)c1[O-] ZINC000568363648 383394080 /nfs/dbraw/zinc/39/40/80/383394080.db2.gz GBOKUUDWTWZXGL-UHFFFAOYSA-N -1 3 260.337 2.624 20 30 CFEDHM Cc1sc([N-]C(=O)c2ncncc2Cl)c(C#N)c1C ZINC000428374846 383460499 /nfs/dbraw/zinc/46/04/99/383460499.db2.gz RDUDDRQPOFVJTK-UHFFFAOYSA-N -1 3 292.751 2.932 20 30 CFEDHM [O-]c1ccccc1C=NNC(=S)Nc1ccccc1 ZINC000254835215 383471982 /nfs/dbraw/zinc/47/19/82/383471982.db2.gz BKJAPBJJTOJXEZ-UHFFFAOYSA-N -1 3 271.345 2.713 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429867457 383574984 /nfs/dbraw/zinc/57/49/84/383574984.db2.gz NDQXQMNCLVGFDA-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM COc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1OC ZINC000436238263 383791098 /nfs/dbraw/zinc/79/10/98/383791098.db2.gz KSYXRWQCXWVGRC-UHFFFAOYSA-N -1 3 298.298 2.533 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCC1 ZINC000531213102 383834376 /nfs/dbraw/zinc/83/43/76/383834376.db2.gz KHOBZFPEMPVCMY-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM CC(C)(C#N)CC(=O)Nc1c([O-])cccc1Cl ZINC000573384798 383921770 /nfs/dbraw/zinc/92/17/70/383921770.db2.gz GXQUVDBKKFODFM-UHFFFAOYSA-N -1 3 252.701 2.924 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000636822178 383890604 /nfs/dbraw/zinc/89/06/04/383890604.db2.gz CLBJNOBPTJEUHN-LLVKDONJSA-N -1 3 278.327 2.639 20 30 CFEDHM C=C(C)CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436886412 383898229 /nfs/dbraw/zinc/89/82/29/383898229.db2.gz KOHPQWMMLNWYEY-UHFFFAOYSA-N -1 3 259.349 2.919 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000437522910 383906353 /nfs/dbraw/zinc/90/63/53/383906353.db2.gz JXZLZMHKOXHCPV-CJNGLKHVSA-N -1 3 289.375 2.720 20 30 CFEDHM C=C(C)[C@H](CC(=O)NCc1ccc([O-])c(F)c1)OCC ZINC000270269233 385037439 /nfs/dbraw/zinc/03/74/39/385037439.db2.gz VPNYSQALOOEURO-AWEZNQCLSA-N -1 3 281.327 2.519 20 30 CFEDHM CC(C)(C)[C@@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000270580013 385152430 /nfs/dbraw/zinc/15/24/30/385152430.db2.gz FHUVQIBLKQYLSW-AWDHCAAQSA-N -1 3 293.363 2.816 20 30 CFEDHM CC#CC[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000270723310 385204653 /nfs/dbraw/zinc/20/46/53/385204653.db2.gz XBLBTMOBZAQEJH-UHFFFAOYSA-N -1 3 257.667 2.571 20 30 CFEDHM CCN(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000270916471 385269683 /nfs/dbraw/zinc/26/96/83/385269683.db2.gz QWFDDPJYSKQLQQ-UHFFFAOYSA-N -1 3 272.348 2.647 20 30 CFEDHM COCc1ncsc1C(=O)[N-]c1scc(C)c1C#N ZINC000288958964 197200529 /nfs/dbraw/zinc/20/05/29/197200529.db2.gz ZANBFDFVSYFDNM-UHFFFAOYSA-N -1 3 293.373 2.783 20 30 CFEDHM Cc1nsc([N-]c2cc3n(n2)CCCC3)c1C#N ZINC000288318635 197050638 /nfs/dbraw/zinc/05/06/38/197050638.db2.gz CZPDJYHOQJZJQI-UHFFFAOYSA-N -1 3 259.338 2.600 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1cc([O-])ccc1Br ZINC000093090986 393794687 /nfs/dbraw/zinc/79/46/87/393794687.db2.gz VLNCTCXNVRHKTI-VIFPVBQESA-N -1 3 283.169 2.889 20 30 CFEDHM CC(C)C[C@H](CNCc1ccc(C#N)cc1F)CC(=O)[O-] ZINC000417546174 393972985 /nfs/dbraw/zinc/97/29/85/393972985.db2.gz LQUPTCYKSUBKQT-ZDUSSCGKSA-N -1 3 292.354 2.924 20 30 CFEDHM Cn1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1C#N ZINC000417602942 393982190 /nfs/dbraw/zinc/98/21/90/393982190.db2.gz PXBGDGWXUALKEG-INIZCTEOSA-N -1 3 297.358 2.592 20 30 CFEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1ccncn1 ZINC000354462873 394047164 /nfs/dbraw/zinc/04/71/64/394047164.db2.gz IQFQMJXZLSWZJT-LLVKDONJSA-N -1 3 257.680 2.620 20 30 CFEDHM CCN(CC#N)Cc1ccc(OC)c([O-])c1Br ZINC000355379184 394064219 /nfs/dbraw/zinc/06/42/19/394064219.db2.gz GEDAIILVADQOGX-UHFFFAOYSA-N -1 3 299.168 2.509 20 30 CFEDHM COC(=O)N1CCC([C@@H](C)/N=C\c2ccccc2[O-])CC1 ZINC000492532397 394070333 /nfs/dbraw/zinc/07/03/33/394070333.db2.gz OPUAIHIVTQGCSQ-ZSAINHDTSA-N -1 3 290.363 2.678 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000359447922 394134980 /nfs/dbraw/zinc/13/49/80/394134980.db2.gz VGCWARWJCQOPEM-UHFFFAOYSA-N -1 3 264.712 2.587 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccccc1OCC ZINC000493388759 394228753 /nfs/dbraw/zinc/22/87/53/394228753.db2.gz QZQASQAZUIINDN-WEHUKYGOSA-N -1 3 261.321 2.721 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1cc(C)ccc1OC ZINC000493398652 394231769 /nfs/dbraw/zinc/23/17/69/394231769.db2.gz WTOBFGQSLPFUDV-YPUOHESYSA-N -1 3 261.321 2.639 20 30 CFEDHM CC#CCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000156522889 394335234 /nfs/dbraw/zinc/33/52/34/394335234.db2.gz SJNOGTDOVSNBQH-UHFFFAOYSA-N -1 3 271.360 2.700 20 30 CFEDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000547387664 394864014 /nfs/dbraw/zinc/86/40/14/394864014.db2.gz WTYCLQLEMHQZIH-JTQLQIEISA-N -1 3 296.367 2.554 20 30 CFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2C[C@H]2C)no1 ZINC000546473403 394827019 /nfs/dbraw/zinc/82/70/19/394827019.db2.gz PNWBFLCYJYGALP-PELKAZGASA-N -1 3 298.346 2.567 20 30 CFEDHM C=C(CC)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656768688 413201648 /nfs/dbraw/zinc/20/16/48/413201648.db2.gz WIHSYYRZVUSGFS-HZSPNIEDSA-N -1 3 251.370 2.918 20 30 CFEDHM CC[C@@H](C)c1cc(C(=O)[N-]c2ccncc2C#N)on1 ZINC000356159279 155173539 /nfs/dbraw/zinc/17/35/39/155173539.db2.gz BPBMBAZCLPCLCJ-SECBINFHSA-N -1 3 270.292 2.707 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cc(C#N)ccc2Cl)n1 ZINC000355494934 155023614 /nfs/dbraw/zinc/02/36/14/155023614.db2.gz GJHROTJXBWFOHQ-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM O=C(c1c[nH]cn1)N([O-])Cc1cccc2ccccc21 ZINC000900091733 620636409 /nfs/dbraw/zinc/63/64/09/620636409.db2.gz KOEVCPVWZIBKIE-UHFFFAOYSA-N -1 3 267.288 2.595 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([O-])c(F)c1 ZINC000664192699 413629465 /nfs/dbraw/zinc/62/94/65/413629465.db2.gz LTNKYVXCBRNAOW-BETUJISGSA-N -1 3 290.338 2.924 20 30 CFEDHM C=CCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000661569938 414053444 /nfs/dbraw/zinc/05/34/44/414053444.db2.gz GGHDMHTZLCOOAA-UHFFFAOYSA-N -1 3 299.168 2.530 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000662091529 414406749 /nfs/dbraw/zinc/40/67/49/414406749.db2.gz ZMXNDQOBIDCXLC-RWMBFGLXSA-N -1 3 259.353 2.735 20 30 CFEDHM N#CCc1ccc(C[S@](=O)c2cccc([O-])c2)cc1 ZINC000350505272 227026262 /nfs/dbraw/zinc/02/62/62/227026262.db2.gz CSZPVEOIFQRJFJ-IBGZPJMESA-N -1 3 271.341 2.766 20 30 CFEDHM N#CCC[C@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000350641764 227047279 /nfs/dbraw/zinc/04/72/79/227047279.db2.gz LBWUEFDOICUWPN-NSHDSACASA-N -1 3 287.344 2.624 20 30 CFEDHM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1ccccn1 ZINC000354864793 227182194 /nfs/dbraw/zinc/18/21/94/227182194.db2.gz ZSCNNPLWIGMNNW-GFCCVEGCSA-N -1 3 281.315 2.821 20 30 CFEDHM N#C[C@]1(C(=O)Nc2cccc([O-])c2F)CC12CCCC2 ZINC000336185959 228208552 /nfs/dbraw/zinc/20/85/52/228208552.db2.gz HPNCLRPQIPOVFF-HNNXBMFYSA-N -1 3 274.295 2.944 20 30 CFEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336196255 228210287 /nfs/dbraw/zinc/21/02/87/228210287.db2.gz KASZVAOXVSOLOG-JMCQJSRRSA-N -1 3 284.237 2.899 20 30 CFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000050391576 260207563 /nfs/dbraw/zinc/20/75/63/260207563.db2.gz SOXNHERTIFVKFQ-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000050391577 260207687 /nfs/dbraw/zinc/20/76/87/260207687.db2.gz SOXNHERTIFVKFQ-SSDOTTSWSA-N -1 3 293.175 2.574 20 30 CFEDHM CN1C[C@H](/N=C/c2c([O-])ccc3ccccc32)CCC1=O ZINC000078022772 260299096 /nfs/dbraw/zinc/29/90/96/260299096.db2.gz HIOHVSBIJAMOTO-HVOBPNNYSA-N -1 3 282.343 2.585 20 30 CFEDHM C[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448812412 260797328 /nfs/dbraw/zinc/79/73/28/260797328.db2.gz NXKNFODRDXXNMI-NSHDSACASA-N -1 3 268.316 2.506 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\SCc1ccco1 ZINC000493455863 262268558 /nfs/dbraw/zinc/26/85/58/262268558.db2.gz OKLTXUUPZZHQPU-BJPMOSCESA-N -1 3 253.323 2.649 20 30 CFEDHM CC(C)(C#N)CCCCS(=O)(=O)c1cccc([O-])c1 ZINC000278154282 263045713 /nfs/dbraw/zinc/04/57/13/263045713.db2.gz CFUASLAAGMWBHB-UHFFFAOYSA-N -1 3 281.377 2.886 20 30 CFEDHM N#CC1CCC(C/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000281838839 263072275 /nfs/dbraw/zinc/07/22/75/263072275.db2.gz SRWKARXSRSYBKX-RQZCQDPDSA-N -1 3 274.320 2.552 20 30 CFEDHM CCc1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1[O-] ZINC000297004391 263199810 /nfs/dbraw/zinc/19/98/10/263199810.db2.gz SOVAIXPAPZYGFJ-FZMZJTMJSA-N -1 3 272.348 2.767 20 30 CFEDHM CC(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000340875090 263310590 /nfs/dbraw/zinc/31/05/90/263310590.db2.gz LIIBXVRWMMGEBG-CQSZACIVSA-N -1 3 264.284 2.774 20 30 CFEDHM C=CCCCN(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000341935346 263367340 /nfs/dbraw/zinc/36/73/40/263367340.db2.gz NKEQRQHGEKRDHS-UHFFFAOYSA-N -1 3 284.359 2.875 20 30 CFEDHM CCc1onc(C)c1C(=O)[N-]c1snc(C)c1C#N ZINC000331160780 264142537 /nfs/dbraw/zinc/14/25/37/264142537.db2.gz WYZBACRCJZRRIC-UHFFFAOYSA-N -1 3 276.321 2.818 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H](C)C[C@H]2CCCO2)c1 ZINC000331224840 264149934 /nfs/dbraw/zinc/14/99/34/264149934.db2.gz BOOUPCIDRDAWLV-VXGBXAGGSA-N -1 3 263.337 2.963 20 30 CFEDHM COC[C@@H](C)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331229910 264152072 /nfs/dbraw/zinc/15/20/72/264152072.db2.gz GZBGUGUIDIRGFT-JTQLQIEISA-N -1 3 293.363 2.693 20 30 CFEDHM COc1cc(C)cnc1C(=O)[N-]c1c(C)noc1C ZINC000331183841 264155744 /nfs/dbraw/zinc/15/57/44/264155744.db2.gz YCVUPUYRLMVOHP-UHFFFAOYSA-N -1 3 261.281 2.640 20 30 CFEDHM CCc1ccc(C(=O)NC[C@@H]2CCCCO2)c([O-])c1 ZINC000331235491 264174472 /nfs/dbraw/zinc/17/44/72/264174472.db2.gz LPFQEPUZQMZITB-LBPRGKRZSA-N -1 3 263.337 2.828 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000291896358 264846395 /nfs/dbraw/zinc/84/63/95/264846395.db2.gz PPKYTXXRSNGDKW-UHFFFAOYSA-N -1 3 297.273 2.951 20 30 CFEDHM CC[C@H](c1ccccc1[O-])N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369927458 267277090 /nfs/dbraw/zinc/27/70/90/267277090.db2.gz AGENZMNAOIFFFE-GDBMZVCRSA-N -1 3 285.391 2.515 20 30 CFEDHM CCc1ccc([O-])c(NC(=O)c2ccc(C#N)c(C)n2)c1 ZINC000074826105 280505681 /nfs/dbraw/zinc/50/56/81/280505681.db2.gz QOHFPINFXZRCQY-UHFFFAOYSA-N -1 3 281.315 2.782 20 30 CFEDHM COc1ccc(NC(=O)/C=C/c2cccc(C#N)c2)c([O-])c1 ZINC000135456248 280773311 /nfs/dbraw/zinc/77/33/11/280773311.db2.gz AZICRBAGZIUBOI-VMPITWQZSA-N -1 3 294.310 2.924 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(COC)n2)s1 ZINC000548519191 281790882 /nfs/dbraw/zinc/79/08/82/281790882.db2.gz LHFMQWFSUBNISQ-UHFFFAOYSA-N -1 3 291.332 2.569 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000334656279 293049714 /nfs/dbraw/zinc/04/97/14/293049714.db2.gz SXOZCUCOHAGJBC-UHFFFAOYSA-N -1 3 284.406 2.561 20 30 CFEDHM O=C(N[C@H]1CC12CCCCC2)c1csc(=O)[n-]1 ZINC000329982032 295386093 /nfs/dbraw/zinc/38/60/93/295386093.db2.gz OJNASGRBFFXKFL-VIFPVBQESA-N -1 3 252.339 2.876 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2cn(C3CCC3)nn2)cc(O)c1[O-] ZINC000828140800 782075759 /nfs/dbraw/zinc/07/57/59/782075759.db2.gz UJFGHQVMBNUAMO-AATRIKPKSA-N -1 3 299.330 2.619 20 30 CFEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1ccccn1 ZINC000531783211 328033690 /nfs/dbraw/zinc/03/36/90/328033690.db2.gz ATAZEXNYSHUKLB-ZDUSSCGKSA-N -1 3 263.300 2.844 20 30 CFEDHM C[C@H](C#N)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000571153146 328088712 /nfs/dbraw/zinc/08/87/12/328088712.db2.gz AFMSALIFEGNPRU-GFCCVEGCSA-N -1 3 282.343 2.754 20 30 CFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C#N)CC3)nc2)n1 ZINC000571544514 328132827 /nfs/dbraw/zinc/13/28/27/328132827.db2.gz HPWSUJKSRORPAX-UHFFFAOYSA-N -1 3 295.346 2.522 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC[C@H](C)CC2)c1[O-] ZINC000264569426 328160415 /nfs/dbraw/zinc/16/04/15/328160415.db2.gz UBSJUCRUOSEERR-RYSDLRFVSA-N -1 3 262.353 2.586 20 30 CFEDHM N#Cc1cccc(C[S@@](=O)c2cccc([O-])c2)c1 ZINC000184061143 323934694 /nfs/dbraw/zinc/93/46/94/323934694.db2.gz QDNNUHHDOLAKSP-GOSISDBHSA-N -1 3 257.314 2.572 20 30 CFEDHM CCc1onc(C)c1[N-]C(=O)c1cccc(F)c1C#N ZINC000188869780 324021626 /nfs/dbraw/zinc/02/16/26/324021626.db2.gz UVAQJFHFKVFQOS-UHFFFAOYSA-N -1 3 273.267 2.809 20 30 CFEDHM N#Cc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1F ZINC000191200531 324046557 /nfs/dbraw/zinc/04/65/57/324046557.db2.gz RFXAMCIYZPGYIA-LJQANCHMSA-N -1 3 275.304 2.711 20 30 CFEDHM Cc1nsc([N-]C(=O)c2nc3c(s2)CCC3)c1C#N ZINC000582653880 325222894 /nfs/dbraw/zinc/22/28/94/325222894.db2.gz QDFQGBZYVWRLGK-UHFFFAOYSA-N -1 3 290.373 2.521 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000184719500 328535341 /nfs/dbraw/zinc/53/53/41/328535341.db2.gz RAEWBAQTNUOWOJ-SNVBAGLBSA-N -1 3 251.301 2.750 20 30 CFEDHM CCCn1nccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000569356492 327161891 /nfs/dbraw/zinc/16/18/91/327161891.db2.gz CWOZMUGWYPKXKX-NSHDSACASA-N -1 3 293.330 2.659 20 30 CFEDHM CCCN(CC#N)Cc1cc(Br)ccc1[O-] ZINC000092397935 327194045 /nfs/dbraw/zinc/19/40/45/327194045.db2.gz PHWOFSOPHCJXTK-UHFFFAOYSA-N -1 3 283.169 2.890 20 30 CFEDHM C[C@@](C#N)(NC(=O)c1cccc2nn[n-]c21)C1CCCCC1 ZINC000559667582 327257515 /nfs/dbraw/zinc/25/75/15/327257515.db2.gz MFEUOXAGFZTVFL-INIZCTEOSA-N -1 3 297.362 2.550 20 30 CFEDHM C[C@@](C#N)(NC(=O)c1cccc2[n-]nnc21)C1CCCCC1 ZINC000559667582 327257516 /nfs/dbraw/zinc/25/75/16/327257516.db2.gz MFEUOXAGFZTVFL-INIZCTEOSA-N -1 3 297.362 2.550 20 30 CFEDHM C[C@@](C#N)(NC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000559667582 327257518 /nfs/dbraw/zinc/25/75/18/327257518.db2.gz MFEUOXAGFZTVFL-INIZCTEOSA-N -1 3 297.362 2.550 20 30 CFEDHM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000560528746 327319194 /nfs/dbraw/zinc/31/91/94/327319194.db2.gz RBUXCPIEEKDFNY-NSHDSACASA-N -1 3 267.288 2.746 20 30 CFEDHM CCC1(NC(=O)c2cc(OC)ccc2[O-])CCOCC1 ZINC000331223751 327387219 /nfs/dbraw/zinc/38/72/19/327387219.db2.gz APEVTCQWRLHQRK-UHFFFAOYSA-N -1 3 279.336 2.665 20 30 CFEDHM CCO[C@@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C12CCC2 ZINC000125182301 327390884 /nfs/dbraw/zinc/39/08/84/327390884.db2.gz DLCDRZHBPJPNMF-SSTXIFODSA-N -1 3 291.347 2.570 20 30 CFEDHM CCc1ccc(C([O-])=C(C#N)c2ccccn2)c(C)n1 ZINC000184550920 329259645 /nfs/dbraw/zinc/25/96/45/329259645.db2.gz ILEDMNBXAGRHKF-CQSZACIVSA-N -1 3 265.316 2.838 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)ccc1[N+](=O)[O-] ZINC000046439798 329608697 /nfs/dbraw/zinc/60/86/97/329608697.db2.gz UEYWWYIDOHHDCN-LBPRGKRZSA-N -1 3 281.271 2.788 20 30 CFEDHM C=CCN(Cc1cccs1)CC1(CC(=O)[O-])CC1 ZINC000572370608 330010318 /nfs/dbraw/zinc/01/03/18/330010318.db2.gz XQFRLEYWSZDGGR-UHFFFAOYSA-N -1 3 265.378 2.991 20 30 CFEDHM CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(C)c1[O-] ZINC000119013324 330368849 /nfs/dbraw/zinc/36/88/49/330368849.db2.gz CFXZYPMPNFONOP-SNVBAGLBSA-N -1 3 260.337 2.631 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000120081871 330385395 /nfs/dbraw/zinc/38/53/95/330385395.db2.gz OKQGNKDPJNCKNV-UHFFFAOYSA-N -1 3 278.333 2.659 20 30 CFEDHM C=C(CNC(=O)c1c([O-])cccc1O)c1ccccc1 ZINC000436735710 330683873 /nfs/dbraw/zinc/68/38/73/330683873.db2.gz MRRGXYXKNJHYBL-UHFFFAOYSA-N -1 3 269.300 2.541 20 30 CFEDHM N#C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000448944854 330889148 /nfs/dbraw/zinc/88/91/48/330889148.db2.gz UCFZHLUVMZHWMS-MRXNPFEDSA-N -1 3 294.354 2.896 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@]3(C#N)C[C@H]3C)[nH][n-]2)c1 ZINC000449835302 330951703 /nfs/dbraw/zinc/95/17/03/330951703.db2.gz OJICYHHXWJIFAD-PXAZEXFGSA-N -1 3 294.358 2.604 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000450989140 331010573 /nfs/dbraw/zinc/01/05/73/331010573.db2.gz DJQBJQOAUBPEBL-GXFFZTMASA-N -1 3 298.433 2.807 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000452037945 331051445 /nfs/dbraw/zinc/05/14/45/331051445.db2.gz CSYOXEBWHOUBNM-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM Cc1sccc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000453588932 331135115 /nfs/dbraw/zinc/13/51/15/331135115.db2.gz ZSEBKQDCXMUXSR-LBPRGKRZSA-N -1 3 271.345 2.953 20 30 CFEDHM C=CCC1(CNC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000456485248 331193814 /nfs/dbraw/zinc/19/38/14/331193814.db2.gz LDDRZLCQKPOYFX-UHFFFAOYSA-N -1 3 284.363 2.824 20 30 CFEDHM C=C(CC)CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000456810992 331204848 /nfs/dbraw/zinc/20/48/48/331204848.db2.gz IDUZKQUQBWRRKK-UHFFFAOYSA-N -1 3 273.336 2.658 20 30 CFEDHM C=C(CC)CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000456810992 331204849 /nfs/dbraw/zinc/20/48/49/331204849.db2.gz IDUZKQUQBWRRKK-UHFFFAOYSA-N -1 3 273.336 2.658 20 30 CFEDHM CCN(CC#N)Cc1cccc([O-])c1Br ZINC000459333530 331276495 /nfs/dbraw/zinc/27/64/95/331276495.db2.gz YYLPFCOVHBCMBA-UHFFFAOYSA-N -1 3 269.142 2.500 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472323178 331535463 /nfs/dbraw/zinc/53/54/63/331535463.db2.gz DPGMVLUMKXLYLF-QMMMGPOBSA-N -1 3 283.324 2.733 20 30 CFEDHM COc1cc(C)sc1C([O-])=C(C#N)c1ccccn1 ZINC000114049139 533711749 /nfs/dbraw/zinc/71/17/49/533711749.db2.gz GSXCUANYJPIXGO-JTQLQIEISA-N -1 3 272.329 2.950 20 30 CFEDHM C#CCN(C(=O)c1ccc(OC)cc1[O-])C1CCCCC1 ZINC000490915039 332128624 /nfs/dbraw/zinc/12/86/24/332128624.db2.gz LCAJPHBRQBGBKM-UHFFFAOYSA-N -1 3 287.359 2.809 20 30 CFEDHM C#C[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(F)cc1 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COC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000193252278 333246480 /nfs/dbraw/zinc/24/64/80/333246480.db2.gz WGBCNVHALZCAFZ-ZDUSSCGKSA-N -1 3 295.298 2.750 20 30 CFEDHM COc1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000080255748 334168504 /nfs/dbraw/zinc/16/85/04/334168504.db2.gz HECABWKKJBSEPJ-JTQLQIEISA-N -1 3 258.302 2.642 20 30 CFEDHM Cc1ccc(C(=O)N(CCC#N)C(C)C)c([O-])c1C ZINC000564747129 334519008 /nfs/dbraw/zinc/51/90/08/334519008.db2.gz XLLSBLLUAUXGOB-UHFFFAOYSA-N -1 3 260.337 2.773 20 30 CFEDHM CC(=O)c1[n-]c(=NCc2ccc(CC#N)cc2)sc1C ZINC000577218325 335324552 /nfs/dbraw/zinc/32/45/52/335324552.db2.gz UUSQRNQXELNPKH-UHFFFAOYSA-N -1 3 285.372 2.754 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000577484455 335357189 /nfs/dbraw/zinc/35/71/89/335357189.db2.gz IGZYWOGPKFPQPF-GUYCJALGSA-N -1 3 297.354 2.866 20 30 CFEDHM C=C(C)[C@H](Cc1nc(-c2ccc3n[n-]nc3c2)no1)OCC ZINC000350520747 335509212 /nfs/dbraw/zinc/50/92/12/335509212.db2.gz RXYSXUSUSNZZMY-ZDUSSCGKSA-N -1 3 299.334 2.532 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000230349426 520735076 /nfs/dbraw/zinc/73/50/76/520735076.db2.gz DNPRLXFMYHRDDG-UHFFFAOYSA-N -1 3 298.433 2.868 20 30 CFEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000227300208 520767655 /nfs/dbraw/zinc/76/76/55/520767655.db2.gz KGSAZLMHZNZNCF-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM CCc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1[O-] ZINC000362503519 523768439 /nfs/dbraw/zinc/76/84/39/523768439.db2.gz XPPGDWRACQSZNQ-UHFFFAOYSA-N -1 3 280.327 2.756 20 30 CFEDHM N#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000334844922 534746579 /nfs/dbraw/zinc/74/65/79/534746579.db2.gz XXKJQXWEKBJFLC-AWEZNQCLSA-N -1 3 266.300 2.577 20 30 CFEDHM Cc1ccc(NC(=O)c2ncc(C#N)cc2Cl)c([O-])c1 ZINC000340032816 525258611 /nfs/dbraw/zinc/25/86/11/525258611.db2.gz IHMOUGSCWPWSTE-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000360459248 525665579 /nfs/dbraw/zinc/66/55/79/525665579.db2.gz KDRLKBNYSIJQOL-UHFFFAOYSA-N -1 3 292.298 2.701 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F ZINC000336452662 526685356 /nfs/dbraw/zinc/68/53/56/526685356.db2.gz JMLQQGOVHZILLD-UHFFFAOYSA-N -1 3 294.282 2.637 20 30 CFEDHM C=CCCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000344460561 527216562 /nfs/dbraw/zinc/21/65/62/527216562.db2.gz REEJNHLCIGPFKX-UHFFFAOYSA-N -1 3 253.729 2.671 20 30 CFEDHM CC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCCC1 ZINC000178519427 528034659 /nfs/dbraw/zinc/03/46/59/528034659.db2.gz XOFBUWZDLZVGDN-UHFFFAOYSA-N -1 3 296.367 2.698 20 30 CFEDHM CC1CCC(OCC(=O)[N-]c2nncn2C2CC2)CC1 ZINC000329113296 528208005 /nfs/dbraw/zinc/20/80/05/528208005.db2.gz LETYTQPFQFZJRR-UHFFFAOYSA-N -1 3 278.356 2.796 20 30 CFEDHM CCN(CCC#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344862302 528353739 /nfs/dbraw/zinc/35/37/39/528353739.db2.gz ONFCHSBYRBUNGV-UHFFFAOYSA-N -1 3 278.327 2.616 20 30 CFEDHM CC(=CC([O-])=C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038924 574049990 /nfs/dbraw/zinc/04/99/90/574049990.db2.gz DHQGHKJEAYGFNY-LMMOQWNQSA-N -1 3 285.347 2.721 20 30 CFEDHM C=C(C)CNC(=S)Nc1ccc(Cl)cc1[O-] ZINC000753900986 574053984 /nfs/dbraw/zinc/05/39/84/574053984.db2.gz DSVZUEYRAUWMRI-UHFFFAOYSA-N -1 3 256.758 2.908 20 30 CFEDHM CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736444636 574055229 /nfs/dbraw/zinc/05/52/29/574055229.db2.gz HZOJKFMYNLGTAA-UHFFFAOYSA-N -1 3 298.350 2.647 20 30 CFEDHM CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736444636 574055230 /nfs/dbraw/zinc/05/52/30/574055230.db2.gz HZOJKFMYNLGTAA-UHFFFAOYSA-N -1 3 298.350 2.647 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1ccccc1F ZINC000753955312 574058967 /nfs/dbraw/zinc/05/89/67/574058967.db2.gz LSTIRJUZOACKRO-UHFFFAOYSA-N -1 3 273.242 2.733 20 30 CFEDHM Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728231223 574088191 /nfs/dbraw/zinc/08/81/91/574088191.db2.gz KEXFHRRFFOQOBK-ALCCZGGFSA-N -1 3 256.305 2.937 20 30 CFEDHM CC(=O)c1cc(F)cc(CN(C[C@H](C)C#N)C2CC2)c1[O-] ZINC000754369735 574091787 /nfs/dbraw/zinc/09/17/87/574091787.db2.gz XQKLECDAGGXARZ-SNVBAGLBSA-N 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3 295.346 2.737 20 30 CFEDHM N#Cc1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000731910172 574133273 /nfs/dbraw/zinc/13/32/73/574133273.db2.gz MZYJSHIDNOEHGY-UHFFFAOYSA-N -1 3 259.286 2.682 20 30 CFEDHM CN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737471654 574144337 /nfs/dbraw/zinc/14/43/37/574144337.db2.gz CADOCMBYDXYZQO-MRXNPFEDSA-N -1 3 298.317 2.955 20 30 CFEDHM C#CCOc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732290647 574150485 /nfs/dbraw/zinc/15/04/85/574150485.db2.gz VQFGSZUZUNTUTE-UHFFFAOYSA-N -1 3 273.313 2.718 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNCc1ccc(F)c(F)c1 ZINC000755657120 574175996 /nfs/dbraw/zinc/17/59/96/574175996.db2.gz MDQRUMWANITAAP-UHFFFAOYSA-N -1 3 280.249 2.933 20 30 CFEDHM Cc1ncc(C=CC([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899658 574177083 /nfs/dbraw/zinc/17/70/83/574177083.db2.gz AAYIJDPHQXKCPJ-ZFDPJTLLSA-N -1 3 298.371 2.748 20 30 CFEDHM Cc1ccc([O-])c(C=NNCCCc2ccccc2)n1 ZINC000729146470 574179341 /nfs/dbraw/zinc/17/93/41/574179341.db2.gz YTMINSZCXOFFKZ-UHFFFAOYSA-N -1 3 269.348 2.652 20 30 CFEDHM CCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccn1 ZINC000729150356 574179841 /nfs/dbraw/zinc/17/98/41/574179841.db2.gz USRQJLAYWPLQIY-VYXQJKENSA-N -1 3 299.374 2.943 20 30 CFEDHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738716830 574182168 /nfs/dbraw/zinc/18/21/68/574182168.db2.gz CYVDRGKKMGKWJD-MRXNPFEDSA-N -1 3 280.327 2.782 20 30 CFEDHM [O-]c1ccc(C=NNc2cc(F)c(F)c(F)c2)nc1 ZINC000755756168 574184587 /nfs/dbraw/zinc/18/45/87/574184587.db2.gz RUGXLHWWUAGTRU-UHFFFAOYSA-N -1 3 267.210 2.651 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\C[C@@H]2OCCc3ccccc32)c1O ZINC000733081182 574187230 /nfs/dbraw/zinc/18/72/30/574187230.db2.gz QFOYGKWQFNMXIK-QJVAEYLJSA-N -1 3 299.326 2.536 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NOCC(F)(F)F ZINC000755795739 574188100 /nfs/dbraw/zinc/18/81/00/574188100.db2.gz GDCZRWJAJQQWGP-UHFFFAOYSA-N -1 3 253.607 2.958 20 30 CFEDHM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000755819782 574189707 /nfs/dbraw/zinc/18/97/07/574189707.db2.gz GVXIXYDLXAYHBV-LLVKDONJSA-N -1 3 282.290 2.595 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739054093 574194591 /nfs/dbraw/zinc/19/45/91/574194591.db2.gz OPVCTRMABGUJIZ-OCCSQVGLSA-N -1 3 287.363 2.599 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNc1cc(F)c(F)c(F)c1 ZINC000747638248 574204633 /nfs/dbraw/zinc/20/46/33/574204633.db2.gz JVJZWKSUFYLHLT-UHFFFAOYSA-N -1 3 282.221 2.961 20 30 CFEDHM C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@H](C)C1 ZINC000747754329 574210690 /nfs/dbraw/zinc/21/06/90/574210690.db2.gz VOTJVXAIYZVJPH-CHWSQXEVSA-N -1 3 294.420 2.918 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000739425256 574213572 /nfs/dbraw/zinc/21/35/72/574213572.db2.gz CTZBQVNKIBUYEX-KGMVIXIZSA-N -1 3 276.380 2.832 20 30 CFEDHM C=CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000756379464 574230939 /nfs/dbraw/zinc/23/09/39/574230939.db2.gz MRMQFADQUALULU-GFCCVEGCSA-N -1 3 298.726 2.757 20 30 CFEDHM N#Cc1ccc(CNCC2(NC(=O)[O-])CCCCC2)cc1 ZINC000740313946 574246753 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574303152 /nfs/dbraw/zinc/30/31/52/574303152.db2.gz IRTYPUSLEYPFOT-LFIBNONCSA-N -1 3 263.337 2.779 20 30 CFEDHM CCOc1ccc(/C=N/C2CCC(C)(O)CC2)c([O-])c1 ZINC000749844095 574312662 /nfs/dbraw/zinc/31/26/62/574312662.db2.gz HKOWRHFRQXGHSP-GZTJUZNOSA-N -1 3 277.364 2.903 20 30 CFEDHM [O-]c1c(F)cc(C=NN=c2[nH]c3ccccc3[nH]2)cc1F ZINC000749857358 574313015 /nfs/dbraw/zinc/31/30/15/574313015.db2.gz CUSKIYGPMYLFNF-UHFFFAOYSA-N -1 3 288.257 2.993 20 30 CFEDHM C=CCCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000735412951 574322823 /nfs/dbraw/zinc/32/28/23/574322823.db2.gz NGIJIDPCXUNBDE-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=CCCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000735412951 574322826 /nfs/dbraw/zinc/32/28/26/574322826.db2.gz NGIJIDPCXUNBDE-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=CCCN(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413706 574322984 /nfs/dbraw/zinc/32/29/84/574322984.db2.gz YHINSTLCVPNLSB-UHFFFAOYSA-N -1 3 271.368 2.905 20 30 CFEDHM C=CCCN(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413706 574322986 /nfs/dbraw/zinc/32/29/86/574322986.db2.gz YHINSTLCVPNLSB-UHFFFAOYSA-N -1 3 271.368 2.905 20 30 CFEDHM C=CCCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000735412624 574322995 /nfs/dbraw/zinc/32/29/95/574322995.db2.gz FUDVODNAPSLZLR-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM C=CCCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000735412624 574322996 /nfs/dbraw/zinc/32/29/96/574322996.db2.gz FUDVODNAPSLZLR-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM O=C1Nc2ccccc2C1=N[N-]c1c(F)cccc1F ZINC000735614865 574331513 /nfs/dbraw/zinc/33/15/13/574331513.db2.gz DWNZLGBZJHRANH-UHFFFAOYSA-N -1 3 273.242 2.733 20 30 CFEDHM C=C(Cl)COC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000735958647 574344119 /nfs/dbraw/zinc/34/41/19/574344119.db2.gz PJBDAUIHUHURAG-UHFFFAOYSA-N -1 3 262.696 2.986 20 30 CFEDHM Cc1cccc(F)c1C/N=C/c1c([O-])c(C)ncc1CO ZINC000743042512 574352163 /nfs/dbraw/zinc/35/21/63/574352163.db2.gz LSRIBOMHSBYQHJ-QGMBQPNBSA-N -1 3 288.322 2.655 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=C3CCCC3)nc1-2 ZINC000750721182 574352462 /nfs/dbraw/zinc/35/24/62/574352462.db2.gz BHBZIPIZIRVHIP-LBPRGKRZSA-N -1 3 280.331 2.943 20 30 CFEDHM CCC(CC)(C/N=C/c1c([O-])c(C)ncc1CO)SC ZINC000743044460 574352521 /nfs/dbraw/zinc/35/25/21/574352521.db2.gz KAZCBCJQRDMLQO-LZYBPNLTSA-N -1 3 296.436 2.929 20 30 CFEDHM CC(C)(C)SCCN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736286469 574359691 /nfs/dbraw/zinc/35/96/91/574359691.db2.gz HVBBEEPBRJQXER-ZDUSSCGKSA-N -1 3 292.404 2.805 20 30 CFEDHM [O-]c1ccccc1/C=N/CCN1Cc2ccccc2C1 ZINC000743539199 574368255 /nfs/dbraw/zinc/36/82/55/574368255.db2.gz XAMQRAVHFCYJCR-WOJGMQOQSA-N -1 3 266.344 2.827 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn[nH]c1 ZINC000751521264 574378152 /nfs/dbraw/zinc/37/81/52/574378152.db2.gz FKNQGKXEWYITJI-WDTYERQASA-N -1 3 258.252 2.638 20 30 CFEDHM CCOC(=O)[C@H](CC1CC1)/N=C/c1c([O-])cccc1OC ZINC000751889413 574384313 /nfs/dbraw/zinc/38/43/13/574384313.db2.gz BDSQTDXCTRFBHJ-VZWMTCDZSA-N -1 3 291.347 2.552 20 30 CFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(C#N)[n-]2)c1 ZINC000752494908 574392040 /nfs/dbraw/zinc/39/20/40/574392040.db2.gz DMFBYUXZJIAYKX-GFCCVEGCSA-N -1 3 294.310 2.816 20 30 CFEDHM COc1cccc([O-])c1/C=N/CC1(C)CCOCC1 ZINC000753137580 574399144 /nfs/dbraw/zinc/39/91/44/574399144.db2.gz IRUCFBMHHZUKKI-MHWRWJLKSA-N -1 3 263.337 2.636 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894087 608332029 /nfs/dbraw/zinc/33/20/29/608332029.db2.gz HFDWYGRGQLQXBN-LLVKDONJSA-N -1 3 286.335 2.768 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894087 608332030 /nfs/dbraw/zinc/33/20/30/608332030.db2.gz HFDWYGRGQLQXBN-LLVKDONJSA-N -1 3 286.335 2.768 20 30 CFEDHM C=CCCSCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819739725 607366917 /nfs/dbraw/zinc/36/69/17/607366917.db2.gz FHVNQVYXGDJIAP-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C=CCCSCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819739725 607366918 /nfs/dbraw/zinc/36/69/18/607366918.db2.gz FHVNQVYXGDJIAP-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC000935462658 649910469 /nfs/dbraw/zinc/91/04/69/649910469.db2.gz KLJKZPMWLXQEMZ-MRVPVSSYSA-N -1 3 287.693 2.578 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822378559 607462357 /nfs/dbraw/zinc/46/23/57/607462357.db2.gz BJPMQLAWFWRZPU-PLNGDYQASA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822378559 607462359 /nfs/dbraw/zinc/46/23/59/607462359.db2.gz BJPMQLAWFWRZPU-PLNGDYQASA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832977953 601298430 /nfs/dbraw/zinc/29/84/30/601298430.db2.gz AGWNLXSTQMJKTP-INIZCTEOSA-N -1 3 280.327 2.782 20 30 CFEDHM CC1(C)CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833560218 604607565 /nfs/dbraw/zinc/60/75/65/604607565.db2.gz HTTINODORCYRFU-UHFFFAOYSA-N -1 3 258.321 2.631 20 30 CFEDHM CCCCCCCC[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000900462208 620678962 /nfs/dbraw/zinc/67/89/62/620678962.db2.gz FFPWJVNFJBPOMH-IHRRRGAJSA-N -1 3 298.427 2.528 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833696214 605063422 /nfs/dbraw/zinc/06/34/22/605063422.db2.gz IAOHWAIIBQEBGS-UHFFFAOYSA-N -1 3 294.354 2.817 20 30 CFEDHM C=CC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000706970902 605833889 /nfs/dbraw/zinc/83/38/89/605833889.db2.gz BZNFIODRCIGIRH-UHFFFAOYSA-N -1 3 263.312 2.922 20 30 CFEDHM Cc1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822327249 606368251 /nfs/dbraw/zinc/36/82/51/606368251.db2.gz DSHHAIYPNIZVFD-UHFFFAOYSA-N -1 3 284.348 2.683 20 30 CFEDHM C=CCCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734858 606394628 /nfs/dbraw/zinc/39/46/28/606394628.db2.gz VTJCSNRRKMAIBS-LLVKDONJSA-N -1 3 286.335 2.827 20 30 CFEDHM C=CCCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734858 606394630 /nfs/dbraw/zinc/39/46/30/606394630.db2.gz VTJCSNRRKMAIBS-LLVKDONJSA-N -1 3 286.335 2.827 20 30 CFEDHM CCCCCCCCCn1cc(-c2nnn[n-]2)cn1 ZINC000821056716 606428412 /nfs/dbraw/zinc/42/84/12/606428412.db2.gz WWWYAQRIZUVFJL-UHFFFAOYSA-N -1 3 262.361 2.814 20 30 CFEDHM CCCCCCCCCn1cc(-c2nn[n-]n2)cn1 ZINC000821056716 606428413 /nfs/dbraw/zinc/42/84/13/606428413.db2.gz WWWYAQRIZUVFJL-UHFFFAOYSA-N -1 3 262.361 2.814 20 30 CFEDHM C=C(Cl)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819729525 606784082 /nfs/dbraw/zinc/78/40/82/606784082.db2.gz IKDHTYQEZAQXKP-UHFFFAOYSA-N -1 3 271.107 2.651 20 30 CFEDHM C=C(Cl)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819729525 606784085 /nfs/dbraw/zinc/78/40/85/606784085.db2.gz IKDHTYQEZAQXKP-UHFFFAOYSA-N -1 3 271.107 2.651 20 30 CFEDHM C=C(C)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819722315 606840441 /nfs/dbraw/zinc/84/04/41/606840441.db2.gz GLXMIBBHBMTUEW-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=C(C)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819722315 606840443 /nfs/dbraw/zinc/84/04/43/606840443.db2.gz GLXMIBBHBMTUEW-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM Cc1c(N=Cc2ccccc2O)cccc1-c1nn[n-]n1 ZINC000822035585 607251260 /nfs/dbraw/zinc/25/12/60/607251260.db2.gz XMDLHCUILTYVAV-UHFFFAOYSA-N -1 3 279.303 2.631 20 30 CFEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000826476923 607884009 /nfs/dbraw/zinc/88/40/09/607884009.db2.gz RZJJXMIDPYMOMQ-JLHYYAGUSA-N -1 3 288.310 2.689 20 30 CFEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000826476923 607884010 /nfs/dbraw/zinc/88/40/10/607884010.db2.gz RZJJXMIDPYMOMQ-JLHYYAGUSA-N -1 3 288.310 2.689 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826268883 607890421 /nfs/dbraw/zinc/89/04/21/607890421.db2.gz RNYRPZQIHZJCED-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826268883 607890422 /nfs/dbraw/zinc/89/04/22/607890422.db2.gz RNYRPZQIHZJCED-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C=C(Cl)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823883179 607984034 /nfs/dbraw/zinc/98/40/34/607984034.db2.gz KHOGKNBASCVJPZ-UHFFFAOYSA-N -1 3 296.783 2.861 20 30 CFEDHM C=C(Cl)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823883179 607984035 /nfs/dbraw/zinc/98/40/35/607984035.db2.gz KHOGKNBASCVJPZ-UHFFFAOYSA-N -1 3 296.783 2.861 20 30 CFEDHM C=C(C)CN(CC)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823877801 608221259 /nfs/dbraw/zinc/22/12/59/608221259.db2.gz FWJORDGLRSZFLC-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C=C(C)CN(CC)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823877801 608221261 /nfs/dbraw/zinc/22/12/61/608221261.db2.gz FWJORDGLRSZFLC-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM CCC[C@@H](C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825233438 608535659 /nfs/dbraw/zinc/53/56/59/608535659.db2.gz POZGLHMXKRKZPD-MRVPVSSYSA-N -1 3 293.762 2.749 20 30 CFEDHM CCC[C@@H](C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825233438 608535660 /nfs/dbraw/zinc/53/56/60/608535660.db2.gz POZGLHMXKRKZPD-MRVPVSSYSA-N -1 3 293.762 2.749 20 30 CFEDHM CCC(CC)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825107178 609159791 /nfs/dbraw/zinc/15/97/91/609159791.db2.gz MPBGJYZFRNPGJG-UHFFFAOYSA-N -1 3 290.346 2.508 20 30 CFEDHM CCC(CC)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825107178 609159793 /nfs/dbraw/zinc/15/97/93/609159793.db2.gz MPBGJYZFRNPGJG-UHFFFAOYSA-N -1 3 290.346 2.508 20 30 CFEDHM CC(C)[C@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000900679605 620701570 /nfs/dbraw/zinc/70/15/70/620701570.db2.gz SGJCKQLAHRSFFP-UKRRQHHQSA-N -1 3 295.354 2.995 20 30 CFEDHM CC1(C)CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824795777 609468529 /nfs/dbraw/zinc/46/85/29/609468529.db2.gz DIYSOWUZTMLYJK-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM CC1(C)CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824795777 609468531 /nfs/dbraw/zinc/46/85/31/609468531.db2.gz DIYSOWUZTMLYJK-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@@H]1C[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824898032 609471290 /nfs/dbraw/zinc/47/12/90/609471290.db2.gz CQCAMQXSQQLYQM-HTQZYQBOSA-N -1 3 276.731 2.574 20 30 CFEDHM C[C@@H]1C[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824898032 609471292 /nfs/dbraw/zinc/47/12/92/609471292.db2.gz CQCAMQXSQQLYQM-HTQZYQBOSA-N -1 3 276.731 2.574 20 30 CFEDHM CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255000038 617723105 /nfs/dbraw/zinc/72/31/05/617723105.db2.gz WKTMDNKWKQIGDG-UHFFFAOYSA-N -1 3 273.288 2.953 20 30 CFEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000890653233 617738621 /nfs/dbraw/zinc/73/86/21/617738621.db2.gz HFNCYCVKNVSTOX-CYBMUJFWSA-N -1 3 257.333 2.583 20 30 CFEDHM CS[C@H]1CCCC(N=Nc2nc(C)cc(=O)[n-]2)C1 ZINC000901119239 620753351 /nfs/dbraw/zinc/75/33/51/620753351.db2.gz MANKLKMETLXCCI-JTQLQIEISA-N -1 3 266.370 2.564 20 30 CFEDHM C=CCCCN(CC)C(=O)Cc1ccc([O-])c(F)c1 ZINC000890811097 617909067 /nfs/dbraw/zinc/90/90/67/617909067.db2.gz QMDQOPLWGIGKBV-UHFFFAOYSA-N -1 3 265.328 2.889 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NNC[C@H]2CCSC2)c1 ZINC000901244253 620770874 /nfs/dbraw/zinc/77/08/74/620770874.db2.gz PKKGUXLWILDJIX-SECBINFHSA-N -1 3 270.785 2.722 20 30 CFEDHM CC(=NNC[C@H]1CCSC1)c1ccc(F)c([O-])c1 ZINC000901244781 620771045 /nfs/dbraw/zinc/77/10/45/620771045.db2.gz XCPBBZZEOOFGMN-SNVBAGLBSA-N -1 3 268.357 2.598 20 30 CFEDHM C=CC[C@@H]1CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000934461867 618042318 /nfs/dbraw/zinc/04/23/18/618042318.db2.gz ODUVFZXBWHDKLH-LLVKDONJSA-N -1 3 271.320 2.593 20 30 CFEDHM C#CCCCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000780341185 618091199 /nfs/dbraw/zinc/09/11/99/618091199.db2.gz JHEYCAMWNINWKS-UHFFFAOYSA-N -1 3 272.308 2.587 20 30 CFEDHM CC[C@@H](N[C@@H]1CCn2ccnc21)c1cccc(C#N)c1[O-] ZINC000926501159 618160322 /nfs/dbraw/zinc/16/03/22/618160322.db2.gz CHCTXGGUZIHYCJ-ZIAGYGMSSA-N -1 3 282.347 2.646 20 30 CFEDHM C=CCOc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000193063183 618287262 /nfs/dbraw/zinc/28/72/62/618287262.db2.gz KXUDRCAEQAPOLS-UHFFFAOYSA-N -1 3 299.326 2.593 20 30 CFEDHM O=C([C@H]1CCOC2(CCC2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901372640 620796157 /nfs/dbraw/zinc/79/61/57/620796157.db2.gz JWXYYLLWUVZKNR-ZDUSSCGKSA-N -1 3 293.338 2.893 20 30 CFEDHM COc1ccsc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373957 620798232 /nfs/dbraw/zinc/79/82/32/620798232.db2.gz AREYCFVKTKMLJM-UHFFFAOYSA-N -1 3 281.308 2.927 20 30 CFEDHM N#CC1(CNCc2cc(F)cc(F)c2[O-])CCCC1 ZINC000895134211 618360996 /nfs/dbraw/zinc/36/09/96/618360996.db2.gz WVXYJLZJOJLSAQ-UHFFFAOYSA-N -1 3 266.291 2.844 20 30 CFEDHM Cc1nc2c(c(=O)[n-]1)CN(CC#Cc1cccc(Cl)c1)C2 ZINC000931310950 618937847 /nfs/dbraw/zinc/93/78/47/618937847.db2.gz CWYZBMXZYKQCLZ-UHFFFAOYSA-N -1 3 299.761 2.511 20 30 CFEDHM Cc1ccc(F)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000747707621 619262805 /nfs/dbraw/zinc/26/28/05/619262805.db2.gz MGSZETMDIUZPGF-UHFFFAOYSA-N -1 3 274.295 2.786 20 30 CFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1F ZINC000017701226 619360778 /nfs/dbraw/zinc/36/07/78/619360778.db2.gz DXCPSXYHLANZAL-QGMBQPNBSA-N -1 3 288.322 2.655 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000018137921 619369261 /nfs/dbraw/zinc/36/92/61/619369261.db2.gz XGJSDCSGFBDWDH-QUSGQWSMSA-N -1 3 276.380 2.832 20 30 CFEDHM C=CCC[C@H](NCc1ccc([O-])c(F)c1)C(=O)OCC ZINC000894758271 619458579 /nfs/dbraw/zinc/45/85/79/619458579.db2.gz GDTQPMDIJPQJAY-ZDUSSCGKSA-N -1 3 281.327 2.519 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888118834 620122561 /nfs/dbraw/zinc/12/25/61/620122561.db2.gz KATUJRURXKYJMP-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888118834 620122562 /nfs/dbraw/zinc/12/25/62/620122562.db2.gz KATUJRURXKYJMP-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888120369 620123206 /nfs/dbraw/zinc/12/32/06/620123206.db2.gz KQMHXYBRVIVHQQ-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888120369 620123209 /nfs/dbraw/zinc/12/32/09/620123209.db2.gz KQMHXYBRVIVHQQ-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM COC(=O)[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@H]2C[C@H]21 ZINC000899227664 620533095 /nfs/dbraw/zinc/53/30/95/620533095.db2.gz PGFIIPHQAYRGTD-BFKOLLEDSA-N -1 3 293.750 2.662 20 30 CFEDHM C=CCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912189 620938978 /nfs/dbraw/zinc/93/89/78/620938978.db2.gz QKAFMGZGJIXDGK-BDAKNGLRSA-N -1 3 254.355 2.847 20 30 CFEDHM 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C#C[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857296745 635961888 /nfs/dbraw/zinc/96/18/88/635961888.db2.gz CWXRVZFYRDHJOL-SNVBAGLBSA-N -1 3 297.276 2.896 20 30 CFEDHM CCCCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000859247008 636521081 /nfs/dbraw/zinc/52/10/81/636521081.db2.gz MJZXCQPTMKSAFC-UHFFFAOYSA-N -1 3 259.371 2.837 20 30 CFEDHM C=CC[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000860906066 637012008 /nfs/dbraw/zinc/01/20/08/637012008.db2.gz IGIWVADZJPNNIF-JTQLQIEISA-N -1 3 288.347 2.716 20 30 CFEDHM C#CCN(Cc1c([O-])cccc1Br)C1CC1 ZINC000862325339 637320770 /nfs/dbraw/zinc/32/07/70/637320770.db2.gz AOCMEJZXICVWID-UHFFFAOYSA-N -1 3 280.165 2.752 20 30 CFEDHM [O-]c1cccc(Br)c1C=NNC12CC(C1)C2 ZINC000863122376 637564908 /nfs/dbraw/zinc/56/49/08/637564908.db2.gz FIAHZUCYABWCLA-UHFFFAOYSA-N -1 3 281.153 2.631 20 30 CFEDHM N#Cc1cc([O-])ccc1-c1ccc(N2CCSCC2)nc1 ZINC000863723508 637759607 /nfs/dbraw/zinc/75/96/07/637759607.db2.gz ZUXIJWOPDWUEDM-UHFFFAOYSA-N -1 3 297.383 2.879 20 30 CFEDHM Cc1ncc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000864347410 637948050 /nfs/dbraw/zinc/94/80/50/637948050.db2.gz QAGRSNONDGNPBU-GDHHIONMSA-N -1 3 291.376 2.533 20 30 CFEDHM CC(C)Cn1ccnc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866271828 638785886 /nfs/dbraw/zinc/78/58/86/638785886.db2.gz FPNRSPFUIIZBSZ-ZDUSSCGKSA-N -1 3 298.390 2.967 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000869154568 639050132 /nfs/dbraw/zinc/05/01/32/639050132.db2.gz VPLLVXFCJNWNET-AEJSXWLSSA-N -1 3 265.275 2.977 20 30 CFEDHM C#Cc1ccccc1CC(=O)[N-]OCCCC(F)(F)F ZINC000871216445 641253751 /nfs/dbraw/zinc/25/37/51/641253751.db2.gz SQRMZSVMRNITIV-UHFFFAOYSA-N -1 3 285.265 2.601 20 30 CFEDHM CC(=NN1CCC1)c1cc(Br)ccc1[O-] ZINC000872394741 641790146 /nfs/dbraw/zinc/79/01/46/641790146.db2.gz KQSSPODRIYVGDI-UHFFFAOYSA-N -1 3 269.142 2.584 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-]C(C)(C)C#N ZINC000128355841 644652127 /nfs/dbraw/zinc/65/21/27/644652127.db2.gz LMNXXEFLFDFGIF-UHFFFAOYSA-N -1 3 282.290 2.595 20 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C=CCCCCCOC(=O)c1cccc2[n-]nnc21 ZINC000800205290 646189185 /nfs/dbraw/zinc/18/91/85/646189185.db2.gz GRVZDMIOLBJOFQ-UHFFFAOYSA-N -1 3 259.309 2.861 20 30 CFEDHM C=CCCCCCOC(=O)c1cccc2n[n-]nc21 ZINC000800205290 646189194 /nfs/dbraw/zinc/18/91/94/646189194.db2.gz GRVZDMIOLBJOFQ-UHFFFAOYSA-N -1 3 259.309 2.861 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CCCC2(F)F)c1[O-] ZINC000887268783 647255670 /nfs/dbraw/zinc/25/56/70/647255670.db2.gz UVZATYTYVHMAAU-QTPLJXKRSA-N -1 3 298.333 2.832 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@H](C)C(C)(C)C)c1[O-] ZINC000887270829 647257367 /nfs/dbraw/zinc/25/73/67/647257367.db2.gz UXYMLMOUYOBZEY-SYEOYNTFSA-N -1 3 264.369 2.689 20 30 CFEDHM C=CC(C)(C)CC(=O)[N-]OCCOc1ccccc1 ZINC000889442199 647571533 /nfs/dbraw/zinc/57/15/33/647571533.db2.gz MURHKMNOEWEGNH-UHFFFAOYSA-N -1 3 263.337 2.716 20 30 CFEDHM CC[C@H](NCc1ncccc1OC)c1cccc(C#N)c1[O-] ZINC000926549406 648528952 /nfs/dbraw/zinc/52/89/52/648528952.db2.gz HNJTZGBOHUMIFW-AWEZNQCLSA-N -1 3 297.358 2.908 20 30 CFEDHM C[C@H](CN(C)[C@H]1CCC[C@@H]1C#N)C(=O)c1ccc([O-])cc1 ZINC000931477155 649438235 /nfs/dbraw/zinc/43/82/35/649438235.db2.gz VXDBWOMEWYZGCS-XPKDYRNWSA-N -1 3 286.375 2.835 20 30 CFEDHM CN(C)c1nc(Nc2cc(Cl)cc(C#N)c2)cc(=O)[n-]1 ZINC001210536807 770307666 /nfs/dbraw/zinc/30/76/66/770307666.db2.gz PMJZQEXVWDNENB-UHFFFAOYSA-N -1 3 289.726 2.517 20 30 CFEDHM COc1ncc(Nc2cc(F)cc(F)c2C#N)cc1[O-] ZINC001216211249 770796996 /nfs/dbraw/zinc/79/69/96/770796996.db2.gz XPSDMHHKQRAQMD-UHFFFAOYSA-N -1 3 277.230 2.689 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCC(F)(F)C2)[n-]1 ZINC001225467918 775466821 /nfs/dbraw/zinc/46/68/21/775466821.db2.gz DXZMOOCIDIXKRZ-MRVPVSSYSA-N -1 3 254.236 2.534 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](c2cccnc2)C2CC2)[n-]1 ZINC001225470731 775470135 /nfs/dbraw/zinc/47/01/35/775470135.db2.gz ZOHZFXZBVAUUOH-HNNXBMFYSA-N -1 3 281.315 2.892 20 30 CFEDHM Cc1cnc(F)c([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225470723 775470497 /nfs/dbraw/zinc/47/04/97/775470497.db2.gz 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/nfs/dbraw/zinc/74/77/09/775747709.db2.gz NMDQKJXRECQZFI-OCCSQVGLSA-N -1 3 290.363 2.982 20 30 CFEDHM CC(C)C[C@@H](Oc1nccc(/C=N/[O-])n1)C(C)C ZINC001226257312 775759639 /nfs/dbraw/zinc/75/96/39/775759639.db2.gz ZDEUUGDMVKXQHU-AZZDOICSSA-N -1 3 251.330 2.734 20 30 CFEDHM C=C[C@]1(C)CC[C@H](Oc2cc(=O)[n-]c(C)n2)C(C)(C)O1 ZINC001226512997 775856797 /nfs/dbraw/zinc/85/67/97/775856797.db2.gz XLKUIFCNMWODAL-XHDPSFHLSA-N -1 3 278.352 2.772 20 30 CFEDHM C#C[C@@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])C(C)C ZINC001226531670 775862743 /nfs/dbraw/zinc/86/27/43/775862743.db2.gz DJVGYFONZXYHGX-CYBMUJFWSA-N -1 3 272.300 2.844 20 30 CFEDHM C=C1O[C@H](C)C(=O)C1Oc1cccc([O-])c1Cl ZINC001226709719 775932349 /nfs/dbraw/zinc/93/23/49/775932349.db2.gz PWXUPNVSKHRUOF-ZCFIWIBFSA-N -1 3 254.669 2.644 20 30 CFEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3nccnc32)C1 ZINC001226992930 776053228 /nfs/dbraw/zinc/05/32/28/776053228.db2.gz YLIBOKROMXBVIW-RYUDHWBXSA-N -1 3 298.346 2.805 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@H]2CC[C@@]3(CCCCO3)O2)c1 ZINC001227351317 776182831 /nfs/dbraw/zinc/18/28/31/776182831.db2.gz UTCDANZESASMOO-CZUORRHYSA-N -1 3 289.331 2.718 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@@H]2CC(F)(F)C2(F)F)c1 ZINC001227351358 776182969 /nfs/dbraw/zinc/18/29/69/776182969.db2.gz VCVSRLWIUJGOQN-SECBINFHSA-N -1 3 261.174 2.686 20 30 CFEDHM COC(=O)C[C@H]1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227350905 776183013 /nfs/dbraw/zinc/18/30/13/776183013.db2.gz QQOLVBGIBFHRNK-WCQYABFASA-N -1 3 289.331 2.765 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@@H]2CC[C@]3(CCCCO3)O2)c1 ZINC001227351313 776183234 /nfs/dbraw/zinc/18/32/34/776183234.db2.gz UTCDANZESASMOO-BBRMVZONSA-N -1 3 289.331 2.718 20 30 CFEDHM C=C[C@@H](CCCCCC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430087 776202156 /nfs/dbraw/zinc/20/21/56/776202156.db2.gz HUCBFPVKQNEVBY-VIFPVBQESA-N -1 3 292.339 2.668 20 30 CFEDHM C=C[C@@H](CCCCCC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430087 776202165 /nfs/dbraw/zinc/20/21/65/776202165.db2.gz HUCBFPVKQNEVBY-VIFPVBQESA-N -1 3 292.339 2.668 20 30 CFEDHM C[C@H](CS)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227582658 776235778 /nfs/dbraw/zinc/23/57/78/776235778.db2.gz CPMRURUOCHADRO-RXMQYKEDSA-N -1 3 253.245 2.503 20 30 CFEDHM C=C[C@H](CCCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691107 776258683 /nfs/dbraw/zinc/25/86/83/776258683.db2.gz MOUJZGUOAHAXEC-SECBINFHSA-N -1 3 276.296 2.990 20 30 CFEDHM C=C[C@H](CCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691880 776259093 /nfs/dbraw/zinc/25/90/93/776259093.db2.gz RPAPPTUUHWQUOE-MRVPVSSYSA-N -1 3 262.269 2.600 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693333 776259108 /nfs/dbraw/zinc/25/91/08/776259108.db2.gz SYUQOSZHUCUWFC-JTQLQIEISA-N -1 3 288.307 2.827 20 30 CFEDHM C#C[C@H](CC)Oc1nc2cc(C(=O)OCC)ccc2[n-]1 ZINC001227701962 776262242 /nfs/dbraw/zinc/26/22/42/776262242.db2.gz NTTDLQZTMIQJGE-LLVKDONJSA-N -1 3 272.304 2.530 20 30 CFEDHM C=CC[C@H](Oc1nc(C(=O)OC)ccc1[O-])C(C)C ZINC001227826306 776301357 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C=CC[C@@H](CCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699188 776573282 /nfs/dbraw/zinc/57/32/82/776573282.db2.gz WXIAQAYKCRDCDC-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@@H](CCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699188 776573292 /nfs/dbraw/zinc/57/32/92/776573292.db2.gz WXIAQAYKCRDCDC-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@@H](CCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699188 776573300 /nfs/dbraw/zinc/57/33/00/776573300.db2.gz WXIAQAYKCRDCDC-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228699569 776574924 /nfs/dbraw/zinc/57/49/24/776574924.db2.gz ZQPWBGGSFJDQHW-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699569 776574930 /nfs/dbraw/zinc/57/49/30/776574930.db2.gz ZQPWBGGSFJDQHW-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229100272 776716415 /nfs/dbraw/zinc/71/64/15/776716415.db2.gz QYMHKKFSTCWPMC-VXNVDRBHSA-N -1 3 298.136 2.931 20 30 CFEDHM CC1=C(Oc2cccc([O-])c2Br)C(=O)[C@H](C)O1 ZINC001229138723 776730324 /nfs/dbraw/zinc/73/03/24/776730324.db2.gz CGSRMPCTJWZDIY-LURJTMIESA-N -1 3 299.120 2.753 20 30 CFEDHM C=CCC[C@@H](CC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229343394 776785403 /nfs/dbraw/zinc/78/54/03/776785403.db2.gz XWKDDMMKGHWEDQ-GFCCVEGCSA-N -1 3 288.351 2.999 20 30 CFEDHM C=CCC[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229343394 776785407 /nfs/dbraw/zinc/78/54/07/776785407.db2.gz XWKDDMMKGHWEDQ-GFCCVEGCSA-N -1 3 288.351 2.999 20 30 CFEDHM Cc1nc(O[C@H](CC#N)c2ccccc2)c(C)c(=O)[n-]1 ZINC001229685369 776871522 /nfs/dbraw/zinc/87/15/22/776871522.db2.gz LRZPCWGHTDJRSQ-CYBMUJFWSA-N -1 3 269.304 2.833 20 30 CFEDHM [O-]c1ccccc1/N=C/c1ccccc1OC[C@@H]1COCO1 ZINC001229932716 776920499 /nfs/dbraw/zinc/92/04/99/776920499.db2.gz GPLIAJKRWBOPPY-RMNBPEERSA-N -1 3 299.326 2.895 20 30 CFEDHM COC(C)(C)C[C@@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225468165 776989767 /nfs/dbraw/zinc/98/97/67/776989767.db2.gz LPCSBMYBWQMFKI-SNVBAGLBSA-N -1 3 264.325 2.550 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231075619 777134385 /nfs/dbraw/zinc/13/43/85/777134385.db2.gz CRDXZPACJTVYHZ-VIFPVBQESA-N -1 3 278.381 2.733 20 30 CFEDHM C#C[C@@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)C(C)C ZINC001231086391 777137848 /nfs/dbraw/zinc/13/78/48/777137848.db2.gz DHSLIMSMIMYMNN-SECBINFHSA-N -1 3 297.738 2.654 20 30 CFEDHM C=CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C(C)(C)C ZINC001231565974 777261348 /nfs/dbraw/zinc/26/13/48/777261348.db2.gz GEUVRQQWFNTSGH-UHFFFAOYSA-N -1 3 263.337 2.877 20 30 CFEDHM C=CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C(C)(C)C ZINC001231565974 777261351 /nfs/dbraw/zinc/26/13/51/777261351.db2.gz GEUVRQQWFNTSGH-UHFFFAOYSA-N -1 3 263.337 2.877 20 30 CFEDHM CC[C@@H](C)CC[C@@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226257008 777490418 /nfs/dbraw/zinc/49/04/18/777490418.db2.gz XPYIEGDLSYWHRM-SCVIVROUSA-N -1 3 251.330 2.878 20 30 CFEDHM N#Cc1ccc([O-])c(CN2CCc3c(O)cccc3C2)c1 ZINC001232673577 777636716 /nfs/dbraw/zinc/63/67/16/777636716.db2.gz JLAJQHMOIUIEGB-UHFFFAOYSA-N -1 3 280.327 2.528 20 30 CFEDHM N#Cc1ccc(CN2CCOc3ccccc3C2)c([O-])c1 ZINC001233386161 777927039 /nfs/dbraw/zinc/92/70/39/777927039.db2.gz IMQHCARSSQYYHO-UHFFFAOYSA-N -1 3 280.327 2.658 20 30 CFEDHM C=C(C)C(=O)OCCNc1[n-]c(=O)c(Cl)cc1Cl ZINC001168070446 777927622 /nfs/dbraw/zinc/92/76/22/777927622.db2.gz MRLCYIBMZBMDHH-UHFFFAOYSA-N -1 3 291.134 2.625 20 30 CFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CCC1 ZINC001234511725 778241088 /nfs/dbraw/zinc/24/10/88/778241088.db2.gz UHMHLOXJOMXEPR-SECBINFHSA-N -1 3 269.304 2.774 20 30 CFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccco1 ZINC001234513720 778241142 /nfs/dbraw/zinc/24/11/42/778241142.db2.gz OQFSNHYIIALLOE-SECBINFHSA-N -1 3 281.271 2.940 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(OC3CCC(C#N)CC3)c12 ZINC001234510720 778241342 /nfs/dbraw/zinc/24/13/42/778241342.db2.gz DSZZMZNMZHOLCY-UHFFFAOYSA-N -1 3 294.314 2.668 20 30 CFEDHM CCOc1cc(C=NNC2CC2)cc(Cl)c1[O-] ZINC000758127128 778628502 /nfs/dbraw/zinc/62/85/02/778628502.db2.gz LPVFNGYKYGUZDO-UHFFFAOYSA-N -1 3 254.717 2.530 20 30 CFEDHM N#Cc1c2c(cnc1-c1cncc([O-])c1)CCCC2 ZINC001236576733 778880941 /nfs/dbraw/zinc/88/09/41/778880941.db2.gz BGCFYERKPJNVCO-UHFFFAOYSA-N -1 3 251.289 2.600 20 30 CFEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(CCO)c2)c1 ZINC001239032662 779445437 /nfs/dbraw/zinc/44/54/37/779445437.db2.gz GQFFYZXHUSNBCD-LICLKQGHSA-N -1 3 259.280 2.836 20 30 CFEDHM N#Cc1c(F)cc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001239921520 779860114 /nfs/dbraw/zinc/86/01/14/779860114.db2.gz BCTXNMNMEXNHLX-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1c(F)cc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001239921520 779860124 /nfs/dbraw/zinc/86/01/24/779860124.db2.gz BCTXNMNMEXNHLX-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM [O-]/N=C/c1cccc(-c2cnn(C3CCOCC3)c2)c1 ZINC001240088601 779939213 /nfs/dbraw/zinc/93/92/13/779939213.db2.gz AWUWUWXKQIZDBU-RQZCQDPDSA-N -1 3 271.320 2.710 20 30 CFEDHM Cc1ccnc(C#N)c1Nc1cc(F)cc(F)c1[O-] ZINC001212484244 780400459 /nfs/dbraw/zinc/40/04/59/780400459.db2.gz SFEXONHCJKQSDD-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM C/C(=N\[O-])c1ccc(-c2cnn3cccnc23)cc1 ZINC001240939005 780536157 /nfs/dbraw/zinc/53/61/57/780536157.db2.gz MLNFAUKLMDUZTA-LICLKQGHSA-N -1 3 252.277 2.595 20 30 CFEDHM C=CCOc1ccc(-c2ccccc2[O-])nc1C#N ZINC001241009760 780589918 /nfs/dbraw/zinc/58/99/18/780589918.db2.gz WFUUVEYAOXDASH-UHFFFAOYSA-N -1 3 252.273 2.891 20 30 CFEDHM N#Cc1ccc2nccc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241443613 780893295 /nfs/dbraw/zinc/89/32/95/780893295.db2.gz IEGASRGXNSXMKR-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1ccc2nccc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241443613 780893303 /nfs/dbraw/zinc/89/33/03/780893303.db2.gz IEGASRGXNSXMKR-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#CCc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241446814 780900540 /nfs/dbraw/zinc/90/05/40/780900540.db2.gz SRJHCFSJNSSKJM-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241446814 780900545 /nfs/dbraw/zinc/90/05/45/780900545.db2.gz SRJHCFSJNSSKJM-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM COC(=O)c1cc(Nc2cccc([O-])c2F)ccc1C#N ZINC001212553135 781050632 /nfs/dbraw/zinc/05/06/32/781050632.db2.gz CRKVCOGPMBTTAN-UHFFFAOYSA-N -1 3 286.262 2.933 20 30 CFEDHM Nc1n[nH]c2ccc(-c3ccccc3C=N[O-])cc12 ZINC001241735287 781103494 /nfs/dbraw/zinc/10/34/94/781103494.db2.gz PNJNMVQFUOSPQT-UHFFFAOYSA-N -1 3 252.277 2.620 20 30 CFEDHM C#Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001242294342 781374662 /nfs/dbraw/zinc/37/46/62/781374662.db2.gz CEJSARXURDZNMN-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001242294342 781374671 /nfs/dbraw/zinc/37/46/71/781374671.db2.gz CEJSARXURDZNMN-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC(C)(C)C2)n1 ZINC001163724000 781562891 /nfs/dbraw/zinc/56/28/91/781562891.db2.gz KQQLGDBGRVOGRU-YIXHJXPBSA-N -1 3 286.788 2.506 20 30 CFEDHM N#Cc1cc(-c2cc(-n3ccnc3)ccn2)ccc1[O-] ZINC001242562861 781601002 /nfs/dbraw/zinc/60/10/02/781601002.db2.gz KKPSTEABCJPWBJ-UHFFFAOYSA-N -1 3 262.272 2.512 20 30 CFEDHM N#Cc1cc(-c2ccc(CN3CCOCC3)cc2)ccc1[O-] ZINC001242563685 781602463 /nfs/dbraw/zinc/60/24/63/781602463.db2.gz IDWSLPIYHGCFCF-UHFFFAOYSA-N -1 3 294.354 2.763 20 30 CFEDHM N#Cc1cc(-c2ccc(N3CCOCC3)cc2)ccc1[O-] ZINC001242564469 781602942 /nfs/dbraw/zinc/60/29/42/781602942.db2.gz BMWJLPIEXKXCIP-UHFFFAOYSA-N -1 3 280.327 2.767 20 30 CFEDHM N#Cc1cc(-c2ccc([C@H]3CCCNC3=O)cc2)ccc1[O-] ZINC001242566076 781605365 /nfs/dbraw/zinc/60/53/65/781605365.db2.gz HXOFXZPGSWOOBQ-MRXNPFEDSA-N -1 3 292.338 2.924 20 30 CFEDHM Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(C#N)c1 ZINC001242593521 781624747 /nfs/dbraw/zinc/62/47/47/781624747.db2.gz SPJPFMVYAUFEGP-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(C#N)c1 ZINC001242593521 781624754 /nfs/dbraw/zinc/62/47/54/781624754.db2.gz SPJPFMVYAUFEGP-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CC(C)(C)n1cc(Nc2cc(C#N)ccc2[O-])cn1 ZINC001212572133 781679046 /nfs/dbraw/zinc/67/90/46/781679046.db2.gz LFAZSVWDSKOEDT-UHFFFAOYSA-N -1 3 256.309 2.959 20 30 CFEDHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000594812945 349488543 /nfs/dbraw/zinc/48/85/43/349488543.db2.gz JABKCEHANFFRMY-VIFPVBQESA-N -1 3 286.422 2.723 20 30 CFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCC1CCC1 ZINC000594857661 349490630 /nfs/dbraw/zinc/49/06/30/349490630.db2.gz NFYFREWZMWVWNS-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000595399504 349616918 /nfs/dbraw/zinc/61/69/18/349616918.db2.gz LQEDFICSNJNESH-UHFFFAOYSA-N -1 3 284.406 2.643 20 30 CFEDHM C=CCCCCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000573458173 334939815 /nfs/dbraw/zinc/93/98/15/334939815.db2.gz LRMQUULCUDSSFB-UHFFFAOYSA-N -1 3 293.363 2.886 20 30 CFEDHM CCO[C@H](CCN=c1[n-]c(C#N)c(Cl)s1)C(C)C ZINC000596147029 349808840 /nfs/dbraw/zinc/80/88/40/349808840.db2.gz LJABVYFCZUAELP-SNVBAGLBSA-N -1 3 287.816 2.953 20 30 CFEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000344729185 529771097 /nfs/dbraw/zinc/77/10/97/529771097.db2.gz FGBRCNRGGIJHEC-OAHLLOKOSA-N -1 3 290.326 2.509 20 30 CFEDHM CCSCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596225941 349833243 /nfs/dbraw/zinc/83/32/43/349833243.db2.gz HFPVBTAGKAVDSU-UHFFFAOYSA-N -1 3 261.803 2.645 20 30 CFEDHM N#Cc1[n-]c(=N[C@@H]2CCCN3CCCC[C@@H]23)sc1Cl ZINC000596296558 349855604 /nfs/dbraw/zinc/85/56/04/349855604.db2.gz LOLYJSHFMCPOKU-KOLCDFICSA-N -1 3 296.827 2.519 20 30 CFEDHM CC(C)(C)OCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596466527 349909358 /nfs/dbraw/zinc/90/93/58/349909358.db2.gz RBYMRCISGDPEGK-UHFFFAOYSA-N -1 3 273.789 2.707 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000123157187 268003306 /nfs/dbraw/zinc/00/33/06/268003306.db2.gz LVERGHDHEXTCCE-UHFFFAOYSA-N -1 3 275.757 2.666 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)c2ccccc2)c1[O-] ZINC000005110838 346210525 /nfs/dbraw/zinc/21/05/25/346210525.db2.gz VNBHNMYUEKCDLD-SGEFVQMOSA-N -1 3 284.359 2.811 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000031854752 346297893 /nfs/dbraw/zinc/29/78/93/346297893.db2.gz JMYOQWBMAZKQMG-GLFFDOTJSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)cc(F)c2)nc(C)n1 ZINC000041574788 346353349 /nfs/dbraw/zinc/35/33/49/346353349.db2.gz JVTOGYVTQCZXBX-ZDUSSCGKSA-N -1 3 287.269 2.862 20 30 CFEDHM COc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574234 346353475 /nfs/dbraw/zinc/35/34/75/346353475.db2.gz JBARJJGRSJPBFV-AWEZNQCLSA-N -1 3 281.315 2.592 20 30 CFEDHM C[C@H]1OCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000092719432 347642199 /nfs/dbraw/zinc/64/21/99/347642199.db2.gz WESZODGLJPJBAR-RKDXNWHRSA-N -1 3 290.298 2.624 20 30 CFEDHM N#CCCSc1ccccc1[N-]C(=O)c1cocn1 ZINC000108200648 347739086 /nfs/dbraw/zinc/73/90/86/347739086.db2.gz VYISLKQCHCRRDP-UHFFFAOYSA-N -1 3 273.317 2.933 20 30 CFEDHM O=C(N[O-])c1sc(C2CC2)nc1-c1ccccc1 ZINC000671995958 539573494 /nfs/dbraw/zinc/57/34/94/539573494.db2.gz OQMCJZOGGSDFMS-UHFFFAOYSA-N -1 3 260.318 2.807 20 30 CFEDHM CCc1ccc(C(=O)N2CCC(C)(C#N)CC2)c([O-])c1 ZINC000276397802 348336541 /nfs/dbraw/zinc/33/65/41/348336541.db2.gz SZDZLEUTQKKZQI-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM C=CCn1cccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350486456 348477501 /nfs/dbraw/zinc/47/75/01/348477501.db2.gz OBRSZYQXDNOVAN-UHFFFAOYSA-N -1 3 292.302 2.662 20 30 CFEDHM Cc1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2[nH]1 ZINC000589164511 348814329 /nfs/dbraw/zinc/81/43/29/348814329.db2.gz PHYPHVUOCOZSIT-UHFFFAOYSA-N -1 3 292.298 2.701 20 30 CFEDHM CC[C@@H](C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000593559084 349292884 /nfs/dbraw/zinc/29/28/84/349292884.db2.gz WJLBABRVSNHFAI-ZETCQYMHSA-N -1 3 283.125 2.643 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593601430 349297565 /nfs/dbraw/zinc/29/75/65/349297565.db2.gz TVRVGXDHWIYBJP-UHFFFAOYSA-N -1 3 284.406 2.500 20 30 CFEDHM N#CCC1CN(Cc2cccc([O-])c2Br)C1 ZINC000597203731 350055081 /nfs/dbraw/zinc/05/50/81/350055081.db2.gz NKEIMCFLWILYOM-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000597349956 350088212 /nfs/dbraw/zinc/08/82/12/350088212.db2.gz FKXICHXIIHNSIB-GFCCVEGCSA-N -1 3 278.377 2.782 20 30 CFEDHM CCc1cc(C(=O)N2CCC[C@@H](CC#N)C2)ccc1[O-] ZINC000597900330 350151839 /nfs/dbraw/zinc/15/18/39/350151839.db2.gz LQGSJFNDSKDFKV-LBPRGKRZSA-N -1 3 272.348 2.720 20 30 CFEDHM CC1CC(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000598622110 350295691 /nfs/dbraw/zinc/29/56/91/350295691.db2.gz FNGNFYHFFCBKLD-UHFFFAOYSA-N -1 3 298.795 2.536 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598697819 350312103 /nfs/dbraw/zinc/31/21/03/350312103.db2.gz UKGARZPPMNDGQJ-SNVBAGLBSA-N -1 3 286.253 2.833 20 30 CFEDHM C[C@H](C#N)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000598769091 350326455 /nfs/dbraw/zinc/32/64/55/350326455.db2.gz CVKONXSSUVQAPO-MRVPVSSYSA-N -1 3 298.264 2.928 20 30 CFEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2coc(C3CC3)n2)n1 ZINC000598859239 350342702 /nfs/dbraw/zinc/34/27/02/350342702.db2.gz UPKAGTLUQDUCDW-UHFFFAOYSA-N -1 3 282.303 2.688 20 30 CFEDHM CC(C)[C@@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598896155 350345604 /nfs/dbraw/zinc/34/56/04/350345604.db2.gz FBKWGTBOUMLEJY-LLVKDONJSA-N -1 3 286.253 2.689 20 30 CFEDHM Cc1cccc([O-])c1C(=O)NC1(C#N)CCCCC1 ZINC000599245267 350399470 /nfs/dbraw/zinc/39/94/70/350399470.db2.gz RWJXCYDZWMSEPX-UHFFFAOYSA-N -1 3 258.321 2.657 20 30 CFEDHM CCc1c(-c2cccc(C)c2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601933535 350807088 /nfs/dbraw/zinc/80/70/88/350807088.db2.gz RAADOAZULNLSSG-JSGCOSHPSA-N -1 3 269.348 2.727 20 30 CFEDHM CCc1c(-c2ccccc2)[n-]n([C@H](C)CC#N)c1=O ZINC000601935450 350807793 /nfs/dbraw/zinc/80/77/93/350807793.db2.gz JYEDUTKPRHEMKB-YPMHNXCESA-N -1 3 255.321 2.561 20 30 CFEDHM CCc1nocc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000602301390 350861091 /nfs/dbraw/zinc/86/10/91/350861091.db2.gz UVLODGUFLDFODQ-UHFFFAOYSA-N -1 3 296.330 2.635 20 30 CFEDHM CCCn1c(S[C@@H](C#N)Cc2ccccc2)n[n-]c1=O ZINC000604021968 351196646 /nfs/dbraw/zinc/19/66/46/351196646.db2.gz ZDAUWCSXZHNOEI-GFCCVEGCSA-N -1 3 288.376 2.621 20 30 CFEDHM Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)c([O-])c1C ZINC000609241023 351492944 /nfs/dbraw/zinc/49/29/44/351492944.db2.gz HJRAFLLRWJOBIX-UHFFFAOYSA-N -1 3 298.317 2.950 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCCCC2)c(F)c1 ZINC000610081601 351533466 /nfs/dbraw/zinc/53/34/66/351533466.db2.gz JYQASCHAXAAPHA-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610267193 351545621 /nfs/dbraw/zinc/54/56/21/351545621.db2.gz KUHNHXMOHJQGGZ-MNOVXSKESA-N -1 3 298.383 2.800 20 30 CFEDHM CCc1cccc(C(=O)NC2(C#N)CCCCC2)c1[O-] ZINC000610578839 351583869 /nfs/dbraw/zinc/58/38/69/351583869.db2.gz MFJXDQHFVPDVKJ-UHFFFAOYSA-N -1 3 272.348 2.911 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)c([O-])c1C ZINC000611279995 351663587 /nfs/dbraw/zinc/66/35/87/351663587.db2.gz USMCXPKWNZZVFI-LBPRGKRZSA-N -1 3 260.337 2.677 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1c(C)cccc1F ZINC000291899888 198099214 /nfs/dbraw/zinc/09/92/14/198099214.db2.gz QFIJEMDIPVDVRT-UHFFFAOYSA-N -1 3 257.330 2.842 20 30 CFEDHM CC(C)C[C@@H](C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000615745591 352238202 /nfs/dbraw/zinc/23/82/02/352238202.db2.gz UPCFDOPSMWIORV-ZDUSSCGKSA-N -1 3 292.354 2.908 20 30 CFEDHM C=C(C)CCNC(=O)c1cc(SC)ccc1[O-] ZINC000615828203 352245309 /nfs/dbraw/zinc/24/53/09/352245309.db2.gz VCGIQMOJPOXYDB-UHFFFAOYSA-N -1 3 251.351 2.810 20 30 CFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000616941925 352446416 /nfs/dbraw/zinc/44/64/16/352446416.db2.gz JPMYGBGGKJEXKJ-VIFPVBQESA-N -1 3 269.728 2.965 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000617781424 352643846 /nfs/dbraw/zinc/64/38/46/352643846.db2.gz MHUSHHUCXQOSPS-NSHDSACASA-N -1 3 261.321 2.526 20 30 CFEDHM N#Cc1ccccc1/C=C/C(=O)[N-]OC1CCCC1 ZINC000271621877 191246803 /nfs/dbraw/zinc/24/68/03/191246803.db2.gz AABLYPOWLPXCDS-MDZDMXLPSA-N -1 3 256.305 2.562 20 30 CFEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccccc1[O-] ZINC000618789582 352881587 /nfs/dbraw/zinc/88/15/87/352881587.db2.gz KZSVJYSWGLSPSB-HNNXBMFYSA-N -1 3 278.311 2.681 20 30 CFEDHM CC(C)(C)c1ccc(C#N)c(NCc2ncccc2[O-])n1 ZINC000619501587 353030389 /nfs/dbraw/zinc/03/03/89/353030389.db2.gz AJMRECVQTOHYFZ-UHFFFAOYSA-N -1 3 282.347 2.963 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1cc(OC)ccc1[O-] ZINC000620863012 353242790 /nfs/dbraw/zinc/24/27/90/353242790.db2.gz BIKHXZHCTLYMIS-UHFFFAOYSA-N -1 3 263.337 2.875 20 30 CFEDHM C#CCOc1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295191980 199397804 /nfs/dbraw/zinc/39/78/04/199397804.db2.gz LERXSZRUUPJWJB-UHFFFAOYSA-N -1 3 291.372 2.898 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1cncc(OCCC)c1 ZINC000629352181 354784337 /nfs/dbraw/zinc/78/43/37/354784337.db2.gz XLWLBVWPRXOZIC-UHFFFAOYSA-N -1 3 284.381 2.578 20 30 CFEDHM CCn1cc(C([O-])=C(C#N)c2ccccn2)c(C2CC2)n1 ZINC000633900222 356028955 /nfs/dbraw/zinc/02/89/55/356028955.db2.gz MQFSURDMONBIQV-GFCCVEGCSA-N -1 3 280.331 2.665 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccnc(OC(F)F)c1 ZINC000294762892 199171446 /nfs/dbraw/zinc/17/14/46/199171446.db2.gz SGKCLKWOWQCCBK-UHFFFAOYSA-N -1 3 292.232 2.511 20 30 CFEDHM O=C(C1CC1)N1CC=C(c2ccccc2C=N[O-])CC1 ZINC001243030499 781942471 /nfs/dbraw/zinc/94/24/71/781942471.db2.gz MULULGNWFDISOB-UHFFFAOYSA-N -1 3 270.332 2.520 20 30 CFEDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183661674 189365037 /nfs/dbraw/zinc/36/50/37/189365037.db2.gz UYXFIMOPAWMEPR-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000184778664 189395209 /nfs/dbraw/zinc/39/52/09/189395209.db2.gz USVXAXISJBCYMM-NSHDSACASA-N -1 3 296.779 2.599 20 30 CFEDHM C[C@@H](CCc1ccc(Br)cc1)CC(=O)N[O-] ZINC000671996932 541410375 /nfs/dbraw/zinc/41/03/75/541410375.db2.gz WTRHAQYHYZAEOX-VIFPVBQESA-N -1 3 286.169 2.913 20 30 CFEDHM Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036714169 372586433 /nfs/dbraw/zinc/58/64/33/372586433.db2.gz CDCWLNKSVGIPSC-UHFFFAOYSA-N -1 3 270.214 2.768 20 30 CFEDHM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036714169 372586437 /nfs/dbraw/zinc/58/64/37/372586437.db2.gz CDCWLNKSVGIPSC-UHFFFAOYSA-N -1 3 270.214 2.768 20 30 CFEDHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493582 372844091 /nfs/dbraw/zinc/84/40/91/372844091.db2.gz TXPCGNVXNFUDTM-AWEZNQCLSA-N -1 3 279.299 2.530 20 30 CFEDHM Cc1cccc(C([O-])=C(C#N)c2ccccn2)c1[N+](=O)[O-] ZINC000046440458 373055038 /nfs/dbraw/zinc/05/50/38/373055038.db2.gz LDPSCLRUXNIGMD-GFCCVEGCSA-N -1 3 281.271 2.788 20 30 CFEDHM CC(C)Oc1cncc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000093244572 375199045 /nfs/dbraw/zinc/19/90/45/375199045.db2.gz HOUCXGCSFLQYBE-AWEZNQCLSA-N -1 3 281.315 2.754 20 30 CFEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccccc1[O-] ZINC000118227303 376278841 /nfs/dbraw/zinc/27/88/41/376278841.db2.gz OIFVHZSGUWTPKK-UHFFFAOYSA-N -1 3 260.337 2.794 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451813326 383714227 /nfs/dbraw/zinc/71/42/27/383714227.db2.gz QVVQBLHOOOIHTI-UHFFFAOYSA-N -1 3 298.795 2.702 20 30 CFEDHM CCC(C#N)(CC)C(=O)NCc1cc(Cl)ccc1[O-] ZINC000529514781 383715960 /nfs/dbraw/zinc/71/59/60/383715960.db2.gz VYDVGFKLGLEMQN-UHFFFAOYSA-N -1 3 280.755 2.992 20 30 CFEDHM N#CC(=C([O-])c1cccnc1)c1ccc(C(F)(F)F)cn1 ZINC000122452538 376929552 /nfs/dbraw/zinc/92/95/52/376929552.db2.gz DHQGMYGIAHJXGI-LLVKDONJSA-N -1 3 291.232 2.985 20 30 CFEDHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)CC#N)cc(=O)oc12 ZINC000129549648 377442796 /nfs/dbraw/zinc/44/27/96/377442796.db2.gz DADFFMFOHWQZSR-JTQLQIEISA-N -1 3 286.331 2.541 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000132040762 377793518 /nfs/dbraw/zinc/79/35/18/377793518.db2.gz CFWKJMRSKOPKTL-KOLCDFICSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cnc([N-]C(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000152803772 378448309 /nfs/dbraw/zinc/44/83/09/378448309.db2.gz AIIKEABVSHRPIW-UHFFFAOYSA-N -1 3 279.271 2.854 20 30 CFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000328896227 378436501 /nfs/dbraw/zinc/43/65/01/378436501.db2.gz BXJTYLVVDFBIHK-ZDCRXTMVSA-N -1 3 279.340 2.555 20 30 CFEDHM CC(C)C[C@@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)CCO1 ZINC000329931540 378514032 /nfs/dbraw/zinc/51/40/32/378514032.db2.gz BIWUDOLYAKCQPE-VHSXEESVSA-N -1 3 284.381 2.747 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@]2(C)CCCOC2)c1 ZINC000330649218 378594269 /nfs/dbraw/zinc/59/42/69/378594269.db2.gz IVKCEISKKVMHSG-OAHLLOKOSA-N -1 3 263.337 2.828 20 30 CFEDHM CCN(CCC#N)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000164552997 379017050 /nfs/dbraw/zinc/01/70/50/379017050.db2.gz RGGUGRABGBNXNZ-UHFFFAOYSA-N -1 3 297.358 2.933 20 30 CFEDHM N#Cc1ccccc1C[S@](=O)c1ccc([O-])cc1 ZINC000335312745 379065862 /nfs/dbraw/zinc/06/58/62/379065862.db2.gz KXYBOOUNLPIEIK-SFHVURJKSA-N -1 3 257.314 2.572 20 30 CFEDHM CCc1onc(C)c1[N-]C(=O)c1cscc1C#N ZINC000334554949 379518337 /nfs/dbraw/zinc/51/83/37/379518337.db2.gz GHDWHKUNZUBSHC-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000334582406 379572056 /nfs/dbraw/zinc/57/20/56/379572056.db2.gz DHCJLMVQIGCNPO-UHFFFAOYSA-N -1 3 262.265 2.717 20 30 CFEDHM Cc1cccc(NC(=O)c2sccc2C#N)c1[O-] ZINC000174951461 379968952 /nfs/dbraw/zinc/96/89/52/379968952.db2.gz YWVSTGVGHJDJTR-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)n1 ZINC000279089627 194279506 /nfs/dbraw/zinc/27/95/06/194279506.db2.gz NHMDBTMTQWNMGB-NEPJUHHUSA-N -1 3 282.347 2.774 20 30 CFEDHM N#Cc1csc(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000180854182 380707651 /nfs/dbraw/zinc/70/76/51/380707651.db2.gz SFOWVIXBCPZRGC-UHFFFAOYSA-N -1 3 262.265 2.717 20 30 CFEDHM COC(=O)C1(C/N=C/c2ccccc2[O-])CCCCC1 ZINC000181281301 380769444 /nfs/dbraw/zinc/76/94/44/380769444.db2.gz ICGJCAXUUUQCNX-GZTJUZNOSA-N -1 3 275.348 2.935 20 30 CFEDHM Cc1ccnc2ccc(C([O-])=C(C#N)c3ccncn3)cc12 ZINC000354044699 381044192 /nfs/dbraw/zinc/04/41/92/381044192.db2.gz LUQRYBMPRYRKCN-CQSZACIVSA-N -1 3 288.310 2.823 20 30 CFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc([O-])c2)C1 ZINC000182460926 381091097 /nfs/dbraw/zinc/09/10/97/381091097.db2.gz RFGJIUNGODKZAK-ABAIWWIYSA-N -1 3 258.321 2.594 20 30 CFEDHM N#CCN(C(=O)Cc1ccc([O-])cc1Cl)C1CCCC1 ZINC000182481839 381097385 /nfs/dbraw/zinc/09/73/85/381097385.db2.gz NTNKHAUPYYSABC-UHFFFAOYSA-N -1 3 292.766 2.883 20 30 CFEDHM N#CC(=C([O-])c1ccc(Cl)cc1)c1ccncn1 ZINC000354457301 381283095 /nfs/dbraw/zinc/28/30/95/381283095.db2.gz ALXHRJXQULJKOP-NSHDSACASA-N -1 3 257.680 2.620 20 30 CFEDHM CC(C)ON=C([O-])Nc1cc(C#N)ccc1OC(F)F ZINC000296597919 381465402 /nfs/dbraw/zinc/46/54/02/381465402.db2.gz VZIQUAPJMLWERD-UHFFFAOYSA-N -1 3 285.250 2.621 20 30 CFEDHM CC(C)O[N-]C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000296597919 381465409 /nfs/dbraw/zinc/46/54/09/381465409.db2.gz VZIQUAPJMLWERD-UHFFFAOYSA-N -1 3 285.250 2.621 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000185087679 381531424 /nfs/dbraw/zinc/53/14/24/381531424.db2.gz UZHZXWXJYPCVLJ-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM N#CC(=C([O-])c1ccnc2ccncc21)c1ccccn1 ZINC000355107791 381615588 /nfs/dbraw/zinc/61/55/88/381615588.db2.gz ZGSROKKTOVHFOT-LBPRGKRZSA-N -1 3 274.283 2.515 20 30 CFEDHM CCc1ncsc1C(=O)[N-]c1snc(C)c1C#N ZINC000298561069 381674448 /nfs/dbraw/zinc/67/44/48/381674448.db2.gz GFERPIBZYWWCGH-UHFFFAOYSA-N -1 3 278.362 2.594 20 30 CFEDHM C#CCO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000291326602 381750263 /nfs/dbraw/zinc/75/02/63/381750263.db2.gz UBZPKONVBIPMBC-CYBMUJFWSA-N -1 3 275.348 2.650 20 30 CFEDHM C=C[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000361208022 381808124 /nfs/dbraw/zinc/80/81/24/381808124.db2.gz DVUROHOUELSDFT-QMMMGPOBSA-N -1 3 299.168 2.528 20 30 CFEDHM N#CC1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CCC1 ZINC000416345504 381887196 /nfs/dbraw/zinc/88/71/96/381887196.db2.gz HVKMNCVJJLSMDS-UHFFFAOYSA-N -1 3 284.359 2.695 20 30 CFEDHM CC(C)n1nccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000361654459 381854783 /nfs/dbraw/zinc/85/47/83/381854783.db2.gz KUPLEZQESGSCTA-LLVKDONJSA-N -1 3 293.330 2.830 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(OC)cc1[O-] ZINC000299307353 381891162 /nfs/dbraw/zinc/89/11/62/381891162.db2.gz RHMHLIXFNPTWRY-UHFFFAOYSA-N -1 3 289.253 2.591 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1ncc(C(C)(C)C)o1 ZINC000293118539 381996342 /nfs/dbraw/zinc/99/63/42/381996342.db2.gz DPACNJOYAHEZLM-UHFFFAOYSA-N -1 3 272.295 2.800 20 30 CFEDHM Cc1cc(C(=O)NCCc2cccc(C#N)c2)ccc1[O-] ZINC000343841104 381975839 /nfs/dbraw/zinc/97/58/39/381975839.db2.gz CKJFNPFJXMBLBL-UHFFFAOYSA-N -1 3 280.327 2.545 20 30 CFEDHM N#Cc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000416996257 381981546 /nfs/dbraw/zinc/98/15/46/381981546.db2.gz UMQSFUMOBXHAKQ-UHFFFAOYSA-N -1 3 266.304 2.543 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000293654049 382216819 /nfs/dbraw/zinc/21/68/19/382216819.db2.gz LBHSCPSWNMMSPZ-NSHDSACASA-N -1 3 285.265 2.977 20 30 CFEDHM C=CC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345922903 382322784 /nfs/dbraw/zinc/32/27/84/382322784.db2.gz FTGZPYIOVBGQMU-LLVKDONJSA-N -1 3 265.328 2.935 20 30 CFEDHM C#C[C@H](CC)NCc1cc([O-])ccc1Br ZINC000309214542 382489057 /nfs/dbraw/zinc/48/90/57/382489057.db2.gz UEAFUXXJRYZIRP-SNVBAGLBSA-N -1 3 268.154 2.656 20 30 CFEDHM C[C@]1(CNC(=O)c2cc(F)cc3nn[n-]c32)CCCS1 ZINC000328653693 382560191 /nfs/dbraw/zinc/56/01/91/382560191.db2.gz LEVVNEHCBLIKFF-CYBMUJFWSA-N -1 3 294.355 2.687 20 30 CFEDHM C[C@]1(CNC(=O)c2cc(F)cc3[n-]nnc32)CCCS1 ZINC000328653693 382560194 /nfs/dbraw/zinc/56/01/94/382560194.db2.gz LEVVNEHCBLIKFF-CYBMUJFWSA-N -1 3 294.355 2.687 20 30 CFEDHM C[C@]1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCCS1 ZINC000328653693 382560199 /nfs/dbraw/zinc/56/01/99/382560199.db2.gz LEVVNEHCBLIKFF-CYBMUJFWSA-N -1 3 294.355 2.687 20 30 CFEDHM CCCn1c(=O)[n-]nc1SCC#Cc1ccccc1 ZINC000358377439 382594269 /nfs/dbraw/zinc/59/42/69/382594269.db2.gz IVDBPWSKJCRPLQ-UHFFFAOYSA-N -1 3 273.361 2.538 20 30 CFEDHM CCOc1cc([O-])ccc1NC(=O)c1sccc1C#N ZINC000190991659 382687440 /nfs/dbraw/zinc/68/74/40/382687440.db2.gz GXWOAFWPGAIGBI-UHFFFAOYSA-N -1 3 288.328 2.976 20 30 CFEDHM C=C(C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000194032813 382733071 /nfs/dbraw/zinc/73/30/71/382733071.db2.gz SJLLMWUOQVCZQP-UHFFFAOYSA-N -1 3 259.227 2.717 20 30 CFEDHM N#Cc1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000577568165 382863112 /nfs/dbraw/zinc/86/31/12/382863112.db2.gz APGSGTQQGKKLAZ-UHFFFAOYSA-N -1 3 277.283 2.905 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231808104 382867001 /nfs/dbraw/zinc/86/70/01/382867001.db2.gz QBLPHTXOTYXIPZ-UHFFFAOYSA-N -1 3 265.787 2.564 20 30 CFEDHM C=CCN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000236603859 382897319 /nfs/dbraw/zinc/89/73/19/382897319.db2.gz QQRKJHDYAWRAFA-UHFFFAOYSA-N -1 3 251.713 2.836 20 30 CFEDHM CN(C)Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442615843 382938801 /nfs/dbraw/zinc/93/88/01/382938801.db2.gz DVQCRDYNAHZLJD-UHFFFAOYSA-N -1 3 295.342 2.578 20 30 CFEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000338176595 382943070 /nfs/dbraw/zinc/94/30/70/382943070.db2.gz VRFYHHHTKYDXMZ-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM CC[C@@H](CC#N)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000578878953 382962433 /nfs/dbraw/zinc/96/24/33/382962433.db2.gz JPTQWGNJCGOXIG-ZDUSSCGKSA-N -1 3 282.347 2.631 20 30 CFEDHM CCc1cccc(C(=O)N2CCC(CC#N)CC2)c1[O-] ZINC000542906923 382970709 /nfs/dbraw/zinc/97/07/09/382970709.db2.gz FETXJYZDLAHYHC-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000339108068 383151791 /nfs/dbraw/zinc/15/17/91/383151791.db2.gz FUEBMSOVXJATSM-JTQLQIEISA-N -1 3 298.433 2.724 20 30 CFEDHM C=CCCCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000562695103 383162092 /nfs/dbraw/zinc/16/20/92/383162092.db2.gz GPYDRULOOOBORA-UHFFFAOYSA-N -1 3 288.391 2.506 20 30 CFEDHM CC(C)Cn1cc([N-]c2nccc(C#N)n2)c(C(F)F)n1 ZINC000450411874 383398324 /nfs/dbraw/zinc/39/83/24/383398324.db2.gz OKAGFYZGGSDWMK-UHFFFAOYSA-N -1 3 292.293 2.882 20 30 CFEDHM CC#CCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000428026709 383420264 /nfs/dbraw/zinc/42/02/64/383420264.db2.gz FAUSNSMCAWSOJS-UHFFFAOYSA-N -1 3 293.779 2.935 20 30 CFEDHM CCCOc1cccnc1C([O-])=C(C#N)c1ccccn1 ZINC000429096130 383504667 /nfs/dbraw/zinc/50/46/67/383504667.db2.gz CTBOCPVXWITQIM-LBPRGKRZSA-N -1 3 281.315 2.755 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573107111 383873624 /nfs/dbraw/zinc/87/36/24/383873624.db2.gz QZGDIZPCLJWIRM-UHFFFAOYSA-N -1 3 298.364 2.620 20 30 CFEDHM COc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000436542353 383832229 /nfs/dbraw/zinc/83/22/29/383832229.db2.gz GKBLCAVCPSNZGX-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM C=C(C)CNC(=O)c1ccc(OCCCC)cc1[O-] ZINC000436978844 383899328 /nfs/dbraw/zinc/89/93/28/383899328.db2.gz JBLHOSNECSNXMX-UHFFFAOYSA-N -1 3 263.337 2.877 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000279698824 384726501 /nfs/dbraw/zinc/72/65/01/384726501.db2.gz JGGAJOJXXTUJBZ-BXUZGUMPSA-N -1 3 261.321 2.620 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C(C)C ZINC000269997789 384935635 /nfs/dbraw/zinc/93/56/35/384935635.db2.gz VIDAFZPZFMCENQ-GFCCVEGCSA-N -1 3 296.317 2.841 20 30 CFEDHM N#C[C@@H]1CC[C@@H](N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092112 385182644 /nfs/dbraw/zinc/18/26/44/385182644.db2.gz JRMZIOVWNBQOLO-CZUORRHYSA-N -1 3 298.386 2.979 20 30 CFEDHM Cc1cccc(NC(=O)c2cccc(F)c2C#N)c1[O-] ZINC000187333814 393552807 /nfs/dbraw/zinc/55/28/07/393552807.db2.gz CNXOMNCYSMHLDA-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM N#Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000050920529 393616192 /nfs/dbraw/zinc/61/61/92/393616192.db2.gz RICBACXDBVIMNT-UHFFFAOYSA-N -1 3 266.300 2.546 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404953658 393622756 /nfs/dbraw/zinc/62/27/56/393622756.db2.gz WUEGNFDKOQLAMK-UHFFFAOYSA-N -1 3 271.357 2.625 20 30 CFEDHM C=CCn1cccc1C(=O)N1CCCc2cccc([O-])c21 ZINC000335727627 393693548 /nfs/dbraw/zinc/69/35/48/393693548.db2.gz VOBWKQNBPVFAEN-UHFFFAOYSA-N -1 3 282.343 2.973 20 30 CFEDHM CN(C(=O)c1cc([O-])ccc1Cl)C1(C#N)CCC1 ZINC000335738286 393695643 /nfs/dbraw/zinc/69/56/43/393695643.db2.gz YJBNCNJLEASKEV-UHFFFAOYSA-N -1 3 264.712 2.564 20 30 CFEDHM N#Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426690094 393889529 /nfs/dbraw/zinc/88/95/29/393889529.db2.gz ZCVVECFLKXMAJE-AWEZNQCLSA-N -1 3 286.356 2.925 20 30 CFEDHM C=C[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345750049 393915949 /nfs/dbraw/zinc/91/59/49/393915949.db2.gz DCDHAGBYXHECBH-JTQLQIEISA-N -1 3 251.301 2.545 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(O[C@@H](C)CC)cc1 ZINC000416941090 393947093 /nfs/dbraw/zinc/94/70/93/393947093.db2.gz QADQVAIFMKISCL-SMDDNHRTSA-N -1 3 296.392 2.908 20 30 CFEDHM CCc1cc(=O)[n-]c(CN(CCC#N)CCC(C)C)n1 ZINC000121528216 393956438 /nfs/dbraw/zinc/95/64/38/393956438.db2.gz NGUNWFKZAMKLSE-UHFFFAOYSA-N -1 3 276.384 2.506 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(OC)c(Cl)c1 ZINC000417627397 393986728 /nfs/dbraw/zinc/98/67/28/393986728.db2.gz PEIGBVNKWFEBFA-NSHDSACASA-N -1 3 283.755 2.858 20 30 CFEDHM C=CC(C)(C)C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000648904488 395355637 /nfs/dbraw/zinc/35/56/37/395355637.db2.gz MEFXXWNWJVDFJN-UHFFFAOYSA-N -1 3 285.347 2.658 20 30 CFEDHM C=C(CC)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656768690 413202252 /nfs/dbraw/zinc/20/22/52/413202252.db2.gz WIHSYYRZVUSGFS-IHRRRGAJSA-N -1 3 251.370 2.918 20 30 CFEDHM Cc1nc(C(=O)N([O-])Cc2cccc3ccccc32)c[nH]1 ZINC000900091662 620636420 /nfs/dbraw/zinc/63/64/20/620636420.db2.gz GURSFKIBNIKJNL-UHFFFAOYSA-N -1 3 281.315 2.903 20 30 CFEDHM Cc1csc([N-]C(=O)c2cnc3nccnc3c2)c1C#N ZINC000344897469 162145407 /nfs/dbraw/zinc/14/54/07/162145407.db2.gz OYYVRFYPNSKIEM-UHFFFAOYSA-N -1 3 295.327 2.519 20 30 CFEDHM CCOc1cc([O-])ccc1NC(=O)c1cscc1C#N ZINC000349800394 163018350 /nfs/dbraw/zinc/01/83/50/163018350.db2.gz CUBAVFSDDSEKSB-UHFFFAOYSA-N -1 3 288.328 2.976 20 30 CFEDHM CCc1noc(C)c1C(=O)[N-]c1sccc1C#N ZINC000007781366 170302080 /nfs/dbraw/zinc/30/20/80/170302080.db2.gz DNPVISZEQFHCFU-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM C=CC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000652412730 413929561 /nfs/dbraw/zinc/92/95/61/413929561.db2.gz VVROTFQFQHDFCD-UHFFFAOYSA-N -1 3 251.351 2.844 20 30 CFEDHM C=C(C)CN(CC)Cc1cc(C(=O)[O-])oc1CC ZINC000652369973 413910866 /nfs/dbraw/zinc/91/08/66/413910866.db2.gz LFKDVWYNKWNNQJ-UHFFFAOYSA-N -1 3 251.326 2.938 20 30 CFEDHM N#CC(=C([O-])c1ccc(C2CC2)cc1)c1ccncn1 ZINC000659114505 414441171 /nfs/dbraw/zinc/44/11/71/414441171.db2.gz DXVKAEHJHZPTGB-AWEZNQCLSA-N -1 3 263.300 2.844 20 30 CFEDHM N#CC(=C([O-])c1ccc2nsnc2c1)c1ccccn1 ZINC000344416265 225052456 /nfs/dbraw/zinc/05/24/56/225052456.db2.gz CMFWKOOEUNVZLA-SNVBAGLBSA-N -1 3 280.312 2.576 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)cc1)c1ccncn1 ZINC000354462264 227001998 /nfs/dbraw/zinc/00/19/98/227001998.db2.gz HCYYLPGMGSNTNT-LLVKDONJSA-N -1 3 291.232 2.985 20 30 CFEDHM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1ccncn1 ZINC000354470511 227006847 /nfs/dbraw/zinc/00/68/47/227006847.db2.gz SANQESBBCQIOSS-CQSZACIVSA-N -1 3 288.310 2.522 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000088474877 260232740 /nfs/dbraw/zinc/23/27/40/260232740.db2.gz IWLRBFAZNLZZGX-GFCCVEGCSA-N -1 3 278.377 2.609 20 30 CFEDHM CC(C)(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000085433252 260374834 /nfs/dbraw/zinc/37/48/34/260374834.db2.gz NUKNFPHZQXUOOA-NSHDSACASA-N -1 3 266.291 2.833 20 30 CFEDHM COc1cccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1[O-] ZINC000152156241 261060464 /nfs/dbraw/zinc/06/04/64/261060464.db2.gz UDNAJJQWUZPRSB-ZBEGNZNMSA-N -1 3 288.347 2.603 20 30 CFEDHM N#CC1([N-]C(=O)C(F)(F)c2ccccc2)CCSCC1 ZINC000162681458 261291582 /nfs/dbraw/zinc/29/15/82/261291582.db2.gz APODUXRBRBVGEE-UHFFFAOYSA-N -1 3 296.342 2.684 20 30 CFEDHM CC[C@@H](/N=C/c1c([O-])ccc2ccccc21)C(=O)OC ZINC000176449579 261654152 /nfs/dbraw/zinc/65/41/52/261654152.db2.gz YIWFDJVJCKPEEN-NGWPFTMJSA-N -1 3 271.316 2.916 20 30 CFEDHM C[C@H]1COCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000277380746 263040940 /nfs/dbraw/zinc/04/09/40/263040940.db2.gz NFADEQAQHPROPQ-JNSOKJBWSA-N -1 3 298.180 2.999 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/C2CCC3(CC3)CC2)c1O ZINC000277376631 263040965 /nfs/dbraw/zinc/04/09/65/263040965.db2.gz AUZSKLWXVCAXEF-CXUHLZMHSA-N -1 3 261.321 2.945 20 30 CFEDHM Cc1ccc(C(=O)NCC2CCC(C#N)CC2)c([O-])c1 ZINC000282050940 263073816 /nfs/dbraw/zinc/07/38/16/263073816.db2.gz AMJIONNSLQMWQE-UHFFFAOYSA-N -1 3 272.348 2.760 20 30 CFEDHM [O-]c1ccc2ccccc2c1/C=N/CCC1(O)CCOCC1 ZINC000285584269 263094351 /nfs/dbraw/zinc/09/43/51/263094351.db2.gz SQUAXUXSVJSCOM-CPNJWEJPSA-N -1 3 299.370 2.896 20 30 CFEDHM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1ccccn1 ZINC000353519972 263110998 /nfs/dbraw/zinc/11/09/98/263110998.db2.gz OETDZCPLMZJQBP-LLVKDONJSA-N -1 3 269.304 2.992 20 30 CFEDHM N#C[C@]1(C(=O)Nc2ccccc2[O-])CC12CCCC2 ZINC000294707329 263166325 /nfs/dbraw/zinc/16/63/25/263166325.db2.gz ZJZZLQFLHXYJFS-HNNXBMFYSA-N -1 3 256.305 2.805 20 30 CFEDHM CCCOc1ccc(CN2CC(C)(C#N)C2)c([O-])c1 ZINC000297482675 263205686 /nfs/dbraw/zinc/20/56/86/263205686.db2.gz SKEANOQJBSTNRW-UHFFFAOYSA-N -1 3 260.337 2.526 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000340891941 263311814 /nfs/dbraw/zinc/31/18/14/263311814.db2.gz STHKVLHNFOEGCA-SSDOTTSWSA-N -1 3 280.176 2.846 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000340889634 263312117 /nfs/dbraw/zinc/31/21/17/263312117.db2.gz QBGBWMLLBXLEFE-SSDOTTSWSA-N -1 3 297.273 2.697 20 30 CFEDHM COC(=O)C1(NC(=O)c2ccccc2[O-])CCC(C)CC1 ZINC000331236768 264175422 /nfs/dbraw/zinc/17/54/22/264175422.db2.gz MOEZCSKUROWZCI-UHFFFAOYSA-N -1 3 291.347 2.819 20 30 CFEDHM COc1cccc(C(=O)NC2CCC(C(N)=O)CC2)c1[O-] ZINC000331239740 264176372 /nfs/dbraw/zinc/17/63/72/264176372.db2.gz OSRJTSKWJUZYTP-UHFFFAOYSA-N -1 3 292.335 2.799 20 30 CFEDHM COc1ccc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000331248620 264180277 /nfs/dbraw/zinc/18/02/77/264180277.db2.gz XEFQRVHLOHLJAX-PWSUYJOCSA-N -1 3 279.336 2.663 20 30 CFEDHM CC(C)(O)CCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331249906 264180940 /nfs/dbraw/zinc/18/09/40/264180940.db2.gz YHHXGGADCHORNV-UHFFFAOYSA-N -1 3 293.363 2.571 20 30 CFEDHM CCc1nc(C(C)(C)NC(=O)c2cccc(C)c2[O-])no1 ZINC000331265799 264185322 /nfs/dbraw/zinc/18/53/22/264185322.db2.gz HSJOHHRSOMPHCC-UHFFFAOYSA-N -1 3 289.335 2.886 20 30 CFEDHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H](C)O ZINC000331314226 264188177 /nfs/dbraw/zinc/18/81/77/264188177.db2.gz CPFZCBIWGKBKRP-CABZTGNLSA-N -1 3 293.363 2.570 20 30 CFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000126622171 264214945 /nfs/dbraw/zinc/21/49/45/264214945.db2.gz JQGMCGMQCNXVAM-UHFFFAOYSA-N -1 3 289.759 2.561 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1coc2ccccc12 ZINC000417624647 264535678 /nfs/dbraw/zinc/53/56/78/264535678.db2.gz KXQUXAMDUPVAFL-LBPRGKRZSA-N -1 3 259.305 2.942 20 30 CFEDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC1 ZINC000325399239 266079941 /nfs/dbraw/zinc/07/99/41/266079941.db2.gz KHQBFNMHVCTPRN-LBPRGKRZSA-N -1 3 298.433 2.867 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000336592567 275750827 /nfs/dbraw/zinc/75/08/27/275750827.db2.gz NKJVMOCKUIABMZ-LLVKDONJSA-N -1 3 261.321 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XUUIPKOMEXKUAM-UPONEAKYSA-N -1 3 287.241 2.744 20 30 CFEDHM CC[C@H]1CCC[C@@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000268080169 328182109 /nfs/dbraw/zinc/18/21/09/328182109.db2.gz FUGABAPEENEAEA-RZEZFHORSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2c3ccccc3O[C@@H]2C)c1[O-] ZINC000289945400 328256857 /nfs/dbraw/zinc/25/68/57/328256857.db2.gz OUCDDNVPBURAMG-KDIOZZRJSA-N -1 3 298.342 2.529 20 30 CFEDHM CCCOc1ccc(/C=N/C[C@H]2CCOC2)c([O-])c1 ZINC000298397323 328296145 /nfs/dbraw/zinc/29/61/45/328296145.db2.gz ICCUEDNVHFYJHI-HMHNVIDESA-N -1 3 263.337 2.636 20 30 CFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2ccc(Cl)o2)n1 ZINC000161127805 322347504 /nfs/dbraw/zinc/34/75/04/322347504.db2.gz REEBXPGQHXWFJD-UHFFFAOYSA-N -1 3 278.699 2.834 20 30 CFEDHM CCOc1cc(-c2noc(-c3ccc(C#N)o3)n2)ccc1[O-] ZINC000350589677 324238595 /nfs/dbraw/zinc/23/85/95/324238595.db2.gz ZVIURIDPVBHGGN-UHFFFAOYSA-N -1 3 297.270 2.973 20 30 CFEDHM CC(C)(C)CN(CCC#N)C(=O)/C=C\c1cncc([O-])c1 ZINC000255448077 326974858 /nfs/dbraw/zinc/97/48/58/326974858.db2.gz DSAXNKDUXATYRN-WAYWQWQTSA-N -1 3 287.363 2.589 20 30 CFEDHM C=CC[C@@H]1N(C(=O)Cc2cncc([O-])c2)CCCC1(C)C ZINC000574889807 327207861 /nfs/dbraw/zinc/20/78/61/327207861.db2.gz GGFUPWYYNYASNL-HNNXBMFYSA-N -1 3 288.391 2.923 20 30 CFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000565055604 327429650 /nfs/dbraw/zinc/42/96/50/327429650.db2.gz YBYUMGVWFQCYFK-UHFFFAOYSA-N -1 3 291.376 2.849 20 30 CFEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc([O-])ccc1Cl ZINC000233465305 329401133 /nfs/dbraw/zinc/40/11/33/329401133.db2.gz YCBRHWMBQLYMTJ-VIFPVBQESA-N -1 3 266.728 2.667 20 30 CFEDHM C=C(Br)CN(C)Cc1ccccc1[O-] ZINC000269659119 330070257 /nfs/dbraw/zinc/07/02/57/330070257.db2.gz SZXAUCJCBYJGFT-UHFFFAOYSA-N -1 3 256.143 2.733 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528330024 330318987 /nfs/dbraw/zinc/31/89/87/330318987.db2.gz SFUKUESSTJWORQ-JTQLQIEISA-N -1 3 297.152 2.577 20 30 CFEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(C)c1[O-] ZINC000119013190 330368816 /nfs/dbraw/zinc/36/88/16/330368816.db2.gz CFXZYPMPNFONOP-JTQLQIEISA-N -1 3 260.337 2.631 20 30 CFEDHM CCc1cccc(C)c1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000088474717 330376516 /nfs/dbraw/zinc/37/65/16/330376516.db2.gz SKPXAHLWZOPBDC-LBPRGKRZSA-N -1 3 266.366 2.601 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000122702090 330427476 /nfs/dbraw/zinc/42/74/76/330427476.db2.gz SJCLYHISGITPGR-VIFPVBQESA-N -1 3 273.423 2.898 20 30 CFEDHM C=CCC1(C(=O)Nc2cc(F)ccc2[O-])CCOCC1 ZINC000424755152 330466456 /nfs/dbraw/zinc/46/64/56/330466456.db2.gz QSSZDKXSTAYFHI-UHFFFAOYSA-N -1 3 279.311 2.843 20 30 CFEDHM C=CCn1c(SCc2oc(CCC)nc2C)n[n-]c1=O ZINC000450871343 331004001 /nfs/dbraw/zinc/00/40/01/331004001.db2.gz NCDDVGRWFJDPAQ-UHFFFAOYSA-N -1 3 294.380 2.711 20 30 CFEDHM C=C[C@@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459425826 331280886 /nfs/dbraw/zinc/28/08/86/331280886.db2.gz MFKVVGHLSPZTNL-CYBMUJFWSA-N -1 3 259.353 2.600 20 30 CFEDHM N#C[C@H]1CCC[C@@H]1NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459486483 331284382 /nfs/dbraw/zinc/28/43/82/331284382.db2.gz UYBSXUVWMQRGRA-HIFRSBDPSA-N -1 3 294.358 2.631 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C\c1cc(C)ccc1OC ZINC000493525988 332443666 /nfs/dbraw/zinc/44/36/66/332443666.db2.gz NTHGHHSSZXFYOM-VURMDHGXSA-N -1 3 261.321 2.641 20 30 CFEDHM CCOc1cc(CNC[C@H](C)C#N)cc(Cl)c1[O-] ZINC000521826971 333191479 /nfs/dbraw/zinc/19/14/79/333191479.db2.gz NUGGTIYJGWKCQE-SECBINFHSA-N -1 3 268.744 2.694 20 30 CFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc(F)c1F ZINC000550111468 334213485 /nfs/dbraw/zinc/21/34/85/334213485.db2.gz RFULXQGAGFYTGW-UHFFFAOYSA-N -1 3 288.319 2.646 20 30 CFEDHM C=C(C)[C@H](CC(=O)Nc1cccc(C(C)=O)c1[O-])OCC ZINC000579595662 335817144 /nfs/dbraw/zinc/81/71/44/335817144.db2.gz CPPUOVNWGPLLEK-AWEZNQCLSA-N -1 3 291.347 2.905 20 30 CFEDHM C=CCN(Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000382542071 336092959 /nfs/dbraw/zinc/09/29/59/336092959.db2.gz VIPLCKGGKPWQPR-UHFFFAOYSA-N -1 3 251.351 2.905 20 30 CFEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)c(CO)c1 ZINC001243250506 782098148 /nfs/dbraw/zinc/09/81/48/782098148.db2.gz YLTYZFOPULWEEN-CXUHLZMHSA-N -1 3 257.289 2.663 20 30 CFEDHM CC(C)(CC[N-]S(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000328567406 519218806 /nfs/dbraw/zinc/21/88/06/519218806.db2.gz NVHHDUUCDKYDNV-UHFFFAOYSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2ccnc(C#N)c2)c1[O-] ZINC000193692397 524876876 /nfs/dbraw/zinc/87/68/76/524876876.db2.gz GKUTYPWQYCAHDD-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM N#Cc1cnc(C(=O)Nc2ccc([O-])cc2F)c(Cl)c1 ZINC000360855779 526772286 /nfs/dbraw/zinc/77/22/86/526772286.db2.gz WZZJQKSABUCUSR-UHFFFAOYSA-N -1 3 291.669 2.704 20 30 CFEDHM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1ccccn1 ZINC000344731778 526852767 /nfs/dbraw/zinc/85/27/67/526852767.db2.gz HEPCGTJGEKZXNL-SNVBAGLBSA-N -1 3 268.320 2.592 20 30 CFEDHM CCCc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000355095070 528597779 /nfs/dbraw/zinc/59/77/79/528597779.db2.gz HGEAOVXTMHHAHL-AWEZNQCLSA-N -1 3 265.316 2.919 20 30 CFEDHM CCCc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000355095074 528599364 /nfs/dbraw/zinc/59/93/64/528599364.db2.gz HGEAOVXTMHHAHL-CQSZACIVSA-N -1 3 265.316 2.919 20 30 CFEDHM CC(C)[C@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000332682325 528906995 /nfs/dbraw/zinc/90/69/95/528906995.db2.gz MWTKHNXIYANIKS-AWEZNQCLSA-N -1 3 272.348 2.549 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)c1 ZINC000744029971 574049974 /nfs/dbraw/zinc/04/99/74/574049974.db2.gz YQYNAIOQPJYZRG-DANTVBBOSA-N -1 3 268.316 2.609 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])C3=COCCC3)nc21 ZINC000744159345 574057111 /nfs/dbraw/zinc/05/71/11/574057111.db2.gz BTQSFRXSRXZKBW-GFCCVEGCSA-N -1 3 281.315 2.742 20 30 CFEDHM CCOc1ccc(/C=N/CCOC(C)C)c([O-])c1 ZINC000753996582 574062161 /nfs/dbraw/zinc/06/21/61/574062161.db2.gz WNJXCLUGXYBCHN-XNTDXEJSSA-N -1 3 251.326 2.635 20 30 CFEDHM N#Cc1cc(N=Cc2cccc([O-])c2O)ccc1F ZINC000728174408 574084270 /nfs/dbraw/zinc/08/42/70/574084270.db2.gz PYBUMGJBTNGOFP-UHFFFAOYSA-N -1 3 256.236 2.859 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737718945 574091933 /nfs/dbraw/zinc/09/19/33/574091933.db2.gz AZWFCHXNIAWRLN-LBPRGKRZSA-N -1 3 287.363 2.693 20 30 CFEDHM Cc1cc(N=NC(C)c2ccc([O-])c(F)c2)nc(C)n1 ZINC000728429995 574095690 /nfs/dbraw/zinc/09/56/90/574095690.db2.gz VVKUZWIFVILZQR-UHFFFAOYSA-N -1 3 274.299 2.774 20 30 CFEDHM CCC(=NN=C(C)c1cnccn1)c1ccc([O-])cc1 ZINC000745201945 574106526 /nfs/dbraw/zinc/10/65/26/574106526.db2.gz OOWZCQXAVLHGKK-UHFFFAOYSA-N -1 3 268.320 2.806 20 30 CFEDHM Cc1ccc([O-])c(C=NN=c2nc[nH]c3sccc32)n1 ZINC000728778328 574108800 /nfs/dbraw/zinc/10/88/00/574108800.db2.gz CEZNOYFFZSYBOC-UHFFFAOYSA-N -1 3 285.332 2.546 20 30 CFEDHM C[C@]1(c2ccccc2)C[C@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000741465829 574120596 /nfs/dbraw/zinc/12/05/96/574120596.db2.gz YVXPICIZBMATOD-JPZRGBGSSA-N -1 3 283.327 2.953 20 30 CFEDHM COc1ccc(C(C)=NOCc2cccnc2)c([O-])c1 ZINC000746585408 574156283 /nfs/dbraw/zinc/15/62/83/574156283.db2.gz FCODHPGKZTUKRV-UHFFFAOYSA-N -1 3 272.304 2.737 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000755442919 574162376 /nfs/dbraw/zinc/16/23/76/574162376.db2.gz MRGSZKJTHIYXAS-MYSGNRETSA-N -1 3 278.377 2.515 20 30 CFEDHM COc1ccc([C@@H](C)OC(=O)c2ccc(C#N)[n-]2)cc1 ZINC000752488593 574166113 /nfs/dbraw/zinc/16/61/13/574166113.db2.gz WFAPURYRCBAYRR-SNVBAGLBSA-N -1 3 270.288 2.813 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)c1ccccc1C ZINC000732713834 574166752 /nfs/dbraw/zinc/16/67/52/574166752.db2.gz MFOBQCUISIOOSH-LTKMBJGESA-N -1 3 285.343 2.862 20 30 CFEDHM N#Cc1ccc(NN=Cc2cc(F)ccc2[O-])cc1 ZINC000755644119 574174274 /nfs/dbraw/zinc/17/42/74/574174274.db2.gz GOIFZQDYODWFLJ-UHFFFAOYSA-N -1 3 255.252 2.849 20 30 CFEDHM C=CCOCC(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000732829062 574174629 /nfs/dbraw/zinc/17/46/29/574174629.db2.gz ARBBPFZTSSSQAO-UHFFFAOYSA-N -1 3 276.267 2.622 20 30 CFEDHM [O-]c1ccc(C=NNc2cccc3cnccc32)nc1 ZINC000755699342 574179212 /nfs/dbraw/zinc/17/92/12/574179212.db2.gz PVLUKSDHVFPVGS-UHFFFAOYSA-N -1 3 264.288 2.781 20 30 CFEDHM C[C@@H](NC(=S)NN=Cc1c([O-])cccc1Cl)C1CC1 ZINC000755766969 574185940 /nfs/dbraw/zinc/18/59/40/574185940.db2.gz HPRPSMSAJPYTEC-MRVPVSSYSA-N -1 3 297.811 2.642 20 30 CFEDHM N#CCCCN[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000739073505 574196833 /nfs/dbraw/zinc/19/68/33/574196833.db2.gz TZDOQAZEQDCWJZ-NSHDSACASA-N -1 3 286.253 2.724 20 30 CFEDHM N#Cc1ccc([C@@H](NC/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000739108268 574198665 /nfs/dbraw/zinc/19/86/65/574198665.db2.gz UZVGUOMWPKOKTM-BBOMDTFKSA-N -1 3 292.338 2.987 20 30 CFEDHM CC(C)[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000747753230 574210231 /nfs/dbraw/zinc/21/02/31/574210231.db2.gz DKZXSGXCWQDIJX-AWEZNQCLSA-N -1 3 294.420 2.918 20 30 CFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C1CCC1 ZINC000748115722 574229936 /nfs/dbraw/zinc/22/99/36/574229936.db2.gz VCKHUIGINKBHFE-AWEZNQCLSA-N -1 3 267.328 2.796 20 30 CFEDHM COc1cccc([O-])c1/C=N\CC1(SC)CCOCC1 ZINC000741755149 574238089 /nfs/dbraw/zinc/23/80/89/574238089.db2.gz ZGWRXINJJRPPSX-YBEGLDIGSA-N -1 3 295.404 2.732 20 30 CFEDHM CN1CCC[C@H](/N=C\c2c([O-])ccc3ccccc32)C1=O ZINC000748286102 574245203 /nfs/dbraw/zinc/24/52/03/574245203.db2.gz PXOPVJYYOPAMDS-GZQZNAIASA-N -1 3 282.343 2.585 20 30 CFEDHM [O-]c1c(O)cccc1C=NNc1ccnc2ccccc21 ZINC000730147596 574255486 /nfs/dbraw/zinc/25/54/86/574255486.db2.gz GBOCQQUKRUZNDJ-UHFFFAOYSA-N -1 3 279.299 2.514 20 30 CFEDHM [O-]c1c(O)cccc1C=NNCc1cccc(Cl)c1 ZINC000756827032 574266253 /nfs/dbraw/zinc/26/62/53/574266253.db2.gz IDNOVVPGOVNXBA-UHFFFAOYSA-N -1 3 276.723 2.875 20 30 CFEDHM COc1ccc(C(C)=NNc2ccncc2Cl)c([O-])c1 ZINC000756837608 574266707 /nfs/dbraw/zinc/26/67/07/574266707.db2.gz BICFUTFHIYKOQL-UHFFFAOYSA-N -1 3 291.738 2.707 20 30 CFEDHM N#Cc1c([N-]C(=O)c2ncccn2)sc2c1CCCCC2 ZINC000748792467 574266967 /nfs/dbraw/zinc/26/69/67/574266967.db2.gz LSXKGZIEBBKOSA-UHFFFAOYSA-N -1 3 298.371 2.931 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\CC2Cc3ccccc3C2)c1O ZINC000735228643 574315996 /nfs/dbraw/zinc/31/59/96/574315996.db2.gz DKDJGQBJJVQVKU-ZDLGFXPLSA-N -1 3 283.327 2.637 20 30 CFEDHM C#CCN(CC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750044945 574322227 /nfs/dbraw/zinc/32/22/27/574322227.db2.gz DFWHUNMPFKQVRD-UHFFFAOYSA-N -1 3 265.740 2.703 20 30 CFEDHM C=CCCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735412514 574322586 /nfs/dbraw/zinc/32/25/86/574322586.db2.gz DZHHNUHGXGVUNG-UHFFFAOYSA-N -1 3 280.335 2.696 20 30 CFEDHM C=CCCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735412514 574322588 /nfs/dbraw/zinc/32/25/88/574322588.db2.gz DZHHNUHGXGVUNG-UHFFFAOYSA-N -1 3 280.335 2.696 20 30 CFEDHM C=CCCCNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735413534 574322845 /nfs/dbraw/zinc/32/28/45/574322845.db2.gz WNKMRXBXPRJBRL-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM C=CCCCNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735413534 574322847 /nfs/dbraw/zinc/32/28/47/574322847.db2.gz WNKMRXBXPRJBRL-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM C=CCCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735412818 574322951 /nfs/dbraw/zinc/32/29/51/574322951.db2.gz LIJDTNUSJJVSJC-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=CCCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735412818 574322953 /nfs/dbraw/zinc/32/29/53/574322953.db2.gz LIJDTNUSJJVSJC-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM CCOc1ccc(/C=N/CC(C)(C)OC)c([O-])c1 ZINC000743042180 574352117 /nfs/dbraw/zinc/35/21/17/574352117.db2.gz HVVOVFCHJUCOLZ-OQLLNIDSSA-N -1 3 251.326 2.635 20 30 CFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2cccc3F)cc1 ZINC000750921295 574362959 /nfs/dbraw/zinc/36/29/59/574362959.db2.gz GCJZKNHWSMOYJG-UHFFFAOYSA-N -1 3 285.278 2.603 20 30 CFEDHM COc1ccc(NN=Cc2cccc(O)c2[O-])cc1 ZINC000750946531 574365213 /nfs/dbraw/zinc/36/52/13/574365213.db2.gz SKIWCWQEAHJREZ-UHFFFAOYSA-N -1 3 258.277 2.552 20 30 CFEDHM O=C(N[O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000743798008 574372377 /nfs/dbraw/zinc/37/23/77/574372377.db2.gz VZFHHKSTMZVMRK-UHFFFAOYSA-N -1 3 254.698 2.583 20 30 CFEDHM CC(C)CCN(CCC#N)C(=O)c1cc([O-])cs1 ZINC000752820019 574395284 /nfs/dbraw/zinc/39/52/84/574395284.db2.gz QXTCKJYAMAXVRW-UHFFFAOYSA-N -1 3 266.366 2.856 20 30 CFEDHM O=C(Cn1ncc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000900094349 620637222 /nfs/dbraw/zinc/63/72/22/620637222.db2.gz MDASPNAVPXHMSF-UHFFFAOYSA-N -1 3 299.305 2.593 20 30 CFEDHM O=C(Cc1ccccc1F)N([O-])Cc1ccc(F)cc1 ZINC000900096041 620637575 /nfs/dbraw/zinc/63/75/75/620637575.db2.gz PFDPKPCJBFUWNP-UHFFFAOYSA-N -1 3 277.270 2.925 20 30 CFEDHM CC(C)(O)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096266 620637702 /nfs/dbraw/zinc/63/77/02/620637702.db2.gz XSFKNMIMKHOCEB-UHFFFAOYSA-N -1 3 292.162 2.872 20 30 CFEDHM CC(C)(C#N)CCSc1ccccc1-c1nnn[n-]1 ZINC000819892202 599346336 /nfs/dbraw/zinc/34/63/36/599346336.db2.gz YWVHRDIIDJZXCG-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM CC(C)(C#N)CCSc1ccccc1-c1nn[n-]n1 ZINC000819892202 599346338 /nfs/dbraw/zinc/34/63/38/599346338.db2.gz YWVHRDIIDJZXCG-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM CCC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820847659 599689679 /nfs/dbraw/zinc/68/96/79/599689679.db2.gz INXGQSUNPYSGCK-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CCC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820847659 599689680 /nfs/dbraw/zinc/68/96/80/599689680.db2.gz INXGQSUNPYSGCK-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000822924071 607455498 /nfs/dbraw/zinc/45/54/98/607455498.db2.gz WNJDNKHVWMPJIF-CMDGGOBGSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000822924071 607455500 /nfs/dbraw/zinc/45/55/00/607455500.db2.gz WNJDNKHVWMPJIF-CMDGGOBGSA-N -1 3 294.289 2.902 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000822225168 607458560 /nfs/dbraw/zinc/45/85/60/607458560.db2.gz QZXUXLYEGYJSTH-AATRIKPKSA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000822225168 607458561 /nfs/dbraw/zinc/45/85/61/607458561.db2.gz QZXUXLYEGYJSTH-AATRIKPKSA-N -1 3 298.277 2.803 20 30 CFEDHM CCC[C@](C)(NCC#Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000829193937 601417744 /nfs/dbraw/zinc/41/77/44/601417744.db2.gz OKZOVBFSTSJDJE-HNNXBMFYSA-N -1 3 279.767 2.925 20 30 CFEDHM C#CCN(Cc1ccsc1C(=O)[O-])C1CCCC1 ZINC000688846139 601663914 /nfs/dbraw/zinc/66/39/14/601663914.db2.gz IRSRUAGJKITSOQ-UHFFFAOYSA-N -1 3 263.362 2.824 20 30 CFEDHM C=CCN(Cc1ccccc1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375888 604822493 /nfs/dbraw/zinc/82/24/93/604822493.db2.gz ILCAKTRITNGGBA-HNNXBMFYSA-N -1 3 287.359 2.822 20 30 CFEDHM C[C@@H](CN(CC#Cc1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000833516190 604869877 /nfs/dbraw/zinc/86/98/77/604869877.db2.gz HLXQECMJIXDMJO-LBPRGKRZSA-N -1 3 291.778 2.877 20 30 CFEDHM CCCCCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000900457841 620678950 /nfs/dbraw/zinc/67/89/50/620678950.db2.gz XJEZGCBOKRYCIO-ZIAGYGMSSA-N -1 3 298.427 2.530 20 30 CFEDHM CCc1ccccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821497234 606205470 /nfs/dbraw/zinc/20/54/70/606205470.db2.gz RBZSBKWYHIRMDE-UHFFFAOYSA-N -1 3 298.375 2.937 20 30 CFEDHM CCc1ccccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821497234 606205471 /nfs/dbraw/zinc/20/54/71/606205471.db2.gz RBZSBKWYHIRMDE-UHFFFAOYSA-N -1 3 298.375 2.937 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccsc1 ZINC000822923829 606306433 /nfs/dbraw/zinc/30/64/33/606306433.db2.gz VMEGMNDDXXPFGW-OWOJBTEDSA-N -1 3 288.357 2.886 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccsc1 ZINC000822923829 606306435 /nfs/dbraw/zinc/30/64/35/606306435.db2.gz VMEGMNDDXXPFGW-OWOJBTEDSA-N -1 3 288.357 2.886 20 30 CFEDHM C#Cc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819709785 606442358 /nfs/dbraw/zinc/44/23/58/606442358.db2.gz PCBCBADKJPVQDO-UHFFFAOYSA-N -1 3 293.305 2.599 20 30 CFEDHM C#Cc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819709785 606442360 /nfs/dbraw/zinc/44/23/60/606442360.db2.gz PCBCBADKJPVQDO-UHFFFAOYSA-N -1 3 293.305 2.599 20 30 CFEDHM N#CCCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000822805757 606822808 /nfs/dbraw/zinc/82/28/08/606822808.db2.gz BYDRZBDNJZDRNP-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM N#CCCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000822805757 606822810 /nfs/dbraw/zinc/82/28/10/606822810.db2.gz BYDRZBDNJZDRNP-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM C=CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819758741 606852591 /nfs/dbraw/zinc/85/25/91/606852591.db2.gz GOUJKGJLOVMUHP-UHFFFAOYSA-N -1 3 252.730 2.798 20 30 CFEDHM C=CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819758741 606852592 /nfs/dbraw/zinc/85/25/92/606852592.db2.gz GOUJKGJLOVMUHP-UHFFFAOYSA-N -1 3 252.730 2.798 20 30 CFEDHM Fc1ccc(CCN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822766955 607036912 /nfs/dbraw/zinc/03/69/12/607036912.db2.gz QJYGNCKKGUXJQY-UHFFFAOYSA-N -1 3 296.309 2.646 20 30 CFEDHM Fc1ccc(CCN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822766955 607036913 /nfs/dbraw/zinc/03/69/13/607036913.db2.gz QJYGNCKKGUXJQY-UHFFFAOYSA-N -1 3 296.309 2.646 20 30 CFEDHM C=CCC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823894541 607779789 /nfs/dbraw/zinc/77/97/89/607779789.db2.gz SQXLKXHDDDNROG-CQSZACIVSA-N -1 3 298.346 2.768 20 30 CFEDHM C=CCC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823894541 607779790 /nfs/dbraw/zinc/77/97/90/607779790.db2.gz SQXLKXHDDDNROG-CQSZACIVSA-N -1 3 298.346 2.768 20 30 CFEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)Cc2ccccc21 ZINC000826476924 607883929 /nfs/dbraw/zinc/88/39/29/607883929.db2.gz RZJJXMIDPYMOMQ-RAXLEYEMSA-N -1 3 288.310 2.689 20 30 CFEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)Cc2ccccc21 ZINC000826476924 607883930 /nfs/dbraw/zinc/88/39/30/607883930.db2.gz RZJJXMIDPYMOMQ-RAXLEYEMSA-N -1 3 288.310 2.689 20 30 CFEDHM C=CCCOCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823898784 607934634 /nfs/dbraw/zinc/93/46/34/607934634.db2.gz BAPQRNARDUNJLO-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=CCCOCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823898784 607934635 /nfs/dbraw/zinc/93/46/35/607934635.db2.gz BAPQRNARDUNJLO-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM CC#CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823942906 608205252 /nfs/dbraw/zinc/20/52/52/608205252.db2.gz LBKXXFPNIJUSNO-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM CC#CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823942906 608205254 /nfs/dbraw/zinc/20/52/54/608205254.db2.gz LBKXXFPNIJUSNO-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM C=CCC[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823894880 608275232 /nfs/dbraw/zinc/27/52/32/608275232.db2.gz ZAFCWGDTMFGXCF-LLVKDONJSA-N -1 3 286.335 2.687 20 30 CFEDHM C=CCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823894880 608275233 /nfs/dbraw/zinc/27/52/33/608275233.db2.gz ZAFCWGDTMFGXCF-LLVKDONJSA-N -1 3 286.335 2.687 20 30 CFEDHM C=C(CC)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823883511 608289469 /nfs/dbraw/zinc/28/94/69/608289469.db2.gz RRCVFHMGSVKUGP-UHFFFAOYSA-N -1 3 280.335 2.696 20 30 CFEDHM C=C(CC)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823883511 608289470 /nfs/dbraw/zinc/28/94/70/608289470.db2.gz RRCVFHMGSVKUGP-UHFFFAOYSA-N -1 3 280.335 2.696 20 30 CFEDHM C#CCCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000823842166 608321333 /nfs/dbraw/zinc/32/13/33/608321333.db2.gz YDKARHQXTKSPNY-UHFFFAOYSA-N -1 3 276.340 2.652 20 30 CFEDHM C#CCCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000823842166 608321336 /nfs/dbraw/zinc/32/13/36/608321336.db2.gz YDKARHQXTKSPNY-UHFFFAOYSA-N -1 3 276.340 2.652 20 30 CFEDHM CCCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825234012 608538540 /nfs/dbraw/zinc/53/85/40/608538540.db2.gz VBTRYBOGTAPSTI-UHFFFAOYSA-N -1 3 279.735 2.503 20 30 CFEDHM CCCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825234012 608538541 /nfs/dbraw/zinc/53/85/41/608538541.db2.gz VBTRYBOGTAPSTI-UHFFFAOYSA-N -1 3 279.735 2.503 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000900683016 620701589 /nfs/dbraw/zinc/70/15/89/620701589.db2.gz SKBRLGPIIRHLBM-QWHCGFSZSA-N -1 3 278.308 2.716 20 30 CFEDHM CC(C)[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000900679607 620701647 /nfs/dbraw/zinc/70/16/47/620701647.db2.gz SGJCKQLAHRSFFP-ZFWWWQNUSA-N -1 3 295.354 2.995 20 30 CFEDHM C=C(C)CN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823878256 609317400 /nfs/dbraw/zinc/31/74/00/609317400.db2.gz UFNAXWKGTQIFBX-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM C=C(C)CN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823878256 609317401 /nfs/dbraw/zinc/31/74/01/609317401.db2.gz UFNAXWKGTQIFBX-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM Clc1cc(NN=Cc2ccoc2)ccc1-c1nnn[n-]1 ZINC000826351347 609471832 /nfs/dbraw/zinc/47/18/32/609471832.db2.gz JBSONLDFASJIQE-UHFFFAOYSA-N -1 3 288.698 2.559 20 30 CFEDHM Clc1cc(NN=Cc2ccoc2)ccc1-c1nn[n-]n1 ZINC000826351347 609471834 /nfs/dbraw/zinc/47/18/34/609471834.db2.gz JBSONLDFASJIQE-UHFFFAOYSA-N -1 3 288.698 2.559 20 30 CFEDHM C#CCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000823841958 609577845 /nfs/dbraw/zinc/57/78/45/609577845.db2.gz WGVDDVOZEGSRAQ-UHFFFAOYSA-N -1 3 297.362 2.697 20 30 CFEDHM C#CCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000823841958 609577847 /nfs/dbraw/zinc/57/78/47/609577847.db2.gz WGVDDVOZEGSRAQ-UHFFFAOYSA-N -1 3 297.362 2.697 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891479479 617629549 /nfs/dbraw/zinc/62/95/49/617629549.db2.gz NBXZDEJCQWOKAQ-UHFFFAOYSA-N -1 3 289.314 2.547 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891479479 617629551 /nfs/dbraw/zinc/62/95/51/617629551.db2.gz NBXZDEJCQWOKAQ-UHFFFAOYSA-N -1 3 289.314 2.547 20 30 CFEDHM C=C(C)CNN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000811651239 617663535 /nfs/dbraw/zinc/66/35/35/617663535.db2.gz NICPPAFYZBALKC-UHFFFAOYSA-N -1 3 299.168 2.663 20 30 CFEDHM CC(=NNC[C@@H]1CCSC1)c1cc(F)ccc1[O-] ZINC000811659471 617690582 /nfs/dbraw/zinc/69/05/82/617690582.db2.gz SYKQMHVYLFXTNY-JTQLQIEISA-N -1 3 268.357 2.598 20 30 CFEDHM [O-]c1ccc2c(c1F)CCC2=NOC/C=C/Cl ZINC000811669129 617697425 /nfs/dbraw/zinc/69/74/25/617697425.db2.gz CHCPBSZQGCFLOB-HNTMTZMXSA-N -1 3 255.676 2.951 20 30 CFEDHM CC(=NOCCOC(C)C)c1ccc(F)c([O-])c1 ZINC000901245967 620771040 /nfs/dbraw/zinc/77/10/40/620771040.db2.gz KCILOCXMPJOBSZ-UHFFFAOYSA-N -1 3 255.289 2.697 20 30 CFEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc(F)c([O-])c1 ZINC000901249805 620771743 /nfs/dbraw/zinc/77/17/43/620771743.db2.gz IIZYQRPVWKXZAE-ZETCQYMHSA-N -1 3 264.222 2.796 20 30 CFEDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H](C)C#N ZINC000050153266 618079254 /nfs/dbraw/zinc/07/92/54/618079254.db2.gz CQSSDRNQIDYQOA-JTQLQIEISA-N -1 3 278.327 2.715 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NNC2CCSCC2)c1 ZINC000901276041 620774914 /nfs/dbraw/zinc/77/49/14/620774914.db2.gz ICALEQCERQMLIP-UHFFFAOYSA-N -1 3 270.785 2.865 20 30 CFEDHM O=C(c1cccnn1)N([O-])Cc1cccc2ccccc21 ZINC000901369725 620797026 /nfs/dbraw/zinc/79/70/26/620797026.db2.gz GQAVHGRFFWNMDF-UHFFFAOYSA-N -1 3 279.299 2.661 20 30 CFEDHM CC1(C)CC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372153 620797247 /nfs/dbraw/zinc/79/72/47/620797247.db2.gz SHFFKCWSCSVQOW-LBPRGKRZSA-N -1 3 251.301 2.980 20 30 CFEDHM C[C@H]1CC[C@H](CCC(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372194 620797395 /nfs/dbraw/zinc/79/73/95/620797395.db2.gz UIBIVWMLXOCOLG-SMDDNHRTSA-N -1 3 281.327 2.891 20 30 CFEDHM CCOC1CC2(C[C@@H]2C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372356 620797535 /nfs/dbraw/zinc/79/75/35/620797535.db2.gz CODSFAABCIAPOZ-NPCAHTBFSA-N -1 3 293.338 2.749 20 30 CFEDHM O=C(c1ccc2nccnc2c1)N([O-])Cc1ccc(F)cc1 ZINC000901375837 620798560 /nfs/dbraw/zinc/79/85/60/620798560.db2.gz LRGQIRGGCSMYMD-UHFFFAOYSA-N -1 3 297.289 2.801 20 30 CFEDHM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1ccccn1 ZINC000892484005 618363917 /nfs/dbraw/zinc/36/39/17/618363917.db2.gz XHUIJDXFFUOSNY-LBPRGKRZSA-N -1 3 280.331 2.794 20 30 CFEDHM Cc1cc2cc(CN[C@H]3CCCN([O-])C3=O)oc2cc1C ZINC000895165554 618416830 /nfs/dbraw/zinc/41/68/30/618416830.db2.gz LSOKURTUEQDGGQ-AWEZNQCLSA-N -1 3 288.347 2.519 20 30 CFEDHM Cc1nc2c(c(=O)[n-]1)CN(CC#Cc1ccc(Cl)cc1)C2 ZINC000931312130 618939197 /nfs/dbraw/zinc/93/91/97/618939197.db2.gz PPGNZTMTNBOIFE-UHFFFAOYSA-N -1 3 299.761 2.511 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000726559958 619251239 /nfs/dbraw/zinc/25/12/39/619251239.db2.gz RLTUGWMOTBRZGW-GFCCVEGCSA-N -1 3 266.291 2.833 20 30 CFEDHM N#Cc1cc2c(nc1NCc1c([O-])cccc1F)CCC2 ZINC000895837461 619620739 /nfs/dbraw/zinc/62/07/39/619620739.db2.gz KWZIEIGYRXRUJX-UHFFFAOYSA-N -1 3 283.306 2.899 20 30 CFEDHM C#CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC000928625695 619807268 /nfs/dbraw/zinc/80/72/68/619807268.db2.gz ZVRRPJLMLJHAHM-UHFFFAOYSA-N -1 3 285.265 2.895 20 30 CFEDHM CC(C)OC(=O)[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000840709074 619885792 /nfs/dbraw/zinc/88/57/92/619885792.db2.gz HEOHMKSYCXWDGY-HXBVQPGFSA-N -1 3 269.728 2.805 20 30 CFEDHM Cc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1C ZINC000840714445 619942466 /nfs/dbraw/zinc/94/24/66/619942466.db2.gz IXXRWAUIYKJQJQ-MDXIRLPMSA-N -1 3 286.306 2.957 20 30 CFEDHM Cc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1C ZINC000840714447 619942940 /nfs/dbraw/zinc/94/29/40/619942940.db2.gz IXXRWAUIYKJQJQ-MXFUOJGSSA-N -1 3 286.306 2.957 20 30 CFEDHM CCc1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)c([O-])c1 ZINC000928806308 620018393 /nfs/dbraw/zinc/01/83/93/620018393.db2.gz RJBYPABQINETAH-LLVKDONJSA-N -1 3 286.253 2.529 20 30 CFEDHM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888120220 620122939 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CCc1c(C(=O)N([O-])Cc2ccc(F)cc2)ccn1C ZINC000904177322 621542968 /nfs/dbraw/zinc/54/29/68/621542968.db2.gz AXYYRKYLECPBDH-UHFFFAOYSA-N -1 3 276.311 2.758 20 30 CFEDHM O=C([C@H]1CCc2cccnc21)N([O-])Cc1ccc(F)cc1 ZINC000904177675 621542997 /nfs/dbraw/zinc/54/29/97/621542997.db2.gz LHVXMBBSPDYFPS-AWEZNQCLSA-N -1 3 286.306 2.669 20 30 CFEDHM CO[C@H]1CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178104 621543538 /nfs/dbraw/zinc/54/35/38/621543538.db2.gz ZBJQLWCMXVJTHR-KBPBESRZSA-N -1 3 281.327 2.749 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC000904208423 621544410 /nfs/dbraw/zinc/54/44/10/621544410.db2.gz YWUPSWWKQLXCDI-OAHLLOKOSA-N -1 3 292.379 2.580 20 30 CFEDHM CCCCN([O-])C(=O)CCc1nc2ccccc2o1 ZINC000904208406 621544551 /nfs/dbraw/zinc/54/45/51/621544551.db2.gz YBOYYCSOGMFQLY-UHFFFAOYSA-N -1 3 262.309 2.778 20 30 CFEDHM CCCCN([O-])C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000904210614 621545046 /nfs/dbraw/zinc/54/50/46/621545046.db2.gz UQHMVFDVJAKXAS-UHFFFAOYSA-N -1 3 264.300 2.867 20 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CFEDHM CCCCCCN([O-])C(=O)c1cn(C2CC2)c(C)cc1=O ZINC000904204513 621550387 /nfs/dbraw/zinc/55/03/87/621550387.db2.gz NDZQZOQADGMGJK-UHFFFAOYSA-N -1 3 292.379 2.903 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000904205375 621551084 /nfs/dbraw/zinc/55/10/84/621551084.db2.gz KCXWQKGRRTUPPC-LLVKDONJSA-N -1 3 298.408 2.665 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCCN1C(=O)CC ZINC000904205830 621551145 /nfs/dbraw/zinc/55/11/45/621551145.db2.gz UWVNTRLJLHXESB-ZDUSSCGKSA-N -1 3 284.400 2.576 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000904205235 621551244 /nfs/dbraw/zinc/55/12/44/621551244.db2.gz CHNVMWKOIUANBK-ZDUSSCGKSA-N -1 3 292.379 2.603 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1csc(C)n1 ZINC000904205999 621551252 /nfs/dbraw/zinc/55/12/52/621551252.db2.gz YBDSTNQWGAYEAR-UHFFFAOYSA-N -1 3 256.371 2.792 20 30 CFEDHM CCCCN([O-])C(=O)C1([C@H]2CCCCO2)CCC1 ZINC000904216117 621551632 /nfs/dbraw/zinc/55/16/32/621551632.db2.gz YAJYVRMZEKZSMU-GFCCVEGCSA-N -1 3 255.358 2.744 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](OC)c1ccc(F)cc1 ZINC000904215816 621551749 /nfs/dbraw/zinc/55/17/49/621551749.db2.gz LSAZBSHZJMWNAY-LBPRGKRZSA-N -1 3 255.289 2.531 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000904211940 621553954 /nfs/dbraw/zinc/55/39/54/621553954.db2.gz HCLOXLXPDPZTQV-SECBINFHSA-N -1 3 284.287 2.855 20 30 CFEDHM CCCCN([O-])C(=O)CCc1cccc(OC)c1F ZINC000904213485 621554702 /nfs/dbraw/zinc/55/47/02/621554702.db2.gz QURVGIYDJRXGDH-UHFFFAOYSA-N -1 3 269.316 2.785 20 30 CFEDHM C=C1CC(c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)C1 ZINC000906129179 621930401 /nfs/dbraw/zinc/93/04/01/621930401.db2.gz PBPIMQQRCXGWTR-UHFFFAOYSA-N -1 3 270.292 2.543 20 30 CFEDHM N#Cc1cc([O-])ccc1-c1cnc([C@H]2CCCCN2)nc1 ZINC000906177558 621945252 /nfs/dbraw/zinc/94/52/52/621945252.db2.gz FTJDMWIVABFCFB-OAHLLOKOSA-N -1 3 280.331 2.535 20 30 CFEDHM COc1cccc([O-])c1C(=O)NCC1(C#N)CCCCC1 ZINC000912526610 622740828 /nfs/dbraw/zinc/74/08/28/622740828.db2.gz NRCHUMUKZCWXCV-UHFFFAOYSA-N -1 3 288.347 2.605 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccccc1SCC ZINC000912627655 622753129 /nfs/dbraw/zinc/75/31/29/622753129.db2.gz ILOAECLCPWQUOY-UHFFFAOYSA-N -1 3 265.378 2.965 20 30 CFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000820798031 622759470 /nfs/dbraw/zinc/75/94/70/622759470.db2.gz QXMCDBZQGULIEZ-UHFFFAOYSA-N -1 3 292.187 2.684 20 30 CFEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCCCCC1 ZINC000823742865 623389307 /nfs/dbraw/zinc/38/93/07/623389307.db2.gz MMUHOMXYEQXUKM-UHFFFAOYSA-N -1 3 284.367 2.667 20 30 CFEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCCCCC1 ZINC000823742865 623389317 /nfs/dbraw/zinc/38/93/17/623389317.db2.gz MMUHOMXYEQXUKM-UHFFFAOYSA-N -1 3 284.367 2.667 20 30 CFEDHM C=CC[C@@H](C)[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823888791 623414563 /nfs/dbraw/zinc/41/45/63/623414563.db2.gz WUMORTPUYIPMNL-MNOVXSKESA-N -1 3 257.341 2.879 20 30 CFEDHM C=CC[C@@H](C)[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823888791 623414566 /nfs/dbraw/zinc/41/45/66/623414566.db2.gz WUMORTPUYIPMNL-MNOVXSKESA-N -1 3 257.341 2.879 20 30 CFEDHM C=CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000823894271 623415596 /nfs/dbraw/zinc/41/55/96/623415596.db2.gz LYAIZFOKECETPN-UHFFFAOYSA-N -1 3 286.335 2.575 20 30 CFEDHM C=CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000823894271 623415598 /nfs/dbraw/zinc/41/55/98/623415598.db2.gz LYAIZFOKECETPN-UHFFFAOYSA-N -1 3 286.335 2.575 20 30 CFEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)CC(C)C ZINC000825416227 623689154 /nfs/dbraw/zinc/68/91/54/623689154.db2.gz AFDFZOJWKTVAIN-NSHDSACASA-N -1 3 296.317 2.841 20 30 CFEDHM Cc1cc([O-])c(CN2CC[C@](F)(C#N)C2)cc1Cl ZINC000825652508 623731124 /nfs/dbraw/zinc/73/11/24/623731124.db2.gz SXIOKYJWVHOHOM-ZDUSSCGKSA-N -1 3 268.719 2.792 20 30 CFEDHM N#CCCCCSc1ccccc1-c1nnn[n-]1 ZINC000826381420 623802602 /nfs/dbraw/zinc/80/26/02/623802602.db2.gz LCDLFNKIKVQCHH-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM N#CCCCCSc1ccccc1-c1nn[n-]n1 ZINC000826381420 623802614 /nfs/dbraw/zinc/80/26/14/623802614.db2.gz LCDLFNKIKVQCHH-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM Cc1cc(=O)[n-]c(CSc2ccccc2C#N)n1 ZINC000761866362 623840546 /nfs/dbraw/zinc/84/05/46/623840546.db2.gz RZVYGQRAWRIUCD-UHFFFAOYSA-N -1 3 257.318 2.655 20 30 CFEDHM [O-]c1ccc2ccccc2c1C=NOC[C@H]1CCOC1 ZINC000788031671 623950942 /nfs/dbraw/zinc/95/09/42/623950942.db2.gz XJBUQGXTLQGJSA-LBPRGKRZSA-N -1 3 271.316 2.932 20 30 CFEDHM C[C@@H]1CC(=NOC[C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000788035620 623981802 /nfs/dbraw/zinc/98/18/02/623981802.db2.gz AAOCFKHSNYUQOC-NXEZZACHSA-N -1 3 279.311 2.796 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccnc1 ZINC000916908219 624292952 /nfs/dbraw/zinc/29/29/52/624292952.db2.gz ZZJKBZVQOYHMMI-NSHDSACASA-N -1 3 299.717 2.696 20 30 CFEDHM C=CCC1(C(=O)[N-]OC[C@H]2CCOC2)CCCCC1 ZINC000830180834 624659553 /nfs/dbraw/zinc/65/95/53/624659553.db2.gz CXZODOXHMRKWQI-ZDUSSCGKSA-N -1 3 267.369 2.597 20 30 CFEDHM CC(C)C#CC(=O)Nc1cc(Br)ccc1[O-] ZINC000831256021 624977943 /nfs/dbraw/zinc/97/79/43/624977943.db2.gz GFUWFNIRHRIPOU-UHFFFAOYSA-N -1 3 282.137 2.753 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ncccc1F ZINC000834748959 625829207 /nfs/dbraw/zinc/82/92/07/625829207.db2.gz FFNIEDHLXZSLGF-MRVPVSSYSA-N -1 3 258.243 2.609 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn(C)c1 ZINC000834803276 625867551 /nfs/dbraw/zinc/86/75/51/625867551.db2.gz OVMYJBHWEIZVOY-LLIKBPFYSA-N -1 3 272.279 2.648 20 30 CFEDHM Fc1[n-]c(F)c(F)c(=NNC=C2CC2(F)F)c1F ZINC000834926742 625925019 /nfs/dbraw/zinc/92/50/19/625925019.db2.gz CKBVXPRWLAOXCV-VKHMYHEASA-N -1 3 269.148 2.691 20 30 CFEDHM COc1ccc(C=NOC(C)C)c(Br)c1[O-] ZINC000835001608 625951005 /nfs/dbraw/zinc/95/10/05/625951005.db2.gz HWNYQQACYBCYRK-UHFFFAOYSA-N -1 3 288.141 2.922 20 30 CFEDHM C#CCOc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000187189991 626479235 /nfs/dbraw/zinc/47/92/35/626479235.db2.gz WRRSWBCOEGUBHT-UHFFFAOYSA-N -1 3 297.310 2.671 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2(C)CCCCC2)c1[O-] ZINC000757530274 626554574 /nfs/dbraw/zinc/55/45/74/626554574.db2.gz JKWCCIUYFOSTLX-MFOYZWKCSA-N -1 3 276.380 2.977 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cncc(F)c2)nc(C)n1 ZINC000759204860 626636464 /nfs/dbraw/zinc/63/64/64/626636464.db2.gz NBBSWWYLNOKPJK-NQHOJNORSA-N -1 3 296.305 2.517 20 30 CFEDHM CCOC(=O)C[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000760213668 626720255 /nfs/dbraw/zinc/72/02/55/626720255.db2.gz SKXWRHJHGKHYIH-AVPSXBMNSA-N -1 3 269.728 2.806 20 30 CFEDHM C=CCCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC000805219329 626805226 /nfs/dbraw/zinc/80/52/26/626805226.db2.gz GITWNZMILGMHHK-UHFFFAOYSA-N -1 3 272.352 2.824 20 30 CFEDHM Cc1cc(=O)[n-]c(CSc2ccc(C#N)cc2F)n1 ZINC000761866007 626866899 /nfs/dbraw/zinc/86/68/99/626866899.db2.gz PZTQSVWQKQFEFE-UHFFFAOYSA-N -1 3 275.308 2.794 20 30 CFEDHM CCC(N=Nc1ncccn1)c1ccc([O-])c(F)c1 ZINC000764681734 627083670 /nfs/dbraw/zinc/08/36/70/627083670.db2.gz FIBBQOBKKWSYGQ-UHFFFAOYSA-N -1 3 260.272 2.548 20 30 CFEDHM CCC(N=Nc1cnccn1)c1ccc([O-])c(F)c1 ZINC000764682834 627083702 /nfs/dbraw/zinc/08/37/02/627083702.db2.gz IJMYZZSLXAHENP-UHFFFAOYSA-N -1 3 260.272 2.548 20 30 CFEDHM CCC(N=Nc1ccc(C)nn1)c1ccc([O-])c(F)c1 ZINC000764686961 627084126 /nfs/dbraw/zinc/08/41/26/627084126.db2.gz OAWLEFWNHGGOBE-UHFFFAOYSA-N -1 3 274.299 2.856 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccn(C)n1 ZINC000773148946 627788786 /nfs/dbraw/zinc/78/87/86/627788786.db2.gz FVQISNXNGMKBLG-VKHJRQFRSA-N -1 3 272.279 2.648 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCC[C@H]1Cc1ccccc1 ZINC000774415604 627922474 /nfs/dbraw/zinc/92/24/74/627922474.db2.gz YMJWZOOITBILJN-AWEZNQCLSA-N -1 3 268.364 2.653 20 30 CFEDHM CCOc1cc(C=NOC2CCOCC2)cc(Cl)c1[O-] ZINC000774438675 627926217 /nfs/dbraw/zinc/92/62/17/627926217.db2.gz VOQVDROVVYOVLQ-UHFFFAOYSA-N -1 3 299.754 2.974 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(F)c2)c1 ZINC000776274285 628124834 /nfs/dbraw/zinc/12/48/34/628124834.db2.gz MYIVKDUCWVFDDT-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM Cc1cccc(COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776275423 628125190 /nfs/dbraw/zinc/12/51/90/628125190.db2.gz RYSJHTWJRQOLSO-UHFFFAOYSA-N -1 3 267.284 2.929 20 30 CFEDHM [O-]c1ccc(C=NNc2ccc3n[nH]cc3c2)cc1F ZINC000779816427 628410244 /nfs/dbraw/zinc/41/02/44/628410244.db2.gz KPUDFVWZYVFMJN-UHFFFAOYSA-N -1 3 270.267 2.854 20 30 CFEDHM N#Cc1ccc(C/N=C/c2cc(Cl)ccc2[O-])nc1 ZINC000780149970 628435622 /nfs/dbraw/zinc/43/56/22/628435622.db2.gz RKBNHGDBVAWPMO-CAOOACKPSA-N -1 3 271.707 2.931 20 30 CFEDHM COc1ccc(NN=Cc2c([O-])cccc2Cl)nc1 ZINC000780271260 628449214 /nfs/dbraw/zinc/44/92/14/628449214.db2.gz RNQRCPCHLPXRCU-UHFFFAOYSA-N -1 3 277.711 2.895 20 30 CFEDHM CC(N=Nc1ncncc1Cl)c1sccc1[O-] ZINC000780279710 628450005 /nfs/dbraw/zinc/45/00/05/628450005.db2.gz OFKBHOPLYHRUOK-UHFFFAOYSA-N -1 3 268.729 2.733 20 30 CFEDHM C[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H]1C ZINC000781123231 628523343 /nfs/dbraw/zinc/52/33/43/628523343.db2.gz TZESRPLGTXXTMB-OLZOCXBDSA-N -1 3 294.420 2.918 20 30 CFEDHM C=CCCCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000783983905 628760069 /nfs/dbraw/zinc/76/00/69/628760069.db2.gz YLBXQJLDMYWVRM-UHFFFAOYSA-N -1 3 288.303 2.842 20 30 CFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc3cc[nH]c32)c1[O-] ZINC000786026873 628930734 /nfs/dbraw/zinc/93/07/34/628930734.db2.gz BKBYXHKHOSWTBX-GIJQJNRQSA-N -1 3 295.342 2.688 20 30 CFEDHM N#C[C@]1(F)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000786579321 628969264 /nfs/dbraw/zinc/96/92/64/628969264.db2.gz PAPYSZFMNIYJDG-GFCCVEGCSA-N -1 3 299.143 2.592 20 30 CFEDHM N#C[C@@]1(F)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000786579324 628969487 /nfs/dbraw/zinc/96/94/87/628969487.db2.gz PAPYSZFMNIYJDG-LBPRGKRZSA-N -1 3 299.143 2.592 20 30 CFEDHM CC(=NNCCc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000789096999 629126457 /nfs/dbraw/zinc/12/64/57/629126457.db2.gz JTHHLAZNILDQRD-UHFFFAOYSA-N -1 3 289.766 2.997 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)n(C)n1 ZINC000789157028 629130145 /nfs/dbraw/zinc/13/01/45/629130145.db2.gz VJECPKMPQLSOHA-HWKANZROSA-N -1 3 278.258 2.608 20 30 CFEDHM Cc1cc2n[nH]cc2cc1N=Cc1c([O-])c(C)ncc1CO ZINC000790100823 629210589 /nfs/dbraw/zinc/21/05/89/629210589.db2.gz YZYOZRHGPDNIAT-UHFFFAOYSA-N -1 3 296.330 2.523 20 30 CFEDHM CC[C@H](C)NN=Cc1cc(Br)ccc1[O-] ZINC000790188689 629217218 /nfs/dbraw/zinc/21/72/18/629217218.db2.gz HIHGWOKTAUTFDY-QMMMGPOBSA-N -1 3 271.158 2.877 20 30 CFEDHM N#C[C@@]1(F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000792476169 629427942 /nfs/dbraw/zinc/42/79/42/629427942.db2.gz OEZFKZYVNNDEJE-INIZCTEOSA-N -1 3 284.290 2.623 20 30 CFEDHM [O-]c1ccc(F)c(CN=Nc2cncc(Cl)n2)c1F ZINC000794492190 629650620 /nfs/dbraw/zinc/65/06/20/629650620.db2.gz GPBCKJMBAUXTPL-UHFFFAOYSA-N -1 3 284.653 2.560 20 30 CFEDHM [O-]c1ccc(F)c(C=NNCCc2ccccc2F)c1F ZINC000794520057 629652908 /nfs/dbraw/zinc/65/29/08/629652908.db2.gz JPRWTRPJGWZLJI-UHFFFAOYSA-N -1 3 294.276 2.976 20 30 CFEDHM [O-]c1ccc(F)c(C=NNc2ccc3n[nH]cc3c2)c1F ZINC000794529237 629655330 /nfs/dbraw/zinc/65/53/30/629655330.db2.gz AYISOLBJOFONPL-UHFFFAOYSA-N -1 3 288.257 2.993 20 30 CFEDHM [O-]c1ccc(F)c(C=NNC2CCCCC2)c1F ZINC000794536209 629656716 /nfs/dbraw/zinc/65/67/16/629656716.db2.gz UCEPHGSWPAPEJM-UHFFFAOYSA-N -1 3 254.280 2.927 20 30 CFEDHM COCCN(C)N=C(C)c1ccc2ccccc2c1[O-] ZINC000794973645 629712773 /nfs/dbraw/zinc/71/27/73/629712773.db2.gz GOBGFXMOJSXPNC-UHFFFAOYSA-N -1 3 272.348 2.848 20 30 CFEDHM Cc1c([O-])ccc2c(CN3CC[C@@](C)(C#N)C3)cc(=O)oc12 ZINC000852684695 634806126 /nfs/dbraw/zinc/80/61/26/634806126.db2.gz MOEQFCSAYVRMHY-KRWDZBQOSA-N -1 3 298.342 2.543 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C)cn1 ZINC000800793822 630404588 /nfs/dbraw/zinc/40/45/88/630404588.db2.gz WGAUVOVMONIWAI-AMAGOZFHSA-N -1 3 272.279 2.648 20 30 CFEDHM C=CCOc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000804140265 630660516 /nfs/dbraw/zinc/66/05/16/630660516.db2.gz CEZBHKLUUPNKDY-UHFFFAOYSA-N -1 3 291.244 2.768 20 30 CFEDHM C=CCO[N-]C(=O)Cc1c(C)nc2ccccc2c1C ZINC000837043611 630943325 /nfs/dbraw/zinc/94/33/25/630943325.db2.gz QNNKWDVKRIKQJI-UHFFFAOYSA-N -1 3 270.332 2.628 20 30 CFEDHM C=CCO[N-]C(=O)Cc1ccc(Br)cc1C ZINC000837045853 630944163 /nfs/dbraw/zinc/94/41/63/630944163.db2.gz BWKTXPAIHTXTEY-UHFFFAOYSA-N -1 3 284.153 2.534 20 30 CFEDHM C=CCO[N-]C(=O)CCc1cccc(Br)c1 ZINC000837044768 630944329 /nfs/dbraw/zinc/94/43/29/630944329.db2.gz SGZQYXVFJAGZBI-UHFFFAOYSA-N -1 3 284.153 2.616 20 30 CFEDHM C=CCO[N-]C(=O)CCCCC(=O)c1ccc(OC)cc1 ZINC000837048476 630945895 /nfs/dbraw/zinc/94/58/95/630945895.db2.gz PWNYJZHTZZNXBQ-UHFFFAOYSA-N -1 3 291.347 2.672 20 30 CFEDHM C=CCCCOC(=O)c1n[n-]c2c1cccc2OC ZINC000808673847 631026171 /nfs/dbraw/zinc/02/61/71/631026171.db2.gz VSCRFGPDRCLXIG-UHFFFAOYSA-N -1 3 260.293 2.695 20 30 CFEDHM C=CCCCOC(=O)c1[n-]nc2c1cccc2OC ZINC000808673847 631026176 /nfs/dbraw/zinc/02/61/76/631026176.db2.gz VSCRFGPDRCLXIG-UHFFFAOYSA-N -1 3 260.293 2.695 20 30 CFEDHM Cc1cc([O-])c(CN(C)C[C@H](C)C#N)c(Cl)c1 ZINC000840911396 631260693 /nfs/dbraw/zinc/26/06/93/631260693.db2.gz ZAEBRMJQEFUFBC-SNVBAGLBSA-N -1 3 252.745 2.946 20 30 CFEDHM CN(C)c1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811185501 631532696 /nfs/dbraw/zinc/53/26/96/631532696.db2.gz NAIUIMSFYDOUSH-UHFFFAOYSA-N -1 3 296.326 2.687 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OC/C(Cl)=C\Cl)c1 ZINC000811188148 631532749 /nfs/dbraw/zinc/53/27/49/631532749.db2.gz AJNVDGALBKCGGB-RUDMXATFSA-N -1 3 272.087 2.740 20 30 CFEDHM CC(=NNC[C@H]1CCSC1)c1ccc([O-])cc1F ZINC000811661069 631598894 /nfs/dbraw/zinc/59/88/94/631598894.db2.gz DIJFWQANWKCIJL-SNVBAGLBSA-N -1 3 268.357 2.598 20 30 CFEDHM CC(C)CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccncc1 ZINC000842524003 631652053 /nfs/dbraw/zinc/65/20/53/631652053.db2.gz GYSWESVEZJEUAA-UHFFFAOYSA-N -1 3 295.350 2.610 20 30 CFEDHM CC(=NNC12CC(C1)C2)c1cc(Cl)ccc1[O-] ZINC000842547740 631662831 /nfs/dbraw/zinc/66/28/31/631662831.db2.gz WOHJGDYXDRQRJU-UHFFFAOYSA-N -1 3 250.729 2.912 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nnc(CCCCC)s1 ZINC000844488894 632229885 /nfs/dbraw/zinc/22/98/85/632229885.db2.gz ZAJIVITZTBGSMU-SECBINFHSA-N -1 3 284.385 2.898 20 30 CFEDHM C=CCN(CCOc1ccc(/C=C/C(=O)[O-])cc1)C1CC1 ZINC000846255668 632675876 /nfs/dbraw/zinc/67/58/76/632675876.db2.gz KYXLBVPBHPEQAT-BJMVGYQFSA-N -1 3 287.359 2.814 20 30 CFEDHM NC(=O)[C@H]1CC[C@H](C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000817708216 632688224 /nfs/dbraw/zinc/68/82/24/632688224.db2.gz VQESDWIWEIRCHJ-VVNJDWCZSA-N -1 3 294.782 2.756 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1ccccc1Br ZINC000846537842 632727568 /nfs/dbraw/zinc/72/75/68/632727568.db2.gz DOMXIPOMLFNTQK-UHFFFAOYSA-N -1 3 284.153 2.616 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1ccccc1OC ZINC000846539407 632728660 /nfs/dbraw/zinc/72/86/60/632728660.db2.gz WPZVNTDAQCYRKC-GFCCVEGCSA-N -1 3 263.337 2.813 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1cccc(C)c1 ZINC000846542255 632730438 /nfs/dbraw/zinc/73/04/38/632730438.db2.gz XUZQOCXKNRKIKH-CYBMUJFWSA-N -1 3 263.337 2.776 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(C)s1 ZINC000846542544 632730654 /nfs/dbraw/zinc/73/06/54/632730654.db2.gz FEIRMYOEQWKCGE-SECBINFHSA-N -1 3 267.350 2.642 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccccc1Br ZINC000846545470 632733602 /nfs/dbraw/zinc/73/36/02/632733602.db2.gz OMLXFIDYJHUNSG-SECBINFHSA-N -1 3 284.153 2.614 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)Cc1ccccc1OC ZINC000846545451 632733665 /nfs/dbraw/zinc/73/36/65/632733665.db2.gz OJFYEULNYSZWRT-STQMWFEESA-N -1 3 277.364 2.886 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Br)cc1C ZINC000846547358 632735489 /nfs/dbraw/zinc/73/54/89/632735489.db2.gz DMFULOCPSHLVRU-JTQLQIEISA-N -1 3 298.180 2.922 20 30 CFEDHM C=CCCCCC/N=C/c1c([O-])c(C)ncc1CO ZINC000846756834 632787917 /nfs/dbraw/zinc/78/79/17/632787917.db2.gz MWVRMYNZMFVGAQ-MHWRWJLKSA-N -1 3 262.353 2.753 20 30 CFEDHM CCCCCCCC(=O)[N-]OCc1ccccn1 ZINC000818033877 632790666 /nfs/dbraw/zinc/79/06/66/632790666.db2.gz NDTTVCTULRTRHH-UHFFFAOYSA-N -1 3 250.342 2.990 20 30 CFEDHM C=CCn1cc(CN[C@H](CC)c2ccc(F)cc2[O-])nn1 ZINC000818346172 632834537 /nfs/dbraw/zinc/83/45/37/632834537.db2.gz AIOMBYWOVGSELI-CQSZACIVSA-N -1 3 290.342 2.550 20 30 CFEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CC1 ZINC000846928072 632849207 /nfs/dbraw/zinc/84/92/07/632849207.db2.gz JRLGQBHHYZDWKU-UHFFFAOYSA-N -1 3 294.301 2.738 20 30 CFEDHM CCCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135974 633208518 /nfs/dbraw/zinc/20/85/18/633208518.db2.gz KIJSVHARVDJKQF-CJNGLKHVSA-N -1 3 298.427 2.870 20 30 CFEDHM C=CCCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000848293371 633235978 /nfs/dbraw/zinc/23/59/78/633235978.db2.gz IVHQPOHXBVEYOE-UHFFFAOYSA-N -1 3 285.347 2.812 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2Cc3ccccc3[C@@H]2C)c1[O-] ZINC000849170037 633578336 /nfs/dbraw/zinc/57/83/36/633578336.db2.gz KBNUVWBBXPYVJU-GGWKHGSLSA-N -1 3 296.370 2.735 20 30 CFEDHM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854700145 635373114 /nfs/dbraw/zinc/37/31/14/635373114.db2.gz OCYYCXQBEIBIAN-CYBMUJFWSA-N -1 3 296.273 2.605 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000856030645 635706846 /nfs/dbraw/zinc/70/68/46/635706846.db2.gz KWWRVEDRUXEVMK-NSHDSACASA-N -1 3 251.301 2.943 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cccc(OC(C)C)c1 ZINC000856031597 635707005 /nfs/dbraw/zinc/70/70/05/635707005.db2.gz WNYIJWZWXYPEES-UHFFFAOYSA-N -1 3 263.337 2.640 20 30 CFEDHM C=CCCO[N-]C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000856033117 635707962 /nfs/dbraw/zinc/70/79/62/635707962.db2.gz YJBRQRITXRAUKD-INIZCTEOSA-N -1 3 259.349 2.806 20 30 CFEDHM C=CCCO[N-]C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000856035550 635710120 /nfs/dbraw/zinc/71/01/20/635710120.db2.gz CPLWSQVCHUGTJX-GFCCVEGCSA-N -1 3 294.782 2.790 20 30 CFEDHM C#CC(C)(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857710837 636014290 /nfs/dbraw/zinc/01/42/90/636014290.db2.gz JUAPXJRDHVMXNP-UHFFFAOYSA-N -1 3 271.238 2.553 20 30 CFEDHM CC[C@H](CC#N)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000188045410 650312889 /nfs/dbraw/zinc/31/28/89/650312889.db2.gz QFMYNPAUYKMJPS-SNVBAGLBSA-N -1 3 273.292 2.827 20 30 CFEDHM CC[C@H](CC#N)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000188045410 650312895 /nfs/dbraw/zinc/31/28/95/650312895.db2.gz QFMYNPAUYKMJPS-SNVBAGLBSA-N -1 3 273.292 2.827 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1cccc(C)c1Br ZINC000862132694 637278282 /nfs/dbraw/zinc/27/82/82/637278282.db2.gz JSBKYDDQJMRLSF-UHFFFAOYSA-N -1 3 298.180 2.924 20 30 CFEDHM C[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CO1 ZINC000863125119 637565743 /nfs/dbraw/zinc/56/57/43/637565743.db2.gz NMRFHCOTPANWOM-QMMMGPOBSA-N -1 3 274.349 2.869 20 30 CFEDHM COC[C@H](C)CN=Nc1nc2ccccc2[n-]c1=S ZINC000863129013 637567267 /nfs/dbraw/zinc/56/72/67/637567267.db2.gz SERMFLSAVQEJRR-SECBINFHSA-N -1 3 276.365 2.973 20 30 CFEDHM [O-]c1ccc(C=NNCC(F)(F)C(F)(F)F)c(F)c1 ZINC000863182906 637581187 /nfs/dbraw/zinc/58/11/87/637581187.db2.gz DGLQUWHGCNCXMJ-UHFFFAOYSA-N -1 3 286.175 2.652 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2ccsc2)c1[O-] ZINC000864346750 637946602 /nfs/dbraw/zinc/94/66/02/637946602.db2.gz ZVOPCJSOQUDWIC-JSVAXBDYSA-N -1 3 288.372 2.624 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CCCCC2CC2)c1[O-] ZINC000864349208 637949454 /nfs/dbraw/zinc/94/94/54/637949454.db2.gz URTHQHWJSDTVCS-SXGWCWSVSA-N -1 3 262.353 2.587 20 30 CFEDHM CCCn1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)nn1 ZINC000865219613 638226839 /nfs/dbraw/zinc/22/68/39/638226839.db2.gz ZBJCHNJWSJIOOX-ALCCZGGFSA-N -1 3 271.320 2.598 20 30 CFEDHM CCn1nc(C)c(C([O-])=C(C#N)c2ccccn2)c1Cl ZINC000076825186 650405987 /nfs/dbraw/zinc/40/59/87/650405987.db2.gz QJFDNOWWPKALDG-JTQLQIEISA-N -1 3 288.738 2.750 20 30 CFEDHM C[C@@H](NCc1ncccc1N(C)C)c1cccc(C#N)c1[O-] ZINC000866361125 638804052 /nfs/dbraw/zinc/80/40/52/638804052.db2.gz JTPWKVWHRUABKS-GFCCVEGCSA-N -1 3 296.374 2.576 20 30 CFEDHM CCc1noc(C)c1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866364552 638804937 /nfs/dbraw/zinc/80/49/37/638804937.db2.gz RJDQVVYQSDSGIA-JTQLQIEISA-N -1 3 285.347 2.974 20 30 CFEDHM C[C@@]1(CC(=O)[N-]Oc2cccc(C#N)c2)CC1(Cl)Cl ZINC000870691077 639773275 /nfs/dbraw/zinc/77/32/75/639773275.db2.gz ZDIILBLMDCBTNV-GFCCVEGCSA-N -1 3 299.157 2.942 20 30 CFEDHM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000125785706 642780865 /nfs/dbraw/zinc/78/08/65/642780865.db2.gz LLFGBYQSYIAYTN-CYBMUJFWSA-N -1 3 282.290 2.595 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCCO[C@H]1CCOC1 ZINC000129352618 645161349 /nfs/dbraw/zinc/16/13/49/645161349.db2.gz LYOUFIIPYLOBJK-WFSQQTBHSA-N -1 3 283.755 2.660 20 30 CFEDHM C=C(C)COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OC ZINC000131821440 645830289 /nfs/dbraw/zinc/83/02/89/645830289.db2.gz OTZMSHIRPXCOCU-FNORWQNLSA-N -1 3 298.342 2.904 20 30 CFEDHM C#CCC1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC000886656037 647092253 /nfs/dbraw/zinc/09/22/53/647092253.db2.gz OTLFWDUNKRUKMN-UHFFFAOYSA-N -1 3 299.374 2.516 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](C)C(C)(C)C)c1[O-] ZINC000887270828 647257641 /nfs/dbraw/zinc/25/76/41/647257641.db2.gz UXYMLMOUYOBZEY-NUEDXCKTSA-N -1 3 264.369 2.689 20 30 CFEDHM N#C[C@@]1(C(=O)NCc2c([O-])cccc2F)CC12CCCC2 ZINC000928704898 648943940 /nfs/dbraw/zinc/94/39/40/648943940.db2.gz ATBKDJWLCQQNRW-MRXNPFEDSA-N -1 3 288.322 2.622 20 30 CFEDHM Cc1nc2c(c(=O)[n-]1)CN(CCC1(C#N)CCCCC1)C2 ZINC000931314198 649406718 /nfs/dbraw/zinc/40/67/18/649406718.db2.gz YNBSDXHRSNNHQF-UHFFFAOYSA-N -1 3 286.379 2.670 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C#N)c2ccccc2F)[n-]1 ZINC001225468352 775467233 /nfs/dbraw/zinc/46/72/33/775467233.db2.gz PRSXQKSLKXQOPU-CQSZACIVSA-N -1 3 283.262 2.750 20 30 CFEDHM Cc1ccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cn1 ZINC001225469021 775468251 /nfs/dbraw/zinc/46/82/51/775468251.db2.gz GFHNEMYCIKCVHL-NSHDSACASA-N -1 3 269.304 2.811 20 30 CFEDHM COc1ccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cn1 ZINC001225469834 775468698 /nfs/dbraw/zinc/46/86/98/775468698.db2.gz OSUFTGAPOHDIHD-JTQLQIEISA-N -1 3 285.303 2.511 20 30 CFEDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1C#N ZINC001225663322 775547067 /nfs/dbraw/zinc/54/70/67/775547067.db2.gz CZAXQSVTCHFOOV-SECBINFHSA-N -1 3 285.259 2.707 20 30 CFEDHM N#CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225667639 775548854 /nfs/dbraw/zinc/54/88/54/775548854.db2.gz UYGAUYSEAYYHEJ-LBPRGKRZSA-N -1 3 285.259 2.729 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119296 775707672 /nfs/dbraw/zinc/70/76/72/775707672.db2.gz MURAGBKSGGQFJP-SKDRFNHKSA-N -1 3 260.362 2.823 20 30 CFEDHM CC[C@@H](C)C[C@@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226255455 775757184 /nfs/dbraw/zinc/75/71/84/775757184.db2.gz JJSLLESNSRLWPC-KYMBZKNXSA-N -1 3 251.330 2.878 20 30 CFEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nccc(/C=N/[O-])n2)O1 ZINC001226256573 775757249 /nfs/dbraw/zinc/75/72/49/775757249.db2.gz UFHFDKWUELSCTM-MTMUGNLHSA-N -1 3 291.351 2.566 20 30 CFEDHM C=C[C@]1(C)CC[C@H](Oc2nccc(/C=N/[O-])n2)C(C)(C)O1 ZINC001226255656 775757700 /nfs/dbraw/zinc/75/77/00/775757700.db2.gz LDGKBVZXCMNTQW-MTMUGNLHSA-N -1 3 291.351 2.566 20 30 CFEDHM CCC(CC)[C@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226255378 775758033 /nfs/dbraw/zinc/75/80/33/775758033.db2.gz IMUCPCHQSVJLNX-DGGAMASNSA-N -1 3 251.330 2.878 20 30 CFEDHM CCc1nc(O[C@@H](C#Cc2ccccc2)CC)cc(=O)[n-]1 ZINC001226474228 775838391 /nfs/dbraw/zinc/83/83/91/775838391.db2.gz CZVLXMSPKMPKDY-CQSZACIVSA-N -1 3 282.343 2.954 20 30 CFEDHM Cc1cc(O[C@@H](C#N)c2ccccc2F)[n-]c(=S)n1 ZINC001226801787 775970291 /nfs/dbraw/zinc/97/02/91/775970291.db2.gz BMNGGLAJSVWXDQ-NSHDSACASA-N -1 3 275.308 2.857 20 30 CFEDHM C=CC[C@@H](Oc1[n-]c(=O)ncc1OC)c1ccccc1 ZINC001226828147 775982883 /nfs/dbraw/zinc/98/28/83/775982883.db2.gz OIVILVJMCLMUCT-GFCCVEGCSA-N -1 3 272.304 2.887 20 30 CFEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227346175 776181863 /nfs/dbraw/zinc/18/18/63/776181863.db2.gz SFEVLKWCJWNXRY-GFCCVEGCSA-N -1 3 289.331 2.929 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@H]2Cc3ccccc3O2)c1 ZINC001227346164 776182022 /nfs/dbraw/zinc/18/20/22/776182022.db2.gz SAPGEYLYZRUVFD-CYBMUJFWSA-N -1 3 267.284 2.646 20 30 CFEDHM C#C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C(C)C ZINC001227583937 776234927 /nfs/dbraw/zinc/23/49/27/776234927.db2.gz OPQOUEYQNDKQCM-SECBINFHSA-N -1 3 259.227 2.843 20 30 CFEDHM C=CC[C@@H](CCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612949 776244440 /nfs/dbraw/zinc/24/44/40/776244440.db2.gz MVVAPYNOOGGUCG-QMMMGPOBSA-N -1 3 264.354 2.765 20 30 CFEDHM C=CC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227696524 776261284 /nfs/dbraw/zinc/26/12/84/776261284.db2.gz YGZBWYAIKLWWEH-JTQLQIEISA-N -1 3 276.296 2.846 20 30 CFEDHM CC#C[C@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742954 776275240 /nfs/dbraw/zinc/27/52/40/776275240.db2.gz GBZFBNLHVWAVEC-JTQLQIEISA-N -1 3 259.265 2.652 20 30 CFEDHM CC#C[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742954 776275247 /nfs/dbraw/zinc/27/52/47/776275247.db2.gz GBZFBNLHVWAVEC-JTQLQIEISA-N -1 3 259.265 2.652 20 30 CFEDHM N#C[C@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741685 776276056 /nfs/dbraw/zinc/27/60/56/776276056.db2.gz QQPRBCBRBGPVAB-WCBMZHEXSA-N -1 3 272.264 2.542 20 30 CFEDHM N#C[C@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741685 776276062 /nfs/dbraw/zinc/27/60/62/776276062.db2.gz QQPRBCBRBGPVAB-WCBMZHEXSA-N -1 3 272.264 2.542 20 30 CFEDHM C#C[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937492 776335346 /nfs/dbraw/zinc/33/53/46/776335346.db2.gz LMRSQOZCTXQLQB-LLVKDONJSA-N -1 3 282.295 2.729 20 30 CFEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)[C@H](C)S ZINC001228622831 776544156 /nfs/dbraw/zinc/54/41/56/776544156.db2.gz MJOQSXBYUOOXOZ-BDAKNGLRSA-N -1 3 280.345 2.893 20 30 CFEDHM C#C[C@H](CCCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228694948 776571123 /nfs/dbraw/zinc/57/11/23/776571123.db2.gz HCSBDSMRNZJHJX-CYBMUJFWSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@H](CCCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228694948 776571128 /nfs/dbraw/zinc/57/11/28/776571128.db2.gz HCSBDSMRNZJHJX-CYBMUJFWSA-N -1 3 270.336 2.828 20 30 CFEDHM N#C[C@H](Oc1nnc(-c2ccncc2)[n-]1)c1ccccc1F ZINC001228700621 776576619 /nfs/dbraw/zinc/57/66/19/776576619.db2.gz URFQTWKHCSFWTE-ZDUSSCGKSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1nc(-c2ccncc2)n[n-]1)c1ccccc1F ZINC001228700621 776576626 /nfs/dbraw/zinc/57/66/26/776576626.db2.gz URFQTWKHCSFWTE-ZDUSSCGKSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1F ZINC001228700621 776576627 /nfs/dbraw/zinc/57/66/27/776576627.db2.gz URFQTWKHCSFWTE-ZDUSSCGKSA-N -1 3 295.277 2.649 20 30 CFEDHM C=C[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229098605 776716712 /nfs/dbraw/zinc/71/67/12/776716712.db2.gz GDTGUIYKHFHIFT-ZCFIWIBFSA-N -1 3 259.099 2.814 20 30 CFEDHM Cc1nc(O[C@@H](C)CC(C)(C)S)c(C)c(=O)[n-]1 ZINC001229691133 776873257 /nfs/dbraw/zinc/87/32/57/776873257.db2.gz RZDKQFCJMUIDAQ-ZETCQYMHSA-N -1 3 256.371 2.665 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CC[C@H](O)CC1 ZINC000255342512 776953040 /nfs/dbraw/zinc/95/30/40/776953040.db2.gz DEQMKHYXLLCEDB-JSOQGODVSA-N -1 3 253.729 2.768 20 30 CFEDHM C=CC[C@H](CCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074034 777132928 /nfs/dbraw/zinc/13/29/28/777132928.db2.gz QEOFWULLOWMIQZ-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118521 777146291 /nfs/dbraw/zinc/14/62/91/777146291.db2.gz QIQPHZNKXWXGDF-LLVKDONJSA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118521 777146293 /nfs/dbraw/zinc/14/62/93/777146293.db2.gz QIQPHZNKXWXGDF-LLVKDONJSA-N -1 3 286.411 2.515 20 30 CFEDHM N#C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231118783 777147079 /nfs/dbraw/zinc/14/70/79/777147079.db2.gz VQULJCOTAQZPAS-AWEZNQCLSA-N -1 3 277.287 2.510 20 30 CFEDHM N#C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231118783 777147085 /nfs/dbraw/zinc/14/70/85/777147085.db2.gz VQULJCOTAQZPAS-AWEZNQCLSA-N -1 3 277.287 2.510 20 30 CFEDHM C=CCC[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231123077 777148922 /nfs/dbraw/zinc/14/89/22/777148922.db2.gz YDRZXVPXEROTMG-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCC[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231123077 777148924 /nfs/dbraw/zinc/14/89/24/777148924.db2.gz YDRZXVPXEROTMG-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM Cc1ccc([O-])c(CN(CCC#N)C2CCCC2)n1 ZINC001231672128 777304993 /nfs/dbraw/zinc/30/49/93/777304993.db2.gz DUQOAHAKXNHIHL-UHFFFAOYSA-N -1 3 259.353 2.754 20 30 CFEDHM Cc1ccc(CN(C)Cc2cc(C#N)ccc2[O-])cn1 ZINC001232678371 777638652 /nfs/dbraw/zinc/63/86/52/777638652.db2.gz WVWYZAMWOASXQF-UHFFFAOYSA-N -1 3 267.332 2.599 20 30 CFEDHM CN(Cc1cccc2c1OCO2)Cc1cc(C#N)ccc1[O-] ZINC001232681208 777640909 /nfs/dbraw/zinc/64/09/09/777640909.db2.gz MPXBMDUSOGXDDW-UHFFFAOYSA-N -1 3 296.326 2.625 20 30 CFEDHM N#Cc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001233383416 777927263 /nfs/dbraw/zinc/92/72/63/777927263.db2.gz HJKNPOJVLDXKIJ-CABCVRRESA-N -1 3 284.359 2.597 20 30 CFEDHM CCCN(CCC#N)Cc1c(F)ccc([O-])c1F ZINC001233395703 777934789 /nfs/dbraw/zinc/93/47/89/777934789.db2.gz KDHPZBBFXUWLKY-UHFFFAOYSA-N -1 3 254.280 2.796 20 30 CFEDHM COc1cc(CO)ccc1-c1cc(/C=N/[O-])ccc1F ZINC001204812673 778134672 /nfs/dbraw/zinc/13/46/72/778134672.db2.gz ZSJWAPHWZOJZLK-CAOOACKPSA-N -1 3 275.279 2.802 20 30 CFEDHM N#Cc1cc([O-])cc(OC2Cc3ccccc3C2)c1 ZINC001234142892 778175050 /nfs/dbraw/zinc/17/50/50/778175050.db2.gz YDKWUUGJCHGSMG-UHFFFAOYSA-N -1 3 251.285 2.810 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(OC3CCCC3)c12 ZINC001234510455 778239615 /nfs/dbraw/zinc/23/96/15/778239615.db2.gz ASKICHZUGWMSEL-UHFFFAOYSA-N -1 3 255.277 2.528 20 30 CFEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C1CCC1 ZINC001234511727 778240757 /nfs/dbraw/zinc/24/07/57/778240757.db2.gz UHMHLOXJOMXEPR-VIFPVBQESA-N -1 3 269.304 2.774 20 30 CFEDHM C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234510645 778241098 /nfs/dbraw/zinc/24/10/98/778241098.db2.gz CZDTXLVVCJAVRB-KOLCDFICSA-N -1 3 269.304 2.774 20 30 CFEDHM COC1=CC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234512399 778241231 /nfs/dbraw/zinc/24/12/31/778241231.db2.gz CSWWPDZSKAZZTD-GFCCVEGCSA-N -1 3 297.314 2.669 20 30 CFEDHM C[C@@H](Oc1cc(O)cc([O-])c1Br)[C@H](C)S ZINC001229096848 778250674 /nfs/dbraw/zinc/25/06/74/778250674.db2.gz KPUIFYWSUMHIPL-RITPCOANSA-N -1 3 293.182 2.946 20 30 CFEDHM N#Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001236524974 778859922 /nfs/dbraw/zinc/85/99/22/778859922.db2.gz FGJTVWRPGVVVNA-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccc(-c2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001236524974 778859927 /nfs/dbraw/zinc/85/99/27/778859927.db2.gz FGJTVWRPGVVVNA-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#C[C@@H]1CCCN1Cc1ccc(Br)c([O-])c1 ZINC001236692457 778912583 /nfs/dbraw/zinc/91/25/83/778912583.db2.gz PRCQKJPGRYVZEJ-JTQLQIEISA-N -1 3 281.153 2.643 20 30 CFEDHM CC[C@H](C#CC(=O)OC)Oc1c(Cl)ccc([O-])c1F ZINC001234262737 779185424 /nfs/dbraw/zinc/18/54/24/779185424.db2.gz FTNTYMJYFLAZPQ-MRVPVSSYSA-N -1 3 286.686 2.519 20 30 CFEDHM Cc1cc(C#N)nc([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168476054 779255348 /nfs/dbraw/zinc/25/53/48/779255348.db2.gz BESGGYSUIIPKLZ-LLVKDONJSA-N -1 3 293.252 2.767 20 30 CFEDHM Cc1nc(Nc2ccc(C3(C#N)CC3)cc2)cc(=O)[n-]1 ZINC001212247835 779519348 /nfs/dbraw/zinc/51/93/48/779519348.db2.gz UNDOPIVVDUCKMS-UHFFFAOYSA-N -1 3 266.304 2.789 20 30 CFEDHM [O-]/N=C/c1cccc(-c2ccc3c(c2)OCCO3)c1 ZINC001239604428 779655211 /nfs/dbraw/zinc/65/52/11/779655211.db2.gz UPYAJWXGGGLCIC-MHWRWJLKSA-N -1 3 255.273 2.933 20 30 CFEDHM CC(C)(O)c1cncc(-c2cccc(/C=N/[O-])c2)c1 ZINC001240667960 780341191 /nfs/dbraw/zinc/34/11/91/780341191.db2.gz KYLQVAKZYWPWTB-CAOOACKPSA-N -1 3 256.305 2.784 20 30 CFEDHM N#Cc1cc(O)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212489186 780408428 /nfs/dbraw/zinc/40/84/28/780408428.db2.gz HDIKMYQZPOCLNW-UHFFFAOYSA-N -1 3 262.215 2.991 20 30 CFEDHM C=CCNC(=O)c1cccnc1-c1cc([O-])cc(F)c1 ZINC001241261643 780741434 /nfs/dbraw/zinc/74/14/34/780741434.db2.gz FCAJUFBLOJKSNA-UHFFFAOYSA-N -1 3 272.279 2.509 20 30 CFEDHM C[S@@](=O)c1ccccc1-c1cccc(/C=N/[O-])c1 ZINC001241340970 780795701 /nfs/dbraw/zinc/79/57/01/780795701.db2.gz OYMKTPOZOFMPOM-SPQRHKFCSA-N -1 3 259.330 2.899 20 30 CFEDHM C[S@](=O)c1ccccc1-c1cccc(/C=N/[O-])c1 ZINC001241340969 780795766 /nfs/dbraw/zinc/79/57/66/780795766.db2.gz OYMKTPOZOFMPOM-KAPURRDVSA-N -1 3 259.330 2.899 20 30 CFEDHM [O-]/N=C/c1ccc(F)c(-c2cnc3n[nH]cc3c2)c1 ZINC001241426596 780873189 /nfs/dbraw/zinc/87/31/89/780873189.db2.gz IMUHXPLXNWTCDE-YAXRCOADSA-N -1 3 256.240 2.572 20 30 CFEDHM COc1ccc(CC#N)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443305 780892380 /nfs/dbraw/zinc/89/23/80/780892380.db2.gz FTYYLBMGQJXSCK-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM COc1ccc(CC#N)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443305 780892387 /nfs/dbraw/zinc/89/23/87/780892387.db2.gz FTYYLBMGQJXSCK-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM N#CCc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241443560 780892853 /nfs/dbraw/zinc/89/28/53/780892853.db2.gz GHWLITNWFPFUJD-UHFFFAOYSA-N -1 3 261.288 2.600 20 30 CFEDHM N#CCc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241443560 780892860 /nfs/dbraw/zinc/89/28/60/780892860.db2.gz GHWLITNWFPFUJD-UHFFFAOYSA-N -1 3 261.288 2.600 20 30 CFEDHM COc1c(C#N)c(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446373 780900516 /nfs/dbraw/zinc/90/05/16/780900516.db2.gz DFUIYBCLOJCVCG-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1c(C#N)c(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446373 780900518 /nfs/dbraw/zinc/90/05/18/780900518.db2.gz DFUIYBCLOJCVCG-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(OC)n1 ZINC001241578928 780995042 /nfs/dbraw/zinc/99/50/42/780995042.db2.gz MRQCQYVGRWNITM-JXAWBTAJSA-N -1 3 284.315 2.890 20 30 CFEDHM N#Cc1cc(F)cc(-c2noc(-c3ccc([O-])cn3)n2)c1 ZINC001212558154 781055909 /nfs/dbraw/zinc/05/59/09/781055909.db2.gz UMJIMNRHIXEAAA-UHFFFAOYSA-N -1 3 282.234 2.515 20 30 CFEDHM Cc1cc(-c2noc(-c3ccc([O-])cn3)n2)ccc1C#N ZINC001212557982 781056045 /nfs/dbraw/zinc/05/60/45/781056045.db2.gz LLQHTAWMZKYAHG-UHFFFAOYSA-N -1 3 278.271 2.684 20 30 CFEDHM COc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1C#N ZINC001242299505 781380667 /nfs/dbraw/zinc/38/06/67/781380667.db2.gz PXAGMUCHEQTFSK-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1C#N ZINC001242299505 781380672 /nfs/dbraw/zinc/38/06/72/781380672.db2.gz PXAGMUCHEQTFSK-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1C#N ZINC001242301313 781381688 /nfs/dbraw/zinc/38/16/88/781381688.db2.gz HWGIBOUBLKUINO-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1C#N ZINC001242301313 781381699 /nfs/dbraw/zinc/38/16/99/781381699.db2.gz HWGIBOUBLKUINO-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM N#Cc1ncccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242308258 781385146 /nfs/dbraw/zinc/38/51/46/781385146.db2.gz ASCQSRVGWHXCGW-UHFFFAOYSA-N -1 3 282.250 2.718 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccccc2-c2nnn[n-]2)C1 ZINC001242317211 781394742 /nfs/dbraw/zinc/39/47/42/781394742.db2.gz WNQMWEZVOHELDZ-UHFFFAOYSA-N -1 3 268.320 2.639 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccccc2-c2nn[n-]n2)C1 ZINC001242317211 781394751 /nfs/dbraw/zinc/39/47/51/781394751.db2.gz WNQMWEZVOHELDZ-UHFFFAOYSA-N -1 3 268.320 2.639 20 30 CFEDHM COc1ccc(-c2nnn[n-]2)cc1-c1cc(C)cc(C#N)c1 ZINC001242479519 781532836 /nfs/dbraw/zinc/53/28/36/781532836.db2.gz WGNOONVYJIWBBF-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM COc1ccc(-c2nn[n-]n2)cc1-c1cc(C)cc(C#N)c1 ZINC001242479519 781532841 /nfs/dbraw/zinc/53/28/41/781532841.db2.gz WGNOONVYJIWBBF-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM N#Cc1cc(-c2ccc(-n3ccnc3)nc2)ccc1[O-] ZINC001242565629 781604942 /nfs/dbraw/zinc/60/49/42/781604942.db2.gz NUMSIWYQHBXQED-UHFFFAOYSA-N -1 3 262.272 2.512 20 30 CFEDHM N#Cc1cc(-c2ccc([C@@H]3CCCNC3=O)cc2)ccc1[O-] ZINC001242566075 781605096 /nfs/dbraw/zinc/60/50/96/781605096.db2.gz HXOFXZPGSWOOBQ-INIZCTEOSA-N -1 3 292.338 2.924 20 30 CFEDHM Cc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)c(C#N)c1 ZINC001242593262 781625044 /nfs/dbraw/zinc/62/50/44/781625044.db2.gz LIUJMECBJDKTES-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM Cc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)c(C#N)c1 ZINC001242593262 781625047 /nfs/dbraw/zinc/62/50/47/781625047.db2.gz LIUJMECBJDKTES-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCCCCC#N)nc2)n1 ZINC000301214655 529564549 /nfs/dbraw/zinc/56/45/49/529564549.db2.gz YTJCPSFVAKRBSK-UHFFFAOYSA-N -1 3 297.362 2.912 20 30 CFEDHM C[C@@H](C#N)N(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC000595709859 349713573 /nfs/dbraw/zinc/71/35/73/349713573.db2.gz KKFNXCGDDCWLQW-LBPRGKRZSA-N -1 3 294.358 2.726 20 30 CFEDHM C=CCCSCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000595724938 349717517 /nfs/dbraw/zinc/71/75/17/349717517.db2.gz BRVZVDHJNZJZQT-UHFFFAOYSA-N -1 3 298.383 2.640 20 30 CFEDHM C[C@]1(C#N)CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000595841896 349752719 /nfs/dbraw/zinc/75/27/19/349752719.db2.gz PGAXYWCHPRSESC-QGZVFWFLSA-N -1 3 294.358 2.585 20 30 CFEDHM C=CCC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596240657 349837107 /nfs/dbraw/zinc/83/71/07/349837107.db2.gz ZOJGFLZDNGSFIS-UHFFFAOYSA-N -1 3 251.286 2.710 20 30 CFEDHM N#Cc1[n-]c(=N[C@@H]2CCCN3CCCC[C@H]23)sc1Cl ZINC000596296559 349855663 /nfs/dbraw/zinc/85/56/63/349855663.db2.gz LOLYJSHFMCPOKU-MWLCHTKSSA-N -1 3 296.827 2.519 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCC2=CCCCC2)c1[O-] ZINC000005110959 346210751 /nfs/dbraw/zinc/21/07/51/346210751.db2.gz JRBHRHYDYCTMSU-LICLKQGHSA-N -1 3 274.364 2.897 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)cc2)nc(C)n1 ZINC000041574354 346353441 /nfs/dbraw/zinc/35/34/41/346353441.db2.gz IJWFKTSVUNZVIL-ZDUSSCGKSA-N -1 3 269.279 2.723 20 30 CFEDHM Cc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1C#N ZINC000596656278 349970091 /nfs/dbraw/zinc/97/00/91/349970091.db2.gz IWMINJBSDCFZHK-UHFFFAOYSA-N -1 3 286.375 2.944 20 30 CFEDHM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(C#N)cc1F ZINC000596657159 349970135 /nfs/dbraw/zinc/97/01/35/349970135.db2.gz RNLVYSMELGKLAK-UHFFFAOYSA-N -1 3 278.327 2.630 20 30 CFEDHM N#Cc1csc(CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000596651567 349968344 /nfs/dbraw/zinc/96/83/44/349968344.db2.gz DJMGTPLWXTVWGS-UHFFFAOYSA-N -1 3 278.377 2.697 20 30 CFEDHM CCOc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000054808823 346577350 /nfs/dbraw/zinc/57/73/50/346577350.db2.gz GXUOCJRFPKKIME-HNNXBMFYSA-N -1 3 295.342 2.982 20 30 CFEDHM CCc1ncc(C(=O)[N-]c2sccc2C#N)s1 ZINC000065048959 346728612 /nfs/dbraw/zinc/72/86/12/346728612.db2.gz SWWYLKLFXADWEP-UHFFFAOYSA-N -1 3 263.347 2.891 20 30 CFEDHM N#Cc1csc(C(=O)[N-]c2sccc2C#N)c1 ZINC000084060315 347456452 /nfs/dbraw/zinc/45/64/52/347456452.db2.gz MERVKIMQLWUILX-UHFFFAOYSA-N -1 3 259.315 2.805 20 30 CFEDHM CCc1cccc(C(=O)NCc2cccc(C#N)c2)c1[O-] ZINC000081959381 347440700 /nfs/dbraw/zinc/44/07/00/347440700.db2.gz HQWRVWRJIQBSNZ-UHFFFAOYSA-N -1 3 280.327 2.756 20 30 CFEDHM C=CCN(CCC#N)Cc1cc(Cl)cc(OC)c1[O-] ZINC000292737918 348358836 /nfs/dbraw/zinc/35/88/36/348358836.db2.gz HAWVGIGGFQYMAZ-UHFFFAOYSA-N -1 3 280.755 2.956 20 30 CFEDHM N#CC1(CC(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000590317804 348893235 /nfs/dbraw/zinc/89/32/35/348893235.db2.gz JYPXWXWGHAGWEO-UHFFFAOYSA-N -1 3 250.685 2.678 20 30 CFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000590739711 348940103 /nfs/dbraw/zinc/94/01/03/348940103.db2.gz CWSGRTKQUWVULP-AWEZNQCLSA-N -1 3 286.441 2.814 20 30 CFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592381848 349113816 /nfs/dbraw/zinc/11/38/16/349113816.db2.gz HTQKRPABSMFQFB-NSHDSACASA-N -1 3 294.401 2.790 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000593528679 349291010 /nfs/dbraw/zinc/29/10/10/349291010.db2.gz WUOPHLCRARKZEL-UHFFFAOYSA-N -1 3 298.433 2.868 20 30 CFEDHM CC[C@@H](C#N)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000593560319 349292965 /nfs/dbraw/zinc/29/29/65/349292965.db2.gz DEPBLWWNGZQJAH-QMMMGPOBSA-N -1 3 252.701 2.842 20 30 CFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000593639551 349302964 /nfs/dbraw/zinc/30/29/64/349302964.db2.gz PVOPARFZPWUVJX-ZETCQYMHSA-N -1 3 288.225 2.779 20 30 CFEDHM C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593606510 349297479 /nfs/dbraw/zinc/29/74/79/349297479.db2.gz TZDMMJDEAIQAEG-GXFFZTMASA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@H](C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000593639550 349303143 /nfs/dbraw/zinc/30/31/43/349303143.db2.gz PVOPARFZPWUVJX-SSDOTTSWSA-N -1 3 288.225 2.779 20 30 CFEDHM CCc1cccc(C(=O)NCC2(C#N)CCCC2)c1[O-] ZINC000593774720 349323572 /nfs/dbraw/zinc/32/35/72/349323572.db2.gz HENDUXPQXPHMEK-UHFFFAOYSA-N -1 3 272.348 2.768 20 30 CFEDHM N#CC1(CC(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000594367956 349411758 /nfs/dbraw/zinc/41/17/58/349411758.db2.gz ZDUWTQJQTDLQKT-UHFFFAOYSA-N -1 3 250.685 2.678 20 30 CFEDHM C=CCCSCCNC(=O)c1ccc(C)cc1[O-] ZINC000597967904 350164451 /nfs/dbraw/zinc/16/44/51/350164451.db2.gz BCUMFYNMMPTFGT-UHFFFAOYSA-N -1 3 265.378 2.740 20 30 CFEDHM C=CCCSCCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000597969764 350165177 /nfs/dbraw/zinc/16/51/77/350165177.db2.gz GEUKIORTVSALDW-UHFFFAOYSA-N -1 3 293.388 2.634 20 30 CFEDHM N#CCCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598680957 350310101 /nfs/dbraw/zinc/31/01/01/350310101.db2.gz CIYIZHDMYUXOPG-UHFFFAOYSA-N -1 3 286.253 2.835 20 30 CFEDHM C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC000600780222 350610005 /nfs/dbraw/zinc/61/00/05/350610005.db2.gz PKWUKBSTNAEJHK-KPZWWZAWSA-N -1 3 294.354 2.980 20 30 CFEDHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000601821787 350785671 /nfs/dbraw/zinc/78/56/71/350785671.db2.gz SYHVGGQTFRCNMC-NOZJJQNGSA-N -1 3 278.739 2.810 20 30 CFEDHM CC(C)c1c(-c2ccccc2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601933707 350806853 /nfs/dbraw/zinc/80/68/53/350806853.db2.gz SELMQITYKFNKRQ-GXTWGEPZSA-N -1 3 269.348 2.665 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613276049 351929892 /nfs/dbraw/zinc/92/98/92/351929892.db2.gz YEVFTKVSWKTKGD-JTQLQIEISA-N -1 3 273.336 2.743 20 30 CFEDHM CC[C@H](C)CON=c1c(C#N)n[n-]c2ccccc21 ZINC000291985824 198125507 /nfs/dbraw/zinc/12/55/07/198125507.db2.gz XLFCISONSYEPFL-JTQLQIEISA-N -1 3 256.309 2.891 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000617042593 352478260 /nfs/dbraw/zinc/47/82/60/352478260.db2.gz TUEZVSQWEYMYQG-WCQYABFASA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000617042593 352478262 /nfs/dbraw/zinc/47/82/62/352478262.db2.gz TUEZVSQWEYMYQG-WCQYABFASA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000617042593 352478268 /nfs/dbraw/zinc/47/82/68/352478268.db2.gz TUEZVSQWEYMYQG-WCQYABFASA-N -1 3 284.363 2.823 20 30 CFEDHM N#Cc1c([N-]C(=O)c2nccs2)sc2c1CCC2 ZINC000618623594 352842516 /nfs/dbraw/zinc/84/25/16/352842516.db2.gz FFCDBWVAKKNXHG-UHFFFAOYSA-N -1 3 275.358 2.817 20 30 CFEDHM C=CCC1(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)CCCC1 ZINC000619111262 352955891 /nfs/dbraw/zinc/95/58/91/352955891.db2.gz YWGPYBUNGJNKRQ-UHFFFAOYSA-N -1 3 285.347 2.887 20 30 CFEDHM C=CCC1(NC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000619113750 352957754 /nfs/dbraw/zinc/95/77/54/352957754.db2.gz GYCVOIIBGHZAEP-UHFFFAOYSA-N -1 3 270.336 2.577 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)nc1 ZINC000292825620 198423910 /nfs/dbraw/zinc/42/39/10/198423910.db2.gz OIMQSSOXPGQHHZ-UHFFFAOYSA-N -1 3 260.671 2.563 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625167140 353986887 /nfs/dbraw/zinc/98/68/87/353986887.db2.gz IEYVGJZEOXRSMF-UHFFFAOYSA-N -1 3 275.320 2.518 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625180829 353988872 /nfs/dbraw/zinc/98/88/72/353988872.db2.gz PHCJQJPWXMEIME-SNVBAGLBSA-N -1 3 289.347 2.906 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000624974483 353963421 /nfs/dbraw/zinc/96/34/21/353963421.db2.gz OZYWQNAWLZDWQY-SECBINFHSA-N -1 3 275.320 2.516 20 30 CFEDHM C=CCOc1ccccc1CN1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000629772846 354927863 /nfs/dbraw/zinc/92/78/63/354927863.db2.gz YEKZPKCPAZAFQU-HIFRSBDPSA-N -1 3 289.375 2.794 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1csc([C@H](C)OC)n1 ZINC000294815949 199196577 /nfs/dbraw/zinc/19/65/77/199196577.db2.gz CJFXOUFBGROYQR-QMMMGPOBSA-N -1 3 290.335 2.678 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C#N)c(F)c1 ZINC000297519971 200217005 /nfs/dbraw/zinc/21/70/05/200217005.db2.gz WLEFVIASXZTVFK-SECBINFHSA-N -1 3 265.288 2.797 20 30 CFEDHM C#C[C@H](C)NCc1cc(Cl)c([O-])c(OCC)c1 ZINC000298218334 200363608 /nfs/dbraw/zinc/36/36/08/200363608.db2.gz ZXYZOUSXVUTXCJ-VIFPVBQESA-N -1 3 253.729 2.556 20 30 CFEDHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000459394691 245163516 /nfs/dbraw/zinc/16/35/16/245163516.db2.gz OKNQEFYLDPBOCJ-NSHDSACASA-N -1 3 294.358 2.782 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000032461020 372440432 /nfs/dbraw/zinc/44/04/32/372440432.db2.gz NVBFWQMNLCQDHL-UHFFFAOYSA-N -1 3 280.327 2.845 20 30 CFEDHM Cc1nnsc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000036685983 372585359 /nfs/dbraw/zinc/58/53/59/372585359.db2.gz GGXYMLOPVBAOJQ-UHFFFAOYSA-N -1 3 278.362 2.649 20 30 CFEDHM COc1ccc(OC)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493472 372843007 /nfs/dbraw/zinc/84/30/07/372843007.db2.gz UYOYSVBILVKZSI-ZDUSSCGKSA-N -1 3 282.299 2.589 20 30 CFEDHM COc1ccc(OC)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493473 372843810 /nfs/dbraw/zinc/84/38/10/372843810.db2.gz UYOYSVBILVKZSI-CYBMUJFWSA-N -1 3 282.299 2.589 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1ccco1 ZINC000049398939 373293308 /nfs/dbraw/zinc/29/33/08/373293308.db2.gz IPKXDDJCIUELRU-RITPCOANSA-N -1 3 286.213 2.808 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccco1 ZINC000049398939 373293323 /nfs/dbraw/zinc/29/33/23/373293323.db2.gz IPKXDDJCIUELRU-RITPCOANSA-N -1 3 286.213 2.808 20 30 CFEDHM Cc1ccsc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524510 373480207 /nfs/dbraw/zinc/48/02/07/373480207.db2.gz LOHGWSMWMAVMJK-UHFFFAOYSA-N -1 3 285.332 2.873 20 30 CFEDHM Cc1ccsc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524510 373480216 /nfs/dbraw/zinc/48/02/16/373480216.db2.gz LOHGWSMWMAVMJK-UHFFFAOYSA-N -1 3 285.332 2.873 20 30 CFEDHM Cc1ccsc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524510 373480225 /nfs/dbraw/zinc/48/02/25/373480225.db2.gz LOHGWSMWMAVMJK-UHFFFAOYSA-N -1 3 285.332 2.873 20 30 CFEDHM CN(C(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(C#N)c1 ZINC000063830844 373815229 /nfs/dbraw/zinc/81/52/29/373815229.db2.gz FSCHSDXXHUFDOI-UHFFFAOYSA-N -1 3 292.298 2.818 20 30 CFEDHM CN(C(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(C#N)c1 ZINC000063830844 373815234 /nfs/dbraw/zinc/81/52/34/373815234.db2.gz FSCHSDXXHUFDOI-UHFFFAOYSA-N -1 3 292.298 2.818 20 30 CFEDHM N#Cc1ccc(/C=C\C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000492212661 246222036 /nfs/dbraw/zinc/22/20/36/246222036.db2.gz BBBXLCFZYDPIJG-VURMDHGXSA-N -1 3 296.301 2.733 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492516288 246314767 /nfs/dbraw/zinc/31/47/67/246314767.db2.gz AUBLCVYNZUFALM-PLNGDYQASA-N -1 3 279.299 2.619 20 30 CFEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc(C#N)cn2C)n1 ZINC000083773406 374756624 /nfs/dbraw/zinc/75/66/24/374756624.db2.gz UNFTVBZMVYXDFS-NSHDSACASA-N -1 3 298.371 2.967 20 30 CFEDHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1ccccn1 ZINC000107408653 375806174 /nfs/dbraw/zinc/80/61/74/375806174.db2.gz QJAOXCSLVWDNSJ-ZDUSSCGKSA-N -1 3 290.282 2.622 20 30 CFEDHM CSc1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000112483800 375925726 /nfs/dbraw/zinc/92/57/26/375925726.db2.gz HFKQOLAYEGXOHE-VIFPVBQESA-N -1 3 258.302 2.887 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000116905876 376214662 /nfs/dbraw/zinc/21/46/62/376214662.db2.gz HQZMYCPZUDLBES-QMMMGPOBSA-N -1 3 283.378 2.656 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000122685057 376937758 /nfs/dbraw/zinc/93/77/58/376937758.db2.gz QYKDDZKIQANQLM-UHFFFAOYSA-N -1 3 280.176 2.848 20 30 CFEDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126571080 377234562 /nfs/dbraw/zinc/23/45/62/377234562.db2.gz CDXABRCHXKMEFZ-SECBINFHSA-N -1 3 286.784 2.536 20 30 CFEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000132041769 377796000 /nfs/dbraw/zinc/79/60/00/377796000.db2.gz WDONZQQBFDBXJQ-ONGXEEELSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(C)=O)c(C)c1 ZINC000134774714 378048898 /nfs/dbraw/zinc/04/88/98/378048898.db2.gz VPCXNVGZAUMVLY-UHFFFAOYSA-N -1 3 267.350 2.515 20 30 CFEDHM CC[C@H](CC#N)NCc1cc(Br)ccc1[O-] ZINC000135041516 378078329 /nfs/dbraw/zinc/07/83/29/378078329.db2.gz KXTWIZRVIRQHRY-LLVKDONJSA-N -1 3 283.169 2.937 20 30 CFEDHM C=CCNc1ncc(C(=O)Nc2ccccc2[O-])s1 ZINC000136094770 378178928 /nfs/dbraw/zinc/17/89/28/378178928.db2.gz RTGALOFZKTYVDO-UHFFFAOYSA-N -1 3 275.333 2.699 20 30 CFEDHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@]12CCOC2 ZINC000329739603 378488975 /nfs/dbraw/zinc/48/89/75/378488975.db2.gz NMVVRGYDYMLESS-RNCFNFMXSA-N -1 3 251.257 2.546 20 30 CFEDHM CC(C)C[C@@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000330389733 378543506 /nfs/dbraw/zinc/54/35/06/378543506.db2.gz YFSFQWZBJSFGMN-MRVPVSSYSA-N -1 3 264.304 2.836 20 30 CFEDHM CC(C)C[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000330389733 378543511 /nfs/dbraw/zinc/54/35/11/378543511.db2.gz YFSFQWZBJSFGMN-MRVPVSSYSA-N -1 3 264.304 2.836 20 30 CFEDHM CC(C)C[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000330389733 378543516 /nfs/dbraw/zinc/54/35/16/378543516.db2.gz YFSFQWZBJSFGMN-MRVPVSSYSA-N -1 3 264.304 2.836 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1C(C)C ZINC000330640831 378593176 /nfs/dbraw/zinc/59/31/76/378593176.db2.gz WWERCMRQGCJNRO-ZDUSSCGKSA-N -1 3 297.362 2.669 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@@]2(C)CCCOC2)c1 ZINC000330649217 378594175 /nfs/dbraw/zinc/59/41/75/378594175.db2.gz IVKCEISKKVMHSG-HNNXBMFYSA-N -1 3 263.337 2.828 20 30 CFEDHM CC(=O)c1ccc(C(=O)NCC2(O)CCCCC2)cc1[O-] ZINC000331238941 378655457 /nfs/dbraw/zinc/65/54/57/378655457.db2.gz NWVUFFNIFZKDKQ-UHFFFAOYSA-N -1 3 291.347 2.595 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278861154 194187184 /nfs/dbraw/zinc/18/71/84/194187184.db2.gz UJIBNJAWKBALGC-VIFPVBQESA-N -1 3 289.784 2.592 20 30 CFEDHM C=CCOCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000266565817 190267147 /nfs/dbraw/zinc/26/71/47/190267147.db2.gz KGKGXTSTTXQROA-UHFFFAOYSA-N -1 3 260.293 2.577 20 30 CFEDHM CCCOc1ccc(/C=N/[C@H]2CCCOC2)c([O-])c1 ZINC000171647968 379364266 /nfs/dbraw/zinc/36/42/66/379364266.db2.gz WQQZWXHAQHWXGO-RKPNYOAGSA-N -1 3 263.337 2.779 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000335836598 379970176 /nfs/dbraw/zinc/97/01/76/379970176.db2.gz JORQOQGQEOPDOR-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1sccc1C#N ZINC000179546544 380554335 /nfs/dbraw/zinc/55/43/35/380554335.db2.gz JZZKEPKTLDIYPI-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM N#Cc1cccc(SCC(=O)Nc2ccccc2[O-])c1 ZINC000180713553 380692947 /nfs/dbraw/zinc/69/29/47/380692947.db2.gz GXSRJENAPAUABD-UHFFFAOYSA-N -1 3 284.340 2.995 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1ccc(C#N)c(C)n1 ZINC000183041412 381201007 /nfs/dbraw/zinc/20/10/07/381201007.db2.gz BZCXVDCUYMAGMZ-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)cc(C)c1F ZINC000354400901 381245535 /nfs/dbraw/zinc/24/55/35/381245535.db2.gz GEHNBJJRSYMZBZ-GFCCVEGCSA-N -1 3 269.279 2.723 20 30 CFEDHM N#CC(=C([O-])c1ccc2c(c1)CCC=C2)c1ccncn1 ZINC000342463394 381344192 /nfs/dbraw/zinc/34/41/92/381344192.db2.gz PIKZAMZFWPINLT-HNNXBMFYSA-N -1 3 275.311 2.926 20 30 CFEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000412990260 381524131 /nfs/dbraw/zinc/52/41/31/381524131.db2.gz FGYYGJSIUXDRHL-UHFFFAOYSA-N -1 3 285.278 2.649 20 30 CFEDHM Cc1cccc2c1[n-]cc(C(=O)NCCCCC#N)c2=O ZINC000185418581 381626231 /nfs/dbraw/zinc/62/62/31/381626231.db2.gz VVKARWUNMRKDNU-UHFFFAOYSA-N -1 3 283.331 2.673 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2cc(C#N)cn2C)c2c([O-])cccc21 ZINC000186331850 381883912 /nfs/dbraw/zinc/88/39/12/381883912.db2.gz RQDKEXFXXOEMDU-LLVKDONJSA-N -1 3 295.342 2.756 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)c(C#N)c1 ZINC000292946638 381916892 /nfs/dbraw/zinc/91/68/92/381916892.db2.gz NVGBWROMGWFPTP-SECBINFHSA-N -1 3 265.288 2.797 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1cccc(OC)c1[O-] ZINC000299296883 381887931 /nfs/dbraw/zinc/88/79/31/381887931.db2.gz MBJXERCXKKWOKW-UHFFFAOYSA-N -1 3 289.253 2.591 20 30 CFEDHM N#CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000416346709 381888772 /nfs/dbraw/zinc/88/87/72/381888772.db2.gz MCFKWPBHQAXZAE-UHFFFAOYSA-N -1 3 290.338 2.664 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000299451196 381949213 /nfs/dbraw/zinc/94/92/13/381949213.db2.gz ZCQSBRLOUSYCMS-ZDUSSCGKSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000299451196 381949219 /nfs/dbraw/zinc/94/92/19/381949219.db2.gz ZCQSBRLOUSYCMS-ZDUSSCGKSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000299451196 381949226 /nfs/dbraw/zinc/94/92/26/381949226.db2.gz ZCQSBRLOUSYCMS-ZDUSSCGKSA-N -1 3 260.297 2.606 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000293077953 381980818 /nfs/dbraw/zinc/98/08/18/381980818.db2.gz QEWMPDTWAMPOCS-JTQLQIEISA-N -1 3 299.321 2.972 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000293077956 381981058 /nfs/dbraw/zinc/98/10/58/381981058.db2.gz QEWMPDTWAMPOCS-SNVBAGLBSA-N -1 3 299.321 2.972 20 30 CFEDHM CCc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)ccc1[O-] ZINC000362967233 382224066 /nfs/dbraw/zinc/22/40/66/382224066.db2.gz PTLTZQRTUJFLCQ-LLVKDONJSA-N -1 3 272.348 2.719 20 30 CFEDHM O=C(NC[C@H]1CCCC(F)(F)C1)c1csc(=O)[n-]1 ZINC000328645720 382560426 /nfs/dbraw/zinc/56/04/26/382560426.db2.gz GNCVRNKIGPSZRL-ZETCQYMHSA-N -1 3 276.308 2.979 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)s1 ZINC000387235613 382597250 /nfs/dbraw/zinc/59/72/50/382597250.db2.gz ISUDWNIDAPIEMM-LLVKDONJSA-N -1 3 296.417 2.621 20 30 CFEDHM CCCn1c(SCc2ccc(C#N)c(F)c2)n[n-]c1=O ZINC000358398556 382600268 /nfs/dbraw/zinc/60/02/68/382600268.db2.gz XFLXVIPZHKISIY-UHFFFAOYSA-N -1 3 292.339 2.697 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(C#N)cc2)n1 ZINC000192528306 382709951 /nfs/dbraw/zinc/70/99/51/382709951.db2.gz GBGDMCIMJALARD-GFCCVEGCSA-N -1 3 282.347 2.555 20 30 CFEDHM CC1(C)CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230340988 382859425 /nfs/dbraw/zinc/85/94/25/382859425.db2.gz MNGOAODGLAKPKG-UHFFFAOYSA-N -1 3 298.433 2.867 20 30 CFEDHM COc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)ccc1[O-] ZINC000442640274 382940379 /nfs/dbraw/zinc/94/03/79/382940379.db2.gz AKILBWVKYAFAOK-UHFFFAOYSA-N -1 3 296.326 2.545 20 30 CFEDHM COC(=O)N1CCC[C@H]([C@@H](C)/N=C/c2ccccc2[O-])C1 ZINC000495471635 382989620 /nfs/dbraw/zinc/98/96/20/382989620.db2.gz ALQYKMJJDAQXJZ-STYDFJLESA-N -1 3 290.363 2.678 20 30 CFEDHM CC(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1[O-] ZINC000552069223 383068743 /nfs/dbraw/zinc/06/87/43/383068743.db2.gz JHJZZWPHYIDVKA-UHFFFAOYSA-N -1 3 280.283 2.719 20 30 CFEDHM CCCCn1c(SCC(C)(C)CC#N)n[n-]c1=O ZINC000515672852 383161260 /nfs/dbraw/zinc/16/12/60/383161260.db2.gz KGKUOXVHQLXAHL-UHFFFAOYSA-N -1 3 268.386 2.816 20 30 CFEDHM Cc1c2occ([O-])c2ccc1OCCC(C)(C)C#N ZINC000634560365 383234594 /nfs/dbraw/zinc/23/45/94/383234594.db2.gz FSGODTKOGSTMQD-UHFFFAOYSA-N -1 3 259.305 2.889 20 30 CFEDHM CC#CCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000339753967 383305948 /nfs/dbraw/zinc/30/59/48/383305948.db2.gz LRQDKSOWFSMDTI-UHFFFAOYSA-N -1 3 281.315 2.537 20 30 CFEDHM C=CCN(CC=C)[C@H](CN=c1[n-]nc(C(C)C)o1)C(C)C ZINC000450248229 383387596 /nfs/dbraw/zinc/38/75/96/383387596.db2.gz WGPDVFQWONMYIW-CQSZACIVSA-N -1 3 292.427 2.725 20 30 CFEDHM C=CCCCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000569239612 383481581 /nfs/dbraw/zinc/48/15/81/383481581.db2.gz WPEJXNGWHQUTPW-UHFFFAOYSA-N -1 3 265.328 2.936 20 30 CFEDHM CCCCn1c(SCC2(C#N)CCC2)n[n-]c1=O ZINC000450702311 383483658 /nfs/dbraw/zinc/48/36/58/383483658.db2.gz IMMOBCARJUZQGW-UHFFFAOYSA-N -1 3 266.370 2.570 20 30 CFEDHM Cc1cscc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000429344903 383521761 /nfs/dbraw/zinc/52/17/61/383521761.db2.gz OFTVBLRBOKPFDI-NSHDSACASA-N -1 3 271.345 2.953 20 30 CFEDHM Cc1nsc(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000429687879 383558545 /nfs/dbraw/zinc/55/85/45/383558545.db2.gz VJAPWPDGCZAKCH-SNVBAGLBSA-N -1 3 257.318 2.645 20 30 CFEDHM Cc1ccc(NC(=O)Cc2cccc(C#N)c2)c([O-])c1 ZINC000530919716 383804522 /nfs/dbraw/zinc/80/45/22/383804522.db2.gz WKSMBPDVWVOMOB-UHFFFAOYSA-N -1 3 266.300 2.754 20 30 CFEDHM N#CCC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000435959907 383782450 /nfs/dbraw/zinc/78/24/50/383782450.db2.gz OQHQGAUDIFBCLU-UHFFFAOYSA-N -1 3 290.338 2.664 20 30 CFEDHM Cc1cccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c1[O-] ZINC000436607048 383852973 /nfs/dbraw/zinc/85/29/73/383852973.db2.gz NWBBOFUIGFKTQJ-UHFFFAOYSA-N -1 3 292.338 2.991 20 30 CFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436842600 383898292 /nfs/dbraw/zinc/89/82/92/383898292.db2.gz XHTVIYSFTWKCJO-HNNXBMFYSA-N -1 3 296.326 2.655 20 30 CFEDHM C=CCN(C)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000436978418 383898371 /nfs/dbraw/zinc/89/83/71/383898371.db2.gz HPEOQMWQLCIGPD-UHFFFAOYSA-N -1 3 263.337 2.829 20 30 CFEDHM CCCCOc1ccc(C(=O)NCCCC#N)c([O-])c1 ZINC000436979844 383899231 /nfs/dbraw/zinc/89/92/31/383899231.db2.gz BUZHWRDMYJTQQZ-UHFFFAOYSA-N -1 3 276.336 2.605 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000279652245 384709067 /nfs/dbraw/zinc/70/90/67/384709067.db2.gz BVUKCMQRNRQYSE-UHFFFAOYSA-N -1 3 293.310 2.950 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C(C)C ZINC000269997793 384935836 /nfs/dbraw/zinc/93/58/36/384935836.db2.gz VIDAFZPZFMCENQ-LBPRGKRZSA-N -1 3 296.317 2.841 20 30 CFEDHM CC(C)(C)[C@@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000270580014 385152320 /nfs/dbraw/zinc/15/23/20/385152320.db2.gz FHUVQIBLKQYLSW-FMBJEWMDSA-N -1 3 293.363 2.816 20 30 CFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C(C)C ZINC000282256213 385263470 /nfs/dbraw/zinc/26/34/70/385263470.db2.gz VYBUHQHIELDSTF-GFCCVEGCSA-N -1 3 251.276 2.552 20 30 CFEDHM COc1ccc(C(=O)N[C@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000331249247 335052732 /nfs/dbraw/zinc/05/27/32/335052732.db2.gz VINBEXJQPKNYGE-MNOVXSKESA-N -1 3 279.336 2.521 20 30 CFEDHM CCc1ocnc1C(=O)[N-]c1scc(C)c1C#N ZINC000288898345 197188293 /nfs/dbraw/zinc/18/82/93/197188293.db2.gz SRAZTUKHYJLYJM-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)C2(C#N)CCCCC2)n1 ZINC000408190199 393625101 /nfs/dbraw/zinc/62/51/01/393625101.db2.gz UJCANFOTXANAFF-UHFFFAOYSA-N -1 3 259.309 2.508 20 30 CFEDHM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000338862518 393803080 /nfs/dbraw/zinc/80/30/80/393803080.db2.gz QNODFAKRIUYQJC-ZDUSSCGKSA-N -1 3 276.299 2.756 20 30 CFEDHM COc1ccc(C(=O)N(CCC#N)CCC(C)C)c([O-])c1 ZINC000094107573 393807857 /nfs/dbraw/zinc/80/78/57/393807857.db2.gz YNHMBKKVWFDBQF-UHFFFAOYSA-N -1 3 290.363 2.803 20 30 CFEDHM Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)c([O-])c1 ZINC000109541730 393878901 /nfs/dbraw/zinc/87/89/01/393878901.db2.gz YZYGPFIJCQNCSD-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM C=C(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346310547 393926495 /nfs/dbraw/zinc/92/64/95/393926495.db2.gz QPPXFNDUMASVCO-UHFFFAOYSA-N -1 3 251.301 2.546 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(SC)ccc1C ZINC000416966818 393946673 /nfs/dbraw/zinc/94/66/73/393946673.db2.gz YVUMHGCDQQWHLK-LLVKDONJSA-N -1 3 284.406 2.761 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000416948691 393947277 /nfs/dbraw/zinc/94/72/77/393947277.db2.gz PUWHEJRVQHCVGZ-CYBMUJFWSA-N -1 3 291.376 2.532 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000416452446 393920987 /nfs/dbraw/zinc/92/09/87/393920987.db2.gz CTWCNUIFQRDXKA-GFCCVEGCSA-N -1 3 299.440 2.567 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000121638524 393957816 /nfs/dbraw/zinc/95/78/16/393957816.db2.gz HISMBBWWUZOIDW-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000121638524 393957818 /nfs/dbraw/zinc/95/78/18/393957818.db2.gz HISMBBWWUZOIDW-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=C(CNCc1nc(C)ccc1[O-])c1ccccc1 ZINC000348796266 393958604 /nfs/dbraw/zinc/95/86/04/393958604.db2.gz GJKGJNJBEJPPTC-UHFFFAOYSA-N -1 3 254.333 2.899 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2sccc2C#N)c1 ZINC000128947686 394079800 /nfs/dbraw/zinc/07/98/00/394079800.db2.gz CQRRCFYKLKOCQC-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM C=C[C@@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000289929335 394224853 /nfs/dbraw/zinc/22/48/53/394224853.db2.gz VLDLITXNMUQZGT-SFYZADRCSA-N -1 3 276.163 2.897 20 30 CFEDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157290486 394343479 /nfs/dbraw/zinc/34/34/79/394343479.db2.gz CEHPVEHJCXHOBQ-BXKDBHETSA-N -1 3 298.795 2.679 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cnn(-c2ccccc2C)c1 ZINC000647647008 395405148 /nfs/dbraw/zinc/40/51/48/395405148.db2.gz ZDSZHOBHCBYNFO-HNNXBMFYSA-N -1 3 299.374 2.690 20 30 CFEDHM Cc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)s1 ZINC000047343312 397585280 /nfs/dbraw/zinc/58/52/80/397585280.db2.gz SNLCUHYRNVASGG-UHFFFAOYSA-N -1 3 285.332 2.873 20 30 CFEDHM Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)s1 ZINC000047343312 397585281 /nfs/dbraw/zinc/58/52/81/397585281.db2.gz SNLCUHYRNVASGG-UHFFFAOYSA-N -1 3 285.332 2.873 20 30 CFEDHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)s1 ZINC000047343312 397585283 /nfs/dbraw/zinc/58/52/83/397585283.db2.gz SNLCUHYRNVASGG-UHFFFAOYSA-N -1 3 285.332 2.873 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000657077110 413304407 /nfs/dbraw/zinc/30/44/07/413304407.db2.gz LJRFKKGVIBEJBY-UHFFFAOYSA-N -1 3 277.748 2.642 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2ccccc2F)CCCC1 ZINC000657190260 413331164 /nfs/dbraw/zinc/33/11/64/413331164.db2.gz ZHBNVMREUOROPA-UHFFFAOYSA-N -1 3 283.368 2.993 20 30 CFEDHM Cc1cc(C(=O)[N-]c2cc(C#N)c3ccccc3n2)on1 ZINC000345042172 162166314 /nfs/dbraw/zinc/16/63/14/162166314.db2.gz YQNGXIAQQWGZQD-UHFFFAOYSA-N -1 3 278.271 2.655 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651679557 413566906 /nfs/dbraw/zinc/56/69/06/413566906.db2.gz FCQMNEKGDPRWRM-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM C[C@H](CCC#N)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000663154159 414655328 /nfs/dbraw/zinc/65/53/28/414655328.db2.gz GKTBVDCMNZAXES-CYBMUJFWSA-N -1 3 286.375 2.979 20 30 CFEDHM N#CC1(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)CCCCC1 ZINC000332610119 228163958 /nfs/dbraw/zinc/16/39/58/228163958.db2.gz BSCFXRWHHGXOEG-UHFFFAOYSA-N -1 3 294.358 2.911 20 30 CFEDHM CCOC(=O)N[C@@H](C/N=C/c1ccccc1[O-])CC(C)C ZINC000075474261 260290551 /nfs/dbraw/zinc/29/05/51/260290551.db2.gz AEKCADKDLGERMM-NGWPFTMJSA-N -1 3 292.379 2.972 20 30 CFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccccc2[O-])C1 ZINC000152181746 261061102 /nfs/dbraw/zinc/06/11/02/261061102.db2.gz DFLHUEFSENRBTP-ABAIWWIYSA-N -1 3 258.321 2.594 20 30 CFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccccc2[O-])C1 ZINC000152181641 261061310 /nfs/dbraw/zinc/06/13/10/261061310.db2.gz DFLHUEFSENRBTP-XHDPSFHLSA-N -1 3 258.321 2.594 20 30 CFEDHM COc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c([O-])c1 ZINC000152164542 261060715 /nfs/dbraw/zinc/06/07/15/261060715.db2.gz GGQNBWBWBNYCAJ-MEDUHNTESA-N -1 3 288.347 2.603 20 30 CFEDHM CSC1(C/N=C/c2ccccc2[O-])CCOCC1 ZINC000158163255 261160136 /nfs/dbraw/zinc/16/01/36/261160136.db2.gz LCKRLHAVWRZELI-XNTDXEJSSA-N -1 3 265.378 2.723 20 30 CFEDHM C=C(Cl)CNCc1cc(Cl)cc(OC)c1[O-] ZINC000164773407 261358489 /nfs/dbraw/zinc/35/84/89/261358489.db2.gz XJBYSLPQFNIHKB-UHFFFAOYSA-N -1 3 262.136 2.896 20 30 CFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000182011295 261919657 /nfs/dbraw/zinc/91/96/57/261919657.db2.gz JOUCDJIUODRUQQ-RISCZKNCSA-N -1 3 296.367 2.576 20 30 CFEDHM COC1(C/N=C/c2ccc(O)c([O-])c2O)CCCCC1 ZINC000186844254 262111959 /nfs/dbraw/zinc/11/19/59/262111959.db2.gz UNDNMDQFMQWBMV-CXUHLZMHSA-N -1 3 279.336 2.572 20 30 CFEDHM COC(=O)c1cnc(SCCCC(C)(C)C#N)[n-]1 ZINC000188058225 262148004 /nfs/dbraw/zinc/14/80/04/262148004.db2.gz BERDTTBRJYKILR-UHFFFAOYSA-N -1 3 267.354 2.618 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000302570668 262264000 /nfs/dbraw/zinc/26/40/00/262264000.db2.gz PEEYHGYCHDIAHD-MRVPVSSYSA-N -1 3 290.747 2.831 20 30 CFEDHM Cc1ccc2[n-]cc(C(=O)N(C)[C@H](C)CC#N)c(=O)c2c1 ZINC000273281507 263014624 /nfs/dbraw/zinc/01/46/24/263014624.db2.gz WRASKGFMAXZLAI-LLVKDONJSA-N -1 3 283.331 2.623 20 30 CFEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccc1[O-] ZINC000277434110 263041196 /nfs/dbraw/zinc/04/11/96/263041196.db2.gz DVOCROWWBQDOIB-AWEZNQCLSA-N -1 3 272.348 2.855 20 30 CFEDHM COc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)ccc1[O-] ZINC000277575981 263042194 /nfs/dbraw/zinc/04/21/94/263042194.db2.gz RAQAGWLCZFBKGJ-AWEZNQCLSA-N -1 3 288.347 2.555 20 30 CFEDHM C=C[C@H](CC(=O)Nc1nnc(SC)[n-]1)c1ccccc1 ZINC000340127902 263074712 /nfs/dbraw/zinc/07/47/12/263074712.db2.gz ZMCIGDDKYAWNPE-SNVBAGLBSA-N -1 3 288.376 2.825 20 30 CFEDHM C=C[C@H](CC(=O)Nc1nc(SC)n[n-]1)c1ccccc1 ZINC000340127902 263074713 /nfs/dbraw/zinc/07/47/13/263074713.db2.gz ZMCIGDDKYAWNPE-SNVBAGLBSA-N -1 3 288.376 2.825 20 30 CFEDHM C=C[C@H](CC(=O)Nc1n[n-]c(SC)n1)c1ccccc1 ZINC000340127902 263074714 /nfs/dbraw/zinc/07/47/14/263074714.db2.gz ZMCIGDDKYAWNPE-SNVBAGLBSA-N -1 3 288.376 2.825 20 30 CFEDHM CCCOc1ccc(/C=N/CCC2(O)CCC2)c([O-])c1 ZINC000283977108 263085362 /nfs/dbraw/zinc/08/53/62/263085362.db2.gz OAIUNMUBNJXJIE-SFQUDFHCSA-N -1 3 277.364 2.905 20 30 CFEDHM CCCOc1ccc(/C=N/Cc2cc(C)nn2C)c([O-])c1 ZINC000284101970 263085886 /nfs/dbraw/zinc/08/58/86/263085886.db2.gz WGZNOSWQFMNSLW-LICLKQGHSA-N -1 3 287.363 2.842 20 30 CFEDHM CC[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294421184 263161372 /nfs/dbraw/zinc/16/13/72/263161372.db2.gz FGWIXXSZJRHXDP-CQSZACIVSA-N -1 3 282.343 2.896 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000340877239 263311027 /nfs/dbraw/zinc/31/10/27/263311027.db2.gz HTOXBNGCYCLMKQ-SSDOTTSWSA-N -1 3 280.176 2.846 20 30 CFEDHM CC[C@@](C)(CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331228559 264151289 /nfs/dbraw/zinc/15/12/89/264151289.db2.gz FTZHNBUWANKBKA-HNNXBMFYSA-N -1 3 265.353 2.981 20 30 CFEDHM Cc1ccc(C(=O)NC(C)(C)C(C)(C)CO)c([O-])c1 ZINC000331229744 264152296 /nfs/dbraw/zinc/15/22/96/264152296.db2.gz GPBIXTGRUMIAIP-UHFFFAOYSA-N -1 3 265.353 2.802 20 30 CFEDHM CCc1ccc(C(=O)N[C@]2(C)CCCOC2)c([O-])c1 ZINC000331246902 264179620 /nfs/dbraw/zinc/17/96/20/264179620.db2.gz VNOONXOVGDXYLK-OAHLLOKOSA-N -1 3 263.337 2.828 20 30 CFEDHM C[C@H](CC#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331251427 264181246 /nfs/dbraw/zinc/18/12/46/264181246.db2.gz ZXBRGEJZTLZKNN-SECBINFHSA-N -1 3 274.320 2.712 20 30 CFEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1[O-] ZINC000331347465 264205863 /nfs/dbraw/zinc/20/58/63/264205863.db2.gz MLVJTMANMREZAC-WCQYABFASA-N -1 3 272.304 2.592 20 30 CFEDHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000533551452 269988119 /nfs/dbraw/zinc/98/81/19/269988119.db2.gz QXSJPNHQPIFTIR-UHFFFAOYSA-N -1 3 298.383 2.802 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Br)cc1 ZINC000417629130 264542059 /nfs/dbraw/zinc/54/20/59/264542059.db2.gz RRWWPHYBFRZAQD-GFCCVEGCSA-N -1 3 298.180 2.958 20 30 CFEDHM C[C@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094062340 265213293 /nfs/dbraw/zinc/21/32/93/265213293.db2.gz AOFOVXZXFPQDOF-GFCCVEGCSA-N -1 3 296.326 2.613 20 30 CFEDHM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000357794221 266364700 /nfs/dbraw/zinc/36/47/00/266364700.db2.gz FBSAQELYBGMQKN-GFCCVEGCSA-N -1 3 299.305 2.731 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H]1C ZINC000230333378 267016288 /nfs/dbraw/zinc/01/62/88/267016288.db2.gz CIAOURRDUYXPMC-CKYFFXLPSA-N -1 3 298.433 2.723 20 30 CFEDHM N#Cc1ccc2nc(-c3cc([O-])cc(F)c3)[nH]c2c1 ZINC000184582310 268218282 /nfs/dbraw/zinc/21/82/82/268218282.db2.gz ZDRHAXALTYGHJV-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM CC1(C)CCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329344354 278230454 /nfs/dbraw/zinc/23/04/54/278230454.db2.gz UGGHEQMOUGDKAR-MRVPVSSYSA-N -1 3 254.355 2.980 20 30 CFEDHM Cc1cccc(C(=O)N(C)c2cccc(C#N)c2)c1[O-] ZINC000059095625 280457044 /nfs/dbraw/zinc/45/70/44/280457044.db2.gz WPIMWDRKBJYXTR-UHFFFAOYSA-N -1 3 266.300 2.849 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])c3ccccc23)[nH]1 ZINC000551704679 281840519 /nfs/dbraw/zinc/84/05/19/281840519.db2.gz CFIXZISVGMPXAN-UHFFFAOYSA-N -1 3 277.283 2.997 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)N1CCCc2cccc([O-])c21 ZINC000281001020 294026576 /nfs/dbraw/zinc/02/65/76/294026576.db2.gz GCACRHWBFHADTI-UHFFFAOYSA-N -1 3 282.299 2.758 20 30 CFEDHM C[C@H](CCO)C1(C/N=C/c2ccccc2[O-])CCC1 ZINC000271851892 328198117 /nfs/dbraw/zinc/19/81/17/328198117.db2.gz WGRFKVHPADPTCV-VVBXCHJUSA-N -1 3 261.365 3.000 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2c3ccccc3O[C@@H]2C)c1[O-] ZINC000289945406 328256823 /nfs/dbraw/zinc/25/68/23/328256823.db2.gz OUCDDNVPBURAMG-QCCQCXHASA-N -1 3 298.342 2.529 20 30 CFEDHM C[C@@H]1CCN(C(=O)CCCC#N)c2c([O-])cccc21 ZINC000291683696 328265687 /nfs/dbraw/zinc/26/56/87/328265687.db2.gz NDLCBZYHGMPELX-LLVKDONJSA-N -1 3 258.321 2.926 20 30 CFEDHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c([O-])c1C ZINC000295566283 328286017 /nfs/dbraw/zinc/28/60/17/328286017.db2.gz OLAGTMYFYMLZFH-STQMWFEESA-N -1 3 272.348 2.821 20 30 CFEDHM N#Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c[nH]1 ZINC000182732951 323879798 /nfs/dbraw/zinc/87/97/98/323879798.db2.gz JTTKISSSJBPBEN-UHFFFAOYSA-N -1 3 295.220 2.863 20 30 CFEDHM N#Cc1ccc(NCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000350567605 324232700 /nfs/dbraw/zinc/23/27/00/324232700.db2.gz IFVXLHCHQOHLNU-UHFFFAOYSA-N -1 3 292.298 2.926 20 30 CFEDHM N#Cc1ccccc1OCc1nc(-c2ccc([O-])cc2)no1 ZINC000350570455 324233612 /nfs/dbraw/zinc/23/36/12/324233612.db2.gz BJUYQCLITXHVOS-UHFFFAOYSA-N -1 3 293.282 2.893 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC[C@H]2CCCC2=O)c1 ZINC000331047781 328475524 /nfs/dbraw/zinc/47/55/24/328475524.db2.gz HFVGZAGROVIZIL-LLVKDONJSA-N -1 3 261.321 2.628 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000152705330 327291109 /nfs/dbraw/zinc/29/11/09/327291109.db2.gz ACHWACODUZVKIT-QMMMGPOBSA-N -1 3 279.283 2.558 20 30 CFEDHM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000560528739 327319350 /nfs/dbraw/zinc/31/93/50/327319350.db2.gz RBUXCPIEEKDFNY-LLVKDONJSA-N -1 3 267.288 2.746 20 30 CFEDHM C=CCC1(c2nc(-c3cc(=O)[n-]cn3)no2)CCCC1 ZINC000582487005 329096695 /nfs/dbraw/zinc/09/66/95/329096695.db2.gz HYSCTCJCXLAWCL-UHFFFAOYSA-N -1 3 272.308 2.620 20 30 CFEDHM N#C[C@@]1(NC(=O)c2ccccc2[O-])CCc2ccccc2C1 ZINC000183943949 329255079 /nfs/dbraw/zinc/25/50/79/329255079.db2.gz GVIYMUZLVJNDFD-GOSISDBHSA-N -1 3 292.338 2.573 20 30 CFEDHM CCCCn1cc(C([O-])=C(C#N)c2ccccn2)c(C)n1 ZINC000187475663 329357951 /nfs/dbraw/zinc/35/79/51/329357951.db2.gz FEVFRQFSEMJLGE-ZDUSSCGKSA-N -1 3 282.347 2.877 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(OC)ccc1[O-] ZINC000398247493 329439238 /nfs/dbraw/zinc/43/92/38/329439238.db2.gz 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ZINC000491693860 332290199 /nfs/dbraw/zinc/29/01/99/332290199.db2.gz JXCBVXVJOOEMSQ-JTQLQIEISA-N -1 3 267.756 2.898 20 30 CFEDHM N#CCCN(Cc1ccco1)C(=O)c1cccc([O-])c1 ZINC000194044305 333264522 /nfs/dbraw/zinc/26/45/22/333264522.db2.gz PJARTQLGHBDOED-UHFFFAOYSA-N -1 3 270.288 2.541 20 30 CFEDHM C=CCC[C@H](C(=O)N=c1cc(OC)n(C)[n-]1)c1ccccc1 ZINC000547654889 334106618 /nfs/dbraw/zinc/10/66/18/334106618.db2.gz YNBDKLAWWNWXEV-AWEZNQCLSA-N -1 3 299.374 2.539 20 30 CFEDHM Cc1ccc(F)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000550105484 334213250 /nfs/dbraw/zinc/21/32/50/334213250.db2.gz IPLNDWLMBRPBIW-UHFFFAOYSA-N -1 3 284.356 2.816 20 30 CFEDHM C=C1CCN(CC[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000568062895 334788814 /nfs/dbraw/zinc/78/88/14/334788814.db2.gz UQPIGSCXIMSPFA-OAHLLOKOSA-N -1 3 259.349 2.897 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000180842567 335626125 /nfs/dbraw/zinc/62/61/25/335626125.db2.gz BUOPWPAXTOTJSX-VIFPVBQESA-N -1 3 288.438 2.783 20 30 CFEDHM N#CC(=C([O-])c1cccc2ncccc21)c1ccncn1 ZINC000354466870 534740471 /nfs/dbraw/zinc/74/04/71/534740471.db2.gz KIVXGCVUXAPDTA-ZDUSSCGKSA-N -1 3 274.283 2.515 20 30 CFEDHM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230350046 524198319 /nfs/dbraw/zinc/19/83/19/524198319.db2.gz AEXZJMDXVHESEU-QWRGUYRKSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCc2ccc(C#N)cc2)c1 ZINC000055460852 525336466 /nfs/dbraw/zinc/33/64/66/525336466.db2.gz MSDFSLONVVHRDS-UHFFFAOYSA-N -1 3 266.300 2.502 20 30 CFEDHM N#Cc1ccccc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000050924987 526734943 /nfs/dbraw/zinc/73/49/43/526734943.db2.gz GYMBEEUOTSKOSW-HNNXBMFYSA-N -1 3 272.348 2.778 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000353172751 527053369 /nfs/dbraw/zinc/05/33/69/527053369.db2.gz CMHRLJLPQZZPLN-SNVBAGLBSA-N -1 3 289.347 2.906 20 30 CFEDHM CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169257021 528214499 /nfs/dbraw/zinc/21/44/99/528214499.db2.gz NVONFYGNJIZEPN-UHFFFAOYSA-N -1 3 286.784 2.680 20 30 CFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744028692 574049930 /nfs/dbraw/zinc/04/99/30/574049930.db2.gz NRUDOUKSJQBFRI-YYRKOSNBSA-N -1 3 282.343 2.863 20 30 CFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744031146 574049963 /nfs/dbraw/zinc/04/99/63/574049963.db2.gz RONAWINWSUTPRV-LXKVQUBZSA-N -1 3 298.342 2.699 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1ccc(Cl)nc1 ZINC000753959499 574059735 /nfs/dbraw/zinc/05/97/35/574059735.db2.gz JVHAGOKUUBQBEW-UHFFFAOYSA-N -1 3 290.685 2.642 20 30 CFEDHM Cc1cc(C)nc(N=NC(C)c2ccc(F)cc2[O-])n1 ZINC000727779421 574065021 /nfs/dbraw/zinc/06/50/21/574065021.db2.gz BLZZCXUKCXPVOL-UHFFFAOYSA-N -1 3 274.299 2.774 20 30 CFEDHM Cc1nc(C#N)c(N=NC(C)c2ccc([O-])c(F)c2)o1 ZINC000728429516 574095634 /nfs/dbraw/zinc/09/56/34/574095634.db2.gz INPLIEWGLCICDK-UHFFFAOYSA-N -1 3 274.255 2.536 20 30 CFEDHM CCOc1ccc(/C=N/[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000730951444 574104035 /nfs/dbraw/zinc/10/40/35/574104035.db2.gz NESYYDGYMGVKIP-MUOOZZNISA-N -1 3 293.363 2.940 20 30 CFEDHM C#CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000730951781 574104083 /nfs/dbraw/zinc/10/40/83/574104083.db2.gz QMMKQWCKOCXYPP-UHFFFAOYSA-N -1 3 283.283 2.566 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC[C@H]1CCOC1 ZINC000731562860 574123375 /nfs/dbraw/zinc/12/33/75/574123375.db2.gz INFQPFLJYTUAIY-FSKGUYTJSA-N -1 3 283.755 2.518 20 30 CFEDHM C[C@H](/N=C\c1ccccc1[O-])c1nnc2ccccn21 ZINC000745990710 574130552 /nfs/dbraw/zinc/13/05/52/574130552.db2.gz HGPIKPGIJVKRQC-OKHBPPCESA-N -1 3 266.304 2.615 20 30 CFEDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(C#N)cc1 ZINC000731869124 574132765 /nfs/dbraw/zinc/13/27/65/574132765.db2.gz MDAZPDMFODHNKM-VIFPVBQESA-N -1 3 272.329 2.816 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cs1 ZINC000731868361 574132974 /nfs/dbraw/zinc/13/29/74/574132974.db2.gz DYOBLLVHAYFRKX-UHFFFAOYSA-N -1 3 272.329 2.598 20 30 CFEDHM CCC(CC)[C@@H](O)C/N=C/c1c([O-])cccc1OC ZINC000731938101 574136704 /nfs/dbraw/zinc/13/67/04/574136704.db2.gz RAIZCMRWSFMSDQ-FSEGOYHTSA-N 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CLDASNVNHRAXDX-UHFFFAOYSA-N -1 3 292.682 2.795 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1scnc1C ZINC000729150722 574179819 /nfs/dbraw/zinc/17/98/19/574179819.db2.gz XPBARCHAQHETRL-MKMNVTDBSA-N -1 3 262.334 2.785 20 30 CFEDHM CC(C)C[C@@](C)(CNC(=O)[O-])NCc1ccc(C#N)cc1 ZINC000738805086 574185470 /nfs/dbraw/zinc/18/54/70/574185470.db2.gz JJNYGZHNICLOFU-INIZCTEOSA-N -1 3 289.379 2.720 20 30 CFEDHM Cc1cccc(CNN=Cc2ccc([O-])c(F)c2)c1 ZINC000755773976 574186777 /nfs/dbraw/zinc/18/67/77/574186777.db2.gz NBSPKGQXWMPUQQ-UHFFFAOYSA-N -1 3 258.296 2.963 20 30 CFEDHM N#CCCCN[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000739073503 574196687 /nfs/dbraw/zinc/19/66/87/574196687.db2.gz TZDOQAZEQDCWJZ-LLVKDONJSA-N -1 3 286.253 2.724 20 30 CFEDHM CC#CCC[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000756144632 574213348 /nfs/dbraw/zinc/21/33/48/574213348.db2.gz GQVXTAMOCUDWQV-UHFFFAOYSA-N -1 3 273.229 2.586 20 30 CFEDHM C#CCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000733366813 574224321 /nfs/dbraw/zinc/22/43/21/574224321.db2.gz MXPUSYFWEZLQRG-UHFFFAOYSA-N -1 3 293.366 2.931 20 30 CFEDHM C#CCSCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000740149266 574239924 /nfs/dbraw/zinc/23/99/24/574239924.db2.gz LFCDYVLJXPPIGK-UHFFFAOYSA-N -1 3 277.389 2.612 20 30 CFEDHM CCOc1ccc(/C=N/C[C@@H](OC)C(C)C)c([O-])c1 ZINC000745975722 574257667 /nfs/dbraw/zinc/25/76/67/574257667.db2.gz AFXNOELXKCAJFT-INQNZLQJSA-N -1 3 265.353 2.881 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@](C)(O)c1ccccc1 ZINC000733904210 574261240 /nfs/dbraw/zinc/26/12/40/574261240.db2.gz XIJFGROHQCPVEJ-AUUUKSDWSA-N -1 3 285.343 2.727 20 30 CFEDHM Cc1cc(C/N=C/c2cc(Cl)ccc2[O-])ncn1 ZINC000756841447 574267221 /nfs/dbraw/zinc/26/72/21/574267221.db2.gz UJXXYEOGDMPRII-GIDUJCDVSA-N -1 3 261.712 2.763 20 30 CFEDHM CN1Cc2ccccc2[C@H](/N=C/c2ccccc2[O-])C1 ZINC000756841466 574267276 /nfs/dbraw/zinc/26/72/76/574267276.db2.gz VFNIPXMMBNMZOA-VHWUNXFSSA-N -1 3 266.344 2.998 20 30 CFEDHM C#CC[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000756848217 574268168 /nfs/dbraw/zinc/26/81/68/574268168.db2.gz YIMXJRSQHOIXCN-XWAFYUISSA-N -1 3 281.311 2.987 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNC(=S)NC1CCCCC1 ZINC000755504278 574270588 /nfs/dbraw/zinc/27/05/88/574270588.db2.gz AFVWUWLBCOLORJ-UHFFFAOYSA-N -1 3 295.383 2.662 20 30 CFEDHM Cc1ccc2oc([N-]c3cnn(CC#N)c3)nc2c1 ZINC000734141540 574274425 /nfs/dbraw/zinc/27/44/25/574274425.db2.gz PQDKBIOELFAOAM-UHFFFAOYSA-N -1 3 253.265 2.600 20 30 CFEDHM C#CCOc1ccccc1CNCc1c([O-])cccc1OC ZINC000734159554 574277640 /nfs/dbraw/zinc/27/76/40/574277640.db2.gz QGIHQYWNZALUBU-UHFFFAOYSA-N -1 3 297.354 2.703 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2C2CCCCC2)c1[O-] ZINC000741465006 574291767 /nfs/dbraw/zinc/29/17/67/574291767.db2.gz RWYSXISMTNUZBU-SYYUJBFQSA-N -1 3 288.391 2.976 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@]2(C)c2ccccc2)c1[O-] ZINC000741464696 574291916 /nfs/dbraw/zinc/29/19/16/574291916.db2.gz QMOIENIIEZNHAI-YGKPVPIESA-N -1 3 296.370 2.737 20 30 CFEDHM CC[C@H](C)C[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000743042236 574303168 /nfs/dbraw/zinc/30/31/68/574303168.db2.gz IIICBYYGRRQFEC-PSVSFXRKSA-N -1 3 264.369 2.832 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=CC(C)(C)C)nc(C)n1 ZINC000735209434 574316952 /nfs/dbraw/zinc/31/69/52/574316952.db2.gz WNNHFZJYCPCERT-DGMVEKRQSA-N -1 3 257.337 2.872 20 30 CFEDHM [O-]c1ccccc1/C=N/Cc1cccc(-n2cncn2)c1 ZINC000735413967 574322673 /nfs/dbraw/zinc/32/26/73/574322673.db2.gz ARTIHJFPNAGWNQ-LICLKQGHSA-N -1 3 278.315 2.592 20 30 CFEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000735450869 574324352 /nfs/dbraw/zinc/32/43/52/574324352.db2.gz HLIVCDKPNWQKFH-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000735450869 574324354 /nfs/dbraw/zinc/32/43/54/574324354.db2.gz HLIVCDKPNWQKFH-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM C=CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccncc1 ZINC000750195676 574330361 /nfs/dbraw/zinc/33/03/61/574330361.db2.gz KXDSPQRPVXSBJI-CQSZACIVSA-N -1 3 284.315 2.540 20 30 CFEDHM COc1cccc(NN=C(C)c2ccc(O)cc2[O-])c1 ZINC000725853680 574332503 /nfs/dbraw/zinc/33/25/03/574332503.db2.gz RGVDSFVOJYEHJE-UHFFFAOYSA-N -1 3 272.304 2.943 20 30 CFEDHM [O-]c1cccc(C=Nn2cnnc2-c2ccccc2)c1 ZINC000725856095 574333010 /nfs/dbraw/zinc/33/30/10/574333010.db2.gz FZURFUYBYWEJGX-UHFFFAOYSA-N -1 3 264.288 2.533 20 30 CFEDHM COc1cc(/C=C\C(=O)c2nccn2C)cc(Cl)c1[O-] ZINC000735793103 574335838 /nfs/dbraw/zinc/33/58/38/574335838.db2.gz RDFAYJNBATVNDV-ARJAWSKDSA-N -1 3 292.722 2.684 20 30 CFEDHM N#Cc1ccc(CNN=Cc2cc(F)ccc2[O-])cc1 ZINC000755803811 574341064 /nfs/dbraw/zinc/34/10/64/574341064.db2.gz WDJRDJVFACQEQZ-UHFFFAOYSA-N -1 3 269.279 2.527 20 30 CFEDHM CC(Cc1ccsc1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736065897 574349745 /nfs/dbraw/zinc/34/97/45/574349745.db2.gz HLALGHAPHOOLAG-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM CC(Cc1ccsc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736065897 574349748 /nfs/dbraw/zinc/34/97/48/574349748.db2.gz HLALGHAPHOOLAG-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM COc1ccc(C=NNc2ccc(Cl)nc2)c([O-])c1 ZINC000743452146 574365468 /nfs/dbraw/zinc/36/54/68/574365468.db2.gz RKSHRXKYNNJQCT-UHFFFAOYSA-N -1 3 277.711 2.895 20 30 CFEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1cc(F)ccc1[O-] ZINC000751530896 574378500 /nfs/dbraw/zinc/37/85/00/574378500.db2.gz JRUXRKIXDXPYPN-QMMMGPOBSA-N -1 3 295.383 2.518 20 30 CFEDHM CCCCC[C@H](/N=C/c1c([O-])cccc1OC)C(=O)OC ZINC000751891387 574384404 /nfs/dbraw/zinc/38/44/04/574384404.db2.gz ZMEPZZOQBYSYIS-HNEYUBDGSA-N -1 3 293.363 2.942 20 30 CFEDHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1cccc(C#N)c1 ZINC000752493439 574391860 /nfs/dbraw/zinc/39/18/60/574391860.db2.gz RKVGBVRANMFBGZ-SNVBAGLBSA-N -1 3 265.272 2.676 20 30 CFEDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCC#N ZINC000752886830 574396081 /nfs/dbraw/zinc/39/60/81/574396081.db2.gz WTHIQXQSDJXOKG-XQRVVYSFSA-N -1 3 297.314 2.572 20 30 CFEDHM O=C([C@@H]1CCC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000900094962 620637212 /nfs/dbraw/zinc/63/72/12/620637212.db2.gz VYOBXIMPLNALPG-SNVBAGLBSA-N -1 3 273.254 2.979 20 30 CFEDHM CNc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095426 620637226 /nfs/dbraw/zinc/63/72/26/620637226.db2.gz CMKWXROGNVLHKV-UHFFFAOYSA-N -1 3 274.295 2.899 20 30 CFEDHM COCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096760 620637774 /nfs/dbraw/zinc/63/77/74/620637774.db2.gz OKZNMEIUIGSPAU-UHFFFAOYSA-N -1 3 278.135 2.748 20 30 CFEDHM Cc1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000821147019 598160080 /nfs/dbraw/zinc/16/00/80/598160080.db2.gz ROGKOVWPFWQPKI-LLVKDONJSA-N -1 3 286.312 2.640 20 30 CFEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820455952 599357290 /nfs/dbraw/zinc/35/72/90/599357290.db2.gz OOCHQMAHOGRIIZ-NSHDSACASA-N -1 3 290.330 2.911 20 30 CFEDHM C=CCN(CC1CCCCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000819740440 607467458 /nfs/dbraw/zinc/46/74/58/607467458.db2.gz ZHRNDDZIBSAVAA-UHFFFAOYSA-N -1 3 298.394 2.834 20 30 CFEDHM C=CCN(CC1CCCCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000819740440 607467460 /nfs/dbraw/zinc/46/74/60/607467460.db2.gz ZHRNDDZIBSAVAA-UHFFFAOYSA-N -1 3 298.394 2.834 20 30 CFEDHM C#CCN(C/C=C(\C)C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000825614713 601049793 /nfs/dbraw/zinc/04/97/93/601049793.db2.gz VXZVSBOPDNRVAH-QSOAKEGCSA-N -1 3 269.344 2.640 20 30 CFEDHM C=CCCCN(C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000825671118 601400040 /nfs/dbraw/zinc/40/00/40/601400040.db2.gz DBZYCMQQPVSYKX-UHFFFAOYSA-N -1 3 273.336 2.590 20 30 CFEDHM CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)C(=O)[O-])c([O-])c1 ZINC000829684212 601612546 /nfs/dbraw/zinc/61/25/46/601612546.db2.gz RSNKITWOLIMZLC-LICLKQGHSA-N -1 3 292.379 2.768 20 30 CFEDHM CCCCCCCC[C@@H](N)C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000900462209 620679050 /nfs/dbraw/zinc/67/90/50/620679050.db2.gz FFPWJVNFJBPOMH-MJBXVCDLSA-N -1 3 298.427 2.528 20 30 CFEDHM C=C(CNCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833370380 605086280 /nfs/dbraw/zinc/08/62/80/605086280.db2.gz MXZNQNQYTCPVLI-UHFFFAOYSA-N -1 3 257.289 2.781 20 30 CFEDHM C[C@H](NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820438640 606205280 /nfs/dbraw/zinc/20/52/80/606205280.db2.gz UABWPVDMHMRJPP-JTQLQIEISA-N -1 3 298.375 2.613 20 30 CFEDHM C[C@H](NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820438640 606205281 /nfs/dbraw/zinc/20/52/81/606205281.db2.gz UABWPVDMHMRJPP-JTQLQIEISA-N -1 3 298.375 2.613 20 30 CFEDHM C=CCCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734863 606394456 /nfs/dbraw/zinc/39/44/56/606394456.db2.gz VTJCSNRRKMAIBS-NSHDSACASA-N -1 3 286.335 2.827 20 30 CFEDHM C=CCCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734863 606394458 /nfs/dbraw/zinc/39/44/58/606394458.db2.gz VTJCSNRRKMAIBS-NSHDSACASA-N -1 3 286.335 2.827 20 30 CFEDHM C=C(C)COCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819722944 606791278 /nfs/dbraw/zinc/79/12/78/606791278.db2.gz RVYYHWJQJOLSDD-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=C(C)COCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819722944 606791276 /nfs/dbraw/zinc/79/12/76/606791276.db2.gz RVYYHWJQJOLSDD-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C[C@H](C#N)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819854043 606850903 /nfs/dbraw/zinc/85/09/03/606850903.db2.gz AIJLYIQLNKPXHH-ZCFIWIBFSA-N -1 3 265.729 2.524 20 30 CFEDHM C[C@H](C#N)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819854043 606850904 /nfs/dbraw/zinc/85/09/04/606850904.db2.gz AIJLYIQLNKPXHH-ZCFIWIBFSA-N -1 3 265.729 2.524 20 30 CFEDHM N#CCCCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822806735 606987798 /nfs/dbraw/zinc/98/77/98/606987798.db2.gz SITVYKZBJAPYJH-UHFFFAOYSA-N -1 3 291.355 2.933 20 30 CFEDHM N#CCCCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822806735 606987799 /nfs/dbraw/zinc/98/77/99/606987799.db2.gz SITVYKZBJAPYJH-UHFFFAOYSA-N -1 3 291.355 2.933 20 30 CFEDHM Cc1cc(C#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826257172 608152377 /nfs/dbraw/zinc/15/23/77/608152377.db2.gz QSFQPSWRNVZFGA-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1cc(C#N)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000826257172 608152379 /nfs/dbraw/zinc/15/23/79/608152379.db2.gz QSFQPSWRNVZFGA-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM C=C(CC)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823877717 608291231 /nfs/dbraw/zinc/29/12/31/608291231.db2.gz DILHJIMZVJDQPG-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM C=C(CC)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823877717 608291232 /nfs/dbraw/zinc/29/12/32/608291232.db2.gz DILHJIMZVJDQPG-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM CCCCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825258376 608538534 /nfs/dbraw/zinc/53/85/34/608538534.db2.gz BWNKJNMJIQVLAK-UHFFFAOYSA-N -1 3 293.762 2.893 20 30 CFEDHM CCCCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825258376 608538535 /nfs/dbraw/zinc/53/85/35/608538535.db2.gz BWNKJNMJIQVLAK-UHFFFAOYSA-N -1 3 293.762 2.893 20 30 CFEDHM C=C(C)CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823878165 609318234 /nfs/dbraw/zinc/31/82/34/609318234.db2.gz RXBYQCKAQZDMEP-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM C=C(C)CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823878165 609318235 /nfs/dbraw/zinc/31/82/35/609318235.db2.gz RXBYQCKAQZDMEP-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM CCCCN([O-])C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000900681798 620701669 /nfs/dbraw/zinc/70/16/69/620701669.db2.gz HOSFSUWTZNMZBR-UHFFFAOYSA-N -1 3 297.252 2.776 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(F)cc1Cl ZINC000846538987 618109243 /nfs/dbraw/zinc/10/92/43/618109243.db2.gz WIEBYWLPIOBCDS-UHFFFAOYSA-N -1 3 287.718 2.872 20 30 CFEDHM C=CC[C@@H]1CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000890548735 617638676 /nfs/dbraw/zinc/63/86/76/617638676.db2.gz YAYYPCZBOGCBIF-LLVKDONJSA-N -1 3 296.164 2.945 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cc(C#N)cs2)n1 ZINC000933771789 617774536 /nfs/dbraw/zinc/77/45/36/617774536.db2.gz IVVKMERMKURWII-SNVBAGLBSA-N -1 3 288.376 2.617 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cnn3ccccc23)ccc1[O-] ZINC000255046445 617786594 /nfs/dbraw/zinc/78/65/94/617786594.db2.gz HLIDDANCTCNBNM-SREVYHEPSA-N -1 3 294.310 2.945 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=Nc1cccc(-n2cnnn2)c1 ZINC000255107748 617961712 /nfs/dbraw/zinc/96/17/12/617961712.db2.gz AKLACHNRHOTGJH-UHFFFAOYSA-N -1 3 299.721 2.772 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000846542948 618110307 /nfs/dbraw/zinc/11/03/07/618110307.db2.gz JLVBFBLJIDMYBD-JTQLQIEISA-N -1 3 253.729 2.895 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000846551357 618113936 /nfs/dbraw/zinc/11/39/36/618113936.db2.gz SAOSHWPBXDIIGX-WDEREUQCSA-N -1 3 251.301 2.942 20 30 CFEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000901310615 620782479 /nfs/dbraw/zinc/78/24/79/620782479.db2.gz GQIXFAUTJVHFJT-DDFAGTSDSA-N -1 3 280.343 2.801 20 30 CFEDHM Cc1cc([O-])c(C=Nn2nnc3c2CCCC3)cc1Cl ZINC000901329573 620786157 /nfs/dbraw/zinc/78/61/57/620786157.db2.gz XIJMZJLYAFDCFN-UHFFFAOYSA-N -1 3 290.754 2.707 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCCOC1 ZINC000255363187 618213573 /nfs/dbraw/zinc/21/35/73/618213573.db2.gz IZYWEVAPUCNOTQ-SOOGHKCXSA-N -1 3 253.729 2.891 20 30 CFEDHM CC[C@@H](CC#N)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000188045396 618291644 /nfs/dbraw/zinc/29/16/44/618291644.db2.gz QFMYNPAUYKMJPS-JTQLQIEISA-N -1 3 273.292 2.827 20 30 CFEDHM CC[C@@H](CC#N)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000188045396 618291650 /nfs/dbraw/zinc/29/16/50/618291650.db2.gz QFMYNPAUYKMJPS-JTQLQIEISA-N -1 3 273.292 2.827 20 30 CFEDHM O=C([C@H]1CCCOC1)N([O-])Cc1cccc2ccccc21 ZINC000901370292 620796769 /nfs/dbraw/zinc/79/67/69/620796769.db2.gz VYLQYLVNDFIFPD-HNNXBMFYSA-N -1 3 285.343 2.984 20 30 CFEDHM C[C@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CO1 ZINC000901371747 620797065 /nfs/dbraw/zinc/79/70/65/620797065.db2.gz XYTMKICFRXODLT-WFASDCNBSA-N -1 3 285.343 2.983 20 30 CFEDHM CO[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F ZINC000901372221 620797477 /nfs/dbraw/zinc/79/74/77/620797477.db2.gz ABOKDNRTGLWTPP-JTQLQIEISA-N -1 3 295.232 2.511 20 30 CFEDHM C#C[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895184999 618448136 /nfs/dbraw/zinc/44/81/36/618448136.db2.gz YXSQWTRRSAZODM-SNVBAGLBSA-N -1 3 251.276 2.516 20 30 CFEDHM N#CCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085519 618738798 /nfs/dbraw/zinc/73/87/98/618738798.db2.gz ILDCYNIPEWYFHJ-UHFFFAOYSA-N -1 3 279.246 2.961 20 30 CFEDHM N#C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000896506774 619752956 /nfs/dbraw/zinc/75/29/56/619752956.db2.gz YPGWFCLWIXJTMK-SNVBAGLBSA-N -1 3 250.729 2.781 20 30 CFEDHM C#CCN(C(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000928625891 619809161 /nfs/dbraw/zinc/80/91/61/619809161.db2.gz FLNIMVUHKNMLPI-UHFFFAOYSA-N -1 3 277.339 2.724 20 30 CFEDHM CO[C@@H]1COCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000840706834 619859431 /nfs/dbraw/zinc/85/94/31/619859431.db2.gz LBENZEDBQQMDBR-DNXKIUMKSA-N -1 3 283.755 2.516 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@H]1CCc2sccc2C1=O ZINC000898939788 620508576 /nfs/dbraw/zinc/50/85/76/620508576.db2.gz WTZQAEDSPBDWIX-SNVBAGLBSA-N -1 3 279.361 2.507 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCOC1CCOCC1 ZINC000899227632 620532557 /nfs/dbraw/zinc/53/25/57/620532557.db2.gz OUXSSOPQRJXWTL-MHWRWJLKSA-N -1 3 283.755 2.660 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)C[C@@H](C)O3)c1[O-] ZINC000899227412 620532646 /nfs/dbraw/zinc/53/26/46/620532646.db2.gz KVQYVILCQWWGPF-SNVBAGLBSA-N -1 3 298.342 2.662 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCOC12CCOCC2 ZINC000899231720 620533658 /nfs/dbraw/zinc/53/36/58/620533658.db2.gz GJOJEKHSFRMJQW-AYCSXLNKSA-N -1 3 295.766 2.803 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1noc2c1COCC2 ZINC000899231567 620533791 /nfs/dbraw/zinc/53/37/91/620533791.db2.gz RPEHLJKWZBEWME-OMCISZLKSA-N -1 3 292.722 2.725 20 30 CFEDHM CCn1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1 ZINC000899345282 620547288 /nfs/dbraw/zinc/54/72/88/620547288.db2.gz JNJMJNNIYANVPS-QMEHYBMDSA-N -1 3 287.294 2.526 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2c3c(nn2C)CCC3)ccc1[O-] ZINC000899353462 620548452 /nfs/dbraw/zinc/54/84/52/620548452.db2.gz OFAWPKCJRNBELV-CLFYSBASSA-N -1 3 282.343 2.819 20 30 CFEDHM C#CCCCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000901585340 620869726 /nfs/dbraw/zinc/86/97/26/620869726.db2.gz KBRUGINJPBTWOW-UHFFFAOYSA-N -1 3 290.392 2.745 20 30 CFEDHM C=CCCSCCNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902390686 621062178 /nfs/dbraw/zinc/06/21/78/621062178.db2.gz LHMMXZXWQPSYIH-SREVYHEPSA-N -1 3 281.377 2.776 20 30 CFEDHM C=C(C)CN(C)Cc1cn(CC(=O)[O-])nc1-c1ccccc1 ZINC000902491456 621102864 /nfs/dbraw/zinc/10/28/64/621102864.db2.gz YDSFMTHRKLYDQI-UHFFFAOYSA-N -1 3 299.374 2.643 20 30 CFEDHM CCCCN([O-])C(=O)C12CC(C(F)(F)F)(C1)C2 ZINC000904213296 621554420 /nfs/dbraw/zinc/55/44/20/621554420.db2.gz NVDRABBKFZYPPC-UHFFFAOYSA-N -1 3 251.248 2.737 20 30 CFEDHM CC[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174344 621542098 /nfs/dbraw/zinc/54/20/98/621542098.db2.gz ZPLGBLPINPAUBH-GXTWGEPZSA-N -1 3 281.327 2.749 20 30 CFEDHM CC[C@@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174349 621542114 /nfs/dbraw/zinc/54/21/14/621542114.db2.gz ZPLGBLPINPAUBH-TZMCWYRMSA-N -1 3 281.327 2.749 20 30 CFEDHM Cc1nccn1CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175866 621542741 /nfs/dbraw/zinc/54/27/41/621542741.db2.gz YCDQXNRUZPYYAP-UHFFFAOYSA-N -1 3 291.326 2.529 20 30 CFEDHM CO[C@H]1CCCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178105 621543723 /nfs/dbraw/zinc/54/37/23/621543723.db2.gz ZBJQLWCMXVJTHR-KGLIPLIRSA-N -1 3 281.327 2.749 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cccn(C2CC2)c1=O ZINC000904207177 621543975 /nfs/dbraw/zinc/54/39/75/621543975.db2.gz UARBAWNXICCWIQ-UHFFFAOYSA-N -1 3 278.352 2.595 20 30 CFEDHM CCCCCCN([O-])C(=O)C1(c2ccccn2)CC1 ZINC000904206861 621544150 /nfs/dbraw/zinc/54/41/50/621544150.db2.gz LMUDJVUVMRUCDV-UHFFFAOYSA-N -1 3 262.353 2.911 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H](OC)C(F)(F)F ZINC000904207191 621544196 /nfs/dbraw/zinc/54/41/96/621544196.db2.gz UQVUEOJDWCGCGP-VIFPVBQESA-N -1 3 271.279 2.752 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000904208446 621544597 /nfs/dbraw/zinc/54/45/97/621544597.db2.gz ZSNQEINGSGFQHE-JTQLQIEISA-N -1 3 255.289 2.611 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000904210071 621545073 /nfs/dbraw/zinc/54/50/73/621545073.db2.gz FRMNYPJHWUXGAM-OAHLLOKOSA-N -1 3 287.363 2.545 20 30 CFEDHM COC[C@@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904188525 621545495 /nfs/dbraw/zinc/54/54/95/621545495.db2.gz DFRFYQFVQGRWCX-JTQLQIEISA-N -1 3 271.744 2.730 20 30 CFEDHM N#CC1(C(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC000904188663 621545504 /nfs/dbraw/zinc/54/55/04/621545504.db2.gz ITLUDGCZMPEEGS-UHFFFAOYSA-N -1 3 264.712 2.752 20 30 CFEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000904192185 621546341 /nfs/dbraw/zinc/54/63/41/621546341.db2.gz CUWUTOZTGZTSMG-ZWNOBZJWSA-N -1 3 283.755 2.873 20 30 CFEDHM O=C(c1cnc2n1CCC2)N([O-])Cc1ccccc1Cl ZINC000904192873 621546800 /nfs/dbraw/zinc/54/68/00/621546800.db2.gz ZDPYTFVRRVXWRG-UHFFFAOYSA-N -1 3 291.738 2.514 20 30 CFEDHM COC[C@H](C)[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193086 621546973 /nfs/dbraw/zinc/54/69/73/621546973.db2.gz KROACDKBXIYHFY-QWRGUYRKSA-N -1 3 285.771 2.976 20 30 CFEDHM O=C([C@H]1CC12CC2)N([O-])Cc1ccccc1Cl ZINC000904193884 621547319 /nfs/dbraw/zinc/54/73/19/621547319.db2.gz XZRPFOHWIXPQPP-SNVBAGLBSA-N -1 3 251.713 2.858 20 30 CFEDHM N#CC1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC000904196636 621547643 /nfs/dbraw/zinc/54/76/43/621547643.db2.gz ASQOIMSOUAKGFE-UHFFFAOYSA-N -1 3 272.348 2.921 20 30 CFEDHM COC(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904196731 621547648 /nfs/dbraw/zinc/54/76/48/621547648.db2.gz DVANEUNRNJAWNZ-UHFFFAOYSA-N -1 3 265.353 2.652 20 30 CFEDHM O=C([C@H]1CCSC1)N([O-])CCCCc1ccccc1 ZINC000904197113 621548168 /nfs/dbraw/zinc/54/81/68/621548168.db2.gz RUQQCWWRWSIQHM-AWEZNQCLSA-N -1 3 279.405 2.980 20 30 CFEDHM C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CCOC1 ZINC000904198098 621548699 /nfs/dbraw/zinc/54/86/99/621548699.db2.gz TUTFMQPEERWYAL-INIZCTEOSA-N -1 3 277.364 2.654 20 30 CFEDHM CCCCCCN(O)C(=O)c1cccc(O)c1[O-] ZINC000904205008 621550443 /nfs/dbraw/zinc/55/04/43/621550443.db2.gz XPZHGTMFGCAVFJ-UHFFFAOYSA-N -1 3 253.298 2.510 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccc([S@](C)=O)cc1 ZINC000904204769 621550471 /nfs/dbraw/zinc/55/04/71/621550471.db2.gz UUFLOUKBISGMRI-FQEVSTJZSA-N -1 3 297.420 2.765 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccc([S@@](C)=O)cc1 ZINC000904204770 621550507 /nfs/dbraw/zinc/55/05/07/621550507.db2.gz UUFLOUKBISGMRI-HXUWFJFHSA-N -1 3 297.420 2.765 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](OC)c1ccc(O)cc1 ZINC000904204225 621550658 /nfs/dbraw/zinc/55/06/58/621550658.db2.gz HRMULTGYRUHGDK-CQSZACIVSA-N -1 3 281.352 2.878 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000904205871 621550947 /nfs/dbraw/zinc/55/09/47/621550947.db2.gz WKIMIPSTPLQAHS-UHFFFAOYSA-N -1 3 278.352 2.688 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000904212201 621554020 /nfs/dbraw/zinc/55/40/20/621554020.db2.gz AXKHYHCMOXDGBA-WDEREUQCSA-N -1 3 288.388 2.554 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000904213731 621554331 /nfs/dbraw/zinc/55/43/31/621554331.db2.gz YTSLUXCKEVJOCK-BDAKNGLRSA-N -1 3 253.264 2.983 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1CCCN1c1ccccc1 ZINC000904213701 621554610 /nfs/dbraw/zinc/55/46/10/621554610.db2.gz XVOGZZJQIYTNCZ-CQSZACIVSA-N -1 3 262.353 2.673 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000904214842 621555058 /nfs/dbraw/zinc/55/50/58/621555058.db2.gz PESFHGYRXIDCTB-ZDUSSCGKSA-N -1 3 262.353 2.531 20 30 CFEDHM CC(=NN[C@H](C)CC#N)c1ccc([O-])cc1Cl ZINC000905456351 621776236 /nfs/dbraw/zinc/77/62/36/621776236.db2.gz HDVWHFCPLOSGEC-MRVPVSSYSA-N -1 3 251.717 2.661 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C)c1 ZINC000906478915 621993941 /nfs/dbraw/zinc/99/39/41/621993941.db2.gz IAGBSAKUBWCERA-CQSZACIVSA-N -1 3 296.317 2.841 20 30 CFEDHM N#CC1(CCCCOC(=O)c2cncc([O-])c2)CCC1 ZINC000909001972 622297298 /nfs/dbraw/zinc/29/72/98/622297298.db2.gz BGUJUNHXKMBPSI-UHFFFAOYSA-N -1 3 274.320 2.808 20 30 CFEDHM CC1(C#N)CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000833551590 625569617 /nfs/dbraw/zinc/56/96/17/625569617.db2.gz QJDFROOOMRRPCB-CYBMUJFWSA-N -1 3 276.311 2.577 20 30 CFEDHM C=C(C)[C@H](CO)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823873580 623411700 /nfs/dbraw/zinc/41/17/00/623411700.db2.gz NPBNKMWGMTXDLF-NSHDSACASA-N -1 3 296.783 2.549 20 30 CFEDHM C=C(C)[C@H](CO)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823873580 623411701 /nfs/dbraw/zinc/41/17/01/623411701.db2.gz NPBNKMWGMTXDLF-NSHDSACASA-N -1 3 296.783 2.549 20 30 CFEDHM C=CC[C@H](C)[C@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823888792 623414686 /nfs/dbraw/zinc/41/46/86/623414686.db2.gz WUMORTPUYIPMNL-QWRGUYRKSA-N -1 3 257.341 2.879 20 30 CFEDHM C=CC[C@H](C)[C@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823888792 623414689 /nfs/dbraw/zinc/41/46/89/623414689.db2.gz WUMORTPUYIPMNL-QWRGUYRKSA-N -1 3 257.341 2.879 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823894221 623415223 /nfs/dbraw/zinc/41/52/23/623415223.db2.gz KIZAVHWKUQWTFZ-LBPRGKRZSA-N -1 3 299.378 2.650 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823894221 623415228 /nfs/dbraw/zinc/41/52/28/623415228.db2.gz KIZAVHWKUQWTFZ-LBPRGKRZSA-N -1 3 299.378 2.650 20 30 CFEDHM O=C([N-]O)c1c(F)ccc(SCC2CC2)c1F ZINC000824214848 623469932 /nfs/dbraw/zinc/46/99/32/623469932.db2.gz HSCFYANHLMBEPB-UHFFFAOYSA-N -1 3 259.277 2.586 20 30 CFEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C ZINC000824984240 623599531 /nfs/dbraw/zinc/59/95/31/623599531.db2.gz VEMJPRYZDWNWHN-CQSZACIVSA-N -1 3 296.317 2.841 20 30 CFEDHM N#CC[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000826861599 623895754 /nfs/dbraw/zinc/89/57/54/623895754.db2.gz GYXZLLZORPQWDE-SNVBAGLBSA-N -1 3 266.291 2.796 20 30 CFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(Cl)s2)c1[O-] ZINC000914558453 623897823 /nfs/dbraw/zinc/89/78/23/623897823.db2.gz VXOGXGUVTHRNCV-GIDUJCDVSA-N -1 3 296.779 2.922 20 30 CFEDHM C[C@H]1CC(=NOC[C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000788035624 623981656 /nfs/dbraw/zinc/98/16/56/623981656.db2.gz AAOCFKHSNYUQOC-UWVGGRQHSA-N -1 3 279.311 2.796 20 30 CFEDHM CC[C@@H]1CCCC[C@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000915112876 623984608 /nfs/dbraw/zinc/98/46/08/623984608.db2.gz JFSIAMIDGXAZNB-XNMZXNRUSA-N -1 3 276.380 2.976 20 30 CFEDHM C=CCO[N-]C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000837048486 624081841 /nfs/dbraw/zinc/08/18/41/624081841.db2.gz TXLVIKWAIBDCSC-VIFPVBQESA-N -1 3 255.264 2.692 20 30 CFEDHM CC(C)C1N=NC(=S)N1N=Cc1cc(Cl)ccc1[O-] ZINC000916310672 624238424 /nfs/dbraw/zinc/23/84/24/624238424.db2.gz CMSBPHHVMPPKBX-UHFFFAOYSA-N -1 3 296.783 2.931 20 30 CFEDHM C=CCn1c(SCCCC(C)(F)F)n[n-]c1=O ZINC000917211261 624323347 /nfs/dbraw/zinc/32/33/47/624323347.db2.gz YRQCUNWPQFJJIP-UHFFFAOYSA-N -1 3 263.313 2.697 20 30 CFEDHM Cc1nc(C#N)c([N-]N=Cc2cc3ccccc3[nH]c2=O)o1 ZINC000917555912 624359476 /nfs/dbraw/zinc/35/94/76/624359476.db2.gz XHELLFXZFUMTRM-UHFFFAOYSA-N -1 3 293.286 2.555 20 30 CFEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000829735314 624517851 /nfs/dbraw/zinc/51/78/51/624517851.db2.gz AHEREVLNPFDHOV-LBPRGKRZSA-N -1 3 296.317 2.841 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)cc2F)c1O ZINC000255712238 626222078 /nfs/dbraw/zinc/22/20/78/626222078.db2.gz YETPPPFPUUILKY-UHFFFAOYSA-N -1 3 265.215 2.832 20 30 CFEDHM N#CC[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000922645871 626331038 /nfs/dbraw/zinc/33/10/38/626331038.db2.gz AWWDNWMIBYHNCE-SNVBAGLBSA-N -1 3 278.661 2.980 20 30 CFEDHM Cc1cc(C=NN=c2cc[n-]n2C)c(OC(F)F)cc1C ZINC000774415738 626481637 /nfs/dbraw/zinc/48/16/37/626481637.db2.gz SBTGIWDGNNMARJ-UHFFFAOYSA-N -1 3 294.305 2.506 20 30 CFEDHM C#Cc1cccc(N(C)C(=O)c2cc(OC)ccc2[O-])c1 ZINC000103031956 626489767 /nfs/dbraw/zinc/48/97/67/626489767.db2.gz VDGCVSSBHFQLHH-UHFFFAOYSA-N -1 3 281.311 2.659 20 30 CFEDHM Cc1cc(CN=Nc2nc3ccccc3c(=O)[n-]2)c(C)[nH]1 ZINC000757583944 626555919 /nfs/dbraw/zinc/55/59/19/626555919.db2.gz PBNJMNQPJFDBDX-UHFFFAOYSA-N -1 3 281.319 2.726 20 30 CFEDHM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000759720660 626687244 /nfs/dbraw/zinc/68/72/44/626687244.db2.gz QZWZMFHEBADAQM-OAHLLOKOSA-N -1 3 299.374 2.609 20 30 CFEDHM CC(=NNCc1ccc(C#N)cc1)c1ccc([O-])c(F)c1 ZINC000769817049 627477841 /nfs/dbraw/zinc/47/78/41/627477841.db2.gz ZLRSVZURAFRCRO-UHFFFAOYSA-N -1 3 283.306 2.917 20 30 CFEDHM COc1cc(C=NNCC(F)(F)F)cc(Cl)c1[O-] ZINC000769821098 627478449 /nfs/dbraw/zinc/47/84/49/627478449.db2.gz HHHUXKBLEWVZRF-UHFFFAOYSA-N -1 3 282.649 2.540 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccn(C)n1 ZINC000773148945 627788692 /nfs/dbraw/zinc/78/86/92/627788692.db2.gz FVQISNXNGMKBLG-RYGSOJJJSA-N -1 3 272.279 2.648 20 30 CFEDHM CCCc1cccc(C=[NH+][N-]c2ncnc3[n-]cnc32)c1 ZINC000774375874 627919900 /nfs/dbraw/zinc/91/99/00/627919900.db2.gz VBDAVMKXWDLSCQ-UHFFFAOYSA-N -1 3 280.335 2.751 20 30 CFEDHM CC(=NN=c1cc[n-]n1C)c1sc(C(C)C)nc1C ZINC000774410666 627921830 /nfs/dbraw/zinc/92/18/30/627921830.db2.gz LZNMDXDXDLQDHU-UHFFFAOYSA-N -1 3 277.397 2.566 20 30 CFEDHM CC(=NN=c1cc[n-]n1C)C12CC3CC(CC(C3)C1)C2 ZINC000774409909 627922009 /nfs/dbraw/zinc/92/20/09/627922009.db2.gz IWMLQJJBASMXJE-UHFFFAOYSA-N -1 3 272.396 2.846 20 30 CFEDHM CCOCCON=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000774417742 627923081 /nfs/dbraw/zinc/92/30/81/627923081.db2.gz QYZGFFCNBABKBN-UHFFFAOYSA-N -1 3 287.743 2.831 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NOC1CCOCC1 ZINC000774444790 627926720 /nfs/dbraw/zinc/92/67/20/627926720.db2.gz OTZKQEUIMJGSDB-UHFFFAOYSA-N -1 3 255.701 2.575 20 30 CFEDHM C#C[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000775571739 628040032 /nfs/dbraw/zinc/04/00/32/628040032.db2.gz KTBKVGCHWILMSZ-QCZZGDTMSA-N -1 3 281.302 2.502 20 30 CFEDHM CN(C)c1nccc(C/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000775633197 628047952 /nfs/dbraw/zinc/04/79/52/628047952.db2.gz FRCGGNNPUVUJOW-LZYBPNLTSA-N -1 3 290.754 2.521 20 30 CFEDHM COc1cccc(NN=Cc2c([O-])cccc2Cl)n1 ZINC000779819426 628411275 /nfs/dbraw/zinc/41/12/75/628411275.db2.gz QBNBCYCYQHMPBP-UHFFFAOYSA-N -1 3 277.711 2.895 20 30 CFEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000780251309 628445161 /nfs/dbraw/zinc/44/51/61/628445161.db2.gz UCKMXWJFHAROQC-LBPRGKRZSA-N -1 3 280.343 2.803 20 30 CFEDHM CC1(C)C[C@H](NN=Cc2c([O-])cccc2Cl)CCO1 ZINC000780252095 628445655 /nfs/dbraw/zinc/44/56/55/628445655.db2.gz YXERJEKRWLZXCR-SNVBAGLBSA-N -1 3 282.771 2.927 20 30 CFEDHM COc1ccc(NN=C(C)c2ccc([O-])c(F)c2)nc1 ZINC000780275352 628449650 /nfs/dbraw/zinc/44/96/50/628449650.db2.gz UUZSDZTXMQJSQB-UHFFFAOYSA-N -1 3 275.283 2.771 20 30 CFEDHM Cc1ccc(C(=O)Nc2cccc(OCC#N)c2)c([O-])c1O ZINC000780894726 628503007 /nfs/dbraw/zinc/50/30/07/628503007.db2.gz KMNHHXQSHVZJJW-UHFFFAOYSA-N -1 3 298.298 2.561 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C2=CCCCC2)nc(C)n1 ZINC000783068873 628672423 /nfs/dbraw/zinc/67/24/23/628672423.db2.gz OHIWIGFQZMFREE-ZDUSSCGKSA-N -1 3 255.321 2.770 20 30 CFEDHM N#Cc1ccc(COC(=O)c2cncc([O-])c2)c(Cl)c1 ZINC000784229580 628793327 /nfs/dbraw/zinc/79/33/27/628793327.db2.gz ZDRUPWXULZHMGG-UHFFFAOYSA-N -1 3 288.690 2.669 20 30 CFEDHM COc1ccc(NC(=O)/C=C/c2ccccc2C#N)c([O-])c1 ZINC000785427841 628882008 /nfs/dbraw/zinc/88/20/08/628882008.db2.gz VWKMAEKHWLSTHQ-RMKNXTFCSA-N -1 3 294.310 2.924 20 30 CFEDHM N#CCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846528 629039627 /nfs/dbraw/zinc/03/96/27/629039627.db2.gz UKZIXMCSSWAFQL-UHFFFAOYSA-N -1 3 265.284 2.701 20 30 CFEDHM CCn1cc(C/N=C/c2cc(Cl)ccc2[O-])cn1 ZINC000794675668 629673738 /nfs/dbraw/zinc/67/37/38/629673738.db2.gz DZYSMZLZRVKQOH-OVCLIPMQSA-N -1 3 263.728 2.881 20 30 CFEDHM CC(C)[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1nncn1C ZINC000794682516 629674778 /nfs/dbraw/zinc/67/47/78/629674778.db2.gz WZGBBGLYNXXJRB-YSTIZTGUSA-N -1 3 292.770 2.990 20 30 CFEDHM Cc1cccnc1[C@H]1CCCC(=NN=c2cc[n-]n2C)C1 ZINC000799113471 630276247 /nfs/dbraw/zinc/27/62/47/630276247.db2.gz PCTAQXZYAFIULL-ZDUSSCGKSA-N -1 3 283.379 2.671 20 30 CFEDHM C[C@@]12C[C@@H]1CCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000799876972 630350541 /nfs/dbraw/zinc/35/05/41/630350541.db2.gz HVKNEXDBBFSHJL-DZGCQCFKSA-N -1 3 292.404 2.672 20 30 CFEDHM C=CCO[N-]C(=O)CCC(=O)c1cc(C)ccc1C ZINC000837044282 630943522 /nfs/dbraw/zinc/94/35/22/630943522.db2.gz LOQVFNUGFHABKA-UHFFFAOYSA-N -1 3 261.321 2.500 20 30 CFEDHM C=CCC[C@H](CO)NC(=O)c1cc2sccc2c([O-])c1 ZINC000837081247 630950897 /nfs/dbraw/zinc/95/08/97/630950897.db2.gz GUKPYPGZZPYSAK-LLVKDONJSA-N -1 3 291.372 2.664 20 30 CFEDHM Cc1cc([O-])c(C=NN[C@H]2CCSC2)c(Cl)c1 ZINC000841637529 631440841 /nfs/dbraw/zinc/44/08/41/631440841.db2.gz ISSBVJDVANOZSN-VIFPVBQESA-N -1 3 270.785 2.783 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1OC ZINC000841812835 631474711 /nfs/dbraw/zinc/47/47/11/631474711.db2.gz ZITZLMVAZTURSX-GFCCVEGCSA-N -1 3 283.755 2.858 20 30 CFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccnc1 ZINC000811184897 631531578 /nfs/dbraw/zinc/53/15/78/631531578.db2.gz DYVMWOZKCZXPKS-SNVBAGLBSA-N -1 3 268.272 2.577 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(F)c(C#N)c2)c1 ZINC000811183924 631531777 /nfs/dbraw/zinc/53/17/77/631531777.db2.gz BDWRNRVSBOCDSV-UHFFFAOYSA-N -1 3 296.257 2.632 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCCCC2CCOCC2)c1 ZINC000811186082 631532872 /nfs/dbraw/zinc/53/28/72/631532872.db2.gz BOHWAYNBZYLWNO-UHFFFAOYSA-N -1 3 289.331 2.627 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)cn2)c1 ZINC000811187918 631532892 /nfs/dbraw/zinc/53/28/92/631532892.db2.gz PPWLVDLSNAGAMN-UHFFFAOYSA-N -1 3 288.690 2.669 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2CC[C@@H]3CNc4cccc2c43)n1 ZINC000814681943 632107801 /nfs/dbraw/zinc/10/78/01/632107801.db2.gz BUEMUICXPQKNBA-SNVBAGLBSA-N -1 3 295.346 2.610 20 30 CFEDHM CCc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000844270348 632149679 /nfs/dbraw/zinc/14/96/79/632149679.db2.gz HATSCPACWBCSGU-ZDLGFXPLSA-N -1 3 284.359 2.769 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2CC(C)(C)C)c1[O-] ZINC000844272854 632150556 /nfs/dbraw/zinc/15/05/56/632150556.db2.gz YULSQZQRMRPPCC-LQBYKTNCSA-N -1 3 276.380 2.832 20 30 CFEDHM CO[C@H]1C[C@H](c2ccccc2)CCC1=NN=c1cc[n-]n1C ZINC000814907617 632158963 /nfs/dbraw/zinc/15/89/63/632158963.db2.gz QNUFYFIHBRCJMQ-ZBFHGGJFSA-N -1 3 298.390 2.593 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCCC2 ZINC000844486733 632228935 /nfs/dbraw/zinc/22/89/35/632228935.db2.gz PEAMYXPDFWYHPL-MRVPVSSYSA-N -1 3 267.354 2.650 20 30 CFEDHM [O-]c1ccc(C=NOCCC(F)(F)F)c(F)c1 ZINC000844591450 632257428 /nfs/dbraw/zinc/25/74/28/632257428.db2.gz KNEUFEKEAOBDDP-UHFFFAOYSA-N -1 3 251.179 2.834 20 30 CFEDHM C=CCCOCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845836842 632577295 /nfs/dbraw/zinc/57/72/95/632577295.db2.gz CDYSGVILDDJLQL-HNNXBMFYSA-N -1 3 297.354 2.589 20 30 CFEDHM C=CCCOCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845836843 632577711 /nfs/dbraw/zinc/57/77/11/632577711.db2.gz CDYSGVILDDJLQL-OAHLLOKOSA-N -1 3 297.354 2.589 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1cc(C)ccc1OC(F)F ZINC000846263632 632676968 /nfs/dbraw/zinc/67/69/68/632676968.db2.gz PEEPEFNQNGYBGB-UHFFFAOYSA-N -1 3 285.290 2.669 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1cccc(Br)c1C ZINC000846534865 632723988 /nfs/dbraw/zinc/72/39/88/632723988.db2.gz GGAKMQWQKHMTFP-UHFFFAOYSA-N -1 3 298.180 2.924 20 30 CFEDHM C=C(C)CO[N-]C(=O)C1(CCOCC)CCCC1 ZINC000846536313 632725127 /nfs/dbraw/zinc/72/51/27/632725127.db2.gz GOQKSGMZIZBHFN-UHFFFAOYSA-N -1 3 255.358 2.597 20 30 CFEDHM C=C(C)CONC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000846535667 632725508 /nfs/dbraw/zinc/72/55/08/632725508.db2.gz JIQGILDFFWBPSQ-UHFFFAOYSA-N -1 3 261.321 2.509 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(C)cc1C ZINC000846537975 632727615 /nfs/dbraw/zinc/72/76/15/632727615.db2.gz OSONILGOTKKFTF-UHFFFAOYSA-N -1 3 263.337 2.696 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000846539942 632728403 /nfs/dbraw/zinc/72/84/03/632728403.db2.gz JPXGCPWKJYIDMZ-UHFFFAOYSA-N -1 3 275.348 2.890 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000846542660 632731273 /nfs/dbraw/zinc/73/12/73/632731273.db2.gz FTWVTIBMNHRHJD-GFCCVEGCSA-N -1 3 293.411 2.711 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000846543692 632731653 /nfs/dbraw/zinc/73/16/53/632731653.db2.gz BCAZPEKUEREYQA-RYUDHWBXSA-N -1 3 261.321 2.565 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccccc1C ZINC000846545524 632734430 /nfs/dbraw/zinc/73/44/30/632734430.db2.gz XDCDMMMHFPNDMJ-ZDUSSCGKSA-N -1 3 263.337 2.776 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000846545502 632734536 /nfs/dbraw/zinc/73/45/36/632734536.db2.gz WQDIWBRGSQMQRS-GFCCVEGCSA-N -1 3 286.331 2.897 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000846546980 632735452 /nfs/dbraw/zinc/73/54/52/632735452.db2.gz MSNWSZYTKAQLKZ-WBMJQRKESA-N -1 3 259.349 2.804 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccccc1F ZINC000846547938 632736470 /nfs/dbraw/zinc/73/64/70/632736470.db2.gz BUIJFCJJIJJTNX-NSHDSACASA-N -1 3 267.300 2.607 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C1(CCOCC)CCCC1 ZINC000846550491 632738289 /nfs/dbraw/zinc/73/82/89/632738289.db2.gz XNNUBWFCXIJAMV-GFCCVEGCSA-N -1 3 255.358 2.596 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCOCc1ccccc1 ZINC000846550559 632738318 /nfs/dbraw/zinc/73/83/18/632738318.db2.gz NRDRMTMPVICJSL-CYBMUJFWSA-N -1 3 263.337 2.606 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccc(Cl)cc1 ZINC000846550288 632738804 /nfs/dbraw/zinc/73/88/04/632738804.db2.gz OBIXZGFFYPHMFB-JTQLQIEISA-N -1 3 269.728 2.731 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(Cl)cc1 ZINC000846550292 632738916 /nfs/dbraw/zinc/73/89/16/632738916.db2.gz OBIXZGFFYPHMFB-SNVBAGLBSA-N -1 3 269.728 2.731 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(F)c(Cl)c1 ZINC000846551411 632739902 /nfs/dbraw/zinc/73/99/02/632739902.db2.gz URGQDMFFTWYXJY-SECBINFHSA-N -1 3 287.718 2.870 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC000846553952 632740681 /nfs/dbraw/zinc/74/06/81/632740681.db2.gz GEEXOBSONDHXAK-SNVBAGLBSA-N -1 3 285.290 2.843 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1c(C)cccc1Cl ZINC000846554733 632741855 /nfs/dbraw/zinc/74/18/55/632741855.db2.gz LUCRLFCORVLCJI-JTQLQIEISA-N -1 3 253.729 2.813 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(Br)c1C ZINC000846555156 632741980 /nfs/dbraw/zinc/74/19/80/632741980.db2.gz OQGPTPKKROPOAT-SECBINFHSA-N -1 3 298.180 2.922 20 30 CFEDHM C=CCCCCC/N=C\c1c([O-])c(C)ncc1CO ZINC000846756835 632787574 /nfs/dbraw/zinc/78/75/74/632787574.db2.gz MWVRMYNZMFVGAQ-YBEGLDIGSA-N -1 3 262.353 2.753 20 30 CFEDHM C=CCCCCCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000846758574 632788681 /nfs/dbraw/zinc/78/86/81/632788681.db2.gz PBORUTQKBRAABI-QINSGFPZSA-N -1 3 284.359 2.634 20 30 CFEDHM CCCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135977 633208299 /nfs/dbraw/zinc/20/82/99/633208299.db2.gz KIJSVHARVDJKQF-XJKSGUPXSA-N -1 3 298.427 2.870 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2cc3n(n2)CCC3)ccc1[O-] ZINC000849245560 633588931 /nfs/dbraw/zinc/58/89/31/633588931.db2.gz SOUQDJFYTGAUKQ-ALCCZGGFSA-N -1 3 268.316 2.739 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C)o2)CCCC1 ZINC000849469548 633637619 /nfs/dbraw/zinc/63/76/19/633637619.db2.gz GQPJBPVDSZMTRR-UHFFFAOYSA-N -1 3 269.366 2.755 20 30 CFEDHM CO[C@@]1(C)C[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000852998548 634870888 /nfs/dbraw/zinc/87/08/88/634870888.db2.gz OFAGWRUSOBJQKK-UEDGDREWSA-N -1 3 284.153 2.751 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(Cl)c(F)c1 ZINC000855026793 635445585 /nfs/dbraw/zinc/44/55/85/635445585.db2.gz PGIROEVLCNEQMI-UHFFFAOYSA-N -1 3 287.718 2.872 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000855028724 635446658 /nfs/dbraw/zinc/44/66/58/635446658.db2.gz ZNHRKIDZOICDRY-WHOFXGATSA-N -1 3 275.348 2.811 20 30 CFEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000856028560 635704084 /nfs/dbraw/zinc/70/40/84/635704084.db2.gz WTILCUUFKJVOIV-UHFFFAOYSA-N -1 3 281.739 2.927 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2c1cccc2C ZINC000856032722 635707509 /nfs/dbraw/zinc/70/75/09/635707509.db2.gz ULDFFVUVMLLKBZ-UHFFFAOYSA-N -1 3 258.321 2.643 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000856032640 635707957 /nfs/dbraw/zinc/70/79/57/635707957.db2.gz PAIWWJOZIKOCCC-GFCCVEGCSA-N -1 3 263.337 2.813 20 30 CFEDHM C=CCCO[N-]C(=O)CCCc1cc(F)ccc1F ZINC000856034345 635708837 /nfs/dbraw/zinc/70/88/37/635708837.db2.gz LMXBIVCHFJQGTP-UHFFFAOYSA-N -1 3 269.291 2.911 20 30 CFEDHM C#C[C@H]([N-]c1nc2cccc(F)c2o1)[C@H]1CCCO1 ZINC000858488814 636270026 /nfs/dbraw/zinc/27/00/26/636270026.db2.gz ZAJHSHCJYWASAC-CMPLNLGQSA-N -1 3 260.268 2.560 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000862133017 637278793 /nfs/dbraw/zinc/27/87/93/637278793.db2.gz RLXUESSNBSJNLF-BFHYXJOUSA-N -1 3 277.751 2.850 20 30 CFEDHM C#CC[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000862448098 637389388 /nfs/dbraw/zinc/38/93/88/637389388.db2.gz WWDZCOCKRFQZNB-SNVBAGLBSA-N -1 3 251.276 2.516 20 30 CFEDHM C#CC[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000862448096 637389693 /nfs/dbraw/zinc/38/96/93/637389693.db2.gz WWDZCOCKRFQZNB-JTQLQIEISA-N -1 3 251.276 2.516 20 30 CFEDHM C[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CO1 ZINC000863125118 637565613 /nfs/dbraw/zinc/56/56/13/637565613.db2.gz NMRFHCOTPANWOM-MRVPVSSYSA-N -1 3 274.349 2.869 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2ccsc2)c1[O-] ZINC000864346757 637946767 /nfs/dbraw/zinc/94/67/67/637946767.db2.gz ZVOPCJSOQUDWIC-ZEVSEFGUSA-N -1 3 288.372 2.624 20 30 CFEDHM CCOc1ncccc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866229133 638775315 /nfs/dbraw/zinc/77/53/15/638775315.db2.gz PUNXWSUBSSOGNT-GFCCVEGCSA-N -1 3 297.358 2.908 20 30 CFEDHM CCc1noc(C)c1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866364553 638804791 /nfs/dbraw/zinc/80/47/91/638804791.db2.gz RJDQVVYQSDSGIA-SNVBAGLBSA-N -1 3 285.347 2.974 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1c(C)cc(N(C)C)cc1C ZINC000869154782 639050073 /nfs/dbraw/zinc/05/00/73/639050073.db2.gz YFIZHRLBZFEFEA-UHFFFAOYSA-N -1 3 276.380 2.536 20 30 CFEDHM N#CCCCCCC(=O)[N-]OCCCC(F)(F)F ZINC000871216414 641252656 /nfs/dbraw/zinc/25/26/56/641252656.db2.gz SAOBYGRYESEEIW-UHFFFAOYSA-N -1 3 266.263 2.851 20 30 CFEDHM O=C1OCC[C@@H]1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000871596906 641362640 /nfs/dbraw/zinc/36/26/40/641362640.db2.gz HAVCNWJGQOVGSQ-JSJZUPIVSA-N -1 3 281.739 2.808 20 30 CFEDHM N#Cc1ccc(C=C2SC(=O)[N-]C2=O)c(C(F)(F)F)c1 ZINC000874928151 642554298 /nfs/dbraw/zinc/55/42/98/642554298.db2.gz KKBHSPIOLFVTKG-WTKPLQERSA-N -1 3 298.245 2.901 20 30 CFEDHM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000125785472 642780892 /nfs/dbraw/zinc/78/08/92/642780892.db2.gz LLFGBYQSYIAYTN-ZDUSSCGKSA-N -1 3 282.290 2.595 20 30 CFEDHM N#CC1(CNCc2ccc(F)c(F)c2[O-])CCCC1 ZINC000877610806 643398438 /nfs/dbraw/zinc/39/84/38/643398438.db2.gz ZAGUDRUQPQSZFG-UHFFFAOYSA-N -1 3 266.291 2.844 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000878093781 643731452 /nfs/dbraw/zinc/73/14/52/643731452.db2.gz CXUGSZHJGITFLJ-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H]1CCC[C@H]1C#N ZINC000879310513 644218639 /nfs/dbraw/zinc/21/86/39/644218639.db2.gz UPDSMRYWXSYNDL-WCQYABFASA-N -1 3 298.346 2.566 20 30 CFEDHM CC(C)(C#N)CCCCOC(=O)c1cccc2nn[n-]c21 ZINC000800207908 646188614 /nfs/dbraw/zinc/18/86/14/646188614.db2.gz GLMMGAHRHCDBNG-UHFFFAOYSA-N -1 3 286.335 2.835 20 30 CFEDHM CC(C)(C#N)CCCCOC(=O)c1cccc2[n-]nnc21 ZINC000800207908 646188617 /nfs/dbraw/zinc/18/86/17/646188617.db2.gz GLMMGAHRHCDBNG-UHFFFAOYSA-N -1 3 286.335 2.835 20 30 CFEDHM CC(C)(C#N)CCCCOC(=O)c1cccc2n[n-]nc21 ZINC000800207908 646188619 /nfs/dbraw/zinc/18/86/19/646188619.db2.gz GLMMGAHRHCDBNG-UHFFFAOYSA-N -1 3 286.335 2.835 20 30 CFEDHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(C#N)cc1 ZINC000800207904 646189438 /nfs/dbraw/zinc/18/94/38/646189438.db2.gz IMXQZNXQPFJRKP-SNVBAGLBSA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(C#N)cc1 ZINC000800207904 646189443 /nfs/dbraw/zinc/18/94/43/646189443.db2.gz IMXQZNXQPFJRKP-SNVBAGLBSA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(C#N)cc1 ZINC000800207904 646189448 /nfs/dbraw/zinc/18/94/48/646189448.db2.gz IMXQZNXQPFJRKP-SNVBAGLBSA-N -1 3 292.298 2.748 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800209385 646190711 /nfs/dbraw/zinc/19/07/11/646190711.db2.gz SZVQDSXNJGFXHC-SNVBAGLBSA-N -1 3 259.309 2.860 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800209385 646190715 /nfs/dbraw/zinc/19/07/15/646190715.db2.gz SZVQDSXNJGFXHC-SNVBAGLBSA-N -1 3 259.309 2.860 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800209385 646190723 /nfs/dbraw/zinc/19/07/23/646190723.db2.gz SZVQDSXNJGFXHC-SNVBAGLBSA-N -1 3 259.309 2.860 20 30 CFEDHM N#CCCCCCC(=O)[N-]OCCOc1ccccc1 ZINC000889445218 647572325 /nfs/dbraw/zinc/57/23/25/647572325.db2.gz SLXGSQSUZQQMNA-UHFFFAOYSA-N -1 3 276.336 2.587 20 30 CFEDHM C=C[C@](C)(CC)C(=O)NCc1c([O-])cccc1F ZINC000928708309 648945233 /nfs/dbraw/zinc/94/52/33/648945233.db2.gz JTTPPXSHURFCHK-CQSZACIVSA-N -1 3 251.301 2.750 20 30 CFEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1cccc2ccccc12 ZINC000254302445 651085349 /nfs/dbraw/zinc/08/53/49/651085349.db2.gz LHEYQNBUSWJFDZ-UHFFFAOYSA-N -1 3 288.314 2.952 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@@H](C#N)c1ccccc1 ZINC000706663947 770474145 /nfs/dbraw/zinc/47/41/45/770474145.db2.gz KEETYKUOWAHHPL-ZDUSSCGKSA-N -1 3 266.300 2.695 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@H](C#N)c1ccccc1 ZINC000706663944 770474538 /nfs/dbraw/zinc/47/45/38/770474538.db2.gz KEETYKUOWAHHPL-CYBMUJFWSA-N -1 3 266.300 2.695 20 30 CFEDHM N#Cc1c(Cl)cccc1Nc1cc([O-])cc(C(N)=O)c1 ZINC001216128697 770744902 /nfs/dbraw/zinc/74/49/02/770744902.db2.gz NRBRLTNPXCHIJO-UHFFFAOYSA-N -1 3 287.706 2.760 20 30 CFEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127710647 770926425 /nfs/dbraw/zinc/92/64/25/770926425.db2.gz LKTGTATZQAIGNB-CYBMUJFWSA-N -1 3 282.299 2.858 20 30 CFEDHM C=C1O[C@@H](CC)C(=O)C1Oc1cc(C(C)=O)ccc1[O-] ZINC001225996866 775662016 /nfs/dbraw/zinc/66/20/16/775662016.db2.gz YUFFABPJZBHKKH-LBPRGKRZSA-N -1 3 276.288 2.583 20 30 CFEDHM Cc1ccc2c(c1)CC[C@@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226252809 775756152 /nfs/dbraw/zinc/75/61/52/775756152.db2.gz APOQOTQCDMXSQI-VEJKBTLKSA-N -1 3 269.304 2.659 20 30 CFEDHM CC[C@H](C[C@@H](C)CC)Oc1nccc(/C=N/[O-])n1 ZINC001226255454 775757476 /nfs/dbraw/zinc/75/74/76/775757476.db2.gz JJSLLESNSRLWPC-DLVFKZMPSA-N -1 3 251.330 2.878 20 30 CFEDHM N#CC1CCC(Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226594791 775887389 /nfs/dbraw/zinc/88/73/89/775887389.db2.gz BMTPFICPTUKYLC-UHFFFAOYSA-N -1 3 285.299 2.960 20 30 CFEDHM C=CCc1c([O-])ccc(C(C)=O)c1OC1CCN(C)CC1 ZINC001227120153 776106502 /nfs/dbraw/zinc/10/65/02/776106502.db2.gz GDRLJVYEEFUQRA-UHFFFAOYSA-N -1 3 289.375 2.796 20 30 CFEDHM CCOC(=O)[C@H]1CCC[C@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227349177 776181252 /nfs/dbraw/zinc/18/12/52/776181252.db2.gz FXFNOUJYIXLCFD-STQMWFEESA-N -1 3 289.331 2.765 20 30 CFEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ncccc1F ZINC001227349422 776181313 /nfs/dbraw/zinc/18/13/13/776181313.db2.gz HHIYGCJKFHOMFU-SECBINFHSA-N -1 3 258.252 2.938 20 30 CFEDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227349171 776181427 /nfs/dbraw/zinc/18/14/27/776181427.db2.gz FXFNOUJYIXLCFD-CHWSQXEVSA-N -1 3 289.331 2.765 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@@H]2COCc3ccccc32)c1 ZINC001227351620 776183184 /nfs/dbraw/zinc/18/31/84/776183184.db2.gz WMFBKNOZXAMZQX-MRXNPFEDSA-N -1 3 267.284 2.914 20 30 CFEDHM C[C@@H](CS)Oc1c([O-])cc(Br)cc1F ZINC001227590152 776236952 /nfs/dbraw/zinc/23/69/52/776236952.db2.gz DAQXSGPZATZCFS-YFKPBYRVSA-N -1 3 281.146 2.991 20 30 CFEDHM C#C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C(C)C ZINC001227583942 776235575 /nfs/dbraw/zinc/23/55/75/776235575.db2.gz OPQOUEYQNDKQCM-VIFPVBQESA-N -1 3 259.227 2.843 20 30 CFEDHM N#C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1cccc(F)c1 ZINC001228003574 776357978 /nfs/dbraw/zinc/35/79/78/776357978.db2.gz AVFMSBZGQAKAAM-GFCCVEGCSA-N -1 3 296.261 2.513 20 30 CFEDHM C#CC(C#C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228154746 776411938 /nfs/dbraw/zinc/41/19/38/776411938.db2.gz MZPNZMBWTZXYKY-UHFFFAOYSA-N -1 3 276.291 2.637 20 30 CFEDHM Cc1[n-]c(=O)cc(O[C@H](C)CC(C)(C)S)c1[N+](=O)[O-] ZINC001228688555 776568754 /nfs/dbraw/zinc/56/87/54/776568754.db2.gz JVNSGPDUFBSGCN-SSDOTTSWSA-N -1 3 286.353 2.870 20 30 CFEDHM C#C[C@@H](Oc1nnc(-c2ccncc2)[n-]1)c1ccccc1 ZINC001228697672 776573367 /nfs/dbraw/zinc/57/33/67/776573367.db2.gz NOTYTTOZOIXWQW-CQSZACIVSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@@H](Oc1nc(-c2ccncc2)n[n-]1)c1ccccc1 ZINC001228697672 776573379 /nfs/dbraw/zinc/57/33/79/776573379.db2.gz NOTYTTOZOIXWQW-CQSZACIVSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228697672 776573382 /nfs/dbraw/zinc/57/33/82/776573382.db2.gz NOTYTTOZOIXWQW-CQSZACIVSA-N -1 3 276.299 2.620 20 30 CFEDHM N#CC1CCC(Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228857417 776636746 /nfs/dbraw/zinc/63/67/46/776636746.db2.gz KLVPPMVRDQXCKH-UHFFFAOYSA-N -1 3 271.316 2.982 20 30 CFEDHM C#C[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229101085 776718522 /nfs/dbraw/zinc/71/85/22/776718522.db2.gz XOYPZNRUIXWVNS-QMMMGPOBSA-N -1 3 271.110 2.651 20 30 CFEDHM CC1=C(Oc2cccc([O-])c2Br)C(=O)[C@@H](C)O1 ZINC001229138725 776730964 /nfs/dbraw/zinc/73/09/64/776730964.db2.gz CGSRMPCTJWZDIY-ZCFIWIBFSA-N -1 3 299.120 2.753 20 30 CFEDHM C#CC[C@@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570869 776849038 /nfs/dbraw/zinc/84/90/38/776849038.db2.gz VJQOBYITAMZSHW-SSDOTTSWSA-N -1 3 250.348 2.771 20 30 CFEDHM C/C(=N\[O-])c1ccccc1OC1CN(C(C)(C)C)C1 ZINC001229736759 776883835 /nfs/dbraw/zinc/88/38/35/776883835.db2.gz JMJHZYGSERBFOX-LFIBNONCSA-N -1 3 262.353 2.746 20 30 CFEDHM C[C@@H](O)CC(=O)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932998 776920158 /nfs/dbraw/zinc/92/01/58/776920158.db2.gz KKUJDUJZRFHVCR-MBNTZHJCSA-N -1 3 299.326 2.819 20 30 CFEDHM C=CC[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229952208 776922526 /nfs/dbraw/zinc/92/25/26/776922526.db2.gz ZSHJGUJINAHTIA-GFCCVEGCSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229952208 776922531 /nfs/dbraw/zinc/92/25/31/776922531.db2.gz ZSHJGUJINAHTIA-GFCCVEGCSA-N -1 3 258.325 2.846 20 30 CFEDHM C#C[C@@H](Oc1[n-]c(=O)nc2c1SCC2)c1ccccc1 ZINC001230792676 777064912 /nfs/dbraw/zinc/06/49/12/777064912.db2.gz SJKGIQUXSACRFD-GFCCVEGCSA-N -1 3 284.340 2.584 20 30 CFEDHM C#C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccncc1 ZINC001231074100 777132670 /nfs/dbraw/zinc/13/26/70/777132670.db2.gz KTEVDVBGOJGBTL-ZDUSSCGKSA-N -1 3 295.273 2.623 20 30 CFEDHM N#CC1CCC(Oc2[n-]c(=O)nc3cccc(F)c32)CC1 ZINC001231077517 777134420 /nfs/dbraw/zinc/13/44/20/777134420.db2.gz WMLFSMKEDAIOIU-UHFFFAOYSA-N -1 3 287.294 2.936 20 30 CFEDHM C=C[C@H](CCCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231122190 777148501 /nfs/dbraw/zinc/14/85/01/777148501.db2.gz RBJHXWUEUPJFJW-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@H](CCCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231122190 777148507 /nfs/dbraw/zinc/14/85/07/777148507.db2.gz RBJHXWUEUPJFJW-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM [O-]c1cc(CN2CCC(S)CC2)ccc1Cl ZINC001231734249 777317748 /nfs/dbraw/zinc/31/77/48/777317748.db2.gz VBUDMZQZDSITFV-UHFFFAOYSA-N -1 3 257.786 2.940 20 30 CFEDHM C=C[C@@H](CCCCC)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226238922 777485702 /nfs/dbraw/zinc/48/57/02/777485702.db2.gz DKBSGCVFYJPXEW-NSHDSACASA-N -1 3 264.325 2.899 20 30 CFEDHM Cc1nc(O[C@H](C)c2ccccc2C#N)cc(=O)[n-]1 ZINC001226512859 777559774 /nfs/dbraw/zinc/55/97/74/777559774.db2.gz VTLCAPHGOXXUGY-SECBINFHSA-N -1 3 255.277 2.502 20 30 CFEDHM COc1ccc(CN2CC[C@@](C)(C#N)C2)c(Cl)c1[O-] ZINC001233401451 777938902 /nfs/dbraw/zinc/93/89/02/777938902.db2.gz ABPFHILCALNBGX-AWEZNQCLSA-N -1 3 280.755 2.790 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233804309 778081905 /nfs/dbraw/zinc/08/19/05/778081905.db2.gz WMVZJAHNQBXQRM-HBWTURNESA-N -1 3 259.305 2.684 20 30 CFEDHM CCOC(=O)[C@@H](CC(C)C)Oc1cc([O-])cc(C#N)c1 ZINC001234138698 778172912 /nfs/dbraw/zinc/17/29/12/778172912.db2.gz DMTQPOYOUJFWTK-CQSZACIVSA-N -1 3 277.320 2.620 20 30 CFEDHM C#C[C@@H](CC(C)C)Oc1ncc(Br)cc1[O-] ZINC001228955797 778214787 /nfs/dbraw/zinc/21/47/87/778214787.db2.gz MCHSIPXWKUPNKH-JTQLQIEISA-N -1 3 284.153 2.976 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445842 778227916 /nfs/dbraw/zinc/22/79/16/778227916.db2.gz CLSIVWKUMUPAMK-SNVBAGLBSA-N -1 3 274.396 2.917 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3CCC(F)(F)C3)c12 ZINC001234512777 778240837 /nfs/dbraw/zinc/24/08/37/778240837.db2.gz DWTZYYHGCCJKED-SECBINFHSA-N -1 3 291.257 2.774 20 30 CFEDHM COc1cc([O-])c(C)c(OC2CC(C#N)C2)c1C(C)=O ZINC001234791585 778299096 /nfs/dbraw/zinc/29/90/96/778299096.db2.gz POXMFDWSAKSHLA-UHFFFAOYSA-N -1 3 275.304 2.593 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159385296 778564279 /nfs/dbraw/zinc/56/42/79/778564279.db2.gz ZSATWSNBUGXMNB-UHFFFAOYSA-N -1 3 291.244 2.917 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001236532236 778866403 /nfs/dbraw/zinc/86/64/03/778866403.db2.gz KELNIKLOUPREPA-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001236532236 778866409 /nfs/dbraw/zinc/86/64/09/778866409.db2.gz KELNIKLOUPREPA-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM COc1ccc(C#N)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001236546779 778873331 /nfs/dbraw/zinc/87/33/31/778873331.db2.gz LRSBXSXBAOHOBS-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1ccc(C#N)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001236546779 778873338 /nfs/dbraw/zinc/87/33/38/778873338.db2.gz LRSBXSXBAOHOBS-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM CC1(C#N)CCN(Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237163722 779032476 /nfs/dbraw/zinc/03/24/76/779032476.db2.gz DOTZRAXAYTUCJG-UHFFFAOYSA-N -1 3 271.773 2.628 20 30 CFEDHM N#Cc1ccc2c(c1)CCN(Cc1cc([O-])cc(F)c1)C2 ZINC001237278519 779066616 /nfs/dbraw/zinc/06/66/16/779066616.db2.gz ZMTFEHFRGPYKBB-UHFFFAOYSA-N -1 3 282.318 2.961 20 30 CFEDHM COc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001239932569 779869459 /nfs/dbraw/zinc/86/94/59/779869459.db2.gz WISMZKUIHPQZKR-ICFOKQHNSA-N -1 3 254.289 2.882 20 30 CFEDHM CNC(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240570020 780262203 /nfs/dbraw/zinc/26/22/03/780262203.db2.gz VCVCSPYAZBPAFL-GIJQJNRQSA-N -1 3 272.279 2.660 20 30 CFEDHM [O-]/N=C1/CCc2cc(-c3cnn([C@H]4CCOC4)c3)ccc21 ZINC001240639707 780316539 /nfs/dbraw/zinc/31/65/39/780316539.db2.gz CRADMWFYRZOUMJ-HFUDNHEJSA-N -1 3 283.331 2.636 20 30 CFEDHM CC(C)(O)c1cncc(-c2ccccc2C=N[O-])c1 ZINC001240668627 780342284 /nfs/dbraw/zinc/34/22/84/780342284.db2.gz DBEQUTDHTGXYLC-UHFFFAOYSA-N -1 3 256.305 2.784 20 30 CFEDHM COC(=O)c1cc(-c2cc(F)ccc2[O-])ccc1C#N ZINC001240698174 780369633 /nfs/dbraw/zinc/36/96/33/780369633.db2.gz GSYACAXBWAICGU-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM Cc1cnc(Nc2cc(F)cc(F)c2[O-])c(C#N)c1 ZINC001212482035 780398464 /nfs/dbraw/zinc/39/84/64/780398464.db2.gz XIYRJFFIIKQQLB-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM Cc1nc(C#N)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212482046 780398506 /nfs/dbraw/zinc/39/85/06/780398506.db2.gz XQRWWUMXNJEMOB-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM N#Cc1nccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001241445740 780898275 /nfs/dbraw/zinc/89/82/75/780898275.db2.gz AIZODQUWRSNRDB-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1nccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001241445740 780898285 /nfs/dbraw/zinc/89/82/85/780898285.db2.gz AIZODQUWRSNRDB-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM Cc1cc2c(cc1-c1ccc([O-])c(C#N)c1)CC(=O)N2 ZINC001242566490 781606918 /nfs/dbraw/zinc/60/69/18/781606918.db2.gz BUMFZUZHFAZCCB-UHFFFAOYSA-N -1 3 264.284 2.734 20 30 CFEDHM CSc1nc(C)c(C#N)c(-c2cc([O-])ccc2F)n1 ZINC001242760956 781745479 /nfs/dbraw/zinc/74/54/79/781745479.db2.gz IRRHYSGZIPDTNX-UHFFFAOYSA-N -1 3 275.308 2.890 20 30 CFEDHM COC(=O)c1ccc(C#N)cc1-c1cc([O-])ccc1F ZINC001242764540 781748444 /nfs/dbraw/zinc/74/84/44/781748444.db2.gz LLTRVWYWVSXSDT-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM N#Cc1ncncc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242781718 781758668 /nfs/dbraw/zinc/75/86/68/781758668.db2.gz FGGLWYCEPJDMJM-UHFFFAOYSA-N -1 3 265.194 2.740 20 30 CFEDHM N#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C1CCCC1 ZINC001119605067 781834595 /nfs/dbraw/zinc/83/45/95/781834595.db2.gz LWXAZPPQPSJXHP-CYBMUJFWSA-N -1 3 278.302 2.977 20 30 CFEDHM N#Cc1cnnc(-c2cc([O-])cc(OC(F)(F)F)c2)c1 ZINC001242987635 781901550 /nfs/dbraw/zinc/90/15/50/781901550.db2.gz LRMHBJPXYPXZQO-UHFFFAOYSA-N -1 3 281.193 2.619 20 30 CFEDHM N#Cc1nccc(-c2cc([O-])cc(OC(F)(F)F)c2)n1 ZINC001242986192 781901804 /nfs/dbraw/zinc/90/18/04/781901804.db2.gz 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C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593542830 349292262 /nfs/dbraw/zinc/29/22/62/349292262.db2.gz AKGBJACENPIAJA-GMTAPVOTSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593556131 349292796 /nfs/dbraw/zinc/29/27/96/349292796.db2.gz KMQCEUJHOGJQNZ-UWVGGRQHSA-N -1 3 286.422 2.723 20 30 CFEDHM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593627773 349302252 /nfs/dbraw/zinc/30/22/52/349302252.db2.gz KWJNWMLPLDQREA-VHSXEESVSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@](C)(C#N)NC(=O)c1cc(SC)ccc1[O-] ZINC000597036205 350019129 /nfs/dbraw/zinc/01/91/29/350019129.db2.gz ODQLNQIOZKGDKI-CYBMUJFWSA-N -1 3 264.350 2.536 20 30 CFEDHM C[C@]1(C#N)CCN(Cc2cc([O-])ccc2Br)C1 ZINC000597229593 350063972 /nfs/dbraw/zinc/06/39/72/350063972.db2.gz MXNOBWYESCAONR-CYBMUJFWSA-N -1 3 295.180 2.890 20 30 CFEDHM Cc1ccc(C(=O)N([C@H](C)C#N)C2CC2)c([O-])c1C ZINC000598132373 350205553 /nfs/dbraw/zinc/20/55/53/350205553.db2.gz IAIOVANQTRTBGW-SNVBAGLBSA-N 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SELMQITYKFNKRQ-OCCSQVGLSA-N -1 3 269.348 2.665 20 30 CFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cocn3)sc2C1 ZINC000609215447 351491538 /nfs/dbraw/zinc/49/15/38/351491538.db2.gz GWWYUEAEUVLEGI-QMMMGPOBSA-N -1 3 287.344 2.985 20 30 CFEDHM C=CCSCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000291444215 198023935 /nfs/dbraw/zinc/02/39/35/198023935.db2.gz GKKDBTNQAGYSAV-UHFFFAOYSA-N -1 3 265.378 2.604 20 30 CFEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611013086 351634169 /nfs/dbraw/zinc/63/41/69/351634169.db2.gz WISGQQRBTHMREH-VIFPVBQESA-N -1 3 286.784 2.679 20 30 CFEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611013071 351634425 /nfs/dbraw/zinc/63/44/25/351634425.db2.gz PSFHDUBKNGFKFJ-SECBINFHSA-N -1 3 286.784 2.679 20 30 CFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000611016296 351634549 /nfs/dbraw/zinc/63/45/49/351634549.db2.gz RDDYASDTINHRNL-SECBINFHSA-N -1 3 298.795 2.536 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CC[C@](F)(C#N)C2)c([O-])c1 ZINC000615824889 352244224 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ZINC000622144761 353485215 /nfs/dbraw/zinc/48/52/15/353485215.db2.gz ZVBVPRSOCSTBSS-NSHDSACASA-N -1 3 261.321 2.526 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625238494 354002862 /nfs/dbraw/zinc/00/28/62/354002862.db2.gz WSCSNZLKXQMYNX-UHFFFAOYSA-N -1 3 275.320 2.518 20 30 CFEDHM C=C(CC)CN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629369010 354790232 /nfs/dbraw/zinc/79/02/32/354790232.db2.gz JAPQLSCUMZEGGM-UHFFFAOYSA-N -1 3 280.393 2.987 20 30 CFEDHM CC(=O)c1ccc(C(=O)[N-]c2sccc2C#N)o1 ZINC000335885740 540225857 /nfs/dbraw/zinc/22/58/57/540225857.db2.gz PXFCSEXZLBCEIF-UHFFFAOYSA-N -1 3 260.274 2.668 20 30 CFEDHM C#CCO[C@H](C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000296670208 199964411 /nfs/dbraw/zinc/96/44/11/199964411.db2.gz FTUVLAZCWPAVMQ-SNVBAGLBSA-N -1 3 288.303 2.552 20 30 CFEDHM C#CCN(CC)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297597161 200237837 /nfs/dbraw/zinc/23/78/37/200237837.db2.gz FQWFDVKSOJAMLY-UHFFFAOYSA-N -1 3 267.756 2.899 20 30 CFEDHM C#CCCCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000179888513 189225564 /nfs/dbraw/zinc/22/55/64/189225564.db2.gz CAFIIRXAMXHTOH-UHFFFAOYSA-N -1 3 272.308 2.505 20 30 CFEDHM C#CCCCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000179888513 189225565 /nfs/dbraw/zinc/22/55/65/189225565.db2.gz CAFIIRXAMXHTOH-UHFFFAOYSA-N -1 3 272.308 2.505 20 30 CFEDHM C#CCCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000179888513 189225566 /nfs/dbraw/zinc/22/55/66/189225566.db2.gz CAFIIRXAMXHTOH-UHFFFAOYSA-N -1 3 272.308 2.505 20 30 CFEDHM COCc1nocc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000425396201 239042995 /nfs/dbraw/zinc/04/29/95/239042995.db2.gz JVILTIDDKBATDO-UHFFFAOYSA-N -1 3 291.332 2.623 20 30 CFEDHM C=CCNC(=O)c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243046741 781950643 /nfs/dbraw/zinc/95/06/43/781950643.db2.gz IGZOGIUPQPZOAY-UHFFFAOYSA-N -1 3 272.279 2.509 20 30 CFEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000426831673 239269515 /nfs/dbraw/zinc/26/95/15/239269515.db2.gz GKHUHTJUIZWLDW-ZDUSSCGKSA-N -1 3 272.329 2.535 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2cccc(F)c2C#N)c1 ZINC000428020151 239363085 /nfs/dbraw/zinc/36/30/85/239363085.db2.gz DCZGFAMUFMWIBY-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM CC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccc(C#N)cc1 ZINC000447603336 241392309 /nfs/dbraw/zinc/39/23/09/241392309.db2.gz XOGLNYMUNLCXBB-OAHLLOKOSA-N -1 3 282.347 2.603 20 30 CFEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1[O-] ZINC000029763563 372386009 /nfs/dbraw/zinc/38/60/09/372386009.db2.gz OBFGYPOQLZGFFP-NSHDSACASA-N -1 3 282.299 2.670 20 30 CFEDHM N#Cc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000049842177 373321411 /nfs/dbraw/zinc/32/14/11/373321411.db2.gz VKVVIBNHWBCNGE-CQSZACIVSA-N -1 3 272.348 2.635 20 30 CFEDHM N#Cc1ccc(/C=C/C(=O)Nc2ccccc2[O-])cc1 ZINC000492247026 246229685 /nfs/dbraw/zinc/22/96/85/246229685.db2.gz HRLNUGXHARSPHS-MDZDMXLPSA-N -1 3 264.284 2.916 20 30 CFEDHM C=CC1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000110967681 375834034 /nfs/dbraw/zinc/83/40/34/375834034.db2.gz WXUGWCWMJDRAGE-UHFFFAOYSA-N -1 3 282.343 2.566 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529511665 383714704 /nfs/dbraw/zinc/71/47/04/383714704.db2.gz KDNZXEUAJUHWNJ-KGLIPLIRSA-N -1 3 263.312 2.943 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529511670 383714764 /nfs/dbraw/zinc/71/47/64/383714764.db2.gz KDNZXEUAJUHWNJ-ZIAGYGMSSA-N -1 3 263.312 2.943 20 30 CFEDHM C=C[C@@H](CC(=O)[N-]C1=NCCS1)c1ccccc1 ZINC000124480903 377054492 /nfs/dbraw/zinc/05/44/92/377054492.db2.gz CFBBWYGDOKHQCU-NSHDSACASA-N -1 3 260.362 2.565 20 30 CFEDHM CC[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126571281 377235110 /nfs/dbraw/zinc/23/51/10/377235110.db2.gz CDXABRCHXKMEFZ-VIFPVBQESA-N -1 3 286.784 2.536 20 30 CFEDHM COC(=O)c1ccsc1[N-]C(=O)c1sccc1C#N ZINC000128101583 377318039 /nfs/dbraw/zinc/31/80/39/377318039.db2.gz BBEJMPAOZRGMDV-UHFFFAOYSA-N -1 3 292.341 2.720 20 30 CFEDHM Cc1noc(C)c1[C@@H](C)C/N=C/c1ccc(O)c([O-])c1O ZINC000129590983 377450033 /nfs/dbraw/zinc/45/00/33/377450033.db2.gz ZLXZUIQYMUCVCY-LBBJYAOWSA-N -1 3 290.319 2.631 20 30 CFEDHM C[C@H](CCc1cccn1C)/N=C/c1ccc(O)c([O-])c1O ZINC000132354426 377829350 /nfs/dbraw/zinc/82/93/50/377829350.db2.gz RJBROPBQXYJPAZ-JDAJCMJVSA-N -1 3 288.347 2.582 20 30 CFEDHM N#CC1(C(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000133043482 377898730 /nfs/dbraw/zinc/89/87/30/377898730.db2.gz OSWNZVRFFDRRNK-UHFFFAOYSA-N -1 3 276.311 2.622 20 30 CFEDHM C=CCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000133028673 377897388 /nfs/dbraw/zinc/89/73/88/377897388.db2.gz DZBXXYQGZTZLQG-UHFFFAOYSA-N -1 3 283.755 2.597 20 30 CFEDHM CC(C)[C@@H](C)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000330381408 378540654 /nfs/dbraw/zinc/54/06/54/378540654.db2.gz NFLDQAPYPFEVIR-QMMMGPOBSA-N -1 3 264.304 2.694 20 30 CFEDHM CC(C)[C@@H](C)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000330381408 378540658 /nfs/dbraw/zinc/54/06/58/378540658.db2.gz NFLDQAPYPFEVIR-QMMMGPOBSA-N -1 3 264.304 2.694 20 30 CFEDHM CC(C)[C@@H](C)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000330381408 378540661 /nfs/dbraw/zinc/54/06/61/378540661.db2.gz NFLDQAPYPFEVIR-QMMMGPOBSA-N -1 3 264.304 2.694 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000330604510 378590078 /nfs/dbraw/zinc/59/00/78/378590078.db2.gz GVTVRXWMLFBBCT-YGRLFVJLSA-N -1 3 263.337 2.827 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1ccc(C#N)s1 ZINC000335818707 379941353 /nfs/dbraw/zinc/94/13/53/379941353.db2.gz WTAVQBVPCMLJCY-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM C[C@@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179481823 380549312 /nfs/dbraw/zinc/54/93/12/380549312.db2.gz CFNWBAZGIFAUHT-NSHDSACASA-N -1 3 282.299 2.826 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2ccc(C#N)s2)c1 ZINC000336620711 380561888 /nfs/dbraw/zinc/56/18/88/380561888.db2.gz RTMCNYFIZDMTFN-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM C=CCC(C)(C)CN=c1[n-]c(C(=O)OCC)cs1 ZINC000336817659 380681165 /nfs/dbraw/zinc/68/11/65/380681165.db2.gz RFUCNOGYQHVXOO-UHFFFAOYSA-N -1 3 268.382 2.756 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180853372 380707633 /nfs/dbraw/zinc/70/76/33/380707633.db2.gz CSGTWWICOJNAHU-NSHDSACASA-N -1 3 298.364 2.618 20 30 CFEDHM CC#CCN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000295580893 380954796 /nfs/dbraw/zinc/95/47/96/380954796.db2.gz LJSHJZUBBJMJSD-UHFFFAOYSA-N -1 3 281.355 2.960 20 30 CFEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc2[n-]nnc21 ZINC000182755108 381150261 /nfs/dbraw/zinc/15/02/61/381150261.db2.gz FMVQHCBKDIITJF-UHFFFAOYSA-N -1 3 292.342 2.786 20 30 CFEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc2nn[n-]c21 ZINC000182755108 381150263 /nfs/dbraw/zinc/15/02/63/381150263.db2.gz FMVQHCBKDIITJF-UHFFFAOYSA-N -1 3 292.342 2.786 20 30 CFEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc2n[n-]nc21 ZINC000182755108 381150264 /nfs/dbraw/zinc/15/02/64/381150264.db2.gz FMVQHCBKDIITJF-UHFFFAOYSA-N -1 3 292.342 2.786 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cnc(OC)c(Cl)c1 ZINC000295929607 381163458 /nfs/dbraw/zinc/16/34/58/381163458.db2.gz JVSKYWVWDXINFO-UHFFFAOYSA-N -1 3 290.697 2.571 20 30 CFEDHM N#CC(=C([O-])c1ccc(OC2CCC2)cc1)c1ccncn1 ZINC000354461082 381286894 /nfs/dbraw/zinc/28/68/94/381286894.db2.gz GQUWJKKPFYWANX-HNNXBMFYSA-N -1 3 293.326 2.898 20 30 CFEDHM CC(C)Oc1ncccc1C([O-])=C(C#N)c1ccccn1 ZINC000342440133 381332343 /nfs/dbraw/zinc/33/23/43/381332343.db2.gz NXMOZSGUEWYTLE-CYBMUJFWSA-N -1 3 281.315 2.754 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1C(C)(C)C ZINC000049458776 412944077 /nfs/dbraw/zinc/94/40/77/412944077.db2.gz WLVPXJOQYQNWQQ-LBPRGKRZSA-N -1 3 282.347 2.832 20 30 CFEDHM C#CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000291219616 381711313 /nfs/dbraw/zinc/71/13/13/381711313.db2.gz JJUYTIILRKMETO-GHMZBOCLSA-N -1 3 284.142 2.778 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000351565939 382044248 /nfs/dbraw/zinc/04/42/48/382044248.db2.gz CQBMFHWVNCFTTJ-UHFFFAOYSA-N -1 3 298.364 2.538 20 30 CFEDHM N#Cc1cccc([C@H]2CN(Cc3ccccc3[O-])CCO2)c1 ZINC000374895925 382060425 /nfs/dbraw/zinc/06/04/25/382060425.db2.gz NPHOMYYGVPSTJQ-GOSISDBHSA-N -1 3 294.354 2.837 20 30 CFEDHM C=CCC(C)(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000293479625 382139541 /nfs/dbraw/zinc/13/95/41/382139541.db2.gz LKBLIEGGFSLPCL-UHFFFAOYSA-N -1 3 251.301 2.976 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000293478442 382139748 /nfs/dbraw/zinc/13/97/48/382139748.db2.gz URYZPGFUPJCQGL-QMMMGPOBSA-N -1 3 260.309 2.840 20 30 CFEDHM N#Cc1cccc(OCCCCC(=O)[N-]OCC2CC2)c1 ZINC000293761319 382267395 /nfs/dbraw/zinc/26/73/95/382267395.db2.gz LSYPXPDKDVHNED-UHFFFAOYSA-N -1 3 288.347 2.565 20 30 CFEDHM CCn1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cn1 ZINC000345380603 382301172 /nfs/dbraw/zinc/30/11/72/382301172.db2.gz RRQJAXPUVGPFPS-LBPRGKRZSA-N -1 3 293.330 2.578 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)COc1ccc(C#N)cc1 ZINC000352645314 382430599 /nfs/dbraw/zinc/43/05/99/382430599.db2.gz QAEBWOUNFZKPRH-UHFFFAOYSA-N -1 3 282.299 2.590 20 30 CFEDHM N#CC(=C([O-])c1cncnc1)c1ccc2ccccc2n1 ZINC000680648828 542347701 /nfs/dbraw/zinc/34/77/01/542347701.db2.gz JLSFMDKYGDULBA-CYBMUJFWSA-N -1 3 274.283 2.515 20 30 CFEDHM C[C@@]1(CNC(=O)c2cc(F)cc3nn[n-]c32)CCCS1 ZINC000328653694 382559929 /nfs/dbraw/zinc/55/99/29/382559929.db2.gz LEVVNEHCBLIKFF-ZDUSSCGKSA-N -1 3 294.355 2.687 20 30 CFEDHM C[C@@]1(CNC(=O)c2cc(F)cc3[n-]nnc32)CCCS1 ZINC000328653694 382559933 /nfs/dbraw/zinc/55/99/33/382559933.db2.gz LEVVNEHCBLIKFF-ZDUSSCGKSA-N -1 3 294.355 2.687 20 30 CFEDHM C[C@@]1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCCS1 ZINC000328653694 382559939 /nfs/dbraw/zinc/55/99/39/382559939.db2.gz LEVVNEHCBLIKFF-ZDUSSCGKSA-N -1 3 294.355 2.687 20 30 CFEDHM C=CCCC(=O)Nc1[n-]c(CCCC)nc1C(=O)OCC ZINC000191962258 382703795 /nfs/dbraw/zinc/70/37/95/382703795.db2.gz PAYAJPMFQGUROA-UHFFFAOYSA-N -1 3 293.367 2.834 20 30 CFEDHM C=CCCC(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC000191962258 382703796 /nfs/dbraw/zinc/70/37/96/382703796.db2.gz PAYAJPMFQGUROA-UHFFFAOYSA-N -1 3 293.367 2.834 20 30 CFEDHM C#CCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000192179129 382705203 /nfs/dbraw/zinc/70/52/03/382705203.db2.gz SLHMVOONERGWRZ-UHFFFAOYSA-N -1 3 296.164 2.574 20 30 CFEDHM C=CCCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000496255263 383080064 /nfs/dbraw/zinc/08/00/64/383080064.db2.gz MSNQGXJJIBSMAL-UHFFFAOYSA-N -1 3 279.292 2.694 20 30 CFEDHM CC(C)C1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000339036769 383127662 /nfs/dbraw/zinc/12/76/62/383127662.db2.gz CYNCGVXCLRHITP-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM CC(C)(C)CN(CCC#N)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448919331 383107271 /nfs/dbraw/zinc/10/72/71/383107271.db2.gz ZTXIJETTZDEPOJ-UHFFFAOYSA-N -1 3 292.354 2.862 20 30 CFEDHM C=C[C@](C)(CC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000566013656 383182444 /nfs/dbraw/zinc/18/24/44/383182444.db2.gz XGXZEGDHIOVCSS-CQSZACIVSA-N -1 3 269.308 2.862 20 30 CFEDHM C=CCN(Cc1ccc(OC)cc1)CC1(CC(=O)[O-])CC1 ZINC000515489279 383160026 /nfs/dbraw/zinc/16/00/26/383160026.db2.gz AWEOQWQYIDCNIN-UHFFFAOYSA-N -1 3 289.375 2.938 20 30 CFEDHM N#Cc1cnc(C(=O)Nc2ccccc2[O-])c(Cl)c1 ZINC000340123146 383360168 /nfs/dbraw/zinc/36/01/68/383360168.db2.gz IMUBSGBGLIIHTP-UHFFFAOYSA-N -1 3 273.679 2.565 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000527043226 383446577 /nfs/dbraw/zinc/44/65/77/383446577.db2.gz XPIMNSSVGYDUTH-LBPRGKRZSA-N -1 3 278.327 2.662 20 30 CFEDHM CC(=O)c1[n-]c(=N[C@H]2CC[C@@H](CC#N)C2)sc1C ZINC000450671754 383480502 /nfs/dbraw/zinc/48/05/02/383480502.db2.gz IWEXUEDFEKGPQJ-QWRGUYRKSA-N -1 3 263.366 2.570 20 30 CFEDHM Cc1ccc2c(CN(C)[C@H](C)CC#N)ccc([O-])c2n1 ZINC000429695285 383559251 /nfs/dbraw/zinc/55/92/51/383559251.db2.gz DNMPMZSEVPONJL-GFCCVEGCSA-N -1 3 269.348 2.983 20 30 CFEDHM Cc1ccc2c(CN(C)[C@@H](C)CC#N)ccc([O-])c2n1 ZINC000429695286 383559424 /nfs/dbraw/zinc/55/94/24/383559424.db2.gz DNMPMZSEVPONJL-LBPRGKRZSA-N -1 3 269.348 2.983 20 30 CFEDHM CCCOc1ccc(/C=N/[C@@H](C)CC(=O)OC)c([O-])c1 ZINC000264845619 383791097 /nfs/dbraw/zinc/79/10/97/383791097.db2.gz YJTXJZSMCCJRGH-YAFRSCOQSA-N -1 3 279.336 2.552 20 30 CFEDHM Cc1ccc(C(=O)NCCc2cccc(C#N)c2)c([O-])c1 ZINC000436663895 383869245 /nfs/dbraw/zinc/86/92/45/383869245.db2.gz NIIZKXRDPPRIEQ-UHFFFAOYSA-N -1 3 280.327 2.545 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000437522908 383905492 /nfs/dbraw/zinc/90/54/92/383905492.db2.gz JXZLZMHKOXHCPV-BBRMVZONSA-N -1 3 289.375 2.720 20 30 CFEDHM N#Cc1c([N-]C(=O)c2cncs2)sc2c1CCC2 ZINC000289418240 197337171 /nfs/dbraw/zinc/33/71/71/197337171.db2.gz ITBGHSTYZXWTST-UHFFFAOYSA-N -1 3 275.358 2.817 20 30 CFEDHM C=CC[C@H]1N(C(=O)c2cc(C)nc(=O)[n-]2)CCCC1(C)C ZINC000278163148 384487919 /nfs/dbraw/zinc/48/79/19/384487919.db2.gz PIGPOCOZOBGQPV-CYBMUJFWSA-N -1 3 289.379 2.698 20 30 CFEDHM C=C(C)[C@H](Cc1nc(-c2ccc([O-])cc2)no1)OCC ZINC000270025966 384946694 /nfs/dbraw/zinc/94/66/94/384946694.db2.gz JZYBZDOXXZFYQZ-ZDUSSCGKSA-N -1 3 274.320 2.966 20 30 CFEDHM CSCCON=C([O-])Nc1ccc(C#N)c(Cl)c1 ZINC000280527565 385047701 /nfs/dbraw/zinc/04/77/01/385047701.db2.gz NHNSHPBJGRECNG-UHFFFAOYSA-N -1 3 285.756 2.628 20 30 CFEDHM CSCCO[N-]C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000280527565 385047708 /nfs/dbraw/zinc/04/77/08/385047708.db2.gz NHNSHPBJGRECNG-UHFFFAOYSA-N -1 3 285.756 2.628 20 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288.347 2.603 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C#N)C(C)(C)C)cc1 ZINC000155282997 261099751 /nfs/dbraw/zinc/09/97/51/261099751.db2.gz YPCLLICUASYIDO-GFCCVEGCSA-N -1 3 296.317 2.841 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)Cc2cccnc2)c1 ZINC000020260266 262244164 /nfs/dbraw/zinc/24/41/64/262244164.db2.gz ANEADOWMKAYVCS-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C/SCc1ccco1 ZINC000493455867 262268673 /nfs/dbraw/zinc/26/86/73/262268673.db2.gz OKLTXUUPZZHQPU-PCGIRMHASA-N -1 3 253.323 2.649 20 30 CFEDHM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000187242305 262395204 /nfs/dbraw/zinc/39/52/04/262395204.db2.gz NWPBWTRRPFQWCW-HNNXBMFYSA-N -1 3 293.326 2.839 20 30 CFEDHM Cc1cc(N2CCC[C@@H](/N=C/c3ccccc3[O-])C2)n(C)n1 ZINC000278301995 263046781 /nfs/dbraw/zinc/04/67/81/263046781.db2.gz QZAPTTKAAAIBQJ-CLXYIWAZSA-N -1 3 298.390 2.522 20 30 CFEDHM CC[C@@](C)(C#N)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000285347666 263092336 /nfs/dbraw/zinc/09/23/36/263092336.db2.gz 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264.284 2.916 20 30 CFEDHM CC(=O)c1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1[O-] ZINC000516347973 281303072 /nfs/dbraw/zinc/30/30/72/281303072.db2.gz LPWSIGIABXOULQ-UHFFFAOYSA-N -1 3 298.273 2.858 20 30 CFEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156419390 289937857 /nfs/dbraw/zinc/93/78/57/289937857.db2.gz XDXVFMQACHCJBL-GXFFZTMASA-N -1 3 296.367 2.554 20 30 CFEDHM C[C@H]1CCc2onc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000582101945 327854335 /nfs/dbraw/zinc/85/43/35/327854335.db2.gz AVYRDOTVCOSHAU-CMPLNLGQSA-N -1 3 281.315 2.684 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@H](C#N)C2CC2)c([O-])c1 ZINC000332113539 328042604 /nfs/dbraw/zinc/04/26/04/328042604.db2.gz FTYCCPXCAMBJMT-CYBMUJFWSA-N -1 3 258.321 2.548 20 30 CFEDHM C=CCn1c(S[C@H]2CCC[C@H](C)C2)n[n-]c1=O ZINC000531850520 328044841 /nfs/dbraw/zinc/04/48/41/328044841.db2.gz SYMHRYWEKUHGFO-UWVGGRQHSA-N -1 3 253.371 2.841 20 30 CFEDHM C=CCCCCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412261807 328107372 /nfs/dbraw/zinc/10/73/72/328107372.db2.gz VIYFZMAQCPOLQI-UHFFFAOYSA-N -1 3 261.321 2.681 20 30 CFEDHM Cc1ccc([O-])c(CN2CCCC(C)(C)[C@H]2C#N)n1 ZINC000278396886 328225244 /nfs/dbraw/zinc/22/52/44/328225244.db2.gz NNTLALPAWGEXEO-CQSZACIVSA-N -1 3 259.353 2.610 20 30 CFEDHM CC(C)n1nccc1/C=C1/Cc2c(cccc2[O-])C1=O ZINC000279992279 328234047 /nfs/dbraw/zinc/23/40/47/328234047.db2.gz GTDVCFITWYEFLT-FLIBITNWSA-N -1 3 268.316 2.992 20 30 CFEDHM Cc1ccc(C(=O)Nc2cc(CC#N)ccn2)c([O-])c1C ZINC000531928608 328319159 /nfs/dbraw/zinc/31/91/59/328319159.db2.gz VHRWAJVKSJNZNR-UHFFFAOYSA-N -1 3 281.315 2.722 20 30 CFEDHM CCC[C@H](C)S(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC000572726359 322629670 /nfs/dbraw/zinc/62/96/70/322629670.db2.gz SSZSIGXUVCLCKZ-QMMMGPOBSA-N -1 3 287.772 2.537 20 30 CFEDHM C=C(C)[C@H](CC(=O)Nc1cccc([O-])c1F)OCC ZINC000534944286 328371283 /nfs/dbraw/zinc/37/12/83/328371283.db2.gz ADOLUOLEHQAJAG-LBPRGKRZSA-N -1 3 267.300 2.841 20 30 CFEDHM CCc1noc(C)c1[N-]C(=O)c1cccc(F)c1C#N ZINC000188844520 324021425 /nfs/dbraw/zinc/02/14/25/324021425.db2.gz KIFVUYHQEIKDSX-UHFFFAOYSA-N -1 3 273.267 2.809 20 30 CFEDHM COc1cc(-c2noc(-c3ccc(C#N)o3)n2)ccc1[O-] ZINC000350573660 324234614 /nfs/dbraw/zinc/23/46/14/324234614.db2.gz FTDDWEILLNJTKY-UHFFFAOYSA-N -1 3 283.243 2.582 20 30 CFEDHM CCN(CC#N)Cc1cc(Br)ccc1[O-] ZINC000076118495 327128922 /nfs/dbraw/zinc/12/89/22/327128922.db2.gz LQGSNPKMCOHCOF-UHFFFAOYSA-N -1 3 269.142 2.500 20 30 CFEDHM CCCOc1ccc(/C=N/CC(=O)OCC2CC2)c([O-])c1 ZINC000101799725 327222797 /nfs/dbraw/zinc/22/27/97/327222797.db2.gz IBFQSBUWQBLGBI-RQZCQDPDSA-N -1 3 291.347 2.553 20 30 CFEDHM N#CCC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000334944667 327396604 /nfs/dbraw/zinc/39/66/04/327396604.db2.gz AKFJZMBJWQUZNG-UHFFFAOYSA-N -1 3 278.739 2.811 20 30 CFEDHM C#CCCCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000179839826 329212495 /nfs/dbraw/zinc/21/24/95/329212495.db2.gz DQYBAZJJMLPSOM-UHFFFAOYSA-N -1 3 286.310 2.743 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(=O)[nH]1 ZINC000183203659 329248627 /nfs/dbraw/zinc/24/86/27/329248627.db2.gz DHHSKEXISKSGIG-LLVKDONJSA-N -1 3 293.282 2.727 20 30 CFEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccc1)c1ccccn1 ZINC000193253936 329439531 /nfs/dbraw/zinc/43/95/31/329439531.db2.gz BCXQUVYPRKAKKW-CYBMUJFWSA-N -1 3 288.310 2.962 20 30 CFEDHM C=CCOc1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263405978 330054340 /nfs/dbraw/zinc/05/43/40/330054340.db2.gz JTNALLUDQCIONH-GFCCVEGCSA-N -1 3 295.766 2.811 20 30 CFEDHM CC[C@@](C)(C#N)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528332423 330319249 /nfs/dbraw/zinc/31/92/49/330319249.db2.gz ZNTNBJRKJAFNPN-LBPRGKRZSA-N -1 3 297.152 2.577 20 30 CFEDHM CCc1cccc(C(=O)N(CC)C[C@H](C)C#N)c1[O-] ZINC000119018200 330368756 /nfs/dbraw/zinc/36/87/56/330368756.db2.gz WAVSCUOVMJARGD-LLVKDONJSA-N -1 3 260.337 2.576 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000119176899 330370720 /nfs/dbraw/zinc/37/07/20/330370720.db2.gz YQNNTIQXKLMRJP-UHFFFAOYSA-N -1 3 297.273 2.699 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000088474844 330376398 /nfs/dbraw/zinc/37/63/98/330376398.db2.gz XTGGGVYNVNDHNI-VIFPVBQESA-N -1 3 272.757 2.692 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000088474931 330376484 /nfs/dbraw/zinc/37/64/84/330376484.db2.gz BXDCDKTVHHNWFT-NSHDSACASA-N -1 3 266.366 2.854 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000088475591 330376686 /nfs/dbraw/zinc/37/66/86/330376686.db2.gz POLHDHSRMWBGRG-SNVBAGLBSA-N -1 3 272.757 2.692 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000537181517 330411820 /nfs/dbraw/zinc/41/18/20/330411820.db2.gz CAAAPJCZVBLJMT-SNVBAGLBSA-N -1 3 289.347 2.988 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccsc3)nc1-2 ZINC000429583620 330550494 /nfs/dbraw/zinc/55/04/94/330550494.db2.gz BSSZGMUEEDUWRF-JTQLQIEISA-N -1 3 282.328 2.818 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c([O-])c1 ZINC000436757219 330684541 /nfs/dbraw/zinc/68/45/41/330684541.db2.gz HOKDEKOURWTBBU-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM C=CCN(CCc1ccco1)C(=O)c1ccccc1[O-] ZINC000436946361 330689490 /nfs/dbraw/zinc/68/94/90/330689490.db2.gz IQCUVJKBDGDECZ-UHFFFAOYSA-N -1 3 271.316 2.856 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000447869980 330878993 /nfs/dbraw/zinc/87/89/93/330878993.db2.gz BAGIRFCROUOZKT-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@]3(C#N)C[C@H]3C)[nH][n-]2)c1 ZINC000449835306 330951642 /nfs/dbraw/zinc/95/16/42/330951642.db2.gz OJICYHHXWJIFAD-SJKOYZFVSA-N -1 3 294.358 2.604 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000452041174 331051720 /nfs/dbraw/zinc/05/17/20/331051720.db2.gz LQMLUTBSQSCNSI-UHFFFAOYSA-N -1 3 289.784 2.593 20 30 CFEDHM C=CCC1(CNC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000456485080 331193751 /nfs/dbraw/zinc/19/37/51/331193751.db2.gz JYHQFMSWFIQVCA-UHFFFAOYSA-N -1 3 266.366 2.715 20 30 CFEDHM CCc1cc(C(=O)NCC(C)(C)CC#N)ccc1[O-] ZINC000458046821 331241684 /nfs/dbraw/zinc/24/16/84/331241684.db2.gz WAESQBSRTWRSST-UHFFFAOYSA-N -1 3 260.337 2.624 20 30 CFEDHM CCN(CCC#N)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459366070 331278385 /nfs/dbraw/zinc/27/83/85/331278385.db2.gz TXGXFFFZJYOTGG-UHFFFAOYSA-N -1 3 282.347 2.585 20 30 CFEDHM CC1(C)CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@@H]1C#N ZINC000459426167 331280818 /nfs/dbraw/zinc/28/08/18/331280818.db2.gz NJNCMXDYHSZYCK-CYBMUJFWSA-N -1 3 286.379 2.574 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000166260023 331306884 /nfs/dbraw/zinc/30/68/84/331306884.db2.gz ICAHVMAGBABJCG-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM C=CCn1c(Cc2ccccc2C)n[n-]c1=NC(C)(C)C ZINC000463111198 331340557 /nfs/dbraw/zinc/34/05/57/331340557.db2.gz XRHQOJQKUMAPII-UHFFFAOYSA-N -1 3 284.407 2.996 20 30 CFEDHM C=CCn1cccc1C(=O)Nc1ccc([O-])cc1F ZINC000488914347 332033582 /nfs/dbraw/zinc/03/35/82/332033582.db2.gz QRXFJYGRIZSKGK-UHFFFAOYSA-N -1 3 260.268 2.771 20 30 CFEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000491657516 332268854 /nfs/dbraw/zinc/26/88/54/332268854.db2.gz ABYBMKPUDANXPH-NSHDSACASA-N -1 3 296.273 2.605 20 30 CFEDHM C#CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000491801015 332355553 /nfs/dbraw/zinc/35/55/53/332355553.db2.gz AXPFDKRUEZXPFV-UHFFFAOYSA-N -1 3 265.312 2.668 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(OCC)c(OC)c1 ZINC000493709520 332450840 /nfs/dbraw/zinc/45/08/40/332450840.db2.gz RRNRKRWYZDYWHQ-VPUINMBXSA-N -1 3 291.347 2.729 20 30 CFEDHM C=CCC(C)(C)CNC(=O)c1cc(OC)ccc1[O-] ZINC000312081605 333076194 /nfs/dbraw/zinc/07/61/94/333076194.db2.gz LYDPVIZSPAPNBH-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM COC(=O)N1CCC([C@H](C)/N=C/c2ccccc2[O-])CC1 ZINC000185916818 333151642 /nfs/dbraw/zinc/15/16/42/333151642.db2.gz OPUAIHIVTQGCSQ-OOIIIRTPSA-N -1 3 290.363 2.678 20 30 CFEDHM CCC(C#N)(CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000529384463 333484005 /nfs/dbraw/zinc/48/40/05/333484005.db2.gz BXSMXLVHDPDWEM-UHFFFAOYSA-N -1 3 274.320 2.863 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)Cc2ccccn2)c1 ZINC000155555415 334723878 /nfs/dbraw/zinc/72/38/78/334723878.db2.gz WSHIUBSYDPLCNR-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM N#CCCCOC(=O)c1cccc(Br)c1[O-] ZINC000730365789 574077905 /nfs/dbraw/zinc/07/79/05/574077905.db2.gz RMFJPYOGHWDJIN-UHFFFAOYSA-N -1 3 284.109 2.615 20 30 CFEDHM COc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1C#N ZINC000160656860 533809358 /nfs/dbraw/zinc/80/93/58/533809358.db2.gz UOBHSQSJHAHAMQ-FQEVSTJZSA-N -1 3 287.340 2.580 20 30 CFEDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126736870 533894558 /nfs/dbraw/zinc/89/45/58/533894558.db2.gz XRFBZEXXOXQQKZ-BXKDBHETSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049342307 518709082 /nfs/dbraw/zinc/70/90/82/518709082.db2.gz TVSNCXBKSIXVHR-SECBINFHSA-N -1 3 269.728 2.965 20 30 CFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000130495633 519101109 /nfs/dbraw/zinc/10/11/09/519101109.db2.gz VYVBYFDZKYKIEV-ZFWWWQNUSA-N -1 3 292.404 2.578 20 30 CFEDHM Cc1ccc2cc(C([O-])=C(C#N)c3ccncn3)ccc2n1 ZINC000354472738 534466192 /nfs/dbraw/zinc/46/61/92/534466192.db2.gz VAJGNAOCPZOIRU-CQSZACIVSA-N -1 3 288.310 2.823 20 30 CFEDHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230343723 520343111 /nfs/dbraw/zinc/34/31/11/520343111.db2.gz TXEJBJDEPJDBQR-SNVBAGLBSA-N -1 3 298.433 2.867 20 30 CFEDHM N#CC(=C([O-])c1cnc2ccc(F)cc2c1)c1ccncn1 ZINC000354466275 534740626 /nfs/dbraw/zinc/74/06/26/534740626.db2.gz MQDZSUGAXQATMJ-ZDUSSCGKSA-N -1 3 292.273 2.654 20 30 CFEDHM N#Cc1cccc(F)c1CC(=O)Nc1cccc([O-])c1F ZINC000336385932 526713881 /nfs/dbraw/zinc/71/38/81/526713881.db2.gz AZIUPCMMYLBPLA-UHFFFAOYSA-N -1 3 288.253 2.723 20 30 CFEDHM C=CC[C@H](C(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352508509 527122556 /nfs/dbraw/zinc/12/25/56/527122556.db2.gz NDOSNLIHGHAVGD-AWEZNQCLSA-N -1 3 282.343 2.763 20 30 CFEDHM CC1CCC(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329963200 528174291 /nfs/dbraw/zinc/17/42/91/528174291.db2.gz TWXOCQYNEDRVBO-UHFFFAOYSA-N -1 3 254.355 2.980 20 30 CFEDHM CCN(C[C@@H](C)C#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345012799 528615349 /nfs/dbraw/zinc/61/53/49/528615349.db2.gz GSSSZJYXMBUIRO-LBPRGKRZSA-N -1 3 292.354 2.862 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CC1CC1 ZINC000744028212 574049683 /nfs/dbraw/zinc/04/96/83/574049683.db2.gz IGUMZLXMTASROA-TVRMLOFPSA-N -1 3 288.734 2.954 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CC1CC1 ZINC000744028214 574049711 /nfs/dbraw/zinc/04/97/11/574049711.db2.gz IGUMZLXMTASROA-WSKFYRRCSA-N -1 3 288.734 2.954 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CC1CC1 ZINC000744028211 574049830 /nfs/dbraw/zinc/04/98/30/574049830.db2.gz IGUMZLXMTASROA-SKVAFPRGSA-N -1 3 288.734 2.954 20 30 CFEDHM Cc1csc([C@H](C)/N=C\c2ccc(O)c([O-])c2O)n1 ZINC000727653733 574059101 /nfs/dbraw/zinc/05/91/01/574059101.db2.gz YEKQFURPTKRPGI-GANOQGBBSA-N -1 3 278.333 2.748 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1cccc(F)c1F ZINC000753959050 574059712 /nfs/dbraw/zinc/05/97/12/574059712.db2.gz CVSJMYHNIWJAFE-UHFFFAOYSA-N -1 3 291.232 2.872 20 30 CFEDHM N#CCN1CCC(/N=C/c2c([O-])ccc3ccccc32)CC1 ZINC000730434876 574081468 /nfs/dbraw/zinc/08/14/68/574081468.db2.gz UIODMPSBUAJLFG-DEDYPNTBSA-N -1 3 293.370 2.952 20 30 CFEDHM CC(C)N1CC(N=Nc2ccccc2C(=O)[O-])[C@@H](C)C1 ZINC000754258916 574084725 /nfs/dbraw/zinc/08/47/25/574084725.db2.gz ONFGHKAGLUVTKX-NSHDSACASA-N -1 3 275.352 2.513 20 30 CFEDHM COC(=O)[C@H](Cc1ccccc1)/N=C\c1ccccc1[O-] ZINC000730546710 574086995 /nfs/dbraw/zinc/08/69/95/574086995.db2.gz HCGCFDDYSGYFSL-BRYHAGSVSA-N -1 3 283.327 2.595 20 30 CFEDHM Cc1ccc2c(c1C)OC[C@H]2/N=C\c1ccc(O)c([O-])c1O ZINC000728226025 574087531 /nfs/dbraw/zinc/08/75/31/574087531.db2.gz DSPMILDVHLUDBM-OABKPEDSSA-N -1 3 299.326 2.973 20 30 CFEDHM COc1cccc([O-])c1C=Nc1ccc2[nH]c(=O)ccc2c1 ZINC000728438522 574096508 /nfs/dbraw/zinc/09/65/08/574096508.db2.gz YQYDRBKMKVSDAG-UHFFFAOYSA-N -1 3 294.310 2.993 20 30 CFEDHM C#CCOc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000730980951 574106368 /nfs/dbraw/zinc/10/63/68/574106368.db2.gz ZULGZFCRBYTPGJ-UHFFFAOYSA-N -1 3 281.311 2.965 20 30 CFEDHM COc1ccc([C@H](C)/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000745623649 574120744 /nfs/dbraw/zinc/12/07/44/574120744.db2.gz AEQSOMQPCQDWPJ-VJCPFXPRSA-N -1 3 287.315 2.992 20 30 CFEDHM N#Cc1ccc(OCCOC(=O)c2cc([O-])cs2)cc1 ZINC000731909579 574133203 /nfs/dbraw/zinc/13/32/03/574133203.db2.gz FFLYZGBJGQHHJZ-UHFFFAOYSA-N -1 3 289.312 2.561 20 30 CFEDHM Cc1cc(NN=Cc2cc(Cl)ccc2[O-])ncn1 ZINC000731935880 574135605 /nfs/dbraw/zinc/13/56/05/574135605.db2.gz UZTVBZZZHSFURU-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM CCN(CC)c1ccc(C=[NH+][N-]c2cc(C)ncn2)c([O-])c1 ZINC000731935078 574135938 /nfs/dbraw/zinc/13/59/38/574135938.db2.gz QZEIPXZMLCHEBN-UHFFFAOYSA-N -1 3 299.378 2.783 20 30 CFEDHM COc1cccc([O-])c1/C=N/CCOC(C)(C)C ZINC000746681025 574162884 /nfs/dbraw/zinc/16/28/84/574162884.db2.gz DGEBDIQHQKLYQP-XNTDXEJSSA-N -1 3 251.326 2.635 20 30 CFEDHM CCOc1ccc(/C=N/CCC(=O)OC(C)C)c([O-])c1 ZINC000732770284 574170859 /nfs/dbraw/zinc/17/08/59/574170859.db2.gz ZSMPKWLPQMLSCU-MHWRWJLKSA-N -1 3 279.336 2.552 20 30 CFEDHM COc1cccc(NN=Cc2cc(F)ccc2[O-])c1 ZINC000755608107 574171291 /nfs/dbraw/zinc/17/12/91/574171291.db2.gz GQDADDCFGNCTQP-UHFFFAOYSA-N -1 3 260.268 2.986 20 30 CFEDHM Cc1nc(C#N)c(N=NCc2c([O-])cccc2Cl)o1 ZINC000755662030 574176281 /nfs/dbraw/zinc/17/62/81/574176281.db2.gz UXSXESXNCUPMTO-UHFFFAOYSA-N -1 3 276.683 2.660 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNC(=S)NCC1CCC1 ZINC000755688970 574177953 /nfs/dbraw/zinc/17/79/53/574177953.db2.gz HKJDQQQUOOUQMM-UHFFFAOYSA-N -1 3 297.811 2.644 20 30 CFEDHM CC(C)OC(=O)C/N=C\c1c([O-])ccc2ccccc21 ZINC000729148466 574179411 /nfs/dbraw/zinc/17/94/11/574179411.db2.gz AMAWYZJJZHSYOL-MFOYZWKCSA-N -1 3 271.316 2.916 20 30 CFEDHM COc1ccc(CCNN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755733729 574182461 /nfs/dbraw/zinc/18/24/61/574182461.db2.gz NEUDOHQRYWXSHE-UHFFFAOYSA-N -1 3 288.322 2.706 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NO[C@H]1CCCCO1 ZINC000755817364 574189566 /nfs/dbraw/zinc/18/95/66/574189566.db2.gz KIACAQBRPSCFTQ-LBPRGKRZSA-N -1 3 255.701 2.923 20 30 CFEDHM COc1ccc(F)c(N=Cc2cccc([O-])c2O)c1 ZINC000755032587 574195035 /nfs/dbraw/zinc/19/50/35/574195035.db2.gz YESHCISMGVJYPK-UHFFFAOYSA-N -1 3 261.252 2.996 20 30 CFEDHM CCCN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739359395 574209812 /nfs/dbraw/zinc/20/98/12/574209812.db2.gz LBGKNFGBIGXHNI-OAHLLOKOSA-N -1 3 287.363 2.523 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC(C)Cc2ccsc2)n1 ZINC000729631078 574225740 /nfs/dbraw/zinc/22/57/40/574225740.db2.gz FPRAOKUOFAZTFD-UHFFFAOYSA-N -1 3 262.338 2.583 20 30 CFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C1CCC1 ZINC000748115724 574229978 /nfs/dbraw/zinc/22/99/78/574229978.db2.gz VCKHUIGINKBHFE-CQSZACIVSA-N -1 3 267.328 2.796 20 30 CFEDHM Cc1nc(C#N)c(N=NC(C)c2ccc([O-])cc2F)o1 ZINC000729933237 574238380 /nfs/dbraw/zinc/23/83/80/574238380.db2.gz UZIBCBGALAWCKC-UHFFFAOYSA-N -1 3 274.255 2.536 20 30 CFEDHM CN(C(=O)C/N=C\c1ccccc1[O-])C1CCCCC1 ZINC000748285869 574245199 /nfs/dbraw/zinc/24/51/99/574245199.db2.gz NTENCMSLBXLLQP-BOPFTXTBSA-N -1 3 274.364 2.602 20 30 CFEDHM O=C1CCCCN1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000730147945 574255612 /nfs/dbraw/zinc/25/56/12/574255612.db2.gz WZPZSWHXCCDJMQ-GZTJUZNOSA-N -1 3 294.782 2.867 20 30 CFEDHM CC(=NNCC(F)F)c1cc(Br)ccc1[O-] ZINC000740615831 574257883 /nfs/dbraw/zinc/25/78/83/574257883.db2.gz DEBQPINOCBEOSZ-UHFFFAOYSA-N -1 3 293.111 2.733 20 30 CFEDHM C#CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000756846558 574268100 /nfs/dbraw/zinc/26/81/00/574268100.db2.gz KQERXVKMIJICTP-BCUAHEQISA-N -1 3 294.354 2.771 20 30 CFEDHM C=C(Br)CNC(=O)c1cc(CC)ccc1[O-] ZINC000748843263 574271547 /nfs/dbraw/zinc/27/15/47/574271547.db2.gz HZGXSRXNLYJKMV-UHFFFAOYSA-N -1 3 284.153 2.593 20 30 CFEDHM [O-]c1c(O)cccc1C=NNc1cc(F)c(F)cc1F ZINC000734301724 574281049 /nfs/dbraw/zinc/28/10/49/574281049.db2.gz MKRZNWGTXUHNCI-UHFFFAOYSA-N -1 3 282.221 2.961 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCCc2nc(C)ncc21 ZINC000734753294 574301501 /nfs/dbraw/zinc/30/15/01/574301501.db2.gz RCMXRUGSJHKFFM-LEBHLANCSA-N -1 3 297.358 2.996 20 30 CFEDHM C=CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742220467 574319195 /nfs/dbraw/zinc/31/91/95/574319195.db2.gz NNVLPRQBEJUMFZ-VMPITWQZSA-N -1 3 254.289 2.917 20 30 CFEDHM C=C(C)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735402537 574323824 /nfs/dbraw/zinc/32/38/24/574323824.db2.gz WAHCINLOGIJERI-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=C(C)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735402537 574323826 /nfs/dbraw/zinc/32/38/26/574323826.db2.gz WAHCINLOGIJERI-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCCSCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735416912 574324768 /nfs/dbraw/zinc/32/47/68/574324768.db2.gz TZYBTTFEPMQRFQ-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=CCCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735416912 574324769 /nfs/dbraw/zinc/32/47/69/574324769.db2.gz TZYBTTFEPMQRFQ-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM N#Cc1cccc(COC(=O)c2ccc(F)cc2[O-])c1 ZINC000750148109 574327697 /nfs/dbraw/zinc/32/76/97/574327697.db2.gz XVYFLUMKOVUEAH-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM N#Cc1ccc(COC(=O)c2ccc(F)cc2[O-])cc1 ZINC000750147243 574327823 /nfs/dbraw/zinc/32/78/23/574327823.db2.gz VQGYRWKINQHYMM-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM COc1cc(/C=C/C(=O)c2nccn2C)cc(Cl)c1[O-] ZINC000735793155 574335953 /nfs/dbraw/zinc/33/59/53/574335953.db2.gz RDFAYJNBATVNDV-ONEGZZNKSA-N -1 3 292.722 2.684 20 30 CFEDHM Cc1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2n1C ZINC000743045144 574352542 /nfs/dbraw/zinc/35/25/42/574352542.db2.gz BEMIFYFKAXBKBF-UHFFFAOYSA-N -1 3 297.314 2.749 20 30 CFEDHM Clc1ccc2c(c1)CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000743438083 574364350 /nfs/dbraw/zinc/36/43/50/574364350.db2.gz JRSWBDCGPVIXIC-UHFFFAOYSA-N -1 3 298.737 2.769 20 30 CFEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc([O-])c(F)c1 ZINC000751528342 574378466 /nfs/dbraw/zinc/37/84/66/574378466.db2.gz BBDUEVPTPORJRG-MRVPVSSYSA-N -1 3 295.383 2.518 20 30 CFEDHM CC1(C)CCCCC1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820596917 607254181 /nfs/dbraw/zinc/25/41/81/607254181.db2.gz UVNINHPLUNHSKR-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC1(C)CCCCC1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820596917 607254182 /nfs/dbraw/zinc/25/41/82/607254182.db2.gz UVNINHPLUNHSKR-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C(F)F)n1 ZINC000900094581 620637064 /nfs/dbraw/zinc/63/70/64/620637064.db2.gz QQDJVAOWMKIEGB-UHFFFAOYSA-N -1 3 299.252 2.528 20 30 CFEDHM O=C(c1ccc([N+](=O)[O-])cc1)N([O-])Cc1ccc(F)cc1 ZINC000900095631 620637199 /nfs/dbraw/zinc/63/71/99/620637199.db2.gz HGNANFPSVXNUHV-UHFFFAOYSA-N -1 3 290.250 2.766 20 30 CFEDHM O=C(c1cnccn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096869 620637589 /nfs/dbraw/zinc/63/75/89/620637589.db2.gz SBUUCDKJQQNLNM-UHFFFAOYSA-N -1 3 298.129 2.815 20 30 CFEDHM O=C(c1csc([N+](=O)[O-])c1)N([O-])Cc1ccc(F)cc1 ZINC000900096311 620637638 /nfs/dbraw/zinc/63/76/38/620637638.db2.gz YYFJNLINKLHIHV-UHFFFAOYSA-N -1 3 296.279 2.827 20 30 CFEDHM N#CCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000821324823 598203853 /nfs/dbraw/zinc/20/38/53/598203853.db2.gz RNYDPOGCLRGDBP-UHFFFAOYSA-N -1 3 296.326 2.577 20 30 CFEDHM C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1C ZINC000833613120 604611011 /nfs/dbraw/zinc/61/10/11/604611011.db2.gz DJAXQUPBHKJOCL-VXGBXAGGSA-N -1 3 272.348 2.877 20 30 CFEDHM C[C@@H](CNC(=O)[O-])N(C)Cc1ccccc1C(C)(C)C#N ZINC000824966319 605277774 /nfs/dbraw/zinc/27/77/74/605277774.db2.gz DDAGMBJXQVVFTD-LBPRGKRZSA-N -1 3 289.379 2.576 20 30 CFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2ccccc21 ZINC000823503767 606303683 /nfs/dbraw/zinc/30/36/83/606303683.db2.gz IQFYWGRENSDNLE-POHAHGRESA-N -1 3 294.339 2.751 20 30 CFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2ccccc21 ZINC000823503767 606303685 /nfs/dbraw/zinc/30/36/85/606303685.db2.gz IQFYWGRENSDNLE-POHAHGRESA-N -1 3 294.339 2.751 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C#N)c1 ZINC000822221269 606454645 /nfs/dbraw/zinc/45/46/45/606454645.db2.gz HYEPTWORACIAMS-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1 ZINC000822221269 606454646 /nfs/dbraw/zinc/45/46/46/606454646.db2.gz HYEPTWORACIAMS-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM C#CCCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819692318 606947406 /nfs/dbraw/zinc/94/74/06/606947406.db2.gz CEOAHKFCLOZZIS-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C#CCCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819692318 606947407 /nfs/dbraw/zinc/94/74/07/606947407.db2.gz CEOAHKFCLOZZIS-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C=C(C)CSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819722425 607033891 /nfs/dbraw/zinc/03/38/91/607033891.db2.gz JAHUFIAIXWFQFS-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=C(C)CSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819722425 607033893 /nfs/dbraw/zinc/03/38/93/607033893.db2.gz JAHUFIAIXWFQFS-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM Cc1ccc(F)c(NN=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822240225 607111535 /nfs/dbraw/zinc/11/15/35/607111535.db2.gz XZOKEIZBPUXMAQ-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000138921388 607882136 /nfs/dbraw/zinc/88/21/36/607882136.db2.gz LSPFQBGLWRHMDX-ZHACJKMWSA-N -1 3 276.299 2.763 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000138921388 607882137 /nfs/dbraw/zinc/88/21/37/607882137.db2.gz LSPFQBGLWRHMDX-ZHACJKMWSA-N -1 3 276.299 2.763 20 30 CFEDHM c1ccc(CCCN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823868207 607885791 /nfs/dbraw/zinc/88/57/91/607885791.db2.gz QXVGRTKBZWVMEN-UHFFFAOYSA-N -1 3 292.346 2.897 20 30 CFEDHM c1ccc(CCCN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823868207 607885792 /nfs/dbraw/zinc/88/57/92/607885792.db2.gz QXVGRTKBZWVMEN-UHFFFAOYSA-N -1 3 292.346 2.897 20 30 CFEDHM CCC[C@@H](C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825233988 607885855 /nfs/dbraw/zinc/88/58/55/607885855.db2.gz UIWFWCXTXWOYOC-SNVBAGLBSA-N -1 3 258.329 2.701 20 30 CFEDHM CCC[C@@H](C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825233988 607885856 /nfs/dbraw/zinc/88/58/56/607885856.db2.gz UIWFWCXTXWOYOC-SNVBAGLBSA-N -1 3 258.329 2.701 20 30 CFEDHM CC(CC1CC1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824393585 608535697 /nfs/dbraw/zinc/53/56/97/608535697.db2.gz SYNJJZHLMILSLF-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM CC(CC1CC1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824393585 608535698 /nfs/dbraw/zinc/53/56/98/608535698.db2.gz SYNJJZHLMILSLF-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM CC(C)(CCC#N)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000824152958 608865026 /nfs/dbraw/zinc/86/50/26/608865026.db2.gz VWUFGUBZLYEGOL-UHFFFAOYSA-N -1 3 270.340 2.609 20 30 CFEDHM C=C(C)CN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823877843 609318284 /nfs/dbraw/zinc/31/82/84/609318284.db2.gz HSJLIPXNTHAKIF-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM C=C(C)CN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823877843 609318286 /nfs/dbraw/zinc/31/82/86/609318286.db2.gz HSJLIPXNTHAKIF-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM CC(C)[C@@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000900679603 620701800 /nfs/dbraw/zinc/70/18/00/620701800.db2.gz SGJCKQLAHRSFFP-HIFRSBDPSA-N -1 3 295.354 2.995 20 30 CFEDHM Cc1c(C#N)cccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826234310 609486343 /nfs/dbraw/zinc/48/63/43/609486343.db2.gz QDELRBFFRSAKIL-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM Cc1c(C#N)cccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826234310 609486344 /nfs/dbraw/zinc/48/63/44/609486344.db2.gz QDELRBFFRSAKIL-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM CCOC(=O)[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000175900117 618051957 /nfs/dbraw/zinc/05/19/57/618051957.db2.gz NRIAIKSPIZVVMU-KOLYXTFFSA-N -1 3 269.728 2.664 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C(C)C)n[n-]2)o1 ZINC000176037891 617690808 /nfs/dbraw/zinc/69/08/08/617690808.db2.gz PFGVHHNGMCUJOD-CYBMUJFWSA-N -1 3 273.292 2.683 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C(C)C)[n-]n2)o1 ZINC000176037891 617690810 /nfs/dbraw/zinc/69/08/10/617690810.db2.gz PFGVHHNGMCUJOD-CYBMUJFWSA-N -1 3 273.292 2.683 20 30 CFEDHM C#C[C@H]1CCCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000890651465 617737051 /nfs/dbraw/zinc/73/70/51/617737051.db2.gz PSNNRTMJPKIDNO-ZDUSSCGKSA-N -1 3 257.333 2.583 20 30 CFEDHM C#C[C@H]1CCCCN1C(=O)c1cccc(CC)c1[O-] ZINC000890651885 617737941 /nfs/dbraw/zinc/73/79/41/617737941.db2.gz YUINSTKIQVZEEX-ZDUSSCGKSA-N -1 3 257.333 2.583 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2ccc(C)nc2s1 ZINC000932687840 617937230 /nfs/dbraw/zinc/93/72/30/617937230.db2.gz FVWBAHCYBRAPPR-QMMMGPOBSA-N -1 3 278.337 2.627 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NO[C@H]2CCCCO2)c1 ZINC000901204296 620764591 /nfs/dbraw/zinc/76/45/91/620764591.db2.gz AWMCELNUNACDCC-LBPRGKRZSA-N -1 3 255.701 2.923 20 30 CFEDHM CC(C)OCCON=Cc1cc([O-])cc(Cl)c1 ZINC000901246260 620771260 /nfs/dbraw/zinc/77/12/60/620771260.db2.gz MMRMEKBRULMTPA-UHFFFAOYSA-N -1 3 257.717 2.821 20 30 CFEDHM NC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255669689 618257647 /nfs/dbraw/zinc/25/76/47/618257647.db2.gz XVTMAOXFPOZIMW-UHFFFAOYSA-N -1 3 274.707 2.895 20 30 CFEDHM CCCCCCCC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC000788176638 618263977 /nfs/dbraw/zinc/26/39/77/618263977.db2.gz SGJIUOHDLMEGQO-UHFFFAOYSA-N -1 3 281.356 2.885 20 30 CFEDHM CCCCCCCC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC000788176638 618263978 /nfs/dbraw/zinc/26/39/78/618263978.db2.gz SGJIUOHDLMEGQO-UHFFFAOYSA-N -1 3 281.356 2.885 20 30 CFEDHM COc1cc(C(=O)/C=C\c2c(C)noc2C)ccc1[O-] ZINC000255786385 618321628 /nfs/dbraw/zinc/32/16/28/618321628.db2.gz ZJTHTNXNYGKPPR-ALCCZGGFSA-N -1 3 273.288 2.902 20 30 CFEDHM CSC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371692 620796857 /nfs/dbraw/zinc/79/68/57/620796857.db2.gz HSKBNCIVJQWDGA-UHFFFAOYSA-N -1 3 257.330 2.685 20 30 CFEDHM CC(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255846455 618340716 /nfs/dbraw/zinc/34/07/16/618340716.db2.gz QQAMUIOVGPIGLE-UHFFFAOYSA-N -1 3 286.287 2.512 20 30 CFEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000901372145 620797362 /nfs/dbraw/zinc/79/73/62/620797362.db2.gz RZOLFECBNAWSEQ-SMDDNHRTSA-N -1 3 281.327 2.749 20 30 CFEDHM Cc1noc(C)c1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376499 620798456 /nfs/dbraw/zinc/79/84/56/620798456.db2.gz VLIGXBSORFFRMU-UHFFFAOYSA-N -1 3 292.310 2.781 20 30 CFEDHM N#CCc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 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C=CCC(C)(C)c1noc(-c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000906120641 621933599 /nfs/dbraw/zinc/93/35/99/621933599.db2.gz URSOQTGYRGWHGR-UHFFFAOYSA-N -1 3 286.335 2.963 20 30 CFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Oc2ccccc21 ZINC000823504262 623335732 /nfs/dbraw/zinc/33/57/32/623335732.db2.gz NWWBTPVYUJXJTG-WUXMJOGZSA-N -1 3 296.311 2.544 20 30 CFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Oc2ccccc21 ZINC000823504262 623335737 /nfs/dbraw/zinc/33/57/37/623335737.db2.gz NWWBTPVYUJXJTG-WUXMJOGZSA-N -1 3 296.311 2.544 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000824034123 623437416 /nfs/dbraw/zinc/43/74/16/623437416.db2.gz XRBPTRJWDIUJJH-YUELXQCFSA-N -1 3 259.349 2.878 20 30 CFEDHM C[C@@H](C#N)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824034431 623437360 /nfs/dbraw/zinc/43/73/60/623437360.db2.gz JQHDSLVLAPFTFM-LURJTMIESA-N -1 3 299.281 2.890 20 30 CFEDHM C[C@@H](C#N)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824034431 623437364 /nfs/dbraw/zinc/43/73/64/623437364.db2.gz 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280.755 2.790 20 30 CFEDHM Cc1cc([O-])c(CN2CC[C@H](C#N)C2)cc1Br ZINC001237680709 779160151 /nfs/dbraw/zinc/16/01/51/779160151.db2.gz DUQNJERHVCKFPN-SNVBAGLBSA-N -1 3 295.180 2.809 20 30 CFEDHM COc1ncccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001239859391 779827826 /nfs/dbraw/zinc/82/78/26/779827826.db2.gz PMFPDCHRQLTMTL-VKAVYKQESA-N -1 3 254.289 2.882 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC001240156873 779977060 /nfs/dbraw/zinc/97/70/60/779977060.db2.gz HYRROUQICQRYQN-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC001240156873 779977071 /nfs/dbraw/zinc/97/70/71/779977071.db2.gz HYRROUQICQRYQN-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM CCO[C@H](C)n1cc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001240757689 780420715 /nfs/dbraw/zinc/42/07/15/780420715.db2.gz KKGORKREPKBOEO-FNQVVVRFSA-N -1 3 259.309 2.913 20 30 CFEDHM C=CCNC(=O)c1cccnc1-c1ccc(C)cc1[O-] ZINC001241036307 780606993 /nfs/dbraw/zinc/60/69/93/780606993.db2.gz TVDNVAPUTHAYDE-UHFFFAOYSA-N -1 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VIBAGOYQROFOPS-VCHYOVAHSA-N -1 3 282.278 2.882 20 30 CFEDHM Cc1cc(C#N)cc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001242480043 781533501 /nfs/dbraw/zinc/53/35/01/781533501.db2.gz XGQUUQAGRZYNNF-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)cc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001242480043 781533506 /nfs/dbraw/zinc/53/35/06/781533506.db2.gz XGQUUQAGRZYNNF-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM CN1c2ccc(-c3ccc([O-])c(C#N)c3)cc2CNC1=O ZINC001242566973 781606240 /nfs/dbraw/zinc/60/62/40/781606240.db2.gz NROFJGUJHJFJMB-UHFFFAOYSA-N -1 3 279.299 2.590 20 30 CFEDHM CCOC(=O)c1cnc(-c2cc([O-])ccc2F)c(C#N)c1 ZINC001242762915 781747420 /nfs/dbraw/zinc/74/74/20/781747420.db2.gz NSGXTJVGAKCCAX-UHFFFAOYSA-N -1 3 286.262 2.642 20 30 CFEDHM CCc1[nH]nc2ncc(-c3cccc(/C=N/[O-])c3)cc12 ZINC001242824732 781780809 /nfs/dbraw/zinc/78/08/09/781780809.db2.gz CXOGWYYTIPTUKV-CAOOACKPSA-N -1 3 266.304 2.995 20 30 CFEDHM N#CCC1(CSc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000594887060 349493952 /nfs/dbraw/zinc/49/39/52/349493952.db2.gz FOEUJHLXHBTYOI-UHFFFAOYSA-N -1 3 271.349 2.653 20 30 CFEDHM N#CC1(C[N-]S(=O)(=O)c2ccccc2F)CCCCC1 ZINC000594869913 349491660 /nfs/dbraw/zinc/49/16/60/349491660.db2.gz VAPFCQQFRACDAM-UHFFFAOYSA-N -1 3 296.367 2.578 20 30 CFEDHM COCc1nc(S[C@@H](C#N)c2ccc(Cl)cc2)n[n-]1 ZINC000594892234 349496021 /nfs/dbraw/zinc/49/60/21/349496021.db2.gz RMCZISHDKCWXDI-JTQLQIEISA-N -1 3 294.767 2.961 20 30 CFEDHM CCCCO[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068541626 346858758 /nfs/dbraw/zinc/85/87/58/346858758.db2.gz WSHHWYYXZQXVRZ-LURJTMIESA-N -1 3 280.250 2.617 20 30 CFEDHM CCCCO[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068541626 346858759 /nfs/dbraw/zinc/85/87/59/346858759.db2.gz WSHHWYYXZQXVRZ-LURJTMIESA-N -1 3 280.250 2.617 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2conc2COC)s1 ZINC000425444043 529510114 /nfs/dbraw/zinc/51/01/14/529510114.db2.gz BKNJTCSNGPYHGD-UHFFFAOYSA-N -1 3 291.332 2.569 20 30 CFEDHM CCn1cnnc1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000329129882 529599043 /nfs/dbraw/zinc/59/90/43/529599043.db2.gz WLGIWMYCVXZZQH-UHFFFAOYSA-N -1 3 275.312 2.580 20 30 CFEDHM CN(CC(C)(C)C#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000353292659 529841719 /nfs/dbraw/zinc/84/17/19/529841719.db2.gz YYHVQZFPTXIMAE-UHFFFAOYSA-N -1 3 280.755 2.596 20 30 CFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC)cc1[O-] ZINC000442704228 539378954 /nfs/dbraw/zinc/37/89/54/539378954.db2.gz PWPYHOQSOPSZNL-OAHLLOKOSA-N -1 3 279.336 2.568 20 30 CFEDHM CCC(C#N)(CC)C(=O)Nc1cccc([O-])c1F ZINC000528920356 383677614 /nfs/dbraw/zinc/67/76/14/383677614.db2.gz SPVLOIHJLPIUQZ-UHFFFAOYSA-N -1 3 250.273 2.800 20 30 CFEDHM CCCOc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000088485321 260232888 /nfs/dbraw/zinc/23/28/88/260232888.db2.gz SXSBETZFSLVWLA-ZDUSSCGKSA-N -1 3 282.365 2.519 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCCCC2)c(Cl)c1 ZINC000169258154 232262086 /nfs/dbraw/zinc/26/20/86/232262086.db2.gz ZGBDSZRKRHGOBT-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(F)c2)nc(C)n1 ZINC000041574182 346353015 /nfs/dbraw/zinc/35/30/15/346353015.db2.gz BGNUYQXMBLJCTD-ZDUSSCGKSA-N -1 3 269.279 2.723 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574276 346353241 /nfs/dbraw/zinc/35/32/41/346353241.db2.gz ZTFAMBYLADBARW-CQSZACIVSA-N -1 3 265.316 2.892 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CCC(C#N)CC2)c([O-])c1 ZINC000061637279 346681755 /nfs/dbraw/zinc/68/17/55/346681755.db2.gz GKQJLRINXOBQMZ-UHFFFAOYSA-N -1 3 272.348 2.891 20 30 CFEDHM CC(C)c1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)n[nH]1 ZINC000076462179 347139942 /nfs/dbraw/zinc/13/99/42/347139942.db2.gz ZVBQLMADXDVYOE-UHFFFAOYSA-N -1 3 286.295 2.548 20 30 CFEDHM CC(C)c1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)n[nH]1 ZINC000076462179 347139945 /nfs/dbraw/zinc/13/99/45/347139945.db2.gz ZVBQLMADXDVYOE-UHFFFAOYSA-N -1 3 286.295 2.548 20 30 CFEDHM CC(C)c1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)n[nH]1 ZINC000076462179 347139947 /nfs/dbraw/zinc/13/99/47/347139947.db2.gz ZVBQLMADXDVYOE-UHFFFAOYSA-N -1 3 286.295 2.548 20 30 CFEDHM CCCSCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000076462443 347140347 /nfs/dbraw/zinc/14/03/47/347140347.db2.gz PLSKCJGPECRXNV-UHFFFAOYSA-N -1 3 266.326 2.796 20 30 CFEDHM CCCSCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000076462443 347140352 /nfs/dbraw/zinc/14/03/52/347140352.db2.gz PLSKCJGPECRXNV-UHFFFAOYSA-N -1 3 266.326 2.796 20 30 CFEDHM CCCSCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000076462443 347140358 /nfs/dbraw/zinc/14/03/58/347140358.db2.gz PLSKCJGPECRXNV-UHFFFAOYSA-N -1 3 266.326 2.796 20 30 CFEDHM COc1cccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000078266717 347237086 /nfs/dbraw/zinc/23/70/86/347237086.db2.gz OFIAOKMTHXBXBR-NSHDSACASA-N -1 3 296.326 2.763 20 30 CFEDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151004567 347958629 /nfs/dbraw/zinc/95/86/29/347958629.db2.gz VHKZEUSITFFKBW-GXFFZTMASA-N -1 3 296.367 2.554 20 30 CFEDHM CCCc1nc(C(=O)[N-]c2sccc2C#N)co1 ZINC000282531305 348344026 /nfs/dbraw/zinc/34/40/26/348344026.db2.gz HICOUZQPTZIRLY-UHFFFAOYSA-N -1 3 261.306 2.813 20 30 CFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(SC)ccc1[O-] ZINC000596823014 349993887 /nfs/dbraw/zinc/99/38/87/349993887.db2.gz MUQPRDADRQJSFI-SNVBAGLBSA-N -1 3 278.377 2.736 20 30 CFEDHM Cc1cccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1[O-] ZINC000590317984 348893373 /nfs/dbraw/zinc/89/33/73/348893373.db2.gz QHDNIXPXJLWWFR-UHFFFAOYSA-N -1 3 295.342 2.891 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)CC2(C#N)CC2)c1[O-] ZINC000590317469 348893431 /nfs/dbraw/zinc/89/34/31/348893431.db2.gz HVFQTPQSWZQMBZ-UHFFFAOYSA-N -1 3 264.712 2.986 20 30 CFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593535172 349291051 /nfs/dbraw/zinc/29/10/51/349291051.db2.gz JNNLKNSOWACINU-MNOVXSKESA-N -1 3 298.433 2.724 20 30 CFEDHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593604574 349297265 /nfs/dbraw/zinc/29/72/65/349297265.db2.gz BFVDGTGNQIWEEQ-SECBINFHSA-N -1 3 286.422 2.723 20 30 CFEDHM C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593606509 349297473 /nfs/dbraw/zinc/29/74/73/349297473.db2.gz TZDMMJDEAIQAEG-GWCFXTLKSA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H]1CC1(C)C ZINC000593609925 349298144 /nfs/dbraw/zinc/29/81/44/349298144.db2.gz VPKXEJKXTNAOSX-NXEZZACHSA-N -1 3 298.433 2.723 20 30 CFEDHM CCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCC1 ZINC000593607855 349298254 /nfs/dbraw/zinc/29/82/54/349298254.db2.gz OUYUAKOOTHYTAF-LLVKDONJSA-N -1 3 298.433 2.867 20 30 CFEDHM CCC(C#N)=C([O-])N=c1cc(C)n(C2CCCCC2)[nH]1 ZINC000593715009 349313944 /nfs/dbraw/zinc/31/39/44/349313944.db2.gz FWIPFMFDAADOGK-GFCCVEGCSA-N -1 3 274.368 2.607 20 30 CFEDHM N#CCCCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000594421927 349416828 /nfs/dbraw/zinc/41/68/28/349416828.db2.gz WKMSMUOCDAUCPL-UHFFFAOYSA-N -1 3 287.298 2.633 20 30 CFEDHM C[C@@]1(C#N)CCN(Cc2cc([O-])ccc2Br)C1 ZINC000597229594 350063838 /nfs/dbraw/zinc/06/38/38/350063838.db2.gz MXNOBWYESCAONR-ZDUSSCGKSA-N -1 3 295.180 2.890 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000597501945 350105949 /nfs/dbraw/zinc/10/59/49/350105949.db2.gz 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/nfs/dbraw/zinc/32/74/23/350327423.db2.gz FVMNYPMXQALHCM-ZDUSSCGKSA-N -1 3 298.264 2.787 20 30 CFEDHM C=CCN(CCC#N)Cc1cc([O-])ccc1Cl ZINC000599428409 350435729 /nfs/dbraw/zinc/43/57/29/350435729.db2.gz JAGIKVHXPWPFMM-UHFFFAOYSA-N -1 3 250.729 2.947 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000599360728 350423111 /nfs/dbraw/zinc/42/31/11/350423111.db2.gz PPTMSKWQEVVTQA-UHFFFAOYSA-N -1 3 296.367 2.578 20 30 CFEDHM Cc1cccc([O-])c1C(=O)NCC(C)(C)CCC#N ZINC000599941971 350500236 /nfs/dbraw/zinc/50/02/36/350500236.db2.gz MVWAZYXZLUJBLA-UHFFFAOYSA-N -1 3 260.337 2.760 20 30 CFEDHM CCc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)ccc1[O-] ZINC000601811251 350781108 /nfs/dbraw/zinc/78/11/08/350781108.db2.gz BKNXBAJMLPWSNQ-KGLIPLIRSA-N -1 3 272.348 2.719 20 30 CFEDHM CCc1cccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1[O-] ZINC000601823073 350786600 /nfs/dbraw/zinc/78/66/00/350786600.db2.gz VCTYOBIWSSJDAM-GXTWGEPZSA-N -1 3 272.348 2.719 20 30 CFEDHM CCc1c(-c2cccc(C)c2)[n-]n([C@@H](C)CC#N)c1=O 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C=CCN(C(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000613239583 351922540 /nfs/dbraw/zinc/92/25/40/351922540.db2.gz UHWHKGRIBZPDGU-UHFFFAOYSA-N -1 3 263.362 2.905 20 30 CFEDHM C=C(CC)CNC(=O)c1cc(SC)ccc1[O-] ZINC000616115016 352286531 /nfs/dbraw/zinc/28/65/31/352286531.db2.gz GJHOLCNTAXFUSN-UHFFFAOYSA-N -1 3 251.351 2.810 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000619166423 352970533 /nfs/dbraw/zinc/97/05/33/352970533.db2.gz MLATZDVTYXLPQM-NWDGAFQWSA-N -1 3 282.347 2.774 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1ccc(OC)cc1[O-] ZINC000620863439 353243079 /nfs/dbraw/zinc/24/30/79/353243079.db2.gz UWPRAVSQKPNSIZ-UHFFFAOYSA-N -1 3 263.337 2.875 20 30 CFEDHM CC(C)CO[N-]C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000158302436 188369252 /nfs/dbraw/zinc/36/92/52/188369252.db2.gz CMYIYJGKBVGPPV-UHFFFAOYSA-N -1 3 267.716 2.921 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000622144760 353485142 /nfs/dbraw/zinc/48/51/42/353485142.db2.gz ZVBVPRSOCSTBSS-LLVKDONJSA-N -1 3 261.321 2.526 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000628314761 354540297 /nfs/dbraw/zinc/54/02/97/354540297.db2.gz MIUBZEPUYKWCIO-UHFFFAOYSA-N -1 3 290.363 2.683 20 30 CFEDHM CC(=O)c1cccc(NC(=O)C2(C#N)CC3(CC3)C2)c1[O-] ZINC000633072271 355798637 /nfs/dbraw/zinc/79/86/37/355798637.db2.gz NVWRQOTWPNYEBY-UHFFFAOYSA-N -1 3 284.315 2.617 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2cccc(C(C)=O)c2[O-])C1 ZINC000633073527 355799326 /nfs/dbraw/zinc/79/93/26/355799326.db2.gz VZOQNPOAUWVFCE-UHFFFAOYSA-N -1 3 259.305 2.890 20 30 CFEDHM CC(C)(C#N)CCCOc1ccc2c([O-])coc2c1 ZINC000087598937 540278141 /nfs/dbraw/zinc/27/81/41/540278141.db2.gz SPAHCOMPSOPGII-UHFFFAOYSA-N -1 3 259.305 2.970 20 30 CFEDHM CC#CCN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000294400389 199025879 /nfs/dbraw/zinc/02/58/79/199025879.db2.gz DNOLETIDQLWIAN-UHFFFAOYSA-N -1 3 271.238 2.506 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000161843034 540700090 /nfs/dbraw/zinc/70/00/90/540700090.db2.gz NPSLLPPZMKONQT-UHFFFAOYSA-N -1 3 279.283 2.560 20 30 CFEDHM C[C@H](CCc1ccc(Br)cc1)CC(=O)N[O-] ZINC000671996926 541410339 /nfs/dbraw/zinc/41/03/39/541410339.db2.gz WTRHAQYHYZAEOX-SECBINFHSA-N -1 3 286.169 2.913 20 30 CFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1nc[n-]n1 ZINC000676520605 541763124 /nfs/dbraw/zinc/76/31/24/541763124.db2.gz XNIMKHAYDSOJKA-UHFFFAOYSA-N -1 3 294.339 2.518 20 30 CFEDHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000459394688 245163258 /nfs/dbraw/zinc/16/32/58/245163258.db2.gz OKNQEFYLDPBOCJ-LLVKDONJSA-N -1 3 294.358 2.782 20 30 CFEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1[O-] ZINC000029763561 372385774 /nfs/dbraw/zinc/38/57/74/372385774.db2.gz OBFGYPOQLZGFFP-LLVKDONJSA-N -1 3 282.299 2.670 20 30 CFEDHM N#CCc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000030606246 372395702 /nfs/dbraw/zinc/39/57/02/372395702.db2.gz BRFABZAOTHGHQG-UHFFFAOYSA-N -1 3 292.298 2.988 20 30 CFEDHM N#CCc1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000030606246 372395708 /nfs/dbraw/zinc/39/57/08/372395708.db2.gz BRFABZAOTHGHQG-UHFFFAOYSA-N -1 3 292.298 2.988 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000043327825 372989400 /nfs/dbraw/zinc/98/94/00/372989400.db2.gz XFFQRCIVYSXCAL-CQSZACIVSA-N -1 3 288.347 2.603 20 30 CFEDHM N#CC(=C([O-])c1cc(F)cc(F)c1)c1ccccn1 ZINC000046705840 373058570 /nfs/dbraw/zinc/05/85/70/373058570.db2.gz ADESWEJVBPLHNI-LBPRGKRZSA-N -1 3 258.227 2.850 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1ccco1 ZINC000049398943 373293473 /nfs/dbraw/zinc/29/34/73/373293473.db2.gz IPKXDDJCIUELRU-PHDIDXHHSA-N -1 3 286.213 2.808 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccco1 ZINC000049398943 373293476 /nfs/dbraw/zinc/29/34/76/373293476.db2.gz IPKXDDJCIUELRU-PHDIDXHHSA-N -1 3 286.213 2.808 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000075177688 374466686 /nfs/dbraw/zinc/46/66/86/374466686.db2.gz DXTBLKDNYZJUBR-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(C)C ZINC000092694772 375139001 /nfs/dbraw/zinc/13/90/01/375139001.db2.gz DSRUFQXPXSSWQH-LBPRGKRZSA-N -1 3 268.320 2.658 20 30 CFEDHM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1ccccn1 ZINC000103329869 375731860 /nfs/dbraw/zinc/73/18/60/375731860.db2.gz QVVFVLMCFHEBNF-NSHDSACASA-N -1 3 284.340 2.706 20 30 CFEDHM CC(C)(C)OC(=O)N1CC[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000110129433 375826849 /nfs/dbraw/zinc/82/68/49/375826849.db2.gz MJWJBDSPJBYGNT-VGSSETLESA-N -1 3 290.363 2.821 20 30 CFEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2cccc([O-])c2)c1 ZINC000432059314 383718616 /nfs/dbraw/zinc/71/86/16/383718616.db2.gz GMVLOUOOCBCYTP-UHFFFAOYSA-N -1 3 281.315 2.582 20 30 CFEDHM Cc1ccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c([O-])c1 ZINC000432069030 383719990 /nfs/dbraw/zinc/71/99/90/383719990.db2.gz IQUSNGUGSCSRRB-UHFFFAOYSA-N -1 3 295.342 2.891 20 30 CFEDHM Cc1cccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1[O-] ZINC000152192509 378402742 /nfs/dbraw/zinc/40/27/42/378402742.db2.gz MBENZTHKKSMBJI-MEDUHNTESA-N -1 3 272.348 2.903 20 30 CFEDHM O=C([N-]c1scnc1C1CC1)c1cnns1 ZINC000328941034 378442353 /nfs/dbraw/zinc/44/23/53/378442353.db2.gz SREHLJBOIIQSHX-UHFFFAOYSA-N -1 3 252.324 2.508 20 30 CFEDHM Cc1csc(C2(NC(=O)c3csc(=O)[n-]3)CCC2)n1 ZINC000329897009 378509105 /nfs/dbraw/zinc/50/91/05/378509105.db2.gz CVDOZPLCKCDNSX-UHFFFAOYSA-N -1 3 295.389 2.998 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1CC(C)C ZINC000155554696 378629407 /nfs/dbraw/zinc/62/94/07/378629407.db2.gz HSPUJQCPOGRDIK-ZDUSSCGKSA-N -1 3 282.347 2.733 20 30 CFEDHM CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C1CCOCC1 ZINC000331240238 378656912 /nfs/dbraw/zinc/65/69/12/378656912.db2.gz PAHUBYNMLSALEW-CQSZACIVSA-N -1 3 293.363 2.911 20 30 CFEDHM CC(C)CON=C([O-])Nc1cc(C#N)ccc1OC(F)F ZINC000159986280 378742252 /nfs/dbraw/zinc/74/22/52/378742252.db2.gz VGVVCLGEMDIBGK-UHFFFAOYSA-N -1 3 299.277 2.869 20 30 CFEDHM CC(C)CO[N-]C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000159986280 378742261 /nfs/dbraw/zinc/74/22/61/378742261.db2.gz VGVVCLGEMDIBGK-UHFFFAOYSA-N -1 3 299.277 2.869 20 30 CFEDHM C[C@H](C#N)CN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000332042534 378720406 /nfs/dbraw/zinc/72/04/06/378720406.db2.gz ZWTXDOXNXKVESU-SECBINFHSA-N -1 3 278.739 2.810 20 30 CFEDHM C=C[C@](C)(O)CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000278697708 194110011 /nfs/dbraw/zinc/11/00/11/194110011.db2.gz BAYNBGXGVRMCLH-ZDUSSCGKSA-N -1 3 269.728 2.620 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000432258859 383734003 /nfs/dbraw/zinc/73/40/03/383734003.db2.gz MKIXDZWDSKAAJQ-UHFFFAOYSA-N -1 3 288.438 2.586 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000278861150 194188201 /nfs/dbraw/zinc/18/82/01/194188201.db2.gz UJIBNJAWKBALGC-SECBINFHSA-N -1 3 289.784 2.592 20 30 CFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1[O-] ZINC000335817253 379937662 /nfs/dbraw/zinc/93/76/62/379937662.db2.gz PTLMXOGPGQUXSB-ZBEGNZNMSA-N -1 3 272.348 2.903 20 30 CFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000335857047 380004169 /nfs/dbraw/zinc/00/41/69/380004169.db2.gz IMPWTCLYHJXMQS-UHFFFAOYSA-N -1 3 290.319 2.693 20 30 CFEDHM N#CC1(NC(=O)c2cc3c(cc2[O-])CCCC3)CCCC1 ZINC000408405653 380923731 /nfs/dbraw/zinc/92/37/31/380923731.db2.gz DRKBWZXMMZGASQ-UHFFFAOYSA-N -1 3 284.359 2.837 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccnc(C(F)(F)F)c1 ZINC000295918944 381157112 /nfs/dbraw/zinc/15/71/12/381157112.db2.gz ZGBZPCCDXVSAPW-UHFFFAOYSA-N -1 3 294.223 2.928 20 30 CFEDHM [O-]c1ccccc1/C=N/C[C@@H]1COC2(CCCCC2)O1 ZINC000183383667 381264412 /nfs/dbraw/zinc/26/44/12/381264412.db2.gz GZMMNYQZWXTCKB-NGWPFTMJSA-N -1 3 275.348 2.887 20 30 CFEDHM COc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2OC)c1 ZINC000354390154 381239486 /nfs/dbraw/zinc/23/94/86/381239486.db2.gz OPJMKQRRFPHZDO-UHFFFAOYSA-N -1 3 298.298 2.533 20 30 CFEDHM CC(C)Oc1ncccc1C([O-])=C(C#N)c1ccccn1 ZINC000342440136 381333875 /nfs/dbraw/zinc/33/38/75/381333875.db2.gz NXMOZSGUEWYTLE-ZDUSSCGKSA-N -1 3 281.315 2.754 20 30 CFEDHM N#Cc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1 ZINC000184058083 381363831 /nfs/dbraw/zinc/36/38/31/381363831.db2.gz OBCKIUJMLDLWKR-GOSISDBHSA-N -1 3 257.314 2.572 20 30 CFEDHM C=CCn1c(SCc2ccc(CC#N)cc2)n[n-]c1=O ZINC000342571345 381404405 /nfs/dbraw/zinc/40/44/05/381404405.db2.gz QIVHMXBUMFBHJT-UHFFFAOYSA-N -1 3 286.360 2.528 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(C)(C)C ZINC000049457946 412945514 /nfs/dbraw/zinc/94/55/14/412945514.db2.gz YWQMMZQNSLFTOR-GFCCVEGCSA-N -1 3 282.347 2.832 20 30 CFEDHM Cc1cc([N-]C(=O)COc2ccc(C#N)cc2Cl)on1 ZINC000354887290 381506836 /nfs/dbraw/zinc/50/68/36/381506836.db2.gz OVWDESKWQSIGFH-UHFFFAOYSA-N -1 3 291.694 2.526 20 30 CFEDHM Cn1nc([N-]c2ccc(C#N)cc2[N+](=O)[O-])cc1C1CC1 ZINC000291116979 381671754 /nfs/dbraw/zinc/67/17/54/381671754.db2.gz LYRIMQHZPHYFAC-UHFFFAOYSA-N -1 3 283.291 2.821 20 30 CFEDHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000360023296 381734431 /nfs/dbraw/zinc/73/44/31/381734431.db2.gz KROSOVZAKYALCW-UHFFFAOYSA-N -1 3 298.795 2.846 20 30 CFEDHM C=CCC(C)(C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000292872941 381876546 /nfs/dbraw/zinc/87/65/46/381876546.db2.gz SZFFAQQJYZFLTP-UHFFFAOYSA-N -1 3 280.343 2.933 20 30 CFEDHM Cn1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362134258 381924014 /nfs/dbraw/zinc/92/40/14/381924014.db2.gz AYTRUMQWLMXTJD-NSHDSACASA-N -1 3 293.248 2.929 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC000343880440 381999211 /nfs/dbraw/zinc/99/92/11/381999211.db2.gz RLGWNPZSJDDXDB-UHFFFAOYSA-N -1 3 295.342 2.891 20 30 CFEDHM Cc1c(C#N)cccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417031553 381987455 /nfs/dbraw/zinc/98/74/55/381987455.db2.gz XSFVFZCCWDODCX-UHFFFAOYSA-N -1 3 280.331 2.852 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc(-c2cccs2)no1 ZINC000293273435 382058563 /nfs/dbraw/zinc/05/85/63/382058563.db2.gz NRSOCCQRJHUTRB-UHFFFAOYSA-N -1 3 299.302 2.626 20 30 CFEDHM N#Cc1cccc([C@@H]2CN(Cc3ccccc3[O-])CCO2)c1 ZINC000374895926 382059936 /nfs/dbraw/zinc/05/99/36/382059936.db2.gz NPHOMYYGVPSTJQ-SFHVURJKSA-N -1 3 294.354 2.837 20 30 CFEDHM N#Cc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000352114488 382178765 /nfs/dbraw/zinc/17/87/65/382178765.db2.gz ZJSFEOCOANJTFZ-UHFFFAOYSA-N -1 3 274.270 2.832 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000293461700 382131762 /nfs/dbraw/zinc/13/17/62/382131762.db2.gz UEKJRUIEJRBMIG-UHFFFAOYSA-N -1 3 272.320 2.848 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](CCOC)c1ccco1 ZINC000293493131 382144886 /nfs/dbraw/zinc/14/48/86/382144886.db2.gz OEIYFHKRXCKROM-SNVBAGLBSA-N -1 3 273.279 2.685 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC000293499035 382146886 /nfs/dbraw/zinc/14/68/86/382146886.db2.gz XAQDADZINGFZEO-UHFFFAOYSA-N -1 3 276.286 2.875 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccncn2)ccn1C(C)C ZINC000346000771 382326571 /nfs/dbraw/zinc/32/65/71/382326571.db2.gz ZUWCXALLVNUZCL-ZDUSSCGKSA-N -1 3 268.320 2.658 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(C)n2)nc(C)n1 ZINC000420242728 382336422 /nfs/dbraw/zinc/33/64/22/382336422.db2.gz PLCOKBDXIJPXHB-CYBMUJFWSA-N -1 3 280.331 2.595 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(CC)n2)s1 ZINC000346579769 382422705 /nfs/dbraw/zinc/42/27/05/382422705.db2.gz HEAQLIDNTXDLKU-UHFFFAOYSA-N -1 3 275.333 2.985 20 30 CFEDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000420711298 382452576 /nfs/dbraw/zinc/45/25/76/382452576.db2.gz XWAPGQXMIDWBAV-SECBINFHSA-N -1 3 286.784 2.536 20 30 CFEDHM C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000308731095 382484849 /nfs/dbraw/zinc/48/48/49/382484849.db2.gz SXMPCNCMVAXYTL-GWCFXTLKSA-N -1 3 298.433 2.867 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000353158239 382503070 /nfs/dbraw/zinc/50/30/70/382503070.db2.gz WIURXVWXWMADNL-SNVBAGLBSA-N -1 3 298.795 2.845 20 30 CFEDHM COc1ccc([O-])cc1C(=O)Nc1cc(C#N)ccc1C ZINC000189114369 382546415 /nfs/dbraw/zinc/54/64/15/382546415.db2.gz RWASHXCCJBAGDO-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM CC1(C)CC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328650709 382559907 /nfs/dbraw/zinc/55/99/07/382559907.db2.gz JHGQFMQFYSSFNX-SECBINFHSA-N -1 3 276.315 2.980 20 30 CFEDHM CC1(C)CC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328650709 382559912 /nfs/dbraw/zinc/55/99/12/382559912.db2.gz JHGQFMQFYSSFNX-SECBINFHSA-N -1 3 276.315 2.980 20 30 CFEDHM CC1(C)CC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328650709 382559916 /nfs/dbraw/zinc/55/99/16/382559916.db2.gz JHGQFMQFYSSFNX-SECBINFHSA-N -1 3 276.315 2.980 20 30 CFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)cc1[O-] ZINC000189547839 382622613 /nfs/dbraw/zinc/62/26/13/382622613.db2.gz PSKKPEVYNCRAMX-HNNXBMFYSA-N -1 3 263.337 2.868 20 30 CFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)cc1[O-] ZINC000189547816 382622757 /nfs/dbraw/zinc/62/27/57/382622757.db2.gz PSKKPEVYNCRAMX-OAHLLOKOSA-N -1 3 263.337 2.868 20 30 CFEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190897275 382684441 /nfs/dbraw/zinc/68/44/41/382684441.db2.gz QVFCYKDDCOPVJY-GFCCVEGCSA-N -1 3 290.326 2.767 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337462608 382825215 /nfs/dbraw/zinc/82/52/15/382825215.db2.gz QMEMTYOBIWTZDU-UHFFFAOYSA-N -1 3 295.277 2.529 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337462608 382825216 /nfs/dbraw/zinc/82/52/16/382825216.db2.gz QMEMTYOBIWTZDU-UHFFFAOYSA-N -1 3 295.277 2.529 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337462608 382825219 /nfs/dbraw/zinc/82/52/19/382825219.db2.gz QMEMTYOBIWTZDU-UHFFFAOYSA-N -1 3 295.277 2.529 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000230349975 382859707 /nfs/dbraw/zinc/85/97/07/382859707.db2.gz TZTKEZSABLAVKQ-UHFFFAOYSA-N -1 3 298.433 2.868 20 30 CFEDHM Cc1c(C#N)cccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000338213989 382954324 /nfs/dbraw/zinc/95/43/24/382954324.db2.gz DAJMEHHHGPZLJM-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000447936313 383031990 /nfs/dbraw/zinc/03/19/90/383031990.db2.gz OFFVPUDWTGNGLZ-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2ncc(C#N)cc2C)c1 ZINC000551914185 383056249 /nfs/dbraw/zinc/05/62/49/383056249.db2.gz PPHNVIBRAHRFGX-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM CCc1ccc(C(=O)N2CCC[C@H](CC#N)C2)c([O-])c1 ZINC000597906307 383129413 /nfs/dbraw/zinc/12/94/13/383129413.db2.gz WOBFDLYDALJHGR-CYBMUJFWSA-N -1 3 272.348 2.720 20 30 CFEDHM N#CCCC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000584348931 383097126 /nfs/dbraw/zinc/09/71/26/383097126.db2.gz SOXPKONIYZZELP-UHFFFAOYSA-N -1 3 286.379 2.575 20 30 CFEDHM C=C(C)C(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000424733650 383245343 /nfs/dbraw/zinc/24/53/43/383245343.db2.gz GZCQYKCDLIORJH-UHFFFAOYSA-N -1 3 251.301 2.750 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000425150960 383333395 /nfs/dbraw/zinc/33/33/95/383333395.db2.gz YZSKOSOJIBZQQR-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000425150960 383333400 /nfs/dbraw/zinc/33/34/00/383333400.db2.gz YZSKOSOJIBZQQR-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000425150960 383333404 /nfs/dbraw/zinc/33/34/04/383333404.db2.gz YZSKOSOJIBZQQR-UHFFFAOYSA-N -1 3 260.297 2.606 20 30 CFEDHM C=CCN(C(=O)c1ccc2[n-]c(OCC)nc2c1)C1CC1 ZINC000450385173 383393625 /nfs/dbraw/zinc/39/36/25/383393625.db2.gz DMEZADFVZSXHKB-UHFFFAOYSA-N -1 3 285.347 2.752 20 30 CFEDHM C=CCN(C(=O)c1ccc2nc(OCC)[n-]c2c1)C1CC1 ZINC000450385173 383393628 /nfs/dbraw/zinc/39/36/28/383393628.db2.gz DMEZADFVZSXHKB-UHFFFAOYSA-N -1 3 285.347 2.752 20 30 CFEDHM N#CC(=C([O-])c1cccc(C2CC2)c1)c1ccncn1 ZINC000568412527 383401574 /nfs/dbraw/zinc/40/15/74/383401574.db2.gz XLDGKMQLFWPWEF-AWEZNQCLSA-N -1 3 263.300 2.844 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569255888 383482593 /nfs/dbraw/zinc/48/25/93/383482593.db2.gz AEYJHGXWKNHZRU-JTQLQIEISA-N -1 3 275.352 2.534 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000428047268 383419750 /nfs/dbraw/zinc/41/97/50/383419750.db2.gz DOCCOQFCTJWOHW-GFCCVEGCSA-N -1 3 291.347 2.590 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000340882783 383498787 /nfs/dbraw/zinc/49/87/87/383498787.db2.gz JUAHYGBHNJLZHG-ZETCQYMHSA-N 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MOXPMOUNYUQKEB-UHFFFAOYSA-N -1 3 270.332 2.979 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)[nH]c2C)n1 ZINC000642281982 384419824 /nfs/dbraw/zinc/41/98/24/384419824.db2.gz ZHXCNIQXWQXMLK-LLVKDONJSA-N -1 3 259.334 2.887 20 30 CFEDHM CCCOc1ccc(CN(C)C[C@H](C)C#N)c([O-])c1 ZINC000271111424 385339615 /nfs/dbraw/zinc/33/96/15/385339615.db2.gz BNVAHQKFVGYOMC-GFCCVEGCSA-N -1 3 262.353 2.772 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC23CCCCC3)c1[O-] ZINC000271368670 385380784 /nfs/dbraw/zinc/38/07/84/385380784.db2.gz OWBDPMNIKYFKGW-UHPUNMKFSA-N -1 3 274.364 2.730 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CCSC[C@@H]2C#N)c([O-])c1 ZINC000271792855 385392764 /nfs/dbraw/zinc/39/27/64/385392764.db2.gz VBYBEUDPGHZXJA-LBPRGKRZSA-N -1 3 290.388 2.597 20 30 CFEDHM C=CCCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000274456825 385803632 /nfs/dbraw/zinc/80/36/32/385803632.db2.gz BGEXYKJWGIPVNG-UHFFFAOYSA-N -1 3 266.316 2.687 20 30 CFEDHM C=CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187309688 262399006 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ZINC000416937871 393945802 /nfs/dbraw/zinc/94/58/02/393945802.db2.gz JVTUTGBIBKKSPA-CYBMUJFWSA-N -1 3 298.433 2.636 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000416950361 393946986 /nfs/dbraw/zinc/94/69/86/393946986.db2.gz FEJMPHAHJOJLQN-NSHDSACASA-N -1 3 295.408 2.941 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000416953119 393947084 /nfs/dbraw/zinc/94/70/84/393947084.db2.gz HIJCMOPAVCCXGB-NSHDSACASA-N -1 3 282.340 2.747 20 30 CFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000121761725 393959516 /nfs/dbraw/zinc/95/95/16/393959516.db2.gz VHQUARHSCRZZFK-ZETCQYMHSA-N -1 3 292.813 2.618 20 30 CFEDHM COc1cc(/C=C\c2ccncc2C#N)cc(OC)c1[O-] ZINC000436814979 394024018 /nfs/dbraw/zinc/02/40/18/394024018.db2.gz JOHHPZMIEZYODY-ARJAWSKDSA-N -1 3 282.299 2.846 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccnn1-c1ccccc1C ZINC000417614383 393983698 /nfs/dbraw/zinc/98/36/98/393983698.db2.gz VKLFPVDDSSXHDU-AWEZNQCLSA-N -1 3 299.374 2.690 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(OC)cc1Cl ZINC000417621021 393985181 /nfs/dbraw/zinc/98/51/81/393985181.db2.gz DTPIKYCQZYZFBD-LLVKDONJSA-N -1 3 283.755 2.858 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Br)cc1 ZINC000417629132 393986451 /nfs/dbraw/zinc/98/64/51/393986451.db2.gz RRWWPHYBFRZAQD-LBPRGKRZSA-N -1 3 298.180 2.958 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(F)c(C)c1 ZINC000417632772 393987294 /nfs/dbraw/zinc/98/72/94/393987294.db2.gz XAMVYEAVFNRIEG-GFCCVEGCSA-N -1 3 251.301 2.643 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)/C=C\c2ccc(C#N)cc2)n1 ZINC000493600529 394288023 /nfs/dbraw/zinc/28/80/23/394288023.db2.gz XZOSCQVHHOZYMK-CLFYSBASSA-N -1 3 279.299 2.619 20 30 CFEDHM CCO[C@H](CC/N=C/c1ccc(O)c([O-])c1O)C(C)C ZINC000173954550 394377233 /nfs/dbraw/zinc/37/72/33/394377233.db2.gz XHNWCDFNDICWAO-BPKVKKHESA-N -1 3 281.352 2.674 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2CC[C@H]3C[C@H]3C2)sc1Cl ZINC000528071064 394443671 /nfs/dbraw/zinc/44/36/71/394443671.db2.gz FTARFOIAENAIIW-HRDYMLBCSA-N -1 3 267.785 2.938 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(OC)c(C)c1 ZINC000647917284 395458398 /nfs/dbraw/zinc/45/83/98/395458398.db2.gz GMCJUELNMBTGBK-UHFFFAOYSA-N -1 3 291.376 2.779 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cc(Cl)cn2C)n1 ZINC000041517920 397554537 /nfs/dbraw/zinc/55/45/37/397554537.db2.gz XTZMANAAYXXEEY-SECBINFHSA-N -1 3 279.752 2.934 20 30 CFEDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000444216372 300041768 /nfs/dbraw/zinc/04/17/68/300041768.db2.gz HQXGXLFAWNUULO-JOYOIKCWSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1csc([N-]C(=O)c2cn3ccnc3s2)c1C#N ZINC000344924888 162149360 /nfs/dbraw/zinc/14/93/60/162149360.db2.gz JAMKEOLXEGKCSM-UHFFFAOYSA-N -1 3 288.357 2.890 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000344969252 162155419 /nfs/dbraw/zinc/15/54/19/162155419.db2.gz NWRUECFPTURIRB-UHFFFAOYSA-N -1 3 295.342 2.891 20 30 CFEDHM C=CC[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385377 413940849 /nfs/dbraw/zinc/94/08/49/413940849.db2.gz NZRGLRZVULMDIL-STQMWFEESA-N -1 3 261.369 2.840 20 30 CFEDHM C=CCCn1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)nn1 ZINC000656613473 414617472 /nfs/dbraw/zinc/61/74/72/414617472.db2.gz JYTGCUPLWBTHKE-FPLPWBNLSA-N -1 3 299.378 2.818 20 30 CFEDHM N#Cc1ccc(NC([O-])=NOCc2ccccc2)cc1 ZINC000045027446 175293315 /nfs/dbraw/zinc/29/33/15/175293315.db2.gz HVZVGQNWDHEYNM-UHFFFAOYSA-N -1 3 267.288 2.812 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]OCc2ccccc2)cc1 ZINC000045027446 175293316 /nfs/dbraw/zinc/29/33/16/175293316.db2.gz HVZVGQNWDHEYNM-UHFFFAOYSA-N -1 3 267.288 2.812 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCc2cccc(C#N)c2)c1 ZINC000045212870 175329320 /nfs/dbraw/zinc/32/93/20/175329320.db2.gz KXMZDDVLDHXKNG-UHFFFAOYSA-N -1 3 266.300 2.502 20 30 CFEDHM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1ccccn1 ZINC000344858250 225203981 /nfs/dbraw/zinc/20/39/81/225203981.db2.gz ZCVMRWQLXQBZEE-LLVKDONJSA-N -1 3 291.232 2.985 20 30 CFEDHM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1ccncn1 ZINC000354470510 227006865 /nfs/dbraw/zinc/00/68/65/227006865.db2.gz SANQESBBCQIOSS-AWEZNQCLSA-N -1 3 288.310 2.522 20 30 CFEDHM COc1ccc(CO)cc1-c1cccc(/C=N/[O-])c1 ZINC001243174712 782035472 /nfs/dbraw/zinc/03/54/72/782035472.db2.gz UKHDRHOEGSMPDX-CXUHLZMHSA-N -1 3 257.289 2.663 20 30 CFEDHM C=CC[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000152146001 260636983 /nfs/dbraw/zinc/63/69/83/260636983.db2.gz PILHKLJUCCOHMY-VIFPVBQESA-N -1 3 253.729 2.669 20 30 CFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000130495019 260857643 /nfs/dbraw/zinc/85/76/43/260857643.db2.gz VYVBYFDZKYKIEV-UKRRQHHQSA-N -1 3 292.404 2.578 20 30 CFEDHM CC(C)C[C@@H]1OCCC[C@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000186848116 262112888 /nfs/dbraw/zinc/11/28/88/262112888.db2.gz QDPKMFPRAIESPW-PGPWHFDPSA-N -1 3 293.363 2.816 20 30 CFEDHM CCCOc1ccc(/C=N/C[C@H](C)OC)c([O-])c1 ZINC000188127752 262149620 /nfs/dbraw/zinc/14/96/20/262149620.db2.gz WVVJUGUVAWGTOP-KBVGCWLLSA-N -1 3 251.326 2.635 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-]c1ncccc1F ZINC000194804815 262242963 /nfs/dbraw/zinc/24/29/63/262242963.db2.gz NMAGVZPJAPWXCZ-UHFFFAOYSA-N -1 3 274.361 2.933 20 30 CFEDHM CCc1cc(=O)[n-]c(CSCCCCC#N)n1 ZINC000161966319 262323136 /nfs/dbraw/zinc/32/31/36/262323136.db2.gz TVOVXPWTKPCTMS-UHFFFAOYSA-N -1 3 251.355 2.672 20 30 CFEDHM CCO[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])[C@@]12CCCO2 ZINC000273509887 263017620 /nfs/dbraw/zinc/01/76/20/263017620.db2.gz NPYVCICTBDYZFH-BLHQLSLHSA-N -1 3 275.348 2.538 20 30 CFEDHM Cc1cccc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1F ZINC000274371780 263023712 /nfs/dbraw/zinc/02/37/12/263023712.db2.gz ORXQJTDENDKJEH-AWEZNQCLSA-N -1 3 298.383 2.741 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2CCC(F)(F)C2)c1O ZINC000280449978 263061619 /nfs/dbraw/zinc/06/16/19/263061619.db2.gz VGUWUXAJJCYBNK-LBBJYAOWSA-N -1 3 271.263 2.658 20 30 CFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281363482 263068420 /nfs/dbraw/zinc/06/84/20/263068420.db2.gz BYFIEBHHDRZVBV-SSDOTTSWSA-N -1 3 293.175 2.574 20 30 CFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000285772991 263095683 /nfs/dbraw/zinc/09/56/83/263095683.db2.gz NJHGWVRBBMAWLA-LBPRGKRZSA-N -1 3 252.701 2.924 20 30 CFEDHM COCC1(C/N=C/c2ccc(O)c([O-])c2O)CCCCC1 ZINC000290477616 263117049 /nfs/dbraw/zinc/11/70/49/263117049.db2.gz GWBNCESCBLROSC-RQZCQDPDSA-N -1 3 293.363 2.819 20 30 CFEDHM CCc1cc(C(=O)Nc2cc(C)n(CCC#N)n2)ccc1[O-] ZINC000291581444 263123936 /nfs/dbraw/zinc/12/39/36/263123936.db2.gz CHHXECGGOMGVOD-UHFFFAOYSA-N -1 3 298.346 2.626 20 30 CFEDHM CCCOc1ccc(/C=N/Cc2snnc2C)c([O-])c1 ZINC000292063595 263127771 /nfs/dbraw/zinc/12/77/71/263127771.db2.gz KGJQCFCYAAAVCS-OVCLIPMQSA-N -1 3 291.376 2.960 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000294013875 263154165 /nfs/dbraw/zinc/15/41/65/263154165.db2.gz ZSNSJJYAMSBXQI-UHFFFAOYSA-N -1 3 284.359 2.813 20 30 CFEDHM CC[C@](C)(O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331234155 264173883 /nfs/dbraw/zinc/17/38/83/264173883.db2.gz KHHDXGRABZOLIG-HNNXBMFYSA-N -1 3 265.353 2.981 20 30 CFEDHM CCc1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)CO)c([O-])c1 ZINC000331236810 264175301 /nfs/dbraw/zinc/17/53/01/264175301.db2.gz MTMNSFXUIGFSPY-ZBFHGGJFSA-N -1 3 277.364 2.810 20 30 CFEDHM CC(C)c1ccc(C(=O)NC[C@H](O)C(C)C)c([O-])c1 ZINC000331239649 264176176 /nfs/dbraw/zinc/17/61/76/264176176.db2.gz OMKYSGSEVYDMAY-AWEZNQCLSA-N -1 3 265.353 2.837 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CC)cc1[O-] ZINC000331332862 264192957 /nfs/dbraw/zinc/19/29/57/264192957.db2.gz PDCSQBMXIKUCGX-OCCSQVGLSA-N -1 3 261.321 2.603 20 30 CFEDHM CC(C)c1cc(C(=O)NCC#N)c([O-])c(C(C)C)c1 ZINC000126422511 264219976 /nfs/dbraw/zinc/21/99/76/264219976.db2.gz DQEDITHEJZRSJD-UHFFFAOYSA-N -1 3 260.337 2.892 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000353159509 265635262 /nfs/dbraw/zinc/63/52/62/265635262.db2.gz YUVYLWNBABTCAY-NSHDSACASA-N -1 3 298.795 2.845 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000230339436 267187376 /nfs/dbraw/zinc/18/73/76/267187376.db2.gz JKYHBKOCPKFTEN-JTQLQIEISA-N -1 3 298.433 2.867 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCCCCC2)s1 ZINC000230334589 268197693 /nfs/dbraw/zinc/19/76/93/268197693.db2.gz IAMYQFWMJCFKGC-UHFFFAOYSA-N -1 3 284.406 2.621 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000334646360 276916205 /nfs/dbraw/zinc/91/62/05/276916205.db2.gz PFBLPOQWPYXHNH-CYBMUJFWSA-N -1 3 273.332 2.776 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000048860380 280434308 /nfs/dbraw/zinc/43/43/08/280434308.db2.gz DXJDXSKBSCAMHK-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM Cc1cccc(C(=O)NCc2ccc(C#N)cc2)c1[O-] ZINC000055464125 280449915 /nfs/dbraw/zinc/44/99/15/280449915.db2.gz GTCGRWVVCLWINC-UHFFFAOYSA-N -1 3 266.300 2.502 20 30 CFEDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000126322413 280652137 /nfs/dbraw/zinc/65/21/37/280652137.db2.gz QOFFEXIHLRWZMN-MFKMUULPSA-N -1 3 296.367 2.554 20 30 CFEDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311886077 281115934 /nfs/dbraw/zinc/11/59/34/281115934.db2.gz XAKCTWMHVXRPDO-LBPRGKRZSA-N -1 3 298.795 2.679 20 30 CFEDHM CC(C)(C)c1cc([N-]C(=O)c2cnccn2)c(C#N)s1 ZINC000154290215 289890909 /nfs/dbraw/zinc/89/09/09/289890909.db2.gz VJUNGZZWOSWMAJ-UHFFFAOYSA-N -1 3 286.360 2.960 20 30 CFEDHM N#Cc1cccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156250547 289934859 /nfs/dbraw/zinc/93/48/59/289934859.db2.gz FRAFJBUKPVGCRH-FNORWQNLSA-N -1 3 296.301 2.733 20 30 CFEDHM N#CCC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000338916270 327991855 /nfs/dbraw/zinc/99/18/55/327991855.db2.gz SLEFKSMCFVEPNA-UHFFFAOYSA-N -1 3 298.264 2.835 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC2(C)C)c1[O-] ZINC000267324221 328177160 /nfs/dbraw/zinc/17/71/60/328177160.db2.gz GIANNEZSADRSQZ-QOSBVPTNSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1cnc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000267334610 328177366 /nfs/dbraw/zinc/17/73/66/328177366.db2.gz IKNOVZMLYSCUQV-WTSVEOLSSA-N -1 3 291.376 2.533 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436699322 328182576 /nfs/dbraw/zinc/18/25/76/328182576.db2.gz UDCKIPHKCBDRLA-NSHDSACASA-N -1 3 290.363 2.825 20 30 CFEDHM C[C@H](C#N)CN(C)Cc1cc(Br)ccc1[O-] ZINC000271137989 328195264 /nfs/dbraw/zinc/19/52/64/328195264.db2.gz SWDHQPFDOILKBF-SECBINFHSA-N -1 3 283.169 2.746 20 30 CFEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000274775866 328213428 /nfs/dbraw/zinc/21/34/28/328213428.db2.gz WCOXOEXSEBHVAO-CQSZACIVSA-N -1 3 298.383 2.741 20 30 CFEDHM C[C@H]1CCN(C(=O)CCCC#N)c2c([O-])cccc21 ZINC000291683706 328265691 /nfs/dbraw/zinc/26/56/91/328265691.db2.gz NDLCBZYHGMPELX-NSHDSACASA-N -1 3 258.321 2.926 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000116905223 326795321 /nfs/dbraw/zinc/79/53/21/326795321.db2.gz TVRYMZAMWPNYOG-SSDOTTSWSA-N -1 3 265.787 2.644 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000353163572 327367671 /nfs/dbraw/zinc/36/76/71/327367671.db2.gz CFBBKGGVYNWEAW-NSHDSACASA-N -1 3 271.357 2.767 20 30 CFEDHM Cc1cccc([N-]S(=O)(=O)CCC(C)(C)C#N)c1F ZINC000584354389 328734224 /nfs/dbraw/zinc/73/42/24/328734224.db2.gz LRESWHJUXNWFNO-UHFFFAOYSA-N -1 3 284.356 2.816 20 30 CFEDHM CCCCCCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377488017 329016386 /nfs/dbraw/zinc/01/63/86/329016386.db2.gz YOEVWXRYZMAKLE-LBPRGKRZSA-N -1 3 266.389 2.660 20 30 CFEDHM CSc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000181409670 329236488 /nfs/dbraw/zinc/23/64/88/329236488.db2.gz NCPWKSIUTPILIJ-LLVKDONJSA-N -1 3 269.329 2.689 20 30 CFEDHM COc1cc(C(=O)N2CCC(CCC#N)CC2)ccc1[O-] ZINC000572002826 329936453 /nfs/dbraw/zinc/93/64/53/329936453.db2.gz IVGFDSYLGCOCDU-UHFFFAOYSA-N -1 3 288.347 2.557 20 30 CFEDHM C=C(Cl)CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273530923 330097044 /nfs/dbraw/zinc/09/70/44/330097044.db2.gz WHUBIDVVGJYWNK-VIFPVBQESA-N -1 3 269.728 2.582 20 30 CFEDHM CC#CC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000278453682 330116917 /nfs/dbraw/zinc/11/69/17/330116917.db2.gz UVCWXKLDQKKFKC-UHFFFAOYSA-N -1 3 296.164 2.527 20 30 CFEDHM C=CCC1(C(=O)N=c2[nH][n-]c(CC)c2C)CCCC1 ZINC000449851151 330952215 /nfs/dbraw/zinc/95/22/15/330952215.db2.gz PXCLBCSVMHJKJL-UHFFFAOYSA-N -1 3 261.369 2.777 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000450989139 331010537 /nfs/dbraw/zinc/01/05/37/331010537.db2.gz DJQBJQOAUBPEBL-GWCFXTLKSA-N -1 3 298.433 2.807 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451489019 331031306 /nfs/dbraw/zinc/03/13/06/331031306.db2.gz JVWLQLXFJGMXCB-SNVBAGLBSA-N -1 3 259.396 2.690 20 30 CFEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000491504512 332224644 /nfs/dbraw/zinc/22/46/44/332224644.db2.gz HZJIJEUMYKITJL-LBPRGKRZSA-N -1 3 281.302 2.705 20 30 CFEDHM C#CCN(Cc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000491793776 332353814 /nfs/dbraw/zinc/35/38/14/332353814.db2.gz NEYXFMRBLMANEB-UHFFFAOYSA-N -1 3 295.338 2.676 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NCC#Cc2cccc(F)c2)c1 ZINC000513932799 333052602 /nfs/dbraw/zinc/05/26/02/333052602.db2.gz AZRCKBVVKGHPAW-UHFFFAOYSA-N -1 3 297.329 2.875 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000186101205 333155016 /nfs/dbraw/zinc/15/50/16/333155016.db2.gz LCHSGZBQUNLPIZ-JTQLQIEISA-N -1 3 294.351 2.955 20 30 CFEDHM C=C[C@](C)(CCOC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000566280774 334640570 /nfs/dbraw/zinc/64/05/70/334640570.db2.gz VLTQBOQBROUDJH-MRXNPFEDSA-N -1 3 291.347 2.762 20 30 CFEDHM C[C@@H]1CCC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329974075 533738352 /nfs/dbraw/zinc/73/83/52/533738352.db2.gz ZWRAVBSYJBKSAH-RKDXNWHRSA-N -1 3 254.355 2.980 20 30 CFEDHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443097595 534914342 /nfs/dbraw/zinc/91/43/42/534914342.db2.gz VMOREZHSHIXUPF-LLVKDONJSA-N -1 3 298.383 2.800 20 30 CFEDHM N#Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(Cl)c1 ZINC000226348367 526658934 /nfs/dbraw/zinc/65/89/34/526658934.db2.gz CGKBSQYSFYNANU-UHFFFAOYSA-N -1 3 291.650 2.965 20 30 CFEDHM C=CCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000344478456 527212533 /nfs/dbraw/zinc/21/25/33/527212533.db2.gz KWUIHAVAUWLWHV-UHFFFAOYSA-N -1 3 265.328 2.936 20 30 CFEDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169262884 528563071 /nfs/dbraw/zinc/56/30/71/528563071.db2.gz OCFIIMOWUYEJML-UHFFFAOYSA-N -1 3 286.784 2.679 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332678994 529299621 /nfs/dbraw/zinc/29/96/21/529299621.db2.gz LLUCWIYJTJNXFM-CYBMUJFWSA-N -1 3 272.348 2.693 20 30 CFEDHM CC[C@H](C)c1cc(C(=O)[N-]c2cc(C#N)ccn2)on1 ZINC000435992833 536021898 /nfs/dbraw/zinc/02/18/98/536021898.db2.gz LCJPNGBSNBIESI-VIFPVBQESA-N -1 3 270.292 2.707 20 30 CFEDHM CCc1cc(C(=O)NCc2cccc(C#N)c2)ccc1[O-] ZINC000341655320 536124891 /nfs/dbraw/zinc/12/48/91/536124891.db2.gz ITGYSPCIEIADGN-UHFFFAOYSA-N -1 3 280.327 2.756 20 30 CFEDHM N#CCC1(COC(=O)c2cc(-c3ccco3)n[n-]2)CC1 ZINC000744278154 574063644 /nfs/dbraw/zinc/06/36/44/574063644.db2.gz QZZXXYCQGPORNP-UHFFFAOYSA-N -1 3 271.276 2.520 20 30 CFEDHM N#CCC1(COC(=O)c2cc(-c3ccco3)[n-]n2)CC1 ZINC000744278154 574063645 /nfs/dbraw/zinc/06/36/45/574063645.db2.gz QZZXXYCQGPORNP-UHFFFAOYSA-N -1 3 271.276 2.520 20 30 CFEDHM CCc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000736684235 574065455 /nfs/dbraw/zinc/06/54/55/574065455.db2.gz WQRAUFQREVKGCI-UHFFFAOYSA-N -1 3 298.375 2.937 20 30 CFEDHM CCc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000736684235 574065456 /nfs/dbraw/zinc/06/54/56/574065456.db2.gz WQRAUFQREVKGCI-UHFFFAOYSA-N -1 3 298.375 2.937 20 30 CFEDHM CC(C)N1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H](C)C1 ZINC000754256674 574084623 /nfs/dbraw/zinc/08/46/23/574084623.db2.gz YMEWCSCROXZDEO-NSHDSACASA-N -1 3 275.352 2.513 20 30 CFEDHM COC(=O)[C@H](C)/N=C\c1c([O-])ccc2ccccc21 ZINC000730547369 574087002 /nfs/dbraw/zinc/08/70/02/574087002.db2.gz RWOAAYHXYGOHKC-XBTXGSBDSA-N -1 3 257.289 2.526 20 30 CFEDHM Cc1cc(C)nc(N=NC(C)c2ccc([O-])c(F)c2)n1 ZINC000728429022 574095718 /nfs/dbraw/zinc/09/57/18/574095718.db2.gz FEMAUSLLTUFDAH-UHFFFAOYSA-N -1 3 274.299 2.774 20 30 CFEDHM Cc1ccc([O-])c(C=NNCc2ccccc2Cl)n1 ZINC000728781122 574108514 /nfs/dbraw/zinc/10/85/14/574108514.db2.gz MFDCQPYZKTYQLW-UHFFFAOYSA-N -1 3 275.739 2.873 20 30 CFEDHM Cc1ccc([O-])c(C=NNCc2cccc3cccnc32)n1 ZINC000728781332 574108727 /nfs/dbraw/zinc/10/87/27/574108727.db2.gz RHPLPNNPOIENJV-UHFFFAOYSA-N -1 3 292.342 2.768 20 30 CFEDHM C=CCc1cc(OC)cc(CN(C)C[C@@H](C)C#N)c1[O-] ZINC000754722043 574116333 /nfs/dbraw/zinc/11/63/33/574116333.db2.gz ATRROAZVACYPNG-LBPRGKRZSA-N -1 3 274.364 2.721 20 30 CFEDHM N#Cc1ccccc1COC(=O)c1cc([O-])cs1 ZINC000731910440 574133570 /nfs/dbraw/zinc/13/35/70/574133570.db2.gz RJWUOEYINZNYHR-UHFFFAOYSA-N -1 3 259.286 2.682 20 30 CFEDHM CC[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1nccs1 ZINC000737444367 574141434 /nfs/dbraw/zinc/14/14/34/574141434.db2.gz QASCBXDWAQGELV-KIKKFWRUSA-N -1 3 278.333 2.830 20 30 CFEDHM N#Cc1cc(F)ccc1COC(=O)c1cc([O-])cs1 ZINC000732354389 574153407 /nfs/dbraw/zinc/15/34/07/574153407.db2.gz KSIGIYSZYTZYKH-UHFFFAOYSA-N -1 3 277.276 2.821 20 30 CFEDHM CCCCC1N=NC(=S)N1N=Cc1cc(F)ccc1[O-] ZINC000755509923 574166231 /nfs/dbraw/zinc/16/62/31/574166231.db2.gz ANJBNQMWXZLXFV-UHFFFAOYSA-N -1 3 294.355 2.636 20 30 CFEDHM Cc1ccc(F)c2c1C(=NNc1cccc(C#N)c1)C(=O)[N-]2 ZINC000732712347 574166810 /nfs/dbraw/zinc/16/68/10/574166810.db2.gz CDTOINHYEPFDED-UHFFFAOYSA-N -1 3 294.289 2.774 20 30 CFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccsc1 ZINC000747021101 574175607 /nfs/dbraw/zinc/17/56/07/574175607.db2.gz OZWJISRSJBZCMS-QMAVJUDZSA-N -1 3 297.339 2.504 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNCCCc1ccccc1 ZINC000729146370 574179256 /nfs/dbraw/zinc/17/92/56/574179256.db2.gz UFMMFQKVFFIPLS-UHFFFAOYSA-N -1 3 270.332 2.654 20 30 CFEDHM CCOc1ccc(/C=N/C[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000729150482 574179524 /nfs/dbraw/zinc/17/95/24/574179524.db2.gz VVWILFJXAZVSBG-QUYZQLMHSA-N -1 3 299.370 2.813 20 30 CFEDHM Cc1nc(Cl)cc(NN=Cc2cc(F)ccc2[O-])n1 ZINC000755741604 574183265 /nfs/dbraw/zinc/18/32/65/574183265.db2.gz AEDXHZSTHRDSQV-UHFFFAOYSA-N -1 3 280.690 2.729 20 30 CFEDHM Cc1nc(Cl)cc(N=NCc2cc(F)ccc2[O-])n1 ZINC000755741604 574183266 /nfs/dbraw/zinc/18/32/66/574183266.db2.gz AEDXHZSTHRDSQV-UHFFFAOYSA-N -1 3 280.690 2.729 20 30 CFEDHM COc1cccc([O-])c1C=NCc1cc2c([nH]c1=O)CCC2 ZINC000733081378 574187126 /nfs/dbraw/zinc/18/71/26/574187126.db2.gz WSLZZOYMGZUJRA-ZDLGFXPLSA-N -1 3 298.342 2.609 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171587 574200069 /nfs/dbraw/zinc/20/00/69/574200069.db2.gz CKIBAADWKSFOHG-XUJVJEKNSA-N -1 3 287.363 2.597 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@H](O)c1ccsc1 ZINC000739427578 574213204 /nfs/dbraw/zinc/21/32/04/574213204.db2.gz VMDFXEUJXSWUFY-FEZXJWFHSA-N -1 3 277.345 2.615 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)c1ccsc1 ZINC000739427579 574213507 /nfs/dbraw/zinc/21/35/07/574213507.db2.gz VMDFXEUJXSWUFY-QVYJARAXSA-N -1 3 277.345 2.615 20 30 CFEDHM CC(=NNC(=S)NCCC(C)C)c1ccc([O-])cc1F ZINC000729932081 574238257 /nfs/dbraw/zinc/23/82/57/574238257.db2.gz CACFWNPRBRDOEL-UHFFFAOYSA-N -1 3 297.399 2.766 20 30 CFEDHM CN1CCC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1=O ZINC000748286101 574245295 /nfs/dbraw/zinc/24/52/95/574245295.db2.gz PXOPVJYYOPAMDS-CLXYIWAZSA-N -1 3 282.343 2.585 20 30 CFEDHM N#Cc1ccsc1C(=O)[N-]c1cc(C(F)(F)F)no1 ZINC000748356242 574248902 /nfs/dbraw/zinc/24/89/02/574248902.db2.gz XKUQKZHYSMXUJA-UHFFFAOYSA-N -1 3 287.222 2.879 20 30 CFEDHM N#CCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748479640 574254583 /nfs/dbraw/zinc/25/45/83/574254583.db2.gz QXZPRTWFWFSBOR-UHFFFAOYSA-N -1 3 257.648 2.645 20 30 CFEDHM Cc1noc(C)c1[C@@H](C)/N=C\c1ccc(O)c([O-])c1O ZINC000733750142 574255297 /nfs/dbraw/zinc/25/52/97/574255297.db2.gz NTCZJQNWIWGSHV-YBNGVGCVSA-N -1 3 276.292 2.588 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNc1ccnc2ccccc21 ZINC000730147659 574255567 /nfs/dbraw/zinc/25/55/67/574255567.db2.gz HQAPVURFHOMQKE-UHFFFAOYSA-N -1 3 279.299 2.514 20 30 CFEDHM CCOC(=O)C1(C/N=C\c2c([O-])cccc2OC)CCC1 ZINC000740763946 574266082 /nfs/dbraw/zinc/26/60/82/574266082.db2.gz UOSGZNZZQYRDMN-YVLHZVERSA-N -1 3 291.347 2.553 20 30 CFEDHM C#CCOc1ccccc1CNC(=O)c1cc(C)ccc1[O-] ZINC000734104801 574273067 /nfs/dbraw/zinc/27/30/67/574273067.db2.gz WHQICVJPKGFEFG-UHFFFAOYSA-N -1 3 295.338 2.643 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC000741464103 574292002 /nfs/dbraw/zinc/29/20/02/574292002.db2.gz KWOIFEJPMNLCGK-AHMGIAEWSA-N -1 3 283.327 2.854 20 30 CFEDHM Cc1ncc2c(n1)CCC[C@@H]2/N=C\c1ccccc1[O-] ZINC000734752209 574301150 /nfs/dbraw/zinc/30/11/50/574301150.db2.gz BBCSNDAMTRVXHJ-WXARJGPPSA-N -1 3 267.332 2.987 20 30 CFEDHM Cc1nn(C)cc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000755592526 574302729 /nfs/dbraw/zinc/30/27/29/574302729.db2.gz IWBVVSKDPSHWGD-FNORWQNLSA-N -1 3 256.305 2.639 20 30 CFEDHM CCCCCC[C@@H](C)NN=C1c2ccc([O-])cc2NC1=O ZINC000743450435 574306194 /nfs/dbraw/zinc/30/61/94/574306194.db2.gz KZKJXRRYZQYRJG-LLVKDONJSA-N -1 3 289.379 2.997 20 30 CFEDHM C[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1cccc(C#N)c1 ZINC000743501930 574307544 /nfs/dbraw/zinc/30/75/44/574307544.db2.gz SXYIMUPTAOVGCP-SVXRXWARSA-N -1 3 282.299 2.855 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@H](O)CC(C)(C)C ZINC000735228784 574315966 /nfs/dbraw/zinc/31/59/66/574315966.db2.gz HUWYKSFCPRXETK-HPUUJOOBSA-N -1 3 265.353 2.617 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000735206494 574316516 /nfs/dbraw/zinc/31/65/16/574316516.db2.gz LDHBVHRAMUAOJL-BIPYJSMBSA-N -1 3 286.331 2.699 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000735209642 574316990 /nfs/dbraw/zinc/31/69/90/574316990.db2.gz ZEVIQQJGQHRNET-VYLZPFMQSA-N -1 3 270.332 2.999 20 30 CFEDHM C=CCCCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000735412500 574322548 /nfs/dbraw/zinc/32/25/48/574322548.db2.gz DPSJGLLBZRMELQ-UHFFFAOYSA-N -1 3 275.381 2.937 20 30 CFEDHM C=CCCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000735412500 574322549 /nfs/dbraw/zinc/32/25/49/574322549.db2.gz DPSJGLLBZRMELQ-UHFFFAOYSA-N -1 3 275.381 2.937 20 30 CFEDHM C=CCCCN(C)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735412620 574322746 /nfs/dbraw/zinc/32/27/46/574322746.db2.gz FRKDOOGXGQWYLN-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCCN(C)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735412620 574322747 /nfs/dbraw/zinc/32/27/47/574322747.db2.gz FRKDOOGXGQWYLN-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCCN(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735412941 574322914 /nfs/dbraw/zinc/32/29/14/574322914.db2.gz NECVBKBEYFVNGY-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCCN(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735412941 574322915 /nfs/dbraw/zinc/32/29/15/574322915.db2.gz NECVBKBEYFVNGY-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735408539 574323654 /nfs/dbraw/zinc/32/36/54/574323654.db2.gz NLZVAHFNLTTWGF-UHFFFAOYSA-N -1 3 299.378 2.685 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735408539 574323656 /nfs/dbraw/zinc/32/36/56/574323656.db2.gz NLZVAHFNLTTWGF-UHFFFAOYSA-N -1 3 299.378 2.685 20 30 CFEDHM N#Cc1cc(F)ccc1COC(=O)c1ccc(F)cc1[O-] ZINC000750146236 574327854 /nfs/dbraw/zinc/32/78/54/574327854.db2.gz QVRVZNZKXMYSDR-UHFFFAOYSA-N -1 3 289.237 2.899 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739052654 574329023 /nfs/dbraw/zinc/32/90/23/574329023.db2.gz HTYGZFGWMAAHKI-DOMZBBRYSA-N -1 3 287.363 2.693 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000743501935 574367246 /nfs/dbraw/zinc/36/72/46/574367246.db2.gz TTXWDAJSXADFFN-NUSHWZLESA-N -1 3 295.342 2.640 20 30 CFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc([O-])cs1 ZINC000743657029 574370270 /nfs/dbraw/zinc/37/02/70/574370270.db2.gz IXNYXUWMTLJYSD-UHFFFAOYSA-N -1 3 291.303 2.857 20 30 CFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])C=CC1CC1 ZINC000744025153 574375763 /nfs/dbraw/zinc/37/57/63/574375763.db2.gz HMOMFLDUPZQMAX-UTPRNQHHSA-N -1 3 288.734 2.954 20 30 CFEDHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1=COCC1 ZINC000744016085 574375779 /nfs/dbraw/zinc/37/57/79/574375779.db2.gz IVBHNMMZIDSYIP-CYBMUJFWSA-N -1 3 294.310 2.672 20 30 CFEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C1=COCC1 ZINC000744016085 574375780 /nfs/dbraw/zinc/37/57/80/574375780.db2.gz IVBHNMMZIDSYIP-CYBMUJFWSA-N -1 3 294.310 2.672 20 30 CFEDHM N#Cc1ccc(C(=O)O[C@H]2CCc3ccc(F)cc32)[n-]1 ZINC000752511354 574392250 /nfs/dbraw/zinc/39/22/50/574392250.db2.gz ABUPLBIAXGDBFH-AWEZNQCLSA-N -1 3 270.263 2.870 20 30 CFEDHM COC(=O)c1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)c[nH]1 ZINC000753142838 574399237 /nfs/dbraw/zinc/39/92/37/574399237.db2.gz AMVXZBHEFCDIER-HYXAFXHYSA-N -1 3 285.299 2.711 20 30 CFEDHM CC[C@@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820971816 607253858 /nfs/dbraw/zinc/25/38/58/607253858.db2.gz GIPARPRUBYWUQF-GFCCVEGCSA-N -1 3 298.394 2.913 20 30 CFEDHM CC[C@@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820971816 607253859 /nfs/dbraw/zinc/25/38/59/607253859.db2.gz GIPARPRUBYWUQF-GFCCVEGCSA-N -1 3 298.394 2.913 20 30 CFEDHM CCC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820973122 607253973 /nfs/dbraw/zinc/25/39/73/607253973.db2.gz UIJWSRUFEBYAIK-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CCC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820973122 607253974 /nfs/dbraw/zinc/25/39/74/607253974.db2.gz UIJWSRUFEBYAIK-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CCNc1nc(C(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000900094552 620637343 /nfs/dbraw/zinc/63/73/43/620637343.db2.gz PMPWXGYTPFAXQE-UHFFFAOYSA-N -1 3 295.339 2.746 20 30 CFEDHM Cc1nc(CC(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000900096065 620637650 /nfs/dbraw/zinc/63/76/50/620637650.db2.gz PSLFERWNAGUWKS-UHFFFAOYSA-N -1 3 280.324 2.551 20 30 CFEDHM CC(CC1CCCC1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824392449 607782989 /nfs/dbraw/zinc/78/29/89/607782989.db2.gz ODPHXCNZDOJSDF-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC(CC1CCCC1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824392449 607782990 /nfs/dbraw/zinc/78/29/90/607782990.db2.gz ODPHXCNZDOJSDF-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC(C)CON=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000824272349 607530245 /nfs/dbraw/zinc/53/02/45/607530245.db2.gz WHFXLCSHRYACEL-UHFFFAOYSA-N -1 3 285.351 2.580 20 30 CFEDHM CC(C)CON=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000824272349 607530247 /nfs/dbraw/zinc/53/02/47/607530247.db2.gz WHFXLCSHRYACEL-UHFFFAOYSA-N -1 3 285.351 2.580 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826269049 607571269 /nfs/dbraw/zinc/57/12/69/607571269.db2.gz YVBLZOFMAXYHNQ-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826269049 607571271 /nfs/dbraw/zinc/57/12/71/607571271.db2.gz YVBLZOFMAXYHNQ-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C[C@@H]1CC[C@H](C)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833602030 604609944 /nfs/dbraw/zinc/60/99/44/604609944.db2.gz HFPLGLXETZAPDK-NWDGAFQWSA-N -1 3 272.348 2.877 20 30 CFEDHM CCCCCCCC[C@@H](N)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000900455073 620678487 /nfs/dbraw/zinc/67/84/87/620678487.db2.gz XNMUXLJQKPXYHP-CYBMUJFWSA-N -1 3 298.427 2.578 20 30 CFEDHM CCCCCCCC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000900457827 620679189 /nfs/dbraw/zinc/67/91/89/620679189.db2.gz XJEZGCBOKRYCIO-KBPBESRZSA-N -1 3 298.427 2.530 20 30 CFEDHM C=C[C@@H](CC)CC(=O)[N-]OCc1ccccc1OC ZINC000935812693 649951292 /nfs/dbraw/zinc/95/12/92/649951292.db2.gz QCMICVNTEFBVPE-LBPRGKRZSA-N -1 3 263.337 2.845 20 30 CFEDHM C=CCN(CCc1ccco1)Cc1occc1C(=O)[O-] ZINC000833374698 605477241 /nfs/dbraw/zinc/47/72/41/605477241.db2.gz YPLFJKGWCZYIRR-UHFFFAOYSA-N -1 3 275.304 2.802 20 30 CFEDHM C=CCN(CCc1ccco1)Cc1ccoc1C(=O)[O-] ZINC000833374151 605477395 /nfs/dbraw/zinc/47/73/95/605477395.db2.gz BAFFFIWRGPNDFK-UHFFFAOYSA-N -1 3 275.304 2.802 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccs1 ZINC000822923799 606302795 /nfs/dbraw/zinc/30/27/95/606302795.db2.gz UQHHIROQCYYSHZ-ARJAWSKDSA-N -1 3 288.357 2.886 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccs1 ZINC000822923799 606302797 /nfs/dbraw/zinc/30/27/97/606302797.db2.gz UQHHIROQCYYSHZ-ARJAWSKDSA-N -1 3 288.357 2.886 20 30 CFEDHM Cc1cc(C)cc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822197739 606369331 /nfs/dbraw/zinc/36/93/31/606369331.db2.gz NGMBPYFDFGWPMZ-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCCCC(C)(C)C#N ZINC000822220059 606827337 /nfs/dbraw/zinc/82/73/37/606827337.db2.gz BKRFYRKLOUUEOW-UHFFFAOYSA-N -1 3 284.367 2.917 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCCCC(C)(C)C#N ZINC000822220059 606827339 /nfs/dbraw/zinc/82/73/39/606827339.db2.gz BKRFYRKLOUUEOW-UHFFFAOYSA-N -1 3 284.367 2.917 20 30 CFEDHM N#CCSCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000822815530 607015989 /nfs/dbraw/zinc/01/59/89/607015989.db2.gz SFTDBCRQPQVLIO-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM N#CCSCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000822815530 607015991 /nfs/dbraw/zinc/01/59/91/607015991.db2.gz SFTDBCRQPQVLIO-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM N#Cc1c(F)cccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822818829 607129084 /nfs/dbraw/zinc/12/90/84/607129084.db2.gz GZXAFVSZIYTQAW-UHFFFAOYSA-N -1 3 299.240 2.809 20 30 CFEDHM N#Cc1c(F)cccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822818829 607129086 /nfs/dbraw/zinc/12/90/86/607129086.db2.gz GZXAFVSZIYTQAW-UHFFFAOYSA-N -1 3 299.240 2.809 20 30 CFEDHM Cc1cccc(NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826299633 607882074 /nfs/dbraw/zinc/88/20/74/607882074.db2.gz NNSVNRVEMYNGKM-UHFFFAOYSA-N -1 3 278.319 2.621 20 30 CFEDHM Cc1cccc(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826299633 607882075 /nfs/dbraw/zinc/88/20/75/607882075.db2.gz NNSVNRVEMYNGKM-UHFFFAOYSA-N -1 3 278.319 2.621 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000826281299 607884320 /nfs/dbraw/zinc/88/43/20/607884320.db2.gz LUCAAJGGVGRHPF-FPLPWBNLSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000826281299 607884321 /nfs/dbraw/zinc/88/43/21/607884321.db2.gz LUCAAJGGVGRHPF-FPLPWBNLSA-N -1 3 280.287 2.664 20 30 CFEDHM CCc1ccccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000825728626 607885953 /nfs/dbraw/zinc/88/59/53/607885953.db2.gz SZYIMEAMDRSWJZ-UHFFFAOYSA-N -1 3 292.346 2.875 20 30 CFEDHM CCc1ccccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000825728626 607885954 /nfs/dbraw/zinc/88/59/54/607885954.db2.gz SZYIMEAMDRSWJZ-UHFFFAOYSA-N -1 3 292.346 2.875 20 30 CFEDHM CCCCCCN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825267676 607886089 /nfs/dbraw/zinc/88/60/89/607886089.db2.gz LLEWWFUHTPIAIL-UHFFFAOYSA-N -1 3 258.329 2.845 20 30 CFEDHM CCCCCCN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825267676 607886090 /nfs/dbraw/zinc/88/60/90/607886090.db2.gz LLEWWFUHTPIAIL-UHFFFAOYSA-N -1 3 258.329 2.845 20 30 CFEDHM Cc1ccc(F)c(NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826289769 607889513 /nfs/dbraw/zinc/88/95/13/607889513.db2.gz MCVJZYZEKOBGIV-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1ccc(F)c(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826289769 607889514 /nfs/dbraw/zinc/88/95/14/607889514.db2.gz MCVJZYZEKOBGIV-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C=C(CC)COc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000823878065 608289040 /nfs/dbraw/zinc/28/90/40/608289040.db2.gz NGFOCGSVWOKNKX-UHFFFAOYSA-N -1 3 294.742 2.874 20 30 CFEDHM C=C(CC)COc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000823878065 608289041 /nfs/dbraw/zinc/28/90/41/608289041.db2.gz NGFOCGSVWOKNKX-UHFFFAOYSA-N -1 3 294.742 2.874 20 30 CFEDHM CCC(CC)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825083160 608535583 /nfs/dbraw/zinc/53/55/83/608535583.db2.gz XYNUCOLKUGFMFR-UHFFFAOYSA-N -1 3 293.762 2.749 20 30 CFEDHM CCC(CC)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825083160 608535584 /nfs/dbraw/zinc/53/55/84/608535584.db2.gz XYNUCOLKUGFMFR-UHFFFAOYSA-N -1 3 293.762 2.749 20 30 CFEDHM Cc1cc([O-])c(CN(CC#N)C2CC2)cc1Cl ZINC000824618341 623532858 /nfs/dbraw/zinc/53/28/58/623532858.db2.gz RMOMAIPDAAGRCD-UHFFFAOYSA-N -1 3 250.729 2.842 20 30 CFEDHM CCCCCCN([O-])C(=O)Cn1nc(C)c2cccnc21 ZINC000900677667 620701140 /nfs/dbraw/zinc/70/11/40/620701140.db2.gz ANPACAOSDGKYBK-UHFFFAOYSA-N -1 3 290.367 2.538 20 30 CFEDHM C[C@H]1CCCC[C@H]1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824936636 609468915 /nfs/dbraw/zinc/46/89/15/609468915.db2.gz KRANHMUHHZTOEI-WFASDCNBSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCCC[C@H]1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824936636 609468918 /nfs/dbraw/zinc/46/89/18/609468918.db2.gz KRANHMUHHZTOEI-WFASDCNBSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1C[C@H]1CN=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824898040 609470889 /nfs/dbraw/zinc/47/08/89/609470889.db2.gz CQCAMQXSQQLYQM-YUMQZZPRSA-N -1 3 276.731 2.574 20 30 CFEDHM C[C@H]1C[C@H]1CN=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824898040 609470891 /nfs/dbraw/zinc/47/08/91/609470891.db2.gz CQCAMQXSQQLYQM-YUMQZZPRSA-N -1 3 276.731 2.574 20 30 CFEDHM C#CCOc1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC000187217116 617679076 /nfs/dbraw/zinc/67/90/76/617679076.db2.gz KIOVHRAODDOQOT-UHFFFAOYSA-N -1 3 297.310 2.665 20 30 CFEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c([O-])c1 ZINC000901302037 620780257 /nfs/dbraw/zinc/78/02/57/620780257.db2.gz ZEZWZWZUCFTDBV-UWVGGRQHSA-N -1 3 280.343 2.801 20 30 CFEDHM CC(=NN[C@@H]1CCCSC1)c1ccc(F)c([O-])c1 ZINC000901277866 620775238 /nfs/dbraw/zinc/77/52/38/620775238.db2.gz IAWBZPVDAVCIHL-LLVKDONJSA-N -1 3 268.357 2.741 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(C(F)F)c1 ZINC000846554230 618114920 /nfs/dbraw/zinc/11/49/20/618114920.db2.gz IKVAGONVMMYQIY-VIFPVBQESA-N -1 3 255.264 2.789 20 30 CFEDHM Cn1cc(CCC/N=C\c2cc(Cl)ccc2[O-])cn1 ZINC000255564024 618123567 /nfs/dbraw/zinc/12/35/67/618123567.db2.gz YPOWPFGPCPFDCZ-SXGWCWSVSA-N -1 3 277.755 2.831 20 30 CFEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1ccc([O-])cc1F ZINC000901311628 620783214 /nfs/dbraw/zinc/78/32/14/620783214.db2.gz VPORQECCZFGVDX-UWVGGRQHSA-N -1 3 280.343 2.801 20 30 CFEDHM C=CCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCOCC1 ZINC000901372025 620797487 /nfs/dbraw/zinc/79/74/87/620797487.db2.gz NFKYOERHIKSBDP-UHFFFAOYSA-N -1 3 293.338 2.916 20 30 CFEDHM O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000901372269 620797544 /nfs/dbraw/zinc/79/75/44/620797544.db2.gz BKVDHRKMUZIYQJ-JHJVBQTASA-N -1 3 263.312 2.980 20 30 CFEDHM CC[C@H](NCc1cscn1)c1cccc(C#N)c1[O-] ZINC000924873240 618360173 /nfs/dbraw/zinc/36/01/73/618360173.db2.gz QISQROQRXDSSEO-ZDUSSCGKSA-N -1 3 273.361 2.961 20 30 CFEDHM C#C[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895184998 618447833 /nfs/dbraw/zinc/44/78/33/618447833.db2.gz YXSQWTRRSAZODM-JTQLQIEISA-N -1 3 251.276 2.516 20 30 CFEDHM CO[C@@H](C)CC/N=C/c1cc(Br)ccc1[O-] ZINC000726429877 618474800 /nfs/dbraw/zinc/47/48/00/618474800.db2.gz SZCLCSNWKWXIJZ-PFMRQGHBSA-N -1 3 286.169 2.999 20 30 CFEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(=O)[n-]c(C)n2)c1 ZINC000892526993 618610209 /nfs/dbraw/zinc/61/02/09/618610209.db2.gz FFJTUPQJWDNLNC-CYBMUJFWSA-N -1 3 298.346 2.784 20 30 CFEDHM Cc1cc([O-])c(C=NOC[C@@H]2CCOC2)cc1Cl ZINC000853337477 618812140 /nfs/dbraw/zinc/81/21/40/618812140.db2.gz KFSFUEHEVFDZIH-SNVBAGLBSA-N -1 3 269.728 2.741 20 30 CFEDHM COCCON=C(C)c1ccc2ccccc2c1[O-] ZINC000748790064 619502123 /nfs/dbraw/zinc/50/21/23/619502123.db2.gz ZKFFDJBXSMLAHU-UHFFFAOYSA-N -1 3 259.305 2.932 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCCC2(F)F)c1[O-] ZINC000840707405 619865763 /nfs/dbraw/zinc/86/57/63/619865763.db2.gz OYQGRYJEECIXAD-QTPLJXKRSA-N -1 3 298.333 2.832 20 30 CFEDHM N#Cc1ccc(CO[N-]C(=O)CCOc2ccccc2)cc1 ZINC000109744074 620146214 /nfs/dbraw/zinc/14/62/14/620146214.db2.gz ZEDYSMFWTWZCLK-UHFFFAOYSA-N -1 3 296.326 2.575 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)C1 ZINC000898096101 620337832 /nfs/dbraw/zinc/33/78/32/620337832.db2.gz OHKWUBNNHUFRTK-UHFFFAOYSA-N -1 3 291.351 2.660 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)C1 ZINC000898096101 620337834 /nfs/dbraw/zinc/33/78/34/620337834.db2.gz OHKWUBNNHUFRTK-UHFFFAOYSA-N -1 3 291.351 2.660 20 30 CFEDHM C=CCCO[N-]C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000898939691 620508625 /nfs/dbraw/zinc/50/86/25/620508625.db2.gz UWHMUNXBQKYZQY-UHFFFAOYSA-N -1 3 293.363 2.650 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000899231690 620533840 /nfs/dbraw/zinc/53/38/40/620533840.db2.gz GAPOYEYEHDNVJN-BJGNFJQCSA-N -1 3 263.724 2.640 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2cc3n(n2)CCCC3)cc(O)c1[O-] ZINC000901527400 620846281 /nfs/dbraw/zinc/84/62/81/620846281.db2.gz ZBGLLPMGINZOJA-WAYWQWQTSA-N -1 3 298.342 2.835 20 30 CFEDHM C=CCCSCCNCc1cc(C(=O)[O-])c(CC)o1 ZINC000902390434 621062236 /nfs/dbraw/zinc/06/22/36/621062236.db2.gz GIYVPMHWBWDXOZ-UHFFFAOYSA-N -1 3 283.393 2.939 20 30 CFEDHM O=C([C@@H]1[C@@H]2CCC(=O)[C@@H]21)N([O-])Cc1cccc2ccccc21 ZINC000904173735 621542122 /nfs/dbraw/zinc/54/21/22/621542122.db2.gz UDHDCHFBVYXLIP-DJIMGWMZSA-N -1 3 295.338 2.783 20 30 CFEDHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173889 621542202 /nfs/dbraw/zinc/54/22/02/621542202.db2.gz SHPZAQZNBMAROI-CMPLNLGQSA-N -1 3 279.311 2.549 20 30 CFEDHM CC[C@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174348 621542234 /nfs/dbraw/zinc/54/22/34/621542234.db2.gz ZPLGBLPINPAUBH-OCCSQVGLSA-N -1 3 281.327 2.749 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(CCF)CC1 ZINC000904177619 621543174 /nfs/dbraw/zinc/54/31/74/621543174.db2.gz JPSQAQFAFZPHOM-UHFFFAOYSA-N -1 3 255.264 2.683 20 30 CFEDHM Cc1cc(C2(C(=O)N([O-])Cc3ccc(F)cc3)CC2)on1 ZINC000904178597 621544142 /nfs/dbraw/zinc/54/41/42/621544142.db2.gz PAVHJFLOUOFZQF-UHFFFAOYSA-N -1 3 290.294 2.572 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@]12CCC[C@H]1OCC2 ZINC000904207281 621544204 /nfs/dbraw/zinc/54/42/04/621544204.db2.gz XVUNULAWBCPDDV-OCCSQVGLSA-N -1 3 255.358 2.744 20 30 CFEDHM CCCCN([O-])C(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000904208932 621545102 /nfs/dbraw/zinc/54/51/02/621545102.db2.gz MVKISABVRMZAAZ-UHFFFAOYSA-N -1 3 253.346 2.578 20 30 CFEDHM CCCCN([O-])C(=O)CCCc1csc(C)n1 ZINC000904209935 621545118 /nfs/dbraw/zinc/54/51/18/621545118.db2.gz AXQHHLXHHSWGMS-UHFFFAOYSA-N -1 3 256.371 2.792 20 30 CFEDHM O=C(c1cn2c(n1)CCC2)N([O-])Cc1ccccc1Cl ZINC000904193207 621546730 /nfs/dbraw/zinc/54/67/30/621546730.db2.gz LPCWQXLKAFQBCG-UHFFFAOYSA-N -1 3 291.738 2.514 20 30 CFEDHM CS[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201099 621549139 /nfs/dbraw/zinc/54/91/39/621549139.db2.gz IVGRFZNNYYONAD-GFCCVEGCSA-N -1 3 267.394 2.979 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)OCCc1ccccc1 ZINC000904215001 621550956 /nfs/dbraw/zinc/55/09/56/621550956.db2.gz VWYXOZBPMFBIPS-ZDUSSCGKSA-N -1 3 265.353 2.652 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)OC[C@@H]1CCCCO1 ZINC000904205327 621551007 /nfs/dbraw/zinc/55/10/07/621551007.db2.gz IBJSPGXWBJLSQE-KBPBESRZSA-N -1 3 287.400 2.759 20 30 CFEDHM CCCCCCN([O-])C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000904205596 621551336 /nfs/dbraw/zinc/55/13/36/621551336.db2.gz OGXMXBSDDYKZSZ-UHFFFAOYSA-N -1 3 289.335 2.747 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000904215508 621551517 /nfs/dbraw/zinc/55/15/17/621551517.db2.gz AVBNCBIAHHKDRC-GFCCVEGCSA-N -1 3 255.358 2.744 20 30 CFEDHM CCCCN([O-])C(=O)C1(c2cccc(OC)c2)CC1 ZINC000904212324 621553933 /nfs/dbraw/zinc/55/39/33/621553933.db2.gz DFTWKFIIYGHMOO-UHFFFAOYSA-N -1 3 263.337 2.745 20 30 CFEDHM CCCCN([O-])C(=O)CC1(CC(=O)OC)CCCC1 ZINC000904212188 621553997 /nfs/dbraw/zinc/55/39/97/621553997.db2.gz AIKMSIYXDCAQJB-UHFFFAOYSA-N -1 3 271.357 2.518 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000904212233 621554002 /nfs/dbraw/zinc/55/40/02/621554002.db2.gz MJZLKRAWRNUNPI-VIFPVBQESA-N -1 3 253.346 2.538 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000904211760 621554029 /nfs/dbraw/zinc/55/40/29/621554029.db2.gz DEFRKNQJBHKHOB-STQMWFEESA-N -1 3 257.374 2.846 20 30 CFEDHM CCCCN([O-])C(=O)c1ccc(OCC(F)(F)F)o1 ZINC000904214944 621554908 /nfs/dbraw/zinc/55/49/08/621554908.db2.gz SSNPIEYVXRWOCN-UHFFFAOYSA-N -1 3 281.230 2.852 20 30 CFEDHM C=C1CCC(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC000908334705 622216922 /nfs/dbraw/zinc/21/69/22/622216922.db2.gz CZYDZYPTNBVQIW-UHFFFAOYSA-N -1 3 271.320 2.953 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1nnc2n1CCCC2 ZINC000044011817 622454583 /nfs/dbraw/zinc/45/45/83/622454583.db2.gz NDUDJDRVQSJLOX-LZYBPNLTSA-N -1 3 290.754 2.593 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000911901525 622567265 /nfs/dbraw/zinc/56/72/65/622567265.db2.gz JYCZAJSUPAXVAC-UHFFFAOYSA-N -1 3 261.321 2.664 20 30 CFEDHM C=CCCO[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000912628658 622752756 /nfs/dbraw/zinc/75/27/56/622752756.db2.gz DQCFTNZWUWIEMI-UHFFFAOYSA-N -1 3 261.321 2.664 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)Cc1cccc(OC)c1 ZINC000824028577 623435947 /nfs/dbraw/zinc/43/59/47/623435947.db2.gz MGWKYLRBZBQJRX-ZDUSSCGKSA-N -1 3 277.364 2.888 20 30 CFEDHM C=C(C)CO[N-]C(=O)Nc1nnc(CCC(C)C)s1 ZINC000824212368 623470225 /nfs/dbraw/zinc/47/02/25/623470225.db2.gz GGTWESMEESDAPD-UHFFFAOYSA-N -1 3 284.385 2.756 20 30 CFEDHM N#Cc1cc(F)c(C(=O)[N-]OCc2ccccc2)c(F)c1 ZINC000151579324 623533189 /nfs/dbraw/zinc/53/31/89/623533189.db2.gz SZHNEWHXEKNOFF-UHFFFAOYSA-N -1 3 288.253 2.698 20 30 CFEDHM CC1(C)CCC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824796011 623567204 /nfs/dbraw/zinc/56/72/04/623567204.db2.gz LMTZURNJYVEYDA-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC1(C)CCC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824796011 623567208 /nfs/dbraw/zinc/56/72/08/623567208.db2.gz LMTZURNJYVEYDA-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccc(C)c(Cl)c1 ZINC000825565441 623716613 /nfs/dbraw/zinc/71/66/13/623716613.db2.gz DFCIMADONMJABP-UHFFFAOYSA-N -1 3 253.729 2.815 20 30 CFEDHM [O-]c1ccc2ccccc2c1C=NOC[C@@H]1CCOC1 ZINC000788031670 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CC(=O)c1cc(F)cc(CN([C@@H](C)C#N)C2CC2)c1[O-] ZINC000852479426 634755819 /nfs/dbraw/zinc/75/58/19/634755819.db2.gz GFRQZYZYJCZQNQ-VIFPVBQESA-N -1 3 276.311 2.610 20 30 CFEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000802038815 630498988 /nfs/dbraw/zinc/49/89/88/630498988.db2.gz RKDUHDBLVFVCPX-CYBMUJFWSA-N -1 3 280.331 2.595 20 30 CFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000804460230 630684246 /nfs/dbraw/zinc/68/42/46/630684246.db2.gz VUUJLKROSSKIBA-HNNXBMFYSA-N -1 3 279.339 2.757 20 30 CFEDHM C=CCO[N-]C(=O)CCOc1ccc(Cl)cc1Cl ZINC000837044750 630944314 /nfs/dbraw/zinc/94/43/14/630944314.db2.gz SIBWQIPARBLFOL-UHFFFAOYSA-N -1 3 290.146 2.996 20 30 CFEDHM O=C(C#CC1CC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000837489125 631046257 /nfs/dbraw/zinc/04/62/57/631046257.db2.gz VBFFNGHHVABAJS-UHFFFAOYSA-N -1 3 283.249 2.667 20 30 CFEDHM CSC[C@@](C)(C#N)[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000809136180 631087666 /nfs/dbraw/zinc/08/76/66/631087666.db2.gz CLWOIQSRPYDBBS-CYBMUJFWSA-N -1 3 298.358 2.626 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SCPRJQWEHMOZJY-NSHDSACASA-N -1 3 290.298 2.665 20 30 CFEDHM C=CCO[N-]C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000819559694 633381232 /nfs/dbraw/zinc/38/12/32/633381232.db2.gz QDUSSUNLEJOCNR-TVUZUIDESA-N -1 3 277.286 2.835 20 30 CFEDHM COC[C@@H](CC/N=C/c1cc(Cl)ccc1[O-])OC ZINC000849169406 633576956 /nfs/dbraw/zinc/57/69/56/633576956.db2.gz CHFWPKCQLKZPRT-AZZDOICSSA-N -1 3 271.744 2.516 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2Cc3ccccc3[C@@H]2C)c1[O-] ZINC000849170040 633578347 /nfs/dbraw/zinc/57/83/47/633578347.db2.gz KBNUVWBBXPYVJU-SHCQCUIISA-N -1 3 296.370 2.735 20 30 CFEDHM Cc1cc(C)cc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000849171755 633579181 /nfs/dbraw/zinc/57/91/81/633579181.db2.gz FPLHDSHLPZOSKB-NVMNQCDNSA-N -1 3 284.359 2.824 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)C2CCC(F)CC2)c1[O-] ZINC000852999190 634871688 /nfs/dbraw/zinc/87/16/88/634871688.db2.gz XXCALWSGGDQTIX-LNTBNZGQSA-N -1 3 294.370 2.924 20 30 CFEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000854530809 635329252 /nfs/dbraw/zinc/32/92/52/635329252.db2.gz BIJNQFBYFKMQDK-CQSZACIVSA-N -1 3 294.301 2.595 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCC[C@H](O)c1ccccc1 ZINC000855026960 635445231 /nfs/dbraw/zinc/44/52/31/635445231.db2.gz UXOLWCNBMVZMGO-AWEZNQCLSA-N -1 3 263.337 2.514 20 30 CFEDHM C#CCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857137227 635934355 /nfs/dbraw/zinc/93/43/55/635934355.db2.gz AAWXNEMCXVDFHK-UHFFFAOYSA-N -1 3 271.238 2.554 20 30 CFEDHM C#C[C@H](CC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857191535 635943378 /nfs/dbraw/zinc/94/33/78/635943378.db2.gz OMKDWETVMCYKDX-SNVBAGLBSA-N -1 3 271.238 2.553 20 30 CFEDHM C#CC[C@@H](COC)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000858859089 636361392 /nfs/dbraw/zinc/36/13/92/636361392.db2.gz AAFAULVTQHRFPX-LBPRGKRZSA-N -1 3 291.738 2.840 20 30 CFEDHM C#CCCCOC(=O)c1cc([O-])cc(Br)c1 ZINC000860201021 636824763 /nfs/dbraw/zinc/82/47/63/636824763.db2.gz DEKVIPFKOXJPFG-UHFFFAOYSA-N -1 3 283.121 2.725 20 30 CFEDHM C#CC[C@H](CCOC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000863780652 637776803 /nfs/dbraw/zinc/77/68/03/637776803.db2.gz CFMUDFSIVDQZJD-OAHLLOKOSA-N -1 3 297.354 2.704 20 30 CFEDHM COC(=O)C1=CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000864344620 637945579 /nfs/dbraw/zinc/94/55/79/637945579.db2.gz CTYJIXGSPUUKFI-VJMCZWTHSA-N -1 3 279.723 2.726 20 30 CFEDHM C=CC(C)(C)CC/N=C\c1c([O-])c(C)ncc1CO ZINC000864345451 637945884 /nfs/dbraw/zinc/94/58/84/637945884.db2.gz XFXGRFSKAAMBLD-SXGWCWSVSA-N -1 3 262.353 2.609 20 30 CFEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCN1C1CCC1 ZINC000864346846 637946566 /nfs/dbraw/zinc/94/65/66/637946566.db2.gz FMQYEPGYCYXYCI-OLWAXZHHSA-N -1 3 292.766 2.618 20 30 CFEDHM C=C(Cl)C[C@H](NCc1ccc(Cl)o1)C(=O)[O-] ZINC000864519284 638009766 /nfs/dbraw/zinc/00/97/66/638009766.db2.gz KNGHDADKOVKJLZ-QMMMGPOBSA-N -1 3 264.108 2.618 20 30 CFEDHM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])[nH]1 ZINC000866312155 638795284 /nfs/dbraw/zinc/79/52/84/638795284.db2.gz LIEAANXIMFNFAR-WDEREUQCSA-N -1 3 299.378 2.917 20 30 CFEDHM CCn1ccnc1[C@H](C)N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866366983 638805846 /nfs/dbraw/zinc/80/58/46/638805846.db2.gz DYJIFOMDQQDWCO-NEPJUHHUSA-N -1 3 284.363 2.892 20 30 CFEDHM CCc1ncc(CN[C@@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866372292 638807702 /nfs/dbraw/zinc/80/77/02/638807702.db2.gz QRXZXIIJQOARTJ-JTQLQIEISA-N -1 3 271.320 2.665 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1coc2c1ccc(OC)c2C ZINC000869153699 639050925 /nfs/dbraw/zinc/05/09/25/639050925.db2.gz VLNTXGOKKFLXNO-UHFFFAOYSA-N -1 3 289.331 2.916 20 30 CFEDHM N#Cc1cccc(O[N-]C(=O)C[C@@H]2C=CCCC2)c1 ZINC000870690695 639773364 /nfs/dbraw/zinc/77/33/64/639773364.db2.gz CPTBDPUKSBUJAH-GFCCVEGCSA-N -1 3 256.305 2.715 20 30 CFEDHM C=C(C)[C@H](CC(=O)[N-]OCCCC(F)(F)F)OCC ZINC000871215031 641251623 /nfs/dbraw/zinc/25/16/23/641251623.db2.gz YMPFHZNCVLOOAS-JTQLQIEISA-N -1 3 283.290 2.748 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CCC[C@H]2C=CCC2)c1[O-] ZINC000871596748 641361529 /nfs/dbraw/zinc/36/15/29/641361529.db2.gz CLMUQTDXCXOZMJ-NWRYFCBHSA-N -1 3 274.364 2.753 20 30 CFEDHM N#Cc1c([N-]C(=O)c2cnsn2)sc2c1CCCC2 ZINC000193545075 650667300 /nfs/dbraw/zinc/66/73/00/650667300.db2.gz GZCRVJCGJOGWJY-UHFFFAOYSA-N -1 3 290.373 2.602 20 30 CFEDHM [O-]c1ccc(C=NNC[C@H]2CCCC2(F)F)c(F)c1 ZINC000872406138 641796008 /nfs/dbraw/zinc/79/60/08/641796008.db2.gz SSJSSYFUZANJNQ-SNVBAGLBSA-N -1 3 272.270 2.890 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)CC ZINC000126202292 643046386 /nfs/dbraw/zinc/04/63/86/643046386.db2.gz ZSXWRKBPWKIZPI-AWEZNQCLSA-N -1 3 296.317 2.986 20 30 CFEDHM C=C(C)C[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000877690323 643457125 /nfs/dbraw/zinc/45/71/25/643457125.db2.gz QUWGMVUEWZFYCV-LBPRGKRZSA-N -1 3 283.755 2.643 20 30 CFEDHM CCc1nn(C)cc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000092198879 650915897 /nfs/dbraw/zinc/91/58/97/650915897.db2.gz TULJCZPEGDPRDK-VOTSOKGWSA-N -1 3 286.331 2.593 20 30 CFEDHM C=C1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928710920 648946723 /nfs/dbraw/zinc/94/67/23/648946723.db2.gz OKSUCFXXYQJEMH-UHFFFAOYSA-N -1 3 263.312 2.894 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCOC[C@@H]1CCCO1 ZINC000114990779 651250092 /nfs/dbraw/zinc/25/00/92/651250092.db2.gz ADJCGGRAGPMMMR-WFSQQTBHSA-N -1 3 283.755 2.660 20 30 CFEDHM N#Cc1c[nH]c2ncc(-c3cccc([O-])c3F)cc12 ZINC001243546780 782270389 /nfs/dbraw/zinc/27/03/89/782270389.db2.gz GCSMRXKQMNFXJQ-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM N#Cc1cnc2ccc(-c3cccc([O-])c3F)cn12 ZINC001243547370 782271131 /nfs/dbraw/zinc/27/11/31/782271131.db2.gz QRBIMXRTYAYXEM-UHFFFAOYSA-N -1 3 253.236 2.718 20 30 CFEDHM N#Cc1ccccc1OC1CN(Cc2cccc([O-])c2F)C1 ZINC001233055538 777781873 /nfs/dbraw/zinc/78/18/73/777781873.db2.gz SXTXUGRCASGPKP-UHFFFAOYSA-N -1 3 298.317 2.666 20 30 CFEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000128137495 778482760 /nfs/dbraw/zinc/48/27/60/778482760.db2.gz JCHWYUCTYWBXBG-GFCCVEGCSA-N -1 3 268.272 2.549 20 30 CFEDHM Cc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc1C(F)(F)F ZINC000088477616 769846059 /nfs/dbraw/zinc/84/60/59/769846059.db2.gz LHWHVWLIZIJADI-QMMMGPOBSA-N -1 3 292.282 2.668 20 30 CFEDHM N#Cc1nc(Cl)c([N-]c2cnccc2Cl)nc1C#N ZINC001211210263 770450550 /nfs/dbraw/zinc/45/05/50/770450550.db2.gz YRNPGDBYXZMFQT-UHFFFAOYSA-N -1 3 291.101 2.665 20 30 CFEDHM Cc1ncc(Nc2cccc(Cl)c2C#N)c(=O)[n-]1 ZINC001216127323 770743552 /nfs/dbraw/zinc/74/35/52/770743552.db2.gz MOVOTDMHIFZECO-UHFFFAOYSA-N -1 3 260.684 2.759 20 30 CFEDHM COc1ncc(Nc2onc(C(C)(C)C)c2C#N)cc1[O-] ZINC001216207136 770790922 /nfs/dbraw/zinc/79/09/22/770790922.db2.gz ZGJHDVKTWABMCG-UHFFFAOYSA-N -1 3 288.307 2.697 20 30 CFEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000127942713 770942079 /nfs/dbraw/zinc/94/20/79/770942079.db2.gz DJTKRGRJYHNDPI-LBPRGKRZSA-N -1 3 299.355 2.721 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2cccnc2)[n-]1 ZINC001225467431 775467247 /nfs/dbraw/zinc/46/72/47/775467247.db2.gz QGZTUYURGULBKB-JTQLQIEISA-N -1 3 255.277 2.502 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)COCc2ccccc2)[n-]1 ZINC001225469089 775469079 /nfs/dbraw/zinc/46/90/79/775469079.db2.gz GRGISYBBUBNOTC-ZDUSSCGKSA-N -1 3 298.342 2.951 20 30 CFEDHM C#C[C@@H](CCCC)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225577547 775509499 /nfs/dbraw/zinc/50/94/99/775509499.db2.gz XTQJEVWRVGHDBY-QMMMGPOBSA-N -1 3 274.242 2.772 20 30 CFEDHM C[C@H](Nc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001167710982 775627457 /nfs/dbraw/zinc/62/74/57/775627457.db2.gz UUUSLEMQIGMYCM-NSHDSACASA-N -1 3 290.330 2.911 20 30 CFEDHM C[C@H](Nc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001167710982 775627459 /nfs/dbraw/zinc/62/74/59/775627459.db2.gz UUUSLEMQIGMYCM-NSHDSACASA-N -1 3 290.330 2.911 20 30 CFEDHM C=C[C@]1(C)CC[C@@H](Oc2nc[n-]c(=O)c2C)C(C)(C)O1 ZINC001226077236 775690745 /nfs/dbraw/zinc/69/07/45/775690745.db2.gz PKTITVBHIYTDQN-IAQYHMDHSA-N -1 3 278.352 2.772 20 30 CFEDHM C=C[C@@]1(C)CC[C@@H](Oc2nc[n-]c(=O)c2C)C(C)(C)O1 ZINC001226077233 775690763 /nfs/dbraw/zinc/69/07/63/775690763.db2.gz PKTITVBHIYTDQN-ABAIWWIYSA-N -1 3 278.352 2.772 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119294 775707388 /nfs/dbraw/zinc/70/73/88/775707388.db2.gz MURAGBKSGGQFJP-JOYOIKCWSA-N -1 3 260.362 2.823 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253314 775756257 /nfs/dbraw/zinc/75/62/57/775756257.db2.gz GQRQEONCDFAERF-ONOOYWQNSA-N -1 3 273.336 2.965 20 30 CFEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253313 775756574 /nfs/dbraw/zinc/75/65/74/775756574.db2.gz GQRQEONCDFAERF-DCCLBIMISA-N -1 3 273.336 2.965 20 30 CFEDHM C#C[C@@H](CCC)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226260891 775759530 /nfs/dbraw/zinc/75/95/30/775759530.db2.gz HHLXCVNZEDHCIR-NSHDSACASA-N -1 3 272.304 2.530 20 30 CFEDHM C#C[C@H](CCC)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226260890 775759621 /nfs/dbraw/zinc/75/96/21/775759621.db2.gz HHLXCVNZEDHCIR-LLVKDONJSA-N -1 3 272.304 2.530 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533007 775864224 /nfs/dbraw/zinc/86/42/24/775864224.db2.gz XPRHFLWEICWVPD-BXUZGUMPSA-N -1 3 284.311 2.988 20 30 CFEDHM C=CC[C@@H](CCCC)Oc1[n-]c(=O)ncc1OC ZINC001226827332 775981356 /nfs/dbraw/zinc/98/13/56/775981356.db2.gz CLIQXQCZRQYZMT-JTQLQIEISA-N -1 3 252.314 2.705 20 30 CFEDHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc(C#N)ccc1[O-] ZINC001227351139 776182814 /nfs/dbraw/zinc/18/28/14/776182814.db2.gz SBZCIFZDSJPZIZ-TZMCWYRMSA-N -1 3 289.331 2.765 20 30 CFEDHM COc1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])cn1 ZINC001227351247 776183095 /nfs/dbraw/zinc/18/30/95/776183095.db2.gz TWIPCCQXCCKFNI-SNVBAGLBSA-N -1 3 270.288 2.807 20 30 CFEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccncc1F ZINC001227350846 776183155 /nfs/dbraw/zinc/18/31/55/776183155.db2.gz PYAQWHZWXXPQTJ-VIFPVBQESA-N -1 3 258.252 2.938 20 30 CFEDHM CC/C=C\CCOC(=O)[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351323 776183212 /nfs/dbraw/zinc/18/32/12/776183212.db2.gz UTFFSMARWQOHRQ-QMAVJUDZSA-N -1 3 289.331 2.931 20 30 CFEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccncc1F ZINC001227350844 776183308 /nfs/dbraw/zinc/18/33/08/776183308.db2.gz PYAQWHZWXXPQTJ-SECBINFHSA-N -1 3 258.252 2.938 20 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LIMHFXISTXBHBB-CQSZACIVSA-N -1 3 286.331 2.776 20 30 CFEDHM C=Cc1c[n-]c(=O)nc1O[C@@H](C)CC(C)(C)S ZINC001227716744 776269874 /nfs/dbraw/zinc/26/98/74/776269874.db2.gz AMNNKOFTGGKXII-QMMMGPOBSA-N -1 3 254.355 2.691 20 30 CFEDHM N#C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1F ZINC001228005455 776358916 /nfs/dbraw/zinc/35/89/16/776358916.db2.gz RSNVWIMIZYWALP-GFCCVEGCSA-N -1 3 296.261 2.513 20 30 CFEDHM C#C[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)C(C)C ZINC001228079126 776387393 /nfs/dbraw/zinc/38/73/93/776387393.db2.gz NOKOCTBITBCVJW-LLVKDONJSA-N -1 3 290.315 2.714 20 30 CFEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)CS ZINC001228621511 776542618 /nfs/dbraw/zinc/54/26/18/776542618.db2.gz BHKAQPRIEGKXFZ-QMMMGPOBSA-N -1 3 266.318 2.504 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621857 776544411 /nfs/dbraw/zinc/54/44/11/776544411.db2.gz DBFKBNVDWILVAR-RISCZKNCSA-N -1 3 284.311 2.988 20 30 CFEDHM CC#C[C@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622775 776544833 /nfs/dbraw/zinc/54/48/33/776544833.db2.gz KVZIPONWTFCPQI-NSHDSACASA-N -1 3 272.300 2.988 20 30 CFEDHM C#CC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675761 776564180 /nfs/dbraw/zinc/56/41/80/776564180.db2.gz SWCUWVPUCYCZCY-VIFPVBQESA-N -1 3 259.265 2.570 20 30 CFEDHM C=C[C@H](Oc1cc([O-])c(C(C)C)cc1C(C)=O)C(=O)OC ZINC001228959007 776669007 /nfs/dbraw/zinc/66/90/07/776669007.db2.gz QHWOIHOMIZJEMU-AWEZNQCLSA-N -1 3 292.331 2.825 20 30 CFEDHM C#C[C@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229352166 776788316 /nfs/dbraw/zinc/78/83/16/776788316.db2.gz GUDRGIBITRRSMB-ZETCQYMHSA-N -1 3 250.348 2.689 20 30 CFEDHM [O-]c1ccccc1/N=C/c1ccccc1OC1COC1 ZINC001229932266 776920132 /nfs/dbraw/zinc/92/01/32/776920132.db2.gz BJHCULDHZVHAGG-RQZCQDPDSA-N -1 3 269.300 2.920 20 30 CFEDHM C[C@@H](CON)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934468 776920591 /nfs/dbraw/zinc/92/05/91/776920591.db2.gz AJGZWMPLMCQHKL-NNLQFVHNSA-N -1 3 286.331 2.800 20 30 CFEDHM C=CC[C@@H](CCC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230791556 777065357 /nfs/dbraw/zinc/06/53/57/777065357.db2.gz DAXREFDEWXSOHQ-VIFPVBQESA-N -1 3 266.366 2.954 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792847 777065480 /nfs/dbraw/zinc/06/54/80/777065480.db2.gz UHRZVXLIXNAWKW-ZETCQYMHSA-N -1 3 286.422 2.696 20 30 CFEDHM C[C@@H](CS)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230971306 777105907 /nfs/dbraw/zinc/10/59/07/777105907.db2.gz GBIPNTVNYCIPRE-VIFPVBQESA-N -1 3 262.334 2.546 20 30 CFEDHM C=CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231077348 777133792 /nfs/dbraw/zinc/13/37/92/777133792.db2.gz SMXJRAVHZSJYEN-ZDUSSCGKSA-N -1 3 258.325 2.846 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231119023 777146601 /nfs/dbraw/zinc/14/66/01/777146601.db2.gz YACCUCOGWOBSOO-ZDUSSCGKSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231119023 777146607 /nfs/dbraw/zinc/14/66/07/777146607.db2.gz YACCUCOGWOBSOO-ZDUSSCGKSA-N -1 3 270.336 2.828 20 30 CFEDHM CCC[C@@H](C)[C@@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226254880 777488593 /nfs/dbraw/zinc/48/85/93/777488593.db2.gz DKWIAWLNDGUMEQ-KYMBZKNXSA-N -1 3 251.330 2.878 20 30 CFEDHM CC[C@H](C)CC[C@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226257002 777490263 /nfs/dbraw/zinc/49/02/63/777490263.db2.gz XPYIEGDLSYWHRM-BVLLQVSASA-N -1 3 251.330 2.878 20 30 CFEDHM N#Cc1ccc([O-])c(Nc2c(F)cc(CO)cc2F)c1 ZINC001214096698 777558670 /nfs/dbraw/zinc/55/86/70/777558670.db2.gz GGOMEPIOSUDJGK-UHFFFAOYSA-N -1 3 276.242 2.778 20 30 CFEDHM CCCCCN1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232679427 777640450 /nfs/dbraw/zinc/64/04/50/777640450.db2.gz KHQNTSPRGUPTNC-UHFFFAOYSA-N -1 3 287.407 2.572 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ncc1[O-] ZINC001233036365 777771128 /nfs/dbraw/zinc/77/11/28/777771128.db2.gz PJIXDTXLIPZIIE-UHFFFAOYSA-N -1 3 287.750 2.944 20 30 CFEDHM COc1ccc2c(c1)CCN(Cc1ccc(C#N)cc1[O-])C2 ZINC001233383713 777927230 /nfs/dbraw/zinc/92/72/30/777927230.db2.gz SVAWPNIJLKFINO-UHFFFAOYSA-N -1 3 294.354 2.831 20 30 CFEDHM N#C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233678088 778035523 /nfs/dbraw/zinc/03/55/23/778035523.db2.gz SJNSOXWWJUVKNR-INIZCTEOSA-N -1 3 265.268 2.905 20 30 CFEDHM CCC1=C(Oc2cccc([O-])c2F)C(=O)[C@H](C)O1 ZINC001233871073 778101768 /nfs/dbraw/zinc/10/17/68/778101768.db2.gz LFXVKMNURZCRGQ-ZETCQYMHSA-N -1 3 252.241 2.520 20 30 CFEDHM C[C@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1C#N ZINC001234148736 778176325 /nfs/dbraw/zinc/17/63/25/778176325.db2.gz BNMZJTCETABLKY-JTQLQIEISA-N -1 3 282.299 2.503 20 30 CFEDHM C=C[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234153547 778178236 /nfs/dbraw/zinc/17/82/36/778178236.db2.gz OSYWIPMRALUPGT-CYBMUJFWSA-N -1 3 269.300 2.797 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3C[C@H]4CC[C@@H]3C4)c12 ZINC001234510495 778239435 /nfs/dbraw/zinc/23/94/35/778239435.db2.gz BDXGWGJQQVCUSB-OPQQBVKSSA-N -1 3 281.315 2.774 20 30 CFEDHM C#C[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)C(C)C ZINC001234792589 778299057 /nfs/dbraw/zinc/29/90/57/778299057.db2.gz DPOWFKBYIMRRKS-CYBMUJFWSA-N -1 3 276.332 2.948 20 30 CFEDHM C=C(C)C(=O)OC[C@@H](C)Oc1nc2ccsc2[n-]1 ZINC001234847705 778307613 /nfs/dbraw/zinc/30/76/13/778307613.db2.gz KUIXJEIDKBUUSC-MRVPVSSYSA-N -1 3 266.322 2.511 20 30 CFEDHM C=C(C)C(=O)OC[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234847705 778307618 /nfs/dbraw/zinc/30/76/18/778307618.db2.gz KUIXJEIDKBUUSC-MRVPVSSYSA-N -1 3 266.322 2.511 20 30 CFEDHM N#CC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236691597 778911076 /nfs/dbraw/zinc/91/10/76/778911076.db2.gz IIJVOCIKYWPZAF-UHFFFAOYSA-N -1 3 295.180 2.890 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2sc(=O)[n-]c2Cl)C1 ZINC001237150501 779023904 /nfs/dbraw/zinc/02/39/04/779023904.db2.gz GPFMVVOPDIPRMT-QMMMGPOBSA-N -1 3 271.773 2.628 20 30 CFEDHM C=C1O[C@@H](CC)C(=O)C1Oc1cccc([O-])c1F ZINC001233870507 779097968 /nfs/dbraw/zinc/09/79/68/779097968.db2.gz DSHHLJGMEOBDHU-VIFPVBQESA-N -1 3 252.241 2.520 20 30 CFEDHM Cc1cc(C#N)nc([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168476056 779255594 /nfs/dbraw/zinc/25/55/94/779255594.db2.gz BESGGYSUIIPKLZ-NSHDSACASA-N -1 3 293.252 2.767 20 30 CFEDHM [O-]/N=C/c1ccc(C2=CCC3(CC2)OCCO3)cc1F ZINC001240705730 780376107 /nfs/dbraw/zinc/37/61/07/780376107.db2.gz IISPXMWCNRJJAV-LICLKQGHSA-N -1 3 277.295 2.944 20 30 CFEDHM [O-]/N=C/c1cccc(C2=CCC3(CC2)OCCO3)c1 ZINC001240706078 780377232 /nfs/dbraw/zinc/37/72/32/780377232.db2.gz TWKZLSMEUKTGJW-LFIBNONCSA-N -1 3 259.305 2.805 20 30 CFEDHM [O-]N=Cc1ccccc1C1=CCC2(CC1)OCCO2 ZINC001240708348 780379617 /nfs/dbraw/zinc/37/96/17/780379617.db2.gz JRZIEADPILJMCX-UHFFFAOYSA-N -1 3 259.305 2.805 20 30 CFEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(O)c1 ZINC001212489646 780409753 /nfs/dbraw/zinc/40/97/53/780409753.db2.gz WRRRXXPYQQAHLV-UHFFFAOYSA-N -1 3 262.215 2.991 20 30 CFEDHM C=CCn1ccc2c1ncnc2-c1ccccc1[O-] ZINC001241003188 780586508 /nfs/dbraw/zinc/58/65/08/780586508.db2.gz KKZPSUYPNGPHNJ-UHFFFAOYSA-N -1 3 251.289 2.990 20 30 CFEDHM Cc1ccc(-c2cc3nc[nH]c3c(C#N)n2)c([O-])c1 ZINC001241031100 780604309 /nfs/dbraw/zinc/60/43/09/780604309.db2.gz YGDYPJSUNOTMKF-UHFFFAOYSA-N -1 3 250.261 2.511 20 30 CFEDHM CCc1nnc(-c2ccc([O-])cc2)c(C#N)c1CC ZINC001241062162 780619503 /nfs/dbraw/zinc/61/95/03/780619503.db2.gz SHDPQAYDIBZELK-UHFFFAOYSA-N -1 3 253.305 2.846 20 30 CFEDHM C#CCO[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000700597000 780705299 /nfs/dbraw/zinc/70/52/99/780705299.db2.gz PSXKCMZTISNJQY-UHFFFAOYSA-N -1 3 283.780 2.893 20 30 CFEDHM C#CCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000700686046 780710816 /nfs/dbraw/zinc/71/08/16/780710816.db2.gz UKUTVNPHFGPSQP-UHFFFAOYSA-N -1 3 296.164 2.688 20 30 CFEDHM N#CCCc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241443633 780892440 /nfs/dbraw/zinc/89/24/40/780892440.db2.gz IQUZZLKOWDQOKK-UHFFFAOYSA-N -1 3 275.315 2.990 20 30 CFEDHM N#CCCc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241443633 780892447 /nfs/dbraw/zinc/89/24/47/780892447.db2.gz IQUZZLKOWDQOKK-UHFFFAOYSA-N -1 3 275.315 2.990 20 30 CFEDHM N#Cc1cc2c(cccc2-c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC001241443641 780892787 /nfs/dbraw/zinc/89/27/87/780892787.db2.gz JHNXKAFZKBBQCZ-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#Cc1cc2c(cccc2-c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001241443641 780892794 /nfs/dbraw/zinc/89/27/94/780892794.db2.gz JHNXKAFZKBBQCZ-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#CCOc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444031 780894100 /nfs/dbraw/zinc/89/41/00/780894100.db2.gz NNJHLTGAFMZOQH-UHFFFAOYSA-N -1 3 295.277 2.575 20 30 CFEDHM N#CCOc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444031 780894108 /nfs/dbraw/zinc/89/41/08/780894108.db2.gz NNJHLTGAFMZOQH-UHFFFAOYSA-N -1 3 295.277 2.575 20 30 CFEDHM N#CCc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445378 780897698 /nfs/dbraw/zinc/89/76/98/780897698.db2.gz OVMIKTOFZODVLV-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445378 780897708 /nfs/dbraw/zinc/89/77/08/780897708.db2.gz OVMIKTOFZODVLV-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc([O-])c1F ZINC001212552148 781049587 /nfs/dbraw/zinc/04/95/87/781049587.db2.gz CKJJELBCDXUFRP-UHFFFAOYSA-N -1 3 299.305 2.815 20 30 CFEDHM C#Cc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001242296351 781377281 /nfs/dbraw/zinc/37/72/81/781377281.db2.gz DZNKWZOZHCQQND-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM C#Cc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001242296351 781377286 /nfs/dbraw/zinc/37/72/86/781377286.db2.gz DZNKWZOZHCQQND-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM CN1CCOc2cc(-c3ccc([O-])c(C#N)c3)ccc21 ZINC001242564629 781603885 /nfs/dbraw/zinc/60/38/85/781603885.db2.gz KATUZCBPALHCLD-UHFFFAOYSA-N -1 3 266.300 2.759 20 30 CFEDHM N#Cc1cc(F)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242584409 781617964 /nfs/dbraw/zinc/61/79/64/781617964.db2.gz MALVJLTXFBVMNU-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cc(F)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242584409 781617969 /nfs/dbraw/zinc/61/79/69/781617969.db2.gz MALVJLTXFBVMNU-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM COC(=O)c1nc2nc(-c3ccc(C#N)c(C)c3)ccc2[n-]1 ZINC001242768353 781752257 /nfs/dbraw/zinc/75/22/57/781752257.db2.gz UZWRCCPLXQFTGS-UHFFFAOYSA-N -1 3 292.298 2.543 20 30 CFEDHM COC(=O)c1nc2ccc(-c3ccc(C#N)c(C)c3)nc2[n-]1 ZINC001242768353 781752258 /nfs/dbraw/zinc/75/22/58/781752258.db2.gz UZWRCCPLXQFTGS-UHFFFAOYSA-N -1 3 292.298 2.543 20 30 CFEDHM COC(=O)c1nc2ccc(-c3ccc(C#N)c(C)c3)[n-]c-2n1 ZINC001242768353 781752262 /nfs/dbraw/zinc/75/22/62/781752262.db2.gz UZWRCCPLXQFTGS-UHFFFAOYSA-N -1 3 292.298 2.543 20 30 CFEDHM N#Cc1cncnc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242780097 781757591 /nfs/dbraw/zinc/75/75/91/781757591.db2.gz GWDSJFXSYRHWSO-UHFFFAOYSA-N -1 3 265.194 2.740 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001119616036 781839652 /nfs/dbraw/zinc/83/96/52/781839652.db2.gz ATYNRYZOXXAKIB-LBPRGKRZSA-N -1 3 279.384 2.638 20 30 CFEDHM Cc1cnc(C#N)c(-c2cc([O-])cc(OC(F)(F)F)c2)n1 ZINC001242986907 781901629 /nfs/dbraw/zinc/90/16/29/781901629.db2.gz GDJHJGMNJQYEAV-UHFFFAOYSA-N -1 3 295.220 2.928 20 30 CFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CC1 ZINC000594862667 349490663 /nfs/dbraw/zinc/49/06/63/349490663.db2.gz ORESOIZJERKQCT-CQSZACIVSA-N -1 3 296.367 2.554 20 30 CFEDHM COCc1nc(S[C@H](C#N)c2ccc(Cl)cc2)n[n-]1 ZINC000594892236 349496276 /nfs/dbraw/zinc/49/62/76/349496276.db2.gz RMCZISHDKCWXDI-SNVBAGLBSA-N -1 3 294.767 2.961 20 30 CFEDHM C[C@H](C#N)N(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC000595709857 349712981 /nfs/dbraw/zinc/71/29/81/349712981.db2.gz KKFNXCGDDCWLQW-GFCCVEGCSA-N -1 3 294.358 2.726 20 30 CFEDHM N#Cc1[n-]c(=NCCCC2CCOCC2)sc1Cl ZINC000596254743 349841809 /nfs/dbraw/zinc/84/18/09/349841809.db2.gz FIOKYJUUKJAFHF-UHFFFAOYSA-N -1 3 285.800 2.709 20 30 CFEDHM CCc1cc(=O)[n-]c(CSCC2(CC#N)CC2)n1 ZINC000596344137 349870981 /nfs/dbraw/zinc/87/09/81/349870981.db2.gz DFVSHTKOULKEMM-UHFFFAOYSA-N -1 3 263.366 2.672 20 30 CFEDHM Cc1ccccc1CC/N=C/c1c([O-])c(C)ncc1CO ZINC000005110940 346210816 /nfs/dbraw/zinc/21/08/16/346210816.db2.gz BBCMUQSLJFWYHM-VCHYOVAHSA-N -1 3 284.359 2.558 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)cc(F)c2)nc(C)n1 ZINC000041574787 346353212 /nfs/dbraw/zinc/35/32/12/346353212.db2.gz JVTOGYVTQCZXBX-CYBMUJFWSA-N -1 3 287.269 2.862 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(CC#N)c2)nc(C)n1 ZINC000049407994 346483262 /nfs/dbraw/zinc/48/32/62/346483262.db2.gz UKUHWSLKOBVZJI-HNNXBMFYSA-N -1 3 290.326 2.650 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)COC3)nc(C)n1 ZINC000050205681 346491011 /nfs/dbraw/zinc/49/10/11/346491011.db2.gz QQNJAJVEYWLQQN-OAHLLOKOSA-N -1 3 293.326 2.614 20 30 CFEDHM CC(C)(C)c1cc(C([O-])=C(C#N)c2ccccn2)n[nH]1 ZINC000076321536 347134066 /nfs/dbraw/zinc/13/40/66/347134066.db2.gz MILUIPTZJGPBQW-JTQLQIEISA-N -1 3 268.320 2.592 20 30 CFEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1ccccn1 ZINC000078732716 347272559 /nfs/dbraw/zinc/27/25/59/347272559.db2.gz IDCOSMIQSBDZSU-LBPRGKRZSA-N -1 3 270.263 2.719 20 30 CFEDHM O=C(N[O-])c1csc(-c2cc3ccccc3o2)n1 ZINC000671995031 539570044 /nfs/dbraw/zinc/57/00/44/539570044.db2.gz GWNWBGWRMDHADX-UHFFFAOYSA-N -1 3 260.274 2.675 20 30 CFEDHM COc1ccc(NC(=O)c2cccc(C#N)c2)c([O-])c1 ZINC000135405856 347906580 /nfs/dbraw/zinc/90/65/80/347906580.db2.gz BBIBARJIQMDBGC-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCC1 ZINC000137811813 347913995 /nfs/dbraw/zinc/91/39/95/347913995.db2.gz UZZXDCZEBQLDFP-SECBINFHSA-N -1 3 298.795 2.679 20 30 CFEDHM C[C@H]1CCN(C(=O)c2cccc(C#N)n2)c2c([O-])cccc21 ZINC000589847797 348861184 /nfs/dbraw/zinc/86/11/84/348861184.db2.gz BFHHRRQLSBHYLI-NSHDSACASA-N -1 3 293.326 2.813 20 30 CFEDHM CC(C)COCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000590573392 348910527 /nfs/dbraw/zinc/91/05/27/348910527.db2.gz XJBMKIQUDRNSSX-UHFFFAOYSA-N -1 3 273.789 2.565 20 30 CFEDHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000590956237 348971829 /nfs/dbraw/zinc/97/18/29/348971829.db2.gz YURXJBFOVQSBSX-NSHDSACASA-N -1 3 294.358 2.782 20 30 CFEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000593550451 349292011 /nfs/dbraw/zinc/29/20/11/349292011.db2.gz CAAYKCVZOBEIQM-SNVBAGLBSA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCC1 ZINC000593603835 349297589 /nfs/dbraw/zinc/29/75/89/349297589.db2.gz DEGNDALYQPGIEU-LLVKDONJSA-N -1 3 298.433 2.867 20 30 CFEDHM CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593601645 349297643 /nfs/dbraw/zinc/29/76/43/349297643.db2.gz IWTJCYYXPMCTRK-JTQLQIEISA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1cccc(C(=O)NCC2(C#N)CCCC2)c1[O-] ZINC000593779767 349324985 /nfs/dbraw/zinc/32/49/85/349324985.db2.gz NMMYLUXIELTOGP-UHFFFAOYSA-N -1 3 258.321 2.514 20 30 CFEDHM CC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC=CC1 ZINC000594475860 349427513 /nfs/dbraw/zinc/42/75/13/349427513.db2.gz YDUJTCGHWNCFSL-UHFFFAOYSA-N -1 3 296.779 2.599 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N(C)C2(C#N)CCC2)c1 ZINC000596911791 350004810 /nfs/dbraw/zinc/00/48/10/350004810.db2.gz ZAMHEVIWLOSUPZ-UHFFFAOYSA-N -1 3 276.361 2.632 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1cc(SC)ccc1[O-] ZINC000597039552 350019849 /nfs/dbraw/zinc/01/98/49/350019849.db2.gz MHDFIZSSLBQANE-VIFPVBQESA-N -1 3 264.350 2.536 20 30 CFEDHM N#CC1(CC(=O)Nc2nnc(-c3ccco3)[n-]2)CCCCC1 ZINC000597130916 350035237 /nfs/dbraw/zinc/03/52/37/350035237.db2.gz JLLPXEFNZWCWLA-UHFFFAOYSA-N -1 3 299.334 2.867 20 30 CFEDHM N#CC1(CC(=O)Nc2nc(-c3ccco3)n[n-]2)CCCCC1 ZINC000597130916 350035240 /nfs/dbraw/zinc/03/52/40/350035240.db2.gz JLLPXEFNZWCWLA-UHFFFAOYSA-N -1 3 299.334 2.867 20 30 CFEDHM N#CC1(CC(=O)Nc2n[n-]c(-c3ccco3)n2)CCCCC1 ZINC000597130916 350035242 /nfs/dbraw/zinc/03/52/42/350035242.db2.gz JLLPXEFNZWCWLA-UHFFFAOYSA-N -1 3 299.334 2.867 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597899515 350151057 /nfs/dbraw/zinc/15/10/57/350151057.db2.gz AXJMVDSZRYKXQM-NSHDSACASA-N -1 3 290.388 2.880 20 30 CFEDHM COc1cccc(C(=O)NCC2(C#N)CCCCC2)c1[O-] ZINC000598302724 350229991 /nfs/dbraw/zinc/22/99/91/350229991.db2.gz MQGFTSDXNZQTQM-UHFFFAOYSA-N -1 3 288.347 2.605 20 30 CFEDHM N#CC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000598316048 350233299 /nfs/dbraw/zinc/23/32/99/350233299.db2.gz GXMQVJOJWABIFB-UHFFFAOYSA-N -1 3 290.338 2.664 20 30 CFEDHM CC(C)[C@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598896158 350345715 /nfs/dbraw/zinc/34/57/15/350345715.db2.gz FBKWGTBOUMLEJY-NSHDSACASA-N -1 3 286.253 2.689 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000599527226 350450695 /nfs/dbraw/zinc/45/06/95/350450695.db2.gz IEPAJDFHXZZDRS-MEDUHNTESA-N -1 3 272.348 2.903 20 30 CFEDHM CCn1c(S[C@H](C#N)CCc2ccccc2)n[n-]c1=O ZINC000601072871 350658854 /nfs/dbraw/zinc/65/88/54/350658854.db2.gz WDBYHHHMJAWCSN-LBPRGKRZSA-N -1 3 288.376 2.621 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000601821865 350786529 /nfs/dbraw/zinc/78/65/29/350786529.db2.gz SZYSKQNDQZNSBZ-OCCSQVGLSA-N -1 3 272.348 2.719 20 30 CFEDHM CC(C)c1c(-c2ccccc2)[n-]n([C@H](C)CC#N)c1=O ZINC000601935648 350807960 /nfs/dbraw/zinc/80/79/60/350807960.db2.gz LHCJTIYMVNRWEM-OCCSQVGLSA-N -1 3 269.348 2.807 20 30 CFEDHM CCc1[n-]n(Cc2cccc(C#N)c2)c(=O)c1C(C)C ZINC000601946002 350813368 /nfs/dbraw/zinc/81/33/68/350813368.db2.gz XNSYQPGCUBLTIJ-OAHLLOKOSA-N -1 3 269.348 2.939 20 30 CFEDHM C#CCO[N-]C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000291243508 197966453 /nfs/dbraw/zinc/96/64/53/197966453.db2.gz LJGFZBBXQNXLLM-UWVGGRQHSA-N -1 3 284.142 2.778 20 30 CFEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000610085771 351533806 /nfs/dbraw/zinc/53/38/06/351533806.db2.gz NNAIGLBAMFLEGH-UMSPYCQHSA-N -1 3 296.367 2.554 20 30 CFEDHM Cc1[n-][nH]c(=NC(=O)[C@H](C)C#N)c1-c1cccc(Cl)c1 ZINC000610354578 351558881 /nfs/dbraw/zinc/55/88/81/351558881.db2.gz NBTRQQBNFRRAFD-MRVPVSSYSA-N -1 3 288.738 2.559 20 30 CFEDHM COCCN(CCC#N)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000611280323 351663503 /nfs/dbraw/zinc/66/35/03/351663503.db2.gz MWHTXYRIQJVIHW-UHFFFAOYSA-N -1 3 290.363 2.518 20 30 CFEDHM CCc1cccc(C(=O)N[C@@H](C#N)CC(C)C)c1[O-] ZINC000611279970 351663621 /nfs/dbraw/zinc/66/36/21/351663621.db2.gz NFAHYAPLXCWJDA-GFCCVEGCSA-N -1 3 260.337 2.623 20 30 CFEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000612535399 351833006 /nfs/dbraw/zinc/83/30/06/351833006.db2.gz ZSVFBYMKNGUPKE-CYBMUJFWSA-N -1 3 286.375 2.939 20 30 CFEDHM CCc1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1[O-] ZINC000612367530 351808957 /nfs/dbraw/zinc/80/89/57/351808957.db2.gz PXBVSZNQOPAZPY-MRXNPFEDSA-N -1 3 272.348 2.720 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000124144622 187123720 /nfs/dbraw/zinc/12/37/20/187123720.db2.gz OOYCAKQTKVZJBL-IRVPXEHOSA-N -1 3 257.333 2.769 20 30 CFEDHM COc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)ccc1[O-] ZINC000615430318 352192200 /nfs/dbraw/zinc/19/22/00/352192200.db2.gz NYRPWODMXVBJHE-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000617041755 352477312 /nfs/dbraw/zinc/47/73/12/352477312.db2.gz IMSOKWPAHFFFJV-NXEZZACHSA-N -1 3 266.366 2.713 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000617781423 352644049 /nfs/dbraw/zinc/64/40/49/352644049.db2.gz MHUSHHUCXQOSPS-LLVKDONJSA-N -1 3 261.321 2.526 20 30 CFEDHM C=CCCOCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000620207249 353133566 /nfs/dbraw/zinc/13/35/66/353133566.db2.gz OOQVSMMCQPGKET-UHFFFAOYSA-N -1 3 255.701 2.577 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000620303035 353148527 /nfs/dbraw/zinc/14/85/27/353148527.db2.gz GMOUCKQWJBMLOH-TXEJJXNPSA-N -1 3 283.331 2.592 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)c(OC)c1 ZINC000630460052 355088371 /nfs/dbraw/zinc/08/83/71/355088371.db2.gz YJCCPPZMIRTCBN-LLVKDONJSA-N -1 3 283.755 2.858 20 30 CFEDHM C#CCCCCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000180491173 189258344 /nfs/dbraw/zinc/25/83/44/189258344.db2.gz PDAGBMKEXXYTBP-UHFFFAOYSA-N -1 3 289.331 2.701 20 30 CFEDHM C=C[C@@](C)(CCOC)c1nc(-c2ccc([O-])cc2)no1 ZINC000275777303 193126722 /nfs/dbraw/zinc/12/67/22/193126722.db2.gz ZLHCBAGONHLYMP-HNNXBMFYSA-N -1 3 274.320 2.922 20 30 CFEDHM Cc1sc([N-]C(=O)c2cn(C(C)C)nn2)c(C#N)c1C ZINC000459847633 245341271 /nfs/dbraw/zinc/34/12/71/245341271.db2.gz UXWIVUNNTFQWJV-UHFFFAOYSA-N -1 3 289.364 2.661 20 30 CFEDHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000045217940 373017062 /nfs/dbraw/zinc/01/70/62/373017062.db2.gz JJAMECBUOJMODX-LLVKDONJSA-N -1 3 266.300 2.755 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)ccc1[N+](=O)[O-] ZINC000046439799 373054782 /nfs/dbraw/zinc/05/47/82/373054782.db2.gz UEYWWYIDOHHDCN-GFCCVEGCSA-N -1 3 281.271 2.788 20 30 CFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1nc(C)ccc1[O-] ZINC000103501639 375753298 /nfs/dbraw/zinc/75/32/98/375753298.db2.gz DKWASKMIWOCPDE-MRXNPFEDSA-N -1 3 295.342 2.848 20 30 CFEDHM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC000108251711 375816178 /nfs/dbraw/zinc/81/61/78/375816178.db2.gz HHTPOGFSGDTLLC-JTQLQIEISA-N -1 3 296.417 2.842 20 30 CFEDHM CC(C)N1CC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1=O ZINC000114630855 376076846 /nfs/dbraw/zinc/07/68/46/376076846.db2.gz URWILSPDRYRUBS-YDDPGSGASA-N -1 3 296.370 2.974 20 30 CFEDHM COc1cccc(C(=O)N(CCC#N)CC(C)(C)C)c1[O-] ZINC000118227261 376279232 /nfs/dbraw/zinc/27/92/32/376279232.db2.gz OXPYMKQDWUJTDJ-UHFFFAOYSA-N -1 3 290.363 2.803 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000529510410 383714297 /nfs/dbraw/zinc/71/42/97/383714297.db2.gz BGJBTAYULQKTJO-IACUBPJLSA-N -1 3 277.751 2.850 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCSC2)n1 ZINC000329581767 378465163 /nfs/dbraw/zinc/46/51/63/378465163.db2.gz QDMOWVPEXZRJLE-VIFPVBQESA-N -1 3 252.339 2.827 20 30 CFEDHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@]12CCOC2 ZINC000329739602 378489895 /nfs/dbraw/zinc/48/98/95/378489895.db2.gz NMVVRGYDYMLESS-NOZJJQNGSA-N -1 3 251.257 2.546 20 30 CFEDHM COc1ccc([O-])c(C(=O)NC2CCC(C(N)=O)CC2)c1 ZINC000330609928 378590440 /nfs/dbraw/zinc/59/04/40/378590440.db2.gz SURXTICYTLKUSX-UHFFFAOYSA-N -1 3 292.335 2.799 20 30 CFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000331304086 378667267 /nfs/dbraw/zinc/66/72/67/378667267.db2.gz XXWIQGSIKDWPPF-JTQLQIEISA-N -1 3 296.779 2.599 20 30 CFEDHM Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1[O-] ZINC000161423408 378845956 /nfs/dbraw/zinc/84/59/56/378845956.db2.gz YYCMKCDYMMZBPH-AWEZNQCLSA-N -1 3 284.290 2.834 20 30 CFEDHM CCN(CCC#N)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000164553118 379018524 /nfs/dbraw/zinc/01/85/24/379018524.db2.gz NOJTXEPASNOORI-UHFFFAOYSA-N -1 3 283.331 2.625 20 30 CFEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000335152502 379984236 /nfs/dbraw/zinc/98/42/36/379984236.db2.gz XQEDXMWESQDATJ-JMCQJSRRSA-N -1 3 295.136 2.643 20 30 CFEDHM N#Cc1cccc(C2(NC(=O)c3cccc([O-])c3)CC2)c1 ZINC000335946184 380142366 /nfs/dbraw/zinc/14/23/66/380142366.db2.gz QIQCNXQYQJPKKV-UHFFFAOYSA-N -1 3 278.311 2.683 20 30 CFEDHM CC(=O)c1cc(F)cc(CN(CCC#N)CC2CC2)c1[O-] ZINC000175708493 380117393 /nfs/dbraw/zinc/11/73/93/380117393.db2.gz GTYBXHHNIJYIKP-UHFFFAOYSA-N -1 3 290.338 2.860 20 30 CFEDHM N#CCCN(Cc1cccnc1)Cc1cc(F)ccc1[O-] ZINC000179874166 380590393 /nfs/dbraw/zinc/59/03/93/380590393.db2.gz LVNMXNDVLSGGON-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM COc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1[O-] ZINC000408417369 380924068 /nfs/dbraw/zinc/92/40/68/380924068.db2.gz YFXYGVORPQBYCH-ZDUSSCGKSA-N -1 3 288.347 2.555 20 30 CFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc([O-])c2)C1 ZINC000182460904 381091384 /nfs/dbraw/zinc/09/13/84/381091384.db2.gz RFGJIUNGODKZAK-XHDPSFHLSA-N -1 3 258.321 2.594 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2c[nH]c(C#N)c2)c1[O-] ZINC000182765755 381152009 /nfs/dbraw/zinc/15/20/09/381152009.db2.gz KVWQROCBIVTMHM-UHFFFAOYSA-N -1 3 275.695 2.806 20 30 CFEDHM [O-]c1ccccc1/C=N/C[C@H]1COC2(CCCCC2)O1 ZINC000183383693 381265139 /nfs/dbraw/zinc/26/51/39/381265139.db2.gz GZMMNYQZWXTCKB-FBJMNJBLSA-N -1 3 275.348 2.887 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)cc(C)c1F ZINC000354400917 381245025 /nfs/dbraw/zinc/24/50/25/381245025.db2.gz GEHNBJJRSYMZBZ-LBPRGKRZSA-N -1 3 269.279 2.723 20 30 CFEDHM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1ccncn1 ZINC000354460916 381286138 /nfs/dbraw/zinc/28/61/38/381286138.db2.gz GGGOETDXMYTLBO-VIFPVBQESA-N -1 3 275.670 2.759 20 30 CFEDHM N#Cc1ccc(NC([O-])=NOCCC(F)(F)F)cc1F ZINC000290215924 381344810 /nfs/dbraw/zinc/34/48/10/381344810.db2.gz QIUUXNGUOLRFPT-UHFFFAOYSA-N -1 3 291.204 2.703 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1F ZINC000290215924 381344817 /nfs/dbraw/zinc/34/48/17/381344817.db2.gz QIUUXNGUOLRFPT-UHFFFAOYSA-N -1 3 291.204 2.703 20 30 CFEDHM COc1cc(C#N)ccc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412985637 381520658 /nfs/dbraw/zinc/52/06/58/381520658.db2.gz SBWSPENURGVCSJ-UHFFFAOYSA-N -1 3 297.314 2.519 20 30 CFEDHM C#CCO[N-]C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000291069342 381656152 /nfs/dbraw/zinc/65/61/52/381656152.db2.gz LLHQQLRQGVUEEB-NEPJUHHUSA-N -1 3 284.142 2.778 20 30 CFEDHM C#CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000291069345 381656403 /nfs/dbraw/zinc/65/64/03/381656403.db2.gz LLHQQLRQGVUEEB-VXGBXAGGSA-N -1 3 284.142 2.778 20 30 CFEDHM C#CCO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000291326603 381750235 /nfs/dbraw/zinc/75/02/35/381750235.db2.gz UBZPKONVBIPMBC-ZDUSSCGKSA-N -1 3 275.348 2.650 20 30 CFEDHM N#CCCCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000360464446 381781839 /nfs/dbraw/zinc/78/18/39/381781839.db2.gz BRNIPJATNZHGIZ-UHFFFAOYSA-N -1 3 288.225 2.923 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000186161367 381840614 /nfs/dbraw/zinc/84/06/14/381840614.db2.gz VHDJALXKHQAJIA-VIFPVBQESA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000186161367 381840622 /nfs/dbraw/zinc/84/06/22/381840622.db2.gz VHDJALXKHQAJIA-VIFPVBQESA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000186161367 381840629 /nfs/dbraw/zinc/84/06/29/381840629.db2.gz VHDJALXKHQAJIA-VIFPVBQESA-N -1 3 260.297 2.606 20 30 CFEDHM CC#CCCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000186419423 381905806 /nfs/dbraw/zinc/90/58/06/381905806.db2.gz CRPULKXGVUPKDF-UHFFFAOYSA-N -1 3 286.310 2.743 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000186440005 381910989 /nfs/dbraw/zinc/91/09/89/381910989.db2.gz SVUZBNAJOTURMS-VIFPVBQESA-N -1 3 274.324 2.914 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000186440005 381910993 /nfs/dbraw/zinc/91/09/93/381910993.db2.gz SVUZBNAJOTURMS-VIFPVBQESA-N -1 3 274.324 2.914 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000186440005 381910999 /nfs/dbraw/zinc/91/09/99/381910999.db2.gz SVUZBNAJOTURMS-VIFPVBQESA-N -1 3 274.324 2.914 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000416956143 381976331 /nfs/dbraw/zinc/97/63/31/381976331.db2.gz JRYDJAPQBBMXCI-AWEZNQCLSA-N -1 3 278.377 2.998 20 30 CFEDHM N#CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000343992024 382054578 /nfs/dbraw/zinc/05/45/78/382054578.db2.gz QSAKIGDIJDBHLL-UHFFFAOYSA-N -1 3 293.175 2.575 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000300706611 382066897 /nfs/dbraw/zinc/06/68/97/382066897.db2.gz BEKIFFLHPBXHPM-MXWKQRLJSA-N -1 3 298.433 2.723 20 30 CFEDHM CCSc1nccnc1C(=O)[N-]c1sccc1C#N ZINC000362362673 382025134 /nfs/dbraw/zinc/02/51/34/382025134.db2.gz WDVZOTPXTSOTAC-UHFFFAOYSA-N -1 3 290.373 2.774 20 30 CFEDHM C#CCSCCNCc1cccc([O-])c1Cl ZINC000293431592 382119720 /nfs/dbraw/zinc/11/97/20/382119720.db2.gz BECAJLVVSGNOSQ-UHFFFAOYSA-N -1 3 255.770 2.502 20 30 CFEDHM Cc1[nH]nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1C ZINC000345380440 382301607 /nfs/dbraw/zinc/30/16/07/382301607.db2.gz RANNUKUZXZVMKB-LLVKDONJSA-N -1 3 293.330 2.701 20 30 CFEDHM O=C(NC1CCC(F)(F)CC1)c1cc(F)cc2nn[n-]c21 ZINC000328659610 382561660 /nfs/dbraw/zinc/56/16/60/382561660.db2.gz TWDRWCLLLXOVSG-UHFFFAOYSA-N -1 3 298.268 2.980 20 30 CFEDHM O=C(NC1CCC(F)(F)CC1)c1cc(F)cc2[n-]nnc21 ZINC000328659610 382561664 /nfs/dbraw/zinc/56/16/64/382561664.db2.gz TWDRWCLLLXOVSG-UHFFFAOYSA-N -1 3 298.268 2.980 20 30 CFEDHM O=C(NC1CCC(F)(F)CC1)c1cc(F)cc2n[n-]nc21 ZINC000328659610 382561670 /nfs/dbraw/zinc/56/16/70/382561670.db2.gz 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ZINC000543059592 382971247 /nfs/dbraw/zinc/97/12/47/382971247.db2.gz WTIBSVWQFHOGJV-CQSZACIVSA-N -1 3 292.342 2.856 20 30 CFEDHM N#Cc1ccc(C(=O)N=c2cc3ccccn3[n-]2)cc1Cl ZINC000552991229 383095358 /nfs/dbraw/zinc/09/53/58/383095358.db2.gz BAXUIFSCUUJVNH-UHFFFAOYSA-N -1 3 296.717 2.534 20 30 CFEDHM CCc1cc(C(=O)N(CCC#N)C(C)C)ccc1[O-] ZINC000563813120 383167605 /nfs/dbraw/zinc/16/76/05/383167605.db2.gz FBFRMTUHZUEWCC-UHFFFAOYSA-N -1 3 260.337 2.719 20 30 CFEDHM C=CCC1(C(=O)NCc2ccc([O-])c(F)c2)CCOCC1 ZINC000424743574 383247921 /nfs/dbraw/zinc/24/79/21/383247921.db2.gz SZOVNZQZEMIQOJ-UHFFFAOYSA-N -1 3 293.338 2.520 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000472709404 383381355 /nfs/dbraw/zinc/38/13/55/383381355.db2.gz FLBBOZOVXPIVCR-UHFFFAOYSA-N -1 3 289.347 2.908 20 30 CFEDHM C=C(C)CCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000450717158 383483777 /nfs/dbraw/zinc/48/37/77/383483777.db2.gz PDKXYEMFWMRCPD-UHFFFAOYSA-N -1 3 284.363 2.607 20 30 CFEDHM C[C@@H](CC#N)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528419109 383528712 /nfs/dbraw/zinc/52/87/12/383528712.db2.gz VBNYPPQPYDNKED-QMMMGPOBSA-N -1 3 297.152 2.529 20 30 CFEDHM C=CC[C@H]1N(Cc2cc(C(=O)[O-])nn2C)CCCC1(C)C ZINC000635312541 383530669 /nfs/dbraw/zinc/53/06/69/383530669.db2.gz CHFHKUVMBXSIDF-CQSZACIVSA-N -1 3 291.395 2.685 20 30 CFEDHM C=C(C)CCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530171022 383767760 /nfs/dbraw/zinc/76/77/60/383767760.db2.gz VJBSODDCMFUKJN-UHFFFAOYSA-N -1 3 263.312 2.848 20 30 CFEDHM N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2ccccc2[nH]1 ZINC000528911349 383675030 /nfs/dbraw/zinc/67/50/30/383675030.db2.gz XSBARCYNDYPHJI-GFCCVEGCSA-N -1 3 291.314 2.584 20 30 CFEDHM CCCCOc1ccc(C(=O)NCC(C)(C)C#N)c([O-])c1 ZINC000436738314 383885005 /nfs/dbraw/zinc/88/50/05/383885005.db2.gz SRAORMQBPJOFMH-UHFFFAOYSA-N -1 3 290.363 2.851 20 30 CFEDHM C=C(CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436736671 383885066 /nfs/dbraw/zinc/88/50/66/383885066.db2.gz OPAQSUXTUCHJCE-UHFFFAOYSA-N -1 3 253.301 2.835 20 30 CFEDHM CC#CCN(C)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000436780754 383895238 /nfs/dbraw/zinc/89/52/38/383895238.db2.gz GGZNELTVZFRWBK-UHFFFAOYSA-N -1 3 275.348 2.666 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(CC)ccc1[O-] ZINC000437479294 383902766 /nfs/dbraw/zinc/90/27/66/383902766.db2.gz WTSOAVZUVKQPNZ-BBRMVZONSA-N -1 3 289.375 2.666 20 30 CFEDHM N#Cc1cccc(OCCOc2ccc3c([O-])coc3c2)c1 ZINC000642609010 384441116 /nfs/dbraw/zinc/44/11/16/384441116.db2.gz YIHDDMJYYPUUAG-UHFFFAOYSA-N -1 3 295.294 2.591 20 30 CFEDHM Cc1ccc(C(=O)N(CCC#N)CC2CC2)c([O-])c1C ZINC000271320823 385379865 /nfs/dbraw/zinc/37/98/65/385379865.db2.gz UJWMKVCLUBOSLC-UHFFFAOYSA-N -1 3 272.348 2.775 20 30 CFEDHM Cc1ccc(C(=O)N(CC#N)C2CCCC2)c([O-])c1C ZINC000271340161 385379960 /nfs/dbraw/zinc/37/99/60/385379960.db2.gz FYOJFKOTHFLDRB-UHFFFAOYSA-N -1 3 272.348 2.917 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000116905628 260008097 /nfs/dbraw/zinc/00/80/97/260008097.db2.gz KFPPQXMTAMLJMF-MRVPVSSYSA-N -1 3 277.748 2.722 20 30 CFEDHM COc1cccc(NC(=O)c2cccc(F)c2C#N)c1[O-] ZINC000428020048 533614550 /nfs/dbraw/zinc/61/45/50/533614550.db2.gz CMXIZWABNPMWSY-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM O=C(NC1C2CC3CC(C2)CC1C3)c1csc(=O)[n-]1 ZINC000329495971 393538874 /nfs/dbraw/zinc/53/88/74/393538874.db2.gz IWJQAQLXJJNUKM-UHFFFAOYSA-N -1 3 278.377 2.978 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)[C@]2(C#N)C[C@H]2C)c1[O-] ZINC000335158942 393648731 /nfs/dbraw/zinc/64/87/31/393648731.db2.gz YDSNHVNPPYYMCI-OQPBUACISA-N -1 3 264.712 2.842 20 30 CFEDHM Cc1cc([N-]C(=O)COc2ccc(C#N)c(Cl)c2)on1 ZINC000194641906 393710590 /nfs/dbraw/zinc/71/05/90/393710590.db2.gz BRTXYTYNYVLAPI-UHFFFAOYSA-N -1 3 291.694 2.526 20 30 CFEDHM CCn1c(SCCC2(C#N)CCCCC2)n[n-]c1=O ZINC000412981752 393777492 /nfs/dbraw/zinc/77/74/92/393777492.db2.gz GSCKYBWEILMTCG-UHFFFAOYSA-N -1 3 280.397 2.960 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1ccccn1 ZINC000338321354 393781765 /nfs/dbraw/zinc/78/17/65/393781765.db2.gz IYFQYQSGYBACSY-SNVBAGLBSA-N -1 3 291.232 2.985 20 30 CFEDHM COc1cc(C)cc(C(=O)Nc2cccc(C#N)c2)c1[O-] ZINC000106455882 393866455 /nfs/dbraw/zinc/86/64/55/393866455.db2.gz UPMBBDLMQFTJTC-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM C=CCCOCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000342963465 393874806 /nfs/dbraw/zinc/87/48/06/393874806.db2.gz BJTWJKNTDRRDDK-UHFFFAOYSA-N -1 3 295.354 2.911 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000416961347 393946692 /nfs/dbraw/zinc/94/66/92/393946692.db2.gz RUQDHXVOKXVIRV-CYBMUJFWSA-N -1 3 296.392 2.908 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000416943006 393946761 /nfs/dbraw/zinc/94/67/61/393946761.db2.gz BQJBDVDGCYPIFM-CYBMUJFWSA-N -1 3 296.392 2.826 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000416943819 393946798 /nfs/dbraw/zinc/94/67/98/393946798.db2.gz UIIUOWBPBNVWQG-AWEZNQCLSA-N -1 3 296.392 2.655 20 30 CFEDHM C/C=C/c1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000416960813 393947184 /nfs/dbraw/zinc/94/71/84/393947184.db2.gz OODKVHCPQZDQQL-LQPUYASZSA-N -1 3 264.350 2.764 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000417626148 393985765 /nfs/dbraw/zinc/98/57/65/393985765.db2.gz NFGONMOQQSEGFN-NSHDSACASA-N -1 3 271.719 2.988 20 30 CFEDHM COc1ccc(NC(=O)C2(C#N)CCCCC2)c([O-])c1 ZINC000135411908 394219766 /nfs/dbraw/zinc/21/97/66/394219766.db2.gz QTGZYMAGWNOWAE-UHFFFAOYSA-N -1 3 274.320 2.813 20 30 CFEDHM C=C[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000362495121 394186279 /nfs/dbraw/zinc/18/62/79/394186279.db2.gz VLJQXJVDGVGRFS-JTQLQIEISA-N -1 3 298.346 2.854 20 30 CFEDHM C=CC[C@@H](CC)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451416987 394376158 /nfs/dbraw/zinc/37/61/58/394376158.db2.gz HAXZYDCVEMXVMX-LLVKDONJSA-N -1 3 251.301 2.545 20 30 CFEDHM C=CCN(C(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000647741690 395423959 /nfs/dbraw/zinc/42/39/59/395423959.db2.gz CRLBCQATZMEMNW-UHFFFAOYSA-N -1 3 278.315 2.791 20 30 CFEDHM COc1cccc(NC(=O)c2cscc2C#N)c1[O-] ZINC000345839700 154279524 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C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000360260571 526079943 /nfs/dbraw/zinc/07/99/43/526079943.db2.gz HRZUPVWAWNERDD-NSHDSACASA-N -1 3 298.317 2.823 20 30 CFEDHM C=C(C)CN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000336464169 526500480 /nfs/dbraw/zinc/50/04/80/526500480.db2.gz MRBCEAFUQQNUON-UHFFFAOYSA-N -1 3 275.348 2.754 20 30 CFEDHM C=C(C)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000109779843 526509631 /nfs/dbraw/zinc/50/96/31/526509631.db2.gz FNRDJUNZSLUBQX-UHFFFAOYSA-N -1 3 283.755 2.597 20 30 CFEDHM N#Cc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000050920531 526709128 /nfs/dbraw/zinc/70/91/28/526709128.db2.gz JCLSSYSMIOOUHA-UHFFFAOYSA-N -1 3 266.300 2.546 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000353172750 527162969 /nfs/dbraw/zinc/16/29/69/527162969.db2.gz CMHRLJLPQZZPLN-JTQLQIEISA-N -1 3 289.347 2.906 20 30 CFEDHM CC1(C)C(CNC(=O)c2csc(=O)[n-]2)C1(C)C ZINC000330073412 528871833 /nfs/dbraw/zinc/87/18/33/528871833.db2.gz ZWMVWHZIXWCKAN-UHFFFAOYSA-N -1 3 254.355 2.836 20 30 CFEDHM CC(C)[C@H](C#N)[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000334694949 528905964 /nfs/dbraw/zinc/90/59/64/528905964.db2.gz USMBGRXFBGULEQ-QMMMGPOBSA-N -1 3 274.217 2.521 20 30 CFEDHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)c1c(C)nn(C)c1C ZINC000329981363 529266536 /nfs/dbraw/zinc/26/65/36/529266536.db2.gz NCMGKMAOMIVZAL-SECBINFHSA-N -1 3 294.380 2.655 20 30 CFEDHM COc1cc(C=NNC2CCCC2)cc(Cl)c1[O-] ZINC000727652738 574059239 /nfs/dbraw/zinc/05/92/39/574059239.db2.gz XDPVNSFTFYCTHC-UHFFFAOYSA-N -1 3 268.744 2.920 20 30 CFEDHM COc1cccc([O-])c1CN1CCC[C@](C)(C#N)C1 ZINC000753587438 574066741 /nfs/dbraw/zinc/06/67/41/574066741.db2.gz OAKIUCYFVFCMHX-OAHLLOKOSA-N -1 3 260.337 2.526 20 30 CFEDHM COc1cccc([O-])c1/C=N\CCc1c(C)noc1C ZINC000730434943 574081479 /nfs/dbraw/zinc/08/14/79/574081479.db2.gz WYFIUILEXZAPKN-SXGWCWSVSA-N -1 3 274.320 2.667 20 30 CFEDHM C=CCN(Cc1ccccc1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738493194 574095314 /nfs/dbraw/zinc/09/53/14/574095314.db2.gz YOUWJFJSOIVNLB-HNNXBMFYSA-N -1 3 274.364 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2.779 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2C[C@@H](OCC(C)C)C2(C)C)n1 ZINC000737413560 574138916 /nfs/dbraw/zinc/13/89/16/574138916.db2.gz FUJPERCHECAVEK-GFCCVEGCSA-N -1 3 292.383 2.730 20 30 CFEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1nccs1 ZINC000737442351 574141687 /nfs/dbraw/zinc/14/16/87/574141687.db2.gz CJUJIKDZXHSCQC-KOSUEXCASA-N -1 3 291.376 2.615 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737450754 574142034 /nfs/dbraw/zinc/14/20/34/574142034.db2.gz ATMNWLUGEYSEGS-INIZCTEOSA-N -1 3 280.327 2.816 20 30 CFEDHM N#Cc1cc([N-]C(=O)c2ccoc2)c(Cl)c([N+](=O)[O-])c1 ZINC000746486281 574150632 /nfs/dbraw/zinc/15/06/32/574150632.db2.gz WUMUBPILLRPHGL-UHFFFAOYSA-N -1 3 291.650 2.965 20 30 CFEDHM N#Cc1ccc(COC(=O)c2cc([O-])cs2)c(F)c1 ZINC000732353804 574152965 /nfs/dbraw/zinc/15/29/65/574152965.db2.gz WDHGCWLZKAWJNF-UHFFFAOYSA-N -1 3 277.276 2.821 20 30 CFEDHM CCOc1ccc(C=NOCc2cccnc2)c([O-])c1 ZINC000746588046 574156817 /nfs/dbraw/zinc/15/68/17/574156817.db2.gz 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/nfs/dbraw/zinc/16/75/89/574167589.db2.gz IOGIZHHBOFVYNM-UHFFFAOYSA-N -1 3 299.359 2.855 20 30 CFEDHM COc1ccc(COC(=O)c2ccc([O-])cc2)cc1C#N ZINC000746965015 574173611 /nfs/dbraw/zinc/17/36/11/574173611.db2.gz KAYMZHGZMQRKAJ-UHFFFAOYSA-N -1 3 283.283 2.629 20 30 CFEDHM Cn1c2ccccc2nc1NN=Cc1ccc([O-])c(F)c1 ZINC000755648813 574174667 /nfs/dbraw/zinc/17/46/67/574174667.db2.gz QFONUWCQPAXUHH-UHFFFAOYSA-N -1 3 284.294 2.864 20 30 CFEDHM Cc1ccc(N=NCc2c([O-])cccc2Cl)nn1 ZINC000755700934 574179225 /nfs/dbraw/zinc/17/92/25/574179225.db2.gz WUDJPSDKPFLFIS-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM Cc1ccc(NN=Cc2c([O-])cccc2Cl)nn1 ZINC000755700934 574179228 /nfs/dbraw/zinc/17/92/28/574179228.db2.gz WUDJPSDKPFLFIS-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM [O-]c1ccc(C=NNc2cnnc3ccccc32)cc1F ZINC000755734904 574182741 /nfs/dbraw/zinc/18/27/41/574182741.db2.gz WKRFPYNPSWOSJR-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM CC(=O)Nc1ccc([O-])c(C(C)=NO[C@H]2CCCCO2)c1 ZINC000755820655 574190007 /nfs/dbraw/zinc/19/00/07/574190007.db2.gz KKLTXJCOPZVEFZ-HNNXBMFYSA-N -1 3 292.335 2.618 20 30 CFEDHM CC(C)Cc1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000755890722 574194445 /nfs/dbraw/zinc/19/44/45/574194445.db2.gz POZRCIQHUBBRSA-UHFFFAOYSA-N -1 3 294.362 2.997 20 30 CFEDHM N#Cc1ccc([C@H](NCc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739105921 574198880 /nfs/dbraw/zinc/19/88/80/574198880.db2.gz JQDHROAXSRRCFW-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM CN1CCC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1=O ZINC000748286104 574245240 /nfs/dbraw/zinc/24/52/40/574245240.db2.gz PXOPVJYYOPAMDS-LZNAANCOSA-N -1 3 282.343 2.585 20 30 CFEDHM COc1cc(C(=O)/C=C/c2nccs2)ccc1[O-] ZINC000730085299 574251739 /nfs/dbraw/zinc/25/17/39/574251739.db2.gz NPWYUWNAUVPZHN-SNAWJCMRSA-N -1 3 261.302 2.753 20 30 CFEDHM COc1cccc([O-])c1/C=N/CCc1ccc2c(c1)CCO2 ZINC000733903093 574261127 /nfs/dbraw/zinc/26/11/27/574261127.db2.gz HDNNVJUBSIPILO-XDHOZWIPSA-N -1 3 297.354 2.997 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@](C)(O)c1ccsc1 ZINC000740763162 574265827 /nfs/dbraw/zinc/26/58/27/574265827.db2.gz ADWQPZTXXTUNPW-MDNIKOHYSA-N -1 3 291.372 2.789 20 30 CFEDHM CN1Cc2ccccc2[C@@H](/N=C\c2ccccc2[O-])C1 ZINC000756841465 574267401 /nfs/dbraw/zinc/26/74/01/574267401.db2.gz VFNIPXMMBNMZOA-PMFHANACSA-N -1 3 266.344 2.998 20 30 CFEDHM N#CCCCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737687431 574306468 /nfs/dbraw/zinc/30/64/68/574306468.db2.gz IRLUZLQLPSDHIN-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM N#CCCCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737687431 574306469 /nfs/dbraw/zinc/30/64/69/574306469.db2.gz IRLUZLQLPSDHIN-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/CC2Cc3ccccc3C2)c1O ZINC000735228642 574315932 /nfs/dbraw/zinc/31/59/32/574315932.db2.gz DKDJGQBJJVQVKU-VCHYOVAHSA-N -1 3 283.327 2.637 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000735206179 574316501 /nfs/dbraw/zinc/31/65/01/574316501.db2.gz AKJNVPQPZXBQTJ-PRFOUVDFSA-N -1 3 256.305 2.690 20 30 CFEDHM C=CCCCSCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735413458 574322903 /nfs/dbraw/zinc/32/29/03/574322903.db2.gz VLPRHFLKVNPHHX-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=CCCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735413458 574322905 /nfs/dbraw/zinc/32/29/05/574322905.db2.gz VLPRHFLKVNPHHX-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=C(C)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735402413 574323810 /nfs/dbraw/zinc/32/38/10/574323810.db2.gz VEGBDVCHDFNANT-UHFFFAOYSA-N -1 3 283.257 2.874 20 30 CFEDHM C=C(C)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735402413 574323812 /nfs/dbraw/zinc/32/38/12/574323812.db2.gz VEGBDVCHDFNANT-UHFFFAOYSA-N -1 3 283.257 2.874 20 30 CFEDHM C=CCSCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735437194 574324392 /nfs/dbraw/zinc/32/43/92/574324392.db2.gz ZRIPRJNFUWPOBY-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735437194 574324394 /nfs/dbraw/zinc/32/43/94/574324394.db2.gz ZRIPRJNFUWPOBY-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735416043 574324886 /nfs/dbraw/zinc/32/48/86/574324886.db2.gz BYENSFVDYRJPRM-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735416043 574324889 /nfs/dbraw/zinc/32/48/89/574324889.db2.gz BYENSFVDYRJPRM-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM COc1cccc([O-])c1CNCc1cc(C#N)ccc1F ZINC000742381715 574326658 /nfs/dbraw/zinc/32/66/58/574326658.db2.gz FLENTESNEDTCOF-UHFFFAOYSA-N -1 3 286.306 2.701 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000739052668 574329314 /nfs/dbraw/zinc/32/93/14/574329314.db2.gz HTYGZFGWMAAHKI-WFASDCNBSA-N -1 3 287.363 2.693 20 30 CFEDHM CC(Cc1cccs1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736065835 574349942 /nfs/dbraw/zinc/34/99/42/574349942.db2.gz GTSZHDUWCVKXEZ-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM CC(Cc1cccs1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736065835 574349945 /nfs/dbraw/zinc/34/99/45/574349945.db2.gz GTSZHDUWCVKXEZ-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM CC(=O)N1CCc2cc(N=Cc3cccc([O-])c3O)ccc21 ZINC000743329855 574358638 /nfs/dbraw/zinc/35/86/38/574358638.db2.gz LPZUHTHBHGNQSO-UHFFFAOYSA-N -1 3 296.326 2.757 20 30 CFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)(C)C ZINC000751109121 574369420 /nfs/dbraw/zinc/36/94/20/574369420.db2.gz RZQCSKXUMJPDMB-SNVBAGLBSA-N -1 3 298.383 2.658 20 30 CFEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc(C)cc1[O-] ZINC000751531913 574378643 /nfs/dbraw/zinc/37/86/43/574378643.db2.gz QGMMLZFEHBNAOS-SNVBAGLBSA-N -1 3 291.420 2.687 20 30 CFEDHM COC(=O)C1(C/N=C/c2ccccc2[O-])CCCC1 ZINC000751890238 574384371 /nfs/dbraw/zinc/38/43/71/574384371.db2.gz KQHOCSIMIPXLBD-MHWRWJLKSA-N -1 3 261.321 2.545 20 30 CFEDHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000752484853 574391806 /nfs/dbraw/zinc/39/18/06/574391806.db2.gz XZUDXUQXPVRSGL-SECBINFHSA-N -1 3 285.259 2.713 20 30 CFEDHM N#Cc1ccc(C(=O)OCc2ccc(Cl)s2)[n-]1 ZINC000752486690 574391874 /nfs/dbraw/zinc/39/18/74/574391874.db2.gz BMNCSLZQOXBULF-UHFFFAOYSA-N -1 3 266.709 2.958 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nc1 ZINC000753530905 574403936 /nfs/dbraw/zinc/40/39/36/574403936.db2.gz ARKVEBULMOUNBO-CQSZACIVSA-N -1 3 293.326 2.660 20 30 CFEDHM N#Cc1csc(/C=C/C(=O)c2cc([O-])cc(O)c2)c1 ZINC000753717700 574408594 /nfs/dbraw/zinc/40/85/94/574408594.db2.gz PNUGMXGQAIBTQX-OWOJBTEDSA-N -1 3 271.297 2.927 20 30 CFEDHM CCn1nccc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000753718200 574408634 /nfs/dbraw/zinc/40/86/34/574408634.db2.gz TXOJJHVKYKZLFI-FNORWQNLSA-N -1 3 256.305 2.813 20 30 CFEDHM CC1(C)CCC(N=NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820589441 607254395 /nfs/dbraw/zinc/25/43/95/607254395.db2.gz FTCWNVJIBWUPED-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC1(C)CCC(N=NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820589441 607254396 /nfs/dbraw/zinc/25/43/96/607254396.db2.gz FTCWNVJIBWUPED-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822482380 599111306 /nfs/dbraw/zinc/11/13/06/599111306.db2.gz RZEVHVGVGWTQMQ-WAYWQWQTSA-N -1 3 297.343 2.528 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822482380 599111307 /nfs/dbraw/zinc/11/13/07/599111307.db2.gz RZEVHVGVGWTQMQ-WAYWQWQTSA-N -1 3 297.343 2.528 20 30 CFEDHM O=C(c1n[nH]c2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000900095980 620637555 /nfs/dbraw/zinc/63/75/55/620637555.db2.gz MYNBGBANWQUDHB-UHFFFAOYSA-N -1 3 285.278 2.734 20 30 CFEDHM CCOCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096987 620637585 /nfs/dbraw/zinc/63/75/85/620637585.db2.gz XTOMCIBJKAFCDP-UHFFFAOYSA-N -1 3 278.135 2.748 20 30 CFEDHM N#Cc1csc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000819111333 597483857 /nfs/dbraw/zinc/48/38/57/597483857.db2.gz RJKJBIJUMHWVPJ-UHFFFAOYSA-N -1 3 272.329 2.608 20 30 CFEDHM Cc1cccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822327539 607461828 /nfs/dbraw/zinc/46/18/28/607461828.db2.gz HXMRZSQMEMUPKC-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1cccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822327539 607461829 /nfs/dbraw/zinc/46/18/29/607461829.db2.gz HXMRZSQMEMUPKC-UHFFFAOYSA-N -1 3 296.309 2.760 20 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297.362 2.882 20 30 CFEDHM C=CCC(CC=C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819734088 606951433 /nfs/dbraw/zinc/95/14/33/606951433.db2.gz HWCQZKUTUQILPR-UHFFFAOYSA-N -1 3 284.319 2.541 20 30 CFEDHM C=CCC(CC=C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819734088 606951435 /nfs/dbraw/zinc/95/14/35/606951435.db2.gz HWCQZKUTUQILPR-UHFFFAOYSA-N -1 3 284.319 2.541 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819734186 607004325 /nfs/dbraw/zinc/00/43/25/607004325.db2.gz JSUXARXUWFXWGB-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819734186 607004326 /nfs/dbraw/zinc/00/43/26/607004326.db2.gz JSUXARXUWFXWGB-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM Cc1ccc(C#N)cc1OCc1ccccc1-c1nnn[n-]1 ZINC000822225051 607028686 /nfs/dbraw/zinc/02/86/86/607028686.db2.gz MBYIKIRZRXFQPW-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(C#N)cc1OCc1ccccc1-c1nn[n-]n1 ZINC000822225051 607028687 /nfs/dbraw/zinc/02/86/87/607028687.db2.gz MBYIKIRZRXFQPW-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM N#Cc1cccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826387254 607895662 /nfs/dbraw/zinc/89/56/62/607895662.db2.gz MILHWXMGWXRUSI-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1cccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826387254 607895663 /nfs/dbraw/zinc/89/56/63/607895663.db2.gz MILHWXMGWXRUSI-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM C[C@H]1CCC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824925591 608533453 /nfs/dbraw/zinc/53/34/53/608533453.db2.gz FMTPLJOYZXGLLX-JSGCOSHPSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925591 608533454 /nfs/dbraw/zinc/53/34/54/608533454.db2.gz FMTPLJOYZXGLLX-JSGCOSHPSA-N -1 3 298.394 2.768 20 30 CFEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CC1 ZINC000825029348 608540173 /nfs/dbraw/zinc/54/01/73/608540173.db2.gz QIWFCLXFCQCNEZ-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CC1 ZINC000825029348 608540174 /nfs/dbraw/zinc/54/01/74/608540174.db2.gz QIWFCLXFCQCNEZ-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000900683015 620701486 /nfs/dbraw/zinc/70/14/86/620701486.db2.gz SKBRLGPIIRHLBM-OLZOCXBDSA-N -1 3 278.308 2.716 20 30 CFEDHM Cc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826281073 609480141 /nfs/dbraw/zinc/48/01/41/609480141.db2.gz CEJKVTDYGUIZRF-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM Cc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826281073 609480143 /nfs/dbraw/zinc/48/01/43/609480143.db2.gz CEJKVTDYGUIZRF-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM C=CCCCN(CC)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000900863874 620723448 /nfs/dbraw/zinc/72/34/48/620723448.db2.gz YYCLNMYAHFOXTF-UHFFFAOYSA-N -1 3 291.395 2.546 20 30 CFEDHM C=CCCCN(CC)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000890811418 617909630 /nfs/dbraw/zinc/90/96/30/617909630.db2.gz DWQXMOKBFBLDBL-UHFFFAOYSA-N -1 3 293.363 2.838 20 30 CFEDHM N#Cc1cccc(C(=O)Nc2ccc([O-])cc2F)c1 ZINC000085203745 618001386 /nfs/dbraw/zinc/00/13/86/618001386.db2.gz SMOSDOZYDCXHQW-UHFFFAOYSA-N -1 3 256.236 2.655 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000846551354 618114013 /nfs/dbraw/zinc/11/40/13/618114013.db2.gz SAOSHWPBXDIIGX-MNOVXSKESA-N -1 3 251.301 2.942 20 30 CFEDHM COc1ccc(F)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255311246 618190240 /nfs/dbraw/zinc/19/02/40/618190240.db2.gz GZJDJHUGELUXCV-UHFFFAOYSA-N -1 3 277.251 2.702 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cccnc2)c(OC)cc1[O-] ZINC000255727099 618270981 /nfs/dbraw/zinc/27/09/81/618270981.db2.gz UQPUAVNGRROAHW-WAYWQWQTSA-N -1 3 285.299 2.701 20 30 CFEDHM COc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255730648 618272662 /nfs/dbraw/zinc/27/26/62/618272662.db2.gz QBTFRGDYNXDKKU-UHFFFAOYSA-N -1 3 259.261 2.563 20 30 CFEDHM O=C(CC[C@@H]1CCCCO1)N([O-])Cc1ccc(F)cc1 ZINC000901372098 620797199 /nfs/dbraw/zinc/79/71/99/620797199.db2.gz QLFHQFXMUXMEHU-AWEZNQCLSA-N -1 3 281.327 2.893 20 30 CFEDHM O=C(C1CC2(CC2(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000901372454 620797457 /nfs/dbraw/zinc/79/74/57/620797457.db2.gz DASJKICUBCAHPZ-UHFFFAOYSA-N -1 3 285.265 2.979 20 30 CFEDHM O=C(C(C1CC1)C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901373237 620798319 /nfs/dbraw/zinc/79/83/19/620798319.db2.gz UZEHMHVETNQNQL-UHFFFAOYSA-N -1 3 263.312 2.980 20 30 CFEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])[C@H](C)N1CCOCC1 ZINC000105356538 619090393 /nfs/dbraw/zinc/09/03/93/619090393.db2.gz BCFVARSEJWVUCK-OMZBXQEKSA-N -1 3 296.798 2.574 20 30 CFEDHM CC[C@@H](C)CON=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000793162893 619534292 /nfs/dbraw/zinc/53/42/92/619534292.db2.gz CXUVFGOFKGOHKG-SECBINFHSA-N -1 3 282.296 2.706 20 30 CFEDHM C=CC[C@H]1CCN(Cc2ncc(Br)cc2[O-])C1 ZINC000895560872 619555625 /nfs/dbraw/zinc/55/56/25/619555625.db2.gz UMMJDELCOVEVFD-JTQLQIEISA-N -1 3 297.196 2.948 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCCC2(F)F)c1[O-] ZINC000840707403 619865998 /nfs/dbraw/zinc/86/59/98/619865998.db2.gz OYQGRYJEECIXAD-DREQZYJFSA-N -1 3 298.333 2.832 20 30 CFEDHM C[C@H](Cc1cnn(C)c1)/N=C\c1cc(Cl)ccc1[O-] ZINC000840710508 619912407 /nfs/dbraw/zinc/91/24/07/619912407.db2.gz SOKSXHNWFGPUJO-NUEDXCKTSA-N -1 3 277.755 2.829 20 30 CFEDHM C=CCOCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000797305707 619990562 /nfs/dbraw/zinc/99/05/62/619990562.db2.gz GMNMGRFRUXMRBK-UHFFFAOYSA-N -1 3 264.108 2.681 20 30 CFEDHM N#CC[C@@H]([N-]C(=O)C1(C(F)(F)F)CCC1)C(F)(F)F ZINC000928804715 620017636 /nfs/dbraw/zinc/01/76/36/620017636.db2.gz YYHXEYONYYZBGU-ZCFIWIBFSA-N -1 3 288.191 2.680 20 30 CFEDHM CC(=NOCCOC(C)C)c1cccc([O-])c1F ZINC000872376451 620096658 /nfs/dbraw/zinc/09/66/58/620096658.db2.gz LCSDXUWMBWTQNL-UHFFFAOYSA-N -1 3 255.289 2.697 20 30 CFEDHM CCn1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1 ZINC000899345280 620547260 /nfs/dbraw/zinc/54/72/60/620547260.db2.gz JNJMJNNIYANVPS-KZSPTFSBSA-N -1 3 287.294 2.526 20 30 CFEDHM C=C(C)CN(CC)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902060959 620972073 /nfs/dbraw/zinc/97/20/73/620972073.db2.gz ULLNMZXKPDJASE-UHFFFAOYSA-N -1 3 251.326 2.938 20 30 CFEDHM N#Cc1ccnc(CO[N-]C(=O)CCC2CCCCC2)c1 ZINC000902705029 621153167 /nfs/dbraw/zinc/15/31/67/621153167.db2.gz PNRDSGXEEBRJPO-UHFFFAOYSA-N -1 3 287.363 2.862 20 30 CFEDHM C[C@@H](NCC(C)(C)C#N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903100282 621252611 /nfs/dbraw/zinc/25/26/11/621252611.db2.gz MGNSCMSRAVYLMI-SECBINFHSA-N -1 3 263.297 2.501 20 30 CFEDHM Cc1n[nH]c(C)c1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904187332 621538650 /nfs/dbraw/zinc/53/86/50/621538650.db2.gz JJHCWGUNUVKEAB-UHFFFAOYSA-N -1 3 293.754 2.640 20 30 CFEDHM Cc1nn(C)c(C)c1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187268 621538993 /nfs/dbraw/zinc/53/89/93/621538993.db2.gz HVUTZISYDYCXIF-UHFFFAOYSA-N -1 3 293.754 2.722 20 30 CFEDHM O=C([C@@H]1C[C@]12CCOC2)N([O-])Cc1cccc2ccccc21 ZINC000904171644 621541319 /nfs/dbraw/zinc/54/13/19/621541319.db2.gz QHHYXQUEODNZGH-WMZOPIPTSA-N -1 3 297.354 2.984 20 30 CFEDHM O=C([C@H]1CCCCS1)N([O-])Cc1ccc(F)cc1 ZINC000904172917 621541862 /nfs/dbraw/zinc/54/18/62/621541862.db2.gz DOROMROOIWBSRB-GFCCVEGCSA-N -1 3 269.341 2.829 20 30 CFEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CCC1=O ZINC000904173917 621542199 /nfs/dbraw/zinc/54/21/99/621542199.db2.gz SWZSHXDBAMKWEL-PWSUYJOCSA-N -1 3 279.311 2.549 20 30 CFEDHM CC(F)(F)CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174799 621542824 /nfs/dbraw/zinc/54/28/24/621542824.db2.gz JUJBWCMKJUICQL-UHFFFAOYSA-N -1 3 261.243 2.979 20 30 CFEDHM CCCCCCN([O-])C(=O)C1(C#N)CC2(CC2)C1 ZINC000904207090 621543996 /nfs/dbraw/zinc/54/39/96/621543996.db2.gz QETXGQPQHMODQG-UHFFFAOYSA-N -1 3 250.342 2.868 20 30 CFEDHM CCCCN([O-])C(=O)Cc1coc(-c2cccs2)n1 ZINC000904210274 621544880 /nfs/dbraw/zinc/54/48/80/621544880.db2.gz JXUNEKQHCNWSLA-UHFFFAOYSA-N -1 3 280.349 2.964 20 30 CFEDHM CCCCN([O-])C(=O)c1sc([C@H](C)OC)nc1C ZINC000904210010 621545019 /nfs/dbraw/zinc/54/50/19/621545019.db2.gz DBTKPLAYDMHIDT-VIFPVBQESA-N -1 3 272.370 2.790 20 30 CFEDHM COCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904189078 621545883 /nfs/dbraw/zinc/54/58/83/621545883.db2.gz ZDCRECGIJNZNAA-UHFFFAOYSA-N -1 3 271.744 2.875 20 30 CFEDHM O=C(c1cn2c(n1)CCC2)N([O-])CCCCc1ccccc1 ZINC000904195493 621547145 /nfs/dbraw/zinc/54/71/45/621547145.db2.gz GFCPJXJRQFGSJT-UHFFFAOYSA-N -1 3 299.374 2.684 20 30 CFEDHM O=C(C[C@H]1CCCO1)N([O-])CCCCc1ccccc1 ZINC000904195380 621547302 /nfs/dbraw/zinc/54/73/02/621547302.db2.gz DYNOOENDTSEPKW-OAHLLOKOSA-N -1 3 277.364 2.796 20 30 CFEDHM CCCCCCN([O-])C(=O)C1CCC(OC)CC1 ZINC000904204953 621550487 /nfs/dbraw/zinc/55/04/87/621550487.db2.gz WAGIXEFIKXYDPZ-UHFFFAOYSA-N -1 3 257.374 2.990 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccc(F)cn1 ZINC000904204307 621550603 /nfs/dbraw/zinc/55/06/03/621550603.db2.gz JLRJNGULDAIOAS-UHFFFAOYSA-N -1 3 254.305 2.561 20 30 CFEDHM CCCCN([O-])C(=O)Cc1cccc2ncccc12 ZINC000904215905 621551781 /nfs/dbraw/zinc/55/17/81/621551781.db2.gz PNTDORYRXBYBIC-UHFFFAOYSA-N -1 3 258.321 2.795 20 30 CFEDHM CCCCN([O-])C(=O)CCc1nc(C2CCCC2)no1 ZINC000904212173 621553847 /nfs/dbraw/zinc/55/38/47/621553847.db2.gz MEGUSYJZNOWDCJ-UHFFFAOYSA-N -1 3 281.356 2.678 20 30 CFEDHM CCCCN([O-])C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000904213260 621554591 /nfs/dbraw/zinc/55/45/91/621554591.db2.gz MRLPRXDZKHCCQQ-UHFFFAOYSA-N -1 3 285.303 2.845 20 30 CFEDHM CCCCN([O-])C(=O)c1cc2ccncc2s1 ZINC000904214840 621555021 /nfs/dbraw/zinc/55/50/21/621555021.db2.gz PEFPWAGGORWCAH-UHFFFAOYSA-N -1 3 250.323 2.928 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000904214705 621555105 /nfs/dbraw/zinc/55/51/05/621555105.db2.gz KCWGAVLTCKMJJJ-NSHDSACASA-N -1 3 269.316 2.749 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000904214841 621555152 /nfs/dbraw/zinc/55/51/52/621555152.db2.gz PESFHGYRXIDCTB-CYBMUJFWSA-N -1 3 262.353 2.531 20 30 CFEDHM CC(=NNCCOC(C)C)c1ccc([O-])cc1Cl ZINC000905462010 621778730 /nfs/dbraw/zinc/77/87/30/621778730.db2.gz YTDGVDGASHCUFZ-UHFFFAOYSA-N -1 3 270.760 2.784 20 30 CFEDHM N#Cc1sccc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000906292916 621970364 /nfs/dbraw/zinc/97/03/64/621970364.db2.gz JQPBRWVQHIYUAC-UHFFFAOYSA-N -1 3 276.346 2.601 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@]2(C#N)CC2(C)C)c1 ZINC000908300204 622215860 /nfs/dbraw/zinc/21/58/60/622215860.db2.gz RMEHCTDYLURMIB-AWEZNQCLSA-N -1 3 294.301 2.595 20 30 CFEDHM CC(C)(C#N)CCCSc1ccc(-c2nnn[n-]2)cn1 ZINC000819892105 622567116 /nfs/dbraw/zinc/56/71/16/622567116.db2.gz UUUCBPZNFHZVJM-UHFFFAOYSA-N -1 3 288.380 2.684 20 30 CFEDHM CC(C)(C#N)CCCSc1ccc(-c2nn[n-]n2)cn1 ZINC000819892105 622567120 /nfs/dbraw/zinc/56/71/20/622567120.db2.gz UUUCBPZNFHZVJM-UHFFFAOYSA-N -1 3 288.380 2.684 20 30 CFEDHM C=CCCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000912379467 622696761 /nfs/dbraw/zinc/69/67/61/622696761.db2.gz SGOSFYGTOHHOOV-UHFFFAOYSA-N -1 3 297.380 2.796 20 30 CFEDHM CCOc1cc(CN=Nc2ncccn2)cc(Cl)c1[O-] ZINC000912973926 622809643 /nfs/dbraw/zinc/80/96/43/622809643.db2.gz BSFJOSWXVJLEEP-UHFFFAOYSA-N -1 3 292.726 2.680 20 30 CFEDHM CC1(c2nsc([N-]C(=O)c3ccsc3C#N)n2)CC1 ZINC000912987849 622814301 /nfs/dbraw/zinc/81/43/01/622814301.db2.gz MEZIDNDRSHNNDB-UHFFFAOYSA-N -1 3 290.373 2.775 20 30 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C=CCn1c(SCc2ncccc2[O-])nnc1C1CC1 ZINC000579070080 382979219 /nfs/dbraw/zinc/97/92/19/382979219.db2.gz TUODSIPSUAWULE-UHFFFAOYSA-N -1 3 288.376 2.734 20 30 CFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000566280772 383185463 /nfs/dbraw/zinc/18/54/63/383185463.db2.gz VLTQBOQBROUDJH-INIZCTEOSA-N -1 3 291.347 2.762 20 30 CFEDHM C=CCC1(C(=O)Nc2ccccc2[O-])CCOCC1 ZINC000424722216 383240793 /nfs/dbraw/zinc/24/07/93/383240793.db2.gz NLUASFFNJYZINY-UHFFFAOYSA-N -1 3 261.321 2.704 20 30 CFEDHM CC#CCCCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000468338609 383360482 /nfs/dbraw/zinc/36/04/82/383360482.db2.gz OCVQEYFYMFXCMR-UHFFFAOYSA-N -1 3 281.359 2.939 20 30 CFEDHM C=CCCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000450697376 383482677 /nfs/dbraw/zinc/48/26/77/383482677.db2.gz UYSAAYWARHISHK-UHFFFAOYSA-N -1 3 251.301 2.546 20 30 CFEDHM CCCn1c(SCc2cccc(F)c2C#N)n[n-]c1=O ZINC000488230075 383505864 /nfs/dbraw/zinc/50/58/64/383505864.db2.gz IKSIAVBHDVQPHJ-UHFFFAOYSA-N -1 3 292.339 2.697 20 30 CFEDHM CC(C)C[C@H](CNCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000263106494 383654804 /nfs/dbraw/zinc/65/48/04/383654804.db2.gz XVOVRQSETPVGBA-CYBMUJFWSA-N -1 3 278.327 2.534 20 30 CFEDHM N#CC1(CNCc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000572807629 383818982 /nfs/dbraw/zinc/81/89/82/383818982.db2.gz BBJQRQWKVVHVJE-UHFFFAOYSA-N -1 3 270.254 2.804 20 30 CFEDHM CC(C)(C#N)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436721562 383880582 /nfs/dbraw/zinc/88/05/82/383880582.db2.gz MFWHIMOMJUVREM-UHFFFAOYSA-N -1 3 272.348 2.551 20 30 CFEDHM Cc1cccc(C(=O)NCC#Cc2cccc(F)c2)c1[O-] ZINC000436656673 383866403 /nfs/dbraw/zinc/86/64/03/383866403.db2.gz NLXRVKZOETUKOW-UHFFFAOYSA-N -1 3 283.302 2.621 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436699321 383873490 /nfs/dbraw/zinc/87/34/90/383873490.db2.gz UDCKIPHKCBDRLA-LLVKDONJSA-N -1 3 290.363 2.825 20 30 CFEDHM CNc1ccc(C#N)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436705043 383875804 /nfs/dbraw/zinc/87/58/04/383875804.db2.gz IZPBNRNYUXGIAK-UHFFFAOYSA-N -1 3 281.315 2.866 20 30 CFEDHM C=C(CNC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436834888 383894949 /nfs/dbraw/zinc/89/49/49/383894949.db2.gz RWLYLTXRQDDNOH-UHFFFAOYSA-N -1 3 269.300 2.541 20 30 CFEDHM CCc1ccc(C(=O)NCC#Cc2ccccc2)c([O-])c1 ZINC000436805658 383896362 /nfs/dbraw/zinc/89/63/62/383896362.db2.gz YUXAHVDMCGKFRW-UHFFFAOYSA-N -1 3 279.339 2.736 20 30 CFEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)n2C)n1 ZINC000453690566 383898058 /nfs/dbraw/zinc/89/80/58/383898058.db2.gz JQTZLFUTDXKKSS-LLVKDONJSA-N -1 3 298.371 2.967 20 30 CFEDHM C#CCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000192192745 533021800 /nfs/dbraw/zinc/02/18/00/533021800.db2.gz LYWAFEVIGNGRHZ-UHFFFAOYSA-N -1 3 282.137 2.897 20 30 CFEDHM C=CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440417034 384082128 /nfs/dbraw/zinc/08/21/28/384082128.db2.gz QBEKMCXTYMQCRD-UHFFFAOYSA-N -1 3 281.764 2.958 20 30 CFEDHM N#CCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000280164809 384910723 /nfs/dbraw/zinc/91/07/23/384910723.db2.gz BLSJIPHVUJXUGT-UHFFFAOYSA-N -1 3 268.316 2.969 20 30 CFEDHM CCCc1nc(C)c(C([O-])=C(C#N)c2ccccn2)o1 ZINC000644786866 385059896 /nfs/dbraw/zinc/05/98/96/385059896.db2.gz UKYDZUOAZRJMRO-NSHDSACASA-N -1 3 269.304 2.821 20 30 CFEDHM CCCOc1ccc(CN(CC#N)C2CC2)c([O-])c1 ZINC000271143283 385349560 /nfs/dbraw/zinc/34/95/60/385349560.db2.gz QDDSODVKAVAFQQ-UHFFFAOYSA-N -1 3 260.337 2.669 20 30 CFEDHM C#CCN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000274097053 385718561 /nfs/dbraw/zinc/71/85/61/385718561.db2.gz OIMQEXHTHVRJJK-UHFFFAOYSA-N -1 3 269.344 2.509 20 30 CFEDHM C=CCN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281456890 195248535 /nfs/dbraw/zinc/24/85/35/195248535.db2.gz DPUAWLQSLPUCCG-UHFFFAOYSA-N -1 3 259.227 2.669 20 30 CFEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1C ZINC000300706648 296485872 /nfs/dbraw/zinc/48/58/72/296485872.db2.gz CIAOURRDUYXPMC-SCVCMEIPSA-N -1 3 298.433 2.723 20 30 CFEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c([O-])c1O ZINC000179504583 393467308 /nfs/dbraw/zinc/46/73/08/393467308.db2.gz FGGRGTKCFPVSOH-MGPLVRAMSA-N -1 3 288.347 2.609 20 30 CFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000334233306 393583092 /nfs/dbraw/zinc/58/30/92/393583092.db2.gz XRJMCVUIZNQBDT-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM N#CCc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000058243042 393624300 /nfs/dbraw/zinc/62/43/00/393624300.db2.gz ZYFDHYGNKGJLRT-UHFFFAOYSA-N -1 3 252.273 2.711 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1[O-] ZINC000335158941 393648318 /nfs/dbraw/zinc/64/83/18/393648318.db2.gz YDSNHVNPPYYMCI-ISVAXAHUSA-N -1 3 264.712 2.842 20 30 CFEDHM C=CCC1(C(=O)N=c2[nH][n-]cc2Br)CCCC1 ZINC000412343171 393766315 /nfs/dbraw/zinc/76/63/15/393766315.db2.gz VTLPYBOGVRKPPV-UHFFFAOYSA-N -1 3 298.184 2.669 20 30 CFEDHM C=CCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000343015110 393877756 /nfs/dbraw/zinc/87/77/56/393877756.db2.gz YXXQITKBJRWJII-UHFFFAOYSA-N -1 3 288.322 2.672 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1CC1(C)C ZINC000416647450 393935004 /nfs/dbraw/zinc/93/50/04/393935004.db2.gz MFONUUBUEMCDPK-GHMZBOCLSA-N -1 3 298.433 2.723 20 30 CFEDHM Cc1cccc(C(=O)N(CCC#N)Cc2ccco2)c1[O-] ZINC000120794748 393940621 /nfs/dbraw/zinc/94/06/21/393940621.db2.gz YFTBJVAHSSPNGS-UHFFFAOYSA-N -1 3 284.315 2.850 20 30 CFEDHM CC[C@](C)(C#N)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000352886955 394021074 /nfs/dbraw/zinc/02/10/74/394021074.db2.gz XTRJPVMKAXXEJF-QGZVFWFLSA-N -1 3 296.374 2.994 20 30 CFEDHM Cc1cc(Cl)cc(CN(CC#N)C2CC2)c1[O-] ZINC000271745628 394022653 /nfs/dbraw/zinc/02/26/53/394022653.db2.gz SSUUNOKUWDHNAY-UHFFFAOYSA-N -1 3 250.729 2.842 20 30 CFEDHM C=CCN(Cc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000348966643 393961323 /nfs/dbraw/zinc/96/13/23/393961323.db2.gz LMYKPDBRCREMFN-UHFFFAOYSA-N -1 3 274.345 2.677 20 30 CFEDHM N#CCCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000122712245 393971893 /nfs/dbraw/zinc/97/18/93/393971893.db2.gz GVBJZZQPRRHQNL-UHFFFAOYSA-N -1 3 259.338 2.653 20 30 CFEDHM CCc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000265690871 393976088 /nfs/dbraw/zinc/97/60/88/393976088.db2.gz GEGUWIGLBSUTTR-UHFFFAOYSA-N -1 3 287.344 2.911 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(F)cc(Cl)c1 ZINC000417603763 393982066 /nfs/dbraw/zinc/98/20/66/393982066.db2.gz AHQBARGIMUDMPC-LBPRGKRZSA-N -1 3 271.719 2.988 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(C)ccc1F ZINC000417625793 393986052 /nfs/dbraw/zinc/98/60/52/393986052.db2.gz MVCLRUQNCAZBTA-LBPRGKRZSA-N -1 3 251.301 2.643 20 30 CFEDHM C=CCOc1cccc(CN[C@@H](C=C)CCC(=O)[O-])c1 ZINC000417634927 393988385 /nfs/dbraw/zinc/98/83/85/393988385.db2.gz ZIWKIITZFIVEDP-AWEZNQCLSA-N -1 3 275.348 2.760 20 30 CFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cccc([O-])c1F ZINC000129620503 394091409 /nfs/dbraw/zinc/09/14/09/394091409.db2.gz XNRIBJHMGCDRLZ-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM Cc1nsc([N-]C(=O)c2cc(C#N)cs2)c1C#N ZINC000439295219 394111075 /nfs/dbraw/zinc/11/10/75/394111075.db2.gz KQPHIYRFAJNIJO-UHFFFAOYSA-N -1 3 274.330 2.509 20 30 CFEDHM C[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000448812411 394191639 /nfs/dbraw/zinc/19/16/39/394191639.db2.gz NXKNFODRDXXNMI-LLVKDONJSA-N -1 3 268.316 2.506 20 30 CFEDHM C=CCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000154770159 394301342 /nfs/dbraw/zinc/30/13/42/394301342.db2.gz KJRKYNOPDVIIFU-UHFFFAOYSA-N -1 3 256.689 2.572 20 30 CFEDHM C=CCCNCc1cccc([O-])c1Br ZINC000315377901 413098500 /nfs/dbraw/zinc/09/85/00/413098500.db2.gz OLSMQMSGYKRNEQ-UHFFFAOYSA-N -1 3 256.143 2.820 20 30 CFEDHM C#CC(C)(C)N(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000285581253 397632835 /nfs/dbraw/zinc/63/28/35/397632835.db2.gz AYTPTJPJCDCXJH-UHFFFAOYSA-N -1 3 285.343 2.651 20 30 CFEDHM C=C(CC)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656768694 413202469 /nfs/dbraw/zinc/20/24/69/413202469.db2.gz WIHSYYRZVUSGFS-RDBSUJKOSA-N -1 3 251.370 2.918 20 30 CFEDHM C=CCCCC(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000179777226 260068315 /nfs/dbraw/zinc/06/83/15/260068315.db2.gz VOOGVSKFUZUKOC-UHFFFAOYSA-N -1 3 287.319 2.644 20 30 CFEDHM C=CCCCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000179777226 260068316 /nfs/dbraw/zinc/06/83/16/260068316.db2.gz VOOGVSKFUZUKOC-UHFFFAOYSA-N -1 3 287.319 2.644 20 30 CFEDHM C=CCN(CC=C)CC[C@H](C(=O)[O-])c1ccccc1 ZINC000652367234 413911346 /nfs/dbraw/zinc/91/13/46/413911346.db2.gz ADFTYZWPUGRTJR-HNNXBMFYSA-N -1 3 259.349 2.919 20 30 CFEDHM CCc1c[nH]c(=O)c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000659010661 414429904 /nfs/dbraw/zinc/42/99/04/414429904.db2.gz VECSHSYYCNFWRK-NSHDSACASA-N -1 3 287.344 2.605 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000662091531 414405786 /nfs/dbraw/zinc/40/57/86/414405786.db2.gz ZMXNDQOBIDCXLC-UPJWGTAASA-N -1 3 259.353 2.735 20 30 CFEDHM C=CCCn1cc(C=Cc2cc(=O)[n-]c(C(C)(C)C)n2)nn1 ZINC000656613472 414617572 /nfs/dbraw/zinc/61/75/72/414617572.db2.gz JYTGCUPLWBTHKE-BQYQJAHWSA-N -1 3 299.378 2.818 20 30 CFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@H]1CC12CCCC2 ZINC000330084973 228035409 /nfs/dbraw/zinc/03/54/09/228035409.db2.gz CMJSKJOGULLRMP-SSDOTTSWSA-N -1 3 288.273 2.860 20 30 CFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)[C@H]1CC12CCCC2 ZINC000330084973 228035412 /nfs/dbraw/zinc/03/54/12/228035412.db2.gz CMJSKJOGULLRMP-SSDOTTSWSA-N -1 3 288.273 2.860 20 30 CFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CC12CCCC2 ZINC000330084973 228035415 /nfs/dbraw/zinc/03/54/15/228035415.db2.gz CMJSKJOGULLRMP-SSDOTTSWSA-N -1 3 288.273 2.860 20 30 CFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188448656 260142611 /nfs/dbraw/zinc/14/26/11/260142611.db2.gz RAQSMARUZAURTQ-QMMMGPOBSA-N -1 3 292.813 2.681 20 30 CFEDHM Cc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)c1[O-] ZINC000040360082 260222103 /nfs/dbraw/zinc/22/21/03/260222103.db2.gz MXAWDIMNUVAQAY-CQSZACIVSA-N -1 3 272.348 2.903 20 30 CFEDHM COCCOCC/N=C/c1c([O-])ccc2ccccc21 ZINC000067943221 260254089 /nfs/dbraw/zinc/25/40/89/260254089.db2.gz RBSOCCPUYYMGII-SFQUDFHCSA-N -1 3 273.332 2.627 20 30 CFEDHM COCCC1(C/N=C/c2ccc(O)c([O-])c2O)CCCC1 ZINC000155032220 261097171 /nfs/dbraw/zinc/09/71/71/261097171.db2.gz AFGLYTHQLQOQMZ-LICLKQGHSA-N -1 3 293.363 2.819 20 30 CFEDHM C=CCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000102339585 261217856 /nfs/dbraw/zinc/21/78/56/261217856.db2.gz CRFMYPKCMUJDSQ-UHFFFAOYSA-N -1 3 283.331 2.650 20 30 CFEDHM C#CCN(C(=O)c1ccccc1[O-])C1CCCCC1 ZINC000490914349 261245604 /nfs/dbraw/zinc/24/56/04/261245604.db2.gz HSWKEYFPROJNBE-UHFFFAOYSA-N -1 3 257.333 2.800 20 30 CFEDHM CCCOc1ccc(/C=N/C[C@@H](C)OC)c([O-])c1 ZINC000188127726 262149829 /nfs/dbraw/zinc/14/98/29/262149829.db2.gz WVVJUGUVAWGTOP-HGLKBHAMSA-N -1 3 251.326 2.635 20 30 CFEDHM Cc1cccc(C(=O)N(CCC#N)Cc2cccnc2)c1[O-] ZINC000020260268 262244126 /nfs/dbraw/zinc/24/41/26/262244126.db2.gz LTDMPAUZGPKTQO-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM CC(C)c1ccc(C(=O)N(C)[C@H](C)CC#N)c([O-])c1 ZINC000271305467 262995582 /nfs/dbraw/zinc/99/55/82/262995582.db2.gz RPQZJCDHUDEFSE-LLVKDONJSA-N -1 3 260.337 2.890 20 30 CFEDHM CC(C)C[C@@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000271903408 263000203 /nfs/dbraw/zinc/00/02/03/263000203.db2.gz BFZSPQJMILWYBU-YDCWUURFSA-N -1 3 293.363 2.816 20 30 CFEDHM CC[C@H](CC#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000273840297 263019831 /nfs/dbraw/zinc/01/98/31/263019831.db2.gz HOYCZKMKOIZVKC-SECBINFHSA-N -1 3 270.254 2.726 20 30 CFEDHM CSCCON=C([O-])Nc1ccc(C(C)(C)C#N)cc1 ZINC000280482963 263062131 /nfs/dbraw/zinc/06/21/31/263062131.db2.gz JKYKQNKBHJYRHT-UHFFFAOYSA-N -1 3 293.392 2.904 20 30 CFEDHM CSCCO[N-]C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000280482963 263062132 /nfs/dbraw/zinc/06/21/32/263062132.db2.gz JKYKQNKBHJYRHT-UHFFFAOYSA-N -1 3 293.392 2.904 20 30 CFEDHM N#CCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000291055684 263119725 /nfs/dbraw/zinc/11/97/25/263119725.db2.gz ABNQBFFWFLPHHN-UHFFFAOYSA-N -1 3 283.125 2.787 20 30 CFEDHM CCc1cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1[O-] ZINC000292053259 263127766 /nfs/dbraw/zinc/12/77/66/263127766.db2.gz YSQQSBQIYPFZEE-CYBMUJFWSA-N -1 3 260.337 2.623 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000293482961 263142026 /nfs/dbraw/zinc/14/20/26/263142026.db2.gz LOTJMDSDEGKYRG-HNNXBMFYSA-N -1 3 290.313 2.765 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000293673085 263146695 /nfs/dbraw/zinc/14/66/95/263146695.db2.gz JQWGMNPSGJXTBC-PWSUYJOCSA-N -1 3 256.296 2.786 20 30 CFEDHM Cc1ccc(C(=O)NC2(C#N)CCCC2)c([O-])c1C ZINC000298747674 263225260 /nfs/dbraw/zinc/22/52/60/263225260.db2.gz LVRDCLABWPDIAS-UHFFFAOYSA-N -1 3 258.321 2.575 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000340891946 263312197 /nfs/dbraw/zinc/31/21/97/263312197.db2.gz STHKVLHNFOEGCA-ZETCQYMHSA-N -1 3 280.176 2.846 20 30 CFEDHM C=CCOc1cccnc1C(=O)[N-]c1c(C)noc1C ZINC000341911512 263365751 /nfs/dbraw/zinc/36/57/51/263365751.db2.gz CATPHYHDMBDBQB-UHFFFAOYSA-N -1 3 273.292 2.504 20 30 CFEDHM CCc1ccc(C(=O)NC[C@]2(C)CCOC2)c([O-])c1 ZINC000331224859 264149797 /nfs/dbraw/zinc/14/97/97/264149797.db2.gz BQKGONZURLAJGQ-HNNXBMFYSA-N -1 3 263.337 2.686 20 30 CFEDHM CC1(C)CCCN(CCNC(=O)c2ccccc2[O-])C1 ZINC000331223641 264167399 /nfs/dbraw/zinc/16/73/99/264167399.db2.gz ACBXUFPJHMEULW-UHFFFAOYSA-N -1 3 276.380 2.819 20 30 CFEDHM Cc1cccc(C(=O)N[C@H](CO)CC2CCCC2)c1[O-] ZINC000331243266 264177699 /nfs/dbraw/zinc/17/76/99/264177699.db2.gz RLWJPMHYGNURJO-ZDUSSCGKSA-N -1 3 277.364 2.946 20 30 CFEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1F ZINC000357448537 266298362 /nfs/dbraw/zinc/29/83/62/266298362.db2.gz WMVCNGPXJGZADN-AWEZNQCLSA-N -1 3 270.263 2.526 20 30 CFEDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227301332 267019225 /nfs/dbraw/zinc/01/92/25/267019225.db2.gz KRXCCAAVKNTAQM-BXKDBHETSA-N -1 3 298.795 2.679 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)(C)C ZINC000523567921 267221614 /nfs/dbraw/zinc/22/16/14/267221614.db2.gz LDLOUZIFRYJKBW-ZDUSSCGKSA-N -1 3 298.383 2.800 20 30 CFEDHM N#Cc1ccc(Cc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000225259545 268093547 /nfs/dbraw/zinc/09/35/47/268093547.db2.gz ZSTLXSMOELANRX-UHFFFAOYSA-N -1 3 277.283 2.905 20 30 CFEDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000535735056 281506797 /nfs/dbraw/zinc/50/67/97/281506797.db2.gz 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ZINC000733748228 574254716 /nfs/dbraw/zinc/25/47/16/574254716.db2.gz MEJBFTWTJAYJMB-UHFFFAOYSA-N -1 3 264.288 2.781 20 30 CFEDHM CCOc1ccc(/C=N\C[C@@H](O)c2ccc(C)o2)c([O-])c1 ZINC000741165631 574282630 /nfs/dbraw/zinc/28/26/30/574282630.db2.gz PISMBJPBBYDUFG-GESOSKEOSA-N -1 3 289.331 2.845 20 30 CFEDHM CCC(CC)NN=C1C(=O)[N-]c2c1c(Cl)ccc2F ZINC000734364709 574283988 /nfs/dbraw/zinc/28/39/88/574283988.db2.gz CGHPRLOVEYPNLP-UHFFFAOYSA-N -1 3 283.734 2.914 20 30 CFEDHM CCC(CC)NN=C(C)c1ccc(OC)cc1[O-] ZINC000734366598 574284002 /nfs/dbraw/zinc/28/40/02/574284002.db2.gz YRUOCCOCCUMKRF-UHFFFAOYSA-N -1 3 250.342 2.903 20 30 CFEDHM Cc1ncc2c(n1)CCC[C@H]2/N=C/c1ccccc1[O-] ZINC000734752208 574301107 /nfs/dbraw/zinc/30/11/07/574301107.db2.gz BBCSNDAMTRVXHJ-UHPUNMKFSA-N -1 3 267.332 2.987 20 30 CFEDHM CCOc1ccc(/C=N\CCOC2CCC2)c([O-])c1 ZINC000743044392 574303173 /nfs/dbraw/zinc/30/31/73/574303173.db2.gz IRTYPUSLEYPFOT-WJDWOHSUSA-N -1 3 263.337 2.779 20 30 CFEDHM C[C@@H]1CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448178 574305954 /nfs/dbraw/zinc/30/59/54/574305954.db2.gz CKJXAEVNCHUXOK-CYBMUJFWSA-N -1 3 294.420 2.715 20 30 CFEDHM COc1cccc([O-])c1C=NNc1ccc(Cl)nc1 ZINC000743450926 574306238 /nfs/dbraw/zinc/30/62/38/574306238.db2.gz USBQLWNHGBEBFO-UHFFFAOYSA-N -1 3 277.711 2.895 20 30 CFEDHM C#Cc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cn1 ZINC000735118853 574313379 /nfs/dbraw/zinc/31/33/79/574313379.db2.gz UGXYPNUTSMANGS-UHFFFAOYSA-N -1 3 286.718 2.983 20 30 CFEDHM CS[C@@H]1CCC[C@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000735229062 574316090 /nfs/dbraw/zinc/31/60/90/574316090.db2.gz PZKUQSLEPVKHLF-BHPMVAPWSA-N -1 3 281.377 2.897 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207230 574316489 /nfs/dbraw/zinc/31/64/89/574316489.db2.gz FVJAAMHZDFNSRF-UQYHUFHVSA-N -1 3 286.331 2.699 20 30 CFEDHM Cc1cnc([C@@H](C)/N=C\c2ccc(O)c([O-])c2O)s1 ZINC000749931243 574316684 /nfs/dbraw/zinc/31/66/84/574316684.db2.gz SJHGVXCBTTXUJQ-AXFUIOLUSA-N -1 3 278.333 2.748 20 30 CFEDHM C=CCCCN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735412436 574322681 /nfs/dbraw/zinc/32/26/81/574322681.db2.gz ALMQNFDTLCAZEO-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C=CCCCN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735412436 574322683 /nfs/dbraw/zinc/32/26/83/574322683.db2.gz ALMQNFDTLCAZEO-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM N#Cc1cc(COC(=O)c2ccc(F)cc2[O-])ccc1F ZINC000750159021 574328827 /nfs/dbraw/zinc/32/88/27/574328827.db2.gz KGVRLKYAEUNDHM-UHFFFAOYSA-N -1 3 289.237 2.899 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000739052660 574329073 /nfs/dbraw/zinc/32/90/73/574329073.db2.gz HTYGZFGWMAAHKI-IUODEOHRSA-N -1 3 287.363 2.693 20 30 CFEDHM Cc1cccc(F)c1C/N=C\c1ccc(O)c([O-])c1O ZINC000743042614 574352246 /nfs/dbraw/zinc/35/22/46/574352246.db2.gz MGSPMJIYVQITDC-IDUWFGFVSA-N -1 3 275.279 2.870 20 30 CFEDHM N#CCc1ccc(COC(=O)c2ccc(F)cc2[O-])cc1 ZINC000750812755 574356561 /nfs/dbraw/zinc/35/65/61/574356561.db2.gz NIKKLLUUZUQUPV-UHFFFAOYSA-N -1 3 285.274 2.954 20 30 CFEDHM CC(=O)NC1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000750950241 574365246 /nfs/dbraw/zinc/36/52/46/574365246.db2.gz QVLYYVVRJIJFOJ-RQZCQDPDSA-N -1 3 294.782 2.912 20 30 CFEDHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000750992043 574367050 /nfs/dbraw/zinc/36/70/50/574367050.db2.gz RIWUHWFGSCWNKQ-LLVKDONJSA-N -1 3 298.383 2.944 20 30 CFEDHM COc1cccc([O-])c1/C=N\CC1(C)CCOCC1 ZINC000753137583 574399051 /nfs/dbraw/zinc/39/90/51/574399051.db2.gz IRUCFBMHHZUKKI-YBEGLDIGSA-N -1 3 263.337 2.636 20 30 CFEDHM COC(=O)c1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)c[nH]1 ZINC000753142833 574399188 /nfs/dbraw/zinc/39/91/88/574399188.db2.gz AMVXZBHEFCDIER-HWKANZROSA-N -1 3 285.299 2.711 20 30 CFEDHM N#CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737697619 598902370 /nfs/dbraw/zinc/90/23/70/598902370.db2.gz JTLBOMMCDRLUGU-UHFFFAOYSA-N -1 3 294.343 2.544 20 30 CFEDHM N#CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737697619 598902372 /nfs/dbraw/zinc/90/23/72/598902372.db2.gz JTLBOMMCDRLUGU-UHFFFAOYSA-N -1 3 294.343 2.544 20 30 CFEDHM CCC(CC)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000820898010 599338915 /nfs/dbraw/zinc/33/89/15/599338915.db2.gz SEGRAACZVQPUML-UHFFFAOYSA-N -1 3 298.394 2.685 20 30 CFEDHM CCC(CC)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000820898010 599338916 /nfs/dbraw/zinc/33/89/16/599338916.db2.gz SEGRAACZVQPUML-UHFFFAOYSA-N -1 3 298.394 2.685 20 30 CFEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1 ZINC000900094506 620636969 /nfs/dbraw/zinc/63/69/69/620636969.db2.gz NTLMITWOCKJDCK-UHFFFAOYSA-N -1 3 274.295 2.869 20 30 CFEDHM Cc1ncsc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095643 620637083 /nfs/dbraw/zinc/63/70/83/620637083.db2.gz HTVSILSCFGPJKU-UHFFFAOYSA-N -1 3 266.297 2.622 20 30 CFEDHM Cc1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000821147020 598160142 /nfs/dbraw/zinc/16/01/42/598160142.db2.gz ROGKOVWPFWQPKI-NSHDSACASA-N -1 3 286.312 2.640 20 30 CFEDHM C=C(C)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819722299 607373321 /nfs/dbraw/zinc/37/33/21/607373321.db2.gz GGUULIWLAZSZPV-UHFFFAOYSA-N -1 3 273.340 2.642 20 30 CFEDHM C=C(C)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819722299 607373324 /nfs/dbraw/zinc/37/33/24/607373324.db2.gz GGUULIWLAZSZPV-UHFFFAOYSA-N -1 3 273.340 2.642 20 30 CFEDHM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000315478739 600438672 /nfs/dbraw/zinc/43/86/72/600438672.db2.gz SENRKBXAJYCMHV-QGZVFWFLSA-N -1 3 295.338 2.614 20 30 CFEDHM C/C(=C/CN(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000825730223 601159617 /nfs/dbraw/zinc/15/96/17/601159617.db2.gz TWZHQPSZUOZCQW-WQLSENKSSA-N -1 3 270.332 2.554 20 30 CFEDHM C=C(C)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825642338 601898136 /nfs/dbraw/zinc/89/81/36/601898136.db2.gz PTDYUOCGGSNJLZ-GFCCVEGCSA-N -1 3 273.254 2.738 20 30 CFEDHM C=C(CNCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000823480796 603543785 /nfs/dbraw/zinc/54/37/85/603543785.db2.gz OPLAFLIWYAOANZ-UHFFFAOYSA-N -1 3 283.331 2.975 20 30 CFEDHM C=CCNc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823925901 607643664 /nfs/dbraw/zinc/64/36/64/607643664.db2.gz QIZMXAFYCHUVKE-UHFFFAOYSA-N -1 3 284.348 2.588 20 30 CFEDHM C=CCNc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823925901 607643665 /nfs/dbraw/zinc/64/36/65/607643665.db2.gz QIZMXAFYCHUVKE-UHFFFAOYSA-N -1 3 284.348 2.588 20 30 CFEDHM C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833614478 604604675 /nfs/dbraw/zinc/60/46/75/604604675.db2.gz NOCLAEMVJTUSNM-GFCCVEGCSA-N -1 3 272.348 2.878 20 30 CFEDHM C[C@@H]1[C@@H](C)CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833613118 604611006 /nfs/dbraw/zinc/61/10/06/604611006.db2.gz DJAXQUPBHKJOCL-NWDGAFQWSA-N -1 3 272.348 2.877 20 30 CFEDHM C=CCN(CCc1ccco1)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833374204 605116014 /nfs/dbraw/zinc/11/60/14/605116014.db2.gz CHIOXLZSAYTSKV-UHFFFAOYSA-N -1 3 274.320 2.537 20 30 CFEDHM CC(C)(C#N)CCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833406991 605190419 /nfs/dbraw/zinc/19/04/19/605190419.db2.gz GHCKBALDPXGBKC-UHFFFAOYSA-N -1 3 296.317 2.791 20 30 CFEDHM C#CCN(Cc1ccc(NC(=O)[O-])nc1)C1CCCC1 ZINC000833787681 605618778 /nfs/dbraw/zinc/61/87/78/605618778.db2.gz XRFCLAVXXAMXAH-UHFFFAOYSA-N -1 3 273.336 2.549 20 30 CFEDHM N#CCC[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000833967884 605645750 /nfs/dbraw/zinc/64/57/50/605645750.db2.gz HVSUMNUIQZHJAZ-HUUCEWRRSA-N -1 3 287.363 2.763 20 30 CFEDHM Fc1ccccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822796432 606206380 /nfs/dbraw/zinc/20/63/80/606206380.db2.gz QTHRZCSDZQMLJG-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM Fc1ccccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822796432 606206381 /nfs/dbraw/zinc/20/63/81/606206381.db2.gz QTHRZCSDZQMLJG-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(O)c1 ZINC000822922640 606304516 /nfs/dbraw/zinc/30/45/16/606304516.db2.gz IJNMWXXAWSAQFX-SNAWJCMRSA-N -1 3 298.327 2.530 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(O)c1 ZINC000822922640 606304518 /nfs/dbraw/zinc/30/45/18/606304518.db2.gz IJNMWXXAWSAQFX-SNAWJCMRSA-N -1 3 298.327 2.530 20 30 CFEDHM C=CCCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734838 606350556 /nfs/dbraw/zinc/35/05/56/606350556.db2.gz VEJDCTVHUJMWSC-LLVKDONJSA-N -1 3 286.335 2.827 20 30 CFEDHM C=CCCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734838 606350557 /nfs/dbraw/zinc/35/05/57/606350557.db2.gz VEJDCTVHUJMWSC-LLVKDONJSA-N -1 3 286.335 2.827 20 30 CFEDHM C#CCCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819693114 606947481 /nfs/dbraw/zinc/94/74/81/606947481.db2.gz NSXOIABVJIUVLJ-UHFFFAOYSA-N -1 3 292.346 2.630 20 30 CFEDHM C#CCCCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819693114 606947482 /nfs/dbraw/zinc/94/74/82/606947482.db2.gz NSXOIABVJIUVLJ-UHFFFAOYSA-N -1 3 292.346 2.630 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccccc1C#N ZINC000822221593 607028260 /nfs/dbraw/zinc/02/82/60/607028260.db2.gz WGNHRAZXBKLYOD-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccccc1C#N ZINC000822221593 607028261 /nfs/dbraw/zinc/02/82/61/607028261.db2.gz WGNHRAZXBKLYOD-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM C=C(C)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819722374 607042315 /nfs/dbraw/zinc/04/23/15/607042315.db2.gz HVIPLWZSKITJLX-UHFFFAOYSA-N -1 3 295.140 2.584 20 30 CFEDHM C=C(C)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819722374 607042317 /nfs/dbraw/zinc/04/23/17/607042317.db2.gz HVIPLWZSKITJLX-UHFFFAOYSA-N -1 3 295.140 2.584 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822379056 607252089 /nfs/dbraw/zinc/25/20/89/607252089.db2.gz JOBGUTZACYMNTG-DAXSKMNVSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822379056 607252090 /nfs/dbraw/zinc/25/20/90/607252090.db2.gz JOBGUTZACYMNTG-DAXSKMNVSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822379057 607252152 /nfs/dbraw/zinc/25/21/52/607252152.db2.gz JOBGUTZACYMNTG-QPJJXVBHSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822379057 607252153 /nfs/dbraw/zinc/25/21/53/607252153.db2.gz JOBGUTZACYMNTG-QPJJXVBHSA-N -1 3 280.287 2.664 20 30 CFEDHM Clc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826352880 607882295 /nfs/dbraw/zinc/88/22/95/607882295.db2.gz RFGDPYXUQATINS-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM Clc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826352880 607882296 /nfs/dbraw/zinc/88/22/96/607882296.db2.gz RFGDPYXUQATINS-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000826281169 607915637 /nfs/dbraw/zinc/91/56/37/607915637.db2.gz HFWOOWWOGUNSMC-XQRVVYSFSA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000826281169 607915638 /nfs/dbraw/zinc/91/56/38/607915638.db2.gz HFWOOWWOGUNSMC-XQRVVYSFSA-N -1 3 298.277 2.803 20 30 CFEDHM CC(=NNc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962513 608091842 /nfs/dbraw/zinc/09/18/42/608091842.db2.gz KUGYOMCYAIUJOU-UHFFFAOYSA-N -1 3 284.348 2.764 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC000823894117 608332833 /nfs/dbraw/zinc/33/28/33/608332833.db2.gz HYRMFBHRNGDIMM-SECBINFHSA-N -1 3 292.364 2.830 20 30 CFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCC2CCCC2)n1 ZINC000826350049 608541202 /nfs/dbraw/zinc/54/12/02/608541202.db2.gz GGFRBBICQJKSAH-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCC2CCCC2)n1 ZINC000826350049 608541204 /nfs/dbraw/zinc/54/12/04/608541204.db2.gz GGFRBBICQJKSAH-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962234 609276847 /nfs/dbraw/zinc/27/68/47/609276847.db2.gz HXEZCXRNUGFSJE-UHFFFAOYSA-N -1 3 289.314 2.689 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962234 609276849 /nfs/dbraw/zinc/27/68/49/609276849.db2.gz HXEZCXRNUGFSJE-UHFFFAOYSA-N -1 3 289.314 2.689 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC000900682765 620701705 /nfs/dbraw/zinc/70/17/05/620701705.db2.gz RIDSMOKEGXDVSA-NSHDSACASA-N -1 3 276.336 2.520 20 30 CFEDHM C=C(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000823877821 609318039 /nfs/dbraw/zinc/31/80/39/609318039.db2.gz GWYGRPLTHWEJKU-UHFFFAOYSA-N -1 3 294.362 2.736 20 30 CFEDHM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000823877821 609318041 /nfs/dbraw/zinc/31/80/41/609318041.db2.gz GWYGRPLTHWEJKU-UHFFFAOYSA-N -1 3 294.362 2.736 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000900683417 620702180 /nfs/dbraw/zinc/70/21/80/620702180.db2.gz XLKSPCQQGNNCHE-ZJUUUORDSA-N -1 3 283.290 2.894 20 30 CFEDHM CC#CC/N=C/c1cc(Br)ccc1[O-] ZINC000134451058 617728019 /nfs/dbraw/zinc/72/80/19/617728019.db2.gz KYLZBWQVSIQREJ-MDWZMJQESA-N -1 3 252.111 2.597 20 30 CFEDHM CCc1nn(C)cc1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000255475344 617976820 /nfs/dbraw/zinc/97/68/20/617976820.db2.gz TULJCZPEGDPRDK-SREVYHEPSA-N -1 3 286.331 2.593 20 30 CFEDHM O=C([C@@H]1CCOC2(CCC2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901372639 620796232 /nfs/dbraw/zinc/79/62/32/620796232.db2.gz JWXYYLLWUVZKNR-CYBMUJFWSA-N -1 3 293.338 2.893 20 30 CFEDHM Cc1nn(C(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371834 620796722 /nfs/dbraw/zinc/79/67/22/620796722.db2.gz JBNJYSNLUFJPIY-UHFFFAOYSA-N -1 3 291.326 2.943 20 30 CFEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372066 620797262 /nfs/dbraw/zinc/79/72/62/620797262.db2.gz PAYXDRYMTKHISJ-DYNIEEOBSA-N -1 3 281.327 2.603 20 30 CFEDHM O=C1[C@H](NCc2cc(Cl)sc2Cl)CCCN1[O-] ZINC000895157682 618404723 /nfs/dbraw/zinc/40/47/23/618404723.db2.gz DOVXNPFKPZLVKU-SSDOTTSWSA-N -1 3 295.191 2.525 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000856029128 618422777 /nfs/dbraw/zinc/42/27/77/618422777.db2.gz AOBJPQGFRPADIL-UHFFFAOYSA-N -1 3 253.729 2.897 20 30 CFEDHM C=CCCO[N-]C(=O)CCCc1ccc(F)c(F)c1 ZINC000856032080 618424051 /nfs/dbraw/zinc/42/40/51/618424051.db2.gz FZOKJMBKOYDIPB-UHFFFAOYSA-N -1 3 269.291 2.911 20 30 CFEDHM COc1cc(C=NOCCSC)cc(Cl)c1[O-] ZINC000794574259 618433816 /nfs/dbraw/zinc/43/38/16/618433816.db2.gz ZZGBALBJYIUSOB-UHFFFAOYSA-N -1 3 275.757 2.768 20 30 CFEDHM Cc1ccc(CC(=O)[N-]OCc2ccc(C#N)cc2F)cc1 ZINC000177580614 618452905 /nfs/dbraw/zinc/45/29/05/618452905.db2.gz SVLDQYUGJDKADW-UHFFFAOYSA-N -1 3 298.317 2.796 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895227479 618485883 /nfs/dbraw/zinc/48/58/83/618485883.db2.gz BIWBIAIDWGUFEU-JTQLQIEISA-N -1 3 266.291 2.796 20 30 CFEDHM C=CC1CCN(Cc2cc(C(=O)[O-])c(CC)o2)CC1 ZINC000901432266 620818500 /nfs/dbraw/zinc/81/85/00/620818500.db2.gz WWFDVJICQIQDJC-UHFFFAOYSA-N -1 3 263.337 2.938 20 30 CFEDHM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000726532547 619250650 /nfs/dbraw/zinc/25/06/50/619250650.db2.gz KVFQSEAUWAEIGH-NSHDSACASA-N -1 3 252.264 2.587 20 30 CFEDHM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000726559959 619251445 /nfs/dbraw/zinc/25/14/45/619251445.db2.gz RLTUGWMOTBRZGW-LBPRGKRZSA-N -1 3 266.291 2.833 20 30 CFEDHM C=C(C)C[C@@H](NCc1cc(F)ccc1[O-])C(=O)OCC ZINC000895598242 619563580 /nfs/dbraw/zinc/56/35/80/619563580.db2.gz PRSVCGDPNYTRJM-CYBMUJFWSA-N -1 3 281.327 2.519 20 30 CFEDHM C#CCC1(O)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000895669947 619582490 /nfs/dbraw/zinc/58/24/90/619582490.db2.gz MJEVBPYRNGXUCN-UHFFFAOYSA-N -1 3 297.757 2.535 20 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2.651 20 30 CFEDHM C=CCN(Cc1ccccc1F)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887901 621460268 /nfs/dbraw/zinc/46/02/68/621460268.db2.gz IRDZDLVKJCJASI-QWHCGFSZSA-N -1 3 263.312 2.534 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccc(C(C)=O)o1 ZINC000904203946 621550087 /nfs/dbraw/zinc/55/00/87/621550087.db2.gz AXTDSUROWNSEFA-UHFFFAOYSA-N -1 3 253.298 2.894 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000904213734 621554657 /nfs/dbraw/zinc/55/46/57/621554657.db2.gz YTSLUXCKEVJOCK-RKDXNWHRSA-N -1 3 253.264 2.983 20 30 CFEDHM COCCC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173116 621541684 /nfs/dbraw/zinc/54/16/84/621541684.db2.gz GXTMIJFTSLLTAK-UHFFFAOYSA-N -1 3 269.316 2.606 20 30 CFEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CCC1=O ZINC000904173916 621542119 /nfs/dbraw/zinc/54/21/19/621542119.db2.gz SWZSHXDBAMKWEL-JQWIXIFHSA-N -1 3 279.311 2.549 20 30 CFEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1C(C)C ZINC000904177374 621542978 /nfs/dbraw/zinc/54/29/78/621542978.db2.gz CMFXFYQKNCTVDL-UHFFFAOYSA-N -1 3 291.326 2.943 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000904206528 621544113 /nfs/dbraw/zinc/54/41/13/621544113.db2.gz AQVQVWWHSNGNLR-LBPRGKRZSA-N -1 3 267.373 2.626 20 30 CFEDHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N([O-])CCCC ZINC000904208192 621544595 /nfs/dbraw/zinc/54/45/95/621544595.db2.gz PQMCEROJMRCXPA-LBPRGKRZSA-N -1 3 288.347 2.520 20 30 CFEDHM CCCCN([O-])C(=O)c1c(C)noc1C(F)(F)F ZINC000904210028 621545024 /nfs/dbraw/zinc/54/50/24/621545024.db2.gz DUCSTROTFWSMHY-UHFFFAOYSA-N -1 3 266.219 2.633 20 30 CFEDHM CCCCN([O-])C(=O)C(C)(C)CNC(=O)OC(C)(C)C ZINC000904209948 621545127 /nfs/dbraw/zinc/54/51/27/621545127.db2.gz BKLKVXYNJIRWTL-UHFFFAOYSA-N -1 3 288.388 2.555 20 30 CFEDHM C#CCC(CC#C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904189871 621545921 /nfs/dbraw/zinc/54/59/21/621545921.db2.gz CHSLZWGEWVYFKD-UHFFFAOYSA-N -1 3 275.735 2.721 20 30 CFEDHM CCc1c(C(=O)N([O-])Cc2ccccc2Cl)cnn1C ZINC000904188993 621545979 /nfs/dbraw/zinc/54/59/79/621545979.db2.gz VXOKEEDBBISACG-UHFFFAOYSA-N -1 3 293.754 2.668 20 30 CFEDHM CCN(CC(=O)N([O-])Cc1ccccc1Cl)C1CC1 ZINC000904190648 621546320 /nfs/dbraw/zinc/54/63/20/621546320.db2.gz PAFBRNHMZPBCSZ-UHFFFAOYSA-N -1 3 282.771 2.542 20 30 CFEDHM C[C@@H]1COCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904191491 621546405 /nfs/dbraw/zinc/54/64/05/621546405.db2.gz ZYELPHIENZSJTR-ZYHUDNBSSA-N -1 3 283.755 2.730 20 30 CFEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccnn1C ZINC000904192922 621546808 /nfs/dbraw/zinc/54/68/08/621546808.db2.gz FELFZENSZNKBNB-SNVBAGLBSA-N -1 3 293.754 2.595 20 30 CFEDHM CC[C@@](C)(C#N)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193268 621546891 /nfs/dbraw/zinc/54/68/91/621546891.db2.gz MVYJHLOGSCCVND-ZDUSSCGKSA-N -1 3 266.728 2.998 20 30 CFEDHM O=C(CCc1cn[nH]c1)N([O-])CCCCc1ccccc1 ZINC000904196454 621547809 /nfs/dbraw/zinc/54/78/09/621547809.db2.gz VKXBHUQPBIYKMO-UHFFFAOYSA-N -1 3 287.363 2.583 20 30 CFEDHM O=C([C@H]1CCCCO1)N([O-])CCCCc1ccccc1 ZINC000904196661 621547891 /nfs/dbraw/zinc/54/78/91/621547891.db2.gz BOSNLKIPXZIYLM-OAHLLOKOSA-N -1 3 277.364 2.796 20 30 CFEDHM C=C[C@H](C)ONC(=O)N([O-])Cc1ccccc1Cl ZINC000904196197 621547898 /nfs/dbraw/zinc/54/78/98/621547898.db2.gz PJAXXMCJEMTTKD-VIFPVBQESA-N -1 3 270.716 2.747 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000904204069 621549981 /nfs/dbraw/zinc/54/99/81/621549981.db2.gz DDKDOCZQRYXJFG-CYBMUJFWSA-N -1 3 278.352 2.804 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000904204224 621550519 /nfs/dbraw/zinc/55/05/19/621550519.db2.gz HRMULTGYRUHGDK-AWEZNQCLSA-N -1 3 281.352 2.878 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000904205045 621550671 /nfs/dbraw/zinc/55/06/71/621550671.db2.gz YPBZLRWKPPPSGK-RYUDHWBXSA-N -1 3 255.358 2.790 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)c1cccs1 ZINC000904205376 621550974 /nfs/dbraw/zinc/55/09/74/621550974.db2.gz KCXWQKGRRTUPPC-NSHDSACASA-N -1 3 298.408 2.665 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC000904205590 621551122 /nfs/dbraw/zinc/55/11/22/621551122.db2.gz OAWIAKDPLHYBNT-CYBMUJFWSA-N -1 3 298.427 2.822 20 30 CFEDHM CCCCN([O-])C(=O)c1sc([C@@H]2CCOC2)nc1C ZINC000904216187 621551530 /nfs/dbraw/zinc/55/15/30/621551530.db2.gz ZLCVWHCUVOYZCG-SNVBAGLBSA-N -1 3 284.381 2.587 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000904215669 621551691 /nfs/dbraw/zinc/55/16/91/621551691.db2.gz JDCJJHXIEKNRKU-GFCCVEGCSA-N -1 3 255.358 2.744 20 30 CFEDHM CCCCN([O-])C(=O)Cc1c[nH]c2cccc(OC)c12 ZINC000904211762 621553707 /nfs/dbraw/zinc/55/37/07/621553707.db2.gz DFYMKNJMBCRQNV-UHFFFAOYSA-N -1 3 276.336 2.737 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H](C)c1c(C)noc1C ZINC000904212669 621553987 /nfs/dbraw/zinc/55/39/87/621553987.db2.gz RAWSHFQRSZHERJ-VIFPVBQESA-N -1 3 254.330 2.803 20 30 CFEDHM CCCCN([O-])C(=O)c1cccc(C(F)(F)F)n1 ZINC000904213473 621554387 /nfs/dbraw/zinc/55/43/87/621554387.db2.gz QIZKQDLRRYNURR-UHFFFAOYSA-N -1 3 262.231 2.732 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000904214758 621554803 /nfs/dbraw/zinc/55/48/03/621554803.db2.gz MDQSULHQUGNAAP-HUUCEWRRSA-N -1 3 277.364 2.825 20 30 CFEDHM COCCCON=C(C)c1ccc([O-])cc1Cl ZINC000905467567 621780891 /nfs/dbraw/zinc/78/08/91/621780891.db2.gz HDVPIMAMHMHGCR-UHFFFAOYSA-N -1 3 257.717 2.823 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)Cc1c(C)cc(C#N)cc1C ZINC000908353566 622219546 /nfs/dbraw/zinc/21/95/46/622219546.db2.gz YJAWQOYLIQITPA-LLVKDONJSA-N -1 3 274.364 2.812 20 30 CFEDHM C#CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000076763545 623139989 /nfs/dbraw/zinc/13/99/89/623139989.db2.gz AECFSISXEDWGJC-AWEZNQCLSA-N -1 3 296.351 2.954 20 30 CFEDHM C#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000173788314 623368424 /nfs/dbraw/zinc/36/84/24/623368424.db2.gz UFSFDRVBEXTDBZ-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC000824034190 623437773 /nfs/dbraw/zinc/43/77/73/623437773.db2.gz YRBDBFHQFWFUHD-OLZOCXBDSA-N -1 3 277.364 2.886 20 30 CFEDHM C[C@H](SCC1(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757675 623558582 /nfs/dbraw/zinc/55/85/82/623558582.db2.gz ZZIFQPJNUYDRLR-JTQLQIEISA-N -1 3 285.376 2.965 20 30 CFEDHM C[C@H](SCC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757675 623558588 /nfs/dbraw/zinc/55/85/88/623558588.db2.gz ZZIFQPJNUYDRLR-JTQLQIEISA-N -1 3 285.376 2.965 20 30 CFEDHM CCCC(CC)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000825233451 623655299 /nfs/dbraw/zinc/65/52/99/623655299.db2.gz PRYRVXJGHRENOQ-UHFFFAOYSA-N -1 3 258.329 2.845 20 30 CFEDHM CCCC(CC)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000825233451 623655303 /nfs/dbraw/zinc/65/53/03/623655303.db2.gz PRYRVXJGHRENOQ-UHFFFAOYSA-N -1 3 258.329 2.845 20 30 CFEDHM C[C@@H]1CCC(=NN=c2cc[n-]n2C)c2sccc21 ZINC000834968831 623912593 /nfs/dbraw/zinc/91/25/93/623912593.db2.gz IFNURFYMORAZMB-SECBINFHSA-N -1 3 260.366 2.617 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCC2CCCCC2)c1[O-] ZINC000914702219 623923035 /nfs/dbraw/zinc/92/30/35/623923035.db2.gz ZYVFLNYLTPHJME-LICLKQGHSA-N -1 3 276.380 2.977 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCCOC1 ZINC000193680160 624084272 /nfs/dbraw/zinc/08/42/72/624084272.db2.gz IZYWEVAPUCNOTQ-XBLUXWHVSA-N -1 3 253.729 2.891 20 30 CFEDHM COc1cc(C=NNCC(C)C)cc(Cl)c1[O-] ZINC000916365864 624241980 /nfs/dbraw/zinc/24/19/80/624241980.db2.gz MANAXJVKXBTKKP-UHFFFAOYSA-N -1 3 256.733 2.634 20 30 CFEDHM C#CCCCCNC(=O)c1cc(SC)ccc1[O-] ZINC000830035519 624607612 /nfs/dbraw/zinc/60/76/12/624607612.db2.gz MFPGWJFSKXRWKE-UHFFFAOYSA-N -1 3 263.362 2.647 20 30 CFEDHM C=CCC1(C(=O)[N-]OC[C@@H]2CCOC2)CCCCC1 ZINC000830180832 624658964 /nfs/dbraw/zinc/65/89/64/624658964.db2.gz CXZODOXHMRKWQI-CYBMUJFWSA-N -1 3 267.369 2.597 20 30 CFEDHM C[C@H](NN=Cc1c(F)ccc([O-])c1F)C(F)(F)F ZINC000834997979 625948233 /nfs/dbraw/zinc/94/82/33/625948233.db2.gz OHSILJUNSWIZMW-YFKPBYRVSA-N -1 3 268.185 2.545 20 30 CFEDHM C#Cc1cccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000838818508 626507890 /nfs/dbraw/zinc/50/78/90/626507890.db2.gz XHCYVMKVVNNTDX-UHFFFAOYSA-N -1 3 279.343 2.677 20 30 CFEDHM C#CCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000839034756 626521567 /nfs/dbraw/zinc/52/15/67/626521567.db2.gz BFFDMFZINYWJCX-SNVBAGLBSA-N -1 3 272.304 2.937 20 30 CFEDHM C#CCC[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000839034756 626521568 /nfs/dbraw/zinc/52/15/68/626521568.db2.gz BFFDMFZINYWJCX-SNVBAGLBSA-N -1 3 272.304 2.937 20 30 CFEDHM CCO[C@@H]1COCC[C@@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000758816497 626610009 /nfs/dbraw/zinc/61/00/09/626610009.db2.gz SDXQQQUFHBKKFV-PUCAEZMQSA-N -1 3 283.755 2.659 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCc2ccccc2C#N)n1 ZINC000763210064 626971004 /nfs/dbraw/zinc/97/10/04/626971004.db2.gz UTQZHFXEWRCJKY-UHFFFAOYSA-N -1 3 271.345 2.796 20 30 CFEDHM Cc1cccc(C)c1CC/N=C/c1c([O-])c(C)ncc1CO ZINC000764413870 627058489 /nfs/dbraw/zinc/05/84/89/627058489.db2.gz MNPZBFGEELQTHV-VXLYETTFSA-N -1 3 298.386 2.866 20 30 CFEDHM CCC(N=Nc1oc(C)nc1C#N)c1ccc([O-])c(F)c1 ZINC000764680998 627083780 /nfs/dbraw/zinc/08/37/80/627083780.db2.gz FZCRUGRIJJFIFT-UHFFFAOYSA-N -1 3 288.282 2.926 20 30 CFEDHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C#N)ccn1 ZINC000766956972 627228688 /nfs/dbraw/zinc/22/86/88/627228688.db2.gz JZALOXQWALNVLT-UHFFFAOYSA-N -1 3 296.208 2.521 20 30 CFEDHM O=C1c2ccccc2CCN1N=Cc1ccc([O-])c(F)c1 ZINC000769593129 627458910 /nfs/dbraw/zinc/45/89/10/627458910.db2.gz NKSCBOYEYXVZED-UHFFFAOYSA-N -1 3 284.290 2.564 20 30 CFEDHM COc1cccc(N=Cc2ccc(O)c([O-])c2O)c1F ZINC000769718127 627469525 /nfs/dbraw/zinc/46/95/25/627469525.db2.gz HEYYRLUQQXTYJG-UHFFFAOYSA-N -1 3 277.251 2.702 20 30 CFEDHM COc1cccc(N=NC(C)c2sccc2[O-])n1 ZINC000769799617 627475816 /nfs/dbraw/zinc/47/58/16/627475816.db2.gz YHWLJRSMMHSTTM-UHFFFAOYSA-N -1 3 263.322 2.693 20 30 CFEDHM COc1cccc(NN=C(C)c2sccc2[O-])n1 ZINC000769799617 627475819 /nfs/dbraw/zinc/47/58/19/627475819.db2.gz YHWLJRSMMHSTTM-UHFFFAOYSA-N -1 3 263.322 2.693 20 30 CFEDHM N#Cc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c(F)c1 ZINC000772797353 627746444 /nfs/dbraw/zinc/74/64/44/627746444.db2.gz PFNZVJVZEXUUGH-ZSOIEALJSA-N -1 3 292.269 2.508 20 30 CFEDHM Cc1cccc(OCCOC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776273577 628124986 /nfs/dbraw/zinc/12/49/86/628124986.db2.gz IROXZNAQYNNOCZ-UHFFFAOYSA-N -1 3 297.310 2.808 20 30 CFEDHM N#Cc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC000777957001 628266958 /nfs/dbraw/zinc/26/69/58/628266958.db2.gz CFGKGMYIGDETGE-UHFFFAOYSA-N -1 3 272.348 2.871 20 30 CFEDHM COc1ccc(NN=C(C)c2ccc([O-])cc2F)nc1 ZINC000780276667 628449561 /nfs/dbraw/zinc/44/95/61/628449561.db2.gz PJVMUYYGEJJXMY-UHFFFAOYSA-N -1 3 275.283 2.771 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cncnc1 ZINC000781107012 628522344 /nfs/dbraw/zinc/52/23/44/628522344.db2.gz OJTMVDGVOQNGIF-OPWUTIMJSA-N -1 3 270.263 2.705 20 30 CFEDHM C#CCN(CC#C)Cc1cc(C)cc(Br)c1[O-] ZINC000781914735 628590819 /nfs/dbraw/zinc/59/08/19/628590819.db2.gz ZETNJWKPMKPJPS-UHFFFAOYSA-N -1 3 292.176 2.532 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@H]1CCOC1 ZINC000783686068 628734651 /nfs/dbraw/zinc/73/46/51/628734651.db2.gz VZNMBWXNMPVVBQ-SOOGHKCXSA-N -1 3 253.729 2.891 20 30 CFEDHM CO[C@H]1Cc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2C1 ZINC000783682742 628734824 /nfs/dbraw/zinc/73/48/24/628734824.db2.gz YZSRJURTHKPOSP-AWEZNQCLSA-N -1 3 299.326 2.668 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cnccc2C)nc(C)n1 ZINC000784834987 628844281 /nfs/dbraw/zinc/84/42/81/628844281.db2.gz WXJXRSAPBNGKCA-MBVDDHJVSA-N -1 3 292.342 2.687 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000787681670 629025660 /nfs/dbraw/zinc/02/56/60/629025660.db2.gz QJITVRVIQNQKQJ-NSHDSACASA-N -1 3 283.331 2.516 20 30 CFEDHM N#CC1(COC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000787844834 629038908 /nfs/dbraw/zinc/03/89/08/629038908.db2.gz PFWHMIJFASHQLW-UHFFFAOYSA-N -1 3 277.295 2.701 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2ccccc2SCC#N)n1 ZINC000790073313 629208779 /nfs/dbraw/zinc/20/87/79/629208779.db2.gz QQRQOXNFSMOSDM-UHFFFAOYSA-N -1 3 299.355 2.964 20 30 CFEDHM C=CCNN=C(C)c1ccc(Br)cc1[O-] ZINC000794993800 629718947 /nfs/dbraw/zinc/71/89/47/629718947.db2.gz HXGJMNYCIBTGCV-UHFFFAOYSA-N -1 3 269.142 2.654 20 30 CFEDHM COCCCON=Cc1cc(Cl)cc(C)c1[O-] ZINC000795049023 629729448 /nfs/dbraw/zinc/72/94/48/629729448.db2.gz VTNSICNEQZGMKQ-UHFFFAOYSA-N -1 3 257.717 2.741 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C)cn1 ZINC000800793828 630404579 /nfs/dbraw/zinc/40/45/79/630404579.db2.gz WGAUVOVMONIWAI-VUMIPSPVSA-N -1 3 272.279 2.648 20 30 CFEDHM CCCC1N=NC(=S)N1N=Cc1cc(Cl)ccc1[O-] ZINC000808007900 630941045 /nfs/dbraw/zinc/94/10/45/630941045.db2.gz MOSUQTSNTDYZKS-UHFFFAOYSA-N -1 3 296.783 2.761 20 30 CFEDHM C=CCO[N-]C(=O)CCCc1cc(F)ccc1F ZINC000837046148 630944361 /nfs/dbraw/zinc/94/43/61/630944361.db2.gz DWVTUSMJAUUBKH-UHFFFAOYSA-N -1 3 255.264 2.521 20 30 CFEDHM Cc1csc([N-]C(=O)c2ccnc(F)c2F)c1C#N ZINC000809002560 631065540 /nfs/dbraw/zinc/06/55/40/631065540.db2.gz BEKMZRWEWNCQDF-UHFFFAOYSA-N -1 3 279.271 2.854 20 30 CFEDHM N#CCCCC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837737834 631119730 /nfs/dbraw/zinc/11/97/30/631119730.db2.gz GCPIFKYHLRAPBG-UHFFFAOYSA-N -1 3 297.314 2.586 20 30 CFEDHM CO[C@H](C/N=C/c1cc(Br)ccc1[O-])C1CC1 ZINC000840705952 631174981 /nfs/dbraw/zinc/17/49/81/631174981.db2.gz JFFFCMGTKRVHDU-BKNIFWKGSA-N -1 3 298.180 2.999 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N)cc1[O-] ZINC000852897674 634856882 /nfs/dbraw/zinc/85/68/82/634856882.db2.gz FCJXSXJJLBOEKF-RISCZKNCSA-N -1 3 274.364 2.839 20 30 CFEDHM Cc1cc([O-])c(C=NOC[C@@H]2CCOC2)c(Cl)c1 ZINC000841637821 631440606 /nfs/dbraw/zinc/44/06/06/631440606.db2.gz KWRGEWFSCAYLBU-SNVBAGLBSA-N -1 3 269.728 2.741 20 30 CFEDHM CN(C)c1cccc(COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811187553 631532420 /nfs/dbraw/zinc/53/24/20/631532420.db2.gz SSUOTVKYGKNIRO-UHFFFAOYSA-N -1 3 296.326 2.687 20 30 CFEDHM COC[C@H](C#N)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394714 631559189 /nfs/dbraw/zinc/55/91/89/631559189.db2.gz YQMNIVIWNOBHKC-ZETCQYMHSA-N -1 3 284.724 2.578 20 30 CFEDHM Cc1nnc(C)n1N=Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000811634596 631589683 /nfs/dbraw/zinc/58/96/83/631589683.db2.gz VDTWVALHULEGFN-UHFFFAOYSA-N -1 3 284.241 2.502 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNC[C@@H]1CCSC1 ZINC000811661873 631599873 /nfs/dbraw/zinc/59/98/73/631599873.db2.gz VRSHFQCAASPNFO-VIFPVBQESA-N -1 3 270.785 2.722 20 30 CFEDHM N#CC(=C([O-])C=CC1CCCC1)c1nnc2n1CCCCC2 ZINC000842691247 631708321 /nfs/dbraw/zinc/70/83/21/631708321.db2.gz QMBAQYYYZMFONL-ATWMFIQVSA-N -1 3 298.390 2.927 20 30 CFEDHM N#CC(=C([O-])C=CC1CCCC1)c1nnc2n1CCCCC2 ZINC000842691250 631708491 /nfs/dbraw/zinc/70/84/91/631708491.db2.gz QMBAQYYYZMFONL-HBWSCVEGSA-N -1 3 298.390 2.927 20 30 CFEDHM C#C[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(F)cc1 ZINC000812753742 631767690 /nfs/dbraw/zinc/76/76/90/631767690.db2.gz CFVSAFPAHPFZKR-HNNXBMFYSA-N -1 3 283.302 2.944 20 30 CFEDHM C#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000812754342 631768607 /nfs/dbraw/zinc/76/86/07/631768607.db2.gz NVVKWQZPJMMCAX-CQSZACIVSA-N -1 3 269.275 2.636 20 30 CFEDHM CC(=O)c1cc(F)cc(CN(C)CC(C)(C)C#N)c1[O-] ZINC000814667825 632104672 /nfs/dbraw/zinc/10/46/72/632104672.db2.gz XFNCLKGSTQTKTM-UHFFFAOYSA-N -1 3 278.327 2.715 20 30 CFEDHM Cc1ccccc1[C@@H]1C[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000844269365 632149624 /nfs/dbraw/zinc/14/96/24/632149624.db2.gz CAEQQGMCYITMKO-BJNITMJKSA-N -1 3 296.370 2.871 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2CC(C)(C)C)c1[O-] ZINC000844272852 632150953 /nfs/dbraw/zinc/15/09/53/632150953.db2.gz YULSQZQRMRPPCC-LMXWAAMESA-N -1 3 276.380 2.832 20 30 CFEDHM [O-]c1c(C=NN[C@H]2CCSC2)ccc2ccccc21 ZINC000814933292 632171229 /nfs/dbraw/zinc/17/12/29/632171229.db2.gz KQVUUKZVROWJJU-ZDUSSCGKSA-N -1 3 272.373 2.974 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C2CC2)cs1 ZINC000844492386 632230738 /nfs/dbraw/zinc/23/07/38/632230738.db2.gz VVUBVBXSNBOTDY-SSDOTTSWSA-N -1 3 253.327 2.648 20 30 CFEDHM C=C[C@@H](C)ON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000844624978 632267892 /nfs/dbraw/zinc/26/78/92/632267892.db2.gz PFBFTMDCJJIJGN-MRVPVSSYSA-N -1 3 255.701 2.979 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC2(C)C ZINC000844709409 632287152 /nfs/dbraw/zinc/28/71/52/632287152.db2.gz FVIVHPFXZHBJDJ-MRVPVSSYSA-N -1 3 281.381 2.995 20 30 CFEDHM CCCCCCCCCS(=O)(=O)[N-]CC(F)F ZINC000844829292 632318662 /nfs/dbraw/zinc/31/86/62/632318662.db2.gz LDFUPBIEPFUBOE-UHFFFAOYSA-N -1 3 271.373 2.922 20 30 CFEDHM C=CCC[C@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C1CC1 ZINC000815991936 632349972 /nfs/dbraw/zinc/34/99/72/632349972.db2.gz QRACAGWYMQEMOS-ZDUSSCGKSA-N -1 3 277.320 2.703 20 30 CFEDHM C=CCC(C)(C)C(=O)[N-]OCc1ccccc1OC ZINC000816568825 632486860 /nfs/dbraw/zinc/48/68/60/632486860.db2.gz RBFSSDWFLFMJCO-UHFFFAOYSA-N -1 3 263.337 2.845 20 30 CFEDHM C#CCN(Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816570465 632487942 /nfs/dbraw/zinc/48/79/42/632487942.db2.gz VCZUEMMDFRLWLD-UHFFFAOYSA-N -1 3 253.704 2.782 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]C1(C(F)F)CCCC1 ZINC000816730184 632518523 /nfs/dbraw/zinc/51/85/23/632518523.db2.gz KYMSFESDOUWYKL-UHFFFAOYSA-N -1 3 253.239 2.892 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000846533718 632723531 /nfs/dbraw/zinc/72/35/31/632723531.db2.gz LPDPDOPSMPMTDN-LBPRGKRZSA-N -1 3 294.782 2.790 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1cncc2ccccc21 ZINC000846535689 632725498 /nfs/dbraw/zinc/72/54/98/632725498.db2.gz KHAFVVDDSVHHEI-UHFFFAOYSA-N -1 3 270.332 2.791 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1ccccc1SC ZINC000846535764 632725915 /nfs/dbraw/zinc/72/59/15/632725915.db2.gz LYTVMQMOQQIJSF-UHFFFAOYSA-N -1 3 251.351 2.575 20 30 CFEDHM C=C(C)CO[N-]C(=O)C(C)(C)Cc1ccccc1OC ZINC000846539571 632728316 /nfs/dbraw/zinc/72/83/16/632728316.db2.gz ZTXQLZSNCIACQM-UHFFFAOYSA-N -1 3 277.364 2.888 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000846539348 632728346 /nfs/dbraw/zinc/72/83/46/632728346.db2.gz UWNKYFDPTSUGMD-LBPRGKRZSA-N -1 3 261.321 2.567 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@H](C)Cc1ccccc1OC ZINC000846539162 632728875 /nfs/dbraw/zinc/72/88/75/632728875.db2.gz QGJJQSWVYIVSRW-CYBMUJFWSA-N -1 3 277.364 2.888 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000846543265 632732137 /nfs/dbraw/zinc/73/21/37/632732137.db2.gz MZBKPXBOSZLRIC-VIFPVBQESA-N -1 3 273.254 2.870 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000846545911 632734059 /nfs/dbraw/zinc/73/40/59/632734059.db2.gz JYEFZUASUWAABV-PEYYIBSZSA-N -1 3 257.333 2.513 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000846547470 632734966 /nfs/dbraw/zinc/73/49/66/632734966.db2.gz OOCNKPIEASHOMM-GOEBONIOSA-N -1 3 288.391 2.663 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(Cl)s1 ZINC000846547623 632736335 /nfs/dbraw/zinc/73/63/35/632736335.db2.gz BCFVTAWEZFFHCQ-MRVPVSSYSA-N -1 3 259.758 2.956 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000846552984 632740750 /nfs/dbraw/zinc/74/07/50/632740750.db2.gz UPWZQNWZEXCZIJ-NEPJUHHUSA-N -1 3 294.782 2.789 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000846552986 632740788 /nfs/dbraw/zinc/74/07/88/632740788.db2.gz UPWZQNWZEXCZIJ-RYUDHWBXSA-N -1 3 294.782 2.789 20 30 CFEDHM COCC1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000846756493 632787940 /nfs/dbraw/zinc/78/79/40/632787940.db2.gz IYCBGUTUHVZPRZ-CHHVJCJISA-N -1 3 253.729 2.891 20 30 CFEDHM CCCCCCCCCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000848137731 633208682 /nfs/dbraw/zinc/20/86/82/633208682.db2.gz ITZBWMUOHQGVIK-ZDUSSCGKSA-N -1 3 284.400 2.624 20 30 CFEDHM O=C([O-])c1ccccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848401657 633249350 /nfs/dbraw/zinc/24/93/50/633249350.db2.gz FDEKBTSTWAGXSK-OAHLLOKOSA-N -1 3 287.363 2.801 20 30 CFEDHM COc1c([O-])ccc(C=NN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000853382256 634988839 /nfs/dbraw/zinc/98/88/39/634988839.db2.gz WIKMPUVQEQZHJX-JTQLQIEISA-N -1 3 293.323 2.517 20 30 CFEDHM C=CCCO[N-]C(=O)CCSc1ccccc1 ZINC000856028532 635702181 /nfs/dbraw/zinc/70/21/81/635702181.db2.gz WAHLREFKAXZOQW-UHFFFAOYSA-N -1 3 251.351 2.793 20 30 CFEDHM C=CCCO[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000856032161 635707538 /nfs/dbraw/zinc/70/75/38/635707538.db2.gz IZFWATVTWIMOJN-UHFFFAOYSA-N -1 3 288.347 2.731 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccc(Br)cc1C ZINC000856034080 635708583 /nfs/dbraw/zinc/70/85/83/635708583.db2.gz GBHLJNVHZAGCGK-UHFFFAOYSA-N -1 3 298.180 2.924 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cccc(Cl)c1OCC ZINC000856033651 635709308 /nfs/dbraw/zinc/70/93/08/635709308.db2.gz MFGGIPXMVPRJFZ-UHFFFAOYSA-N -1 3 283.755 2.905 20 30 CFEDHM C(=N[N-]c1nc2cccnc2s1)c1cc2n(n1)CCCC2 ZINC000857218721 635949242 /nfs/dbraw/zinc/94/92/42/635949242.db2.gz UXRKVFUJWHDSKE-UHFFFAOYSA-N -1 3 298.375 2.670 20 30 CFEDHM CCCCCCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000859247811 636522355 /nfs/dbraw/zinc/52/23/55/636522355.db2.gz BNRUQXSINJLRFH-UHFFFAOYSA-N -1 3 274.386 2.540 20 30 CFEDHM C=CCN(C)Cc1c([O-])cccc1Br ZINC000862332860 637321967 /nfs/dbraw/zinc/32/19/67/637321967.db2.gz YXRHDGWOMUFDEM-UHFFFAOYSA-N -1 3 256.143 2.773 20 30 CFEDHM N#C[C@]1(F)CCN(Cc2c([O-])cccc2Br)C1 ZINC000862338821 637323859 /nfs/dbraw/zinc/32/38/59/637323859.db2.gz VMIIQXUMIRKXDE-GFCCVEGCSA-N -1 3 299.143 2.592 20 30 CFEDHM N#CC1(CNCc2c([O-])cccc2Br)CCC1 ZINC000862396265 637355310 /nfs/dbraw/zinc/35/53/10/637355310.db2.gz KARJCNWCHPEHAE-UHFFFAOYSA-N -1 3 295.180 2.938 20 30 CFEDHM C#CC[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000862574028 637439596 /nfs/dbraw/zinc/43/95/96/637439596.db2.gz HTSNSVVSYKFOIU-SNVBAGLBSA-N -1 3 297.276 2.896 20 30 CFEDHM C#CC[C@@H](CCOC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000863784762 637777436 /nfs/dbraw/zinc/77/74/36/637777436.db2.gz RPWJTWQTTYOECT-AWEZNQCLSA-N -1 3 289.375 2.674 20 30 CFEDHM CCCCCCCCC(=O)[N-]OC[C@H]1CCOC1 ZINC000189240541 650369111 /nfs/dbraw/zinc/36/91/11/650369111.db2.gz GFJQUHDVFDBZFY-ZDUSSCGKSA-N -1 3 257.374 2.821 20 30 CFEDHM Cc1ncc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)s1 ZINC000864347408 637947700 /nfs/dbraw/zinc/94/77/00/637947700.db2.gz QAGRSNONDGNPBU-BOCQLUCNSA-N -1 3 291.376 2.533 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(F)c(N(C)C)cc1F ZINC000864512742 638007222 /nfs/dbraw/zinc/00/72/22/638007222.db2.gz NJWCFHCDNLGTSZ-NSHDSACASA-N -1 3 298.333 2.540 20 30 CFEDHM COc1cc(C(=O)/C=C/c2cn(C3CC3)cn2)ccc1[O-] ZINC000865216875 638225407 /nfs/dbraw/zinc/22/54/07/638225407.db2.gz IWPXAVQAXMKRPA-XVNBXDOJSA-N -1 3 284.315 2.828 20 30 CFEDHM COc1ccncc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866365331 638805260 /nfs/dbraw/zinc/80/52/60/638805260.db2.gz VBXCXTTUFWZQBV-NSHDSACASA-N -1 3 283.331 2.518 20 30 CFEDHM C[C@]1(CC(=O)[N-]Oc2cccc(C#N)c2)CC1(Cl)Cl ZINC000870691078 639773827 /nfs/dbraw/zinc/77/38/27/639773827.db2.gz ZDIILBLMDCBTNV-LBPRGKRZSA-N -1 3 299.157 2.942 20 30 CFEDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCC[C@H]2C#N)c1[O-] ZINC000879307684 644215768 /nfs/dbraw/zinc/21/57/68/644215768.db2.gz AUKPOOIIVMQJFP-XHDPSFHLSA-N -1 3 290.338 2.858 20 30 CFEDHM C=CC(C)(C)CC(=O)[N-]OCc1ccccc1OC ZINC000879859800 644450033 /nfs/dbraw/zinc/45/00/33/644450033.db2.gz LVRSBYQVZDKGPW-UHFFFAOYSA-N -1 3 263.337 2.845 20 30 CFEDHM Cc1cc(F)c(C#N)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000880990994 644890121 /nfs/dbraw/zinc/89/01/21/644890121.db2.gz OPNWTRDHVRYINL-ZDUSSCGKSA-N -1 3 293.298 2.586 20 30 CFEDHM Cc1cc(F)c(C#N)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000880990994 644890123 /nfs/dbraw/zinc/89/01/23/644890123.db2.gz OPNWTRDHVRYINL-ZDUSSCGKSA-N -1 3 293.298 2.586 20 30 CFEDHM C=CCN(CC(=O)OCC)Cc1c([O-])cccc1Cl ZINC000130391821 645490675 /nfs/dbraw/zinc/49/06/75/645490675.db2.gz RYCKMPSPXSGRGY-UHFFFAOYSA-N -1 3 283.755 2.597 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885168227 646627515 /nfs/dbraw/zinc/62/75/15/646627515.db2.gz USENADLZQAYMMS-JTQLQIEISA-N -1 3 288.800 2.676 20 30 CFEDHM C=C(C)C(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928705957 648944614 /nfs/dbraw/zinc/94/46/14/648944614.db2.gz MXGDCTQXHAGBBX-UHFFFAOYSA-N -1 3 251.301 2.750 20 30 CFEDHM N#C[C@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000932153656 649552447 /nfs/dbraw/zinc/55/24/47/649552447.db2.gz AXMPYFRWNIUKHG-CYBMUJFWSA-N -1 3 294.358 2.585 20 30 CFEDHM Cc1c([O-])ccc2c(CN3CCC[C@H](C#N)C3)cc(=O)oc12 ZINC000932155850 649552619 /nfs/dbraw/zinc/55/26/19/649552619.db2.gz PDXHCADDXBOQEA-GFCCVEGCSA-N -1 3 298.342 2.543 20 30 CFEDHM N#CCCc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000932568417 649621151 /nfs/dbraw/zinc/62/11/51/649621151.db2.gz BLGPMJVRTXFLBA-AWEZNQCLSA-N -1 3 289.335 2.722 20 30 CFEDHM N#CCCc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000932568417 649621152 /nfs/dbraw/zinc/62/11/52/649621152.db2.gz BLGPMJVRTXFLBA-AWEZNQCLSA-N -1 3 289.335 2.722 20 30 CFEDHM Cc1cc([N-]c2noc3cccnc32)cnc1C#N ZINC001210201464 770232243 /nfs/dbraw/zinc/23/22/43/770232243.db2.gz SHWGBTAEKXIDTP-UHFFFAOYSA-N -1 3 251.249 2.542 20 30 CFEDHM N#C[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC001140547751 770874143 /nfs/dbraw/zinc/87/41/43/770874143.db2.gz MUMMMHXJHCMZPO-JTQLQIEISA-N -1 3 281.153 2.643 20 30 CFEDHM COCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000588595781 775248156 /nfs/dbraw/zinc/24/81/56/775248156.db2.gz KXAJIVHUFSBLSZ-UHFFFAOYSA-N -1 3 273.288 2.700 20 30 CFEDHM Cc1cc(=O)c(C#N)c(OCc2cccnc2OC(C)C)[n-]1 ZINC001225468998 775468744 /nfs/dbraw/zinc/46/87/44/775468744.db2.gz WQYQYWQXMSTJBY-UHFFFAOYSA-N -1 3 299.330 2.729 20 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AQKIITLJZAYKLR-JQWWKUHOSA-N -1 3 291.347 2.995 20 30 CFEDHM C#C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccncc1 ZINC001226119923 775706830 /nfs/dbraw/zinc/70/68/30/775706830.db2.gz PWDNXLVSYWTOBZ-CYBMUJFWSA-N -1 3 283.356 2.791 20 30 CFEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nccc(/C=N/[O-])n2)O1 ZINC001226256575 775757753 /nfs/dbraw/zinc/75/77/53/775757753.db2.gz UFHFDKWUELSCTM-ZFSZNTNNSA-N -1 3 291.351 2.566 20 30 CFEDHM C=C[C@@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(C)n2)C(C)(C)O1 ZINC001226512994 775854553 /nfs/dbraw/zinc/85/45/53/775854553.db2.gz XLKUIFCNMWODAL-ABAIWWIYSA-N -1 3 278.352 2.772 20 30 CFEDHM CC[C@@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(C)n1 ZINC001226511821 775854835 /nfs/dbraw/zinc/85/48/35/775854835.db2.gz KJXGPDFGGLCQGA-AWEZNQCLSA-N -1 3 268.316 2.700 20 30 CFEDHM C#CC[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531765 775862294 /nfs/dbraw/zinc/86/22/94/775862294.db2.gz HMUDXQOPBUJVLN-SNVBAGLBSA-N -1 3 258.273 2.598 20 30 CFEDHM CCOC(=O)[C@H]1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227349175 776181633 /nfs/dbraw/zinc/18/16/33/776181633.db2.gz FXFNOUJYIXLCFD-QWHCGFSZSA-N -1 3 289.331 2.765 20 30 CFEDHM C=C[C@@H](C)Oc1cccc([O-])c1I ZINC001227376916 776188037 /nfs/dbraw/zinc/18/80/37/776188037.db2.gz ZGBNLEJSNVHPOL-SSDOTTSWSA-N -1 3 290.100 2.950 20 30 CFEDHM O=C1C=C[C@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227590665 776236241 /nfs/dbraw/zinc/23/62/41/776236241.db2.gz JTINKRKEQQYLRM-QMMMGPOBSA-N -1 3 287.084 2.570 20 30 CFEDHM C#C[C@@H](C)Oc1c([O-])cc(Br)cc1F ZINC001227587375 776236826 /nfs/dbraw/zinc/23/68/26/776236826.db2.gz HHZKIQJDJHZBJN-ZCFIWIBFSA-N -1 3 259.074 2.694 20 30 CFEDHM C=CCC[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227695843 776261470 /nfs/dbraw/zinc/26/14/70/776261470.db2.gz QKGFQEOUEXURKV-VIFPVBQESA-N -1 3 276.296 2.990 20 30 CFEDHM C=CC[C@@H](C=C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743099 776275537 /nfs/dbraw/zinc/27/55/37/776275537.db2.gz JDQSLYPGYCJIBH-SNVBAGLBSA-N -1 3 259.265 2.981 20 30 CFEDHM C=CC[C@@H](C=C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743099 776275545 /nfs/dbraw/zinc/27/55/45/776275545.db2.gz JDQSLYPGYCJIBH-SNVBAGLBSA-N -1 3 259.265 2.981 20 30 CFEDHM COC(=O)c1ccc([O-])c(O[C@H](C)c2ccccc2C#N)n1 ZINC001227825731 776300752 /nfs/dbraw/zinc/30/07/52/776300752.db2.gz OKVGVFDYUUBPKC-SNVBAGLBSA-N -1 3 298.298 2.585 20 30 CFEDHM C#C[C@H](C)Oc1cc(-c2ccccc2)nc(=S)[n-]1 ZINC001228352112 776468907 /nfs/dbraw/zinc/46/89/07/776468907.db2.gz MYKGPFSWSKFSKN-JTQLQIEISA-N -1 3 256.330 2.833 20 30 CFEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@H](C#N)C1 ZINC001228631358 776545614 /nfs/dbraw/zinc/54/56/14/776545614.db2.gz WUCKVSHTXCYHRC-WDEREUQCSA-N -1 3 285.299 2.878 20 30 CFEDHM CCC#C[C@H](C)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228673971 776562372 /nfs/dbraw/zinc/56/23/72/776562372.db2.gz HXFIXOXAWLMBKG-JTQLQIEISA-N -1 3 273.292 2.960 20 30 CFEDHM CCC#C[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673971 776562379 /nfs/dbraw/zinc/56/23/79/776562379.db2.gz HXFIXOXAWLMBKG-JTQLQIEISA-N -1 3 273.292 2.960 20 30 CFEDHM N#CC[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228698973 776573927 /nfs/dbraw/zinc/57/39/27/776573927.db2.gz ALEMUEBHLFZJRS-AWEZNQCLSA-N -1 3 291.314 2.900 20 30 CFEDHM C=CC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)C(C)C ZINC001228699157 776574351 /nfs/dbraw/zinc/57/43/51/776574351.db2.gz WGBHWPGKBWCUDB-GFCCVEGCSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)C(C)C ZINC001228699157 776574357 /nfs/dbraw/zinc/57/43/57/776574357.db2.gz WGBHWPGKBWCUDB-GFCCVEGCSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)C(C)C ZINC001228699157 776574365 /nfs/dbraw/zinc/57/43/65/776574365.db2.gz WGBHWPGKBWCUDB-GFCCVEGCSA-N -1 3 258.325 2.846 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697786 776574991 /nfs/dbraw/zinc/57/49/91/776574991.db2.gz LUIXZOKFYDGSTL-SECBINFHSA-N -1 3 278.381 2.733 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697786 776574996 /nfs/dbraw/zinc/57/49/96/776574996.db2.gz LUIXZOKFYDGSTL-SECBINFHSA-N -1 3 278.381 2.733 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697786 776574999 /nfs/dbraw/zinc/57/49/99/776574999.db2.gz LUIXZOKFYDGSTL-SECBINFHSA-N -1 3 278.381 2.733 20 30 CFEDHM C=C[C@H](CCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700722 776576569 /nfs/dbraw/zinc/57/65/69/776576569.db2.gz XLQSVNPGHWIEDN-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM Cc1nc(O[C@H](C#N)c2cccc(F)c2)c(C)c(=O)[n-]1 ZINC001229686595 776873417 /nfs/dbraw/zinc/87/34/17/776873417.db2.gz BTQUZHOEPFOSNB-GFCCVEGCSA-N -1 3 273.267 2.582 20 30 CFEDHM CCOC(=O)CC1CC(Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229736666 776883997 /nfs/dbraw/zinc/88/39/97/776883997.db2.gz GVNAKXZTWXYWBF-GZTJUZNOSA-N -1 3 291.347 2.995 20 30 CFEDHM C[C@H](CON)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934469 776920192 /nfs/dbraw/zinc/92/01/92/776920192.db2.gz AJGZWMPLMCQHKL-SGEFVQMOSA-N -1 3 286.331 2.800 20 30 CFEDHM N#C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC001229950478 776922712 /nfs/dbraw/zinc/92/27/12/776922712.db2.gz LFCGVVAMWYPTGU-CQSZACIVSA-N 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QPFPHXCSANESBR-LLVKDONJSA-N -1 3 280.755 2.932 20 30 CFEDHM N#C[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077887 777789563 /nfs/dbraw/zinc/78/95/63/777789563.db2.gz BLVXDYVWXWEWMA-JTQLQIEISA-N -1 3 266.291 2.796 20 30 CFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2occc2C)c1 ZINC000127134745 777878975 /nfs/dbraw/zinc/87/89/75/777878975.db2.gz AYVRHKKNUMBDPX-CYBMUJFWSA-N -1 3 298.298 2.558 20 30 CFEDHM COc1ccc(CN2CCC(C#N)CC2)c(Cl)c1[O-] ZINC001233397534 777937179 /nfs/dbraw/zinc/93/71/79/777937179.db2.gz DKFWXHCONYOOAC-UHFFFAOYSA-N -1 3 280.755 2.790 20 30 CFEDHM COc1ccc(CN2CCC[C@@H](C#N)C2)c(Cl)c1[O-] ZINC001233400252 777938586 /nfs/dbraw/zinc/93/85/86/777938586.db2.gz AWRDISQEWAGWEE-JTQLQIEISA-N -1 3 280.755 2.790 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H]1CCC(C)(C)O1 ZINC001233798907 778079903 /nfs/dbraw/zinc/07/99/03/778079903.db2.gz CZHLSRQQSPJJOI-RGZVIEDOSA-N -1 3 279.336 2.840 20 30 CFEDHM C#C[C@H](CC(C)C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801541 778080992 /nfs/dbraw/zinc/08/09/92/778080992.db2.gz BBVSQYFZVYBKTD-BVTUPMQUSA-N -1 3 261.321 2.930 20 30 CFEDHM COC(=O)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001204695080 778165978 /nfs/dbraw/zinc/16/59/78/778165978.db2.gz YDSSLIDNYXCQGB-FXBHHXAOSA-N -1 3 299.326 2.796 20 30 CFEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ncccc1F ZINC001234144535 778174846 /nfs/dbraw/zinc/17/48/46/778174846.db2.gz PNVPSIVCZYLJHE-SECBINFHSA-N -1 3 258.252 2.938 20 30 CFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccncc1 ZINC001234511331 778240964 /nfs/dbraw/zinc/24/09/64/778240964.db2.gz NHSNDIGRFNLFOA-SNVBAGLBSA-N -1 3 292.298 2.742 20 30 CFEDHM C#C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C(C)C ZINC001234690869 778289369 /nfs/dbraw/zinc/28/93/69/778289369.db2.gz GTYVKRCCINOJJH-ZDUSSCGKSA-N -1 3 268.316 2.886 20 30 CFEDHM CC1(C#N)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527107 778401872 /nfs/dbraw/zinc/40/18/72/778401872.db2.gz KTJKCVAFVZGTNQ-UHFFFAOYSA-N -1 3 266.291 2.796 20 30 CFEDHM N#CCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436819485 778654968 /nfs/dbraw/zinc/65/49/68/778654968.db2.gz OBCUDZHXJCXFBZ-UHFFFAOYSA-N -1 3 294.354 2.821 20 30 CFEDHM [O-]/N=C/c1cccc(-c2cnn(Cc3ccccn3)c2)c1 ZINC001236433551 778826992 /nfs/dbraw/zinc/82/69/92/778826992.db2.gz UOOQLFLUBWYBJZ-DJKKODMXSA-N -1 3 278.315 2.802 20 30 CFEDHM N#Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC001236531672 778866570 /nfs/dbraw/zinc/86/65/70/778866570.db2.gz INWLEEJHJGPXAZ-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC001236531672 778866576 /nfs/dbraw/zinc/86/65/76/778866576.db2.gz INWLEEJHJGPXAZ-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)c([O-])cc1C ZINC001233590833 779057206 /nfs/dbraw/zinc/05/72/06/779057206.db2.gz AYWPFCOSGTZTLF-SSDOTTSWSA-N -1 3 268.696 2.952 20 30 CFEDHM CC[C@@H](C#CC(=O)OC)Oc1c(Cl)ccc([O-])c1F ZINC001234262738 779185362 /nfs/dbraw/zinc/18/53/62/779185362.db2.gz FTNTYMJYFLAZPQ-QMMMGPOBSA-N -1 3 286.686 2.519 20 30 CFEDHM N#CC1CCC(Oc2nc3c(cccc3[O-])[nH]2)CC1 ZINC001234448633 779229618 /nfs/dbraw/zinc/22/96/18/779229618.db2.gz XFRSALSQQSXKCT-UHFFFAOYSA-N -1 3 257.293 2.730 20 30 CFEDHM C#CC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236697086 779624423 /nfs/dbraw/zinc/62/44/23/779624423.db2.gz CBQLJMLKGSGIKL-UHFFFAOYSA-N -1 3 294.192 3.000 20 30 CFEDHM NC(=O)c1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001239763201 779754506 /nfs/dbraw/zinc/75/45/06/779754506.db2.gz HIZZPJJTIWMPQF-SDXDJHTJSA-N -1 3 266.300 2.577 20 30 CFEDHM N#Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1F ZINC001240149752 779971920 /nfs/dbraw/zinc/97/19/20/779971920.db2.gz FQWDLYIRTYULAW-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1F ZINC001240149752 779971929 /nfs/dbraw/zinc/97/19/29/779971929.db2.gz FQWDLYIRTYULAW-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM COC(=O)c1ccc(-c2cc(F)ccc2[O-])cc1C#N ZINC001240696486 780367759 /nfs/dbraw/zinc/36/77/59/780367759.db2.gz GQJQOIPFGPITCF-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM CC1(C)CC(=O)C=C(Nc2ccccc2-c2nnn[n-]2)C1 ZINC000095156843 780432187 /nfs/dbraw/zinc/43/21/87/780432187.db2.gz XEBQEIKCKGZCFG-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM CC1(C)CC(=O)C=C(Nc2ccccc2-c2nn[n-]n2)C1 ZINC000095156843 780432195 /nfs/dbraw/zinc/43/21/95/780432195.db2.gz XEBQEIKCKGZCFG-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM N#Cc1c[nH]c2ncc(-c3cc([O-])cc(F)c3)cc12 ZINC001241278238 780752425 /nfs/dbraw/zinc/75/24/25/780752425.db2.gz YQLSGVWINXNJEV-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM COc1cc(C#N)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001241408036 780854842 /nfs/dbraw/zinc/85/48/42/780854842.db2.gz DISWMOLKLBKCFD-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cc(C#N)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001241408036 780854847 /nfs/dbraw/zinc/85/48/47/780854847.db2.gz DISWMOLKLBKCFD-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM N#CCc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC001241445592 780897750 /nfs/dbraw/zinc/89/77/50/780897750.db2.gz PSUUDZXXVXLVMK-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001241445592 780897759 /nfs/dbraw/zinc/89/77/59/780897759.db2.gz PSUUDZXXVXLVMK-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM SCc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445695 780898363 /nfs/dbraw/zinc/89/83/63/780898363.db2.gz UMHONQNCTOYEGO-UHFFFAOYSA-N -1 3 268.345 2.964 20 30 CFEDHM SCc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445695 780898372 /nfs/dbraw/zinc/89/83/72/780898372.db2.gz UMHONQNCTOYEGO-UHFFFAOYSA-N -1 3 268.345 2.964 20 30 CFEDHM N#CCc1c(F)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241446758 780899539 /nfs/dbraw/zinc/89/95/39/780899539.db2.gz QDWQSYJVVUNGQJ-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1c(F)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241446758 780899549 /nfs/dbraw/zinc/89/95/49/780899549.db2.gz QDWQSYJVVUNGQJ-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000703699669 781049933 /nfs/dbraw/zinc/04/99/33/781049933.db2.gz LQJHKMUDNLLIRH-NSHDSACASA-N -1 3 261.321 2.526 20 30 CFEDHM C#Cc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241921966 781183480 /nfs/dbraw/zinc/18/34/80/781183480.db2.gz KIKGWNCKDUXJFU-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241921966 781183482 /nfs/dbraw/zinc/18/34/82/781183482.db2.gz KIKGWNCKDUXJFU-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM COc1ccc(-c2cccc(/C=N/[O-])c2)cc1CO ZINC001241931255 781188109 /nfs/dbraw/zinc/18/81/09/781188109.db2.gz RBXSHAAMQOIDDC-CXUHLZMHSA-N -1 3 257.289 2.663 20 30 CFEDHM CC[C@@H](CC#N)NCc1c([O-])cccc1Br ZINC000706847331 781205820 /nfs/dbraw/zinc/20/58/20/781205820.db2.gz WZDHJTUIPTVTCZ-VIFPVBQESA-N -1 3 283.169 2.937 20 30 CFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N(C)C(C)C)n1 ZINC001163619506 781524149 /nfs/dbraw/zinc/52/41/49/781524149.db2.gz SYUAVTXJUOPPBC-LFYBBSHMSA-N -1 3 274.777 2.505 20 30 CFEDHM COC(=O)c1nc2nc(-c3ccc(C#N)cc3C)ccc2[n-]1 ZINC001242474001 781529174 /nfs/dbraw/zinc/52/91/74/781529174.db2.gz HADUCNUKKDTKCD-UHFFFAOYSA-N -1 3 292.298 2.543 20 30 CFEDHM COC(=O)c1nc2ccc(-c3ccc(C#N)cc3C)nc2[n-]1 ZINC001242474001 781529178 /nfs/dbraw/zinc/52/91/78/781529178.db2.gz HADUCNUKKDTKCD-UHFFFAOYSA-N -1 3 292.298 2.543 20 30 CFEDHM COC(=O)c1nc2ccc(-c3ccc(C#N)cc3C)[n-]c-2n1 ZINC001242474001 781529182 /nfs/dbraw/zinc/52/91/82/781529182.db2.gz HADUCNUKKDTKCD-UHFFFAOYSA-N -1 3 292.298 2.543 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242474700 781529585 /nfs/dbraw/zinc/52/95/85/781529585.db2.gz RVSBYLGRQYUSKU-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242474700 781529587 /nfs/dbraw/zinc/52/95/87/781529587.db2.gz RVSBYLGRQYUSKU-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001242478464 781532751 /nfs/dbraw/zinc/53/27/51/781532751.db2.gz HSZNYNNJLUNQKA-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001242478464 781532756 /nfs/dbraw/zinc/53/27/56/781532756.db2.gz HSZNYNNJLUNQKA-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)cc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001242479874 781533583 /nfs/dbraw/zinc/53/35/83/781533583.db2.gz OHAIXQVZOBWNLD-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)cc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001242479874 781533584 /nfs/dbraw/zinc/53/35/84/781533584.db2.gz OHAIXQVZOBWNLD-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242542948 781581637 /nfs/dbraw/zinc/58/16/37/781581637.db2.gz UKTDMLOZPXSLQF-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242542948 781581644 /nfs/dbraw/zinc/58/16/44/781581644.db2.gz UKTDMLOZPXSLQF-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM C[C@H]1Oc2ccc(-c3ccc([O-])c(C#N)c3)cc2NC1=O ZINC001242564634 781603421 /nfs/dbraw/zinc/60/34/21/781603421.db2.gz KPEXZVNKJVWFRN-SECBINFHSA-N -1 3 280.283 2.650 20 30 CFEDHM N#Cc1cc(-c2ccc([C@H]3CCC(=O)N3)cc2)ccc1[O-] ZINC001242566288 781606123 /nfs/dbraw/zinc/60/61/23/781606123.db2.gz RHATWQJCCIRVQU-OAHLLOKOSA-N -1 3 278.311 2.882 20 30 CFEDHM Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(C#N)c1 ZINC001242593559 781624984 /nfs/dbraw/zinc/62/49/84/781624984.db2.gz UKHCRBVPWKWGAP-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(C#N)c1 ZINC001242593559 781624988 /nfs/dbraw/zinc/62/49/88/781624988.db2.gz UKHCRBVPWKWGAP-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM N#Cc1c[nH]c2nc(-c3cc([O-])ccc3F)ccc12 ZINC001242761391 781745580 /nfs/dbraw/zinc/74/55/80/781745580.db2.gz YRXUVKGSHLHQTH-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM N#Cc1cc2nc(-c3cc([O-])ccc3F)ccc2[nH]1 ZINC001242761575 781746767 /nfs/dbraw/zinc/74/67/67/781746767.db2.gz NKPHQNFKISNCMZ-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001242768792 781752184 /nfs/dbraw/zinc/75/21/84/781752184.db2.gz QCLBCYZTLOKAHI-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001242768792 781752187 /nfs/dbraw/zinc/75/21/87/781752187.db2.gz QCLBCYZTLOKAHI-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000594868406 349491510 /nfs/dbraw/zinc/49/15/10/349491510.db2.gz HTOQJENKGVWAKR-UHFFFAOYSA-N -1 3 296.417 2.787 20 30 CFEDHM Cc1ccc([O-])c(CNC(C)(C)c2cccc(C#N)c2)n1 ZINC000594966861 349533973 /nfs/dbraw/zinc/53/39/73/349533973.db2.gz BPHVERAILXCTFB-UHFFFAOYSA-N -1 3 281.359 2.992 20 30 CFEDHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1c(C)nn(C)c1C ZINC000329981364 529582282 /nfs/dbraw/zinc/58/22/82/529582282.db2.gz NCMGKMAOMIVZAL-VIFPVBQESA-N -1 3 294.380 2.655 20 30 CFEDHM CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126709962 187256518 /nfs/dbraw/zinc/25/65/18/187256518.db2.gz QFCHTGLUNMIVIJ-VIFPVBQESA-N -1 3 286.784 2.534 20 30 CFEDHM N#Cc1[n-]c(=NCCC[C@@H]2CCCC[C@H]2O)sc1Cl ZINC000596168244 349815434 /nfs/dbraw/zinc/81/54/34/349815434.db2.gz RYGCKUPINLNOBC-GXSJLCMTSA-N -1 3 299.827 2.833 20 30 CFEDHM C[C@@H](CCO)C1(CN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596184825 349820972 /nfs/dbraw/zinc/82/09/72/349820972.db2.gz KBWGKKDHKOOTLM-VIFPVBQESA-N -1 3 299.827 2.691 20 30 CFEDHM CN1CCCC(C)(C)[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596216721 349829310 /nfs/dbraw/zinc/82/93/10/349829310.db2.gz LCQAFMRNWMEILE-SNVBAGLBSA-N -1 3 298.843 2.622 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H](CO)CC2CCCC2)sc1Cl ZINC000596220203 349830918 /nfs/dbraw/zinc/83/09/18/349830918.db2.gz LEJGZSIMXJFNOX-JTQLQIEISA-N -1 3 299.827 2.691 20 30 CFEDHM C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)CC(F)F ZINC000596286970 349853716 /nfs/dbraw/zinc/85/37/16/349853716.db2.gz QUTDUYDYNTVEBI-RXMQYKEDSA-N -1 3 265.716 2.793 20 30 CFEDHM CC(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])cc2C#N)cn1 ZINC000341942329 534959628 /nfs/dbraw/zinc/95/96/28/534959628.db2.gz ZCXZDHOKBBOYSD-UHFFFAOYSA-N -1 3 286.295 2.557 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCCc2ccccc2)c1[O-] ZINC000005110652 346210266 /nfs/dbraw/zinc/21/02/66/346210266.db2.gz LYTCGAJQFGCCIR-WOJGMQOQSA-N -1 3 284.359 2.640 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000005110695 346210313 /nfs/dbraw/zinc/21/03/13/346210313.db2.gz WBQLJQFQLBCBQB-HWEXLZCJSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000005110698 346210544 /nfs/dbraw/zinc/21/05/44/346210544.db2.gz WBQLJQFQLBCBQB-GSAIQRRHSA-N -1 3 262.353 2.586 20 30 CFEDHM COc1ccc([O-])c(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000059095684 346655425 /nfs/dbraw/zinc/65/54/25/346655425.db2.gz PTEJZEDSVLHPRV-UHFFFAOYSA-N -1 3 282.299 2.549 20 30 CFEDHM COCCCn1ccc([N-]c2snc(Cl)c2C#N)n1 ZINC000092657111 347637566 /nfs/dbraw/zinc/63/75/66/347637566.db2.gz WQNHRJWBAYWADA-UHFFFAOYSA-N -1 3 297.771 2.645 20 30 CFEDHM N#Cc1c([N-]C(=O)c2ccc(Cl)o2)n[nH]c1C1CC1 ZINC000290760711 348353170 /nfs/dbraw/zinc/35/31/70/348353170.db2.gz ZVZVLFZDLAYDJZ-UHFFFAOYSA-N -1 3 276.683 2.657 20 30 CFEDHM Cc1cccc(NC(=O)c2cscc2C#N)c1[O-] ZINC000590317946 348893339 /nfs/dbraw/zinc/89/33/39/348893339.db2.gz JPVHIONGEMGGMK-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM N#CCc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000590559087 348909182 /nfs/dbraw/zinc/90/91/82/348909182.db2.gz YUMWVHBYVLBSGM-UHFFFAOYSA-N -1 3 292.298 2.587 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)CC3(C#N)CC3)[nH][n-]2)c1 ZINC000590665818 348925039 /nfs/dbraw/zinc/92/50/39/348925039.db2.gz QJWKGJZEXNLPIF-UHFFFAOYSA-N -1 3 294.358 2.748 20 30 CFEDHM Cc1nsc([N-]C(=O)N(C)c2c(C)noc2C)c1C#N ZINC000590966217 348973584 /nfs/dbraw/zinc/97/35/84/348973584.db2.gz YZYWSQLNKSDLCW-UHFFFAOYSA-N -1 3 291.336 2.596 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCC1 ZINC000593603836 349297539 /nfs/dbraw/zinc/29/75/39/349297539.db2.gz DEGNDALYQPGIEU-NSHDSACASA-N -1 3 298.433 2.867 20 30 CFEDHM CCC(C#N)=C([O-])N=c1cc(C)n(C2CCCCC2)[nH]1 ZINC000593715010 349314057 /nfs/dbraw/zinc/31/40/57/349314057.db2.gz FWIPFMFDAADOGK-LBPRGKRZSA-N -1 3 274.368 2.607 20 30 CFEDHM CCC[C@H](C#N)NC(=O)c1cc(SC)ccc1[O-] ZINC000597039551 350019860 /nfs/dbraw/zinc/01/98/60/350019860.db2.gz MHDFIZSSLBQANE-SECBINFHSA-N 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CFEDHM O=C(Cn1c(-c2ccccc2)cc2ccccc21)N[O-] ZINC000671997896 541410817 /nfs/dbraw/zinc/41/08/17/541410817.db2.gz QUUVAZUMWVDXRD-UHFFFAOYSA-N -1 3 266.300 2.814 20 30 CFEDHM C=CCCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000276121042 193219121 /nfs/dbraw/zinc/21/91/21/193219121.db2.gz BKDXLBZIQZVDDO-UHFFFAOYSA-N -1 3 259.349 2.919 20 30 CFEDHM N#Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000049842178 373321862 /nfs/dbraw/zinc/32/18/62/373321862.db2.gz VKVVIBNHWBCNGE-AWEZNQCLSA-N -1 3 272.348 2.635 20 30 CFEDHM Cc1ccc(NC(=O)c2sccc2C#N)c([O-])c1 ZINC000052147466 373439568 /nfs/dbraw/zinc/43/95/68/373439568.db2.gz ZXXPUINTYDMKOS-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(C)c2C#N)on1 ZINC000431689121 383690638 /nfs/dbraw/zinc/69/06/38/383690638.db2.gz APHYVMLQPQUOSN-UHFFFAOYSA-N -1 3 287.323 2.734 20 30 CFEDHM N#Cc1ccc(/C=C/C(=O)[N-]OC2CCCCC2)cc1 ZINC000492715968 246366810 /nfs/dbraw/zinc/36/68/10/246366810.db2.gz CQPXPHJLGIBYRG-ZHACJKMWSA-N -1 3 270.332 2.952 20 30 CFEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc(C#N)cn2C)n1 ZINC000083773407 374756915 /nfs/dbraw/zinc/75/69/15/374756915.db2.gz UNFTVBZMVYXDFS-LLVKDONJSA-N -1 3 298.371 2.967 20 30 CFEDHM C#CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000122176348 376922089 /nfs/dbraw/zinc/92/20/89/376922089.db2.gz RFWWHOCNSDGSTN-UHFFFAOYSA-N -1 3 290.338 2.619 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000122668457 376933913 /nfs/dbraw/zinc/93/39/13/376933913.db2.gz PQRLJWWIMOBHIS-UHFFFAOYSA-N -1 3 280.176 2.848 20 30 CFEDHM Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000131925357 377779718 /nfs/dbraw/zinc/77/97/18/377779718.db2.gz XRALSCWNVUQULH-LBPRGKRZSA-N -1 3 276.299 2.756 20 30 CFEDHM Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000131925143 377779955 /nfs/dbraw/zinc/77/99/55/377779955.db2.gz XRALSCWNVUQULH-GFCCVEGCSA-N -1 3 276.299 2.756 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000132041932 377796531 /nfs/dbraw/zinc/79/65/31/377796531.db2.gz WDONZQQBFDBXJQ-MWLCHTKSSA-N 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ZINC000342452989 381340171 /nfs/dbraw/zinc/34/01/71/381340171.db2.gz XYIAPTPKZZEKPJ-GFCCVEGCSA-N -1 3 282.328 2.589 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3cncn3c2)n1 ZINC000342452992 381340437 /nfs/dbraw/zinc/34/04/37/381340437.db2.gz XYIAPTPKZZEKPJ-LBPRGKRZSA-N -1 3 282.328 2.589 20 30 CFEDHM Cc1noc([N-]C(=O)[C@H](C)Oc2ccccc2C#N)c1C ZINC000359739022 381588586 /nfs/dbraw/zinc/58/85/86/381588586.db2.gz JZGBLTRGJOAGCK-NSHDSACASA-N -1 3 285.303 2.569 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2cccc(F)c2C#N)n1 ZINC000357072109 381997484 /nfs/dbraw/zinc/99/74/84/381997484.db2.gz KFMMZGMDVPGMPM-AATRIKPKSA-N -1 3 255.252 2.672 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1csc(=O)[n-]1 ZINC000349986432 382002351 /nfs/dbraw/zinc/00/23/51/382002351.db2.gz XNDMNURXFKUTNK-UHFFFAOYSA-N -1 3 254.355 2.667 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(-c2ccncc2)c1C ZINC000373368862 381989247 /nfs/dbraw/zinc/98/92/47/381989247.db2.gz IFJHGPXLINCOJA-NSHDSACASA-N -1 3 284.363 2.743 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000351583567 382046266 /nfs/dbraw/zinc/04/62/66/382046266.db2.gz UHDZXBMHPWUVPH-UHFFFAOYSA-N -1 3 275.320 2.599 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344227615 382214379 /nfs/dbraw/zinc/21/43/79/382214379.db2.gz ZKFVCAHNQCGVAL-UHFFFAOYSA-N -1 3 291.263 2.919 20 30 CFEDHM C=CCC(C)(C)CNC(=O)c1ccc([O-])c(OC)c1 ZINC000293744014 382261563 /nfs/dbraw/zinc/26/15/63/382261563.db2.gz JMOUQGQGTLDRMU-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM C=CC[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345922904 382322113 /nfs/dbraw/zinc/32/21/13/382322113.db2.gz FTGZPYIOVBGQMU-NSHDSACASA-N -1 3 265.328 2.935 20 30 CFEDHM CCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000345368637 382299577 /nfs/dbraw/zinc/29/95/77/382299577.db2.gz GMGBFJKZUSAOEQ-NSHDSACASA-N -1 3 293.330 2.647 20 30 CFEDHM CCc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)n[nH]1 ZINC000345368637 382299583 /nfs/dbraw/zinc/29/95/83/382299583.db2.gz GMGBFJKZUSAOEQ-NSHDSACASA-N -1 3 293.330 2.647 20 30 CFEDHM CCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000345368636 382300141 /nfs/dbraw/zinc/30/01/41/382300141.db2.gz GMGBFJKZUSAOEQ-LLVKDONJSA-N -1 3 293.330 2.647 20 30 CFEDHM CCc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)n[nH]1 ZINC000345368636 382300148 /nfs/dbraw/zinc/30/01/48/382300148.db2.gz GMGBFJKZUSAOEQ-LLVKDONJSA-N -1 3 293.330 2.647 20 30 CFEDHM CCn1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cn1 ZINC000345380602 382300855 /nfs/dbraw/zinc/30/08/55/382300855.db2.gz RRQJAXPUVGPFPS-GFCCVEGCSA-N -1 3 293.330 2.578 20 30 CFEDHM C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000308731097 382484881 /nfs/dbraw/zinc/48/48/81/382484881.db2.gz SXMPCNCMVAXYTL-GXFFZTMASA-N -1 3 298.433 2.867 20 30 CFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000680617202 542342400 /nfs/dbraw/zinc/34/24/00/542342400.db2.gz HZNADVMSTZNGRQ-CQSZACIVSA-N -1 3 281.315 2.754 20 30 CFEDHM N#Cc1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000353598844 382571584 /nfs/dbraw/zinc/57/15/84/382571584.db2.gz KFTJCOULARDYJQ-UHFFFAOYSA-N -1 3 290.282 2.861 20 30 CFEDHM COc1ccc([O-])c(C(=O)N2CCC(CCC#N)CC2)c1 ZINC000399380450 382638801 /nfs/dbraw/zinc/63/88/01/382638801.db2.gz ZLLBVKQIYSQMPO-UHFFFAOYSA-N -1 3 288.347 2.557 20 30 CFEDHM C#CCCCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193517332 382720664 /nfs/dbraw/zinc/72/06/64/382720664.db2.gz QBWAQLPMFWXBLI-UHFFFAOYSA-N -1 3 285.265 2.944 20 30 CFEDHM COc1ccc(NC(=O)/C=C\c2ccc(C#N)cc2)c([O-])c1 ZINC000493713573 382880764 /nfs/dbraw/zinc/88/07/64/382880764.db2.gz YFKCALWXYPHYDV-TWGQIWQCSA-N -1 3 294.310 2.924 20 30 CFEDHM CC1(C)COc2ccc(C([O-])=C(C#N)c3ccncn3)cc21 ZINC000565393990 383178865 /nfs/dbraw/zinc/17/88/65/383178865.db2.gz VNRRATOTVNLGEB-GFCCVEGCSA-N -1 3 293.326 2.637 20 30 CFEDHM COc1cnc([N-]C(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000339436677 383197536 /nfs/dbraw/zinc/19/75/36/383197536.db2.gz NDLVQQSVDGDOGU-UHFFFAOYSA-N -1 3 295.270 2.554 20 30 CFEDHM Cc1c2occ([O-])c2ccc1OCC1(C#N)CCC1 ZINC000634559642 383233794 /nfs/dbraw/zinc/23/37/94/383233794.db2.gz ABXBEXDXCWGSHR-UHFFFAOYSA-N -1 3 257.289 2.643 20 30 CFEDHM Cc1c2occ([O-])c2ccc1OCC1(CC#N)CC1 ZINC000634560163 383234334 /nfs/dbraw/zinc/23/43/34/383234334.db2.gz YFDORICTTHHZIN-UHFFFAOYSA-N -1 3 257.289 2.643 20 30 CFEDHM N#CC(=C([O-])c1cccc(C2CC2)c1)c1ccncn1 ZINC000568412528 383401070 /nfs/dbraw/zinc/40/10/70/383401070.db2.gz XLDGKMQLFWPWEF-CQSZACIVSA-N -1 3 263.300 2.844 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450424039 383404129 /nfs/dbraw/zinc/40/41/29/383404129.db2.gz JWCBZWLQJAXXHP-NSHDSACASA-N -1 3 265.328 2.935 20 30 CFEDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000525836648 383406200 /nfs/dbraw/zinc/40/62/00/383406200.db2.gz YEESEWGMYXDJKR-UHFFFAOYSA-N -1 3 298.383 2.658 20 30 CFEDHM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1ccccn1 ZINC000429682922 383557340 /nfs/dbraw/zinc/55/73/40/383557340.db2.gz HPTNXOZFPPCCIZ-SECBINFHSA-N -1 3 279.221 2.919 20 30 CFEDHM C#CCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000264958069 383807665 /nfs/dbraw/zinc/80/76/65/383807665.db2.gz NAKWVIGAPDJCOV-UHFFFAOYSA-N -1 3 292.187 2.603 20 30 CFEDHM CS[C@H]1CCC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000265264230 383879060 /nfs/dbraw/zinc/87/90/60/383879060.db2.gz BGKZQRVKNAWWEI-PUBDWJACSA-N -1 3 294.420 2.681 20 30 CFEDHM CCc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)c([O-])c1 ZINC000436837438 383897910 /nfs/dbraw/zinc/89/79/10/383897910.db2.gz OSMVKIUGPJISRC-NSHDSACASA-N -1 3 272.348 2.719 20 30 CFEDHM CC(C)CO[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000269691941 384837134 /nfs/dbraw/zinc/83/71/34/384837134.db2.gz NPUONWJBQGBQPP-UHFFFAOYSA-N -1 3 267.716 2.921 20 30 CFEDHM CCN(CCC#N)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000270912460 385268262 /nfs/dbraw/zinc/26/82/62/385268262.db2.gz QKGFQBNJDRMELS-UHFFFAOYSA-N -1 3 260.337 2.891 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000281678012 195333320 /nfs/dbraw/zinc/33/33/20/195333320.db2.gz YCORJQITECNKQE-SECBINFHSA-N -1 3 275.320 2.598 20 30 CFEDHM N#CCCN(Cc1ccccn1)Cc1ccccc1[O-] ZINC000179570477 393468340 /nfs/dbraw/zinc/46/83/40/393468340.db2.gz XEIMBOTZSAPZLS-UHFFFAOYSA-N -1 3 267.332 2.703 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)c([O-])c1O ZINC000179536118 393468494 /nfs/dbraw/zinc/46/84/94/393468494.db2.gz WKDVPPPZUCORPK-ZDUSSCGKSA-N -1 3 288.347 2.609 20 30 CFEDHM N#Cc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000083079576 393740584 /nfs/dbraw/zinc/74/05/84/393740584.db2.gz DHSCLKGXXOOVCV-SFHVURJKSA-N -1 3 257.314 2.572 20 30 CFEDHM Cc1ccc([O-])c(CN(CCC#N)CCC(C)C)n1 ZINC000093100810 393796075 /nfs/dbraw/zinc/79/60/75/393796075.db2.gz GXAPHKSFRBZRHH-UHFFFAOYSA-N -1 3 261.369 2.857 20 30 CFEDHM Cc1cccc(C(=O)NCc2ccc(C#N)cc2F)c1[O-] ZINC000109541726 393878957 /nfs/dbraw/zinc/87/89/57/393878957.db2.gz MJNJVIABYCCCBO-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM C[C@H]1CCN(C(=O)c2ccc(C#N)nc2)c2c([O-])cccc21 ZINC000345167171 393906210 /nfs/dbraw/zinc/90/62/10/393906210.db2.gz SPHYOUXBMHDYTD-NSHDSACASA-N -1 3 293.326 2.813 20 30 CFEDHM C[C@@H](CC#N)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345436547 393909074 /nfs/dbraw/zinc/90/90/74/393909074.db2.gz VWYHTUFSEGGZLE-NSHDSACASA-N -1 3 278.327 2.615 20 30 CFEDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000416550951 393926954 /nfs/dbraw/zinc/92/69/54/393926954.db2.gz RODVMXJCLZVBKD-JOYOIKCWSA-N -1 3 298.795 2.534 20 30 CFEDHM N#CCc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417045783 393947058 /nfs/dbraw/zinc/94/70/58/393947058.db2.gz VLLJPMOOIYQTRU-UHFFFAOYSA-N -1 3 280.331 2.738 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000122693034 393971766 /nfs/dbraw/zinc/97/17/66/393971766.db2.gz XXPCYXSCPGUVIC-UHFFFAOYSA-N -1 3 279.283 2.560 20 30 CFEDHM CC(C)(C)CC[C@@](C)(NCc1cccc(C#N)n1)C(=O)[O-] ZINC000417586982 393979947 /nfs/dbraw/zinc/97/99/47/393979947.db2.gz NGVWYZDUBLJJNS-MRXNPFEDSA-N -1 3 289.379 2.712 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(C)c1F ZINC000417610234 393982667 /nfs/dbraw/zinc/98/26/67/393982667.db2.gz MVSIYKBNIRANKW-LBPRGKRZSA-N -1 3 251.301 2.643 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000353149401 394024724 /nfs/dbraw/zinc/02/47/24/394024724.db2.gz MMVNMDVDPFEWFW-GFCCVEGCSA-N -1 3 298.795 2.845 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccccc1OC(C)C ZINC000417624593 393986099 /nfs/dbraw/zinc/98/60/99/393986099.db2.gz KNNODDYCVLQMHX-AWEZNQCLSA-N -1 3 277.364 2.983 20 30 CFEDHM C#C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000491630170 394054660 /nfs/dbraw/zinc/05/46/60/394054660.db2.gz OWEKNURHLWEMKX-SNVBAGLBSA-N -1 3 292.747 2.606 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCC(C)(C)CCC#N)c1 ZINC000360421448 394151051 /nfs/dbraw/zinc/15/10/51/394151051.db2.gz CVZFAWHPYWDCFG-UHFFFAOYSA-N -1 3 260.337 2.760 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OC)c(OCC)c1 ZINC000493128707 394158015 /nfs/dbraw/zinc/15/80/15/394158015.db2.gz UJRGZLQDJNJADK-CUZBXDDWSA-N -1 3 291.347 2.729 20 30 CFEDHM C=CCO[N-]C(=O)/C=C/c1ccc(OCCC)cc1 ZINC000493272218 394196896 /nfs/dbraw/zinc/19/68/96/394196896.db2.gz ZXYZCVCWEBUEKQ-JXMROGBWSA-N -1 3 261.321 2.722 20 30 CFEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000519744552 394377226 /nfs/dbraw/zinc/37/72/26/394377226.db2.gz LTMLTXKUOGEINB-JMCQJSRRSA-N -1 3 295.136 2.643 20 30 CFEDHM C[C@H](/N=C/c1ccccc1[O-])C(=O)OC1CCCC1 ZINC000175066304 394380460 /nfs/dbraw/zinc/38/04/60/394380460.db2.gz VLODDOYBHYEFJQ-YAFRSCOQSA-N -1 3 261.321 2.685 20 30 CFEDHM CCn1c2ccc(C#N)cc2nc1-c1ccc([O-])cn1 ZINC000536135094 394552699 /nfs/dbraw/zinc/55/26/99/394552699.db2.gz GSACLJXKSLLUCO-UHFFFAOYSA-N -1 3 264.288 2.695 20 30 CFEDHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000547387665 394864039 /nfs/dbraw/zinc/86/40/39/394864039.db2.gz WTYCLQLEMHQZIH-SNVBAGLBSA-N -1 3 296.367 2.554 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000556991423 395028551 /nfs/dbraw/zinc/02/85/51/395028551.db2.gz WOYSDQXUVNDLJU-UHFFFAOYSA-N -1 3 292.338 2.991 20 30 CFEDHM Cn1cccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647371786 395318013 /nfs/dbraw/zinc/31/80/13/395318013.db2.gz YUPCHNOJHPOYHQ-SNVBAGLBSA-N -1 3 271.345 2.849 20 30 CFEDHM N#Cc1csc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000348012155 154287756 /nfs/dbraw/zinc/28/77/56/154287756.db2.gz OAAPQGYAVGEWRO-UHFFFAOYSA-N -1 3 291.263 2.919 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000657077249 413304494 /nfs/dbraw/zinc/30/44/94/413304494.db2.gz MXJPGTKRHAEFDW-UHFFFAOYSA-N -1 3 297.273 2.699 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@H](OC)C1CCCCC1 ZINC000657251368 413364915 /nfs/dbraw/zinc/36/49/15/413364915.db2.gz CRMLRTRMZNJPKL-LBPRGKRZSA-N -1 3 297.424 2.857 20 30 CFEDHM COc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1C#N ZINC000350504915 163088377 /nfs/dbraw/zinc/08/83/77/163088377.db2.gz COHGSGJYAXRGDJ-HXUWFJFHSA-N -1 3 287.340 2.580 20 30 CFEDHM C=CCN(CC=C)CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000652367235 413911559 /nfs/dbraw/zinc/91/15/59/413911559.db2.gz ADFTYZWPUGRTJR-OAHLLOKOSA-N -1 3 259.349 2.919 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000660143761 414670517 /nfs/dbraw/zinc/67/05/17/414670517.db2.gz YAXXTUGVRVRKSX-UHFFFAOYSA-N -1 3 288.800 2.758 20 30 CFEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334680897 225247232 /nfs/dbraw/zinc/24/72/32/225247232.db2.gz JBMOXMOSURHBEQ-JVXZTZIISA-N -1 3 250.685 2.534 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000334653467 225257572 /nfs/dbraw/zinc/25/75/72/225257572.db2.gz KVVBKEVXCAQFHT-GFCCVEGCSA-N -1 3 286.422 2.663 20 30 CFEDHM COc1ccc(CO)cc1-c1ccccc1C=N[O-] ZINC001243175749 782036036 /nfs/dbraw/zinc/03/60/36/782036036.db2.gz SQXSPECRGKXKHP-UHFFFAOYSA-N -1 3 257.289 2.663 20 30 CFEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000516810900 260130505 /nfs/dbraw/zinc/13/05/05/260130505.db2.gz USPDJXPGOLPKHR-LBPRGKRZSA-N -1 3 280.331 2.659 20 30 CFEDHM N#CC1(C(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC000126727336 260784714 /nfs/dbraw/zinc/78/47/14/260784714.db2.gz VYTFPIBENMIRPV-UHFFFAOYSA-N -1 3 295.136 2.787 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000127695456 260803806 /nfs/dbraw/zinc/80/38/06/260803806.db2.gz WPYIAQLEONLHBG-VSSJFHQUSA-N -1 3 277.389 2.866 20 30 CFEDHM C#C[C@H](CCC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000490715277 261190453 /nfs/dbraw/zinc/19/04/53/261190453.db2.gz WFXOLQPCYWCPTP-SECBINFHSA-N -1 3 285.265 2.943 20 30 CFEDHM C=C(C)CON=C([O-])Nc1ccc(N(C)C(=O)OC)cc1 ZINC000497262416 262127143 /nfs/dbraw/zinc/12/71/43/262127143.db2.gz QCBQVAQMVKTCOV-UHFFFAOYSA-N -1 3 293.323 2.518 20 30 CFEDHM C=C(C)CO[N-]C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000497262416 262127146 /nfs/dbraw/zinc/12/71/46/262127146.db2.gz QCBQVAQMVKTCOV-UHFFFAOYSA-N -1 3 293.323 2.518 20 30 CFEDHM Cc1cc(S(=O)(=O)[N-]CCCCC#N)sc1Cl ZINC000188448927 262155972 /nfs/dbraw/zinc/15/59/72/262155972.db2.gz ADIRXPCZOMNEES-UHFFFAOYSA-N -1 3 292.813 2.682 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000116906206 262190017 /nfs/dbraw/zinc/19/00/17/262190017.db2.gz OOHDLPFJLFQBBN-QMMMGPOBSA-N -1 3 277.748 2.722 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-]c1cccnc1 ZINC000194789204 262242366 /nfs/dbraw/zinc/24/23/66/262242366.db2.gz VZWVVCPQWOATMC-UHFFFAOYSA-N -1 3 256.371 2.794 20 30 CFEDHM C[C@@H]1COCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000277380750 263040888 /nfs/dbraw/zinc/04/08/88/263040888.db2.gz NFADEQAQHPROPQ-WBCAIHNWSA-N -1 3 298.180 2.999 20 30 CFEDHM N#CCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000292014142 263127299 /nfs/dbraw/zinc/12/72/99/263127299.db2.gz YLGUXEKYKVSGCF-UHFFFAOYSA-N -1 3 286.253 2.947 20 30 CFEDHM N#CC1(NC(=O)c2cc([O-])ccc2Cl)CCSCC1 ZINC000293403312 263139922 /nfs/dbraw/zinc/13/99/22/263139922.db2.gz GXQSPZZSYYAJIG-UHFFFAOYSA-N -1 3 296.779 2.565 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@]1(C#N)CCc2ccccc2C1 ZINC000293482965 263141807 /nfs/dbraw/zinc/14/18/07/263141807.db2.gz LOTJMDSDEGKYRG-OAHLLOKOSA-N -1 3 290.313 2.765 20 30 CFEDHM N#C[C@@]1(C(=O)NCc2ccc([O-])c(F)c2)CC12CCCC2 ZINC000294797422 263167600 /nfs/dbraw/zinc/16/76/00/263167600.db2.gz BEGIUFNXXWBEBC-MRXNPFEDSA-N -1 3 288.322 2.622 20 30 CFEDHM COc1cccc(C(=O)NC(C)(C)C(C)(C)CO)c1[O-] ZINC000331236147 264174331 /nfs/dbraw/zinc/17/43/31/264174331.db2.gz MHPGJRZHABWVFZ-UHFFFAOYSA-N -1 3 281.352 2.503 20 30 CFEDHM COCC(C)(C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331247387 264179295 /nfs/dbraw/zinc/17/92/95/264179295.db2.gz VVJUJZIMCRAYJD-UHFFFAOYSA-N -1 3 293.363 2.835 20 30 CFEDHM C#CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000126591855 264215212 /nfs/dbraw/zinc/21/52/12/264215212.db2.gz NVCZJGVFWBGESG-UHFFFAOYSA-N -1 3 289.759 2.561 20 30 CFEDHM CCc1ccc(C(=O)N(CC)C[C@@H](C)C#N)c([O-])c1 ZINC000189810758 264327183 /nfs/dbraw/zinc/32/71/83/264327183.db2.gz AVJUNWUOCSBJQB-NSHDSACASA-N -1 3 260.337 2.576 20 30 CFEDHM C=C(C[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000344884320 265068385 /nfs/dbraw/zinc/06/83/85/265068385.db2.gz NVBNEZTWWGWMBV-UHFFFAOYSA-N -1 3 279.386 2.740 20 30 CFEDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531408473 266966415 /nfs/dbraw/zinc/96/64/15/266966415.db2.gz SUVMORBEVFCXKR-ZDUSSCGKSA-N -1 3 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CFEDHM CCc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736682850 574064915 /nfs/dbraw/zinc/06/49/15/574064915.db2.gz NICVRRXSHLCHMS-UHFFFAOYSA-N -1 3 298.375 2.937 20 30 CFEDHM CC(C)N1CC(N=Nc2ccccc2C(=O)[O-])[C@H](C)C1 ZINC000754258910 574084488 /nfs/dbraw/zinc/08/44/88/574084488.db2.gz ONFGHKAGLUVTKX-LLVKDONJSA-N -1 3 275.352 2.513 20 30 CFEDHM N#Cc1cc(F)ccc1COC(=O)c1ccc([O-])cc1 ZINC000728614022 574102541 /nfs/dbraw/zinc/10/25/41/574102541.db2.gz YBADQBLYEYPORJ-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM O=C(/C=C\c1cn(-c2ccccc2)nn1)c1cccc([O-])c1 ZINC000728696643 574104918 /nfs/dbraw/zinc/10/49/18/574104918.db2.gz YRYWUCMYZPNIFC-KTKRTIGZSA-N -1 3 291.310 2.869 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cccc([N+](=O)[O-])c2C)n1 ZINC000728780820 574108790 /nfs/dbraw/zinc/10/87/90/574108790.db2.gz ACGBHULHZBAULO-UHFFFAOYSA-N -1 3 286.291 2.758 20 30 CFEDHM CCCC(=O)Nc1ccc([O-])c(C(C)=NNCC(F)F)c1 ZINC000740617423 574127932 /nfs/dbraw/zinc/12/79/32/574127932.db2.gz IVOKIXLTBACQJZ-UHFFFAOYSA-N -1 3 299.321 2.710 20 30 CFEDHM [O-]c1ccccc1/C=N\Cc1cn(-c2ccccc2)nn1 ZINC000755031991 574133672 /nfs/dbraw/zinc/13/36/72/574133672.db2.gz PHSFUDDKUYSYON-YVLHZVERSA-N -1 3 278.315 2.592 20 30 CFEDHM CCC(CC)[C@H](O)C/N=C/c1c([O-])cccc1OC ZINC000731938094 574136023 /nfs/dbraw/zinc/13/60/23/574136023.db2.gz RAIZCMRWSFMSDQ-BRYYZUPOSA-N -1 3 265.353 2.617 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCc3ccccc32)c1[O-] ZINC000731938851 574136465 /nfs/dbraw/zinc/13/64/65/574136465.db2.gz WFZAAXHXRJNMNF-SAGYFLTASA-N -1 3 296.370 2.737 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)Cc1ccccc1C(=O)[O-] ZINC000737450869 574141926 /nfs/dbraw/zinc/14/19/26/574141926.db2.gz FVJRQKSXDJWXNZ-UHFFFAOYSA-N -1 3 280.327 2.888 20 30 CFEDHM CCCCCCCCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000755213221 574147156 /nfs/dbraw/zinc/14/71/56/574147156.db2.gz BIBLDYNWBMIRNJ-UHFFFAOYSA-N -1 3 293.411 2.818 20 30 CFEDHM CCn1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cn1 ZINC000732530836 574160468 /nfs/dbraw/zinc/16/04/68/574160468.db2.gz SZIKHPFBXLBDGS-XQRVVYSFSA-N -1 3 256.305 2.813 20 30 CFEDHM CN(CC/N=C/c1cc(Cl)ccc1[O-])CC(F)(F)F ZINC000732622617 574163114 /nfs/dbraw/zinc/16/31/14/574163114.db2.gz VODLSMUFVWYKRD-REZTVBANSA-N -1 3 294.704 2.959 20 30 CFEDHM COc1cccc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)c1 ZINC000732712482 574166714 /nfs/dbraw/zinc/16/67/14/574166714.db2.gz JKZVELILDCEVPS-UHFFFAOYSA-N -1 3 299.305 2.911 20 30 CFEDHM COc1ccc(COC(=O)c2cc([O-])cs2)cc1C#N ZINC000747054366 574177270 /nfs/dbraw/zinc/17/72/70/574177270.db2.gz KHTYNVOBEYGGTI-UHFFFAOYSA-N -1 3 289.312 2.691 20 30 CFEDHM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738773372 574183995 /nfs/dbraw/zinc/18/39/95/574183995.db2.gz VDRLJHXFOIMLQX-INIZCTEOSA-N -1 3 280.327 2.782 20 30 CFEDHM CCOc1ccc(/C=N/C[C@]2(C)CCOC2)c([O-])c1 ZINC000733081179 574187201 /nfs/dbraw/zinc/18/72/01/574187201.db2.gz QEGDAEOXIRKWSJ-WNLSXJKCSA-N -1 3 263.337 2.636 20 30 CFEDHM CCOc1ccc(/C=N\C[C@]2(C)CCOC2)c([O-])c1 ZINC000733081177 574187220 /nfs/dbraw/zinc/18/72/20/574187220.db2.gz QEGDAEOXIRKWSJ-HVVQPJKBSA-N -1 3 263.337 2.636 20 30 CFEDHM CC(=NO[C@@H]1CCCCO1)c1ccc([O-])cc1F ZINC000755820639 574190058 /nfs/dbraw/zinc/19/00/58/574190058.db2.gz XLFNTGZXTLRHJK-CYBMUJFWSA-N -1 3 253.273 2.799 20 30 CFEDHM N#Cc1ccc([C@H](NC/C=C\c2ccccc2)C(=O)[O-])cc1 ZINC000739108274 574198803 /nfs/dbraw/zinc/19/88/03/574198803.db2.gz UZVGUOMWPKOKTM-IMXKFXGHSA-N -1 3 292.338 2.987 20 30 CFEDHM CNC(=O)CCOc1ccc(N=Cc2ccccc2[O-])cc1 ZINC000729641119 574225686 /nfs/dbraw/zinc/22/56/86/574225686.db2.gz CJKHHLSBLJJZTE-UHFFFAOYSA-N -1 3 298.342 2.658 20 30 CFEDHM CN(C(=O)C/N=C/c1ccccc1[O-])C1CCCCC1 ZINC000748285870 574245207 /nfs/dbraw/zinc/24/52/07/574245207.db2.gz NTENCMSLBXLLQP-GZTJUZNOSA-N -1 3 274.364 2.602 20 30 CFEDHM CN1CCC[C@@H](/N=C\c2c([O-])ccc3ccccc32)C1=O ZINC000748286103 574245249 /nfs/dbraw/zinc/24/52/49/574245249.db2.gz PXOPVJYYOPAMDS-JQFNYASXSA-N -1 3 282.343 2.585 20 30 CFEDHM COC(=O)C1CCC(/N=C\c2ccccc2[O-])CC1 ZINC000730147767 574255507 /nfs/dbraw/zinc/25/55/07/574255507.db2.gz SAMKVXUKSNILSE-YBEGLDIGSA-N -1 3 261.321 2.543 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@](C)(O)c1ccsc1 ZINC000740763159 574265881 /nfs/dbraw/zinc/26/58/81/574265881.db2.gz ADWQPZTXXTUNPW-CRNMQVKPSA-N -1 3 291.372 2.789 20 30 CFEDHM Cc1ccc([O-])c(C=NNCc2cccc(Cl)c2)n1 ZINC000756827575 574266084 /nfs/dbraw/zinc/26/60/84/574266084.db2.gz PQBVSCVRPWOMKN-UHFFFAOYSA-N -1 3 275.739 2.873 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@@H]2C2CCCCC2)c1[O-] ZINC000741465003 574291939 /nfs/dbraw/zinc/29/19/39/574291939.db2.gz RWYSXISMTNUZBU-STTODAGISA-N -1 3 288.391 2.976 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)CC(C)(C)C ZINC000735228786 574316039 /nfs/dbraw/zinc/31/60/39/574316039.db2.gz HUWYKSFCPRXETK-YAFRSCOQSA-N -1 3 265.353 2.617 20 30 CFEDHM C=CCCCN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735412503 574322855 /nfs/dbraw/zinc/32/28/55/574322855.db2.gz DQBYSXYRRVZWTO-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCCN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735412503 574322857 /nfs/dbraw/zinc/32/28/57/574322857.db2.gz DQBYSXYRRVZWTO-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=CCCC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735409584 574323737 /nfs/dbraw/zinc/32/37/37/574323737.db2.gz GISYTZDZLPDKCX-UHFFFAOYSA-N -1 3 299.378 2.822 20 30 CFEDHM C=CCCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735409584 574323740 /nfs/dbraw/zinc/32/37/40/574323740.db2.gz GISYTZDZLPDKCX-UHFFFAOYSA-N -1 3 299.378 2.822 20 30 CFEDHM C=C(Cl)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735402105 574323864 /nfs/dbraw/zinc/32/38/64/574323864.db2.gz IAXNGBMZHHLMLO-UHFFFAOYSA-N -1 3 284.747 2.992 20 30 CFEDHM C=C(Cl)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735402105 574323865 /nfs/dbraw/zinc/32/38/65/574323865.db2.gz IAXNGBMZHHLMLO-UHFFFAOYSA-N -1 3 284.747 2.992 20 30 CFEDHM C=C(C)CCOC(=O)c1cc(-c2c(C)nn(C)c2C)[n-]n1 ZINC000744303875 574324640 /nfs/dbraw/zinc/32/46/40/574324640.db2.gz BYXJRTIDLBTECR-UHFFFAOYSA-N -1 3 288.351 2.550 20 30 CFEDHM Cc1ccc([O-])c(CN=Nc2c(F)cccc2F)n1 ZINC000735614830 574331417 /nfs/dbraw/zinc/33/14/17/574331417.db2.gz CHXZWNWOFUKVLC-UHFFFAOYSA-N -1 3 263.247 2.820 20 30 CFEDHM COc1ccc(NN=C(C)c2ccc(O)cc2[O-])cc1 ZINC000750923331 574363370 /nfs/dbraw/zinc/36/33/70/574363370.db2.gz XJOYEGADFCXHPJ-UHFFFAOYSA-N -1 3 272.304 2.943 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC(C)Cc2ccccc2C)n1 ZINC000743419295 574363652 /nfs/dbraw/zinc/36/36/52/574363652.db2.gz SGZYKHCSYNOTQA-UHFFFAOYSA-N -1 3 270.336 2.830 20 30 CFEDHM Cc1cc(F)ccc1NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000750938455 574364006 /nfs/dbraw/zinc/36/40/06/574364006.db2.gz HVZJINQWVAHBQC-UHFFFAOYSA-N -1 3 285.278 2.608 20 30 CFEDHM [O-]c1c(O)cccc1C=NNc1cccc(F)c1F ZINC000743441665 574364925 /nfs/dbraw/zinc/36/49/25/574364925.db2.gz MAAKPWNTDDVRDD-UHFFFAOYSA-N -1 3 264.231 2.822 20 30 CFEDHM Cn1nnc2cc(/C=C/C(=O)c3cccc([O-])c3)ccc21 ZINC000751031715 574368564 /nfs/dbraw/zinc/36/85/64/574368564.db2.gz BRYFFGKHIJSPHA-SOFGYWHQSA-N -1 3 279.299 2.570 20 30 CFEDHM CCC(CC)(C/N=C\c1c([O-])cccc1OC)C(=O)OC ZINC000751522580 574378250 /nfs/dbraw/zinc/37/82/50/574378250.db2.gz GCQMECJFDAPVSZ-YVLHZVERSA-N -1 3 293.363 2.799 20 30 CFEDHM CCC(CC)(C/N=C/c1c([O-])cccc1OC)C(=O)OC ZINC000751522576 574378339 /nfs/dbraw/zinc/37/83/39/574378339.db2.gz GCQMECJFDAPVSZ-LICLKQGHSA-N -1 3 293.363 2.799 20 30 CFEDHM CCCCC[C@@H](/N=C/c1c([O-])cccc1OC)C(=O)OC ZINC000751891389 574384375 /nfs/dbraw/zinc/38/43/75/574384375.db2.gz ZMEPZZOQBYSYIS-VVBXCHJUSA-N -1 3 293.363 2.942 20 30 CFEDHM CCCCC[C@H](/N=C\c1c([O-])cccc1OC)C(=O)OC ZINC000751891388 574384389 /nfs/dbraw/zinc/38/43/89/574384389.db2.gz ZMEPZZOQBYSYIS-MFVBVHDHSA-N -1 3 293.363 2.942 20 30 CFEDHM C[C@H](OC(=O)c1ccc(C#N)[n-]1)c1ccc(F)cc1 ZINC000752483620 574391789 /nfs/dbraw/zinc/39/17/89/574391789.db2.gz NHIWZIQXQBVGJY-VIFPVBQESA-N -1 3 258.252 2.943 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000752884083 574396152 /nfs/dbraw/zinc/39/61/52/574396152.db2.gz QKOJHRXWSAELHU-ZCRIDZFUSA-N -1 3 281.315 2.952 20 30 CFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)C1CCCCCC1 ZINC000819718934 607253011 /nfs/dbraw/zinc/25/30/11/607253011.db2.gz VCWGGSXQMIZYKF-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)C1CCCCCC1 ZINC000819718934 607253012 /nfs/dbraw/zinc/25/30/12/607253012.db2.gz VCWGGSXQMIZYKF-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC1(C)CCCC(N=NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820589339 607254279 /nfs/dbraw/zinc/25/42/79/607254279.db2.gz BYOQKHOACUPMEJ-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC1(C)CCCC(N=NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820589339 607254280 /nfs/dbraw/zinc/25/42/80/607254280.db2.gz BYOQKHOACUPMEJ-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM C[C@H](Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820456882 599356463 /nfs/dbraw/zinc/35/64/63/599356463.db2.gz WVZPNSUOZXRTDI-NSHDSACASA-N -1 3 290.330 2.911 20 30 CFEDHM C[C@H](Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820456882 599356466 /nfs/dbraw/zinc/35/64/66/599356466.db2.gz WVZPNSUOZXRTDI-NSHDSACASA-N -1 3 290.330 2.911 20 30 CFEDHM C=CC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000819730390 599549000 /nfs/dbraw/zinc/54/90/00/599549000.db2.gz YKWKMLJRPDUKKR-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=CC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000819730390 599549002 /nfs/dbraw/zinc/54/90/02/599549002.db2.gz YKWKMLJRPDUKKR-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=C(C)CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823878456 607534928 /nfs/dbraw/zinc/53/49/28/607534928.db2.gz ZYTDPZXPQORSPZ-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C=C(C)CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823878456 607534930 /nfs/dbraw/zinc/53/49/30/607534930.db2.gz ZYTDPZXPQORSPZ-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM N#Cc1cc(CN2CCCC[C@@H]2CC(=O)[O-])ccc1F ZINC000300454839 602235067 /nfs/dbraw/zinc/23/50/67/602235067.db2.gz VYMUSLPPNARSPO-CYBMUJFWSA-N -1 3 276.311 2.527 20 30 CFEDHM C[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)CN1C ZINC000833586493 605157075 /nfs/dbraw/zinc/15/70/75/605157075.db2.gz GDTISCXIAMPKLM-QMMMGPOBSA-N -1 3 281.743 2.530 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000822922472 606303046 /nfs/dbraw/zinc/30/30/46/606303046.db2.gz GMBLHZLGKCXDDF-SREVYHEPSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000822922472 606303048 /nfs/dbraw/zinc/30/30/48/606303048.db2.gz GMBLHZLGKCXDDF-SREVYHEPSA-N -1 3 282.328 2.824 20 30 CFEDHM C[C@H](NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820437956 606370407 /nfs/dbraw/zinc/37/04/07/606370407.db2.gz FBIPTYBZQLPGTE-JTQLQIEISA-N -1 3 298.375 2.613 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821476390 606470174 /nfs/dbraw/zinc/47/01/74/606470174.db2.gz OBUOQXJXNNPZAX-UITAMQMPSA-N -1 3 294.314 2.918 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821476390 606470176 /nfs/dbraw/zinc/47/01/76/606470176.db2.gz OBUOQXJXNNPZAX-UITAMQMPSA-N -1 3 294.314 2.918 20 30 CFEDHM CC[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820971995 606916832 /nfs/dbraw/zinc/91/68/32/606916832.db2.gz JGGZOEUWWNNGHX-JTQLQIEISA-N -1 3 270.340 2.845 20 30 CFEDHM CC[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820971995 606916834 /nfs/dbraw/zinc/91/68/34/606916834.db2.gz JGGZOEUWWNNGHX-JTQLQIEISA-N -1 3 270.340 2.845 20 30 CFEDHM Cc1cccc(C)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826296872 607886109 /nfs/dbraw/zinc/88/61/09/607886109.db2.gz MPCPTWDWKBKZQN-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1cccc(C)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826296872 607886110 /nfs/dbraw/zinc/88/61/10/607886110.db2.gz MPCPTWDWKBKZQN-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1cccc(C)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826297236 607886311 /nfs/dbraw/zinc/88/63/11/607886311.db2.gz ZKMMMYOXEYLESE-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM C=CCC[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901912192 620938734 /nfs/dbraw/zinc/93/87/34/620938734.db2.gz QKAFMGZGJIXDGK-DTWKUNHWSA-N -1 3 254.355 2.847 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@]12CCO[C@@H]1CCCC2 ZINC000900680088 620701578 /nfs/dbraw/zinc/70/15/78/620701578.db2.gz XOGYQCMFOFDVRG-GDBMZVCRSA-N -1 3 293.338 2.893 20 30 CFEDHM C[C@@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000824919366 609277778 /nfs/dbraw/zinc/27/77/78/609277778.db2.gz ULNNKCVBNPYJOG-VXGBXAGGSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000824919366 609277780 /nfs/dbraw/zinc/27/77/80/609277780.db2.gz ULNNKCVBNPYJOG-VXGBXAGGSA-N -1 3 298.394 2.768 20 30 CFEDHM CCCCN([O-])C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000900682135 620701731 /nfs/dbraw/zinc/70/17/31/620701731.db2.gz JUACRNWTWFMGHK-UHFFFAOYSA-N -1 3 284.287 2.684 20 30 CFEDHM CCC(C)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825049351 609473450 /nfs/dbraw/zinc/47/34/50/609473450.db2.gz BBYPYGGLVGLWDU-UHFFFAOYSA-N -1 3 264.720 2.718 20 30 CFEDHM CCC(C)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825049351 609473451 /nfs/dbraw/zinc/47/34/51/609473451.db2.gz BBYPYGGLVGLWDU-UHFFFAOYSA-N -1 3 264.720 2.718 20 30 CFEDHM CC(C)(C)[C@@H]1CCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000807965905 618002015 /nfs/dbraw/zinc/00/20/15/618002015.db2.gz BXFCQZWEUNOAFM-CYBMUJFWSA-N -1 3 294.420 2.918 20 30 CFEDHM CCC[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000177755247 618092492 /nfs/dbraw/zinc/09/24/92/618092492.db2.gz HAFATHRFFDDAHA-SNVBAGLBSA-N -1 3 290.363 2.528 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000846551540 618114241 /nfs/dbraw/zinc/11/42/41/618114241.db2.gz WKKYBWSAJVOLMB-GHMZBOCLSA-N -1 3 251.301 2.942 20 30 CFEDHM C[C@@H]1C[C@@H](NN=Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000901308507 620781708 /nfs/dbraw/zinc/78/17/08/620781708.db2.gz UBLIHSODTCBSLE-JGPRNRPPSA-N -1 3 282.771 2.925 20 30 CFEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000901372143 620797187 /nfs/dbraw/zinc/79/71/87/620797187.db2.gz RZOLFECBNAWSEQ-FZMZJTMJSA-N -1 3 281.327 2.749 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@]12CCC[C@H]1OCC2 ZINC000901372776 620797938 /nfs/dbraw/zinc/79/79/38/620797938.db2.gz MBWJYMKBGHVRMZ-HIFRSBDPSA-N -1 3 279.311 2.503 20 30 CFEDHM O=C(c1cccs1)N([O-])Cc1ccc(F)cc1 ZINC000901378293 620798997 /nfs/dbraw/zinc/79/89/97/620798997.db2.gz FXKMGDQOANYTBT-UHFFFAOYSA-N -1 3 251.282 2.919 20 30 CFEDHM COC(=O)N1CCC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000726429728 618474460 /nfs/dbraw/zinc/47/44/60/618474460.db2.gz QNHURFGFWYCVCZ-LUMBYOQCSA-N -1 3 296.754 2.695 20 30 CFEDHM C=CCC[C@@H](NCc1ccc([O-])c(F)c1)C(=O)OCC ZINC000894758270 619458728 /nfs/dbraw/zinc/45/87/28/619458728.db2.gz GDTQPMDIJPQJAY-CYBMUJFWSA-N -1 3 281.327 2.519 20 30 CFEDHM C#CCN(Cc1cccc(Cl)c1[O-])C1CSC1 ZINC000895813536 619613406 /nfs/dbraw/zinc/61/34/06/619613406.db2.gz CHTLLPIGDHSAIE-UHFFFAOYSA-N -1 3 267.781 2.596 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCC(C)(C)C2)c1[O-] ZINC000840706479 619857322 /nfs/dbraw/zinc/85/73/22/619857322.db2.gz NIISIJBMXGQFML-OCTXWABXSA-N -1 3 276.380 2.976 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCC(C)(C)C2)c1[O-] ZINC000840706480 619857396 /nfs/dbraw/zinc/85/73/96/619857396.db2.gz NIISIJBMXGQFML-ODGFMFMFSA-N -1 3 276.380 2.976 20 30 CFEDHM C[C@H](Cc1cnn(C)c1)/N=C/c1cc(Cl)ccc1[O-] ZINC000840710505 619912380 /nfs/dbraw/zinc/91/23/80/619912380.db2.gz SOKSXHNWFGPUJO-LYQMGENXSA-N -1 3 277.755 2.829 20 30 CFEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])C[C@H]2CCCCN12 ZINC000840710469 619912439 /nfs/dbraw/zinc/91/24/39/619912439.db2.gz QMZMQKCXTFEESJ-UMOJFFKJSA-N -1 3 292.766 2.618 20 30 CFEDHM C[C@@H](Cc1cnn(C)c1)/N=C\c1cc(Cl)ccc1[O-] ZINC000840710510 619912516 /nfs/dbraw/zinc/91/25/16/619912516.db2.gz SOKSXHNWFGPUJO-SYEOYNTFSA-N -1 3 277.755 2.829 20 30 CFEDHM C=CCC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928706870 619996060 /nfs/dbraw/zinc/99/60/60/619996060.db2.gz YAWOGPFLKTUONF-UHFFFAOYSA-N -1 3 251.301 2.750 20 30 CFEDHM COc1cc(C(=O)/C=C/c2cncs2)c(OC)cc1[O-] ZINC000130123340 620165308 /nfs/dbraw/zinc/16/53/08/620165308.db2.gz RFAIIZJKWXKWCY-ONEGZZNKSA-N -1 3 291.328 2.762 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCOC12CCOCC2 ZINC000899231726 620533772 /nfs/dbraw/zinc/53/37/72/620533772.db2.gz GJOJEKHSFRMJQW-XGHPXPSOSA-N -1 3 295.766 2.803 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCSC(C)(C)C2)c1[O-] ZINC000899232495 620534223 /nfs/dbraw/zinc/53/42/23/620534223.db2.gz OVAMXPJHRNWEQM-OPFCKLNOSA-N -1 3 294.420 2.681 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2c3c(nn2C)CCC3)cc(O)c1[O-] ZINC000899381028 620558187 /nfs/dbraw/zinc/55/81/87/620558187.db2.gz LLFHUBWDOPUBEV-VOTSOKGWSA-N -1 3 298.342 2.525 20 30 CFEDHM CCn1cncc1/C=C1\CCc2cc([O-])ccc2C1=O ZINC000901470305 620832233 /nfs/dbraw/zinc/83/22/33/620832233.db2.gz GNVXJEAIIRDHSP-KPKJPENVSA-N -1 3 268.316 2.821 20 30 CFEDHM C=C(C)CN(CC)Cc1cc(C(=O)[O-])ccc1OC ZINC000903591643 621403165 /nfs/dbraw/zinc/40/31/65/621403165.db2.gz PHLRTLYMKJTIFD-UHFFFAOYSA-N -1 3 263.337 2.791 20 30 CFEDHM C=C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])s1 ZINC000903685739 621418417 /nfs/dbraw/zinc/41/84/17/621418417.db2.gz ZWGDQJLCFSERGE-SNVBAGLBSA-N -1 3 251.351 2.987 20 30 CFEDHM COCC1(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000904170985 621541393 /nfs/dbraw/zinc/54/13/93/621541393.db2.gz HNKXHKXCTZUYIA-UHFFFAOYSA-N 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3 283.755 2.875 20 30 CFEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904190359 621545966 /nfs/dbraw/zinc/54/59/66/621545966.db2.gz KQVSKGRZIOUXKJ-QWRGUYRKSA-N -1 3 283.755 2.873 20 30 CFEDHM C[C@@H]1OCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197432 621548265 /nfs/dbraw/zinc/54/82/65/621548265.db2.gz CTTVAKXWDVDIQV-DZGCQCFKSA-N -1 3 277.364 2.652 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1[nH]nc2c1CCCC2 ZINC000904204213 621550622 /nfs/dbraw/zinc/55/06/22/621550622.db2.gz HNAPFFVAWPABQP-UHFFFAOYSA-N -1 3 279.384 2.629 20 30 CFEDHM CCCCCCN([O-])C(=O)c1csc(COC)n1 ZINC000904205350 621551010 /nfs/dbraw/zinc/55/10/10/621551010.db2.gz ISLKOZBCSZUDMF-UHFFFAOYSA-N -1 3 272.370 2.701 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1nc(C(C)C)no1 ZINC000904205890 621551289 /nfs/dbraw/zinc/55/12/89/621551289.db2.gz WUPYLCCEAKTYBO-UHFFFAOYSA-N -1 3 283.372 2.924 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](OC)c1ccc(F)cc1 ZINC000904215815 621551823 /nfs/dbraw/zinc/55/18/23/621551823.db2.gz LSAZBSHZJMWNAY-GFCCVEGCSA-N -1 3 255.289 2.531 20 30 CFEDHM CCCCN([O-])C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000904212135 621553732 /nfs/dbraw/zinc/55/37/32/621553732.db2.gz KVNWVFIESNBPNU-LLVKDONJSA-N -1 3 265.357 2.794 20 30 CFEDHM CCCCN([O-])C(=O)c1c(C)onc1-c1cccnc1 ZINC000904212500 621554011 /nfs/dbraw/zinc/55/40/11/621554011.db2.gz FXBMNUWFJJPRAO-UHFFFAOYSA-N -1 3 275.308 2.677 20 30 CFEDHM CCCCN([O-])C(=O)c1coc(-c2ccnc(C)c2)n1 ZINC000904214501 621555098 /nfs/dbraw/zinc/55/50/98/621555098.db2.gz BCYXOBJCNZUQMR-UHFFFAOYSA-N -1 3 275.308 2.677 20 30 CFEDHM CC[C@H](CN1CCOCC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000905001557 621679653 /nfs/dbraw/zinc/67/96/53/621679653.db2.gz BBRALQVGJFFELT-AYCSXLNKSA-N -1 3 296.798 2.575 20 30 CFEDHM CO[C@]1(C/N=C\c2cc(Cl)ccc2[O-])CCSC1 ZINC000905002720 621680285 /nfs/dbraw/zinc/68/02/85/621680285.db2.gz KUYKHZDTAHTQRK-XKBFBRDOSA-N -1 3 285.796 2.987 20 30 CFEDHM CC(=NNC[C@@H](C)C#N)c1ccc([O-])cc1Cl ZINC000905455755 621776393 /nfs/dbraw/zinc/77/63/93/621776393.db2.gz LKGKCQOJAVAFDL-QMMMGPOBSA-N -1 3 251.717 2.519 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C#N)CC(C)C)c1 ZINC000906514055 621996118 /nfs/dbraw/zinc/99/61/18/621996118.db2.gz YDOJJKXXTFZCBI-GFCCVEGCSA-N -1 3 296.317 2.841 20 30 CFEDHM C=C[C@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906964758 622068977 /nfs/dbraw/zinc/06/89/77/622068977.db2.gz MGXIOIMYOHKMGN-QMMMGPOBSA-N -1 3 297.380 2.794 20 30 CFEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907716595 622156312 /nfs/dbraw/zinc/15/63/12/622156312.db2.gz VIYPCAWIWUDFNA-LBPRGKRZSA-N -1 3 276.286 2.568 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CC2(C)C)c1 ZINC000908300205 622216005 /nfs/dbraw/zinc/21/60/05/622216005.db2.gz RMEHCTDYLURMIB-CQSZACIVSA-N -1 3 294.301 2.595 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1ccccc1SCC ZINC000911901188 622566317 /nfs/dbraw/zinc/56/63/17/622566317.db2.gz BRCUXLUXQWVTDL-UHFFFAOYSA-N -1 3 265.378 2.965 20 30 CFEDHM C=C[C@@H](CC)CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000822348279 623087343 /nfs/dbraw/zinc/08/73/43/623087343.db2.gz JSCIJHNTNNWBQV-VIFPVBQESA-N -1 3 289.314 2.547 20 30 CFEDHM C=C[C@@H](CC)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000822348279 623087349 /nfs/dbraw/zinc/08/73/49/623087349.db2.gz JSCIJHNTNNWBQV-VIFPVBQESA-N -1 3 289.314 2.547 20 30 CFEDHM Cc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963673 623376698 /nfs/dbraw/zinc/37/66/98/623376698.db2.gz VXZWXPFRDRFKNW-LBPRGKRZSA-N -1 3 299.355 2.721 20 30 CFEDHM Cc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963679 623376721 /nfs/dbraw/zinc/37/67/21/623376721.db2.gz VXZWXPFRDRFKNW-GFCCVEGCSA-N -1 3 299.355 2.721 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC000824028576 623435741 /nfs/dbraw/zinc/43/57/41/623435741.db2.gz MGWKYLRBZBQJRX-CYBMUJFWSA-N -1 3 277.364 2.888 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(C)c(Cl)c1 ZINC000824033600 623437431 /nfs/dbraw/zinc/43/74/31/623437431.db2.gz PQDPIOGSOGHXBI-JTQLQIEISA-N -1 3 253.729 2.813 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)Cc1cccc(OC)c1 ZINC000824034194 623437589 /nfs/dbraw/zinc/43/75/89/623437589.db2.gz YRBDBFHQFWFUHD-STQMWFEESA-N -1 3 277.364 2.886 20 30 CFEDHM N#CC1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824646056 623539064 /nfs/dbraw/zinc/53/90/64/623539064.db2.gz WLFYTSYOGNCTEP-UHFFFAOYSA-N -1 3 295.180 2.890 20 30 CFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cscc1C(F)F ZINC000914131801 623709914 /nfs/dbraw/zinc/70/99/14/623709914.db2.gz USWXDUOTFSMPBO-UHFFFAOYSA-N -1 3 287.740 2.717 20 30 CFEDHM CCOc1cc(C=NOC[C@H]2CCOC2)cc(Cl)c1[O-] ZINC000788032339 623951978 /nfs/dbraw/zinc/95/19/78/623951978.db2.gz ROPGGYXWLKPCNH-JTQLQIEISA-N -1 3 299.754 2.831 20 30 CFEDHM COc1cc(C(=O)/C=C/c2c(C)n[nH]c2C)ccc1[O-] ZINC000915653554 624090282 /nfs/dbraw/zinc/09/02/82/624090282.db2.gz BOTMHYAWVNXYAX-FNORWQNLSA-N -1 3 272.304 2.637 20 30 CFEDHM C=C[C@H](CC)CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000828209616 624200970 /nfs/dbraw/zinc/20/09/70/624200970.db2.gz KKISFPIWDGKQBR-LLVKDONJSA-N -1 3 289.379 2.668 20 30 CFEDHM C#CC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000829809521 624549686 /nfs/dbraw/zinc/54/96/86/624549686.db2.gz CNQKMEUVXWRJTJ-LBPRGKRZSA-N -1 3 274.320 2.536 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000920387068 624718107 /nfs/dbraw/zinc/71/81/07/624718107.db2.gz KOTBATJNFVKRHK-AWDHCAAQSA-N -1 3 276.380 2.833 20 30 CFEDHM C=C1CCC(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000830990630 624948584 /nfs/dbraw/zinc/94/85/84/624948584.db2.gz GXSWRETYSGLGRG-UHFFFAOYSA-N -1 3 287.363 2.536 20 30 CFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000233898124 624959567 /nfs/dbraw/zinc/95/95/67/624959567.db2.gz ZMPLVCUKLPDNEY-VIFPVBQESA-N -1 3 292.187 2.684 20 30 CFEDHM COc1cc(C=NN[C@@H](C)C(F)(F)F)cc(Cl)c1[O-] ZINC000834995401 625946594 /nfs/dbraw/zinc/94/65/94/625946594.db2.gz DNESQMIKLCALQB-LURJTMIESA-N -1 3 296.676 2.929 20 30 CFEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000175107292 626420479 /nfs/dbraw/zinc/42/04/79/626420479.db2.gz XNIWWLMLSFLNER-CYBMUJFWSA-N -1 3 282.299 2.858 20 30 CFEDHM CC(C)(C#N)CCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146716 626488171 /nfs/dbraw/zinc/48/81/71/626488171.db2.gz VPYSJQDFOKTQBM-UHFFFAOYSA-N -1 3 265.284 2.557 20 30 CFEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2Cl)c1[O-] ZINC000103169487 626504447 /nfs/dbraw/zinc/50/44/47/626504447.db2.gz WDEOOOMPGBBLHA-IUXPMGMMSA-N -1 3 290.750 2.860 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCCC2(C)C)c1[O-] ZINC000757525931 626554370 /nfs/dbraw/zinc/55/43/70/626554370.db2.gz JFVMDLMDZFHESX-BBSXFRJVSA-N -1 3 276.380 2.976 20 30 CFEDHM CCOc1cc(C=NNC2CCOCC2)cc(Cl)c1[O-] ZINC000757593233 626556111 /nfs/dbraw/zinc/55/61/11/626556111.db2.gz QQJQQEPNFOIHML-UHFFFAOYSA-N -1 3 298.770 2.547 20 30 CFEDHM COC(=O)[C@@H](CC(F)F)/N=C/c1cc(Cl)ccc1[O-] ZINC000761179416 626813735 /nfs/dbraw/zinc/81/37/35/626813735.db2.gz DPYCEYISXMFMBV-JPEBENEDSA-N -1 3 291.681 2.661 20 30 CFEDHM COC(=O)[C@H](CC(F)F)/N=C/c1cc(Cl)ccc1[O-] ZINC000761179422 626813967 /nfs/dbraw/zinc/81/39/67/626813967.db2.gz DPYCEYISXMFMBV-SWEBQMAJSA-N -1 3 291.681 2.661 20 30 CFEDHM C#CCCCOC(=O)c1cccc(Br)c1[O-] ZINC000766886309 627224811 /nfs/dbraw/zinc/22/48/11/627224811.db2.gz BWONOWUKAIPXBC-UHFFFAOYSA-N -1 3 283.121 2.725 20 30 CFEDHM N#CCN(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000769096789 627402393 /nfs/dbraw/zinc/40/23/93/627402393.db2.gz KXJZWWCUIKEFRB-UHFFFAOYSA-N -1 3 281.153 2.643 20 30 CFEDHM C#CCN(CC#CC)Cc1cc(Br)ccc1[O-] ZINC000769448490 627439915 /nfs/dbraw/zinc/43/99/15/627439915.db2.gz SFTYNVAUJMQGLB-UHFFFAOYSA-N -1 3 292.176 2.613 20 30 CFEDHM C#CCN(CC#CC)Cc1cccc(Br)c1[O-] ZINC000769452174 627441015 /nfs/dbraw/zinc/44/10/15/627441015.db2.gz QYTUKCRITBONJA-UHFFFAOYSA-N -1 3 292.176 2.613 20 30 CFEDHM N#Cc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)ccc1F ZINC000770571375 627530583 /nfs/dbraw/zinc/53/05/83/627530583.db2.gz RMLCCQSOQBUYME-RIYZIHGNSA-N -1 3 292.269 2.508 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770569669 627530818 /nfs/dbraw/zinc/53/08/18/627530818.db2.gz UQJBYNLUOFOJSI-NXLQUEFTSA-N -1 3 295.766 2.803 20 30 CFEDHM 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CFEDHM C=C[C@H](CCCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664087 775547714 /nfs/dbraw/zinc/54/77/14/775547714.db2.gz JDPGWIRPJFDKIH-SECBINFHSA-N -1 3 252.270 2.819 20 30 CFEDHM C=C[C@@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852408 775613916 /nfs/dbraw/zinc/61/39/16/775613916.db2.gz IINQWFYTOYYNNB-RXMQYKEDSA-N -1 3 250.245 2.737 20 30 CFEDHM CCOC(=O)[C@H]1CC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114403 775703568 /nfs/dbraw/zinc/70/35/68/775703568.db2.gz IZFAMYWATCIHDL-TUTVODKGSA-N -1 3 277.320 2.605 20 30 CFEDHM COC(=O)C[C@H]1CCC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113855 775704001 /nfs/dbraw/zinc/70/40/01/775704001.db2.gz AQKIITLJZAYKLR-XWDBZTJWSA-N -1 3 291.347 2.995 20 30 CFEDHM COC(=O)[C@H]1CC[C@@H](Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226117049 775706248 /nfs/dbraw/zinc/70/62/48/775706248.db2.gz XPUDKFNZGHJORP-DFHVEKNXSA-N -1 3 277.320 2.605 20 30 CFEDHM C=C(C)C(=O)OC[C@@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119884 775707688 /nfs/dbraw/zinc/70/76/88/775707688.db2.gz 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C=CCC[C@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698739 776574950 /nfs/dbraw/zinc/57/49/50/776574950.db2.gz REVIVSZRGJLGLW-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C1O[C@@H](CC)C(=O)C1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853332 776635114 /nfs/dbraw/zinc/63/51/14/776635114.db2.gz HMJHBXGXQVOPFF-ZDUSSCGKSA-N -1 3 288.299 2.509 20 30 CFEDHM CC#C[C@@H](CC)Oc1ncc(Br)cc1[O-] ZINC001228956433 776669030 /nfs/dbraw/zinc/66/90/30/776669030.db2.gz PBIPUHFOSYVHAX-SECBINFHSA-N -1 3 270.126 2.730 20 30 CFEDHM C=C[C@@H](Oc1cc([O-])c(C(C)C)cc1C(C)=O)C(=O)OC ZINC001228959008 776669785 /nfs/dbraw/zinc/66/97/85/776669785.db2.gz QHWOIHOMIZJEMU-CQSZACIVSA-N -1 3 292.331 2.825 20 30 CFEDHM N#C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001229949448 776923560 /nfs/dbraw/zinc/92/35/60/776923560.db2.gz AZCVNGUBESTNEV-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001229949448 776923565 /nfs/dbraw/zinc/92/35/65/776923565.db2.gz AZCVNGUBESTNEV-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC001231075403 777133661 /nfs/dbraw/zinc/13/36/61/777133661.db2.gz BKIXTBAKEMKNDL-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC001231075403 777133663 /nfs/dbraw/zinc/13/36/63/777133663.db2.gz BKIXTBAKEMKNDL-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM Cc1ccc([O-])c(CN(CC#N)Cc2ccccc2)n1 ZINC001231674381 777306410 /nfs/dbraw/zinc/30/64/10/777306410.db2.gz RNZBKXHXOFJLAT-UHFFFAOYSA-N -1 3 267.332 2.621 20 30 CFEDHM COc1ccc(CN2CCC(CC#N)CC2)cc1C(=O)[O-] ZINC001231751854 777324049 /nfs/dbraw/zinc/32/40/49/777324049.db2.gz GWDWRZZMHVEWGE-UHFFFAOYSA-N -1 3 288.347 2.519 20 30 CFEDHM C=C(C)C(=O)OC[C@H](C)Oc1cccc([O-])c1Cl ZINC001226708577 777612012 /nfs/dbraw/zinc/61/20/12/777612012.db2.gz HHOHAANQRQMQPD-VIFPVBQESA-N -1 3 270.712 2.932 20 30 CFEDHM N#Cc1ccc2c(c1)CCN(Cc1cccc([O-])c1F)C2 ZINC001233050813 777779035 /nfs/dbraw/zinc/77/90/35/777779035.db2.gz 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ZJIBQEBIOHYKPQ-UHFFFAOYSA-N -1 3 264.712 2.924 20 30 CFEDHM N#Cc1[n-]c(=NCC[C@H]2CC2(F)F)sc1Cl ZINC000598637902 350298989 /nfs/dbraw/zinc/29/89/89/350298989.db2.gz MACHLGPCMKWTLI-YFKPBYRVSA-N -1 3 263.700 2.547 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000599827660 350495369 /nfs/dbraw/zinc/49/53/69/350495369.db2.gz WEUVNXPAXKLKLC-CYBMUJFWSA-N -1 3 272.348 2.855 20 30 CFEDHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C#N ZINC000600706283 350598013 /nfs/dbraw/zinc/59/80/13/350598013.db2.gz DQFFNDRAVPPOFL-GXTWGEPZSA-N -1 3 272.348 2.552 20 30 CFEDHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C#N ZINC000600706285 350598377 /nfs/dbraw/zinc/59/83/77/350598377.db2.gz DQFFNDRAVPPOFL-OCCSQVGLSA-N -1 3 272.348 2.552 20 30 CFEDHM CC(C)(C)c1cnc(S(=O)(=O)CCCC(C)(C)C#N)[n-]1 ZINC000600893916 350624477 /nfs/dbraw/zinc/62/44/77/350624477.db2.gz COAYDNKVLSWMJG-UHFFFAOYSA-N -1 3 297.424 2.811 20 30 CFEDHM CC(C)(C)c1c[n-]c(S(=O)(=O)CCCC(C)(C)C#N)n1 ZINC000600893916 350624479 /nfs/dbraw/zinc/62/44/79/350624479.db2.gz COAYDNKVLSWMJG-UHFFFAOYSA-N -1 3 297.424 2.811 20 30 CFEDHM C=C(C)C[C@H](N=c1[n-]c(C(F)(F)F)cs1)C(=O)OC ZINC000601227931 350703660 /nfs/dbraw/zinc/70/36/60/350703660.db2.gz USXNPMZGWHVPTP-ZETCQYMHSA-N -1 3 294.298 2.504 20 30 CFEDHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCC[C@H]1C#N ZINC000601821793 350786230 /nfs/dbraw/zinc/78/62/30/350786230.db2.gz SYHVGGQTFRCNMC-ZANVPECISA-N -1 3 278.739 2.810 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601821867 350786543 /nfs/dbraw/zinc/78/65/43/350786543.db2.gz SZYSKQNDQZNSBZ-TZMCWYRMSA-N -1 3 272.348 2.719 20 30 CFEDHM N#C[C@@H]1CCC[C@H](NCc2cccc(C(=O)[O-])c2)C1 ZINC000602071612 350837544 /nfs/dbraw/zinc/83/75/44/350837544.db2.gz WPYSOYGXRMRHAQ-RISCZKNCSA-N -1 3 258.321 2.557 20 30 CFEDHM CC(C)(C)c1cc([N-]C(=O)c2cccnn2)c(C#N)s1 ZINC000602295919 350860659 /nfs/dbraw/zinc/86/06/59/350860659.db2.gz DJWLEYZNGSCARR-UHFFFAOYSA-N -1 3 286.360 2.960 20 30 CFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000611016323 351634117 /nfs/dbraw/zinc/63/41/17/351634117.db2.gz YNWCTQFVJHODOG-SECBINFHSA-N -1 3 298.795 2.536 20 30 CFEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000611279805 351663391 /nfs/dbraw/zinc/66/33/91/351663391.db2.gz BAPLJTTWJHPUEJ-HNNXBMFYSA-N -1 3 260.337 2.938 20 30 CFEDHM Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)c([O-])c1C ZINC000612367393 351808844 /nfs/dbraw/zinc/80/88/44/351808844.db2.gz OSXYWCRTRHDXLN-MRXNPFEDSA-N -1 3 272.348 2.775 20 30 CFEDHM CN(C)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614363287 352085100 /nfs/dbraw/zinc/08/51/00/352085100.db2.gz SZRFBNPPJMTHSY-UHFFFAOYSA-N -1 3 295.342 2.578 20 30 CFEDHM C=C[C@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000614488483 352099356 /nfs/dbraw/zinc/09/93/56/352099356.db2.gz MNDLXDVFIIVCOP-HNNXBMFYSA-N -1 3 263.337 2.565 20 30 CFEDHM CC(C)C[C@H](C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000615745590 352238566 /nfs/dbraw/zinc/23/85/66/352238566.db2.gz UPCFDOPSMWIORV-CYBMUJFWSA-N -1 3 292.354 2.908 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000617041757 352477274 /nfs/dbraw/zinc/47/72/74/352477274.db2.gz IMSOKWPAHFFFJV-VHSXEESVSA-N -1 3 266.366 2.713 20 30 CFEDHM C=CCC1(NC(=O)c2csc(=NCC)[n-]2)CCCC1 ZINC000619111933 352956746 /nfs/dbraw/zinc/95/67/46/352956746.db2.gz NGYCAJYBLAJRDQ-UHFFFAOYSA-N -1 3 279.409 2.616 20 30 CFEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153565770 188090039 /nfs/dbraw/zinc/09/00/39/188090039.db2.gz DGWMANZJZNMYML-VIFPVBQESA-N -1 3 269.728 2.965 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cccs1 ZINC000292668856 198369295 /nfs/dbraw/zinc/36/92/95/198369295.db2.gz JRAKTPIVSYOFAL-UHFFFAOYSA-N -1 3 259.396 2.629 20 30 CFEDHM CC#CCN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622070189 353473221 /nfs/dbraw/zinc/47/32/21/353473221.db2.gz LCKVALZEMXXNMO-UHFFFAOYSA-N -1 3 271.238 2.506 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000628312951 354539509 /nfs/dbraw/zinc/53/95/09/354539509.db2.gz UYUGHFMGDVDKQK-UHFFFAOYSA-N -1 3 284.363 2.804 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc([O-])c(CC)c2)C1 ZINC000628491923 354607449 /nfs/dbraw/zinc/60/74/49/354607449.db2.gz KQSDOLOPYHEBCV-GFCCVEGCSA-N -1 3 259.349 2.993 20 30 CFEDHM C=CCn1c(S[C@H]2CCCC[C@H]2C)n[n-]c1=O ZINC000629162729 354762429 /nfs/dbraw/zinc/76/24/29/354762429.db2.gz ZVAHNPNACVNZLG-ZJUUUORDSA-N -1 3 253.371 2.841 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)CC)cc1 ZINC000629317114 354783790 /nfs/dbraw/zinc/78/37/90/354783790.db2.gz YMYPEYFIXIOYJT-UHFFFAOYSA-N -1 3 267.350 2.597 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCOC)c1ccco1 ZINC000293493127 198657520 /nfs/dbraw/zinc/65/75/20/198657520.db2.gz OEIYFHKRXCKROM-JTQLQIEISA-N -1 3 273.279 2.685 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(F)c(F)c1N(C)C ZINC000630459349 355088469 /nfs/dbraw/zinc/08/84/69/355088469.db2.gz QVLOETKGADREOJ-NSHDSACASA-N -1 3 298.333 2.540 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)c(OC)c1 ZINC000630460054 355089102 /nfs/dbraw/zinc/08/91/02/355089102.db2.gz YJCCPPZMIRTCBN-NSHDSACASA-N -1 3 283.755 2.858 20 30 CFEDHM C#CCOc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271872789 191383093 /nfs/dbraw/zinc/38/30/93/191383093.db2.gz WTLVSPPDCCTYNQ-UHFFFAOYSA-N -1 3 274.320 2.694 20 30 CFEDHM C#CCOc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271872789 191383096 /nfs/dbraw/zinc/38/30/96/191383096.db2.gz WTLVSPPDCCTYNQ-UHFFFAOYSA-N -1 3 274.320 2.694 20 30 CFEDHM C=CCCc1noc(-c2cc(C)cc(OC)c2[O-])n1 ZINC000297264150 200129493 /nfs/dbraw/zinc/12/94/93/200129493.db2.gz KHGCWIBOWLUOCL-UHFFFAOYSA-N -1 3 260.293 2.878 20 30 CFEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c(C)o1 ZINC000297966130 200310264 /nfs/dbraw/zinc/31/02/64/200310264.db2.gz VUICBHWGNDLUKZ-UHFFFAOYSA-N -1 3 287.344 2.966 20 30 CFEDHM N#Cc1c[nH]c2ccnc(-c3ccc(F)c([O-])c3)c12 ZINC001243046379 781949732 /nfs/dbraw/zinc/94/97/32/781949732.db2.gz DZKSCYBARHBRHV-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000426831672 239269863 /nfs/dbraw/zinc/26/98/63/239269863.db2.gz GKHUHTJUIZWLDW-CYBMUJFWSA-N -1 3 272.329 2.535 20 30 CFEDHM Cc1nc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2[nH]1 ZINC000442616250 240970841 /nfs/dbraw/zinc/97/08/41/240970841.db2.gz LUOTXHADOWBNFS-UHFFFAOYSA-N -1 3 292.298 2.701 20 30 CFEDHM C=CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000276572115 193384863 /nfs/dbraw/zinc/38/48/63/193384863.db2.gz NBUMHSKUZCCKDY-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C=CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000276572115 193384865 /nfs/dbraw/zinc/38/48/65/193384865.db2.gz NBUMHSKUZCCKDY-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM CC1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000331781573 204154740 /nfs/dbraw/zinc/15/47/40/204154740.db2.gz AQHSPIYKPUFIPW-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2CCCCc3ccccc32)n1 ZINC000009666346 371900458 /nfs/dbraw/zinc/90/04/58/371900458.db2.gz JSCBDROKGJUYHK-RGEXLXHISA-N -1 3 282.347 2.621 20 30 CFEDHM CCOc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000046439790 373055058 /nfs/dbraw/zinc/05/50/58/373055058.db2.gz ZTHSWYQEOJGCRM-ZDUSSCGKSA-N -1 3 266.300 2.970 20 30 CFEDHM Cc1ccccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000064372436 373823549 /nfs/dbraw/zinc/82/35/49/373823549.db2.gz CVMMOCQIKJGXGK-UHFFFAOYSA-N -1 3 279.303 2.811 20 30 CFEDHM Cc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000064372436 373823551 /nfs/dbraw/zinc/82/35/51/373823551.db2.gz CVMMOCQIKJGXGK-UHFFFAOYSA-N -1 3 279.303 2.811 20 30 CFEDHM Cc1ccccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000064372436 373823554 /nfs/dbraw/zinc/82/35/54/373823554.db2.gz CVMMOCQIKJGXGK-UHFFFAOYSA-N -1 3 279.303 2.811 20 30 CFEDHM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc(C#N)[n-]1 ZINC000334141188 206055459 /nfs/dbraw/zinc/05/54/59/206055459.db2.gz DYYQAAWIDRGWSJ-UHFFFAOYSA-N -1 3 297.362 2.571 20 30 CFEDHM N#Cc1ccc(/C=C\C(=O)[N-]OC2CCCCC2)cc1 ZINC000492715967 246366326 /nfs/dbraw/zinc/36/63/26/246366326.db2.gz CQPXPHJLGIBYRG-KHPPLWFESA-N -1 3 270.332 2.952 20 30 CFEDHM CC(C)c1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084072608 374762976 /nfs/dbraw/zinc/76/29/76/374762976.db2.gz LJIGJIGRQDQOLM-UHFFFAOYSA-N -1 3 278.362 2.847 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000084674653 374786636 /nfs/dbraw/zinc/78/66/36/374786636.db2.gz VGBMRKKNKIZMII-SECBINFHSA-N -1 3 275.320 2.516 20 30 CFEDHM CCCCn1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000121946386 376919107 /nfs/dbraw/zinc/91/91/07/376919107.db2.gz QQZJJOXAVVLVID-CYBMUJFWSA-N -1 3 282.347 2.877 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000130389542 377550079 /nfs/dbraw/zinc/55/00/79/377550079.db2.gz LGPMKNFLGDAYIY-UHFFFAOYSA-N -1 3 272.308 2.772 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000130389542 377550088 /nfs/dbraw/zinc/55/00/88/377550088.db2.gz LGPMKNFLGDAYIY-UHFFFAOYSA-N -1 3 272.308 2.772 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000130389542 377550096 /nfs/dbraw/zinc/55/00/96/377550096.db2.gz LGPMKNFLGDAYIY-UHFFFAOYSA-N -1 3 272.308 2.772 20 30 CFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2csc(=O)[n-]2)C1 ZINC000329911338 378512546 /nfs/dbraw/zinc/51/25/46/378512546.db2.gz NTCZNPOCVLLRFD-PRHODGIISA-N -1 3 265.338 2.626 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@@H](CO)CC2CCCC2)c1 ZINC000330413440 378549473 /nfs/dbraw/zinc/54/94/73/378549473.db2.gz ANLSPDSIPIAKRQ-CYBMUJFWSA-N -1 3 277.364 2.946 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC[C@@H](O)C(C)(C)C)c1 ZINC000330606345 378589660 /nfs/dbraw/zinc/58/96/60/378589660.db2.gz NMLGHMRCXKFHDO-CYBMUJFWSA-N -1 3 265.353 2.666 20 30 CFEDHM C#CCOc1ccc(F)cc1NC([O-])=NOCC(C)C ZINC000160543055 378780606 /nfs/dbraw/zinc/78/06/06/378780606.db2.gz HPKKKBDOJKFUPZ-UHFFFAOYSA-N -1 3 280.299 2.547 20 30 CFEDHM C#CCOc1ccc(F)cc1NC(=O)[N-]OCC(C)C ZINC000160543055 378780614 /nfs/dbraw/zinc/78/06/14/378780614.db2.gz HPKKKBDOJKFUPZ-UHFFFAOYSA-N -1 3 280.299 2.547 20 30 CFEDHM CC(C)Oc1cccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000167142292 379069020 /nfs/dbraw/zinc/06/90/20/379069020.db2.gz SQOBUGDJEQOBSN-LBPRGKRZSA-N -1 3 281.315 2.754 20 30 CFEDHM Cc1sc([N-]C(=O)c2cncs2)c(C#N)c1C ZINC000334405987 379242900 /nfs/dbraw/zinc/24/29/00/379242900.db2.gz JQLCFQKMENEFOU-UHFFFAOYSA-N -1 3 263.347 2.945 20 30 CFEDHM N#Cc1cccc(F)c1CC(=O)Nc1ccc([O-])cc1F ZINC000335436424 379292997 /nfs/dbraw/zinc/29/29/97/379292997.db2.gz KMWJBDCBHWZXDK-UHFFFAOYSA-N -1 3 288.253 2.723 20 30 CFEDHM CCc1noc(C)c1[N-]C(=O)c1ccc(C#N)s1 ZINC000335983697 380194631 /nfs/dbraw/zinc/19/46/31/380194631.db2.gz YWEJBFFEXSGLSH-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)CSCC#N)c1[O-] ZINC000179802244 380581924 /nfs/dbraw/zinc/58/19/24/380581924.db2.gz NANNYPIPBSLWMP-UHFFFAOYSA-N -1 3 270.741 2.549 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000180853094 380705409 /nfs/dbraw/zinc/70/54/09/380705409.db2.gz IRJFIKHAIJOSJC-NSHDSACASA-N -1 3 296.367 2.720 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1sccc1OC ZINC000180853133 380706294 /nfs/dbraw/zinc/70/62/94/380706294.db2.gz GBLAODQSDGTUEH-JTQLQIEISA-N -1 3 289.422 2.780 20 30 CFEDHM COc1cccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1[O-] ZINC000408417366 380924544 /nfs/dbraw/zinc/92/45/44/380924544.db2.gz YFXYGVORPQBYCH-CYBMUJFWSA-N -1 3 288.347 2.555 20 30 CFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc([O-])c2)C1 ZINC000182460944 381091868 /nfs/dbraw/zinc/09/18/68/381091868.db2.gz RFGJIUNGODKZAK-NHYWBVRUSA-N -1 3 258.321 2.594 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1cc(C#N)cs1 ZINC000183079343 381211503 /nfs/dbraw/zinc/21/15/03/381211503.db2.gz BUCYXRISXKXVQR-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM CC(C)ON=C([O-])Nc1cc(C#N)cn1C(C)(C)C ZINC000296465854 381408211 /nfs/dbraw/zinc/40/82/11/381408211.db2.gz WMLOCLWOICGTDT-UHFFFAOYSA-N -1 3 264.329 2.576 20 30 CFEDHM CC(C)O[N-]C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000296465854 381408218 /nfs/dbraw/zinc/40/82/18/381408218.db2.gz WMLOCLWOICGTDT-UHFFFAOYSA-N -1 3 264.329 2.576 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1cccc(C)c1[O-] ZINC000299294654 381885601 /nfs/dbraw/zinc/88/56/01/381885601.db2.gz LBJXTCYGPVHTQW-UHFFFAOYSA-N -1 3 273.254 2.891 20 30 CFEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000343884698 382003017 /nfs/dbraw/zinc/00/30/17/382003017.db2.gz FRZQBEWECMANCS-UHFFFAOYSA-N -1 3 299.305 2.721 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(SC)c1C ZINC000416955969 381976268 /nfs/dbraw/zinc/97/62/68/381976268.db2.gz MRVPHXNRYCHBDE-JTQLQIEISA-N -1 3 284.406 2.761 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000351583153 382047164 /nfs/dbraw/zinc/04/71/64/382047164.db2.gz RUQIWTGUYMBYOS-UHFFFAOYSA-N -1 3 275.320 2.599 20 30 CFEDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000388035790 382602183 /nfs/dbraw/zinc/60/21/83/382602183.db2.gz LRPJAZACXQTBCJ-MNOVXSKESA-N -1 3 298.795 2.536 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2c(C)ccn2C)n1 ZINC000190638663 382676065 /nfs/dbraw/zinc/67/60/65/382676065.db2.gz ZGYDUOUTRHXPIY-JTQLQIEISA-N -1 3 259.334 2.589 20 30 CFEDHM COc1ccc(C(=O)N2CCC(CCC#N)CC2)c([O-])c1 ZINC000399355145 382638753 /nfs/dbraw/zinc/63/87/53/382638753.db2.gz OCPFOMQCAQUGNM-UHFFFAOYSA-N -1 3 288.347 2.557 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000191137292 382692541 /nfs/dbraw/zinc/69/25/41/382692541.db2.gz DEKGJSGALQMTGC-CQSZACIVSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000191137292 382692542 /nfs/dbraw/zinc/69/25/42/382692542.db2.gz DEKGJSGALQMTGC-CQSZACIVSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000191137292 382692544 /nfs/dbraw/zinc/69/25/44/382692544.db2.gz DEKGJSGALQMTGC-CQSZACIVSA-N -1 3 274.324 2.914 20 30 CFEDHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000534286745 382921071 /nfs/dbraw/zinc/92/10/71/382921071.db2.gz YZQUZUNWQPOGLL-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM N#CC(=C([O-])c1cccnc1C1CC1)c1ccccn1 ZINC000544147306 382974786 /nfs/dbraw/zinc/97/47/86/382974786.db2.gz ISLNBLDPPGBUQD-ZDUSSCGKSA-N -1 3 263.300 2.844 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448825416 383102824 /nfs/dbraw/zinc/10/28/24/383102824.db2.gz RCAKCBUURSAKQU-UHFFFAOYSA-N -1 3 291.244 2.651 20 30 CFEDHM C=CCn1c(S[C@@H]2CCC(C)(C)C2)n[n-]c1=O ZINC000566210498 383184782 /nfs/dbraw/zinc/18/47/82/383184782.db2.gz WSMYMEBLTCDZRY-SECBINFHSA-N -1 3 253.371 2.841 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CCC(F)(F)C1 ZINC000339113810 383153458 /nfs/dbraw/zinc/15/34/58/383153458.db2.gz HRQAWBFNGPLEDF-MRVPVSSYSA-N -1 3 275.324 2.697 20 30 CFEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccccc2[O-])cc1 ZINC000471793823 383378493 /nfs/dbraw/zinc/37/84/93/383378493.db2.gz PVBWYINKRJXPNB-CQSZACIVSA-N -1 3 291.310 2.585 20 30 CFEDHM C=CCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000526000854 383420740 /nfs/dbraw/zinc/42/07/40/383420740.db2.gz SUFCRYZEXNJQDY-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C=CCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000526000854 383420741 /nfs/dbraw/zinc/42/07/41/383420741.db2.gz SUFCRYZEXNJQDY-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C[C@@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])cc2C#N)cn1 ZINC000489944375 383644794 /nfs/dbraw/zinc/64/47/94/383644794.db2.gz FOWUDFMRTUMXOJ-VIFPVBQESA-N -1 3 298.306 2.773 20 30 CFEDHM C=CCCCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000572060560 383751616 /nfs/dbraw/zinc/75/16/16/383751616.db2.gz PGAWIWIRDYZHGG-UHFFFAOYSA-N -1 3 275.352 2.536 20 30 CFEDHM C=CCN(Cc1cnc(C(=O)[O-])cn1)CC1CCCCC1 ZINC000530160978 383766708 /nfs/dbraw/zinc/76/67/08/383766708.db2.gz HECOKPCHOYINOF-UHFFFAOYSA-N -1 3 289.379 2.743 20 30 CFEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436575023 383841559 /nfs/dbraw/zinc/84/15/59/383841559.db2.gz LUORBUXUZTXGRN-OAHLLOKOSA-N -1 3 286.375 2.939 20 30 CFEDHM CC#CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436738179 383884563 /nfs/dbraw/zinc/88/45/63/383884563.db2.gz NOWHMGWRQDBVLI-UHFFFAOYSA-N -1 3 295.338 2.724 20 30 CFEDHM CCc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)c([O-])c1 ZINC000436837437 383895254 /nfs/dbraw/zinc/89/52/54/383895254.db2.gz OSMVKIUGPJISRC-LLVKDONJSA-N -1 3 272.348 2.719 20 30 CFEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(O)cc1[O-] ZINC000436918910 383897940 /nfs/dbraw/zinc/89/79/40/383897940.db2.gz LBIIJDZULSHJIE-UHFFFAOYSA-N -1 3 287.315 2.562 20 30 CFEDHM C=CCOc1ccccc1CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000574810473 335049246 /nfs/dbraw/zinc/04/92/46/335049246.db2.gz HMWKBBZKMAHLOK-HIFRSBDPSA-N -1 3 289.375 2.794 20 30 CFEDHM C=CCNc1ncc(C(=O)[N-]c2c(C)noc2C)s1 ZINC000269503424 384771696 /nfs/dbraw/zinc/77/16/96/384771696.db2.gz GFDBXQPAEOMBEC-UHFFFAOYSA-N -1 3 278.337 2.598 20 30 CFEDHM CCCc1nc(C)c(C([O-])=C(C#N)c2ccccn2)o1 ZINC000644786864 385058901 /nfs/dbraw/zinc/05/89/01/385058901.db2.gz UKYDZUOAZRJMRO-LLVKDONJSA-N -1 3 269.304 2.821 20 30 CFEDHM CCCc1ncc(C(=O)[N-]c2snc(C)c2C#N)s1 ZINC000280676466 385111361 /nfs/dbraw/zinc/11/13/61/385111361.db2.gz AAHRKMSEHNNPLI-UHFFFAOYSA-N -1 3 292.389 2.985 20 30 CFEDHM Cc1cc(Br)cc(CN(CC#N)C2CC2)c1[O-] ZINC000271705348 385389107 /nfs/dbraw/zinc/38/91/07/385389107.db2.gz FHIBHVZVUYGTJQ-UHFFFAOYSA-N -1 3 295.180 2.951 20 30 CFEDHM C=CCCCCCCNc1nc2nncc-2c(O)[n-]1 ZINC000286498831 385635917 /nfs/dbraw/zinc/63/59/17/385635917.db2.gz RXTWGWLYWCJJSS-UHFFFAOYSA-N -1 3 261.329 2.607 20 30 CFEDHM C#C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C ZINC000288146664 197014175 /nfs/dbraw/zinc/01/41/75/197014175.db2.gz JITBZSONBAVTTP-CQSZACIVSA-N -1 3 282.343 2.718 20 30 CFEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000286825117 196713056 /nfs/dbraw/zinc/71/30/56/196713056.db2.gz VOSVABAZTCOXAE-UHFFFAOYSA-N -1 3 257.355 2.694 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000116905221 260007909 /nfs/dbraw/zinc/00/79/09/260007909.db2.gz TVRYMZAMWPNYOG-ZETCQYMHSA-N -1 3 265.787 2.644 20 30 CFEDHM C#C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)C(C)C ZINC000282243726 195549281 /nfs/dbraw/zinc/54/92/81/195549281.db2.gz VNBFEPWZXRTWKZ-LBPRGKRZSA-N -1 3 285.265 2.799 20 30 CFEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000334294780 393591362 /nfs/dbraw/zinc/59/13/62/393591362.db2.gz UVCCJHXBDZFVJE-CQSZACIVSA-N -1 3 270.263 2.526 20 30 CFEDHM Cc1csc([N-]C(=O)c2ccncc2F)c1C#N 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C=CCC(C)(C)CNC(=O)/C=C/c1cncc([O-])c1 ZINC000492804768 394076706 /nfs/dbraw/zinc/07/67/06/394076706.db2.gz IEFSTNXEGCDUHU-AATRIKPKSA-N -1 3 260.337 2.519 20 30 CFEDHM C=CCOCCCSCc1nc(CC)cc(=O)[n-]1 ZINC000359134263 394125016 /nfs/dbraw/zinc/12/50/16/394125016.db2.gz QCWALZNSUKXMFK-UHFFFAOYSA-N -1 3 268.382 2.571 20 30 CFEDHM CCc1n[n-]c(=NOC[C@H](C)CC)c(C#N)c1CC ZINC000291793239 394260533 /nfs/dbraw/zinc/26/05/33/394260533.db2.gz IZOWUXGROZFBJJ-SNVBAGLBSA-N -1 3 262.357 2.863 20 30 CFEDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151113083 394260691 /nfs/dbraw/zinc/26/06/91/394260691.db2.gz LQUOCPVNEPGUHI-LLVKDONJSA-N -1 3 284.356 2.554 20 30 CFEDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157290187 394343500 /nfs/dbraw/zinc/34/35/00/394343500.db2.gz CEHPVEHJCXHOBQ-SKDRFNHKSA-N -1 3 298.795 2.679 20 30 CFEDHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157290338 394343568 /nfs/dbraw/zinc/34/35/68/394343568.db2.gz CEHPVEHJCXHOBQ-CABZTGNLSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CCC1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCC1 ZINC000649230085 395456501 /nfs/dbraw/zinc/45/65/01/395456501.db2.gz YVVSJTREHOYOOW-UHFFFAOYSA-N -1 3 261.369 2.948 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1nc(C)ccc1CC ZINC000656738332 413167415 /nfs/dbraw/zinc/16/74/15/413167415.db2.gz SVYBETXDRJLKPA-UHFFFAOYSA-N -1 3 268.382 2.660 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cc(Cl)cn2C)n1 ZINC000041517917 397554702 /nfs/dbraw/zinc/55/47/02/397554702.db2.gz XTZMANAAYXXEEY-VIFPVBQESA-N -1 3 279.752 2.934 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1C ZINC000047375938 397585144 /nfs/dbraw/zinc/58/51/44/397585144.db2.gz KCIUSRRCGHDDLS-CYBMUJFWSA-N -1 3 290.326 2.767 20 30 CFEDHM C=C(CC)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656768692 413200309 /nfs/dbraw/zinc/20/03/09/413200309.db2.gz WIHSYYRZVUSGFS-MELADBBJSA-N -1 3 251.370 2.918 20 30 CFEDHM CC[C@H](C)c1cc(C(=O)[N-]c2ccncc2C#N)on1 ZINC000356159282 155173941 /nfs/dbraw/zinc/17/39/41/155173941.db2.gz BPBMBAZCLPCLCJ-VIFPVBQESA-N -1 3 270.292 2.707 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000657036220 413292399 /nfs/dbraw/zinc/29/23/99/413292399.db2.gz BLPHEMIMNAIMHS-NWDGAFQWSA-N -1 3 269.366 2.693 20 30 CFEDHM C=CC[C@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385372 413944798 /nfs/dbraw/zinc/94/47/98/413944798.db2.gz NZRGLRZVULMDIL-OLZOCXBDSA-N -1 3 261.369 2.840 20 30 CFEDHM C=CC[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000661385369 413945481 /nfs/dbraw/zinc/94/54/81/413945481.db2.gz NZRGLRZVULMDIL-CHWSQXEVSA-N -1 3 261.369 2.840 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2c(C3CC3)cnn2C)n1 ZINC000659010738 414431036 /nfs/dbraw/zinc/43/10/36/414431036.db2.gz YMDKJVPJXABCMA-JTQLQIEISA-N -1 3 286.360 2.553 20 30 CFEDHM C[C@H]1CCCC[C@H]1OCC(=O)[N-]c1nncn1C1CC1 ZINC000329130805 227317634 /nfs/dbraw/zinc/31/76/34/227317634.db2.gz XHJJVSAQVOGTNF-CMPLNLGQSA-N -1 3 278.356 2.796 20 30 CFEDHM CCC(CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000072673325 260277928 /nfs/dbraw/zinc/27/79/28/260277928.db2.gz CAFJDFLUXWOHKI-UHFFFAOYSA-N -1 3 250.224 2.848 20 30 CFEDHM CCC(CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072673325 260277929 /nfs/dbraw/zinc/27/79/29/260277929.db2.gz CAFJDFLUXWOHKI-UHFFFAOYSA-N -1 3 250.224 2.848 20 30 CFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000130495415 260857562 /nfs/dbraw/zinc/85/75/62/260857562.db2.gz VYVBYFDZKYKIEV-HIFRSBDPSA-N -1 3 292.404 2.578 20 30 CFEDHM N#CC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000153592861 261081048 /nfs/dbraw/zinc/08/10/48/261081048.db2.gz SJOVFOBDYAGUOZ-UHFFFAOYSA-N -1 3 250.685 2.678 20 30 CFEDHM COc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000106353721 261834834 /nfs/dbraw/zinc/83/48/34/261834834.db2.gz IYDZGGNDJFCNNY-VIFPVBQESA-N -1 3 258.302 2.642 20 30 CFEDHM N#CC1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000185688439 262066481 /nfs/dbraw/zinc/06/64/81/262066481.db2.gz UPLTYPOGQGNILX-UHFFFAOYSA-N -1 3 284.359 2.647 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccccc1F ZINC000310756651 262172248 /nfs/dbraw/zinc/17/22/48/262172248.db2.gz ADERDCXAWJIIGT-UHFFFAOYSA-N -1 3 271.357 2.706 20 30 CFEDHM CC(C)(C#N)CCO[N-]C(=O)CCCc1ccccc1 ZINC000272063142 263002041 /nfs/dbraw/zinc/00/20/41/263002041.db2.gz GTLYSIMFTAPLKY-UHFFFAOYSA-N -1 3 274.364 2.997 20 30 CFEDHM CC1(C)CCCN(Cc2cc3c(cc2[O-])OCO3)[C@H]1C#N ZINC000277593648 263042220 /nfs/dbraw/zinc/04/22/20/263042220.db2.gz VYJIDOJVEOEBHC-HNNXBMFYSA-N -1 3 288.347 2.635 20 30 CFEDHM CCOc1cc(-c2noc(C(C)(C)C#N)n2)ccc1[O-] ZINC000277858558 263043902 /nfs/dbraw/zinc/04/39/02/263043902.db2.gz JYOLXHJEZLWIPK-UHFFFAOYSA-N -1 3 273.292 2.642 20 30 CFEDHM C[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000299661127 263250538 /nfs/dbraw/zinc/25/05/38/263250538.db2.gz NBBVDARNTLLYBM-QMMMGPOBSA-N -1 3 272.682 2.850 20 30 CFEDHM C=C(CN=c1[n-]c(C(=O)OC)c(C)s1)c1ccccc1 ZINC000340852461 263308812 /nfs/dbraw/zinc/30/88/12/263308812.db2.gz QFULKSODVSOMLH-UHFFFAOYSA-N -1 3 288.372 2.785 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000340920092 263315209 /nfs/dbraw/zinc/31/52/09/263315209.db2.gz KFMCLWKZHPONFY-SNVBAGLBSA-N -1 3 294.401 2.663 20 30 CFEDHM CC[C@@H](CC(F)(F)F)NC(=O)c1csc(=O)[n-]1 ZINC000331023938 264098923 /nfs/dbraw/zinc/09/89/23/264098923.db2.gz UQGJXTVSBUQEGZ-YFKPBYRVSA-N -1 3 268.260 2.884 20 30 CFEDHM CCc1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C)c([O-])c1 ZINC000331235487 264174232 /nfs/dbraw/zinc/17/42/32/264174232.db2.gz LOZYGHBLRWXIDW-MEBBXXQBSA-N -1 3 263.337 2.827 20 30 CFEDHM CC(C)(C)c1nnsc1C(=O)[N-]c1cc(C#N)ccn1 ZINC000331234463 264174401 /nfs/dbraw/zinc/17/44/01/264174401.db2.gz SJDOCZIJPYZHPL-UHFFFAOYSA-N -1 3 287.348 2.739 20 30 CFEDHM COc1cccc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1[O-] ZINC000331245831 264178904 /nfs/dbraw/zinc/17/89/04/264178904.db2.gz UGBJMHVFGDFXAP-MNOVXSKESA-N -1 3 279.336 2.663 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](CO)CC2CCCC2)c([O-])c1 ZINC000331246316 264179468 /nfs/dbraw/zinc/17/94/68/264179468.db2.gz UVYGFLXWYYOTQN-ZDUSSCGKSA-N -1 3 277.364 2.946 20 30 CFEDHM N#CC[C@@H](CC(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000356734443 266167567 /nfs/dbraw/zinc/16/75/67/266167567.db2.gz VKXRWNRVZUKKQF-ZDUSSCGKSA-N -1 3 281.315 2.813 20 30 CFEDHM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000357794225 266364785 /nfs/dbraw/zinc/36/47/85/266364785.db2.gz FBSAQELYBGMQKN-LBPRGKRZSA-N -1 3 299.305 2.731 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)(C)C ZINC000523567920 267195630 /nfs/dbraw/zinc/19/56/30/267195630.db2.gz LDLOUZIFRYJKBW-CYBMUJFWSA-N -1 3 298.383 2.800 20 30 CFEDHM C=CCC(CC=C)C(=O)N=c1[nH][n-]c(C)c1-c1ccncc1 ZINC000377024765 268041371 /nfs/dbraw/zinc/04/13/71/268041371.db2.gz KHMTYSXNZOKHHX-UHFFFAOYSA-N -1 3 296.374 2.909 20 30 CFEDHM CC(C)(C)c1csc([N-]C(=O)c2cnccn2)c1C#N ZINC000410932467 277272140 /nfs/dbraw/zinc/27/21/40/277272140.db2.gz YICQNUCSXLROPK-UHFFFAOYSA-N -1 3 286.360 2.960 20 30 CFEDHM N#Cc1csc(C[N-]c2nnc(C(F)F)o2)c1 ZINC000189285916 280872077 /nfs/dbraw/zinc/87/20/77/280872077.db2.gz TUZOSEUOTISDLC-UHFFFAOYSA-N -1 3 256.237 2.552 20 30 CFEDHM C[C@@H](c1cccc(C#N)c1)N(C)Cc1ncccc1[O-] ZINC000566137967 290352346 /nfs/dbraw/zinc/35/23/46/290352346.db2.gz VQQTXFIIXJUWSH-LBPRGKRZSA-N -1 3 267.332 2.852 20 30 CFEDHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000295001411 328284160 /nfs/dbraw/zinc/28/41/60/328284160.db2.gz DEECMKCRSUXOBU-CQSZACIVSA-N -1 3 294.420 2.661 20 30 CFEDHM N#Cc1ccc(C[S@](=O)c2ccc([O-])cc2)cc1F ZINC000191181813 324046242 /nfs/dbraw/zinc/04/62/42/324046242.db2.gz CGUQOAXMVKDUNQ-IBGZPJMESA-N -1 3 275.304 2.711 20 30 CFEDHM CCOc1cc(-c2noc(-c3cc(C#N)c[nH]3)n2)ccc1[O-] ZINC000350791625 324257848 /nfs/dbraw/zinc/25/78/48/324257848.db2.gz JMONVGKQWYLDOX-UHFFFAOYSA-N -1 3 296.286 2.708 20 30 CFEDHM C=CCN(CC1CCCCC1)C(=O)Cc1cncc([O-])c1 ZINC000563735989 328498161 /nfs/dbraw/zinc/49/81/61/328498161.db2.gz XSBVTSNHUYKDHO-UHFFFAOYSA-N -1 3 288.391 2.925 20 30 CFEDHM C=CCSCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000178193659 329194337 /nfs/dbraw/zinc/19/43/37/329194337.db2.gz SMCDDSGIUKBQFM-UHFFFAOYSA-N -1 3 285.796 2.624 20 30 CFEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)sc1Cl ZINC000231808379 329380665 /nfs/dbraw/zinc/38/06/65/329380665.db2.gz PIQJYCBVVQULMR-QMMMGPOBSA-N -1 3 292.813 2.536 20 30 CFEDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C#N)sc1Cl ZINC000231808412 329380625 /nfs/dbraw/zinc/38/06/25/329380625.db2.gz IWVNAKDGIJPOFF-UHFFFAOYSA-N -1 3 292.813 2.538 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000088475041 330376434 /nfs/dbraw/zinc/37/64/34/330376434.db2.gz OLKYNGUYOUVCLU-ZDUSSCGKSA-N -1 3 266.366 2.854 20 30 CFEDHM C=C[C@H](C)NC(=O)c1ccc(OCCCC)cc1[O-] ZINC000436983108 330690268 /nfs/dbraw/zinc/69/02/68/330690268.db2.gz CFLNOWDTISHQPG-NSHDSACASA-N -1 3 263.337 2.875 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(CC)ccc1[O-] ZINC000437479297 330700600 /nfs/dbraw/zinc/70/06/00/330700600.db2.gz WTSOAVZUVKQPNZ-XJKSGUPXSA-N -1 3 289.375 2.666 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CCCC1(F)F ZINC000450865156 331003654 /nfs/dbraw/zinc/00/36/54/331003654.db2.gz CRUWZSUBMGNPCW-QMMMGPOBSA-N -1 3 275.324 2.697 20 30 CFEDHM CC(C)(CC#N)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000457999069 331240357 /nfs/dbraw/zinc/24/03/57/331240357.db2.gz YUKGYDBMDMGARW-UHFFFAOYSA-N -1 3 286.375 2.941 20 30 CFEDHM C=CCn1cccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000488597584 332019925 /nfs/dbraw/zinc/01/99/25/332019925.db2.gz PRJXHDLQMHILIQ-UHFFFAOYSA-N -1 3 256.305 2.940 20 30 CFEDHM C#C[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(F)cc1 ZINC000491484964 332219852 /nfs/dbraw/zinc/21/98/52/332219852.db2.gz LZFOCNDUYICJIZ-HNNXBMFYSA-N -1 3 283.302 2.944 20 30 CFEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc([O-])cc(F)c1 ZINC000184598092 333130382 /nfs/dbraw/zinc/13/03/82/333130382.db2.gz JFDTUZLVXHJNJD-MRXNPFEDSA-N -1 3 296.301 2.731 20 30 CFEDHM CCc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1[O-] ZINC000542821878 333843009 /nfs/dbraw/zinc/84/30/09/333843009.db2.gz KYEWYOXRRLWBMD-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM Cc1ncc(C([O-])=C(C#N)c2ccccn2)c(C2CC2)n1 ZINC000547387298 334085038 /nfs/dbraw/zinc/08/50/38/334085038.db2.gz YBSXDJMMTGJDFU-LBPRGKRZSA-N -1 3 278.315 2.548 20 30 CFEDHM CCOc1cc(-c2noc([C@]3(C#N)C[C@H]3C)n2)ccc1[O-] ZINC000351100755 335567410 /nfs/dbraw/zinc/56/74/10/335567410.db2.gz VYXKOCMWZHSVBG-PSLIRLAXSA-N -1 3 285.303 2.642 20 30 CFEDHM C=C(C)CN(CC)CCOc1cccc(C(=O)[O-])c1 ZINC000382491424 336091825 /nfs/dbraw/zinc/09/18/25/336091825.db2.gz DXCKZCNIININGF-UHFFFAOYSA-N -1 3 263.337 2.662 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCC1 ZINC000178544794 533967513 /nfs/dbraw/zinc/96/75/13/533967513.db2.gz QQUJZADKRSATTK-JTQLQIEISA-N -1 3 296.367 2.554 20 30 CFEDHM CC(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156013610 519664264 /nfs/dbraw/zinc/66/42/64/519664264.db2.gz YJFZLRVLSFCQNZ-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227301550 520538627 /nfs/dbraw/zinc/53/86/27/520538627.db2.gz POPNHIZRYGXYAM-SNVBAGLBSA-N -1 3 298.795 2.536 20 30 CFEDHM COc1cc(C(=O)Nc2cccc(C#N)c2)ccc1[O-] ZINC000082262023 522159081 /nfs/dbraw/zinc/15/90/81/522159081.db2.gz HDDNHDKEHKCOBJ-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)[C@H](C)c2cccc(C#N)c2)n1 ZINC000360779259 525357006 /nfs/dbraw/zinc/35/70/06/525357006.db2.gz FJWYPQLXUHDWOL-LLVKDONJSA-N -1 3 281.315 2.710 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cccc(C#N)c2)c1 ZINC000048860457 525360318 /nfs/dbraw/zinc/36/03/18/525360318.db2.gz SFKZJJRHTCBRCI-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM C=C(C[N-]S(=O)(=O)c1ccc(C)o1)c1ccccc1 ZINC000344969786 526883102 /nfs/dbraw/zinc/88/31/02/526883102.db2.gz YULVTUAGPYIKPU-UHFFFAOYSA-N -1 3 277.345 2.580 20 30 CFEDHM CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000178520902 527688713 /nfs/dbraw/zinc/68/87/13/527688713.db2.gz WMUGZRPITHZUQK-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)c1 ZINC000744029973 574049996 /nfs/dbraw/zinc/04/99/96/574049996.db2.gz YQYNAIOQPJYZRG-NPQIQWPPSA-N -1 3 268.316 2.609 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000753885345 574053175 /nfs/dbraw/zinc/05/31/75/574053175.db2.gz NTLVPVDZINXHRX-BHQBQGQWSA-N -1 3 287.359 2.777 20 30 CFEDHM CCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736447165 574054174 /nfs/dbraw/zinc/05/41/74/574054174.db2.gz RNEBSRLOEXFZEE-UHFFFAOYSA-N -1 3 288.355 2.561 20 30 CFEDHM CCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736447165 574054178 /nfs/dbraw/zinc/05/41/78/574054178.db2.gz RNEBSRLOEXFZEE-UHFFFAOYSA-N -1 3 288.355 2.561 20 30 CFEDHM C=CCC[C@@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000756391745 574100625 /nfs/dbraw/zinc/10/06/25/574100625.db2.gz ZPOFJVPBYJIBEH-CYBMUJFWSA-N -1 3 283.755 2.858 20 30 CFEDHM CCOc1ccc(/C=N\C[C@@]2(C)CCCO2)c([O-])c1 ZINC000755031755 574133469 /nfs/dbraw/zinc/13/34/69/574133469.db2.gz OIGHLUXNEPYTRU-CCAPLTMGSA-N -1 3 263.337 2.779 20 30 CFEDHM COc1cccc([C@@H](O)C/N=C\c2ccccc2[O-])c1 ZINC000731937630 574135630 /nfs/dbraw/zinc/13/56/30/574135630.db2.gz LDYBZBOLYRBSTH-IUPCOXQMSA-N -1 3 271.316 2.553 20 30 CFEDHM Cc1cccc(C=NNc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737392569 574138597 /nfs/dbraw/zinc/13/85/97/574138597.db2.gz YVPXCCDTUXYRLO-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737392569 574138598 /nfs/dbraw/zinc/13/85/98/574138598.db2.gz YVPXCCDTUXYRLO-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM C#CCN(CC)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000746456702 574149685 /nfs/dbraw/zinc/14/96/85/574149685.db2.gz GAVALELUIUCGBE-UHFFFAOYSA-N -1 3 285.343 2.516 20 30 CFEDHM COc1cc([N+](=O)[O-])ccc1NN=Cc1ccccc1[O-] ZINC000746679362 574161820 /nfs/dbraw/zinc/16/18/20/574161820.db2.gz FFKAUOHYEHTUFA-UHFFFAOYSA-N -1 3 287.275 2.755 20 30 CFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000755441923 574162034 /nfs/dbraw/zinc/16/20/34/574162034.db2.gz JNDQFARPJWIBAQ-DANTVBBOSA-N -1 3 296.367 2.654 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000755441925 574162148 /nfs/dbraw/zinc/16/21/48/574162148.db2.gz JNDQFARPJWIBAQ-HSBSLETESA-N -1 3 296.367 2.654 20 30 CFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000755442927 574162735 /nfs/dbraw/zinc/16/27/35/574162735.db2.gz MRGSZKJTHIYXAS-VFNNOXKTSA-N -1 3 278.377 2.515 20 30 CFEDHM Cc1ncc(CO)c(/C=N\Cc2cc3ccccc3[nH]2)c1[O-] ZINC000746680999 574162910 /nfs/dbraw/zinc/16/29/10/574162910.db2.gz CFMZCBTXQGYHRB-NVMNQCDNSA-N -1 3 295.342 2.688 20 30 CFEDHM Cc1ccc(F)c2c1C(=NNCc1ccccc1)C(=O)[N-]2 ZINC000732711550 574166734 /nfs/dbraw/zinc/16/67/34/574166734.db2.gz PJNZAVBHMQSFKO-UHFFFAOYSA-N -1 3 283.306 2.580 20 30 CFEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1ccc([O-])c(F)c1 ZINC000755519354 574166969 /nfs/dbraw/zinc/16/69/69/574166969.db2.gz TVERBFKJIMDWOB-UHFFFAOYSA-N -1 3 294.355 2.591 20 30 CFEDHM CCCCCNC(=S)NN=Cc1ccc([O-])c(F)c1 ZINC000755586720 574169332 /nfs/dbraw/zinc/16/93/32/574169332.db2.gz MMSMDZFRVHEZBE-UHFFFAOYSA-N -1 3 283.372 2.520 20 30 CFEDHM Cn1c2ccccc2nc1NN=Cc1cccc(F)c1[O-] ZINC000755649194 574174708 /nfs/dbraw/zinc/17/47/08/574174708.db2.gz UTCGYQRETCYKIR-UHFFFAOYSA-N -1 3 284.294 2.864 20 30 CFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccc([O-])cn1 ZINC000755651796 574175450 /nfs/dbraw/zinc/17/54/50/574175450.db2.gz ZMBFAVGGRMLAPY-UHFFFAOYSA-N -1 3 292.682 2.795 20 30 CFEDHM COc1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1C#N ZINC000747065233 574177875 /nfs/dbraw/zinc/17/78/75/574177875.db2.gz VRELFZDWXJSMKS-UHFFFAOYSA-N -1 3 296.326 2.511 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C/C=C/c2ccccc2)c1[O-] ZINC000732925983 574178391 /nfs/dbraw/zinc/17/83/91/574178391.db2.gz IOARQBKILITOBQ-ZMCAKAGVSA-N -1 3 282.343 2.720 20 30 CFEDHM [O-]c1ccc(CN=Nc2nc(C(F)(F)F)cs2)nc1 ZINC000755769997 574186190 /nfs/dbraw/zinc/18/61/90/574186190.db2.gz IPMUTODRBRSLNY-UHFFFAOYSA-N -1 3 288.254 2.709 20 30 CFEDHM CCOc1ccc(/C=N/C[C@@]2(C)CCOC2)c([O-])c1 ZINC000733081178 574187174 /nfs/dbraw/zinc/18/71/74/574187174.db2.gz QEGDAEOXIRKWSJ-INQNZLQJSA-N -1 3 263.337 2.636 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NO[C@H]1CCCCO1 ZINC000755820749 574189996 /nfs/dbraw/zinc/18/99/96/574189996.db2.gz FDRBOIKYIATPBB-LBPRGKRZSA-N -1 3 255.701 2.923 20 30 CFEDHM N#Cc1ccc([C@H](NCc2ccsc2)C(=O)[O-])cc1 ZINC000739107030 574198914 /nfs/dbraw/zinc/19/89/14/574198914.db2.gz OOLKSNYLAIKLKK-ZDUSSCGKSA-N -1 3 272.329 2.535 20 30 CFEDHM CCOc1ccc(/C=N/CCc2nccs2)c([O-])c1 ZINC000747614697 574203101 /nfs/dbraw/zinc/20/31/01/574203101.db2.gz LZSQFDYRZVMRNW-XNTDXEJSSA-N -1 3 276.361 2.909 20 30 CFEDHM CCOc1ccc(/C=N/Cc2cscn2)c([O-])c1 ZINC000747615514 574203362 /nfs/dbraw/zinc/20/33/62/574203362.db2.gz YEACCDGWVBGGEO-MKMNVTDBSA-N -1 3 262.334 2.867 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)c1ccsc1 ZINC000739427577 574213241 /nfs/dbraw/zinc/21/32/41/574213241.db2.gz VMDFXEUJXSWUFY-BKNIFWKGSA-N -1 3 277.345 2.615 20 30 CFEDHM C=CCC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000756379465 574230800 /nfs/dbraw/zinc/23/08/00/574230800.db2.gz MRMQFADQUALULU-LBPRGKRZSA-N -1 3 298.726 2.757 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2(CC(C)C)CC2)c1[O-] ZINC000756771994 574261556 /nfs/dbraw/zinc/26/15/56/574261556.db2.gz DBEFWOMAWQSUPB-CAOOACKPSA-N -1 3 276.380 2.833 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741166119 574282604 /nfs/dbraw/zinc/28/26/04/574282604.db2.gz WEMOICYLXHMTBQ-GLJNUHIHSA-N -1 3 275.348 2.633 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)C2CCCCC2)c1[O-] ZINC000741466294 574291773 /nfs/dbraw/zinc/29/17/73/574291773.db2.gz LSUZDZZMNKOODL-HCGGYXKBSA-N -1 3 276.380 2.976 20 30 CFEDHM C=CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1ccncc1 ZINC000734555505 574292588 /nfs/dbraw/zinc/29/25/88/574292588.db2.gz VSHUOLABRDKONI-OAHLLOKOSA-N -1 3 298.342 2.843 20 30 CFEDHM O=C(Cc1csc(-c2ccccc2Cl)n1)N[O-] ZINC000743798017 574309662 /nfs/dbraw/zinc/30/96/62/574309662.db2.gz XRKZYCMTDIHCSE-UHFFFAOYSA-N -1 3 268.725 2.511 20 30 CFEDHM C=CCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735412962 574322570 /nfs/dbraw/zinc/32/25/70/574322570.db2.gz NKLPXUKTZDHLRE-UHFFFAOYSA-N -1 3 283.257 2.874 20 30 CFEDHM C=CCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735412962 574322572 /nfs/dbraw/zinc/32/25/72/574322572.db2.gz NKLPXUKTZDHLRE-UHFFFAOYSA-N -1 3 283.257 2.874 20 30 CFEDHM CC(=NO[C@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000755818563 574347293 /nfs/dbraw/zinc/34/72/93/574347293.db2.gz CNUSQLAFCWDNEE-ZDUSSCGKSA-N -1 3 253.273 2.799 20 30 CFEDHM CC(=NO[C@@H]1CCCCO1)c1cc(F)ccc1[O-] ZINC000755818554 574347526 /nfs/dbraw/zinc/34/75/26/574347526.db2.gz CNUSQLAFCWDNEE-CYBMUJFWSA-N -1 3 253.273 2.799 20 30 CFEDHM C=CCCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736102114 574349953 /nfs/dbraw/zinc/34/99/53/574349953.db2.gz ALJSWJIYHPLTBG-CQSZACIVSA-N -1 3 288.391 2.862 20 30 CFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)cc1 ZINC000750923175 574363355 /nfs/dbraw/zinc/36/33/55/574363355.db2.gz UXWKBLDPVZUVMR-UHFFFAOYSA-N -1 3 299.305 2.911 20 30 CFEDHM CCC(C=N[N-]S(=O)(=O)CCc1ccccc1)CC ZINC000743448590 574364760 /nfs/dbraw/zinc/36/47/60/574364760.db2.gz WPFYZRULKCVCIB-UHFFFAOYSA-N -1 3 282.409 2.571 20 30 CFEDHM CC1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)CC1 ZINC000743448366 574365039 /nfs/dbraw/zinc/36/50/39/574365039.db2.gz LQXFZCVQXLPBHY-UHFFFAOYSA-N -1 3 294.420 2.715 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H](C)c1ccccn1 ZINC000743539272 574368243 /nfs/dbraw/zinc/36/82/43/574368243.db2.gz ZDBLZUNOPAOFLR-MTUBTWAWSA-N -1 3 256.305 2.976 20 30 CFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])C=CC1CC1 ZINC000744025152 574375837 /nfs/dbraw/zinc/37/58/37/574375837.db2.gz HMOMFLDUPZQMAX-UJYKQDJBSA-N -1 3 288.734 2.954 20 30 CFEDHM C[C@H](NC(=S)NN=Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000751528416 574378387 /nfs/dbraw/zinc/37/83/87/574378387.db2.gz CLOHIWYKWFVYQB-QMMMGPOBSA-N -1 3 297.811 2.642 20 30 CFEDHM COc1cccc([O-])c1/C=N\CC(=O)OC1CCCCC1 ZINC000751890462 574384324 /nfs/dbraw/zinc/38/43/24/574384324.db2.gz NARWXJGRXKNCLM-YVLHZVERSA-N -1 3 291.347 2.696 20 30 CFEDHM CCOC(=O)[C@H](CC1CC1)/N=C\c1ccccc1[O-] ZINC000751890573 574384410 /nfs/dbraw/zinc/38/44/10/574384410.db2.gz OTMMADZLCQQCMF-ATTDUZETSA-N -1 3 261.321 2.543 20 30 CFEDHM C[C@H](OC(=O)c1ccc(C#N)[n-]1)c1cccc(C#N)c1 ZINC000752493435 574391944 /nfs/dbraw/zinc/39/19/44/574391944.db2.gz RKVGBVRANMFBGZ-JTQLQIEISA-N -1 3 265.272 2.676 20 30 CFEDHM N#Cc1ccc(C(=O)O[C@@H]2CCc3ccc(F)cc32)[n-]1 ZINC000752511358 574392260 /nfs/dbraw/zinc/39/22/60/574392260.db2.gz ABUPLBIAXGDBFH-CQSZACIVSA-N -1 3 270.263 2.870 20 30 CFEDHM CC(C)c1cccc(COC(=O)c2ccc(C#N)[n-]2)n1 ZINC000752518970 574392300 /nfs/dbraw/zinc/39/23/00/574392300.db2.gz ZXNVEVFZYDQHJS-UHFFFAOYSA-N -1 3 269.304 2.762 20 30 CFEDHM CC(N=NCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000819772637 607253582 /nfs/dbraw/zinc/25/35/82/607253582.db2.gz HUUZQFWRQYKBTD-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CC(N=NCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000819772637 607253583 /nfs/dbraw/zinc/25/35/83/607253583.db2.gz HUUZQFWRQYKBTD-UHFFFAOYSA-N -1 3 298.394 2.913 20 30 CFEDHM CCCCC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821040165 607253994 /nfs/dbraw/zinc/25/39/94/607253994.db2.gz JFJVDBLYHGJUSY-UHFFFAOYSA-N -1 3 272.356 2.522 20 30 CFEDHM CCCCC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821040165 607253995 /nfs/dbraw/zinc/25/39/95/607253995.db2.gz JFJVDBLYHGJUSY-UHFFFAOYSA-N -1 3 272.356 2.522 20 30 CFEDHM CC[C@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820972275 607254485 /nfs/dbraw/zinc/25/44/85/607254485.db2.gz MBKDEBHYIIEHSA-LBPRGKRZSA-N -1 3 284.367 2.522 20 30 CFEDHM CC[C@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820972275 607254486 /nfs/dbraw/zinc/25/44/86/607254486.db2.gz MBKDEBHYIIEHSA-LBPRGKRZSA-N -1 3 284.367 2.522 20 30 CFEDHM C=C(CC)COc1ccc(-c2nnn[n-]2)cc1OCC ZINC000823877946 608289021 /nfs/dbraw/zinc/28/90/21/608289021.db2.gz KNFXRQZTZSCZKJ-UHFFFAOYSA-N -1 3 274.324 2.610 20 30 CFEDHM C=C(CC)COc1ccc(-c2nn[n-]n2)cc1OCC ZINC000823877946 608289022 /nfs/dbraw/zinc/28/90/22/608289022.db2.gz KNFXRQZTZSCZKJ-UHFFFAOYSA-N -1 3 274.324 2.610 20 30 CFEDHM Cc1cncc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000900095650 620637108 /nfs/dbraw/zinc/63/71/08/620637108.db2.gz ICTZFHKDBPQEIT-UHFFFAOYSA-N -1 3 260.268 2.561 20 30 CFEDHM O=C(c1ccc2c(c1)OCO2)N([O-])Cc1ccc(F)cc1 ZINC000900095381 620637247 /nfs/dbraw/zinc/63/72/47/620637247.db2.gz AYJMMLXQACNRSJ-UHFFFAOYSA-N -1 3 289.262 2.586 20 30 CFEDHM Cc1nc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000900095583 620637308 /nfs/dbraw/zinc/63/73/08/620637308.db2.gz FYTFXJPODBGNEJ-UHFFFAOYSA-N -1 3 280.324 2.931 20 30 CFEDHM CS[C@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095802 620637315 /nfs/dbraw/zinc/63/73/15/620637315.db2.gz KDCAJSOJXRLZFO-SECBINFHSA-N -1 3 257.330 2.685 20 30 CFEDHM C=CCCCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000819739680 599386014 /nfs/dbraw/zinc/38/60/14/599386014.db2.gz CRACOLNTKJUBGW-UHFFFAOYSA-N -1 3 258.325 2.829 20 30 CFEDHM C[C@@H](N=Cc1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820316041 599398112 /nfs/dbraw/zinc/39/81/12/599398112.db2.gz RMJLMIBTXOOBCB-VBYYMIJXSA-N -1 3 293.330 2.752 20 30 CFEDHM C[C@H](N=Cc1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820316039 599398391 /nfs/dbraw/zinc/39/83/91/599398391.db2.gz RMJLMIBTXOOBCB-MTUBTWAWSA-N -1 3 293.330 2.752 20 30 CFEDHM CN(Cc1cccc(C#N)c1)Cc1ccccc1C(=O)[O-] ZINC000061953798 600555822 /nfs/dbraw/zinc/55/58/22/600555822.db2.gz SWSVFSUEMYRPGM-UHFFFAOYSA-N -1 3 280.327 2.888 20 30 CFEDHM C=C1CCN(Cc2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC000833370081 604631614 /nfs/dbraw/zinc/63/16/14/604631614.db2.gz AUKXUIVCWFVQHE-UHFFFAOYSA-N -1 3 289.375 2.919 20 30 CFEDHM C[C@H](CNC(=O)[O-])N(C)Cc1ccccc1C(C)(C)C#N ZINC000824966318 605277440 /nfs/dbraw/zinc/27/74/40/605277440.db2.gz DDAGMBJXQVVFTD-GFCCVEGCSA-N -1 3 289.379 2.576 20 30 CFEDHM CCCC[C@H](CNC(=O)[O-])NCc1ccc(C#N)cc1F ZINC000826814886 605514935 /nfs/dbraw/zinc/51/49/35/605514935.db2.gz OXRJLCGOAPGZLC-CYBMUJFWSA-N -1 3 293.342 2.613 20 30 CFEDHM CC1(C#N)CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000226318595 605679255 /nfs/dbraw/zinc/67/92/55/605679255.db2.gz VGSSDPIASXUXFW-UHFFFAOYSA-N -1 3 258.321 2.510 20 30 CFEDHM CC(C)(C#N)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819891582 606170569 /nfs/dbraw/zinc/17/05/69/606170569.db2.gz BRKDJKONTWZXFG-UHFFFAOYSA-N -1 3 271.324 2.575 20 30 CFEDHM CC(C)(C#N)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819891582 606170572 /nfs/dbraw/zinc/17/05/72/606170572.db2.gz BRKDJKONTWZXFG-UHFFFAOYSA-N -1 3 271.324 2.575 20 30 CFEDHM C=C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819729968 606802422 /nfs/dbraw/zinc/80/24/22/606802422.db2.gz OHJPVPAQZPPXEM-SSDOTTSWSA-N -1 3 283.257 2.872 20 30 CFEDHM C=C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819729968 606802424 /nfs/dbraw/zinc/80/24/24/606802424.db2.gz OHJPVPAQZPPXEM-SSDOTTSWSA-N -1 3 283.257 2.872 20 30 CFEDHM C#CCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823846019 607844302 /nfs/dbraw/zinc/84/43/02/607844302.db2.gz XOSCCAPRBXFBJB-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM C#CCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823846019 607844301 /nfs/dbraw/zinc/84/43/01/607844301.db2.gz XOSCCAPRBXFBJB-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM C=CCCOCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000823899218 607934785 /nfs/dbraw/zinc/93/47/85/607934785.db2.gz QEXCSGUVMLFFLX-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=CCCOCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000823899218 607934786 /nfs/dbraw/zinc/93/47/86/607934786.db2.gz QEXCSGUVMLFFLX-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM CSCC(=O)N([O-])CCCCc1ccccc1 ZINC000904201607 621549475 /nfs/dbraw/zinc/54/94/75/621549475.db2.gz WRSGUZUKTOIDSS-UHFFFAOYSA-N -1 3 253.367 2.590 20 30 CFEDHM C[C@@H]1CCC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824925592 608533765 /nfs/dbraw/zinc/53/37/65/608533765.db2.gz FMTPLJOYZXGLLX-OCCSQVGLSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925592 608533767 /nfs/dbraw/zinc/53/37/67/608533767.db2.gz FMTPLJOYZXGLLX-OCCSQVGLSA-N -1 3 298.394 2.768 20 30 CFEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400951 609274838 /nfs/dbraw/zinc/27/48/38/609274838.db2.gz LSOAKPMXOPXNIZ-TWGQIWQCSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400951 609274840 /nfs/dbraw/zinc/27/48/40/609274840.db2.gz LSOAKPMXOPXNIZ-TWGQIWQCSA-N -1 3 294.289 2.902 20 30 CFEDHM Cc1c(NCc2ccc(C#N)s2)cccc1-c1nnn[n-]1 ZINC000826242360 609489179 /nfs/dbraw/zinc/48/91/79/609489179.db2.gz LQZGWXXCCXDSDH-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM Cc1c(NCc2ccc(C#N)s2)cccc1-c1nn[n-]n1 ZINC000826242360 609489180 /nfs/dbraw/zinc/48/91/80/609489180.db2.gz LQZGWXXCCXDSDH-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM C=C(C)CNN=Cc1ccc(OC)c([O-])c1Br ZINC000811650767 617662180 /nfs/dbraw/zinc/66/21/80/617662180.db2.gz PBTSHHUUGFITAK-UHFFFAOYSA-N -1 3 299.168 2.663 20 30 CFEDHM C#C[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000890657280 617743021 /nfs/dbraw/zinc/74/30/21/617743021.db2.gz MZDSRBFMXVRZIN-LLVKDONJSA-N -1 3 275.373 2.742 20 30 CFEDHM COc1cc(F)c(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000255123601 617975126 /nfs/dbraw/zinc/97/51/26/617975126.db2.gz NAIGSFCQUOCKQC-UHFFFAOYSA-N -1 3 295.241 2.841 20 30 CFEDHM CC(=NNCCC(F)(F)F)c1ccc(F)c([O-])c1 ZINC000901234931 620769055 /nfs/dbraw/zinc/76/90/55/620769055.db2.gz AVSQNOFNPZCBAW-UHFFFAOYSA-N -1 3 264.222 2.797 20 30 CFEDHM CC(C)(C)n1ccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901372870 620797847 /nfs/dbraw/zinc/79/78/47/620797847.db2.gz ORXJFZAFNRAKTN-UHFFFAOYSA-N -1 3 291.326 2.809 20 30 CFEDHM Cn1cc(Cl)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376812 620798481 /nfs/dbraw/zinc/79/84/81/620798481.db2.gz YKTWZJHDPJGRIY-UHFFFAOYSA-N -1 3 282.702 2.849 20 30 CFEDHM O=C([C@@H]1Cc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901376624 620798695 /nfs/dbraw/zinc/79/86/95/620798695.db2.gz WHDIUPWSQFURNF-OAHLLOKOSA-N -1 3 271.291 2.883 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccc(SCC)cc1 ZINC000856034099 618425006 /nfs/dbraw/zinc/42/50/06/618425006.db2.gz GQVIJDVEAHKHRT-UHFFFAOYSA-N -1 3 265.378 2.965 20 30 CFEDHM N#Cc1ccccc1/C=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC000178292828 618736051 /nfs/dbraw/zinc/73/60/51/618736051.db2.gz CBTPAHJNJHDGTE-SOFGYWHQSA-N -1 3 296.301 2.733 20 30 CFEDHM CC[C@@H](NCC1(C#N)CC1)c1cccc(C#N)c1[O-] ZINC000926872802 618777210 /nfs/dbraw/zinc/77/72/10/618777210.db2.gz AZVWXJZAXJTBLR-CYBMUJFWSA-N -1 3 255.321 2.608 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2CS[C@@H](C(C)(C)C)C2)n1 ZINC000814681306 619254694 /nfs/dbraw/zinc/25/46/94/619254694.db2.gz FZLSYBXEXXIPMC-SNVBAGLBSA-N -1 3 280.397 2.810 20 30 CFEDHM N#C[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000928219704 619323812 /nfs/dbraw/zinc/32/38/12/619323812.db2.gz ZVBCVPHLVWPWRB-ZDUSSCGKSA-N -1 3 290.338 2.616 20 30 CFEDHM C#CCC1(O)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000895669571 619582369 /nfs/dbraw/zinc/58/23/69/619582369.db2.gz FQPKNLBCJDRSSY-UHFFFAOYSA-N -1 3 297.757 2.535 20 30 CFEDHM N#C[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000896506294 619753185 /nfs/dbraw/zinc/75/31/85/619753185.db2.gz UQYQRCCEAGBPAT-SNVBAGLBSA-N -1 3 295.180 2.890 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCOC12CCOCC2 ZINC000899231722 620533888 /nfs/dbraw/zinc/53/38/88/620533888.db2.gz GJOJEKHSFRMJQW-FBJMNJBLSA-N -1 3 295.766 2.803 20 30 CFEDHM C=CC[C@@H]1N(Cc2cc(C(=O)[O-])no2)CCCC1(C)C ZINC000902545863 621124423 /nfs/dbraw/zinc/12/44/23/621124423.db2.gz MWRTYSZHVOJGDC-ZDUSSCGKSA-N -1 3 278.352 2.940 20 30 CFEDHM C[C@H](NCC1(C#N)CCC1)c1cccc(C#N)c1[O-] ZINC000903035153 621230836 /nfs/dbraw/zinc/23/08/36/621230836.db2.gz JNBGLKWZUPICSQ-NSHDSACASA-N -1 3 255.321 2.608 20 30 CFEDHM CC[C@@H](NCc1nc(C#N)cs1)c1cccc(C#N)c1[O-] ZINC000903262562 621303567 /nfs/dbraw/zinc/30/35/67/621303567.db2.gz FMHAZZNUOIFNDW-CYBMUJFWSA-N -1 3 298.371 2.833 20 30 CFEDHM CC#CC[C@@H](NCc1c(Cl)cccc1CC)C(=O)[O-] ZINC000904058584 621513118 /nfs/dbraw/zinc/51/31/18/621513118.db2.gz NSDNTPGEDKXXFG-CQSZACIVSA-N -1 3 279.767 2.859 20 30 CFEDHM CSCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187533 621538789 /nfs/dbraw/zinc/53/87/89/621538789.db2.gz NPQPMIFYJXXYGL-UHFFFAOYSA-N -1 3 259.758 2.811 20 30 CFEDHM CC[C@H](SC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172766 621541754 /nfs/dbraw/zinc/54/17/54/621541754.db2.gz BOVKUDDQMQGUBO-NSHDSACASA-N -1 3 257.330 2.685 20 30 CFEDHM CCC(C)(C)OCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177837 621543153 /nfs/dbraw/zinc/54/31/53/621543153.db2.gz PMJCKCAPTZNYDZ-UHFFFAOYSA-N -1 3 269.316 2.749 20 30 CFEDHM CO[C@@H]1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904178122 621543595 /nfs/dbraw/zinc/54/35/95/621543595.db2.gz ZJXCHPSYPKFZGS-TZMCWYRMSA-N -1 3 281.327 2.749 20 30 CFEDHM CCOC(=O)C(C)(C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177979 621543627 /nfs/dbraw/zinc/54/36/27/621543627.db2.gz VJCKYEGKXQXMMI-UHFFFAOYSA-N -1 3 297.326 2.523 20 30 CFEDHM CCCCN([O-])C(=O)CSc1ccc2c(c1)OCCO2 ZINC000904206970 621544094 /nfs/dbraw/zinc/54/40/94/621544094.db2.gz NKWSRYSWHCBXGV-UHFFFAOYSA-N -1 3 297.376 2.568 20 30 CFEDHM CCCCCCN([O-])C(=O)Cn1ccc(C(F)F)n1 ZINC000904206924 621544135 /nfs/dbraw/zinc/54/41/35/621544135.db2.gz MGFUGJJIMMXNLA-UHFFFAOYSA-N -1 3 275.299 2.619 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cc(CC)c[nH]c1=O ZINC000904206738 621544155 /nfs/dbraw/zinc/54/41/55/621544155.db2.gz GDQMWEJILDEAMZ-UHFFFAOYSA-N -1 3 266.341 2.761 20 30 CFEDHM CCCCN([O-])C(=O)c1cc2ccccc2[nH]c1=O ZINC000904207840 621544443 /nfs/dbraw/zinc/54/44/43/621544443.db2.gz DUTKLXQKPQDEDH-UHFFFAOYSA-N -1 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CC(=NN=c1cc[n-]n1C)c1ccc(N2CCCCC2)cc1 ZINC000774413610 627922354 /nfs/dbraw/zinc/92/23/54/627922354.db2.gz VAIHKNOJZPSFSJ-UHFFFAOYSA-N -1 3 297.406 2.668 20 30 CFEDHM CC(CC(C)(C)c1ccccc1)=NN=c1cc[n-]n1C ZINC000774416042 627922522 /nfs/dbraw/zinc/92/25/22/627922522.db2.gz ZMEIHFVOLXXVEM-UHFFFAOYSA-N -1 3 270.380 2.998 20 30 CFEDHM CCOCCON=C(C)c1cc(Cl)ccc1[O-] ZINC000774422220 627923921 /nfs/dbraw/zinc/92/39/21/627923921.db2.gz JTHDOMGESGHJQT-UHFFFAOYSA-N -1 3 257.717 2.823 20 30 CFEDHM C#C[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000775386526 628018012 /nfs/dbraw/zinc/01/80/12/628018012.db2.gz YQDVFHXBUJSMHS-LBPRGKRZSA-N -1 3 281.311 2.936 20 30 CFEDHM N#Cc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)c(F)c1 ZINC000776278649 628126098 /nfs/dbraw/zinc/12/60/98/628126098.db2.gz COLZXOMVLFTLGR-UHFFFAOYSA-N -1 3 296.257 2.632 20 30 CFEDHM CC1(C)C[C@@H](NN=Cc2c([O-])cccc2Cl)CCO1 ZINC000780252094 628445836 /nfs/dbraw/zinc/44/58/36/628445836.db2.gz YXERJEKRWLZXCR-JTQLQIEISA-N -1 3 282.771 2.927 20 30 CFEDHM 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C=C(C)CO[N-]C(=O)Cc1cccc(Br)c1 ZINC000846539316 632728735 /nfs/dbraw/zinc/72/87/35/632728735.db2.gz FMSJRRUFJRSAGP-UHFFFAOYSA-N -1 3 284.153 2.616 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc(CC)cc1 ZINC000846540939 632729410 /nfs/dbraw/zinc/72/94/10/632729410.db2.gz MFIYYKQXFYCMJV-UHFFFAOYSA-N -1 3 275.348 2.836 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000846540746 632729425 /nfs/dbraw/zinc/72/94/25/632729425.db2.gz IWEAKQRYBMZHIL-SECBINFHSA-N -1 3 273.254 2.870 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccc(C)cc1 ZINC000846540930 632729553 /nfs/dbraw/zinc/72/95/53/632729553.db2.gz BWHJNEVYDMMMAK-ZDUSSCGKSA-N -1 3 263.337 2.776 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000846540747 632729624 /nfs/dbraw/zinc/72/96/24/632729624.db2.gz IWEAKQRYBMZHIL-VIFPVBQESA-N -1 3 273.254 2.870 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1Cl ZINC000846540718 632729976 /nfs/dbraw/zinc/72/99/76/632729976.db2.gz HSZFZNIATAEURJ-UHFFFAOYSA-N -1 3 253.729 2.897 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)Cc1ccccc1OC ZINC000846545449 632734290 /nfs/dbraw/zinc/73/42/90/632734290.db2.gz OJFYEULNYSZWRT-QWHCGFSZSA-N -1 3 277.364 2.886 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000846551166 632738897 /nfs/dbraw/zinc/73/88/97/632738897.db2.gz RIIUWJODFKOYJJ-LLVKDONJSA-N -1 3 258.321 2.641 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000846663297 632767907 /nfs/dbraw/zinc/76/79/07/632767907.db2.gz RMGISLZUZWPEDT-HNNXBMFYSA-N -1 3 275.348 2.900 20 30 CFEDHM C=CCn1cc(CN[C@@H](CC)c2ccc(F)cc2[O-])nn1 ZINC000818346170 632835392 /nfs/dbraw/zinc/83/53/92/632835392.db2.gz AIOMBYWOVGSELI-AWEZNQCLSA-N -1 3 290.342 2.550 20 30 CFEDHM C#CCOc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000108186676 633482538 /nfs/dbraw/zinc/48/25/38/633482538.db2.gz CDOUHTDVBVRLEG-UHFFFAOYSA-N -1 3 297.310 2.665 20 30 CFEDHM C[C@@H]1CN(CC/N=C/c2cc(Cl)ccc2[O-])[C@H](C)CO1 ZINC000849170433 633577928 /nfs/dbraw/zinc/57/79/28/633577928.db2.gz PAIYDRHWCLETAK-HVWABSDWSA-N -1 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/nfs/dbraw/zinc/76/74/00/643767400.db2.gz FTAWULOQJNKWOS-UHFFFAOYSA-N -1 3 298.346 2.568 20 30 CFEDHM CCN(CCC#N)Cc1cccc(Br)c1[O-] ZINC000127642248 644220507 /nfs/dbraw/zinc/22/05/07/644220507.db2.gz KSUWVRROJIIIEF-UHFFFAOYSA-N -1 3 283.169 2.890 20 30 CFEDHM C=CCCCSCCC[N-]C(=O)C(F)(F)F ZINC000091618261 650904102 /nfs/dbraw/zinc/90/41/02/650904102.db2.gz OGSPUYXPSHWIJF-UHFFFAOYSA-N -1 3 255.305 2.754 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C1CC1 ZINC000128386791 644677967 /nfs/dbraw/zinc/67/79/67/644677967.db2.gz QINDSVVDDXBWIT-GFCCVEGCSA-N -1 3 294.301 2.595 20 30 CFEDHM N#CCCSCc1nnc(-c2ccccc2[O-])o1 ZINC000882177218 645232703 /nfs/dbraw/zinc/23/27/03/645232703.db2.gz LRJUSAIVBYODGQ-UHFFFAOYSA-N -1 3 261.306 2.589 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2(CC3CC3)CC2)c1[O-] ZINC000887268558 647255555 /nfs/dbraw/zinc/25/55/55/647255555.db2.gz OOXRIBDNCOZQEJ-CAOOACKPSA-N -1 3 274.364 2.587 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2CCC=CCC2)c1[O-] ZINC000887272912 647258537 /nfs/dbraw/zinc/25/85/37/647258537.db2.gz YHKLQTITMCSSME-RQZCQDPDSA-N -1 3 260.337 2.506 20 30 CFEDHM C=CCCC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC000890474400 647807725 /nfs/dbraw/zinc/80/77/25/647807725.db2.gz MMGDOUAETIVALD-UHFFFAOYSA-N -1 3 287.319 2.644 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)NCc1c([O-])cccc1F ZINC000928708306 648945574 /nfs/dbraw/zinc/94/55/74/648945574.db2.gz JTTPPXSHURFCHK-AWEZNQCLSA-N -1 3 251.301 2.750 20 30 CFEDHM C=CCCCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934279055 649768338 /nfs/dbraw/zinc/76/83/38/649768338.db2.gz JYQPCSPMPUTZRK-GFCCVEGCSA-N -1 3 277.368 2.684 20 30 CFEDHM CC(C)n1ncc(C#N)c1Nc1ccc(F)cc1[O-] ZINC001210015703 770187973 /nfs/dbraw/zinc/18/79/73/770187973.db2.gz MXRXQRRTPHSLNV-UHFFFAOYSA-N -1 3 260.272 2.924 20 30 CFEDHM C[C@H]1CC(=O)C=C(Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001210769979 770361807 /nfs/dbraw/zinc/36/18/07/770361807.db2.gz XJIGCGCXQRVRCL-LLVKDONJSA-N -1 3 283.331 2.873 20 30 CFEDHM Cc1cc([O-])cc(Nc2nc(C)c(C#N)cc2C#N)c1 ZINC001215509551 770497535 /nfs/dbraw/zinc/49/75/35/770497535.db2.gz KHLIYSLIAXEALO-UHFFFAOYSA-N -1 3 264.288 2.891 20 30 CFEDHM N#C[C@H]1CCN(Cc2cccc([O-])c2Br)C1 ZINC001140550062 770877788 /nfs/dbraw/zinc/87/77/88/770877788.db2.gz CUYWMWWSWASOQR-SECBINFHSA-N -1 3 281.153 2.500 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCC(F)F ZINC000588564442 773212045 /nfs/dbraw/zinc/21/20/45/773212045.db2.gz JDIPQYAZRUQJSI-UUASQNMZSA-N -1 3 263.671 2.746 20 30 CFEDHM CCCCCCCCOC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000125992865 773255481 /nfs/dbraw/zinc/25/54/81/773255481.db2.gz GBIGHQYBYDDBJO-UHFFFAOYSA-N -1 3 294.395 2.833 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C(C)C)C(F)(F)F)[n-]1 ZINC001225467838 775466782 /nfs/dbraw/zinc/46/67/82/775466782.db2.gz YPZZOOQWAFULMF-JTQLQIEISA-N -1 3 274.242 2.933 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)COc2ccccc2)[n-]1 ZINC001225470079 775468528 /nfs/dbraw/zinc/46/85/28/775468528.db2.gz QHSXMRLBYUFUAD-GFCCVEGCSA-N -1 3 284.315 2.814 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccccc2C#N)[n-]1 ZINC001225469102 775468582 /nfs/dbraw/zinc/46/85/82/775468582.db2.gz GWSQGOSITODIIP-LLVKDONJSA-N -1 3 279.299 2.979 20 30 CFEDHM Cc1cnc(=S)[n-]c1O[C@@H](C#N)c1cccc(F)c1 ZINC001225740957 775578591 /nfs/dbraw/zinc/57/85/91/775578591.db2.gz KXUNIVOQBOUKOC-NSHDSACASA-N -1 3 275.308 2.857 20 30 CFEDHM COCc1cc(O[C@@H](C#N)c2ccccc2)[n-]c(=S)n1 ZINC001225935495 775640952 /nfs/dbraw/zinc/64/09/52/775640952.db2.gz USKYVEFGIVZUMY-LBPRGKRZSA-N -1 3 287.344 2.555 20 30 CFEDHM Cc1c(O[C@@H](CC#N)c2ccccc2)nc[n-]c1=O ZINC001226077272 775691027 /nfs/dbraw/zinc/69/10/27/775691027.db2.gz PRADRBVOPMCWSS-LBPRGKRZSA-N -1 3 255.277 2.524 20 30 CFEDHM [O-]/N=C/c1cccc(OC2CN(Cc3ccccc3)C2)c1 ZINC001226109585 775701466 /nfs/dbraw/zinc/70/14/66/775701466.db2.gz HYPPWLKMCLCZRK-VCHYOVAHSA-N -1 3 282.343 2.758 20 30 CFEDHM CCC[C@@H](CC(=O)OCC)Oc1cccc(/C=N/[O-])c1 ZINC001226115013 775703674 /nfs/dbraw/zinc/70/36/74/775703674.db2.gz VDGKXHVRTSPPOP-XDUBLRSXSA-N -1 3 279.336 2.995 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119287 775707034 /nfs/dbraw/zinc/70/70/34/775707034.db2.gz MURAGBKSGGQFJP-BXKDBHETSA-N -1 3 260.362 2.823 20 30 CFEDHM C=C[C@H](CCCC)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226239330 775749556 /nfs/dbraw/zinc/74/95/56/775749556.db2.gz AMICEYBJNDREBO-SNVBAGLBSA-N -1 3 250.298 2.508 20 30 CFEDHM CC[C@@H](C)C[C@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226255456 775757567 /nfs/dbraw/zinc/75/75/67/775757567.db2.gz JJSLLESNSRLWPC-MGWVCDIQSA-N -1 3 251.330 2.878 20 30 CFEDHM C#C[C@@H](CC(C)C)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226261623 775761244 /nfs/dbraw/zinc/76/12/44/775761244.db2.gz UOCGALKSODBHIH-LBPRGKRZSA-N -1 3 286.331 2.776 20 30 CFEDHM C=C(C)C(=O)OC[C@@H](C)Oc1cccc([O-])c1Cl ZINC001226708575 775931715 /nfs/dbraw/zinc/93/17/15/775931715.db2.gz HHOHAANQRQMQPD-SECBINFHSA-N -1 3 270.712 2.932 20 30 CFEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944013 776027539 /nfs/dbraw/zinc/02/75/39/776027539.db2.gz CEQHMJDGWDVHFB-LLVKDONJSA-N -1 3 272.304 2.887 20 30 CFEDHM C#C[C@@H](CC(C)C)Oc1[n-]c(=S)ncc1CC ZINC001227061345 776079889 /nfs/dbraw/zinc/07/98/89/776079889.db2.gz HKWLOVQWVLCCAS-NSHDSACASA-N -1 3 250.367 2.754 20 30 CFEDHM N#Cc1ccc([O-])c(OC2Cc3ccccc3C2)c1 ZINC001227345661 776181178 /nfs/dbraw/zinc/18/11/78/776181178.db2.gz PGZLHJYIBQZPQY-UHFFFAOYSA-N -1 3 251.285 2.810 20 30 CFEDHM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227347036 776182143 /nfs/dbraw/zinc/18/21/43/776182143.db2.gz ZIXJJKWDQMXUQD-JTQLQIEISA-N -1 3 277.320 2.763 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621858 776544777 /nfs/dbraw/zinc/54/47/77/776544777.db2.gz DBFKBNVDWILVAR-SMDDNHRTSA-N -1 3 284.311 2.988 20 30 CFEDHM C=CCC[C@@H](CC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698738 776574099 /nfs/dbraw/zinc/57/40/99/776574099.db2.gz REVIVSZRGJLGLW-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCC[C@@H](CC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698738 776574105 /nfs/dbraw/zinc/57/41/05/776574105.db2.gz REVIVSZRGJLGLW-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCC[C@@H](CC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228698738 776574109 /nfs/dbraw/zinc/57/41/09/776574109.db2.gz REVIVSZRGJLGLW-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCC[C@@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700705 776576246 /nfs/dbraw/zinc/57/62/46/776576246.db2.gz WYWUSGZOQZHCEZ-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@H](CCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229338121 776783387 /nfs/dbraw/zinc/78/33/87/776783387.db2.gz ULZPVZJEYHKIAB-GFCCVEGCSA-N -1 3 288.351 2.999 20 30 CFEDHM C=CC[C@H](CCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229338121 776783391 /nfs/dbraw/zinc/78/33/91/776783391.db2.gz ULZPVZJEYHKIAB-GFCCVEGCSA-N -1 3 288.351 2.999 20 30 CFEDHM C=C[C@@H](CCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337053 776783471 /nfs/dbraw/zinc/78/34/71/776783471.db2.gz CGGOFZVRHKULTG-NSHDSACASA-N -1 3 274.324 2.609 20 30 CFEDHM C=C[C@@H](CCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337053 776783479 /nfs/dbraw/zinc/78/34/79/776783479.db2.gz CGGOFZVRHKULTG-NSHDSACASA-N -1 3 274.324 2.609 20 30 CFEDHM C=CC[C@@H](CCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229955454 776925332 /nfs/dbraw/zinc/92/53/32/776925332.db2.gz VWLNSXBGJYNEKV-NSHDSACASA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@@H](CCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229955454 776925338 /nfs/dbraw/zinc/92/53/38/776925338.db2.gz VWLNSXBGJYNEKV-NSHDSACASA-N -1 3 258.325 2.990 20 30 CFEDHM Cc1cnc(=S)[n-]c1O[C@H](C#N)c1ccccc1F ZINC001225741003 777253761 /nfs/dbraw/zinc/25/37/61/777253761.db2.gz MICWRDSUQLIOGT-LLVKDONJSA-N -1 3 275.308 2.857 20 30 CFEDHM C=CCCCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566121 777260473 /nfs/dbraw/zinc/26/04/73/777260473.db2.gz RELZFQUKUZHBKG-UHFFFAOYSA-N -1 3 263.337 2.879 20 30 CFEDHM C=CCCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566121 777260478 /nfs/dbraw/zinc/26/04/78/777260478.db2.gz RELZFQUKUZHBKG-UHFFFAOYSA-N -1 3 263.337 2.879 20 30 CFEDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2C#N)cc1Cl ZINC001231870227 777358557 /nfs/dbraw/zinc/35/85/57/777358557.db2.gz OSBFWLVFLMGIER-QWRGUYRKSA-N -1 3 268.719 2.790 20 30 CFEDHM CCC[C@H](C)[C@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226254882 777489146 /nfs/dbraw/zinc/48/91/46/777489146.db2.gz DKWIAWLNDGUMEQ-PZGJRYIUSA-N -1 3 251.330 2.878 20 30 CFEDHM [O-]c1c(F)ccc(CN2CCC(S)CC2)c1F ZINC001232934331 777724807 /nfs/dbraw/zinc/72/48/07/777724807.db2.gz FCDPCPIJKMQTGZ-UHFFFAOYSA-N -1 3 259.321 2.565 20 30 CFEDHM C[C@@]1(F)CCN(Cc2ccc(C#N)cc2[O-])C[C@H]1F ZINC001233383227 777924982 /nfs/dbraw/zinc/92/49/82/777924982.db2.gz AYJNKCCDNQMWMR-ZIAGYGMSSA-N -1 3 266.291 2.536 20 30 CFEDHM COc1ccc(CN2CCC[C@H]2C#N)c(Cl)c1[O-] ZINC001233397570 777935723 /nfs/dbraw/zinc/93/57/23/777935723.db2.gz FIOYDPILFRKKJX-JTQLQIEISA-N -1 3 266.728 2.542 20 30 CFEDHM C[C@@H](C#N)N(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455805 777959097 /nfs/dbraw/zinc/95/90/97/777959097.db2.gz ZGHBLGSJEZXLGY-QMMMGPOBSA-N -1 3 258.243 2.755 20 30 CFEDHM N#Cc1cc([O-])cc(OC[C@@H]2Cc3ccccc3O2)c1 ZINC001234138602 778172857 /nfs/dbraw/zinc/17/28/57/778172857.db2.gz BHMBDNYSYWPWHQ-HNNXBMFYSA-N -1 3 267.284 2.646 20 30 CFEDHM CCOC(=O)C(F)(F)[C@H](CC)Oc1cc([O-])cc(C#N)c1 ZINC001234138547 778173084 /nfs/dbraw/zinc/17/30/84/778173084.db2.gz AITAHLGGNFRKOD-LBPRGKRZSA-N -1 3 299.273 2.620 20 30 CFEDHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc([O-])cc(C#N)c1 ZINC001234138546 778173444 /nfs/dbraw/zinc/17/34/44/778173444.db2.gz AITAHLGGNFRKOD-GFCCVEGCSA-N -1 3 299.273 2.620 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2)c1 ZINC000127617743 778224797 /nfs/dbraw/zinc/22/47/97/778224797.db2.gz GLZYYIYBKGLEOW-ZDUSSCGKSA-N -1 3 268.272 2.549 20 30 CFEDHM CC1(C)C[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CCO1 ZINC001234514195 778240704 /nfs/dbraw/zinc/24/07/04/778240704.db2.gz SYXOEJUFHMVAAB-NSHDSACASA-N -1 3 299.330 2.543 20 30 CFEDHM COC1=CC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234512408 778241468 /nfs/dbraw/zinc/24/14/68/778241468.db2.gz CSWWPDZSKAZZTD-LBPRGKRZSA-N -1 3 297.314 2.669 20 30 CFEDHM COc1ccc2ccc([O-])c(CN(C)[C@@H](C)C#N)c2c1 ZINC001234569591 778254941 /nfs/dbraw/zinc/25/49/41/778254941.db2.gz POUQEENJEKKDPK-NSHDSACASA-N -1 3 270.332 2.898 20 30 CFEDHM N#Cc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC001235895074 778595886 /nfs/dbraw/zinc/59/58/86/778595886.db2.gz BECGQQKJGXHFQC-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC001235895074 778595887 /nfs/dbraw/zinc/59/58/87/778595887.db2.gz BECGQQKJGXHFQC-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1cc(-c2ccc(-c3nnn[n-]3)c(F)c2)ccc1F ZINC001235895384 778595892 /nfs/dbraw/zinc/59/58/92/778595892.db2.gz JDZRVTXVAUPCPO-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)ccc1F ZINC001235895384 778595893 /nfs/dbraw/zinc/59/58/93/778595893.db2.gz JDZRVTXVAUPCPO-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM COC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)c(C#N)n1 ZINC001235905563 778603763 /nfs/dbraw/zinc/60/37/63/778603763.db2.gz AYYQDCHFAYRYHN-UHFFFAOYSA-N -1 3 288.690 2.766 20 30 CFEDHM CCCCN(CC#N)Cc1sc(=O)[n-]c1Cl ZINC001237166646 779034269 /nfs/dbraw/zinc/03/42/69/779034269.db2.gz UUFQTADDIGTBFD-UHFFFAOYSA-N -1 3 259.762 2.628 20 30 CFEDHM Cc1cc([O-])c(CN2CCC[C@H]2C#N)cc1Br ZINC001237675905 779158617 /nfs/dbraw/zinc/15/86/17/779158617.db2.gz DBPBIDCEWKMPPL-NSHDSACASA-N -1 3 295.180 2.951 20 30 CFEDHM C/C(=N\[O-])c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238996672 779438416 /nfs/dbraw/zinc/43/84/16/779438416.db2.gz ZCWVAKVNKHKHLP-GIJQJNRQSA-N -1 3 255.252 2.958 20 30 CFEDHM [O-]/N=C/c1cccc(-c2cnn(Cc3ccncc3)c2)c1 ZINC001239049451 779451558 /nfs/dbraw/zinc/45/15/58/779451558.db2.gz PACZWBWISOHQFW-DJKKODMXSA-N -1 3 278.315 2.802 20 30 CFEDHM CN(C)C(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001239923027 779861812 /nfs/dbraw/zinc/86/18/12/779861812.db2.gz FIBIFPXOYFQYGE-GZTJUZNOSA-N -1 3 268.316 2.864 20 30 CFEDHM N#Cc1c(F)cc(-c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001239931066 779868237 /nfs/dbraw/zinc/86/82/37/779868237.db2.gz MOYDZUNUGUWRQU-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1c(F)cc(-c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001239931066 779868243 /nfs/dbraw/zinc/86/82/43/779868243.db2.gz MOYDZUNUGUWRQU-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM CCO[C@@H](C)n1cc(-c2ccccc2C=N[O-])cn1 ZINC001240758963 780421762 /nfs/dbraw/zinc/42/17/62/780421762.db2.gz JUXKXJHLJXAQAT-NSHDSACASA-N -1 3 259.309 2.913 20 30 CFEDHM Cc1ccc(-c2ncnc3[nH]cc(C#N)c32)c([O-])c1 ZINC001241028864 780601848 /nfs/dbraw/zinc/60/18/48/780601848.db2.gz UNZWGPUEZBIZIH-UHFFFAOYSA-N -1 3 250.261 2.511 20 30 CFEDHM N#Cc1cnc(-c2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC001241441388 780888266 /nfs/dbraw/zinc/88/82/66/780888266.db2.gz JTSZZCCIWBZFBS-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1cnc(-c2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001241441388 780888274 /nfs/dbraw/zinc/88/82/74/780888274.db2.gz JTSZZCCIWBZFBS-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1cc2[nH]ccc2c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241445509 780896648 /nfs/dbraw/zinc/89/66/48/780896648.db2.gz PVCSFQNQWHCVHA-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#Cc1cc2[nH]ccc2c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241445509 780896652 /nfs/dbraw/zinc/89/66/52/780896652.db2.gz PVCSFQNQWHCVHA-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM [O-]/N=C/c1cccc(-c2ccc3c(c2)OCCN3)c1 ZINC001241455631 780910269 /nfs/dbraw/zinc/91/02/69/780910269.db2.gz WGYZMJANRSWNHE-LICLKQGHSA-N -1 3 254.289 2.966 20 30 CFEDHM [O-]N=Cc1ccccc1-c1ccc2c(c1)OCCN2 ZINC001241461548 780914568 /nfs/dbraw/zinc/91/45/68/780914568.db2.gz UQXQPSPJJCGTPV-UHFFFAOYSA-N -1 3 254.289 2.966 20 30 CFEDHM COc1ccc(-c2nnn[n-]2)cc1C1=CC(=O)CC(C)(C)C1 ZINC001242315888 781393344 /nfs/dbraw/zinc/39/33/44/781393344.db2.gz GAMOSBXMQZJBRC-UHFFFAOYSA-N -1 3 298.346 2.648 20 30 CFEDHM COc1ccc(-c2nn[n-]n2)cc1C1=CC(=O)CC(C)(C)C1 ZINC001242315888 781393350 /nfs/dbraw/zinc/39/33/50/781393350.db2.gz GAMOSBXMQZJBRC-UHFFFAOYSA-N -1 3 298.346 2.648 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1C1=CC(=O)C[C@@H](C)C1 ZINC001242743038 781736901 /nfs/dbraw/zinc/73/69/01/781736901.db2.gz 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/nfs/dbraw/zinc/78/39/79/349783979.db2.gz PUNNTGBAPNCTOJ-UHFFFAOYSA-N -1 3 267.745 2.762 20 30 CFEDHM CC(C)CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126706173 187256994 /nfs/dbraw/zinc/25/69/94/187256994.db2.gz UMJOMJKFVIZWPW-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM CC(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126723649 187258280 /nfs/dbraw/zinc/25/82/80/187258280.db2.gz BHYQCAZYMQUXGA-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126709709 187257419 /nfs/dbraw/zinc/25/74/19/187257419.db2.gz QFCHTGLUNMIVIJ-SECBINFHSA-N -1 3 286.784 2.534 20 30 CFEDHM N#Cc1[n-]c(=NC[C@H]2CCCCN2C2CC2)sc1Cl ZINC000596211893 349827780 /nfs/dbraw/zinc/82/77/80/349827780.db2.gz YLJHGEMEGXFFJO-SNVBAGLBSA-N -1 3 296.827 2.519 20 30 CFEDHM CC(C)[C@@H]1C[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596258211 349843688 /nfs/dbraw/zinc/84/36/88/349843688.db2.gz XIAGRLGFWLYNLM-YUMQZZPRSA-N -1 3 255.774 2.794 20 30 CFEDHM N#Cc1[n-]c(=NCCC2CC(F)(F)C2)sc1Cl ZINC000596260819 349845699 /nfs/dbraw/zinc/84/56/99/349845699.db2.gz KVASGGOYKWFJHS-UHFFFAOYSA-N -1 3 277.727 2.937 20 30 CFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000126689470 232202331 /nfs/dbraw/zinc/20/23/31/232202331.db2.gz ISSAAFQOOQGFCR-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC[C@H]2C)c1[O-] ZINC000005110700 346210371 /nfs/dbraw/zinc/21/03/71/346210371.db2.gz WBQLJQFQLBCBQB-QBXHWNAFSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1ccccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000005110966 346210446 /nfs/dbraw/zinc/21/04/46/346210446.db2.gz VZJIZWMEUUBINM-RQZCQDPDSA-N -1 3 270.332 2.515 20 30 CFEDHM N#Cc1ccc(CSCC(=O)Nc2ncccc2[O-])cc1 ZINC000044948860 346401095 /nfs/dbraw/zinc/40/10/95/346401095.db2.gz DVYXZYONXOLJAZ-UHFFFAOYSA-N -1 3 299.355 2.531 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(F)c2)nc(C)n1 ZINC000049405169 346483212 /nfs/dbraw/zinc/48/32/12/346483212.db2.gz RURBHXDSOLISSI-NSHDSACASA-N -1 3 287.269 2.862 20 30 CFEDHM CC(C)COCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053527554 346549452 /nfs/dbraw/zinc/54/94/52/346549452.db2.gz AEEPZLGPNGLJSE-UHFFFAOYSA-N -1 3 289.339 2.517 20 30 CFEDHM CC(C)COCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053527554 346549459 /nfs/dbraw/zinc/54/94/59/346549459.db2.gz AEEPZLGPNGLJSE-UHFFFAOYSA-N -1 3 289.339 2.517 20 30 CFEDHM CC(C)COCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053527554 346549462 /nfs/dbraw/zinc/54/94/62/346549462.db2.gz AEEPZLGPNGLJSE-UHFFFAOYSA-N -1 3 289.339 2.517 20 30 CFEDHM N#Cc1cc(F)c(C(=O)Nc2cccc([O-])c2F)c(F)c1 ZINC000128347748 347850513 /nfs/dbraw/zinc/85/05/13/347850513.db2.gz QEWKISCWONHZBJ-UHFFFAOYSA-N -1 3 292.216 2.933 20 30 CFEDHM N#CCCCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000588632333 348788661 /nfs/dbraw/zinc/78/86/61/348788661.db2.gz NGYULSIYNZTBEQ-UHFFFAOYSA-N -1 3 250.273 2.944 20 30 CFEDHM CCc1cc(C(=O)N[C@@H](C#N)CC(C)C)ccc1[O-] ZINC000589835770 348859178 /nfs/dbraw/zinc/85/91/78/348859178.db2.gz CQIPSLUWYZYCCD-CYBMUJFWSA-N -1 3 260.337 2.623 20 30 CFEDHM Cc1cccc2cc(S(=O)(=O)[N-]C[C@H](C)C#N)sc21 ZINC000592038846 349075947 /nfs/dbraw/zinc/07/59/47/349075947.db2.gz ITRFCZCEIQRZII-SECBINFHSA-N -1 3 294.401 2.648 20 30 CFEDHM CC[C@H](C#N)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000593560318 349293084 /nfs/dbraw/zinc/29/30/84/349293084.db2.gz DEPBLWWNGZQJAH-MRVPVSSYSA-N -1 3 252.701 2.842 20 30 CFEDHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593603017 349297599 /nfs/dbraw/zinc/29/75/99/349297599.db2.gz SRPBLDQZVYELMU-WDEREUQCSA-N -1 3 298.433 2.724 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H]1CC1(C)C ZINC000593609926 349298175 /nfs/dbraw/zinc/29/81/75/349298175.db2.gz VPKXEJKXTNAOSX-UWVGGRQHSA-N -1 3 298.433 2.723 20 30 CFEDHM C=CCCCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738953 349317987 /nfs/dbraw/zinc/31/79/87/349317987.db2.gz QQGKMVBHUPNESU-UHFFFAOYSA-N -1 3 278.308 2.691 20 30 CFEDHM CCc1ccc(C(=O)NCC2(C#N)CCCC2)c([O-])c1 ZINC000593773532 349322609 /nfs/dbraw/zinc/32/26/09/349322609.db2.gz LRMRFPPMORNAMZ-UHFFFAOYSA-N -1 3 272.348 2.768 20 30 CFEDHM CC1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC=CC1 ZINC000594472570 349427539 /nfs/dbraw/zinc/42/75/39/349427539.db2.gz DTOJRZVEWSVNBP-UHFFFAOYSA-N -1 3 296.779 2.599 20 30 CFEDHM COc1cc(C(=O)NCC2(C#N)CCCCC2)ccc1[O-] ZINC000598310337 350231855 /nfs/dbraw/zinc/23/18/55/350231855.db2.gz IDRFOWOQYMEAHU-UHFFFAOYSA-N -1 3 288.347 2.605 20 30 CFEDHM CC1CC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000598622254 350295743 /nfs/dbraw/zinc/29/57/43/350295743.db2.gz HDZLMUUWCUCMBN-UHFFFAOYSA-N -1 3 298.795 2.536 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598896966 350345720 /nfs/dbraw/zinc/34/57/20/350345720.db2.gz SVTFCYXKHGOHCU-JTQLQIEISA-N -1 3 286.253 2.833 20 30 CFEDHM C[C@@H](C#N)N(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000599470537 350442187 /nfs/dbraw/zinc/44/21/87/350442187.db2.gz RSUSFOCOTJEQIF-VIFPVBQESA-N -1 3 250.729 2.922 20 30 CFEDHM Cc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1C#N ZINC000600703559 350598315 /nfs/dbraw/zinc/59/83/15/350598315.db2.gz XGBPRZFGOMYRFQ-ZDUSSCGKSA-N -1 3 272.348 2.553 20 30 CFEDHM N#Cc1ccc(-c2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000600777859 350610290 /nfs/dbraw/zinc/61/02/90/350610290.db2.gz VNGQCLUMKKBVQV-UHFFFAOYSA-N -1 3 265.316 2.926 20 30 CFEDHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c([O-])c1C ZINC000601820051 350785297 /nfs/dbraw/zinc/78/52/97/350785297.db2.gz MNCGZOQJHNEPEG-GXTWGEPZSA-N -1 3 272.348 2.773 20 30 CFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000611016297 351634204 /nfs/dbraw/zinc/63/42/04/351634204.db2.gz RDDYASDTINHRNL-VIFPVBQESA-N -1 3 298.795 2.536 20 30 CFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2CCC2)no1 ZINC000612897007 351875965 /nfs/dbraw/zinc/87/59/65/351875965.db2.gz FHWCGCFGXLIUHC-UHFFFAOYSA-N -1 3 298.346 2.711 20 30 CFEDHM Cc1cc(C#N)ccc1CSc1nc2nncc-2c(O)[n-]1 ZINC000614392122 352087973 /nfs/dbraw/zinc/08/79/73/352087973.db2.gz COLCCLPIOKSGBR-UHFFFAOYSA-N -1 3 297.343 2.531 20 30 CFEDHM C=CCC(C)(C)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000615287132 352176084 /nfs/dbraw/zinc/17/60/84/352176084.db2.gz WTKDFAOCTPMIND-UHFFFAOYSA-N -1 3 273.336 2.601 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CC[C@@](F)(C#N)C2)c([O-])c1 ZINC000615824890 352244117 /nfs/dbraw/zinc/24/41/17/352244117.db2.gz DIPRZNZPSNQYMU-OAHLLOKOSA-N -1 3 276.311 2.593 20 30 CFEDHM C=CCCCCCNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000616698154 352416780 /nfs/dbraw/zinc/41/67/80/352416780.db2.gz WYGSNFOELAQEHT-UHFFFAOYSA-N -1 3 273.336 2.745 20 30 CFEDHM C=CCC1(NC(=O)c2cc(CC)ccc2[O-])CCOCC1 ZINC000618249261 352738654 /nfs/dbraw/zinc/73/86/54/352738654.db2.gz MTOIKASWDHCWBH-UHFFFAOYSA-N -1 3 289.375 2.810 20 30 CFEDHM C=CCC1(NC(=O)c2cccc3nn[n-]c32)CCCC1 ZINC000619110486 352955090 /nfs/dbraw/zinc/95/50/90/352955090.db2.gz GKLDONOWUQMPOC-UHFFFAOYSA-N -1 3 270.336 2.577 20 30 CFEDHM C=CCC1(NC(=O)c2cccc3[n-]nnc32)CCCC1 ZINC000619110486 352955093 /nfs/dbraw/zinc/95/50/93/352955093.db2.gz GKLDONOWUQMPOC-UHFFFAOYSA-N -1 3 270.336 2.577 20 30 CFEDHM C=CCC1(NC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC000619110486 352955096 /nfs/dbraw/zinc/95/50/96/352955096.db2.gz GKLDONOWUQMPOC-UHFFFAOYSA-N -1 3 270.336 2.577 20 30 CFEDHM N#Cc1ccc(CNC(=O)c2cccc([O-])c2)cc1Cl ZINC000619780397 353065785 /nfs/dbraw/zinc/06/57/85/353065785.db2.gz LIQYBTBETRFMPU-UHFFFAOYSA-N -1 3 286.718 2.847 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625180820 353989170 /nfs/dbraw/zinc/98/91/70/353989170.db2.gz PHCJQJPWXMEIME-JTQLQIEISA-N -1 3 289.347 2.906 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625238000 354002518 /nfs/dbraw/zinc/00/25/18/354002518.db2.gz MJTUFZOAUSIBOR-UHFFFAOYSA-N -1 3 289.347 2.764 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1cccc(OC)c1[O-] ZINC000628317523 354542459 /nfs/dbraw/zinc/54/24/59/354542459.db2.gz NGLKSXVFYYPJDI-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM C=CC[C@H]1CCN(C(=O)c2ccc3[n-]c(OCC)nc3c2)C1 ZINC000628490981 354606480 /nfs/dbraw/zinc/60/64/80/354606480.db2.gz LRZLFUYESDHQAW-LBPRGKRZSA-N -1 3 299.374 3.000 20 30 CFEDHM C=CC[C@H]1CCN(C(=O)c2ccc3nc(OCC)[n-]c3c2)C1 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C=CCCOCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000355252258 540935594 /nfs/dbraw/zinc/93/55/94/540935594.db2.gz GIHQOZYZWPSZKK-UHFFFAOYSA-N -1 3 285.343 2.868 20 30 CFEDHM N#Cc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426679683 239249728 /nfs/dbraw/zinc/24/97/28/239249728.db2.gz XJXIZLDXDKUGJE-CQSZACIVSA-N -1 3 286.356 2.925 20 30 CFEDHM N#Cc1ccc([N+](=O)[O-])c([N-]c2ccn(CC(F)F)n2)c1 ZINC000302209510 201397962 /nfs/dbraw/zinc/39/79/62/201397962.db2.gz LSQLCLXWVJDSFB-UHFFFAOYSA-N -1 3 293.233 2.672 20 30 CFEDHM CCCc1nnc([N-]C(=O)c2cscc2C#N)s1 ZINC000432682432 240030189 /nfs/dbraw/zinc/03/01/89/240030189.db2.gz ZSMKJVQFPRREIS-UHFFFAOYSA-N -1 3 278.362 2.676 20 30 CFEDHM CC[C@H](NCc1cnc(C)[n-]c1=O)c1ccc(C#N)cc1 ZINC000447603335 241392930 /nfs/dbraw/zinc/39/29/30/241392930.db2.gz XOGLNYMUNLCXBB-HNNXBMFYSA-N -1 3 282.347 2.603 20 30 CFEDHM C=CCCOCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000673911062 541523605 /nfs/dbraw/zinc/52/36/05/541523605.db2.gz MEFFBZUMMLRFAJ-UHFFFAOYSA-N -1 3 289.253 2.942 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459300219 245128215 /nfs/dbraw/zinc/12/82/15/245128215.db2.gz VJAKDZBMBAGHQQ-UHFFFAOYSA-N -1 3 294.358 2.563 20 30 CFEDHM O=C(Cc1ccsc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026254439 372316008 /nfs/dbraw/zinc/31/60/08/372316008.db2.gz UTOGYJNYLSTHRI-UHFFFAOYSA-N -1 3 276.243 2.716 20 30 CFEDHM O=C(Cc1ccsc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026254439 372316014 /nfs/dbraw/zinc/31/60/14/372316014.db2.gz UTOGYJNYLSTHRI-UHFFFAOYSA-N -1 3 276.243 2.716 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041520371 372845040 /nfs/dbraw/zinc/84/50/40/372845040.db2.gz TYCNKDUPRFDRFS-LBPRGKRZSA-N -1 3 272.329 2.950 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)n2C)n1 ZINC000041518004 372845334 /nfs/dbraw/zinc/84/53/34/372845334.db2.gz WHRGDIBUALQUQJ-SNVBAGLBSA-N -1 3 259.334 2.589 20 30 CFEDHM Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000045441881 373017218 /nfs/dbraw/zinc/01/72/18/373017218.db2.gz QSLMYZIUYNIFIB-UHFFFAOYSA-N -1 3 280.327 2.845 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cccc1[N+](=O)[O-] ZINC000046439990 373055342 /nfs/dbraw/zinc/05/53/42/373055342.db2.gz GXWHZWMKXXMWRH-GFCCVEGCSA-N -1 3 281.271 2.788 20 30 CFEDHM C=CCOc1ccccc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000066115124 373911566 /nfs/dbraw/zinc/91/15/66/373911566.db2.gz KAYCITHSIJGZBM-CQSZACIVSA-N -1 3 275.348 2.548 20 30 CFEDHM N#Cc1ccc(SCC(=O)Nc2ccccc2[O-])cc1 ZINC000103186391 375721780 /nfs/dbraw/zinc/72/17/80/375721780.db2.gz DOYYDKUYCUYDTH-UHFFFAOYSA-N -1 3 284.340 2.995 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000121766431 376899752 /nfs/dbraw/zinc/89/97/52/376899752.db2.gz ANJXUSJSKHRFBB-CYBMUJFWSA-N -1 3 281.271 2.788 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2ncoc2C)s1 ZINC000121727776 376893576 /nfs/dbraw/zinc/89/35/76/376893576.db2.gz WARWCHNGFRVGTD-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM N#CC(=C([O-])c1cccnc1)c1ccc(C(F)(F)F)cn1 ZINC000122452265 376929592 /nfs/dbraw/zinc/92/95/92/376929592.db2.gz DHQGMYGIAHJXGI-NSHDSACASA-N -1 3 291.232 2.985 20 30 CFEDHM COc1ccc([O-])c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000123845219 376988677 /nfs/dbraw/zinc/98/86/77/376988677.db2.gz OWYRIAPKLQKIFM-UHFFFAOYSA-N -1 3 296.326 2.545 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@H]1CCO[C@]2(CCSC2)C1 ZINC000127694981 377297094 /nfs/dbraw/zinc/29/70/94/377297094.db2.gz WPYIAQLEONLHBG-SRECSKBZSA-N -1 3 277.389 2.866 20 30 CFEDHM CCCOc1ccc(/C=N/[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000133110445 377905357 /nfs/dbraw/zinc/90/53/57/377905357.db2.gz OOXRFRIYXGCIOU-JABOUJFJSA-N -1 3 277.364 2.903 20 30 CFEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c([O-])c1 ZINC000152193491 378402734 /nfs/dbraw/zinc/40/27/34/378402734.db2.gz GMQYYODQRJINQA-WBMJQRKESA-N -1 3 272.348 2.903 20 30 CFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329339019 378454210 /nfs/dbraw/zinc/45/42/10/378454210.db2.gz NKFSUIJMTXJWSC-SRVKXCTJSA-N -1 3 293.367 2.802 20 30 CFEDHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@]12CCOC2 ZINC000329739604 378489855 /nfs/dbraw/zinc/48/98/55/378489855.db2.gz NMVVRGYDYMLESS-TVQRCGJNSA-N -1 3 251.257 2.546 20 30 CFEDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1csc(=O)[n-]1 ZINC000329977122 378519243 /nfs/dbraw/zinc/51/92/43/378519243.db2.gz FYMRZAOLPSIAOX-HTQZYQBOSA-N -1 3 254.355 2.978 20 30 CFEDHM C=CCNc1ncc(C(=O)[N-]c2c(C)onc2CC)s1 ZINC000154133920 378541876 /nfs/dbraw/zinc/54/18/76/378541876.db2.gz MJVDZLFVXFFFHG-UHFFFAOYSA-N -1 3 292.364 2.852 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000335311190 379061655 /nfs/dbraw/zinc/06/16/55/379061655.db2.gz SOHZQGYPCFWVAA-GFCCVEGCSA-N -1 3 282.343 2.709 20 30 CFEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)C#N ZINC000334342729 379125546 /nfs/dbraw/zinc/12/55/46/379125546.db2.gz QHEBYUDLHIKIGC-SSDOTTSWSA-N -1 3 298.751 2.585 20 30 CFEDHM COc1cc(F)c([N-]C(=O)c2ccc(C#N)o2)cc1F ZINC000334406752 379243680 /nfs/dbraw/zinc/24/36/80/379243680.db2.gz QXNJULHRBAZKAI-UHFFFAOYSA-N -1 3 278.214 2.690 20 30 CFEDHM CC1(C#N)CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000335785757 379885671 /nfs/dbraw/zinc/88/56/71/379885671.db2.gz FGRQPZICIHVWLP-UHFFFAOYSA-N -1 3 292.766 2.740 20 30 CFEDHM Cc1cc(C(=O)[N-]c2ccncc2C#N)c(C(F)(F)F)o1 ZINC000335253932 380088552 /nfs/dbraw/zinc/08/85/52/380088552.db2.gz KUKHXTAXXHKNLB-UHFFFAOYSA-N -1 3 295.220 2.548 20 30 CFEDHM Cc1ocnc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000335914906 380099476 /nfs/dbraw/zinc/09/94/76/380099476.db2.gz KRHVXSWRKPOVDQ-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM CC1(C)CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C#N ZINC000336274229 380305026 /nfs/dbraw/zinc/30/50/26/380305026.db2.gz KCCGZGQEFWMCJA-CQSZACIVSA-N -1 3 290.338 2.615 20 30 CFEDHM C=CCN(CCCCC(=O)[O-])Cc1ccc(OC)cc1 ZINC000181548638 380823604 /nfs/dbraw/zinc/82/36/04/380823604.db2.gz ONLUCWFDHKVMTF-UHFFFAOYSA-N -1 3 277.364 2.938 20 30 CFEDHM N#CC(=C([O-])c1ccc(OC2CCC2)cc1)c1ccncn1 ZINC000354461085 381286491 /nfs/dbraw/zinc/28/64/91/381286491.db2.gz GQUWJKKPFYWANX-OAHLLOKOSA-N -1 3 293.326 2.898 20 30 CFEDHM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1ccncn1 ZINC000354460708 381286983 /nfs/dbraw/zinc/28/69/83/381286983.db2.gz FORYAARQESWSBQ-OAHLLOKOSA-N -1 3 288.310 2.757 20 30 CFEDHM CCCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354458577 381284449 /nfs/dbraw/zinc/28/44/49/381284449.db2.gz BXDZAKMCAMXWCX-AWEZNQCLSA-N -1 3 265.316 2.919 20 30 CFEDHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1(C#N)CCC1 ZINC000185435619 381632084 /nfs/dbraw/zinc/63/20/84/381632084.db2.gz WDNCFRFGFIEGCZ-UHFFFAOYSA-N -1 3 284.359 2.789 20 30 CFEDHM COC(=O)C1(C/N=C/c2c([O-])ccc3ccccc32)CC1 ZINC000185917963 381778377 /nfs/dbraw/zinc/77/83/77/381778377.db2.gz JHTKGAHTDNETLK-VCHYOVAHSA-N -1 3 283.327 2.918 20 30 CFEDHM Cc1nc2ccc(C([O-])=C(C#N)c3ccccn3)cc2n1C ZINC000361660596 381855531 /nfs/dbraw/zinc/85/55/31/381855531.db2.gz BODAWFDNPYAODL-ZDUSSCGKSA-N -1 3 290.326 2.767 20 30 CFEDHM CC[C@@H](C)CON=C([O-])Nc1cc(C#N)ccc1OC ZINC000292909589 381897299 /nfs/dbraw/zinc/89/72/99/381897299.db2.gz KQKWOUNDOKHHPQ-SNVBAGLBSA-N -1 3 277.324 2.666 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C#N)ccc1OC ZINC000292909589 381897303 /nfs/dbraw/zinc/89/73/03/381897303.db2.gz KQKWOUNDOKHHPQ-SNVBAGLBSA-N -1 3 277.324 2.666 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cccc(F)c2C#N)c1 ZINC000187268715 382143231 /nfs/dbraw/zinc/14/32/31/382143231.db2.gz WXCBBNAOKLGIJT-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM CC(C)C1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000293792138 382281563 /nfs/dbraw/zinc/28/15/63/382281563.db2.gz MPZOPTAGZKZFCQ-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccncn2)ccn1C(C)C ZINC000346000768 382326938 /nfs/dbraw/zinc/32/69/38/382326938.db2.gz ZUWCXALLVNUZCL-CYBMUJFWSA-N -1 3 268.320 2.658 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccco3)nc21 ZINC000345405017 382301072 /nfs/dbraw/zinc/30/10/72/382301072.db2.gz VNNCIGOOVFCILY-JTQLQIEISA-N -1 3 265.272 2.954 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ccco3)[nH]c21 ZINC000345405017 382301076 /nfs/dbraw/zinc/30/10/76/382301076.db2.gz VNNCIGOOVFCILY-JTQLQIEISA-N -1 3 265.272 2.954 20 30 CFEDHM N#Cc1ccc(C(=O)[N-]c2csc(-c3ccncc3)n2)o1 ZINC000346775628 382507183 /nfs/dbraw/zinc/50/71/83/382507183.db2.gz WACJIILGEOGXSH-UHFFFAOYSA-N -1 3 296.311 2.922 20 30 CFEDHM Cc1nsc([N-]C(=O)Nc2cnn(C(C)C)c2)c1C#N ZINC000576645246 382830479 /nfs/dbraw/zinc/83/04/79/382830479.db2.gz VYDZKWGPVBTSAP-UHFFFAOYSA-N -1 3 290.352 2.745 20 30 CFEDHM C=CCOCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337668743 382853710 /nfs/dbraw/zinc/85/37/10/382853710.db2.gz WEFRYUHCQBWEEE-UHFFFAOYSA-N -1 3 263.337 2.831 20 30 CFEDHM C=CCO[N-]C(=O)/C=C/c1ccc(OC(C)C)cc1 ZINC000493717285 382883083 /nfs/dbraw/zinc/88/30/83/382883083.db2.gz FUHUJCIBOPKDQF-JXMROGBWSA-N -1 3 261.321 2.721 20 30 CFEDHM N#CC(=C([O-])c1cccc2c1CCCC2)c1ccncn1 ZINC000578837686 382959033 /nfs/dbraw/zinc/95/90/33/382959033.db2.gz UFUWVRGUMNMEGK-OAHLLOKOSA-N -1 3 277.327 2.845 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000447929536 383030303 /nfs/dbraw/zinc/03/03/03/383030303.db2.gz INLBQGPDSLTPNL-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc(NC(=O)OC)c1C ZINC000496103460 383064329 /nfs/dbraw/zinc/06/43/29/383064329.db2.gz MQPYFPNHOCGJMJ-SECBINFHSA-N -1 3 293.323 2.801 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc(NC(=O)OC)c1C ZINC000496103460 383064331 /nfs/dbraw/zinc/06/43/31/383064331.db2.gz MQPYFPNHOCGJMJ-SECBINFHSA-N -1 3 293.323 2.801 20 30 CFEDHM N#CC1(CSCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000566787215 383211122 /nfs/dbraw/zinc/21/11/22/383211122.db2.gz LIKWFNKACSWUDF-UHFFFAOYSA-N -1 3 261.350 2.597 20 30 CFEDHM C=CCN(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000516187595 383162219 /nfs/dbraw/zinc/16/22/19/383162219.db2.gz GDOAKLUMJAAGMS-LLVKDONJSA-N -1 3 284.153 2.693 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NCc2cccc(C#N)c2)c1 ZINC000523665821 383358616 /nfs/dbraw/zinc/35/86/16/383358616.db2.gz NCOIOQONLSAZOI-UHFFFAOYSA-N -1 3 280.327 2.756 20 30 CFEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccccc2[O-])cc1 ZINC000471793822 383378881 /nfs/dbraw/zinc/37/88/81/383378881.db2.gz PVBWYINKRJXPNB-AWEZNQCLSA-N -1 3 291.310 2.585 20 30 CFEDHM C=CC[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000636822179 383890440 /nfs/dbraw/zinc/89/04/40/383890440.db2.gz CLBJNOBPTJEUHN-NSHDSACASA-N -1 3 278.327 2.639 20 30 CFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436965429 383898177 /nfs/dbraw/zinc/89/81/77/383898177.db2.gz RVFXAKWOMWJOMM-AWEZNQCLSA-N -1 3 286.375 2.939 20 30 CFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000573289433 383903942 /nfs/dbraw/zinc/90/39/42/383903942.db2.gz OCBZEGVLSVEHIV-ZDUSSCGKSA-N -1 3 281.315 2.754 20 30 CFEDHM CCc1ccccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000265761247 383992742 /nfs/dbraw/zinc/99/27/42/383992742.db2.gz HTTZBPMPRWJNHN-VCHYOVAHSA-N -1 3 284.359 2.769 20 30 CFEDHM N#Cc1ccc(CN(Cc2ncccc2[O-])C2CC2)cc1 ZINC000574366346 384085404 /nfs/dbraw/zinc/08/54/04/384085404.db2.gz PYFMNXWLOIWUJT-UHFFFAOYSA-N -1 3 279.343 2.823 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000279886447 384799114 /nfs/dbraw/zinc/79/91/14/384799114.db2.gz UQAMERZLOVUFNF-UHFFFAOYSA-N -1 3 265.787 2.646 20 30 CFEDHM N#CCCN(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271285197 385379343 /nfs/dbraw/zinc/37/93/43/385379343.db2.gz RBHYCKUBBWJCJR-UHFFFAOYSA-N -1 3 297.358 2.541 20 30 CFEDHM CNc1ccc(C#N)cc1NC(=O)c1cccc([O-])c1 ZINC000355645009 130329135 /nfs/dbraw/zinc/32/91/35/130329135.db2.gz QCIUYBLYPZLPAR-UHFFFAOYSA-N -1 3 267.288 2.558 20 30 CFEDHM C[C@@H](C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000334205190 393579581 /nfs/dbraw/zinc/57/95/81/393579581.db2.gz XJVPMMBDXAHQPG-LURJTMIESA-N -1 3 258.199 2.509 20 30 CFEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000334294779 393591288 /nfs/dbraw/zinc/59/12/88/393591288.db2.gz UVCCJHXBDZFVJE-AWEZNQCLSA-N -1 3 270.263 2.526 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cc(C#N)cs2)c1 ZINC000084386497 393748192 /nfs/dbraw/zinc/74/81/92/393748192.db2.gz DHWHWYDHXXOFJR-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM N#CCCSCc1noc(-c2ccccc2[O-])n1 ZINC000413017271 393778625 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C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156419145 394333940 /nfs/dbraw/zinc/33/39/40/394333940.db2.gz XDXVFMQACHCJBL-GWCFXTLKSA-N -1 3 296.367 2.554 20 30 CFEDHM COc1cc([O-])cc(NC(=O)/C=C\c2cccc(C#N)c2)c1 ZINC000493778235 394314504 /nfs/dbraw/zinc/31/45/04/394314504.db2.gz MGDKNHCGZPWMKU-WAYWQWQTSA-N -1 3 294.310 2.924 20 30 CFEDHM COc1ccnc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647380447 395320229 /nfs/dbraw/zinc/32/02/29/395320229.db2.gz TYEUONVIOYPGOE-LLVKDONJSA-N -1 3 299.355 2.914 20 30 CFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000047343296 397585310 /nfs/dbraw/zinc/58/53/10/397585310.db2.gz LDGAAMMSVIUSAT-UHFFFAOYSA-N -1 3 265.276 2.503 20 30 CFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000047343296 397585312 /nfs/dbraw/zinc/58/53/12/397585312.db2.gz LDGAAMMSVIUSAT-UHFFFAOYSA-N -1 3 265.276 2.503 20 30 CFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000047343296 397585314 /nfs/dbraw/zinc/58/53/14/397585314.db2.gz LDGAAMMSVIUSAT-UHFFFAOYSA-N -1 3 265.276 2.503 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000657036360 413294412 /nfs/dbraw/zinc/29/44/12/413294412.db2.gz FIZCCJODKAOBSD-BXUZGUMPSA-N -1 3 298.383 2.634 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000657076843 413304258 /nfs/dbraw/zinc/30/42/58/413304258.db2.gz CGSBBMCTSMICKW-UHFFFAOYSA-N -1 3 297.273 2.699 20 30 CFEDHM N#Cc1ccc(CNCc2ccc([O-])c(F)c2)c(F)c1 ZINC000344549855 162065682 /nfs/dbraw/zinc/06/56/82/162065682.db2.gz PIEGQGZHTWXBOV-UHFFFAOYSA-N -1 3 274.270 2.832 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)CSc2ccc(C#N)cc2)n1 ZINC000345935131 162279972 /nfs/dbraw/zinc/27/99/72/162279972.db2.gz UUSSUXCOGMNHNS-UHFFFAOYSA-N -1 3 299.355 2.698 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651563444 413518537 /nfs/dbraw/zinc/51/85/37/413518537.db2.gz WFZQFITUGNHZBZ-MRVPVSSYSA-N -1 3 277.748 2.722 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ncccc1[O-] ZINC000661419256 413965378 /nfs/dbraw/zinc/96/53/78/413965378.db2.gz NQGMDWPTVFODDF-STQMWFEESA-N 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CCOCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091598 620636539 /nfs/dbraw/zinc/63/65/39/620636539.db2.gz CWDNUGLPMXJIAC-UHFFFAOYSA-N -1 3 273.332 2.984 20 30 CFEDHM CCCn1c(S[C@@H](C#N)C2CCCCC2)n[n-]c1=O ZINC000115185666 267091546 /nfs/dbraw/zinc/09/15/46/267091546.db2.gz KFXZFRSSQGDRKZ-NSHDSACASA-N -1 3 280.397 2.958 20 30 CFEDHM C#CC[C@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000368536167 267182088 /nfs/dbraw/zinc/18/20/88/267182088.db2.gz BGNJFFVQPRNWSS-NSHDSACASA-N -1 3 282.347 2.630 20 30 CFEDHM CC[C@@H](c1ccccc1[O-])N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369927470 267276986 /nfs/dbraw/zinc/27/69/86/267276986.db2.gz AGENZMNAOIFFFE-HOCLYGCPSA-N -1 3 285.391 2.515 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)s1 ZINC000528530102 268255811 /nfs/dbraw/zinc/25/58/11/268255811.db2.gz MEUYLAFLUCQUGU-NSHDSACASA-N -1 3 296.417 2.644 20 30 CFEDHM CC1(C)CCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329344355 278244726 /nfs/dbraw/zinc/24/47/26/278244726.db2.gz UGGHEQMOUGDKAR-QMMMGPOBSA-N -1 3 254.355 2.980 20 30 CFEDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000126322658 280651793 /nfs/dbraw/zinc/65/17/93/280651793.db2.gz QOFFEXIHLRWZMN-GWCFXTLKSA-N -1 3 296.367 2.554 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151059166 280799462 /nfs/dbraw/zinc/79/94/62/280799462.db2.gz PDPKZPJCWCNDMD-ZYHUDNBSSA-N -1 3 296.367 2.554 20 30 CFEDHM N#Cc1cc(F)c(C(=O)[N-]c2nccs2)c(F)c1 ZINC000151799165 289831604 /nfs/dbraw/zinc/83/16/04/289831604.db2.gz BPLNVSYQOCEWQD-UHFFFAOYSA-N -1 3 265.244 2.545 20 30 CFEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156419024 289937886 /nfs/dbraw/zinc/93/78/86/289937886.db2.gz XDXVFMQACHCJBL-MFKMUULPSA-N -1 3 296.367 2.554 20 30 CFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCCCC1 ZINC000443095790 303181298 /nfs/dbraw/zinc/18/12/98/303181298.db2.gz UAUKSMOBGMQMAN-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM Cc1cc(C(=O)N2CCC(CCC#N)CC2)ccc1[O-] ZINC000335385163 335092335 /nfs/dbraw/zinc/09/23/35/335092335.db2.gz QDWLRRKSPMCRQY-UHFFFAOYSA-N -1 3 272.348 2.857 20 30 CFEDHM CC1(C)C[C@]1(C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000291439804 328263561 /nfs/dbraw/zinc/26/35/61/328263561.db2.gz MTHAXMGVTMYXQA-CYBMUJFWSA-N -1 3 264.275 2.587 20 30 CFEDHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000571382078 322580855 /nfs/dbraw/zinc/58/08/55/322580855.db2.gz FETILJDKUFGFBH-UHFFFAOYSA-N -1 3 298.383 2.800 20 30 CFEDHM C=C(C)[C@@H](CC(=O)Nc1cccc([O-])c1F)OCC ZINC000534944285 328371388 /nfs/dbraw/zinc/37/13/88/328371388.db2.gz ADOLUOLEHQAJAG-GFCCVEGCSA-N -1 3 267.300 2.841 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc2nc(OC)sc2c1 ZINC000340727897 328399206 /nfs/dbraw/zinc/39/92/06/328399206.db2.gz VKHCUYKMOWYERL-UHFFFAOYSA-N -1 3 298.389 2.623 20 30 CFEDHM COC(=O)[C@@H](C)C/N=C/c1c([O-])ccc2ccccc21 ZINC000101799833 327222740 /nfs/dbraw/zinc/22/27/40/327222740.db2.gz DVQRPIYTJMYEAV-MUOOZZNISA-N -1 3 271.316 2.773 20 30 CFEDHM CCN(Cc1c(F)ccc([O-])c1F)C[C@@H](C)C#N ZINC000507583935 332815363 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C#CC[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000492523732 332401403 /nfs/dbraw/zinc/40/14/03/332401403.db2.gz XVWYFTDJHRDAQY-OAGJVSPASA-N -1 3 292.338 2.681 20 30 CFEDHM N#CCN(C(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000236603778 333374171 /nfs/dbraw/zinc/37/41/71/333374171.db2.gz CXOMANNMKURQKK-UHFFFAOYSA-N -1 3 278.739 2.954 20 30 CFEDHM C#C[C@@H](CC)NCc1cccc([O-])c1Br ZINC000315761176 333383608 /nfs/dbraw/zinc/38/36/08/333383608.db2.gz SXQJIDOLMRYMEP-JTQLQIEISA-N -1 3 268.154 2.656 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1sccc1OC ZINC000567406658 334713376 /nfs/dbraw/zinc/71/33/76/334713376.db2.gz OTUGNGIERFEWPE-UHFFFAOYSA-N -1 3 289.422 2.781 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000351578792 335618062 /nfs/dbraw/zinc/61/80/62/335618062.db2.gz CUNNTSOMVJYVKY-UHFFFAOYSA-N -1 3 271.357 2.769 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000384868316 336133181 /nfs/dbraw/zinc/13/31/81/336133181.db2.gz QKANGKMKDPGAPE-UHFFFAOYSA-N -1 3 298.795 2.702 20 30 CFEDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000228884237 520566951 /nfs/dbraw/zinc/56/69/51/520566951.db2.gz JJLWQBWZCCGONY-JTQLQIEISA-N -1 3 298.795 2.536 20 30 CFEDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230349532 519542605 /nfs/dbraw/zinc/54/26/05/519542605.db2.gz DKEVENXZQXLOPP-UHFFFAOYSA-N -1 3 286.422 2.580 20 30 CFEDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227301556 520567446 /nfs/dbraw/zinc/56/74/46/520567446.db2.gz POPNHIZRYGXYAM-JTQLQIEISA-N -1 3 298.795 2.536 20 30 CFEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cccc([O-])c1 ZINC000061947534 523294845 /nfs/dbraw/zinc/29/48/45/523294845.db2.gz AXGXBRJOZGDFNB-UHFFFAOYSA-N -1 3 266.300 2.536 20 30 CFEDHM N#Cc1ccnc([N-]C(=O)c2ncsc2C(F)(F)F)c1 ZINC000338449700 526760294 /nfs/dbraw/zinc/76/02/94/526760294.db2.gz FMANSIPMKGBCQM-UHFFFAOYSA-N -1 3 298.249 2.681 20 30 CFEDHM CCCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000355096208 528597987 /nfs/dbraw/zinc/59/79/87/528597987.db2.gz ISQCQAXBHJQUMU-HNNXBMFYSA-N -1 3 294.358 2.931 20 30 CFEDHM Cc1ccccc1[C@@H](CC(=O)[O-])NCc1cc(C#N)n(C)c1 ZINC000417571471 568586148 /nfs/dbraw/zinc/58/61/48/568586148.db2.gz NYUZQNDFBWPVTM-MRXNPFEDSA-N -1 3 297.358 2.511 20 30 CFEDHM CC(=CC([O-])=C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038927 574049850 /nfs/dbraw/zinc/04/98/50/574049850.db2.gz DHQGHKJEAYGFNY-ZKQHCESOSA-N -1 3 285.347 2.721 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)C1CCCCC1 ZINC000727685698 574060446 /nfs/dbraw/zinc/06/04/46/574060446.db2.gz XEYKVELYVRUXJI-ZXMBATIKSA-N -1 3 277.364 2.761 20 30 CFEDHM CNC(=O)C1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000753993416 574061600 /nfs/dbraw/zinc/06/16/00/574061600.db2.gz GEOVZKUCNHSWAB-NVMNQCDNSA-N -1 3 294.782 2.769 20 30 CFEDHM COC1CCC(CC/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000753994211 574084900 /nfs/dbraw/zinc/08/49/00/574084900.db2.gz IRJSJLTUEVOIIS-LICLKQGHSA-N -1 3 293.363 2.818 20 30 CFEDHM CNC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728230206 574088207 /nfs/dbraw/zinc/08/82/07/574088207.db2.gz 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/nfs/dbraw/zinc/11/23/29/574112329.db2.gz MUTUGMVQQGUZPT-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM CC(N=Nc1ccc(F)cn1)c1ccc(F)cc1[O-] ZINC000731321050 574116705 /nfs/dbraw/zinc/11/67/05/574116705.db2.gz CFAGYOINWIXISK-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1nccs1 ZINC000737442355 574141503 /nfs/dbraw/zinc/14/15/03/574141503.db2.gz CJUJIKDZXHSCQC-SMWBLXLWSA-N -1 3 291.376 2.615 20 30 CFEDHM C#Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC000728962486 574142373 /nfs/dbraw/zinc/14/23/73/574142373.db2.gz DESYLJIQJCAVQJ-UHFFFAOYSA-N -1 3 272.691 2.674 20 30 CFEDHM CN(Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737487170 574144064 /nfs/dbraw/zinc/14/40/64/574144064.db2.gz IWJIJMSEQHLJIX-INIZCTEOSA-N -1 3 298.317 2.955 20 30 CFEDHM [O-]c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)nc1 ZINC000755489786 574165538 /nfs/dbraw/zinc/16/55/38/574165538.db2.gz XLLYGVODIMBNKJ-UHFFFAOYSA-N -1 3 282.225 2.647 20 30 CFEDHM [O-]c1ccc(C=NNc2ccc(C(F)(F)F)cn2)nc1 ZINC000755489786 574165539 /nfs/dbraw/zinc/16/55/39/574165539.db2.gz XLLYGVODIMBNKJ-UHFFFAOYSA-N -1 3 282.225 2.647 20 30 CFEDHM [O-]c1ccc(C=NNc2ccc(Br)cc2)nc1 ZINC000755631114 574173357 /nfs/dbraw/zinc/17/33/57/574173357.db2.gz IMGXYPVJQPYVNF-UHFFFAOYSA-N -1 3 292.136 2.996 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNCc1ccc(F)cc1F ZINC000755683913 574178125 /nfs/dbraw/zinc/17/81/25/574178125.db2.gz VTGHJBRFIAIINR-UHFFFAOYSA-N -1 3 280.249 2.933 20 30 CFEDHM [O-]c1ccc(C=NNc2ccnc3ccccc32)cc1F ZINC000755701784 574179185 /nfs/dbraw/zinc/17/91/85/574179185.db2.gz SPOYXYQCCAQMJS-UHFFFAOYSA-N -1 3 281.290 2.947 20 30 CFEDHM C[C@@H]1COCCN1CC/N=C/c1c([O-])ccc2ccccc21 ZINC000729149522 574179571 /nfs/dbraw/zinc/17/95/71/574179571.db2.gz LHMGNVXVTHZMRO-ONDHQXCVSA-N -1 3 298.386 2.685 20 30 CFEDHM C[C@H]1COCCN1CC/N=C/c1c([O-])ccc2ccccc21 ZINC000729149516 574179949 /nfs/dbraw/zinc/17/99/49/574179949.db2.gz LHMGNVXVTHZMRO-BXUJETTOSA-N -1 3 298.386 2.685 20 30 CFEDHM CC(C)(C)CN(CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738697580 574181166 /nfs/dbraw/zinc/18/11/66/574181166.db2.gz GVHRWYRUKVBCAO-CYBMUJFWSA-N -1 3 281.400 2.638 20 30 CFEDHM C=C(C)[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000756014889 574204872 /nfs/dbraw/zinc/20/48/72/574204872.db2.gz UWBUDHVKJKPZSY-GFCCVEGCSA-N -1 3 288.347 2.716 20 30 CFEDHM CCCN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739359394 574210126 /nfs/dbraw/zinc/21/01/26/574210126.db2.gz LBGKNFGBIGXHNI-HNNXBMFYSA-N -1 3 287.363 2.523 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000739425253 574213491 /nfs/dbraw/zinc/21/34/91/574213491.db2.gz CTZBQVNKIBUYEX-JBCPCJSTSA-N -1 3 276.380 2.832 20 30 CFEDHM CC(Cc1cccs1)=NNc1cnnc([O-])c1Cl ZINC000729635545 574224971 /nfs/dbraw/zinc/22/49/71/574224971.db2.gz ZUJVGLHPPAKMFO-UHFFFAOYSA-N -1 3 282.756 2.928 20 30 CFEDHM CC(Cc1cccs1)N=Nc1cn[n-]c(=O)c1Cl ZINC000729635545 574224974 /nfs/dbraw/zinc/22/49/74/574224974.db2.gz ZUJVGLHPPAKMFO-UHFFFAOYSA-N -1 3 282.756 2.928 20 30 CFEDHM COc1cccc([O-])c1CNCc1ccc(C#N)cc1F ZINC000729854655 574234352 /nfs/dbraw/zinc/23/43/52/574234352.db2.gz DUZJNBDMCAHROS-UHFFFAOYSA-N -1 3 286.306 2.701 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2ccnc3ccccc32)n1 ZINC000730146148 574255482 /nfs/dbraw/zinc/25/54/82/574255482.db2.gz IMIKTJXVIFYSDT-UHFFFAOYSA-N -1 3 278.315 2.512 20 30 CFEDHM COC(=O)C1CCC(/N=C\c2c([O-])cccc2OC)CC1 ZINC000730146588 574256093 /nfs/dbraw/zinc/25/60/93/574256093.db2.gz BPGDHRFSZCMVIH-YVLHZVERSA-N -1 3 291.347 2.552 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@](C)(O)c1ccsc1 ZINC000740763160 574266107 /nfs/dbraw/zinc/26/61/07/574266107.db2.gz ADWQPZTXXTUNPW-FUXXUDPSSA-N -1 3 291.372 2.789 20 30 CFEDHM [O-]c1c(O)ccc(C=NNc2cc(F)c(F)cc2F)c1O ZINC000734302961 574280818 /nfs/dbraw/zinc/28/08/18/574280818.db2.gz XGAITPNTQNPZAV-UHFFFAOYSA-N -1 3 298.220 2.667 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000741166120 574282701 /nfs/dbraw/zinc/28/27/01/574282701.db2.gz WEMOICYLXHMTBQ-PSSLKDGHSA-N -1 3 275.348 2.633 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000741166121 574282707 /nfs/dbraw/zinc/28/27/07/574282707.db2.gz WEMOICYLXHMTBQ-QGHHKPIQSA-N -1 3 275.348 2.633 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2C2CCCCC2)c1[O-] ZINC000741465000 574291624 /nfs/dbraw/zinc/29/16/24/574291624.db2.gz RWYSXISMTNUZBU-NWYKZCAJSA-N -1 3 288.391 2.976 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)C2CCCCC2)c1[O-] ZINC000741466295 574291642 /nfs/dbraw/zinc/29/16/42/574291642.db2.gz LSUZDZZMNKOODL-KECVIQKOSA-N -1 3 276.380 2.976 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000741464109 574291647 /nfs/dbraw/zinc/29/16/47/574291647.db2.gz KWOIFEJPMNLCGK-DTVMNVQKSA-N -1 3 283.327 2.854 20 30 CFEDHM C[C@H](/N=C/c1ccc(O)c([O-])c1O)c1cccc(C#N)c1 ZINC000743501927 574307400 /nfs/dbraw/zinc/30/74/00/574307400.db2.gz SXYIMUPTAOVGCP-NTOSSWPYSA-N -1 3 282.299 2.855 20 30 CFEDHM [O-]c1c(F)cc(C=NNc2ccc(Cl)nn2)cc1F ZINC000749853628 574312457 /nfs/dbraw/zinc/31/24/57/574312457.db2.gz QVQPYTXGXRYHHH-UHFFFAOYSA-N -1 3 284.653 2.560 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@H](O)CC(C)(C)C ZINC000735228783 574316070 /nfs/dbraw/zinc/31/60/70/574316070.db2.gz HUWYKSFCPRXETK-FFCYNSPCSA-N -1 3 265.353 2.617 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000735206180 574316336 /nfs/dbraw/zinc/31/63/36/574316336.db2.gz AKJNVPQPZXBQTJ-ZQNFCJTASA-N -1 3 256.305 2.690 20 30 CFEDHM C=CCCCNc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735412485 574323007 /nfs/dbraw/zinc/32/30/07/574323007.db2.gz CYDMHIZGPBUWQO-UHFFFAOYSA-N -1 3 273.340 2.644 20 30 CFEDHM C=CCCCNc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735412485 574323008 /nfs/dbraw/zinc/32/30/08/574323008.db2.gz CYDMHIZGPBUWQO-UHFFFAOYSA-N -1 3 273.340 2.644 20 30 CFEDHM C=C(C)CNc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735402239 574323818 /nfs/dbraw/zinc/32/38/18/574323818.db2.gz NOWUJWAJZUGWLQ-UHFFFAOYSA-N -1 3 298.375 2.978 20 30 CFEDHM C=C(C)CNc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735402239 574323820 /nfs/dbraw/zinc/32/38/20/574323820.db2.gz NOWUJWAJZUGWLQ-UHFFFAOYSA-N -1 3 298.375 2.978 20 30 CFEDHM C=CC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735409583 574323916 /nfs/dbraw/zinc/32/39/16/574323916.db2.gz GHOUBLSVZGKOPE-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=CC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735409583 574323918 /nfs/dbraw/zinc/32/39/18/574323918.db2.gz GHOUBLSVZGKOPE-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739054353 574333408 /nfs/dbraw/zinc/33/34/08/574333408.db2.gz QLLGCKYCUSSKOO-TZMCWYRMSA-N -1 3 287.363 2.551 20 30 CFEDHM CCOc1ccc(/C=N\[C@H]2CCSC2)c([O-])c1 ZINC000743045029 574352581 /nfs/dbraw/zinc/35/25/81/574352581.db2.gz WTYKZUIEVWQVRF-KSSSLANASA-N -1 3 251.351 2.715 20 30 CFEDHM C[C@@H]1CN(CC/N=C/c2c([O-])ccc3ccccc32)CCO1 ZINC000750950716 574365204 /nfs/dbraw/zinc/36/52/04/574365204.db2.gz ZYUAJQFLEOBNHF-ONDHQXCVSA-N -1 3 298.386 2.685 20 30 CFEDHM C[C@H]1CN(CC/N=C/c2c([O-])ccc3ccccc32)CCO1 ZINC000750950715 574365379 /nfs/dbraw/zinc/36/53/79/574365379.db2.gz ZYUAJQFLEOBNHF-BXUJETTOSA-N -1 3 298.386 2.685 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000743501934 574367371 /nfs/dbraw/zinc/36/73/71/574367371.db2.gz TTXWDAJSXADFFN-ISZXUTBVSA-N -1 3 295.342 2.640 20 30 CFEDHM O=C1[C@H](/N=C/c2ccccc2[O-])CCN1Cc1ccccc1 ZINC000743537955 574368247 /nfs/dbraw/zinc/36/82/47/574368247.db2.gz FBLZTRCRNFXWGZ-PUMYGXPMSA-N -1 3 294.354 2.612 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn[nH]c1 ZINC000751521268 574378325 /nfs/dbraw/zinc/37/83/25/574378325.db2.gz FKNQGKXEWYITJI-YHESJLBYSA-N -1 3 258.252 2.638 20 30 CFEDHM C[C@H](OC(=O)c1ccc(C#N)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000752484854 574391798 /nfs/dbraw/zinc/39/17/98/574391798.db2.gz XZUDXUQXPVRSGL-VIFPVBQESA-N -1 3 285.259 2.713 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@@H](OC)C1(C)C ZINC000753139318 574399275 /nfs/dbraw/zinc/39/92/75/574399275.db2.gz SIXYDVRHUDHTDP-SHLZMMBASA-N -1 3 263.337 2.633 20 30 CFEDHM CCOc1ccc(CN2CCC[C@](C)(C#N)C2)c([O-])c1 ZINC000753586050 574405393 /nfs/dbraw/zinc/40/53/93/574405393.db2.gz DGVIDAYJERAHNU-MRXNPFEDSA-N -1 3 274.364 2.917 20 30 CFEDHM C#CCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819693849 599079661 /nfs/dbraw/zinc/07/96/61/599079661.db2.gz XMTRQSNKINQNTN-UHFFFAOYSA-N -1 3 295.268 2.711 20 30 CFEDHM C#CCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819693849 599079664 /nfs/dbraw/zinc/07/96/64/599079664.db2.gz XMTRQSNKINQNTN-UHFFFAOYSA-N -1 3 295.268 2.711 20 30 CFEDHM O=C([C@H]1CCN1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000900095377 620636935 /nfs/dbraw/zinc/63/69/35/620636935.db2.gz AVTFSNJNILCZIS-OAHLLOKOSA-N -1 3 292.354 2.560 20 30 CFEDHM CC(C)(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)n[nH]1 ZINC000900095401 620636956 /nfs/dbraw/zinc/63/69/56/620636956.db2.gz BSKJXUFCWKZMPM-UHFFFAOYSA-N -1 3 291.326 2.878 20 30 CFEDHM O=C(Cc1ccsc1)N([O-])Cc1ccc(F)cc1 ZINC000900095577 620637180 /nfs/dbraw/zinc/63/71/80/620637180.db2.gz FMSQTWDIAHZOBV-UHFFFAOYSA-N -1 3 265.309 2.848 20 30 CFEDHM O=C(CC[C@@H]1CCCO1)N([O-])Cc1ccc(F)cc1 ZINC000900095801 620637219 /nfs/dbraw/zinc/63/72/19/620637219.db2.gz KAKMBDZURGEDRN-ZDUSSCGKSA-N -1 3 267.300 2.503 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000822924072 607455390 /nfs/dbraw/zinc/45/53/90/607455390.db2.gz WNJDNKHVWMPJIF-HJWRWDBZSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000822924072 607455391 /nfs/dbraw/zinc/45/53/91/607455391.db2.gz WNJDNKHVWMPJIF-HJWRWDBZSA-N -1 3 294.289 2.902 20 30 CFEDHM c1cc(-c2nnn[n-]2)ccc1N=NC1CC2(CCC2)C1 ZINC000823742827 607464207 /nfs/dbraw/zinc/46/42/07/607464207.db2.gz LUXZKFDWGUUBRP-UHFFFAOYSA-N -1 3 268.324 2.599 20 30 CFEDHM c1cc(-c2nn[n-]n2)ccc1N=NC1CC2(CCC2)C1 ZINC000823742827 607464209 /nfs/dbraw/zinc/46/42/09/607464209.db2.gz LUXZKFDWGUUBRP-UHFFFAOYSA-N -1 3 268.324 2.599 20 30 CFEDHM C#CCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825609057 600750283 /nfs/dbraw/zinc/75/02/83/600750283.db2.gz PYYFYXRVKLLQJC-LLVKDONJSA-N -1 3 272.131 2.732 20 30 CFEDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860211 601316933 /nfs/dbraw/zinc/31/69/33/601316933.db2.gz ONCKSXBEXAEWNB-MRXNPFEDSA-N -1 3 296.326 2.522 20 30 CFEDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860211 601316935 /nfs/dbraw/zinc/31/69/35/601316935.db2.gz ONCKSXBEXAEWNB-MRXNPFEDSA-N -1 3 296.326 2.522 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251780794 601919550 /nfs/dbraw/zinc/91/95/50/601919550.db2.gz SQFYXHJWFPZAFZ-SMDDNHRTSA-N -1 3 290.388 2.511 20 30 CFEDHM N#Cc1ccc(CNCC2(NC(=O)[O-])CCCCCC2)o1 ZINC000831126385 603162570 /nfs/dbraw/zinc/16/25/70/603162570.db2.gz CADLVXAZOYQTLQ-UHFFFAOYSA-N -1 3 291.351 2.601 20 30 CFEDHM C/C(=C\CN1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000833383489 604491207 /nfs/dbraw/zinc/49/12/07/604491207.db2.gz NZZHNMUGSZWRLL-AWNIVKPZSA-N -1 3 282.343 2.678 20 30 CFEDHM CCCN(CCC)Cc1cccc(C(=O)[O-])c1C#N ZINC000833651295 604606029 /nfs/dbraw/zinc/60/60/29/604606029.db2.gz USPYNCUBNRKMMO-UHFFFAOYSA-N -1 3 260.337 2.878 20 30 CFEDHM C[C@@H]1CC[C@@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833602032 604609295 /nfs/dbraw/zinc/60/92/95/604609295.db2.gz HFPLGLXETZAPDK-VXGBXAGGSA-N -1 3 272.348 2.877 20 30 CFEDHM C[C@@H](NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820438641 606205297 /nfs/dbraw/zinc/20/52/97/606205297.db2.gz UABWPVDMHMRJPP-SNVBAGLBSA-N -1 3 298.375 2.613 20 30 CFEDHM C[C@@H](NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820438641 606205298 /nfs/dbraw/zinc/20/52/98/606205298.db2.gz UABWPVDMHMRJPP-SNVBAGLBSA-N -1 3 298.375 2.613 20 30 CFEDHM C=CCCCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000819734465 606335308 /nfs/dbraw/zinc/33/53/08/606335308.db2.gz OJQQFYPQKUYJAF-UHFFFAOYSA-N -1 3 291.380 2.840 20 30 CFEDHM C=CCCCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000819734465 606335309 /nfs/dbraw/zinc/33/53/09/606335309.db2.gz OJQQFYPQKUYJAF-UHFFFAOYSA-N -1 3 291.380 2.840 20 30 CFEDHM Fc1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822792434 606370961 /nfs/dbraw/zinc/37/09/61/606370961.db2.gz WGWUYJAMSXPBOL-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Oc2ccccc21 ZINC000823503026 606392950 /nfs/dbraw/zinc/39/29/50/606392950.db2.gz AILQMTXZFFJXRB-XFFZJAGNSA-N -1 3 296.311 2.544 20 30 CFEDHM N#Cc1nc(Oc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000822845998 606439200 /nfs/dbraw/zinc/43/92/00/606439200.db2.gz MQWFVQKEXTWNJP-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1nc(Oc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000822845998 606439201 /nfs/dbraw/zinc/43/92/01/606439201.db2.gz MQWFVQKEXTWNJP-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM CC(C)(C#N)CCSc1cccc(-c2nnn[n-]2)c1 ZINC000819892072 607011198 /nfs/dbraw/zinc/01/11/98/607011198.db2.gz SQOFAVKAHDLRLW-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM CC(C)(C#N)CCSc1cccc(-c2nn[n-]n2)c1 ZINC000819892072 607011199 /nfs/dbraw/zinc/01/11/99/607011199.db2.gz SQOFAVKAHDLRLW-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM Cc1ccc(C#N)cc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822224936 607042102 /nfs/dbraw/zinc/04/21/02/607042102.db2.gz GQOMAFBBEMFNQQ-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(C#N)cc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822224936 607042104 /nfs/dbraw/zinc/04/21/04/607042104.db2.gz GQOMAFBBEMFNQQ-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1cc(C)cc(NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826264443 607882905 /nfs/dbraw/zinc/88/29/05/607882905.db2.gz ORYWJNOFFZDGAR-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1cc(C)cc(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826264443 607882906 /nfs/dbraw/zinc/88/29/06/607882906.db2.gz ORYWJNOFFZDGAR-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826315779 607885478 /nfs/dbraw/zinc/88/54/78/607885478.db2.gz TUEJENRTXODRBN-SREVYHEPSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826315779 607885479 /nfs/dbraw/zinc/88/54/79/607885479.db2.gz TUEJENRTXODRBN-SREVYHEPSA-N -1 3 280.287 2.664 20 30 CFEDHM C[C@@H](NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824634655 607886418 /nfs/dbraw/zinc/88/64/18/607886418.db2.gz WJEFJMIZIIHHCC-GFCCVEGCSA-N -1 3 292.346 2.551 20 30 CFEDHM C[C@@H](NN=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824634655 607886419 /nfs/dbraw/zinc/88/64/19/607886419.db2.gz WJEFJMIZIIHHCC-GFCCVEGCSA-N -1 3 292.346 2.551 20 30 CFEDHM C=CCCCN(C)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823894610 608289028 /nfs/dbraw/zinc/28/90/28/608289028.db2.gz UVYWYKXKNVUEDI-UHFFFAOYSA-N -1 3 298.394 2.543 20 30 CFEDHM C=CCCCN(C)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823894610 608289030 /nfs/dbraw/zinc/28/90/30/608289030.db2.gz UVYWYKXKNVUEDI-UHFFFAOYSA-N -1 3 298.394 2.543 20 30 CFEDHM C[C@@H]1CCC[C@@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824925593 608533786 /nfs/dbraw/zinc/53/37/86/608533786.db2.gz FMTPLJOYZXGLLX-TZMCWYRMSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCC[C@@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925593 608533787 /nfs/dbraw/zinc/53/37/87/608533787.db2.gz FMTPLJOYZXGLLX-TZMCWYRMSA-N -1 3 298.394 2.768 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826315303 608880597 /nfs/dbraw/zinc/88/05/97/608880597.db2.gz FUDQTPCNDOOGHM-HWKANZROSA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826315303 608880601 /nfs/dbraw/zinc/88/06/01/608880601.db2.gz FUDQTPCNDOOGHM-HWKANZROSA-N -1 3 298.277 2.803 20 30 CFEDHM N#CC1(C(=O)N([O-])Cc2ccc(F)cc2)CCSCC1 ZINC000900679383 620701271 /nfs/dbraw/zinc/70/12/71/620701271.db2.gz OSBZDTUNFWTCMS-UHFFFAOYSA-N -1 3 294.351 2.580 20 30 CFEDHM C[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000824899298 609468281 /nfs/dbraw/zinc/46/82/81/609468281.db2.gz IWRGWIJXBGQZFR-NEPJUHHUSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000824899298 609468284 /nfs/dbraw/zinc/46/82/84/609468284.db2.gz IWRGWIJXBGQZFR-NEPJUHHUSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCCC[C@@H]1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824936634 609468866 /nfs/dbraw/zinc/46/88/66/609468866.db2.gz KRANHMUHHZTOEI-IUODEOHRSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCCC[C@@H]1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824936634 609468868 /nfs/dbraw/zinc/46/88/68/609468868.db2.gz KRANHMUHHZTOEI-IUODEOHRSA-N -1 3 298.394 2.768 20 30 CFEDHM N#CCc1ccc(COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826382698 609480401 /nfs/dbraw/zinc/48/04/01/609480401.db2.gz QWYFHAPZFGMZKL-UHFFFAOYSA-N -1 3 291.314 2.512 20 30 CFEDHM N#CCc1ccc(COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826382698 609480402 /nfs/dbraw/zinc/48/04/02/609480402.db2.gz QWYFHAPZFGMZKL-UHFFFAOYSA-N -1 3 291.314 2.512 20 30 CFEDHM C=CC[C@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823888556 609555105 /nfs/dbraw/zinc/55/51/05/609555105.db2.gz QGSZVRWUYAVODY-ZETCQYMHSA-N -1 3 278.747 2.600 20 30 CFEDHM C=CC[C@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823888556 609555107 /nfs/dbraw/zinc/55/51/07/609555107.db2.gz QGSZVRWUYAVODY-ZETCQYMHSA-N -1 3 278.747 2.600 20 30 CFEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000022728808 617798034 /nfs/dbraw/zinc/79/80/34/617798034.db2.gz MPMHUIHRVWFMSD-LICLKQGHSA-N -1 3 296.798 2.575 20 30 CFEDHM C=CCCCN(CC)C(=O)c1c([O-])cccc1OC ZINC000890811083 617909093 /nfs/dbraw/zinc/90/90/93/617909093.db2.gz PQIMUAJEQLKHCI-UHFFFAOYSA-N -1 3 263.337 2.829 20 30 CFEDHM C=CCCCN(CC)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000890812251 617910249 /nfs/dbraw/zinc/91/02/49/617910249.db2.gz VCQBLMAUPWHUJW-UHFFFAOYSA-N -1 3 290.363 2.779 20 30 CFEDHM CCc1cc(C(=O)[N-]c2scc(C)c2C#N)no1 ZINC000890896160 617938912 /nfs/dbraw/zinc/93/89/12/617938912.db2.gz FIJPBVUTUBPNFS-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NO[C@@H]2CCCCO2)c1 ZINC000901204294 620764484 /nfs/dbraw/zinc/76/44/84/620764484.db2.gz AWMCELNUNACDCC-GFCCVEGCSA-N -1 3 255.701 2.923 20 30 CFEDHM CC(=NO[C@H]1CCCCO1)c1cc([O-])cc(F)c1 ZINC000901206797 620764824 /nfs/dbraw/zinc/76/48/24/620764824.db2.gz ZAVRXLQBHFYDBU-ZDUSSCGKSA-N -1 3 253.273 2.799 20 30 CFEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(F)c([O-])c1 ZINC000901222339 620772922 /nfs/dbraw/zinc/77/29/22/620772922.db2.gz GFNAVFILCIFIPJ-GFCCVEGCSA-N -1 3 280.343 2.803 20 30 CFEDHM C=CC[C@H]1CCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000934461868 618042908 /nfs/dbraw/zinc/04/29/08/618042908.db2.gz ODUVFZXBWHDKLH-NSHDSACASA-N -1 3 271.320 2.593 20 30 CFEDHM CCOC(=O)C(C)(C)ON=Cc1cc([O-])cc(Cl)c1 ZINC000901250436 620772347 /nfs/dbraw/zinc/77/23/47/620772347.db2.gz TZKNCZHTMXSOHK-UHFFFAOYSA-N -1 3 285.727 2.738 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccccc1SC ZINC000846551214 618113786 /nfs/dbraw/zinc/11/37/86/618113786.db2.gz XYLFSPAQCGMDGM-SNVBAGLBSA-N -1 3 251.351 2.573 20 30 CFEDHM COCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255277849 618154783 /nfs/dbraw/zinc/15/47/83/618154783.db2.gz UCERXUDQJUTMDN-UHFFFAOYSA-N -1 3 273.288 2.700 20 30 CFEDHM C[C@@H]1CC(NN=Cc2c(F)ccc([O-])c2F)C[C@@H](C)O1 ZINC000901309037 620782172 /nfs/dbraw/zinc/78/21/72/620782172.db2.gz YUQVSDMUXSJCCX-RKDXNWHRSA-N -1 3 284.306 2.550 20 30 CFEDHM CC[C@@H](CC#N)NCc1cccc(Br)c1[O-] ZINC000054184109 618277047 /nfs/dbraw/zinc/27/70/47/618277047.db2.gz XEHLAXVXMRNCQB-JTQLQIEISA-N -1 3 283.169 2.937 20 30 CFEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000901372144 620797216 /nfs/dbraw/zinc/79/72/16/620797216.db2.gz RZOLFECBNAWSEQ-RISCZKNCSA-N -1 3 281.327 2.749 20 30 CFEDHM O=C(c1cccc2c1OCO2)N([O-])Cc1ccc(F)cc1 ZINC000901374060 620798149 /nfs/dbraw/zinc/79/81/49/620798149.db2.gz CORDUYKNWBVTBH-UHFFFAOYSA-N -1 3 289.262 2.586 20 30 CFEDHM O=C(CCc1cscn1)N([O-])Cc1ccc(F)cc1 ZINC000901374674 620798445 /nfs/dbraw/zinc/79/84/45/620798445.db2.gz QNSCXAVMUWITPJ-UHFFFAOYSA-N -1 3 280.324 2.633 20 30 CFEDHM CCC(F)(F)C(=O)[N-][C@]1(C#N)CCc2ccccc2C1 ZINC000832336220 625286105 /nfs/dbraw/zinc/28/61/05/625286105.db2.gz NEXWCMWFCCPCLL-CQSZACIVSA-N -1 3 278.302 2.599 20 30 CFEDHM C#C[C@H](NCc1ncc(Br)cc1[O-])C(C)(C)C ZINC000894517111 619407656 /nfs/dbraw/zinc/40/76/56/619407656.db2.gz FCNZSTAHRUTVLB-LBPRGKRZSA-N -1 3 297.196 2.687 20 30 CFEDHM C=CCC1(O)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000895833613 619619648 /nfs/dbraw/zinc/61/96/48/619619648.db2.gz ANFMYGPWDCHEGS-UHFFFAOYSA-N -1 3 281.783 2.949 20 30 CFEDHM N#C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000896501644 619750754 /nfs/dbraw/zinc/75/07/54/619750754.db2.gz GTRBVUMLQQAWGY-SNVBAGLBSA-N -1 3 250.729 2.781 20 30 CFEDHM C=C[C@@H](CC)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000896696418 619792828 /nfs/dbraw/zinc/79/28/28/619792828.db2.gz IXEGSCVOJRLETB-JTQLQIEISA-N -1 3 274.324 2.914 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/CC1=CCOCC1 ZINC000840706695 619858753 /nfs/dbraw/zinc/85/87/53/619858753.db2.gz JSZYHTRNLYPSQE-OQLLNIDSSA-N -1 3 296.164 2.920 20 30 CFEDHM C=CCN(CC=C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079435584 620018144 /nfs/dbraw/zinc/01/81/44/620018144.db2.gz SAGBWIFDGBFUGY-UHFFFAOYSA-N -1 3 263.312 2.908 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888117466 620121399 /nfs/dbraw/zinc/12/13/99/620121399.db2.gz LFSXFKVEDKVJGE-UHFFFAOYSA-N -1 3 291.351 2.682 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888117466 620121402 /nfs/dbraw/zinc/12/14/02/620121402.db2.gz LFSXFKVEDKVJGE-UHFFFAOYSA-N -1 3 291.351 2.682 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2cn(C3CC3)cn2)cc(O)c1[O-] ZINC000901525032 620845246 /nfs/dbraw/zinc/84/52/46/620845246.db2.gz SUOBGPCUUQSBJM-DJWKRKHSSA-N -1 3 284.315 2.834 20 30 CFEDHM CC(C)(C)CC(=O)[N-]OCCCOc1ccc(C#N)cc1 ZINC000842063745 621207192 /nfs/dbraw/zinc/20/71/92/621207192.db2.gz RLGYFWURKJACSQ-UHFFFAOYSA-N -1 3 290.363 2.811 20 30 CFEDHM C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000903408152 621363287 /nfs/dbraw/zinc/36/32/87/621363287.db2.gz FCYRPSCEBXAPKB-IINYFYTJSA-N -1 3 292.766 2.754 20 30 CFEDHM C=C(Br)CN1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903952463 621488410 /nfs/dbraw/zinc/48/84/10/621488410.db2.gz YUUFFNKMPNAJPS-IANFPDNMSA-N -1 3 290.201 2.715 20 30 CFEDHM C=CCCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903922265 621473871 /nfs/dbraw/zinc/47/38/71/621473871.db2.gz WEOMRFPBJDBUJR-UHFFFAOYSA-N -1 3 275.348 2.936 20 30 CFEDHM CO[C@@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170382 621541002 /nfs/dbraw/zinc/54/10/02/621541002.db2.gz 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CC[C@@H](CC#N)NCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000846985637 632869272 /nfs/dbraw/zinc/86/92/72/632869272.db2.gz GVWBDEFRLBRVLZ-LBPRGKRZSA-N -1 3 286.331 2.589 20 30 CFEDHM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854700146 635373000 /nfs/dbraw/zinc/37/30/00/635373000.db2.gz OCYYCXQBEIBIAN-ZDUSSCGKSA-N -1 3 296.273 2.605 20 30 CFEDHM C#C[C@](C)(CC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000854702570 635375092 /nfs/dbraw/zinc/37/50/92/635375092.db2.gz SWLGBTBEHZDVQY-MRXNPFEDSA-N -1 3 277.339 2.772 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000855439068 635552006 /nfs/dbraw/zinc/55/20/06/635552006.db2.gz UVXLJZOPPDIKKB-LLVKDONJSA-N -1 3 289.331 2.549 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000856031977 635706239 /nfs/dbraw/zinc/70/62/39/635706239.db2.gz FULVPVPEDPIWPZ-LBPRGKRZSA-N -1 3 261.321 2.567 20 30 CFEDHM C=CCCONC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000856033328 635708811 /nfs/dbraw/zinc/70/88/11/635708811.db2.gz COODIQCPSSKHKT-UHFFFAOYSA-N -1 3 261.321 2.509 20 30 CFEDHM C=CCCO[N-]C(=O)CCCC(=O)c1cccc(OC)c1 ZINC000856035952 635709927 /nfs/dbraw/zinc/70/99/27/635709927.db2.gz PBWMBUAZITUDDF-UHFFFAOYSA-N -1 3 291.347 2.672 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cccc(C)c1Cl ZINC000856034473 635710313 /nfs/dbraw/zinc/71/03/13/635710313.db2.gz HPPDUWGONJRADG-UHFFFAOYSA-N -1 3 253.729 2.815 20 30 CFEDHM C[C@@]1(C#N)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000856198046 635753220 /nfs/dbraw/zinc/75/32/20/635753220.db2.gz OEDVVQPZRKFVAN-HNNXBMFYSA-N -1 3 286.356 2.983 20 30 CFEDHM N#CCCCOC(=O)c1cc([O-])cc(Br)c1 ZINC000860202011 636825396 /nfs/dbraw/zinc/82/53/96/636825396.db2.gz RBLREBHVAQNZLE-UHFFFAOYSA-N -1 3 284.109 2.615 20 30 CFEDHM N#CC1(CNCc2c([O-])cccc2Br)CC1 ZINC000862353729 637327638 /nfs/dbraw/zinc/32/76/38/637327638.db2.gz YIWSAOVRXYLSNR-UHFFFAOYSA-N -1 3 281.153 2.548 20 30 CFEDHM CC[C@H](C)NN=Cc1c([O-])cccc1Br ZINC000863107635 637557613 /nfs/dbraw/zinc/55/76/13/637557613.db2.gz XFVQYSLIFUUNOS-QMMMGPOBSA-N -1 3 271.158 2.877 20 30 CFEDHM COc1ncccc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866227553 638774513 /nfs/dbraw/zinc/77/45/13/638774513.db2.gz FCNCVANSSBGTFM-NSHDSACASA-N -1 3 283.331 2.518 20 30 CFEDHM Cc1cnc(CN[C@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866273906 638786657 /nfs/dbraw/zinc/78/66/57/638786657.db2.gz DLFNRVDWRQAFKZ-SNVBAGLBSA-N -1 3 273.361 2.880 20 30 CFEDHM C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1[O-] ZINC000866368104 638806442 /nfs/dbraw/zinc/80/64/42/638806442.db2.gz WNFZMFSPAJRKEY-COPLHBTASA-N -1 3 282.347 2.817 20 30 CFEDHM Cc1noc(C)c1[C@@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870691374 639773319 /nfs/dbraw/zinc/77/33/19/639773319.db2.gz JKXZUXXIGXJDRA-JTQLQIEISA-N -1 3 299.330 2.767 20 30 CFEDHM C=CCN(Cc1cccs1)C(=O)c1cccc(O)c1[O-] ZINC000192895005 650606872 /nfs/dbraw/zinc/60/68/72/650606872.db2.gz GGGGRDTUMOXMEB-UHFFFAOYSA-N -1 3 289.356 2.988 20 30 CFEDHM C=C(C)CN1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872164451 641685183 /nfs/dbraw/zinc/68/51/83/641685183.db2.gz IKNIVRUEPVZGGK-UHFFFAOYSA-N -1 3 280.393 2.905 20 30 CFEDHM CCOc1cc(C=NN2CCC2)cc(Br)c1[O-] ZINC000872395784 641791283 /nfs/dbraw/zinc/79/12/83/641791283.db2.gz DEBDDWXWIQREOT-UHFFFAOYSA-N -1 3 299.168 2.593 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878887950 644062881 /nfs/dbraw/zinc/06/28/81/644062881.db2.gz YQMFINKPVYEIIE-LBPRGKRZSA-N -1 3 298.346 2.568 20 30 CFEDHM COC(=O)C(C)(C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000129358780 645163021 /nfs/dbraw/zinc/16/30/21/645163021.db2.gz KGKGUGIHCITVHN-VIZOYTHASA-N -1 3 269.728 2.664 20 30 CFEDHM CCc1onc(C)c1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000927134442 648724261 /nfs/dbraw/zinc/72/42/61/648724261.db2.gz KUQNJEIIDQSLIY-JTQLQIEISA-N -1 3 285.347 2.974 20 30 CFEDHM C=C(C)[C@@H](CC(=O)NCc1c([O-])cccc1F)OCC ZINC000928704848 648944188 /nfs/dbraw/zinc/94/41/88/648944188.db2.gz FTLOGIOKEYQVQT-CQSZACIVSA-N -1 3 281.327 2.519 20 30 CFEDHM N#CCCc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000932568424 649620812 /nfs/dbraw/zinc/62/08/12/649620812.db2.gz BLGPMJVRTXFLBA-CQSZACIVSA-N -1 3 289.335 2.722 20 30 CFEDHM N#CCCc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000932568424 649620815 /nfs/dbraw/zinc/62/08/15/649620815.db2.gz BLGPMJVRTXFLBA-CQSZACIVSA-N -1 3 289.335 2.722 20 30 CFEDHM CNc1cc(C([O-])=C(C#N)c2ccccn2)cc(Cl)n1 ZINC000118912312 651294739 /nfs/dbraw/zinc/29/47/39/651294739.db2.gz BTIWORVOKYTKJR-JTQLQIEISA-N -1 3 286.722 2.662 20 30 CFEDHM COc1cc([O-])c(CN(C)[C@@H](C)C#N)cc1Br ZINC001233141466 777806651 /nfs/dbraw/zinc/80/66/51/777806651.db2.gz JNNIDYZCOHWOGD-QMMMGPOBSA-N -1 3 299.168 2.507 20 30 CFEDHM C#C[C@H](Oc1[n-]c(=S)ncc1C)c1ccccc1 ZINC001225742894 775579931 /nfs/dbraw/zinc/57/99/31/775579931.db2.gz QLIBLMQUXLQVBB-LBPRGKRZSA-N -1 3 256.330 2.827 20 30 CFEDHM CCOC(=O)CC1CC(Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114894 775703882 /nfs/dbraw/zinc/70/38/82/775703882.db2.gz UAZOUMSZLDFYBG-MHWRWJLKSA-N -1 3 277.320 2.605 20 30 CFEDHM CCC(CC)[C@@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226255380 775756975 /nfs/dbraw/zinc/75/69/75/775756975.db2.gz IMUCPCHQSVJLNX-KMHUVPDISA-N -1 3 251.330 2.878 20 30 CFEDHM C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)nnc1C ZINC001226462067 775832825 /nfs/dbraw/zinc/83/28/25/775832825.db2.gz BHRTWWRLNRCSJA-LLVKDONJSA-N -1 3 287.319 2.590 20 30 CFEDHM CCc1nc(O[C@H](C#N)c2ccccc2F)cc(=O)[n-]1 ZINC001226474240 775838311 /nfs/dbraw/zinc/83/83/11/775838311.db2.gz DFPFJFMADOMAQM-LLVKDONJSA-N -1 3 273.267 2.527 20 30 CFEDHM CCc1nc(O[C@@H](C)c2ccccc2C#N)cc(=O)[n-]1 ZINC001226475882 775839104 /nfs/dbraw/zinc/83/91/04/775839104.db2.gz NKJQOPGDWFAWJD-JTQLQIEISA-N -1 3 269.304 2.756 20 30 CFEDHM CC(=O)c1ccc([O-])c(O[C@@H](C#N)c2ccccc2)c1O ZINC001226479753 775840346 /nfs/dbraw/zinc/84/03/46/775840346.db2.gz SPMFITFGNCBAGF-AWEZNQCLSA-N -1 3 283.283 2.944 20 30 CFEDHM CC#CC[C@@H](CC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226483605 775842944 /nfs/dbraw/zinc/84/29/44/775842944.db2.gz WPIMLFBIBZLBMF-LLVKDONJSA-N -1 3 262.305 2.871 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599368 775887028 /nfs/dbraw/zinc/88/70/28/775887028.db2.gz LZRALAJTPAQNDS-MFKMUULPSA-N -1 3 270.284 2.679 20 30 CFEDHM Cc1cc(O[C@H](C#N)c2cccc(F)c2)[n-]c(=S)n1 ZINC001226802975 775971968 /nfs/dbraw/zinc/97/19/68/775971968.db2.gz MBARMHCLWPYNDB-LLVKDONJSA-N -1 3 275.308 2.857 20 30 CFEDHM CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1OC ZINC001226829183 775982816 /nfs/dbraw/zinc/98/28/16/775982816.db2.gz YLVIEFXFFQDUNA-CQSZACIVSA-N -1 3 298.342 2.790 20 30 CFEDHM C=CC[C@H](Oc1[n-]c(=O)nc2nccnc21)c1ccccc1 ZINC001226990684 776051835 /nfs/dbraw/zinc/05/18/35/776051835.db2.gz ZYNQVZPJVGHIOF-LBPRGKRZSA-N -1 3 294.314 2.822 20 30 CFEDHM C#C[C@H](CC(C)C)Oc1[n-]c(=S)ncc1CC ZINC001227061344 776080391 /nfs/dbraw/zinc/08/03/91/776080391.db2.gz HKWLOVQWVLCCAS-LLVKDONJSA-N -1 3 250.367 2.754 20 30 CFEDHM C[C@H](Oc1cc(C#N)ccc1[O-])C(=O)OCc1ccccc1 ZINC001227348715 776181326 /nfs/dbraw/zinc/18/13/26/776181326.db2.gz BLSABLOBMXZMDY-LBPRGKRZSA-N -1 3 297.310 2.775 20 30 CFEDHM C#C[C@H](CCCCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692087 776259628 /nfs/dbraw/zinc/25/96/28/776259628.db2.gz SYUQOSZHUCUWFC-SNVBAGLBSA-N -1 3 288.307 2.827 20 30 CFEDHM CCC#C[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746766 776278476 /nfs/dbraw/zinc/27/84/76/776278476.db2.gz UHNGHCDLSQNIJT-VIFPVBQESA-N -1 3 259.265 2.652 20 30 CFEDHM CCC#C[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746766 776278481 /nfs/dbraw/zinc/27/84/81/776278481.db2.gz UHNGHCDLSQNIJT-VIFPVBQESA-N -1 3 259.265 2.652 20 30 CFEDHM N#C[C@@H](Oc1nccc(=S)[n-]1)c1ccccc1F ZINC001228128823 776403397 /nfs/dbraw/zinc/40/33/97/776403397.db2.gz QAAYSAGQJRSYLG-SNVBAGLBSA-N -1 3 261.281 2.548 20 30 CFEDHM C#CC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675757 776564191 /nfs/dbraw/zinc/56/41/91/776564191.db2.gz SWCUWVPUCYCZCY-SECBINFHSA-N -1 3 259.265 2.570 20 30 CFEDHM CC#CC[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228690050 776569809 /nfs/dbraw/zinc/56/98/09/776569809.db2.gz YZKGIWFZXJNULT-JTQLQIEISA-N -1 3 264.281 2.575 20 30 CFEDHM N#C[C@@H](Oc1nnc(-c2ccncc2)[n-]1)c1cccc(F)c1 ZINC001228699015 776574510 /nfs/dbraw/zinc/57/45/10/776574510.db2.gz BPYINQMZVHLNFE-CYBMUJFWSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1nc(-c2ccncc2)n[n-]1)c1cccc(F)c1 ZINC001228699015 776574519 /nfs/dbraw/zinc/57/45/19/776574519.db2.gz BPYINQMZVHLNFE-CYBMUJFWSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1cccc(F)c1 ZINC001228699015 776574528 /nfs/dbraw/zinc/57/45/28/776574528.db2.gz BPYINQMZVHLNFE-CYBMUJFWSA-N -1 3 295.277 2.649 20 30 CFEDHM N#CC1CC(Oc2nc(=S)[n-]c3sccc32)C1 ZINC001229570860 776848844 /nfs/dbraw/zinc/84/88/44/776848844.db2.gz VFHFQLRLXIJRMG-UHFFFAOYSA-N -1 3 263.347 2.661 20 30 CFEDHM C[C@H](CS)Oc1nc(=S)[n-]c2sccc21 ZINC001229568118 776849932 /nfs/dbraw/zinc/84/99/32/776849932.db2.gz WQDPZVNANLOBFD-RXMQYKEDSA-N -1 3 258.393 2.677 20 30 CFEDHM C#C[C@@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229686394 776873204 /nfs/dbraw/zinc/87/32/04/776873204.db2.gz QYASLDBOUGOBQQ-CYBMUJFWSA-N -1 3 254.289 2.552 20 30 CFEDHM C#C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229955026 776924098 /nfs/dbraw/zinc/92/40/98/776924098.db2.gz RENMWKXMNVFYPN-CQSZACIVSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229955026 776924102 /nfs/dbraw/zinc/92/41/02/776924102.db2.gz RENMWKXMNVFYPN-CQSZACIVSA-N -1 3 276.299 2.620 20 30 CFEDHM N#C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC001231075829 777133816 /nfs/dbraw/zinc/13/38/16/777133816.db2.gz GIMLSGLBAHRRAN-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC001231075829 777133821 /nfs/dbraw/zinc/13/38/21/777133821.db2.gz GIMLSGLBAHRRAN-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC001231075402 777134359 /nfs/dbraw/zinc/13/43/59/777134359.db2.gz BKIXTBAKEMKNDL-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC001231075402 777134363 /nfs/dbraw/zinc/13/43/63/777134363.db2.gz BKIXTBAKEMKNDL-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121539 777147891 /nfs/dbraw/zinc/14/78/91/777147891.db2.gz MEQKWIXRKZNCBZ-CYBMUJFWSA-N -1 3 282.347 2.850 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121539 777147900 /nfs/dbraw/zinc/14/79/00/777147900.db2.gz MEQKWIXRKZNCBZ-CYBMUJFWSA-N -1 3 282.347 2.850 20 30 CFEDHM N#C[C@@H]1C[C@H](F)CN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526667 777253867 /nfs/dbraw/zinc/25/38/67/777253867.db2.gz RGTLOKJJLPQELK-UWVGGRQHSA-N -1 3 288.244 2.847 20 30 CFEDHM N#Cc1ccc([O-])c(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001232677534 777638226 /nfs/dbraw/zinc/63/82/26/777638226.db2.gz FTCYSOFERUOUQT-UHFFFAOYSA-N -1 3 280.327 2.528 20 30 CFEDHM N#Cc1ccc([O-])c(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001232677534 777638229 /nfs/dbraw/zinc/63/82/29/777638229.db2.gz FTCYSOFERUOUQT-UHFFFAOYSA-N -1 3 280.327 2.528 20 30 CFEDHM COc1cccc2c1CN(Cc1cc(C#N)ccc1[O-])CC2 ZINC001232674360 777638691 /nfs/dbraw/zinc/63/86/91/777638691.db2.gz YAGZPVGKAFEKNP-UHFFFAOYSA-N -1 3 294.354 2.831 20 30 CFEDHM CC[C@H](C#Cc1ccccc1)Oc1ccnc(=S)[n-]1 ZINC001226942342 777705376 /nfs/dbraw/zinc/70/53/76/777705376.db2.gz KVVRKLYVTVPIQB-CYBMUJFWSA-N -1 3 270.357 2.974 20 30 CFEDHM [O-]c1c(F)c(F)ccc1CN1CCC(S)CC1 ZINC001233078161 777790081 /nfs/dbraw/zinc/79/00/81/777790081.db2.gz JARIDIWGINUQEK-UHFFFAOYSA-N -1 3 259.321 2.565 20 30 CFEDHM C[C@]1(F)CCN(Cc2ccc(C#N)cc2[O-])C[C@H]1F ZINC001233383225 777924146 /nfs/dbraw/zinc/92/41/46/777924146.db2.gz AYJNKCCDNQMWMR-KGLIPLIRSA-N -1 3 266.291 2.536 20 30 CFEDHM N#C[C@@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396036 777933654 /nfs/dbraw/zinc/93/36/54/777933654.db2.gz FWOKSFFWJFUXLJ-VIFPVBQESA-N -1 3 252.264 2.548 20 30 CFEDHM [O-]c1ccc(F)c(CN2CCC(S)CC2)c1F ZINC001233396250 777934571 /nfs/dbraw/zinc/93/45/71/777934571.db2.gz RRHZNVKDZZIUQF-UHFFFAOYSA-N -1 3 259.321 2.565 20 30 CFEDHM CC1(C#N)CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233452163 777957834 /nfs/dbraw/zinc/95/78/34/777957834.db2.gz MKFXAARPGKSELZ-UHFFFAOYSA-N -1 3 270.254 2.756 20 30 CFEDHM N#CC=C([O-])c1ccccc1OC[C@H]1CCC=CO1 ZINC001233522092 777977021 /nfs/dbraw/zinc/97/70/21/777977021.db2.gz AXDSOKIFLUVOSD-GFCCVEGCSA-N -1 3 257.289 2.854 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H]1Cc2ccccc2O1 ZINC001233800466 778080384 /nfs/dbraw/zinc/08/03/84/778080384.db2.gz QVGOXYNGWKYIQZ-XKYMITNMSA-N -1 3 299.326 2.886 20 30 CFEDHM N#Cc1cc([O-])cc(O[C@@H]2COCc3ccccc32)c1 ZINC001234144960 778175763 /nfs/dbraw/zinc/17/57/63/778175763.db2.gz YGGVKLRMAZQOEF-MRXNPFEDSA-N -1 3 267.284 2.914 20 30 CFEDHM N#Cc1cc([O-])cc(OC[C@H]2CC[C@]3(CCCCO3)O2)c1 ZINC001234144706 778175900 /nfs/dbraw/zinc/17/59/00/778175900.db2.gz TTXLCBFUIQXBRI-ZBFHGGJFSA-N -1 3 289.331 2.718 20 30 CFEDHM CCOC(=O)[C@H]1CC[C@H](Oc2cc([O-])cc(C#N)c2)CC1 ZINC001234145017 778176273 /nfs/dbraw/zinc/17/62/73/778176273.db2.gz ZPIZMFWKJIKNSH-MQMHXKEQSA-N -1 3 289.331 2.765 20 30 CFEDHM CC[C@@H](C#CC(=O)OC)Oc1c([O-])cc(Cl)cc1F ZINC001234443212 778227703 /nfs/dbraw/zinc/22/77/03/778227703.db2.gz DJQWQDZSEYXZIT-VIFPVBQESA-N -1 3 286.686 2.519 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3C[C@@H]4CC[C@H]3C4)c12 ZINC001234512214 778240773 /nfs/dbraw/zinc/24/07/73/778240773.db2.gz BDXGWGJQQVCUSB-GBIKHYSHSA-N -1 3 281.315 2.774 20 30 CFEDHM C=C[C@@H](CCC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234907153 778327288 /nfs/dbraw/zinc/32/72/88/778327288.db2.gz VNSVEKBBYZVACQ-VIFPVBQESA-N -1 3 266.366 2.954 20 30 CFEDHM N#C[C@@H]1COCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996304 778347346 /nfs/dbraw/zinc/34/73/46/778347346.db2.gz ACIWWYHMQQQCOW-MRXNPFEDSA-N -1 3 294.354 2.784 20 30 CFEDHM C=C(CNC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000436737402 778648987 /nfs/dbraw/zinc/64/89/87/778648987.db2.gz QPZSHRRYQLPMIU-UHFFFAOYSA-N -1 3 297.310 2.564 20 30 CFEDHM N#C[C@@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236688457 778910493 /nfs/dbraw/zinc/91/04/93/778910493.db2.gz UZZZOVPNZJWJFY-JTQLQIEISA-N -1 3 281.153 2.500 20 30 CFEDHM C=C(C)CCc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000350571297 779033289 /nfs/dbraw/zinc/03/32/89/779033289.db2.gz CCCHTTXYYSFDFR-UHFFFAOYSA-N -1 3 274.276 2.680 20 30 CFEDHM C=C1O[C@H](CC)C(=O)C1Oc1nc2ccsc2[n-]1 ZINC001234848756 779272480 /nfs/dbraw/zinc/27/24/80/779272480.db2.gz SNXHFMFVDZQMSG-MRVPVSSYSA-N -1 3 264.306 2.613 20 30 CFEDHM CC(=O)NCc1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240352088 780103482 /nfs/dbraw/zinc/10/34/82/780103482.db2.gz KCVMZVSUGPDNRM-VXLYETTFSA-N -1 3 286.306 2.937 20 30 CFEDHM N#Cc1ncc(F)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212484121 780400050 /nfs/dbraw/zinc/40/00/50/780400050.db2.gz LDGXMKUMWOOUBU-UHFFFAOYSA-N -1 3 265.194 2.820 20 30 CFEDHM N#Cc1cccc(O)c1Nc1cc(F)cc(F)c1[O-] ZINC001212489633 780409156 /nfs/dbraw/zinc/40/91/56/780409156.db2.gz VZBZHKQGTZAATN-UHFFFAOYSA-N -1 3 262.215 2.991 20 30 CFEDHM CCO[C@H](C)n1cc(-c2ccccc2C=N[O-])cn1 ZINC001240758962 780421902 /nfs/dbraw/zinc/42/19/02/780421902.db2.gz JUXKXJHLJXAQAT-LLVKDONJSA-N -1 3 259.309 2.913 20 30 CFEDHM COC(=O)c1ccc(-c2ccccc2[O-])c(C#N)c1 ZINC001241007892 780588817 /nfs/dbraw/zinc/58/88/17/780588817.db2.gz BQZAMJGBYPNLNZ-UHFFFAOYSA-N -1 3 253.257 2.717 20 30 CFEDHM N#Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001241435455 780881600 /nfs/dbraw/zinc/88/16/00/780881600.db2.gz ZXGXLCULJXHQQG-UHFFFAOYSA-N -1 3 251.314 2.916 20 30 CFEDHM SCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241446263 780900203 /nfs/dbraw/zinc/90/02/03/780900203.db2.gz SRVFTNXLQDDDHD-UHFFFAOYSA-N -1 3 268.345 2.964 20 30 CFEDHM SCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241446263 780900208 /nfs/dbraw/zinc/90/02/08/780900208.db2.gz SRVFTNXLQDDDHD-UHFFFAOYSA-N -1 3 268.345 2.964 20 30 CFEDHM COc1ccc(-c2nccc3[nH]cc(C#N)c32)cc1C(=O)[O-] ZINC001241856415 781155543 /nfs/dbraw/zinc/15/55/43/781155543.db2.gz QEYXHEJZRUWAPD-UHFFFAOYSA-N -1 3 293.282 2.808 20 30 CFEDHM O=C1NCCc2cc(-c3cc(/C=N/[O-])ccc3F)ccc21 ZINC001242325758 781400795 /nfs/dbraw/zinc/40/07/95/781400795.db2.gz NXAWPXVAIXSDPF-DJKKODMXSA-N -1 3 284.290 2.587 20 30 CFEDHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C#N)cc1C ZINC001242473163 781528979 /nfs/dbraw/zinc/52/89/79/781528979.db2.gz RKCWQBKNEQJKNJ-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C#N)cc1C ZINC001242473163 781528985 /nfs/dbraw/zinc/52/89/85/781528985.db2.gz RKCWQBKNEQJKNJ-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242542622 781581345 /nfs/dbraw/zinc/58/13/45/781581345.db2.gz MLOCQOLUDNGAEM-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242542622 781581357 /nfs/dbraw/zinc/58/13/57/781581357.db2.gz MLOCQOLUDNGAEM-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM N#Cc1cc(F)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242584907 781617852 /nfs/dbraw/zinc/61/78/52/781617852.db2.gz CPWSQFPWXAOQMS-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cc(F)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242584907 781617857 /nfs/dbraw/zinc/61/78/57/781617857.db2.gz CPWSQFPWXAOQMS-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM Cc1ccc(-c2ccc(F)cc2C#N)cc1-c1nnn[n-]1 ZINC001242584778 781617980 /nfs/dbraw/zinc/61/79/80/781617980.db2.gz SQOPTDZPPBKVFY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(F)cc2C#N)cc1-c1nn[n-]n1 ZINC001242584778 781617986 /nfs/dbraw/zinc/61/79/86/781617986.db2.gz SQOPTDZPPBKVFY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM N#Cc1ccccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242716382 781715718 /nfs/dbraw/zinc/71/57/18/781715718.db2.gz TVAXEEHDWUDNHO-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242716382 781715725 /nfs/dbraw/zinc/71/57/25/781715725.db2.gz TVAXEEHDWUDNHO-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM Cc1cc(-c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001242768370 781751639 /nfs/dbraw/zinc/75/16/39/781751639.db2.gz VHSPBMRWDMHGJS-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(-c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001242768370 781751643 /nfs/dbraw/zinc/75/16/43/781751643.db2.gz VHSPBMRWDMHGJS-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM CC(C)(C#N)c1ccc(CNCc2ncccc2[O-])cc1 ZINC000594522668 349442235 /nfs/dbraw/zinc/44/22/35/349442235.db2.gz NNPMVDDVZRUVLP-UHFFFAOYSA-N -1 3 281.359 2.878 20 30 CFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000594817066 349489165 /nfs/dbraw/zinc/48/91/65/349489165.db2.gz MNJIJDCVTSTNBW-UHFFFAOYSA-N -1 3 291.463 2.644 20 30 CFEDHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126740689 187260210 /nfs/dbraw/zinc/26/02/10/187260210.db2.gz SSRVAVHJFYVOHJ-SECBINFHSA-N -1 3 298.795 2.679 20 30 CFEDHM N#Cc1[n-]c(=NCCC[C@H]2CCCCO2)sc1Cl ZINC000596192689 349822942 /nfs/dbraw/zinc/82/29/42/349822942.db2.gz UNXLBIWQSLCQPQ-SECBINFHSA-N -1 3 285.800 2.851 20 30 CFEDHM COCC(C)(C)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596245302 349838772 /nfs/dbraw/zinc/83/87/72/349838772.db2.gz XCJSNFVKAFDERG-UHFFFAOYSA-N -1 3 287.816 2.955 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2C[C@H]2C2CCC2)sc1Cl ZINC000596275901 349850801 /nfs/dbraw/zinc/85/08/01/349850801.db2.gz ZSEUIJJKWFUHHM-IUCAKERBSA-N -1 3 267.785 2.938 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073973450 346987377 /nfs/dbraw/zinc/98/73/77/346987377.db2.gz BYZVFVSTUKMJBJ-UHFFFAOYSA-N -1 3 279.259 2.573 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073973450 346987380 /nfs/dbraw/zinc/98/73/80/346987380.db2.gz BYZVFVSTUKMJBJ-UHFFFAOYSA-N -1 3 279.259 2.573 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073973450 346987382 /nfs/dbraw/zinc/98/73/82/346987382.db2.gz BYZVFVSTUKMJBJ-UHFFFAOYSA-N -1 3 279.259 2.573 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccsc2)nc(C)n1 ZINC000041562905 346352392 /nfs/dbraw/zinc/35/23/92/346352392.db2.gz CPEMPQPOCUWVAO-NSHDSACASA-N -1 3 257.318 2.645 20 30 CFEDHM CNc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000041493859 346352471 /nfs/dbraw/zinc/35/24/71/346352471.db2.gz FHIZNEIMHMZGMW-LLVKDONJSA-N -1 3 296.286 2.522 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccccc2C)nc(C)n1 ZINC000041574214 346352985 /nfs/dbraw/zinc/35/29/85/346352985.db2.gz KYXMMNCDGPINPV-CQSZACIVSA-N -1 3 265.316 2.892 20 30 CFEDHM COc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000045217652 346405726 /nfs/dbraw/zinc/40/57/26/346405726.db2.gz BYTMAXQINUUHTE-NSHDSACASA-N -1 3 296.326 2.763 20 30 CFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[O-] ZINC000045621318 346412043 /nfs/dbraw/zinc/41/20/43/346412043.db2.gz BUINTSPIOVNQGN-LLVKDONJSA-N -1 3 282.299 2.670 20 30 CFEDHM COc1cccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1[O-] ZINC000078266720 347236804 /nfs/dbraw/zinc/23/68/04/347236804.db2.gz OFIAOKMTHXBXBR-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM N#Cc1cc(C(=O)Nc2cccc([O-])c2)ccc1F ZINC000082271790 347442943 /nfs/dbraw/zinc/44/29/43/347442943.db2.gz PYHZQVKXCQBNOY-UHFFFAOYSA-N -1 3 256.236 2.655 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCCC23CCOCC3)c1O ZINC000283796575 348344888 /nfs/dbraw/zinc/34/48/88/348344888.db2.gz NCACEMFQKNFDFW-VGSSETLESA-N -1 3 291.347 2.572 20 30 CFEDHM CCc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1[O-] ZINC000589836395 348859158 /nfs/dbraw/zinc/85/91/58/348859158.db2.gz OGXQJPYDYQKWJG-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM CCc1cc(C(=O)N2CCC[C@](C)(C#N)C2)ccc1[O-] ZINC000589844957 348860561 /nfs/dbraw/zinc/86/05/61/348860561.db2.gz FMDIUZBBGZJGKA-MRXNPFEDSA-N -1 3 272.348 2.720 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000591339154 349010370 /nfs/dbraw/zinc/01/03/70/349010370.db2.gz RNZORARARLIZEU-CYBMUJFWSA-N -1 3 264.350 2.608 20 30 CFEDHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539020 349291483 /nfs/dbraw/zinc/29/14/83/349291483.db2.gz XATCVOKEFQAGJF-MNOVXSKESA-N -1 3 298.433 2.724 20 30 CFEDHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000593557760 349293038 /nfs/dbraw/zinc/29/30/38/349293038.db2.gz QHGSKPQONDUVSO-UHFFFAOYSA-N -1 3 286.422 2.724 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593589854 349296109 /nfs/dbraw/zinc/29/61/09/349296109.db2.gz YBTOWNCUYUSPGC-GHMZBOCLSA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@@H](C#N)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000593730441 349315278 /nfs/dbraw/zinc/31/52/78/349315278.db2.gz INCZVVDCEQNGMY-QMMMGPOBSA-N -1 3 297.152 2.951 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1ccsc1C#N ZINC000594473980 349427583 /nfs/dbraw/zinc/42/75/83/349427583.db2.gz BENQLSPUUOIXIS-UHFFFAOYSA-N -1 3 284.406 2.644 20 30 CFEDHM C[C@H](CC#N)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000597519436 350108077 /nfs/dbraw/zinc/10/80/77/350108077.db2.gz GFVKGLLVJUDFLK-WDEREUQCSA-N -1 3 258.321 2.782 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)CC#N)[nH][n-]2)c1 ZINC000597799637 350137520 /nfs/dbraw/zinc/13/75/20/350137520.db2.gz NNDVHSMAVQVBSP-GFCCVEGCSA-N -1 3 282.347 2.604 20 30 CFEDHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H](C)C#N ZINC000598358709 350247194 /nfs/dbraw/zinc/24/71/94/350247194.db2.gz QNTAOYPTFXAZEQ-LLVKDONJSA-N -1 3 260.337 2.890 20 30 CFEDHM CCN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](C)C#N ZINC000600108567 350510285 /nfs/dbraw/zinc/51/02/85/350510285.db2.gz CPTJXFOMHKXWSE-QMMMGPOBSA-N -1 3 297.152 2.529 20 30 CFEDHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C#N ZINC000600706286 350598093 /nfs/dbraw/zinc/59/80/93/350598093.db2.gz DQFFNDRAVPPOFL-TZMCWYRMSA-N -1 3 272.348 2.552 20 30 CFEDHM Cc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)c([O-])c1 ZINC000600921310 350630710 /nfs/dbraw/zinc/63/07/10/350630710.db2.gz HYNKYDFPOWCTLG-UHFFFAOYSA-N -1 3 256.305 2.723 20 30 CFEDHM Cc1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1[O-] ZINC000610891488 351619169 /nfs/dbraw/zinc/61/91/69/351619169.db2.gz UNFYYRABXHKRCE-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM C=CCN(C(=O)c1cc(CC)ccc1[O-])[C@H](C)COC ZINC000617581747 352596688 /nfs/dbraw/zinc/59/66/88/352596688.db2.gz YNFZEFVJWTVEIL-GFCCVEGCSA-N -1 3 277.364 2.618 20 30 CFEDHM C=CCC1(NC(=O)c2cc([O-])ccc2Cl)CCOCC1 ZINC000618250843 352739361 /nfs/dbraw/zinc/73/93/61/352739361.db2.gz QZQQQBMMFMGTAP-UHFFFAOYSA-N -1 3 295.766 2.901 20 30 CFEDHM Cc1nc(C(=O)[N-]c2sccc2C#N)sc1C ZINC000618624910 352843355 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353450760 /nfs/dbraw/zinc/45/07/60/353450760.db2.gz HUQZPEAZGAHOPY-UHFFFAOYSA-N -1 3 271.238 2.554 20 30 CFEDHM C=CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622143053 353484502 /nfs/dbraw/zinc/48/45/02/353484502.db2.gz BCFGRICCHFMAQY-UHFFFAOYSA-N -1 3 259.227 2.717 20 30 CFEDHM C#CCOc1cc(F)ccc1NC([O-])=NOC1CCCC1 ZINC000271878948 191385244 /nfs/dbraw/zinc/38/52/44/191385244.db2.gz YMOGIPMQCRUQHQ-UHFFFAOYSA-N -1 3 292.310 2.833 20 30 CFEDHM C#CCOc1cc(F)ccc1NC(=O)[N-]OC1CCCC1 ZINC000271878948 191385245 /nfs/dbraw/zinc/38/52/45/191385245.db2.gz YMOGIPMQCRUQHQ-UHFFFAOYSA-N -1 3 292.310 2.833 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000294499658 199063524 /nfs/dbraw/zinc/06/35/24/199063524.db2.gz BKILMLGVSMVLAN-ZUZCIYMTSA-N -1 3 283.318 2.741 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cs1 ZINC000671749385 541071853 /nfs/dbraw/zinc/07/18/53/541071853.db2.gz QFEIFEVRJINBLI-LBPRGKRZSA-N -1 3 271.345 2.953 20 30 CFEDHM C=CCNC(=O)c1cccnc1-c1ccc(F)c([O-])c1 ZINC001243046832 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383988072 /nfs/dbraw/zinc/98/80/72/383988072.db2.gz NFLSWYSLTLXABN-UHFFFAOYSA-N -1 3 284.363 2.824 20 30 CFEDHM C=CCC1(CNC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC000573777773 383988076 /nfs/dbraw/zinc/98/80/76/383988076.db2.gz NFLSWYSLTLXABN-UHFFFAOYSA-N -1 3 284.363 2.824 20 30 CFEDHM N#C[C@@H]1CN(Cc2ncccc2[O-])C[C@H]1c1ccccc1 ZINC000573661879 383969172 /nfs/dbraw/zinc/96/91/72/383969172.db2.gz FVDXLEKDVAZOLL-CABCVRRESA-N -1 3 279.343 2.526 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(C)c(OC)c1 ZINC000641466645 384200630 /nfs/dbraw/zinc/20/06/30/384200630.db2.gz ZJCUEENMYKLGQO-UHFFFAOYSA-N -1 3 291.376 2.779 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)[nH]1 ZINC000642282656 384419895 /nfs/dbraw/zinc/41/98/95/384419895.db2.gz QLNHGUAHUDERSW-CYBMUJFWSA-N -1 3 268.320 2.528 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000279972887 384834703 /nfs/dbraw/zinc/83/47/03/384834703.db2.gz ULBOAFBKKFNVGE-ZWNOBZJWSA-N -1 3 281.739 2.965 20 30 CFEDHM CSCCON=C([O-])Nc1cc(C#N)cn1C(C)(C)C 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC000281606688 195307398 /nfs/dbraw/zinc/30/73/98/195307398.db2.gz WHEAAUGGZWFDPY-CZUORRHYSA-N -1 3 289.375 2.666 20 30 CFEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c([O-])c1O ZINC000179504618 393467641 /nfs/dbraw/zinc/46/76/41/393467641.db2.gz FGGRGTKCFPVSOH-HWPZZCPQSA-N -1 3 288.347 2.609 20 30 CFEDHM CC(C)CC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000392090646 393594023 /nfs/dbraw/zinc/59/40/23/393594023.db2.gz JKFROMJPYJAJGF-UHFFFAOYSA-N -1 3 298.433 2.724 20 30 CFEDHM C[C@H](C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000334205191 393579622 /nfs/dbraw/zinc/57/96/22/393579622.db2.gz XJVPMMBDXAHQPG-ZCFIWIBFSA-N -1 3 258.199 2.509 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)c2c([O-])cccc21 ZINC000193844593 393665310 /nfs/dbraw/zinc/66/53/10/393665310.db2.gz PSQWCBPTTHQLNT-LLVKDONJSA-N -1 3 293.326 2.813 20 30 CFEDHM C=CC(C)(C)CNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412375770 393767937 /nfs/dbraw/zinc/76/79/37/393767937.db2.gz HENVNVFUSSHCQH-UHFFFAOYSA-N -1 3 261.321 2.537 20 30 CFEDHM N#CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000345532045 393910723 /nfs/dbraw/zinc/91/07/23/393910723.db2.gz APAJFMUKIQOCGQ-UHFFFAOYSA-N -1 3 290.338 2.807 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000342998861 393877921 /nfs/dbraw/zinc/87/79/21/393877921.db2.gz XOUWZSIZAJNHCB-SNVBAGLBSA-N -1 3 257.355 2.611 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000416967487 393946879 /nfs/dbraw/zinc/94/68/79/393946879.db2.gz XBSGICFKHSDFLY-CQSZACIVSA-N -1 3 278.377 2.998 20 30 CFEDHM CC(C)(C)CC[C@](C)(NCc1cccc(C#N)n1)C(=O)[O-] ZINC000417586978 393980058 /nfs/dbraw/zinc/98/00/58/393980058.db2.gz NGVWYZDUBLJJNS-INIZCTEOSA-N -1 3 289.379 2.712 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc2ccccc2o1 ZINC000417625473 393985969 /nfs/dbraw/zinc/98/59/69/393985969.db2.gz MJCKGVINVUCHKG-LBPRGKRZSA-N -1 3 259.305 2.942 20 30 CFEDHM C#CCN(C(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000490933928 394045422 /nfs/dbraw/zinc/04/54/22/394045422.db2.gz GVPITVWAPPUJPA-UHFFFAOYSA-N -1 3 273.332 2.506 20 30 CFEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1ccncn1 ZINC000354463492 394047127 /nfs/dbraw/zinc/04/71/27/394047127.db2.gz IQFQMJXZLSWZJT-NSHDSACASA-N -1 3 257.680 2.620 20 30 CFEDHM C=CCCC1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CC1 ZINC000359369438 394130514 /nfs/dbraw/zinc/13/05/14/394130514.db2.gz JUIPORFIVNKZRC-UHFFFAOYSA-N -1 3 282.347 2.579 20 30 CFEDHM N#CCCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000360442434 394152100 /nfs/dbraw/zinc/15/21/00/394152100.db2.gz CQMURWLKXDBVCW-UHFFFAOYSA-N -1 3 295.302 2.850 20 30 CFEDHM N#CCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000360442434 394152102 /nfs/dbraw/zinc/15/21/02/394152102.db2.gz CQMURWLKXDBVCW-UHFFFAOYSA-N -1 3 295.302 2.850 20 30 CFEDHM N#CCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000360442434 394152105 /nfs/dbraw/zinc/15/21/05/394152105.db2.gz CQMURWLKXDBVCW-UHFFFAOYSA-N -1 3 295.302 2.850 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccccc1OCC ZINC000493388756 394228398 /nfs/dbraw/zinc/22/83/98/394228398.db2.gz QZQASQAZUIINDN-IIANPFDCSA-N -1 3 261.321 2.721 20 30 CFEDHM CCc1cc(C(=O)N(CC)C[C@H](C)C#N)ccc1[O-] ZINC000362551516 394188084 /nfs/dbraw/zinc/18/80/84/394188084.db2.gz IXAVNBRZTNWUFU-LLVKDONJSA-N -1 3 260.337 2.576 20 30 CFEDHM C=C[C@@H]1OCCC[C@H]1NCc1cccc([O-])c1Cl ZINC000449549394 394281122 /nfs/dbraw/zinc/28/11/22/394281122.db2.gz XPCLDSAGXPTWPG-YPMHNXCESA-N -1 3 267.756 2.869 20 30 CFEDHM COCc1ccc(NC([O-])=NOC2CCCC2)cc1C#N ZINC000529215264 394406499 /nfs/dbraw/zinc/40/64/99/394406499.db2.gz VSCHILGEOKGYJJ-UHFFFAOYSA-N -1 3 289.335 2.700 20 30 CFEDHM COCc1ccc(NC(=O)[N-]OC2CCCC2)cc1C#N ZINC000529215264 394406502 /nfs/dbraw/zinc/40/65/02/394406502.db2.gz VSCHILGEOKGYJJ-UHFFFAOYSA-N -1 3 289.335 2.700 20 30 CFEDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000536634689 394564702 /nfs/dbraw/zinc/56/47/02/394564702.db2.gz UBKSJBCHICRBPH-NSHDSACASA-N -1 3 296.367 2.554 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000537638734 394589475 /nfs/dbraw/zinc/58/94/75/394589475.db2.gz UHBYCNXHFAAOLV-ZDUSSCGKSA-N -1 3 272.348 2.693 20 30 CFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2C[C@@H]2C)no1 ZINC000546473405 394827388 /nfs/dbraw/zinc/82/73/88/394827388.db2.gz PNWBFLCYJYGALP-QPUJVOFHSA-N -1 3 298.346 2.567 20 30 CFEDHM C=C(C)CN(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000183603284 543039366 /nfs/dbraw/zinc/03/93/66/543039366.db2.gz CECQPLBHRRUEKW-UHFFFAOYSA-N -1 3 288.322 2.624 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)o1 ZINC000043768624 397565357 /nfs/dbraw/zinc/56/53/57/397565357.db2.gz KNFFWFNUPZYMSJ-UHFFFAOYSA-N -1 3 280.593 2.706 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)o1 ZINC000043768624 397565360 /nfs/dbraw/zinc/56/53/60/397565360.db2.gz KNFFWFNUPZYMSJ-UHFFFAOYSA-N -1 3 280.593 2.706 20 30 CFEDHM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1[O-] ZINC000227022647 397623911 /nfs/dbraw/zinc/62/39/11/397623911.db2.gz XSRCYCWJQGRAIF-UHFFFAOYSA-N -1 3 266.300 2.849 20 30 CFEDHM CCc1c(C)sc([N-]C(=O)c2nccc(C)n2)c1C#N ZINC000348195276 154358537 /nfs/dbraw/zinc/35/85/37/154358537.db2.gz MQBDDQZOKPAJBR-UHFFFAOYSA-N -1 3 286.360 2.841 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cscn1 ZINC000657036840 413296360 /nfs/dbraw/zinc/29/63/60/413296360.db2.gz OWFGVRXIDUGPHY-MNOVXSKESA-N -1 3 286.422 2.556 20 30 CFEDHM O=C(c1ncc[nH]1)N([O-])Cc1cccc2ccccc21 ZINC000900091730 620636493 /nfs/dbraw/zinc/63/64/93/620636493.db2.gz KKUSXROBUFINOK-UHFFFAOYSA-N -1 3 267.288 2.595 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cnc(C(F)(F)F)c(C)c1 ZINC000656637219 414619420 /nfs/dbraw/zinc/61/94/20/414619420.db2.gz FICAWCCRGOTOBG-UHFFFAOYSA-N -1 3 294.298 2.727 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CCC(F)(F)C1 ZINC000339113811 262602256 /nfs/dbraw/zinc/60/22/56/262602256.db2.gz HRQAWBFNGPLEDF-QMMMGPOBSA-N -1 3 275.324 2.697 20 30 CFEDHM N#Cc1ccccc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585438 175070876 /nfs/dbraw/zinc/07/08/76/175070876.db2.gz MSMKXPMPEBXTKT-CYBMUJFWSA-N -1 3 272.348 2.635 20 30 CFEDHM C#Cc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000044299936 175162202 /nfs/dbraw/zinc/16/22/02/175162202.db2.gz WPRXRSLHDJLFIX-UHFFFAOYSA-N -1 3 267.284 2.634 20 30 CFEDHM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]c1nncn1C1CC1 ZINC000329130806 227317907 /nfs/dbraw/zinc/31/79/07/227317907.db2.gz XHJJVSAQVOGTNF-JQWIXIFHSA-N -1 3 278.356 2.796 20 30 CFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000336223741 228217499 /nfs/dbraw/zinc/21/74/99/228217499.db2.gz SSGGKUMIVSEIMA-BZNIZROVSA-N -1 3 290.338 2.662 20 30 CFEDHM C#CCN(CC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000490711648 261190766 /nfs/dbraw/zinc/19/07/66/261190766.db2.gz AXYCJKUSLPCYBQ-UHFFFAOYSA-N -1 3 253.301 2.641 20 30 CFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000160859588 261228897 /nfs/dbraw/zinc/22/88/97/261228897.db2.gz CXJBNICJDBIPSY-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM CCCOc1ccc(/C=N/[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000164580416 261354640 /nfs/dbraw/zinc/35/46/40/261354640.db2.gz SINWNNBCQKTFNF-KBEVBYFBSA-N -1 3 275.348 2.920 20 30 CFEDHM CO[C@@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000188127670 262149807 /nfs/dbraw/zinc/14/98/07/262149807.db2.gz DOWVBQYRJNLWMB-MTDSNMTDSA-N -1 3 272.142 2.609 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000302570669 262264065 /nfs/dbraw/zinc/26/40/65/262264065.db2.gz PEEYHGYCHDIAHD-QMMMGPOBSA-N -1 3 290.747 2.831 20 30 CFEDHM C=CCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000186980860 262332858 /nfs/dbraw/zinc/33/28/58/262332858.db2.gz RJJKJWFGSGMGFX-UHFFFAOYSA-N -1 3 281.311 2.539 20 30 CFEDHM Cc1ccc([O-])c(CNc2ccccc2O[C@@H](C)C#N)n1 ZINC000272590730 263007436 /nfs/dbraw/zinc/00/74/36/263007436.db2.gz QYXCUQXRJVKMKS-LBPRGKRZSA-N -1 3 283.331 2.999 20 30 CFEDHM CC[C@@H](CC#N)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000273840302 263019781 /nfs/dbraw/zinc/01/97/81/263019781.db2.gz HOYCZKMKOIZVKC-VIFPVBQESA-N -1 3 270.254 2.726 20 30 CFEDHM N#CC1(CCC[S@](=O)c2cccc([O-])c2)CCOCC1 ZINC000281061887 263066392 /nfs/dbraw/zinc/06/63/92/263066392.db2.gz RSDQKUWELVLHQY-FQEVSTJZSA-N -1 3 293.388 2.600 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](c3ccccc3)C2)c1[O-] ZINC000281792416 263071910 /nfs/dbraw/zinc/07/19/10/263071910.db2.gz MEJDRWPIKSABOZ-DGOXLAIBSA-N -1 3 296.370 2.953 20 30 CFEDHM C=CCOc1cccnc1C(=O)[N-]c1c(C)onc1CC ZINC000342088061 263391458 /nfs/dbraw/zinc/39/14/58/263391458.db2.gz DBJGIWGAQPCSNS-UHFFFAOYSA-N -1 3 287.319 2.758 20 30 CFEDHM C/C=C/c1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000416960815 263768479 /nfs/dbraw/zinc/76/84/79/263768479.db2.gz OODKVHCPQZDQQL-MASHWEEQSA-N -1 3 264.350 2.764 20 30 CFEDHM CO[C@@H](C)[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000330569158 263976414 /nfs/dbraw/zinc/97/64/14/263976414.db2.gz HURVQCYIHIKTSK-YUMQZZPRSA-N -1 3 257.717 2.774 20 30 CFEDHM O=C(N[C@@H](CO)CC1CCCC1)c1ccccc1[O-] ZINC000331231175 264152868 /nfs/dbraw/zinc/15/28/68/264152868.db2.gz HWJPNHHKIKOCGW-GFCCVEGCSA-N -1 3 263.337 2.638 20 30 CFEDHM O=C(NC1(CCO)CCCCC1)c1ccccc1[O-] ZINC000331243939 264177824 /nfs/dbraw/zinc/17/78/24/264177824.db2.gz SHWIADFMUOROFU-UHFFFAOYSA-N -1 3 263.337 2.782 20 30 CFEDHM CC[C@H](NC(=O)c1cc(OC)ccc1[O-])C1CCOCC1 ZINC000331249283 264180438 /nfs/dbraw/zinc/18/04/38/264180438.db2.gz XMZYVGPZZGCLDX-AWEZNQCLSA-N -1 3 293.363 2.911 20 30 CFEDHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)ccc1[O-] ZINC000331263313 264184496 /nfs/dbraw/zinc/18/44/96/264184496.db2.gz FKZCXMHHZIDQNW-JSGCOSHPSA-N -1 3 263.337 2.963 20 30 CFEDHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCOC2)cc1[O-] ZINC000331358142 264208016 /nfs/dbraw/zinc/20/80/16/264208016.db2.gz UTZHABNPOCOEQO-ZWNOBZJWSA-N -1 3 291.347 2.715 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccccc1Br ZINC000417626610 264537286 /nfs/dbraw/zinc/53/72/86/264537286.db2.gz OGYUKTATSXSLMD-LLVKDONJSA-N -1 3 298.180 2.958 20 30 CFEDHM CC(C)(CCC#N)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000356467728 266119631 /nfs/dbraw/zinc/11/96/31/266119631.db2.gz CCQXBBZKRSWKGR-UHFFFAOYSA-N -1 3 297.362 2.531 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359188413 266548618 /nfs/dbraw/zinc/54/86/18/266548618.db2.gz DZSACYPUTZCQCB-SNVBAGLBSA-N -1 3 288.438 2.729 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000230341420 267030069 /nfs/dbraw/zinc/03/00/69/267030069.db2.gz BEKIFFLHPBXHPM-VWYCJHECSA-N -1 3 298.433 2.723 20 30 CFEDHM N#CC1(CNCc2cccc([O-])c2Br)CCC1 ZINC000418135362 267367515 /nfs/dbraw/zinc/36/75/15/267367515.db2.gz ANOUMCKWTITDAP-UHFFFAOYSA-N -1 3 295.180 2.938 20 30 CFEDHM Cc1cc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)ccc1[O-] ZINC000335817249 280357978 /nfs/dbraw/zinc/35/79/78/280357978.db2.gz PTLMXOGPGQUXSB-BZNIZROVSA-N -1 3 272.348 2.903 20 30 CFEDHM N#Cc1ccc(C[S@](=O)c2ccc([O-])cc2)cc1 ZINC000083079578 280548038 /nfs/dbraw/zinc/54/80/38/280548038.db2.gz DHSCLKGXXOOVCV-GOSISDBHSA-N -1 3 257.314 2.572 20 30 CFEDHM Cc1ccc(NC(=O)c2ncc(C#N)cc2C)c([O-])c1 ZINC000554971603 281907493 /nfs/dbraw/zinc/90/74/93/281907493.db2.gz WGVGCLKSWBSBGD-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM CCc1cccc(C(=O)NCCc2cccc(C#N)c2)c1[O-] ZINC000563863747 290179495 /nfs/dbraw/zinc/17/94/95/290179495.db2.gz ZBJPDJASWHRECR-UHFFFAOYSA-N -1 3 294.354 2.799 20 30 CFEDHM O=C(NC1CCC2(CC2)CC1)c1csc(=O)[n-]1 ZINC000329958464 295376705 /nfs/dbraw/zinc/37/67/05/295376705.db2.gz MPFFBMBEJSKHPO-UHFFFAOYSA-N -1 3 252.339 2.876 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2cn(C3CCC3)nn2)cc(O)c1[O-] ZINC000828140802 782077847 /nfs/dbraw/zinc/07/78/47/782077847.db2.gz UJFGHQVMBNUAMO-WAYWQWQTSA-N -1 3 299.330 2.619 20 30 CFEDHM C[C@@H](CCO)C1(C/N=C/c2ccccc2[O-])CCC1 ZINC000271851889 328198129 /nfs/dbraw/zinc/19/81/29/328198129.db2.gz WGRFKVHPADPTCV-HNEYUBDGSA-N -1 3 261.365 3.000 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000293751502 328277433 /nfs/dbraw/zinc/27/74/33/328277433.db2.gz MDZBKJMNKDCLLU-UHFFFAOYSA-N -1 3 298.264 2.953 20 30 CFEDHM COC(=O)NCc1ccc(N=Cc2ccccc2[O-])cc1 ZINC000255865766 327022133 /nfs/dbraw/zinc/02/21/33/327022133.db2.gz ISJYPXDOMBMZME-UHFFFAOYSA-N -1 3 284.315 2.999 20 30 CFEDHM C=CCCCCCN(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000558478438 327097237 /nfs/dbraw/zinc/09/72/37/327097237.db2.gz JNENRMHNLKGTBQ-UHFFFAOYSA-N -1 3 286.379 2.966 20 30 CFEDHM CCCn1nccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000569356491 327162025 /nfs/dbraw/zinc/16/20/25/327162025.db2.gz CWOZMUGWYPKXKX-LLVKDONJSA-N -1 3 293.330 2.659 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)Cc1cncc([O-])c1 ZINC000570225178 327577298 /nfs/dbraw/zinc/57/72/98/327577298.db2.gz MNRRVMVBGRVXSF-UHFFFAOYSA-N -1 3 289.379 2.508 20 30 CFEDHM C=CCCCC(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000181012999 329224821 /nfs/dbraw/zinc/22/48/21/329224821.db2.gz ATTAPGKRVXSZLE-UHFFFAOYSA-N -1 3 280.324 2.709 20 30 CFEDHM C=CCOCCSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000418813180 329570880 /nfs/dbraw/zinc/57/08/80/329570880.db2.gz YAVOPEBSAYENFE-UHFFFAOYSA-N -1 3 291.376 2.642 20 30 CFEDHM C=CCOc1ccc(CN2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263388792 330053624 /nfs/dbraw/zinc/05/36/24/330053624.db2.gz DSNTWCXAVVWTFI-CYBMUJFWSA-N -1 3 295.766 2.954 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc2c(c1)OC(F)(F)O2 ZINC000424611080 330417483 /nfs/dbraw/zinc/41/74/83/330417483.db2.gz DUBPIOOTDFLQPA-JTQLQIEISA-N -1 3 299.273 2.517 20 30 CFEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c([O-])c1 ZINC000152193322 330630434 /nfs/dbraw/zinc/63/04/34/330630434.db2.gz GMQYYODQRJINQA-LRDDRELGSA-N -1 3 272.348 2.903 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@]2(C#N)CC2(C)C)c([O-])c1 ZINC000436810286 330685575 /nfs/dbraw/zinc/68/55/75/330685575.db2.gz XCCRXWFIHHYHMK-INIZCTEOSA-N -1 3 272.348 2.938 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000451802345 331042699 /nfs/dbraw/zinc/04/26/99/331042699.db2.gz LNVCLQDSRFAKKM-UHFFFAOYSA-N -1 3 289.784 2.593 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000452047455 331052067 /nfs/dbraw/zinc/05/20/67/331052067.db2.gz YHPXQLOFLUTQOE-UHFFFAOYSA-N -1 3 279.814 2.954 20 30 CFEDHM CC(C)(C)CN(CCC#N)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459337995 331276717 /nfs/dbraw/zinc/27/67/17/331276717.db2.gz KFMVEUIJBCTNGH-UHFFFAOYSA-N -1 3 288.395 2.821 20 30 CFEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000491744909 332322798 /nfs/dbraw/zinc/32/27/98/332322798.db2.gz WQLKNJNAWWILSV-UHFFFAOYSA-N -1 3 295.338 2.676 20 30 CFEDHM C#C[C@H](C)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000491745451 332323387 /nfs/dbraw/zinc/32/33/87/332323387.db2.gz YSKZPPNSPVFGFJ-ZDUSSCGKSA-N -1 3 281.355 2.958 20 30 CFEDHM C#C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C(C)(C)C ZINC000491761867 332332130 /nfs/dbraw/zinc/33/21/30/332332130.db2.gz XQXFEUPHQRIQNL-ZDUSSCGKSA-N -1 3 279.767 2.752 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000492174377 332385824 /nfs/dbraw/zinc/38/58/24/332385824.db2.gz BAUQHICGCRCBDH-UHFFFAOYSA-N -1 3 294.401 2.665 20 30 CFEDHM CCn1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)n1 ZINC000576941735 335267090 /nfs/dbraw/zinc/26/70/90/335267090.db2.gz HTBDMKXVEQMMDO-LLVKDONJSA-N -1 3 293.330 2.578 20 30 CFEDHM C=CCOCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000350785673 335533206 /nfs/dbraw/zinc/53/32/06/335533206.db2.gz DLEKVUTXTNHBRO-UHFFFAOYSA-N -1 3 276.292 2.544 20 30 CFEDHM C=CCOc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000055723431 519056473 /nfs/dbraw/zinc/05/64/73/519056473.db2.gz IXQXKRDBSZJMRP-UHFFFAOYSA-N -1 3 294.314 2.775 20 30 CFEDHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230343726 520356637 /nfs/dbraw/zinc/35/66/37/520356637.db2.gz TXEJBJDEPJDBQR-JTQLQIEISA-N -1 3 298.433 2.867 20 30 CFEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000230338750 520767113 /nfs/dbraw/zinc/76/71/13/520767113.db2.gz ZIULPXNHFQIFQJ-UHFFFAOYSA-N -1 3 284.406 2.621 20 30 CFEDHM O=C(NCC1(C2CC2)CCC1)c1csc(=O)[n-]1 ZINC000329974825 534751273 /nfs/dbraw/zinc/75/12/73/534751273.db2.gz DFMZZGOSUZWJDA-UHFFFAOYSA-N -1 3 252.339 2.734 20 30 CFEDHM Cc1cccc(C(=O)N(C)Cc2ccc(C#N)cc2)c1[O-] ZINC000078273318 524162353 /nfs/dbraw/zinc/16/23/53/524162353.db2.gz KPPJBMFXQFSJNC-UHFFFAOYSA-N -1 3 280.327 2.845 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000340319683 524759264 /nfs/dbraw/zinc/75/92/64/524759264.db2.gz YSWRFFOOVHLBBQ-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C[C@@H](C)C1 ZINC000300706897 524926910 /nfs/dbraw/zinc/92/69/10/524926910.db2.gz DEFLPBBSLNSAPO-URLYPYJESA-N -1 3 298.433 2.723 20 30 CFEDHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230338381 526255155 /nfs/dbraw/zinc/25/51/55/526255155.db2.gz ZDMDJVRDNWGZEI-WDEREUQCSA-N -1 3 298.433 2.724 20 30 CFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000156066542 526563179 /nfs/dbraw/zinc/56/31/79/526563179.db2.gz OMLSXXOAGLTXQA-UHFFFAOYSA-N -1 3 296.367 2.698 20 30 CFEDHM N#Cc1cccc(CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000050926153 526703579 /nfs/dbraw/zinc/70/35/79/526703579.db2.gz WVWYZBBCLIPFCL-UHFFFAOYSA-N -1 3 272.348 2.635 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313237677 527169720 /nfs/dbraw/zinc/16/97/20/527169720.db2.gz NENXHASDOAIXSA-UHFFFAOYSA-N -1 3 271.357 2.769 20 30 CFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000355091878 528207706 /nfs/dbraw/zinc/20/77/06/528207706.db2.gz AIPPJRBMBGJFOQ-CQSZACIVSA-N -1 3 294.310 2.748 20 30 CFEDHM CCCOc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354481182 528736551 /nfs/dbraw/zinc/73/65/51/528736551.db2.gz XZNYWRILGCJXEQ-CQSZACIVSA-N -1 3 281.315 2.755 20 30 CFEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000736631030 574062421 /nfs/dbraw/zinc/06/24/21/574062421.db2.gz CPYFKKKBYXBWFT-LBPRGKRZSA-N -1 3 287.429 2.685 20 30 CFEDHM O=c1[n-]ncc(N=NCC2CCCCC2)c1Cl ZINC000730568235 574088256 /nfs/dbraw/zinc/08/82/56/574088256.db2.gz RGLRHTSOWLCOGT-UHFFFAOYSA-N -1 3 254.721 2.814 20 30 CFEDHM C#C[C@H](CC)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000754371907 574091325 /nfs/dbraw/zinc/09/13/25/574091325.db2.gz UGZRPBOXEHNGKP-MRVPVSSYSA-N -1 3 293.779 2.933 20 30 CFEDHM CC(=NN=C(C)c1cc(F)ccc1[O-])c1cnccn1 ZINC000745201610 574106209 /nfs/dbraw/zinc/10/62/09/574106209.db2.gz IWLMYMJESDTKDR-UHFFFAOYSA-N -1 3 272.283 2.555 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ncc[nH]1 ZINC000731156569 574111184 /nfs/dbraw/zinc/11/11/84/574111184.db2.gz HIHTWSRTNYGOJP-VQKCLUMFSA-N -1 3 258.252 2.638 20 30 CFEDHM CCOc1ccc(/C=N\Cc2cccc(N(C)C)n2)c([O-])c1 ZINC000754687757 574114196 /nfs/dbraw/zinc/11/41/96/574114196.db2.gz XPELOCOTBHNKFI-WQRHYEAKSA-N -1 3 299.374 2.871 20 30 CFEDHM N#Cc1cc(COC(=O)c2cc(Cl)c(Cl)[n-]2)ccn1 ZINC000754719487 574115892 /nfs/dbraw/zinc/11/58/92/574115892.db2.gz NLGQNMIZOYVSDV-UHFFFAOYSA-N -1 3 296.113 2.945 20 30 CFEDHM COC(=O)[C@H](C/N=C\c1c([O-])cccc1OC)CC(C)C ZINC000741465790 574120577 /nfs/dbraw/zinc/12/05/77/574120577.db2.gz YKVQZKFISPUFDL-NJPLLEPOSA-N -1 3 293.363 2.655 20 30 CFEDHM COC(=O)[C@H](C/N=C/c1c([O-])cccc1OC)CC(C)C ZINC000741465791 574120810 /nfs/dbraw/zinc/12/08/10/574120810.db2.gz YKVQZKFISPUFDL-VAKHEIKFSA-N -1 3 293.363 2.655 20 30 CFEDHM C=CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)C ZINC000728868749 574132013 /nfs/dbraw/zinc/13/20/13/574132013.db2.gz OGENWURJYUKTQA-UHFFFAOYSA-N -1 3 270.332 2.565 20 30 CFEDHM COc1ccc(CCNN=Cc2ccccc2[O-])cc1 ZINC000737439810 574140898 /nfs/dbraw/zinc/14/08/98/574140898.db2.gz IYTYVMIYZDOXJS-UHFFFAOYSA-N -1 3 270.332 2.567 20 30 CFEDHM N#Cc1cnc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737728725 574152506 /nfs/dbraw/zinc/15/25/06/574152506.db2.gz UOBYQSVXMZJREH-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737728725 574152507 /nfs/dbraw/zinc/15/25/07/574152507.db2.gz UOBYQSVXMZJREH-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM COc1cccc([O-])c1/C=N\CCOC(C)(C)C ZINC000746681023 574162858 /nfs/dbraw/zinc/16/28/58/574162858.db2.gz DGEBDIQHQKLYQP-GDNBJRDFSA-N -1 3 251.326 2.635 20 30 CFEDHM Cc1ccccc1[C@H](O)C/N=C\c1ccccc1[O-] ZINC000732714101 574167392 /nfs/dbraw/zinc/16/73/92/574167392.db2.gz QWXGYUMIFSOVQC-FNTDYBJHSA-N -1 3 255.317 2.853 20 30 CFEDHM [O-]c1ccc(C=Nn2cnnc2-c2ccccc2)cc1F ZINC000755618280 574172233 /nfs/dbraw/zinc/17/22/33/574172233.db2.gz ZFSXONHOTYZZBG-UHFFFAOYSA-N -1 3 282.278 2.672 20 30 CFEDHM [O-]c1ccc(CN=Nc2ncccc2C(F)(F)F)nc1 ZINC000755643674 574174435 /nfs/dbraw/zinc/17/44/35/574174435.db2.gz XBHFODVXNWUSIT-UHFFFAOYSA-N -1 3 282.225 2.647 20 30 CFEDHM CC[C@@H]1CCC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000740763172 574176960 /nfs/dbraw/zinc/17/69/60/574176960.db2.gz AREWCDFBTADJCG-YPUXSBLJSA-N -1 3 276.380 2.976 20 30 CFEDHM Cc1ncc(C=CC([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899653 574177145 /nfs/dbraw/zinc/17/71/45/574177145.db2.gz AAYIJDPHQXKCPJ-DSYXLKISSA-N -1 3 298.371 2.748 20 30 CFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(O)cc1[O-] ZINC000747061093 574177677 /nfs/dbraw/zinc/17/76/77/574177677.db2.gz AOASSIHHUYQEPY-UHFFFAOYSA-N -1 3 287.275 2.760 20 30 CFEDHM COc1ccc(CNC(=O)c2cccc(C)c2[O-])cc1C#N ZINC000747079432 574178431 /nfs/dbraw/zinc/17/84/31/574178431.db2.gz KZXRNAAVKJFODM-UHFFFAOYSA-N -1 3 296.326 2.511 20 30 CFEDHM [O-]c1ccccc1C=NNCCCc1ccccc1 ZINC000729146423 574179193 /nfs/dbraw/zinc/17/91/93/574179193.db2.gz WKUQUBHUXJTLLO-UHFFFAOYSA-N -1 3 254.333 2.949 20 30 CFEDHM COc1cccc([O-])c1C=NNCCCc1ccccc1 ZINC000729146314 574179360 /nfs/dbraw/zinc/17/93/60/574179360.db2.gz RZEINVXKYKSQJQ-UHFFFAOYSA-N -1 3 284.359 2.957 20 30 CFEDHM CCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccn1 ZINC000729150349 574179847 /nfs/dbraw/zinc/17/98/47/574179847.db2.gz USRQJLAYWPLQIY-IXJMWADBSA-N -1 3 299.374 2.943 20 30 CFEDHM Cc1cc(NN=Cc2c([O-])cccc2Cl)ncn1 ZINC000755728922 574182157 /nfs/dbraw/zinc/18/21/57/574182157.db2.gz XXPHCHDHEVIONP-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM O=c1[nH]c(NN=Cc2ccc([O-])c(F)c2)nc2ccccc12 ZINC000755767626 574185808 /nfs/dbraw/zinc/18/58/08/574185808.db2.gz ZBGHLBKOYNUDMD-UHFFFAOYSA-N -1 3 298.277 2.626 20 30 CFEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000739134186 574199566 /nfs/dbraw/zinc/19/95/66/574199566.db2.gz XXWFJTZMSXBIAQ-OAHLLOKOSA-N -1 3 284.290 2.613 20 30 CFEDHM CSCCCCCOC(=O)c1ccc(C#N)[n-]1 ZINC000756137599 574212867 /nfs/dbraw/zinc/21/28/67/574212867.db2.gz URWFVCRQQRYXQI-UHFFFAOYSA-N -1 3 252.339 2.576 20 30 CFEDHM COc1cccc([O-])c1C=Nc1ccc2c(c1)CC(=O)N2 ZINC000733750205 574255046 /nfs/dbraw/zinc/25/50/46/574255046.db2.gz PUCQBNQQQOCPLU-UHFFFAOYSA-N -1 3 282.299 2.646 20 30 CFEDHM COC(=O)C1CCC(/N=C/c2c([O-])cccc2OC)CC1 ZINC000730146587 574256115 /nfs/dbraw/zinc/25/61/15/574256115.db2.gz BPGDHRFSZCMVIH-LICLKQGHSA-N -1 3 291.347 2.552 20 30 CFEDHM CCOc1ccc(/C=N\Cc2cc(C)ncn2)c([O-])c1 ZINC000756841504 574267418 /nfs/dbraw/zinc/26/74/18/574267418.db2.gz ZFEAOQPKJVFRCM-PXNMLYILSA-N -1 3 271.320 2.508 20 30 CFEDHM COc1cccc([O-])c1/C=N\C1CCSCC1 ZINC000749748770 574306847 /nfs/dbraw/zinc/30/68/47/574306847.db2.gz NDGQMVDXPVAOQI-ZROIWOOFSA-N -1 3 251.351 2.715 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@](C)(O)c1cccs1 ZINC000739427168 574310161 /nfs/dbraw/zinc/31/01/61/574310161.db2.gz QSVSKNNUSDWYAX-HVVQPJKBSA-N -1 3 291.372 2.789 20 30 CFEDHM CS[C@@H]1CCC[C@@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000735229063 574316104 /nfs/dbraw/zinc/31/61/04/574316104.db2.gz PZKUQSLEPVKHLF-UFCGYKGRSA-N -1 3 281.377 2.897 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206621 574316414 /nfs/dbraw/zinc/31/64/14/574316414.db2.gz MGUDXPMEMUJDTC-GEXIGZQTSA-N -1 3 286.331 2.699 20 30 CFEDHM C=CCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735409687 574323668 /nfs/dbraw/zinc/32/36/68/574323668.db2.gz IRPLLBPXBIHKJL-LBPRGKRZSA-N -1 3 299.378 2.742 20 30 CFEDHM C=CCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735409687 574323671 /nfs/dbraw/zinc/32/36/71/574323671.db2.gz IRPLLBPXBIHKJL-LBPRGKRZSA-N -1 3 299.378 2.742 20 30 CFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000735451169 574326358 /nfs/dbraw/zinc/32/63/58/574326358.db2.gz RADUZBRFLQUZST-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000735451169 574326359 /nfs/dbraw/zinc/32/63/59/574326359.db2.gz RADUZBRFLQUZST-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM COc1cc(C=Nn2cnc3ccccc32)cc(OC)c1[O-] ZINC000725849410 574330198 /nfs/dbraw/zinc/33/01/98/574330198.db2.gz GXXAFONEHBQAOC-UHFFFAOYSA-N -1 3 297.314 2.641 20 30 CFEDHM COc1cc(C)nc(N=NCc2c([O-])cccc2Cl)n1 ZINC000755752449 574331579 /nfs/dbraw/zinc/33/15/79/574331579.db2.gz GGDWEBPDAYLRQJ-UHFFFAOYSA-N -1 3 292.726 2.599 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739054350 574333302 /nfs/dbraw/zinc/33/33/02/574333302.db2.gz QLLGCKYCUSSKOO-JSGCOSHPSA-N -1 3 287.363 2.551 20 30 CFEDHM CCc1ccc(CC/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000735978697 574346160 /nfs/dbraw/zinc/34/61/60/574346160.db2.gz JLVAHQUOKSMBJR-ODLFYWEKSA-N -1 3 298.386 2.812 20 30 CFEDHM CC(Cc1cccs1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736067715 574349847 /nfs/dbraw/zinc/34/98/47/574349847.db2.gz YYJOZPHSGNQMNS-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM CC(Cc1cccs1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736067715 574349848 /nfs/dbraw/zinc/34/98/48/574349848.db2.gz YYJOZPHSGNQMNS-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cncc([O-])c1 ZINC000750888780 574358700 /nfs/dbraw/zinc/35/87/00/574358700.db2.gz TZHLFOQOWKVFLX-UHFFFAOYSA-N -1 3 287.702 2.649 20 30 CFEDHM C[C@@H]1CCCC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743448606 574364775 /nfs/dbraw/zinc/36/47/75/574364775.db2.gz XFMJMTTUEOJQBZ-CYBMUJFWSA-N -1 3 294.420 2.715 20 30 CFEDHM C=CCCC(CC)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448389 574364885 /nfs/dbraw/zinc/36/48/85/574364885.db2.gz MVZHGJRWOBFZNP-UHFFFAOYSA-N -1 3 294.420 2.881 20 30 CFEDHM C[C@@H](OC(=O)c1ccc(C#N)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000752484777 574391808 /nfs/dbraw/zinc/39/18/08/574391808.db2.gz WXKXGERPXXHGEX-SECBINFHSA-N -1 3 285.259 2.713 20 30 CFEDHM CCCCCC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821043682 607254488 /nfs/dbraw/zinc/25/44/88/607254488.db2.gz SJBWSXZEKJQCHN-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM CCCCCC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821043682 607254489 /nfs/dbraw/zinc/25/44/89/607254489.db2.gz SJBWSXZEKJQCHN-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM CC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820676051 607254782 /nfs/dbraw/zinc/25/47/82/607254782.db2.gz LMKCTZUZECSBRF-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM CC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820676051 607254783 /nfs/dbraw/zinc/25/47/83/607254783.db2.gz LMKCTZUZECSBRF-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM C=C(CC)CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000823883684 608291044 /nfs/dbraw/zinc/29/10/44/608291044.db2.gz XMHDFMOWTWRQJY-UHFFFAOYSA-N -1 3 275.381 2.937 20 30 CFEDHM C=C(CC)CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000823883684 608291046 /nfs/dbraw/zinc/29/10/46/608291046.db2.gz XMHDFMOWTWRQJY-UHFFFAOYSA-N -1 3 275.381 2.937 20 30 CFEDHM O=C([O-])C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000819375616 597082735 /nfs/dbraw/zinc/08/27/35/597082735.db2.gz RUXUOEKAQCUBBF-CQSZACIVSA-N -1 3 291.778 2.878 20 30 CFEDHM C=C(C)CSCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819722489 607368739 /nfs/dbraw/zinc/36/87/39/607368739.db2.gz KBERLBHTGUDZAV-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C=C(C)CSCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819722489 607368741 /nfs/dbraw/zinc/36/87/41/607368741.db2.gz KBERLBHTGUDZAV-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM CN(Cc1cccc(O)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830851540 601169487 /nfs/dbraw/zinc/16/94/87/601169487.db2.gz CJCNDWGRAYBZLU-MRXNPFEDSA-N -1 3 296.326 2.522 20 30 CFEDHM CN(Cc1cccc(O)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830851539 601169735 /nfs/dbraw/zinc/16/97/35/601169735.db2.gz CJCNDWGRAYBZLU-INIZCTEOSA-N -1 3 296.326 2.522 20 30 CFEDHM C=CCN(Cc1cc(C(=O)[O-])oc1CC)C(C)C ZINC000825682155 601413040 /nfs/dbraw/zinc/41/30/40/601413040.db2.gz QADQBYVCEZKRRA-UHFFFAOYSA-N -1 3 251.326 2.937 20 30 CFEDHM C[C@@H](CN(C)CC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000827443031 601419275 /nfs/dbraw/zinc/41/92/75/601419275.db2.gz VWIQKHKWUQYTNM-NSHDSACASA-N -1 3 299.292 2.709 20 30 CFEDHM C[C@H](CN(CC#Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450109 601446879 /nfs/dbraw/zinc/44/68/79/601446879.db2.gz RUFZRLJQSVFKFF-GFCCVEGCSA-N -1 3 291.778 2.877 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251780792 601919422 /nfs/dbraw/zinc/91/94/22/601919422.db2.gz SQFYXHJWFPZAFZ-BXUZGUMPSA-N -1 3 290.388 2.511 20 30 CFEDHM CN(Cc1ccccc1C#N)C1CCC(NC(=O)[O-])CC1 ZINC000828386999 603783950 /nfs/dbraw/zinc/78/39/50/603783950.db2.gz FBIWLGOFDAGHHP-UHFFFAOYSA-N -1 3 287.363 2.569 20 30 CFEDHM N#CCC[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000833967886 605645588 /nfs/dbraw/zinc/64/55/88/605645588.db2.gz HVSUMNUIQZHJAZ-LSDHHAIUSA-N -1 3 287.363 2.763 20 30 CFEDHM N#CCC[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000833967883 605645639 /nfs/dbraw/zinc/64/56/39/605645639.db2.gz HVSUMNUIQZHJAZ-GJZGRUSLSA-N -1 3 287.363 2.763 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC000822928517 606391362 /nfs/dbraw/zinc/39/13/62/606391362.db2.gz IVPKIAHILFRIAD-IWQZZHSRSA-N -1 3 288.357 2.886 20 30 CFEDHM CCc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821476111 606461699 /nfs/dbraw/zinc/46/16/99/606461699.db2.gz IDJOWKPQIUGBFP-UHFFFAOYSA-N -1 3 296.334 2.858 20 30 CFEDHM CC1(C)CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820589827 606622853 /nfs/dbraw/zinc/62/28/53/606622853.db2.gz NKKZWIFLEYSSOU-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC1(C)CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820589827 606622854 /nfs/dbraw/zinc/62/28/54/606622854.db2.gz NKKZWIFLEYSSOU-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM C[C@H](C#N)Sc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819854264 606628302 /nfs/dbraw/zinc/62/83/02/606628302.db2.gz BMWCCRPBEICYRV-ZCFIWIBFSA-N -1 3 265.729 2.524 20 30 CFEDHM C[C@H](C#N)Sc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819854264 606628304 /nfs/dbraw/zinc/62/83/04/606628304.db2.gz BMWCCRPBEICYRV-ZCFIWIBFSA-N -1 3 265.729 2.524 20 30 CFEDHM C=CCC(CC=C)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000819733812 606935506 /nfs/dbraw/zinc/93/55/06/606935506.db2.gz BQHBZVPVEMBCQM-UHFFFAOYSA-N -1 3 297.362 2.598 20 30 CFEDHM C=CCC(CC=C)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000819733812 606935508 /nfs/dbraw/zinc/93/55/08/606935508.db2.gz BQHBZVPVEMBCQM-UHFFFAOYSA-N -1 3 297.362 2.598 20 30 CFEDHM C=C(CC)CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823878088 608288939 /nfs/dbraw/zinc/28/89/39/608288939.db2.gz OERJEHJUOWAEFK-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM C=C(CC)CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823878088 608288941 /nfs/dbraw/zinc/28/89/41/608288941.db2.gz OERJEHJUOWAEFK-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM C#CCCCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823841374 608330337 /nfs/dbraw/zinc/33/03/37/608330337.db2.gz LXXIYQSUHXBQAJ-LBPRGKRZSA-N -1 3 298.346 2.665 20 30 CFEDHM C#CCCCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823841374 608330339 /nfs/dbraw/zinc/33/03/39/608330339.db2.gz LXXIYQSUHXBQAJ-LBPRGKRZSA-N -1 3 298.346 2.665 20 30 CFEDHM CC(=NNc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962230 609157971 /nfs/dbraw/zinc/15/79/71/609157971.db2.gz HVOBAKNWEGAFES-UHFFFAOYSA-N -1 3 296.309 2.842 20 30 CFEDHM CC(=NNc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962230 609157973 /nfs/dbraw/zinc/15/79/73/609157973.db2.gz HVOBAKNWEGAFES-UHFFFAOYSA-N -1 3 296.309 2.842 20 30 CFEDHM C=C(C)CN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823878138 609318157 /nfs/dbraw/zinc/31/81/57/609318157.db2.gz QIUGRGGJEVKBIL-UHFFFAOYSA-N -1 3 297.284 2.898 20 30 CFEDHM C=C(C)CN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823878138 609318159 /nfs/dbraw/zinc/31/81/59/609318159.db2.gz QIUGRGGJEVKBIL-UHFFFAOYSA-N -1 3 297.284 2.898 20 30 CFEDHM CC(C)CN(CCC#N)Cc1ccc([O-])c(F)c1 ZINC000891465071 617621925 /nfs/dbraw/zinc/62/19/25/617621925.db2.gz PKGKNPZIYFWYPT-UHFFFAOYSA-N -1 3 250.317 2.903 20 30 CFEDHM COc1c(F)cc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000255390393 617723651 /nfs/dbraw/zinc/72/36/51/617723651.db2.gz GFRNOGGKMAVNKN-UHFFFAOYSA-N -1 3 295.241 2.841 20 30 CFEDHM CC(=NNCCC(=O)OC(C)(C)C)c1ccc(F)c([O-])c1 ZINC000901216242 620766181 /nfs/dbraw/zinc/76/61/81/620766181.db2.gz CLWAOXPODYHCIN-UHFFFAOYSA-N -1 3 296.342 2.577 20 30 CFEDHM COc1cc(/C=C\C(=O)c2cnccn2)cc(Cl)c1[O-] ZINC000255492635 617997640 /nfs/dbraw/zinc/99/76/40/617997640.db2.gz PBRDVTAUPLLAND-IHWYPQMZSA-N -1 3 290.706 2.740 20 30 CFEDHM CC(C)(C)[C@H]1CCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000807965908 618001943 /nfs/dbraw/zinc/00/19/43/618001943.db2.gz BXFCQZWEUNOAFM-ZDUSSCGKSA-N -1 3 294.420 2.918 20 30 CFEDHM CC[C@H](N[C@H]1CCn2ccnc21)c1cccc(C#N)c1[O-] ZINC000926501156 618160278 /nfs/dbraw/zinc/16/02/78/618160278.db2.gz CHCTXGGUZIHYCJ-KBPBESRZSA-N -1 3 282.347 2.646 20 30 CFEDHM C#Cc1cccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000158294210 618189717 /nfs/dbraw/zinc/18/97/17/618189717.db2.gz FKNGPOPWVKGSHM-UHFFFAOYSA-N -1 3 298.298 2.902 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2cc(F)c(F)c(F)c2)c1O ZINC000255674124 618200120 /nfs/dbraw/zinc/20/01/20/618200120.db2.gz LTVKPCQTMIDRBP-UHFFFAOYSA-N -1 3 283.205 2.971 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cncs2)c(OC)cc1[O-] ZINC000255597303 618213776 /nfs/dbraw/zinc/21/37/76/618213776.db2.gz RFAIIZJKWXKWCY-ARJAWSKDSA-N -1 3 291.328 2.762 20 30 CFEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OC2CCCC2)cc1 ZINC000901331054 620786627 /nfs/dbraw/zinc/78/66/27/620786627.db2.gz VXKPVKVGDQEHSW-ZHACJKMWSA-N -1 3 273.332 2.724 20 30 CFEDHM Cc1nccc(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000901369991 620796925 /nfs/dbraw/zinc/79/69/25/620796925.db2.gz NNUFBICTFAQARQ-UHFFFAOYSA-N -1 3 293.326 2.970 20 30 CFEDHM C[C@@H]1CC[C@H](CCC(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372191 620797282 /nfs/dbraw/zinc/79/72/82/620797282.db2.gz UIBIVWMLXOCOLG-BXUZGUMPSA-N -1 3 281.327 2.891 20 30 CFEDHM O=C(C[C@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC000901371869 620797489 /nfs/dbraw/zinc/79/74/89/620797489.db2.gz XHPZJZTVDUGZIU-CYBMUJFWSA-N -1 3 285.343 2.984 20 30 CFEDHM O=C(c1cccnn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901377966 620799117 /nfs/dbraw/zinc/79/91/17/620799117.db2.gz FNVYNUZYPGSTAP-UHFFFAOYSA-N -1 3 298.129 2.815 20 30 CFEDHM COc1cccc(CC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901378981 620799335 /nfs/dbraw/zinc/79/93/35/620799335.db2.gz NZXDVHXBXYWENY-UHFFFAOYSA-N -1 3 289.306 2.795 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1cc(F)ccc1F ZINC000856030735 618422572 /nfs/dbraw/zinc/42/25/72/618422572.db2.gz OXINLZQHHGRQSW-UHFFFAOYSA-N -1 3 255.264 2.521 20 30 CFEDHM CO[C@H](C)CC/N=C/c1cc(Br)ccc1[O-] ZINC000726429876 618474362 /nfs/dbraw/zinc/47/43/62/618474362.db2.gz SZCLCSNWKWXIJZ-MBBDXHFBSA-N -1 3 286.169 2.999 20 30 CFEDHM COC(=O)N1CCC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000726429732 618474658 /nfs/dbraw/zinc/47/46/58/618474658.db2.gz QNHURFGFWYCVCZ-WIJRQFRKSA-N -1 3 296.754 2.695 20 30 CFEDHM CCN(C)c1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000748073975 619331436 /nfs/dbraw/zinc/33/14/36/619331436.db2.gz BDLBWWFEJUPRMK-UHFFFAOYSA-N -1 3 299.378 2.783 20 30 CFEDHM C#C[C@H](C)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894574072 619421834 /nfs/dbraw/zinc/42/18/34/619421834.db2.gz MMVCOOYMPPVKCN-QMMMGPOBSA-N -1 3 286.144 2.747 20 30 CFEDHM C=C1CCC(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC1 ZINC000895614163 619568011 /nfs/dbraw/zinc/56/80/11/619568011.db2.gz KBTCQDZXKYTGCP-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H](C)CC2)c1[O-] ZINC000840704519 619824329 /nfs/dbraw/zinc/82/43/29/619824329.db2.gz BGGVGOUKJPPURD-SBFITTDKSA-N -1 3 276.380 2.976 20 30 CFEDHM C=CCC(C)(C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000840707186 619860875 /nfs/dbraw/zinc/86/08/75/619860875.db2.gz SXMLHNJEWWLQLX-LZYBPNLTSA-N -1 3 262.353 2.609 20 30 CFEDHM C[C@@H](Cc1cnn(C)c1)/N=C/c1cc(Cl)ccc1[O-] ZINC000840710507 619912470 /nfs/dbraw/zinc/91/24/70/619912470.db2.gz SOKSXHNWFGPUJO-MDKXCRPYSA-N -1 3 277.755 2.829 20 30 CFEDHM C#CCO[N-]C(=O)CCCc1ccc(C2CC2)cc1 ZINC000897811392 620282769 /nfs/dbraw/zinc/28/27/69/620282769.db2.gz AVOOUMIKWWNMTG-UHFFFAOYSA-N -1 3 257.333 2.568 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096035 620337939 /nfs/dbraw/zinc/33/79/39/620337939.db2.gz MDXFEWWAASJHMC-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096035 620337941 /nfs/dbraw/zinc/33/79/41/620337941.db2.gz MDXFEWWAASJHMC-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=CC(C)(C)NCc1ncc(Br)cc1[O-] ZINC000898461399 620467317 /nfs/dbraw/zinc/46/73/17/620467317.db2.gz BQTFKZLCFSOCAI-UHFFFAOYSA-N -1 3 271.158 2.604 20 30 CFEDHM C#CCCCCCC(=O)[N-]OCc1cccc(C)n1 ZINC000898932474 620507398 /nfs/dbraw/zinc/50/73/98/620507398.db2.gz NDFHBXNSXVCSHH-UHFFFAOYSA-N -1 3 260.337 2.522 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CC1CC2(C1)OCCO2 ZINC000899227911 620533060 /nfs/dbraw/zinc/53/30/60/620533060.db2.gz UUINSUXPUVUNDJ-SXGWCWSVSA-N -1 3 281.739 2.618 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000899232928 620534489 /nfs/dbraw/zinc/53/44/89/620534489.db2.gz XSMQMJCQPMIXTD-SXUYUPPPSA-N -1 3 298.333 2.832 20 30 CFEDHM COc1cc(C(=O)/C=C\c2c3c(nn2C)CCC3)ccc1[O-] ZINC000899340914 620546789 /nfs/dbraw/zinc/54/67/89/620546789.db2.gz OUBSZQTXJISMKQ-CLFYSBASSA-N -1 3 298.342 2.519 20 30 CFEDHM C=CCC[C@H](NCc1c(Cl)cncc1Cl)C(=O)[O-] ZINC000901690897 620895731 /nfs/dbraw/zinc/89/57/31/620895731.db2.gz VGHBFJSPOGSRRX-NSHDSACASA-N -1 3 289.162 2.897 20 30 CFEDHM C[C@H](NCC1(C#N)CCCC1)c1cccc(C#N)c1[O-] ZINC000903109286 621256626 /nfs/dbraw/zinc/25/66/26/621256626.db2.gz MISOTOVBGVYWNC-LBPRGKRZSA-N -1 3 269.348 2.998 20 30 CFEDHM C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1C(=O)[O-] ZINC000903407718 621363162 /nfs/dbraw/zinc/36/31/62/621363162.db2.gz KIKUYZMGLXEYCR-QMTHXVAHSA-N -1 3 292.766 2.897 20 30 CFEDHM N#CCC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903683091 621417932 /nfs/dbraw/zinc/41/79/32/621417932.db2.gz HMBMLYDKLNKXJL-UHFFFAOYSA-N -1 3 264.350 2.572 20 30 CFEDHM Cc1ncsc1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177492 621543097 /nfs/dbraw/zinc/54/30/97/621543097.db2.gz FHWICDNCDFTCPX-UHFFFAOYSA-N -1 3 294.351 2.941 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H](C)n1cccn1 ZINC000904206862 621544220 /nfs/dbraw/zinc/54/42/20/621544220.db2.gz LNOCOIIHHBMMFM-GFCCVEGCSA-N -1 3 253.346 2.632 20 30 CFEDHM CCCCN([O-])C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000904207928 621544607 /nfs/dbraw/zinc/54/46/07/621544607.db2.gz IIATTXNYFIKMCK-ZDUSSCGKSA-N -1 3 290.363 2.596 20 30 CFEDHM CCCCN([O-])C(=O)CCc1ccc(N(C)C)cc1 ZINC000904207884 621544609 /nfs/dbraw/zinc/54/46/09/621544609.db2.gz GWZBPROIHIXACQ-UHFFFAOYSA-N -1 3 264.369 2.703 20 30 CFEDHM CCCCN([O-])C(=O)c1ccc(Br)o1 ZINC000904207796 621544643 /nfs/dbraw/zinc/54/46/43/621544643.db2.gz CBHCHICIKJCAKN-UHFFFAOYSA-N -1 3 262.103 2.674 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC000904208902 621544958 /nfs/dbraw/zinc/54/49/58/621544958.db2.gz MANSFZDUHQZNEI-GFCCVEGCSA-N -1 3 279.336 2.674 20 30 CFEDHM C[C@H]1COCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904191489 621546323 /nfs/dbraw/zinc/54/63/23/621546323.db2.gz ZYELPHIENZSJTR-JQWIXIFHSA-N -1 3 283.755 2.730 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904193096 621546843 /nfs/dbraw/zinc/54/68/43/621546843.db2.gz KZXIFYKIIJJRJG-YPMHNXCESA-N -1 3 281.739 2.649 20 30 CFEDHM COC[C@@H](C)[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193085 621546874 /nfs/dbraw/zinc/54/68/74/621546874.db2.gz KROACDKBXIYHFY-MNOVXSKESA-N -1 3 285.771 2.976 20 30 CFEDHM C[C@H]1COCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197510 621548390 /nfs/dbraw/zinc/54/83/90/621548390.db2.gz FVPPLSACTJGMKU-GOEBONIOSA-N -1 3 291.391 2.900 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000904205044 621550551 /nfs/dbraw/zinc/55/05/51/621550551.db2.gz YPBZLRWKPPPSGK-NWDGAFQWSA-N -1 3 255.358 2.790 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCO[C@@H](CC)C1 ZINC000904204387 621550626 /nfs/dbraw/zinc/55/06/26/621550626.db2.gz KNMGBVOLMDNUFV-STQMWFEESA-N -1 3 257.374 2.990 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000904204922 621550714 /nfs/dbraw/zinc/55/07/14/621550714.db2.gz VUBBSWHUONLYFB-NSHDSACASA-N -1 3 265.357 2.628 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccn(C(F)F)n1 ZINC000904204228 621550760 /nfs/dbraw/zinc/55/07/60/621550760.db2.gz HTEUXEZNRDSWPN-UHFFFAOYSA-N -1 3 261.272 2.690 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1cccnc1 ZINC000904205323 621551070 /nfs/dbraw/zinc/55/10/70/621551070.db2.gz HYYURQUIMWQBBM-UHFFFAOYSA-N -1 3 250.342 2.812 20 30 CFEDHM CCCCN([O-])C(=O)c1cc2cccnc2s1 ZINC000904215091 621551081 /nfs/dbraw/zinc/55/10/81/621551081.db2.gz ZVUXPNJJRFAKQG-UHFFFAOYSA-N -1 3 250.323 2.928 20 30 CFEDHM CCCCCCN([O-])C(=O)CCn1nc(C)cc1C ZINC000904205512 621551180 /nfs/dbraw/zinc/55/11/80/621551180.db2.gz KUFYHUDLBJAMAU-UHFFFAOYSA-N -1 3 267.373 2.688 20 30 CFEDHM CCCCN([O-])C(=O)COCc1ccccc1C ZINC000904215660 621551790 /nfs/dbraw/zinc/55/17/90/621551790.db2.gz IUYAHCDOQGQJPB-UHFFFAOYSA-N -1 3 251.326 2.530 20 30 CFEDHM CCCCN([O-])C(=O)c1nc(Br)cs1 ZINC000904211905 621553963 /nfs/dbraw/zinc/55/39/63/621553963.db2.gz GISMHBTVOFZNFV-UHFFFAOYSA-N -1 3 279.159 2.537 20 30 CFEDHM CCCCN([O-])C(=O)c1scnc1Br ZINC000904212096 621554024 /nfs/dbraw/zinc/55/40/24/621554024.db2.gz JABFGBJUTWCPNW-UHFFFAOYSA-N -1 3 279.159 2.537 20 30 CFEDHM CCCCN([O-])C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000904212514 621554059 /nfs/dbraw/zinc/55/40/59/621554059.db2.gz GFXIQKFZDLVAAD-UHFFFAOYSA-N -1 3 276.311 2.747 20 30 CFEDHM CCCCN([O-])C(=O)C1CCC(C(C)(C)O)CC1 ZINC000904214674 621554808 /nfs/dbraw/zinc/55/48/08/621554808.db2.gz IXRQTGZVSYLFQU-UHFFFAOYSA-N -1 3 257.374 2.582 20 30 CFEDHM CCCCN([O-])C(=O)CCc1cccnc1Cl ZINC000904214503 621554951 /nfs/dbraw/zinc/55/49/51/621554951.db2.gz BEHQIOFHAUAXFP-UHFFFAOYSA-N -1 3 256.733 2.686 20 30 CFEDHM CCCCN([O-])C(=O)CCCCC(=O)OC(C)(C)C ZINC000904214958 621555186 /nfs/dbraw/zinc/55/51/86/621555186.db2.gz UGOSYXNULORLPH-UHFFFAOYSA-N -1 3 273.373 2.906 20 30 CFEDHM C[C@@H]1COC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000905005179 621680714 /nfs/dbraw/zinc/68/07/14/621680714.db2.gz XRCVZROGGNATNF-VVCPNLNESA-N -1 3 284.153 2.609 20 30 CFEDHM CCOCCON=C(C)c1ccc([O-])cc1Cl ZINC000905461984 621778670 /nfs/dbraw/zinc/77/86/70/621778670.db2.gz LHSVTGQLDCBLMB-UHFFFAOYSA-N -1 3 257.717 2.823 20 30 CFEDHM N#Cc1cc(-c2cnc([C@H]3CCCCN3)nc2)ccc1[O-] ZINC000906170952 621943120 /nfs/dbraw/zinc/94/31/20/621943120.db2.gz PPJFYLLHHMHYGA-CQSZACIVSA-N -1 3 280.331 2.535 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@H](C#N)C(C)(C)C)c1 ZINC000906917078 622066157 /nfs/dbraw/zinc/06/61/57/622066157.db2.gz RIQNPXKELGCBQQ-GFCCVEGCSA-N -1 3 296.317 2.841 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000911902463 622578241 /nfs/dbraw/zinc/57/82/41/622578241.db2.gz ACGHSGVZSIHVAZ-GFCCVEGCSA-N -1 3 261.321 2.662 20 30 CFEDHM CC1(C)CCC[C@@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000840459674 622886107 /nfs/dbraw/zinc/88/61/07/622886107.db2.gz HMJCYBQLECBQNP-CYBMUJFWSA-N -1 3 287.315 2.568 20 30 CFEDHM C#CCCCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000170711804 623174416 /nfs/dbraw/zinc/17/44/16/623174416.db2.gz UKPYPVRDEUMOSQ-UHFFFAOYSA-N -1 3 258.277 2.548 20 30 CFEDHM C#CCCCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000170711804 623174420 /nfs/dbraw/zinc/17/44/20/623174420.db2.gz UKPYPVRDEUMOSQ-UHFFFAOYSA-N -1 3 258.277 2.548 20 30 CFEDHM N#CC1(CCOC(=O)c2cccc3nn[n-]c32)CCCCC1 ZINC000840475344 623211017 /nfs/dbraw/zinc/21/10/17/623211017.db2.gz YAOHRSWADYIJPK-UHFFFAOYSA-N -1 3 298.346 2.979 20 30 CFEDHM N#CC1(CCOC(=O)c2cccc3[n-]nnc32)CCCCC1 ZINC000840475344 623211020 /nfs/dbraw/zinc/21/10/20/623211020.db2.gz YAOHRSWADYIJPK-UHFFFAOYSA-N -1 3 298.346 2.979 20 30 CFEDHM N#CC1(CCOC(=O)c2cccc3n[n-]nc32)CCCCC1 ZINC000840475344 623211024 /nfs/dbraw/zinc/21/10/24/623211024.db2.gz YAOHRSWADYIJPK-UHFFFAOYSA-N -1 3 298.346 2.979 20 30 CFEDHM C[C@H](C#N)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824034434 623437787 /nfs/dbraw/zinc/43/77/87/623437787.db2.gz JQHDSLVLAPFTFM-ZCFIWIBFSA-N -1 3 299.281 2.890 20 30 CFEDHM C[C@H](C#N)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824034434 623437792 /nfs/dbraw/zinc/43/77/92/623437792.db2.gz JQHDSLVLAPFTFM-ZCFIWIBFSA-N -1 3 299.281 2.890 20 30 CFEDHM C[C@@H](SCC1(C#N)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757676 623558759 /nfs/dbraw/zinc/55/87/59/623558759.db2.gz ZZIFQPJNUYDRLR-SNVBAGLBSA-N -1 3 285.376 2.965 20 30 CFEDHM C[C@@H](SCC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757676 623558765 /nfs/dbraw/zinc/55/87/65/623558765.db2.gz ZZIFQPJNUYDRLR-SNVBAGLBSA-N -1 3 285.376 2.965 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000313491863 623691441 /nfs/dbraw/zinc/69/14/41/623691441.db2.gz BGFVVADXFSLTHY-UHFFFAOYSA-N -1 3 295.191 2.633 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000825566654 623716698 /nfs/dbraw/zinc/71/66/98/623716698.db2.gz ZIUFUAXJCCPTIS-VHSXEESVSA-N -1 3 281.274 2.500 20 30 CFEDHM CC1(C#N)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826114462 623795741 /nfs/dbraw/zinc/79/57/41/623795741.db2.gz ZVTAASKRGMDHLX-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM CCOC(=O)C(C)(C)ON=C(C)c1cc(F)ccc1[O-] ZINC000835003812 623928456 /nfs/dbraw/zinc/92/84/56/623928456.db2.gz DIFXFYZURXUWAR-UHFFFAOYSA-N -1 3 283.299 2.614 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccco1 ZINC000915113197 623984800 /nfs/dbraw/zinc/98/48/00/623984800.db2.gz QLQJUJONFGFBID-FKZYXTMDSA-N -1 3 265.696 2.791 20 30 CFEDHM CC(=NOC[C@H]1CCOC1)c1cc(Cl)ccc1[O-] ZINC000788037650 624005713 /nfs/dbraw/zinc/00/57/13/624005713.db2.gz XGWHNHROCFJJJU-JTQLQIEISA-N -1 3 269.728 2.823 20 30 CFEDHM CCCCNN=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000915969193 624197231 /nfs/dbraw/zinc/19/72/31/624197231.db2.gz DYIRZWQPIYYAAJ-UHFFFAOYSA-N -1 3 256.733 2.778 20 30 CFEDHM CN(CC#N)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000101536513 625718710 /nfs/dbraw/zinc/71/87/10/625718710.db2.gz HARWYDDBZXXBHI-UHFFFAOYSA-N -1 3 270.332 2.973 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2ccsc2)c1[O-] ZINC000918712563 624471048 /nfs/dbraw/zinc/47/10/48/624471048.db2.gz OVOZNAIKGPDQHL-NPVNMOQSSA-N -1 3 290.388 2.700 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-][C@@H](CC)C(F)F ZINC000830074432 624615080 /nfs/dbraw/zinc/61/50/80/624615080.db2.gz OFQWPEQONGNCCD-JTQLQIEISA-N -1 3 271.373 2.920 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000920387072 624717901 /nfs/dbraw/zinc/71/79/01/624717901.db2.gz KOTBATJNFVKRHK-FMBJEWMDSA-N -1 3 276.380 2.833 20 30 CFEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)c(OC)c1 ZINC000920943162 624785352 /nfs/dbraw/zinc/78/53/52/624785352.db2.gz 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/nfs/dbraw/zinc/75/90/46/626759046.db2.gz FWBHROYGLRFDLA-UHFFFAOYSA-N -1 3 276.336 2.717 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2ccccn2)nc1Cl ZINC000766840949 627222286 /nfs/dbraw/zinc/22/22/86/627222286.db2.gz NRULALLIRFYSCD-SECBINFHSA-N -1 3 287.706 2.629 20 30 CFEDHM CCOc1cc(C=NOC)cc(Br)c1[O-] ZINC000767489542 627255186 /nfs/dbraw/zinc/25/51/86/627255186.db2.gz BUIOLSDFNZJIRN-UHFFFAOYSA-N -1 3 274.114 2.534 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCC(C)(C)C2)c1[O-] ZINC000768268200 627329911 /nfs/dbraw/zinc/32/99/11/627329911.db2.gz FECIRPKUSIMSIM-OPFCKLNOSA-N -1 3 262.353 2.586 20 30 CFEDHM CC(=NNCCN1CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000768772901 627371013 /nfs/dbraw/zinc/37/10/13/627371013.db2.gz LADJHHWNHHEWJY-UHFFFAOYSA-N -1 3 295.814 2.845 20 30 CFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000770394095 627518516 /nfs/dbraw/zinc/51/85/16/627518516.db2.gz WZNSKKSPFIJOQO-JTQLQIEISA-N -1 3 289.759 2.559 20 30 CFEDHM CC(C)c1nccnc1N=NCc1ccc([O-])c(F)c1 ZINC000773090287 627781968 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PAMZATYKSBFEDI-HNNXBMFYSA-N -1 3 272.348 2.922 20 30 CFEDHM C#CC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000857295501 635961917 /nfs/dbraw/zinc/96/19/17/635961917.db2.gz QQISUCZTZGPJOE-UHFFFAOYSA-N -1 3 297.276 2.896 20 30 CFEDHM COc1cc(/C=C/C(=O)c2cnccn2)cc(Cl)c1[O-] ZINC000115962921 636167167 /nfs/dbraw/zinc/16/71/67/636167167.db2.gz PBRDVTAUPLLAND-NSCUHMNNSA-N -1 3 290.706 2.740 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(F)c(Cl)c1 ZINC000862132795 637277708 /nfs/dbraw/zinc/27/77/08/637277708.db2.gz NBYQEZXBUXHIKN-MRVPVSSYSA-N -1 3 257.692 2.644 20 30 CFEDHM C[C@@H](C#N)CN(C)Cc1c([O-])cccc1Br ZINC000862227309 637292382 /nfs/dbraw/zinc/29/23/82/637292382.db2.gz AHWVULNBGIWIBP-VIFPVBQESA-N -1 3 283.169 2.746 20 30 CFEDHM CCN(CC#N)Cc1c([O-])cccc1Br ZINC000862231280 637293170 /nfs/dbraw/zinc/29/31/70/637293170.db2.gz GEVLYOOUBUPCGV-UHFFFAOYSA-N -1 3 269.142 2.500 20 30 CFEDHM CC1(C#N)CN(Cc2c([O-])cccc2Br)C1 ZINC000862389275 637351857 /nfs/dbraw/zinc/35/18/57/637351857.db2.gz 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/nfs/dbraw/zinc/94/69/61/637946961.db2.gz CBGMTHCUAGBNLL-DTWBESLWSA-N -1 3 293.750 2.806 20 30 CFEDHM CCOc1ncccc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866229135 638775111 /nfs/dbraw/zinc/77/51/11/638775111.db2.gz PUNXWSUBSSOGNT-LBPRGKRZSA-N -1 3 297.358 2.908 20 30 CFEDHM CCc1cc(CN[C@H](C)c2cccc(C#N)c2[O-])on1 ZINC000866272608 638786424 /nfs/dbraw/zinc/78/64/24/638786424.db2.gz XVCHDOQQAFRQSJ-SNVBAGLBSA-N -1 3 271.320 2.665 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1c(C)cc(N(C)C)cc1C ZINC000869154388 639051024 /nfs/dbraw/zinc/05/10/24/639051024.db2.gz SDNMJGSHOMYOMB-ZDUSSCGKSA-N -1 3 276.380 2.534 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc2c(n1)CCCC2 ZINC000872010891 641546094 /nfs/dbraw/zinc/54/60/94/641546094.db2.gz NEJWFIXSEOAWTA-UHFFFAOYSA-N -1 3 280.393 2.668 20 30 CFEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000124535207 642213031 /nfs/dbraw/zinc/21/30/31/642213031.db2.gz UAVABQAMUOIYDX-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM C#CCOc1cccc(Cl)c1C=C1SC(=O)[N-]C1=O ZINC000874929236 642555116 /nfs/dbraw/zinc/55/51/16/642555116.db2.gz WVQZECAPAXNIEA-XFFZJAGNSA-N -1 3 293.731 2.676 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000128718838 644875526 /nfs/dbraw/zinc/87/55/26/644875526.db2.gz JUAJBWAESNZZKP-UHFFFAOYSA-N -1 3 299.374 2.742 20 30 CFEDHM CCc1nn(C)c(Cl)c1C([O-])=C(C#N)c1ccccn1 ZINC000130084680 645453187 /nfs/dbraw/zinc/45/31/87/645453187.db2.gz GZSYFFZRNYZNKD-VIFPVBQESA-N -1 3 288.738 2.521 20 30 CFEDHM N#CC1(CCCOC(=O)c2ccc([O-])cc2)CCOCC1 ZINC000800088089 646132186 /nfs/dbraw/zinc/13/21/86/646132186.db2.gz YXIKVMSJTGQMFE-UHFFFAOYSA-N -1 3 289.331 2.650 20 30 CFEDHM C#CCC1(NC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000886796158 647140326 /nfs/dbraw/zinc/14/03/26/647140326.db2.gz RYWKSCWAFFCVJZ-UHFFFAOYSA-N -1 3 263.724 2.721 20 30 CFEDHM C#CCCCCCC(=O)[N-]OCCOc1ccccc1 ZINC000889446689 647573245 /nfs/dbraw/zinc/57/32/45/647573245.db2.gz QDPPYSFWTJCHPE-UHFFFAOYSA-N -1 3 275.348 2.697 20 30 CFEDHM C[C@@H](NCc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1[O-] ZINC000927110973 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COc1cc([O-])c(CN(C)CCC#N)cc1Br ZINC001233135030 777805046 /nfs/dbraw/zinc/80/50/46/777805046.db2.gz JUFBTDLUSHFMGH-UHFFFAOYSA-N -1 3 299.168 2.509 20 30 CFEDHM COC(=O)c1cc(C#N)cc(Nc2ccc(F)c([O-])c2)c1 ZINC001211219002 770455256 /nfs/dbraw/zinc/45/52/56/770455256.db2.gz BKNMLODHNMXHBA-UHFFFAOYSA-N -1 3 286.262 2.933 20 30 CFEDHM CCc1nnc([N-]c2cc(C#N)cc([N+](=O)[O-])c2)s1 ZINC001211326684 770483661 /nfs/dbraw/zinc/48/36/61/770483661.db2.gz DKEXMMZQWGATSB-UHFFFAOYSA-N -1 3 275.293 2.624 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225468695 775467092 /nfs/dbraw/zinc/46/70/92/775467092.db2.gz CYYKNROERSRYDS-GFCCVEGCSA-N -1 3 270.332 2.950 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)[n-]1 ZINC001225468627 775467209 /nfs/dbraw/zinc/46/72/09/775467209.db2.gz BVEFGXQCZIYSSB-WLLOZRIZSA-N -1 3 258.321 2.781 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCCC[C@@H]2F)[n-]1 ZINC001225468884 775468303 /nfs/dbraw/zinc/46/83/03/775468303.db2.gz FLTPXSOZUZJVRZ-JQWIXIFHSA-N 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NMDQKJXRECQZFI-JSGCOSHPSA-N -1 3 290.363 2.982 20 30 CFEDHM C=C[C@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(C)n2)C(C)(C)O1 ZINC001226512995 775855208 /nfs/dbraw/zinc/85/52/08/775855208.db2.gz XLKUIFCNMWODAL-IAQYHMDHSA-N -1 3 278.352 2.772 20 30 CFEDHM C=CC(C=C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532756 775863573 /nfs/dbraw/zinc/86/35/73/775863573.db2.gz UMYBAUXANHFFNM-UHFFFAOYSA-N -1 3 258.273 2.926 20 30 CFEDHM C#C[C@H](CCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532460 775864345 /nfs/dbraw/zinc/86/43/45/775864345.db2.gz QWQBVFHRHBGGNZ-LLVKDONJSA-N -1 3 272.300 2.988 20 30 CFEDHM C#C[C@H](CCCC)Oc1[n-]c(=S)ncc1CC ZINC001227062086 776080684 /nfs/dbraw/zinc/08/06/84/776080684.db2.gz RTHCUGBBKWNJDB-LLVKDONJSA-N -1 3 250.367 2.899 20 30 CFEDHM CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc(C#N)ccc1[O-] ZINC001227345580 776180032 /nfs/dbraw/zinc/18/00/32/776180032.db2.gz OIEFAARPBRIGKT-GFCCVEGCSA-N -1 3 299.273 2.620 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@@H]2CC[C@@]3(CCCCO3)O2)c1 ZINC001227351320 776182723 /nfs/dbraw/zinc/18/27/23/776182723.db2.gz UTCDANZESASMOO-XJKSGUPXSA-N -1 3 289.331 2.718 20 30 CFEDHM CC(C)CCOC(=O)[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351661 776183352 /nfs/dbraw/zinc/18/33/52/776183352.db2.gz XBTOQRSKUOZSNI-LLVKDONJSA-N -1 3 277.320 2.620 20 30 CFEDHM CC(=O)[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227350948 776183558 /nfs/dbraw/zinc/18/35/58/776183558.db2.gz RDKPZMIGFFJWDC-MRXNPFEDSA-N -1 3 267.284 2.973 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@@H]2COc3cscc3O2)c1 ZINC001227351728 776184693 /nfs/dbraw/zinc/18/46/93/776184693.db2.gz YBTJVRLYMXWLFS-SNVBAGLBSA-N -1 3 289.312 2.544 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615923 776245327 /nfs/dbraw/zinc/24/53/27/776245327.db2.gz HGNIBDRJRQFINZ-LURJTMIESA-N -1 3 284.410 2.507 20 30 CFEDHM COC(=O)c1ccc([O-])c(O[C@H](CC#N)c2ccccc2)n1 ZINC001227820405 776299154 /nfs/dbraw/zinc/29/91/54/776299154.db2.gz SZTMKHDYMFOBMI-CQSZACIVSA-N -1 3 298.298 2.608 20 30 CFEDHM C#C[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937493 776335378 /nfs/dbraw/zinc/33/53/78/776335378.db2.gz LMRSQOZCTXQLQB-NSHDSACASA-N -1 3 282.295 2.729 20 30 CFEDHM N#C[C@@H](Oc1nccc(=S)[n-]1)c1cccc(F)c1 ZINC001228129133 776403227 /nfs/dbraw/zinc/40/32/27/776403227.db2.gz XIWVZNJSSXNQHN-SNVBAGLBSA-N -1 3 261.281 2.548 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673318 776562324 /nfs/dbraw/zinc/56/23/24/776562324.db2.gz FWGGBBIBWAAYRF-QMTHXVAHSA-N -1 3 285.303 2.960 20 30 CFEDHM C#C[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228687593 776569841 /nfs/dbraw/zinc/56/98/41/776569841.db2.gz YRYAOIRPSVVPQO-LBPRGKRZSA-N -1 3 284.271 2.757 20 30 CFEDHM N#CC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228698974 776573699 /nfs/dbraw/zinc/57/36/99/776573699.db2.gz ALEMUEBHLFZJRS-CQSZACIVSA-N -1 3 291.314 2.900 20 30 CFEDHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1C#N ZINC001228699929 776574010 /nfs/dbraw/zinc/57/40/10/776574010.db2.gz KVLVRDVBBUWHKS-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697788 776574159 /nfs/dbraw/zinc/57/41/59/776574159.db2.gz LUIXZOKFYDGSTL-VIFPVBQESA-N -1 3 278.381 2.733 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697788 776574161 /nfs/dbraw/zinc/57/41/61/776574161.db2.gz LUIXZOKFYDGSTL-VIFPVBQESA-N -1 3 278.381 2.733 20 30 CFEDHM C[C@@H](CC(C)(C)S)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697788 776574172 /nfs/dbraw/zinc/57/41/72/776574172.db2.gz LUIXZOKFYDGSTL-VIFPVBQESA-N -1 3 278.381 2.733 20 30 CFEDHM C#C[C@H](Oc1nnc(-c2ccncc2)[n-]1)c1ccccc1 ZINC001228697671 776574437 /nfs/dbraw/zinc/57/44/37/776574437.db2.gz NOTYTTOZOIXWQW-AWEZNQCLSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@H](Oc1nc(-c2ccncc2)n[n-]1)c1ccccc1 ZINC001228697671 776574447 /nfs/dbraw/zinc/57/44/47/776574447.db2.gz NOTYTTOZOIXWQW-AWEZNQCLSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228697671 776574455 /nfs/dbraw/zinc/57/44/55/776574455.db2.gz NOTYTTOZOIXWQW-AWEZNQCLSA-N -1 3 276.299 2.620 20 30 CFEDHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1C#N ZINC001228699928 776574571 /nfs/dbraw/zinc/57/45/71/776574571.db2.gz KVLVRDVBBUWHKS-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C=CCC[C@H](CC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700706 776575771 /nfs/dbraw/zinc/57/57/71/776575771.db2.gz WYWUSGZOQZHCEZ-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231076110 777134030 /nfs/dbraw/zinc/13/40/30/777134030.db2.gz IGBSXCXZKYRCJB-CYBMUJFWSA-N -1 3 282.347 2.850 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076110 777134036 /nfs/dbraw/zinc/13/40/36/777134036.db2.gz IGBSXCXZKYRCJB-CYBMUJFWSA-N -1 3 282.347 2.850 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231077430 777134389 /nfs/dbraw/zinc/13/43/89/777134389.db2.gz TZURZLFXGWESDD-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077430 777134393 /nfs/dbraw/zinc/13/43/93/777134393.db2.gz TZURZLFXGWESDD-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121541 777148770 /nfs/dbraw/zinc/14/87/70/777148770.db2.gz MEQKWIXRKZNCBZ-ZDUSSCGKSA-N -1 3 282.347 2.850 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121541 777148774 /nfs/dbraw/zinc/14/87/74/777148774.db2.gz MEQKWIXRKZNCBZ-ZDUSSCGKSA-N -1 3 282.347 2.850 20 30 CFEDHM C#CC[C@@H](CC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850473 777310689 /nfs/dbraw/zinc/31/06/89/777310689.db2.gz KKPRJEGZLSGXAI-SSDOTTSWSA-N -1 3 276.283 2.965 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852493 777311977 /nfs/dbraw/zinc/31/19/77/777311977.db2.gz KTXAFQUGRXRJAB-JGVFFNPUSA-N -1 3 288.294 2.965 20 30 CFEDHM Cc1cc([O-])c(CN2CC[C@H](C#N)C2)cc1Cl ZINC001231870437 777350402 /nfs/dbraw/zinc/35/04/02/777350402.db2.gz ALPRLJKVRZYZRQ-SNVBAGLBSA-N -1 3 250.729 2.700 20 30 CFEDHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccccc1C#N ZINC001226944236 777706373 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ZINC001234692249 778290615 /nfs/dbraw/zinc/29/06/15/778290615.db2.gz MXSXXSSULBCPIS-UHFFFAOYSA-N -1 3 254.289 2.969 20 30 CFEDHM C#C[C@@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792255 778297522 /nfs/dbraw/zinc/29/75/22/778297522.db2.gz XVJJSGPMJHYJFC-NSHDSACASA-N -1 3 262.305 2.702 20 30 CFEDHM N#CC1CCC(Oc2nc(=O)[n-]c3c2SCCC3)CC1 ZINC001234905182 778326414 /nfs/dbraw/zinc/32/64/14/778326414.db2.gz BGTQMVOEGYLYKU-UHFFFAOYSA-N -1 3 291.376 2.682 20 30 CFEDHM N#Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001236531830 778866134 /nfs/dbraw/zinc/86/61/34/778866134.db2.gz QFIURFUPTHWDQA-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001236531830 778866146 /nfs/dbraw/zinc/86/61/46/778866146.db2.gz QFIURFUPTHWDQA-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccccc1N1CCN(Cc2occc2[S-])CC1 ZINC001237184055 779040235 /nfs/dbraw/zinc/04/02/35/779040235.db2.gz WEOZFEBPQWDYCK-UHFFFAOYSA-N -1 3 299.399 2.762 20 30 CFEDHM C=C1O[C@H](CC)C(=O)C1Oc1cccc([O-])c1F ZINC001233870506 779098166 /nfs/dbraw/zinc/09/81/66/779098166.db2.gz DSHHLJGMEOBDHU-SECBINFHSA-N -1 3 252.241 2.520 20 30 CFEDHM CC(=O)[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234145001 779140935 /nfs/dbraw/zinc/14/09/35/779140935.db2.gz ZDUNORUVJQYEEA-MRXNPFEDSA-N -1 3 267.284 2.973 20 30 CFEDHM N#CC1(c2ccc(Nc3[nH]c(=O)[n-]c(=O)c3N=O)cc2)CC1 ZINC001212249994 779523384 /nfs/dbraw/zinc/52/33/84/779523384.db2.gz YDXTYVKDDMYNES-UHFFFAOYSA-N -1 3 297.274 2.584 20 30 CFEDHM C#C[C@](C)(CC)NC(=O)c1cc([O-])cc(Br)c1 ZINC000700682087 780710993 /nfs/dbraw/zinc/71/09/93/780710993.db2.gz FPQMAGFILRIJFX-CYBMUJFWSA-N -1 3 296.164 2.686 20 30 CFEDHM N#Cc1c[nH]c2ccnc(-c3cc([O-])cc(F)c3)c12 ZINC001241262555 780742350 /nfs/dbraw/zinc/74/23/50/780742350.db2.gz OMKKZRFPTLWTNQ-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)ccc1C#N ZINC001241277156 780751161 /nfs/dbraw/zinc/75/11/61/780751161.db2.gz HACNNXNXQNHCIG-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccnc1Cl ZINC000701868319 780846762 /nfs/dbraw/zinc/84/67/62/780846762.db2.gz UIWLJXZNJUMLPO-UHFFFAOYSA-N -1 3 288.800 2.616 20 30 CFEDHM N#Cc1cc2ccccc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241441143 780888403 /nfs/dbraw/zinc/88/84/03/780888403.db2.gz BUPZTPNQDUHMPG-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1cc2ccccc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241441143 780888410 /nfs/dbraw/zinc/88/84/10/780888410.db2.gz BUPZTPNQDUHMPG-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#CCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001241443157 780893001 /nfs/dbraw/zinc/89/30/01/780893001.db2.gz ANRSOKSTCLMWOT-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001241443157 780893009 /nfs/dbraw/zinc/89/30/09/780893009.db2.gz ANRSOKSTCLMWOT-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241444924 780895125 /nfs/dbraw/zinc/89/51/25/780895125.db2.gz JJNKGSXKAMDOML-UHFFFAOYSA-N -1 3 291.314 2.826 20 30 CFEDHM N#CCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241444924 780895133 /nfs/dbraw/zinc/89/51/33/780895133.db2.gz JJNKGSXKAMDOML-UHFFFAOYSA-N -1 3 291.314 2.826 20 30 CFEDHM C#Cc1cccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241922476 781183508 /nfs/dbraw/zinc/18/35/08/781183508.db2.gz VCEHEZWYMDGDIR-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1cccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241922476 781183516 /nfs/dbraw/zinc/18/35/16/781183516.db2.gz VCEHEZWYMDGDIR-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000709582787 781315074 /nfs/dbraw/zinc/31/50/74/781315074.db2.gz IBKYOHMTKGAZRH-SNVBAGLBSA-N -1 3 263.724 2.531 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001242473432 781529130 /nfs/dbraw/zinc/52/91/30/781529130.db2.gz ZOIKOEGOJFYQMU-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001242473432 781529137 /nfs/dbraw/zinc/52/91/37/781529137.db2.gz ZOIKOEGOJFYQMU-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(C#N)c1 ZINC001242592737 781625169 /nfs/dbraw/zinc/62/51/69/781625169.db2.gz ADZFVEACIRDDPE-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(C#N)c1 ZINC001242592737 781625171 /nfs/dbraw/zinc/62/51/71/781625171.db2.gz ADZFVEACIRDDPE-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM COC(OC)c1c(C#N)ccnc1-c1cc([O-])ccc1F ZINC001242761231 781745557 /nfs/dbraw/zinc/74/55/57/781745557.db2.gz BNNCMAWQBMRAMV-UHFFFAOYSA-N -1 3 288.278 2.756 20 30 CFEDHM N#Cc1ccc(-c2cc([O-])cc(C(F)(F)F)c2)nn1 ZINC001242780655 781757650 /nfs/dbraw/zinc/75/76/50/781757650.db2.gz VUOHXVSMTJITOA-UHFFFAOYSA-N -1 3 265.194 2.740 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000594856751 349490904 /nfs/dbraw/zinc/49/09/04/349490904.db2.gz AJZWECOBKJTXKC-LBPRGKRZSA-N -1 3 298.795 2.679 20 30 CFEDHM CCc1cc(C(=O)N(C)CC(C)(C)C#N)ccc1[O-] ZINC000353306544 529510540 /nfs/dbraw/zinc/51/05/40/529510540.db2.gz WOVKVAOLFATZSJ-UHFFFAOYSA-N -1 3 260.337 2.576 20 30 CFEDHM Cc1ccccc1CS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000071648803 346922472 /nfs/dbraw/zinc/92/24/72/346922472.db2.gz XZRXCRCUOXAIFR-UHFFFAOYSA-N -1 3 292.404 2.641 20 30 CFEDHM C[C@@H]1C[C@H](CCN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596192498 349822930 /nfs/dbraw/zinc/82/29/30/349822930.db2.gz GYVMLOMSOXVIKW-RKDXNWHRSA-N -1 3 285.800 2.707 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC)COCC(F)(F)F ZINC000295440366 199510773 /nfs/dbraw/zinc/51/07/73/199510773.db2.gz OFVYNVOMBZFBCV-QMMMGPOBSA-N -1 3 289.244 2.672 20 30 CFEDHM Cc1nsc([N-]C(=O)c2ccc(F)c(F)c2F)c1C#N ZINC000335879777 282440625 /nfs/dbraw/zinc/44/06/25/282440625.db2.gz PLRMHWPOCZNGCN-UHFFFAOYSA-N -1 3 297.261 2.993 20 30 CFEDHM CC(C)c1cc([N-]C(=O)COc2ccccc2C#N)on1 ZINC000021325810 346246345 /nfs/dbraw/zinc/24/63/45/346246345.db2.gz DSJBIINDLGWNJE-UHFFFAOYSA-N -1 3 285.303 2.687 20 30 CFEDHM O=C([N-]c1nc[nH]n1)c1cc2cc(Cl)ccc2o1 ZINC000023141738 346251780 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ZINC000057524254 539605678 /nfs/dbraw/zinc/60/56/78/539605678.db2.gz AAWNUKXKUBMWGI-UHFFFAOYSA-N -1 3 265.268 2.712 20 30 CFEDHM CC(C)[C@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280947047 348341961 /nfs/dbraw/zinc/34/19/61/348341961.db2.gz QBVHCZYLSOFHKR-AWEZNQCLSA-N -1 3 268.316 2.823 20 30 CFEDHM N#CC1(CNCc2cc([O-])ccc2Br)CC1 ZINC000381541075 348527139 /nfs/dbraw/zinc/52/71/39/348527139.db2.gz HVHVIWPRVDIMMC-UHFFFAOYSA-N -1 3 281.153 2.548 20 30 CFEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc([O-])ccc1Cl ZINC000590206038 348885806 /nfs/dbraw/zinc/88/58/06/348885806.db2.gz CPYSNRFCRHOEGK-VIFPVBQESA-N -1 3 266.728 2.714 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000590763657 348944873 /nfs/dbraw/zinc/94/48/73/348944873.db2.gz UDVVWGAOSAITKP-UHFFFAOYSA-N -1 3 297.738 2.983 20 30 CFEDHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539023 349291655 /nfs/dbraw/zinc/29/16/55/349291655.db2.gz XATCVOKEFQAGJF-QWRGUYRKSA-N -1 3 298.433 2.724 20 30 CFEDHM CCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCC1 ZINC000593607856 349298237 /nfs/dbraw/zinc/29/82/37/349298237.db2.gz OUYUAKOOTHYTAF-NSHDSACASA-N -1 3 298.433 2.867 20 30 CFEDHM CCc1cc(C(=O)NCC2(C#N)CCCC2)ccc1[O-] ZINC000593774887 349323479 /nfs/dbraw/zinc/32/34/79/349323479.db2.gz HALMONXOUWSXLG-UHFFFAOYSA-N -1 3 272.348 2.768 20 30 CFEDHM Cc1nsc([N-]C(=O)Nc2c[nH]nc2C2CC2)c1C#N ZINC000596901587 350003718 /nfs/dbraw/zinc/00/37/18/350003718.db2.gz MLVJCOPYQCGDHG-UHFFFAOYSA-N -1 3 288.336 2.568 20 30 CFEDHM N#CCC1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000597203252 350054503 /nfs/dbraw/zinc/05/45/03/350054503.db2.gz IUOILQPAYDESAE-UHFFFAOYSA-N -1 3 270.254 2.756 20 30 CFEDHM N#CC1(CC(=O)Nc2ncccc2[O-])CCCCC1 ZINC000597492030 350104013 /nfs/dbraw/zinc/10/40/13/350104013.db2.gz SJPXDJKUJWJXKS-UHFFFAOYSA-N -1 3 259.309 2.590 20 30 CFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000597544732 350109954 /nfs/dbraw/zinc/10/99/54/350109954.db2.gz JIZFPKIMJNYTGX-ZETCQYMHSA-N -1 3 288.225 2.779 20 30 CFEDHM COc1ccc([O-])c(C(=O)NCC2(C#N)CCCCC2)c1 ZINC000598302361 350229681 /nfs/dbraw/zinc/22/96/81/350229681.db2.gz FZLPCTSVMOUPJO-UHFFFAOYSA-N -1 3 288.347 2.605 20 30 CFEDHM N#Cc1[n-]c(=NCC[C@@H]2CC2(F)F)sc1Cl ZINC000598637901 350299116 /nfs/dbraw/zinc/29/91/16/350299116.db2.gz MACHLGPCMKWTLI-RXMQYKEDSA-N -1 3 263.700 2.547 20 30 CFEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000598859254 350342481 /nfs/dbraw/zinc/34/24/81/350342481.db2.gz VAMMICCURPYBEN-UHFFFAOYSA-N -1 3 282.303 2.688 20 30 CFEDHM Cc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1C#N ZINC000600703558 350598282 /nfs/dbraw/zinc/59/82/82/350598282.db2.gz XGBPRZFGOMYRFQ-CYBMUJFWSA-N -1 3 272.348 2.553 20 30 CFEDHM N#CC1(c2nc(-c3ccc([O-])cc3)no2)CC2(CC2)C1 ZINC000601369655 350727472 /nfs/dbraw/zinc/72/74/72/350727472.db2.gz JNYSQOFEBUBNDC-UHFFFAOYSA-N -1 3 267.288 2.778 20 30 CFEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000602229771 350854299 /nfs/dbraw/zinc/85/42/99/350854299.db2.gz LDOHNBKSFZLMKR-UHFFFAOYSA-N -1 3 273.317 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CCc1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000049155721 373273503 /nfs/dbraw/zinc/27/35/03/373273503.db2.gz NQOWJFQLZALTHY-VIFPVBQESA-N -1 3 257.318 2.591 20 30 CFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000050336852 373369797 /nfs/dbraw/zinc/36/97/97/373369797.db2.gz KXJBWWDVCPMISX-SSDOTTSWSA-N -1 3 293.175 2.574 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2CC(c3ccccc3)C2)c1[O-] ZINC000264033363 383691040 /nfs/dbraw/zinc/69/10/40/383691040.db2.gz MEJDRWPIKSABOZ-KEBDBYFISA-N -1 3 296.370 2.953 20 30 CFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1Cc2ccccc2O1 ZINC000076653315 374557414 /nfs/dbraw/zinc/55/74/14/374557414.db2.gz FOJVVYHGYYGAFT-LBPRGKRZSA-N -1 3 296.286 2.656 20 30 CFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1Cc2ccccc2O1 ZINC000076653315 374557419 /nfs/dbraw/zinc/55/74/19/374557419.db2.gz FOJVVYHGYYGAFT-LBPRGKRZSA-N -1 3 296.286 2.656 20 30 CFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1Cc2ccccc2O1 ZINC000076653315 374557423 /nfs/dbraw/zinc/55/74/23/374557423.db2.gz FOJVVYHGYYGAFT-LBPRGKRZSA-N -1 3 296.286 2.656 20 30 CFEDHM C[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccc(C#N)cc1 ZINC000492399889 246280952 /nfs/dbraw/zinc/28/09/52/246280952.db2.gz PQHNYZGXIFQXTH-RPTYSRGTSA-N -1 3 293.326 2.549 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)nc2)c1[O-] ZINC000116979337 376218892 /nfs/dbraw/zinc/21/88/92/376218892.db2.gz SCRRKQCFFUGIBL-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2ccc(C#N)cc2C)c1 ZINC000119526949 376430297 /nfs/dbraw/zinc/43/02/97/376430297.db2.gz UBVSJBZZFRMROX-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM N#Cc1ccc(CNCc2ccc([O-])c(F)c2)cc1 ZINC000120513307 376632123 /nfs/dbraw/zinc/63/21/23/376632123.db2.gz HYCBKRLVAZZRGY-UHFFFAOYSA-N -1 3 256.280 2.693 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000122655674 376934994 /nfs/dbraw/zinc/93/49/94/376934994.db2.gz JRCRKBFJEPBKOJ-UHFFFAOYSA-N -1 3 280.176 2.848 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccccc1SC ZINC000123019951 376944192 /nfs/dbraw/zinc/94/41/92/376944192.db2.gz ZYFOCEOOADQTFX-UHFFFAOYSA-N -1 3 257.380 2.726 20 30 CFEDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451822515 383717852 /nfs/dbraw/zinc/71/78/52/383717852.db2.gz HPFNITWHVJFPIJ-KOLCDFICSA-N -1 3 298.795 2.536 20 30 CFEDHM CCC(CC)(C/N=C/c1ccccc1[O-])C(=O)OC ZINC000129580029 377446651 /nfs/dbraw/zinc/44/66/51/377446651.db2.gz YQHSWRXWWKDZLG-MHWRWJLKSA-N -1 3 263.337 2.791 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000152146279 378397954 /nfs/dbraw/zinc/39/79/54/378397954.db2.gz BCGIKGBXQANRKM-SNVBAGLBSA-N -1 3 288.322 2.670 20 30 CFEDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000152898929 378455902 /nfs/dbraw/zinc/45/59/02/378455902.db2.gz RFADOKFJBZAKGC-WCQYABFASA-N -1 3 296.367 2.554 20 30 CFEDHM O=C(NCc1ncccc1[O-])c1coc(C2CCCC2)n1 ZINC000328774574 378423877 /nfs/dbraw/zinc/42/38/77/378423877.db2.gz SDCYNCXMYRWZSF-UHFFFAOYSA-N -1 3 287.319 2.938 20 30 CFEDHM Cc1cnc(C(C)(C)NC(=O)c2csc(=O)[n-]2)s1 ZINC000329904562 378511694 /nfs/dbraw/zinc/51/16/94/378511694.db2.gz ABCNTXCDHHVPSB-UHFFFAOYSA-N -1 3 283.378 2.854 20 30 CFEDHM O=C(NCc1ccc2c(n1)CCCC2)c1csc(=O)[n-]1 ZINC000329940796 378515921 /nfs/dbraw/zinc/51/59/21/378515921.db2.gz URBHFHOQQWQAEK-UHFFFAOYSA-N -1 3 289.360 2.627 20 30 CFEDHM CC(C)CC1(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329949870 378517638 /nfs/dbraw/zinc/51/76/38/378517638.db2.gz BXZYXEDQOJUATR-UHFFFAOYSA-N -1 3 254.355 2.980 20 30 CFEDHM C=CCCCN(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163694582 378987399 /nfs/dbraw/zinc/98/73/99/378987399.db2.gz ZZHXCQQLBPDRTL-UHFFFAOYSA-N -1 3 266.316 2.639 20 30 CFEDHM N#Cc1ccccc1C[S@@](=O)c1cccc([O-])c1 ZINC000334277347 379021239 /nfs/dbraw/zinc/02/12/39/379021239.db2.gz OJFHSJMSVVZMPH-GOSISDBHSA-N -1 3 257.314 2.572 20 30 CFEDHM N#CCC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000335308154 379053875 /nfs/dbraw/zinc/05/38/75/379053875.db2.gz AZPNYTSBBJJYBX-UHFFFAOYSA-N -1 3 266.291 2.796 20 30 CFEDHM N#CCCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000335384766 379198229 /nfs/dbraw/zinc/19/82/29/379198229.db2.gz LVRMTPHFRIMWEC-UHFFFAOYSA-N -1 3 258.321 2.548 20 30 CFEDHM N#Cc1cccc(F)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000334469931 379356483 /nfs/dbraw/zinc/35/64/83/379356483.db2.gz FAFUFZVYMNITLQ-UHFFFAOYSA-N -1 3 288.253 2.723 20 30 CFEDHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)C#N ZINC000334525184 379453198 /nfs/dbraw/zinc/45/31/98/379453198.db2.gz GRBNQVCFNYNERX-ZCFIWIBFSA-N -1 3 283.125 2.561 20 30 CFEDHM N#C[C@]1(C(=O)Nc2ccc([O-])cc2F)CC12CCCC2 ZINC000334574343 379556893 /nfs/dbraw/zinc/55/68/93/379556893.db2.gz AZGUYVROATZGPI-HNNXBMFYSA-N -1 3 274.295 2.944 20 30 CFEDHM CC(C)c1scnc1[N-]C(=O)c1ccc(C#N)o1 ZINC000335588539 379567393 /nfs/dbraw/zinc/56/73/93/379567393.db2.gz SPSDIHOOJCZXHO-UHFFFAOYSA-N -1 3 261.306 2.983 20 30 CFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1[O-] ZINC000335817247 379938008 /nfs/dbraw/zinc/93/80/08/379938008.db2.gz PTLMXOGPGQUXSB-BDJLRTHQSA-N -1 3 272.348 2.903 20 30 CFEDHM CCCOc1ccc(/C=N/C[C@@H](C)C(=O)OCC)c([O-])c1 ZINC000175899881 380152684 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ZINC000295440363 380857705 /nfs/dbraw/zinc/85/77/05/380857705.db2.gz OFVYNVOMBZFBCV-MRVPVSSYSA-N -1 3 289.244 2.672 20 30 CFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000182011279 380965058 /nfs/dbraw/zinc/96/50/58/380965058.db2.gz JOUCDJIUODRUQQ-SMDDNHRTSA-N -1 3 296.367 2.576 20 30 CFEDHM C=CCCN(C)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000341464545 381028644 /nfs/dbraw/zinc/02/86/44/381028644.db2.gz LXCFGDQPPGKUNT-UHFFFAOYSA-N -1 3 284.363 2.819 20 30 CFEDHM C=CC[C@@H](CO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000296089217 381251720 /nfs/dbraw/zinc/25/17/20/381251720.db2.gz TWPSPWBCGNTWJI-HNNXBMFYSA-N -1 3 299.370 2.531 20 30 CFEDHM Cc1ccc(C#N)c(NCc2ccc([O-])c(F)c2)n1 ZINC000342366317 381298385 /nfs/dbraw/zinc/29/83/85/381298385.db2.gz XIGSACMLZAPBMP-UHFFFAOYSA-N -1 3 257.268 2.719 20 30 CFEDHM C=C(C[N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000290195939 381337709 /nfs/dbraw/zinc/33/77/09/381337709.db2.gz MYPQHWWSJFQCJU-UHFFFAOYSA-N -1 3 261.218 2.716 20 30 CFEDHM C#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000290851939 381574724 /nfs/dbraw/zinc/57/47/24/381574724.db2.gz JBUACRZKDVSNEI-GFCCVEGCSA-N -1 3 265.740 2.823 20 30 CFEDHM Cc1ccnc(NCc2ccc([O-])c(F)c2)c1C#N ZINC000343509344 381762080 /nfs/dbraw/zinc/76/20/80/381762080.db2.gz KFUFKOVKFMIGGT-UHFFFAOYSA-N -1 3 257.268 2.719 20 30 CFEDHM C=CCCCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355750299 381801262 /nfs/dbraw/zinc/80/12/62/381801262.db2.gz LPWCBJAJKHUBMD-UHFFFAOYSA-N -1 3 270.336 2.558 20 30 CFEDHM C[C@H]1CCN(C(=O)c2cc(C#N)cn2C)c2c([O-])cccc21 ZINC000186331865 381883459 /nfs/dbraw/zinc/88/34/59/381883459.db2.gz RQDKEXFXXOEMDU-NSHDSACASA-N -1 3 295.342 2.756 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]CCSC(F)(F)F ZINC000293253564 382050029 /nfs/dbraw/zinc/05/00/29/382050029.db2.gz XBCFIRJSAPOWIF-UHFFFAOYSA-N -1 3 263.231 2.567 20 30 CFEDHM CCOc1cc(-c2noc([C@@]3(C#N)C[C@@H]3C)n2)ccc1[O-] ZINC000351100754 382027241 /nfs/dbraw/zinc/02/72/41/382027241.db2.gz VYXKOCMWZHSVBG-BJOHPYRUSA-N -1 3 285.303 2.642 20 30 CFEDHM CCOc1cc(-c2noc([C@]3(C#N)C[C@@H]3C)n2)ccc1[O-] ZINC000351100757 382027746 /nfs/dbraw/zinc/02/77/46/382027746.db2.gz VYXKOCMWZHSVBG-VFZGTOFNSA-N -1 3 285.303 2.642 20 30 CFEDHM N#Cc1c(F)cccc1C(=O)Nc1cccc([O-])c1 ZINC000187274051 382144442 /nfs/dbraw/zinc/14/44/42/382144442.db2.gz WGJRNRBKAVLEHB-UHFFFAOYSA-N -1 3 256.236 2.655 20 30 CFEDHM N#CC(=C([O-])c1cncc(F)c1)c1nc2ccccc2[nH]1 ZINC000346228726 382337357 /nfs/dbraw/zinc/33/73/57/382337357.db2.gz VNEXLURKJGFJBI-LLVKDONJSA-N -1 3 280.262 2.587 20 30 CFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncc(F)c1 ZINC000346229839 382337829 /nfs/dbraw/zinc/33/78/29/382337829.db2.gz WLJXEQFLDAENLI-GFCCVEGCSA-N -1 3 294.289 2.597 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346218613 382337899 /nfs/dbraw/zinc/33/78/99/382337899.db2.gz JNGMOXGNLHIRKX-LBPRGKRZSA-N -1 3 278.327 2.662 20 30 CFEDHM C=CCSCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345249516 382292993 /nfs/dbraw/zinc/29/29/93/382292993.db2.gz BMBSEEHHXUXRJI-UHFFFAOYSA-N -1 3 297.395 2.889 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccoc3)nc21 ZINC000345373768 382299765 /nfs/dbraw/zinc/29/97/65/382299765.db2.gz MGOOVMMHRPMYJV-NSHDSACASA-N -1 3 265.272 2.954 20 30 CFEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1ccncn1 ZINC000680618823 542343238 /nfs/dbraw/zinc/34/32/38/542343238.db2.gz XFOVQBWWKNFTFS-VIFPVBQESA-N -1 3 268.301 2.509 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCC1 ZINC000382857904 382537503 /nfs/dbraw/zinc/53/75/03/382537503.db2.gz VCFIOMDTLFHDNT-GFCCVEGCSA-N -1 3 298.433 2.867 20 30 CFEDHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000190761383 382679938 /nfs/dbraw/zinc/67/99/38/382679938.db2.gz YCTDYMSNKUDPBE-AWEZNQCLSA-N -1 3 293.326 2.839 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000398248898 382635494 /nfs/dbraw/zinc/63/54/94/382635494.db2.gz KQVBQQFWDNJBIF-LLVKDONJSA-N -1 3 263.337 2.875 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337457170 382824146 /nfs/dbraw/zinc/82/41/46/382824146.db2.gz KLKJMKSOJDBKNF-VIFPVBQESA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337457170 382824148 /nfs/dbraw/zinc/82/41/48/382824148.db2.gz KLKJMKSOJDBKNF-VIFPVBQESA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337457170 382824149 /nfs/dbraw/zinc/82/41/49/382824149.db2.gz KLKJMKSOJDBKNF-VIFPVBQESA-N -1 3 276.315 2.572 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C/c1ccc(OC)c(OCC)c1 ZINC000493829077 382905217 /nfs/dbraw/zinc/90/52/17/382905217.db2.gz WHZQMCSQASLICM-VQHVLOKHSA-N -1 3 291.347 2.731 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)s1 ZINC000230336003 382859586 /nfs/dbraw/zinc/85/95/86/382859586.db2.gz BJNSSYHJTCAJCU-UHFFFAOYSA-N -1 3 296.417 2.789 20 30 CFEDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230337000 382859774 /nfs/dbraw/zinc/85/97/74/382859774.db2.gz OZQCSTDJLSPHOW-CMPLNLGQSA-N -1 3 298.433 2.867 20 30 CFEDHM COc1ccc(NC(=O)c2ccc(C#N)s2)c([O-])c1 ZINC000442705382 382946934 /nfs/dbraw/zinc/94/69/34/382946934.db2.gz NBAMCLLATGWNDQ-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000539813816 382962303 /nfs/dbraw/zinc/96/23/03/382962303.db2.gz LZDHYBCZZLHZSM-CQSZACIVSA-N -1 3 298.383 2.573 20 30 CFEDHM C=C(C)CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444332153 382973588 /nfs/dbraw/zinc/97/35/88/382973588.db2.gz RNHABNQMNUDQFU-UHFFFAOYSA-N -1 3 295.338 2.929 20 30 CFEDHM C=CCCCCCNC(=O)N=c1cc2ccccn2[n-]1 ZINC000583880238 383093952 /nfs/dbraw/zinc/09/39/52/383093952.db2.gz RGILWHNOXBIOAA-UHFFFAOYSA-N -1 3 272.352 2.624 20 30 CFEDHM C=CCC[C@H](NCc1c(F)ccc([O-])c1F)C(=O)OCC ZINC000449658033 383360090 /nfs/dbraw/zinc/36/00/90/383360090.db2.gz RXDRAXOBXZMZQA-LBPRGKRZSA-N -1 3 299.317 2.658 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528598651 383586949 /nfs/dbraw/zinc/58/69/49/383586949.db2.gz SWRQHWLYOJKRRC-MRVPVSSYSA-N -1 3 284.153 2.849 20 30 CFEDHM Cc1ccc(C(=O)NCc2cc(C#N)ccc2F)c([O-])c1C ZINC000436580628 383845322 /nfs/dbraw/zinc/84/53/22/383845322.db2.gz CGOCIVTVCCBUFU-UHFFFAOYSA-N -1 3 298.317 2.950 20 30 CFEDHM C=CCN(C(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C1CC1 ZINC000436764218 383893012 /nfs/dbraw/zinc/89/30/12/383893012.db2.gz KHTHJSXFJXPMOE-UHFFFAOYSA-N -1 3 287.359 2.896 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436839219 383897673 /nfs/dbraw/zinc/89/76/73/383897673.db2.gz NJSGQZYWIAZSAW-UHFFFAOYSA-N -1 3 258.321 2.551 20 30 CFEDHM CCCCOc1ccc(C(=O)N(C)C[C@H](C)C#N)c([O-])c1 ZINC000436988259 383900690 /nfs/dbraw/zinc/90/06/90/383900690.db2.gz LBYCUZDQLBYCJY-GFCCVEGCSA-N -1 3 290.363 2.803 20 30 CFEDHM C=C(C)CN1CCC(N=c2[n-]nc(C(C)(C)CC)o2)CC1 ZINC000641359019 384177067 /nfs/dbraw/zinc/17/70/67/384177067.db2.gz LWCLWYLKWMQFCR-UHFFFAOYSA-N -1 3 292.427 2.632 20 30 CFEDHM COc1cc(OCc2cc(=O)[n-]c(C3CC3)n2)ccc1C#N ZINC000413008154 533094295 /nfs/dbraw/zinc/09/42/95/533094295.db2.gz WUGCVIKITBJZGS-UHFFFAOYSA-N -1 3 297.314 2.519 20 30 CFEDHM N#C[C@@H]1CC[C@H](N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092111 385183369 /nfs/dbraw/zinc/18/33/69/385183369.db2.gz JRMZIOVWNBQOLO-CJNGLKHVSA-N -1 3 298.386 2.979 20 30 CFEDHM COc1cccc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c1[O-] ZINC000331226664 335052459 /nfs/dbraw/zinc/05/24/59/335052459.db2.gz FNNGBACGJLURHE-GHMZBOCLSA-N -1 3 279.336 2.521 20 30 CFEDHM Cc1cc(Cl)cc(CN(C)C[C@@H](C)C#N)c1[O-] ZINC000271696176 385389392 /nfs/dbraw/zinc/38/93/92/385389392.db2.gz BEEAEULGRSFOAI-VIFPVBQESA-N -1 3 252.745 2.946 20 30 CFEDHM CCCN(CC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271319675 385380131 /nfs/dbraw/zinc/38/01/31/385380131.db2.gz YDLQXTFQOPFGAA-UHFFFAOYSA-N -1 3 272.348 2.647 20 30 CFEDHM CCc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1C ZINC000305982961 393503688 /nfs/dbraw/zinc/50/36/88/393503688.db2.gz IFMXKFNWLZLNPI-CYBMUJFWSA-N -1 3 266.366 2.601 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311956261 393520906 /nfs/dbraw/zinc/52/09/06/393520906.db2.gz KNFDUZRZKCUPHE-UHFFFAOYSA-N -1 3 298.795 2.846 20 30 CFEDHM C=CCCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000338764061 393798007 /nfs/dbraw/zinc/79/80/07/393798007.db2.gz SLHXEHPEDYICQE-UHFFFAOYSA-N -1 3 255.321 2.712 20 30 CFEDHM CC(C)c1ccc(C(=O)NCC2(C#N)CCC2)c([O-])c1 ZINC000416349614 393909209 /nfs/dbraw/zinc/90/92/09/393909209.db2.gz ZLXQCSXFJBFHAI-UHFFFAOYSA-N -1 3 272.348 2.939 20 30 CFEDHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000416507943 393923511 /nfs/dbraw/zinc/92/35/11/393923511.db2.gz PWTKNHYUQPSCTO-SNVBAGLBSA-N -1 3 298.383 2.800 20 30 CFEDHM C[C@@]1(C/N=C/c2ccc(O)c([O-])c2O)CCCS1 ZINC000121019646 393945688 /nfs/dbraw/zinc/94/56/88/393945688.db2.gz ZZMDYBGZSOARTI-PZMUVPOTSA-N -1 3 267.350 2.508 20 30 CFEDHM C/C=C\c1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000416960810 393947193 /nfs/dbraw/zinc/94/71/93/393947193.db2.gz OODKVHCPQZDQQL-DXTPNHAXSA-N -1 3 264.350 2.764 20 30 CFEDHM CCCOc1cc([O-])ccc1NC(=O)c1cnccc1C#N ZINC000487644523 394017023 /nfs/dbraw/zinc/01/70/23/394017023.db2.gz ZETFNTCKOZTYJD-UHFFFAOYSA-N -1 3 297.314 2.700 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1csc(=O)[n-]1 ZINC000349544495 393971201 /nfs/dbraw/zinc/97/12/01/393971201.db2.gz JOYDGGSGSZKDNK-UHFFFAOYSA-N -1 3 281.381 2.641 20 30 CFEDHM C=CCCO[C@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350487748 393977162 /nfs/dbraw/zinc/97/71/62/393977162.db2.gz PWLUWOBTUUVUTE-SECBINFHSA-N -1 3 285.307 2.662 20 30 CFEDHM CC1(C)CCC(NCc2nc(C#N)cs2)(C(=O)[O-])CC1 ZINC000417594318 393981371 /nfs/dbraw/zinc/98/13/71/393981371.db2.gz WKMDIKMFKKXSGI-UHFFFAOYSA-N -1 3 293.392 2.528 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(OCCC)c1 ZINC000417628241 393986921 /nfs/dbraw/zinc/98/69/21/393986921.db2.gz QTEQXZHTLDWESY-CQSZACIVSA-N -1 3 277.364 2.984 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccccc1OCC1CC1 ZINC000417629695 393987592 /nfs/dbraw/zinc/98/75/92/393987592.db2.gz SSDATIQQXPPEBT-OAHLLOKOSA-N -1 3 289.375 2.984 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000417630236 393987663 /nfs/dbraw/zinc/98/76/63/393987663.db2.gz UNTYZTRCYDTJTD-NSHDSACASA-N -1 3 271.719 2.988 20 30 CFEDHM C=CCOc1cccc(CN[C@H](C=C)CCC(=O)[O-])c1 ZINC000417634928 393988177 /nfs/dbraw/zinc/98/81/77/393988177.db2.gz ZIWKIITZFIVEDP-CQSZACIVSA-N -1 3 275.348 2.760 20 30 CFEDHM C=CCO[N-]C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000493063849 394138201 /nfs/dbraw/zinc/13/82/01/394138201.db2.gz MVAXFNLNFFOFKV-VOTSOKGWSA-N -1 3 297.786 2.748 20 30 CFEDHM C=CCCCCCNC(=O)/C=C\c1cncc([O-])c1 ZINC000493151060 394162692 /nfs/dbraw/zinc/16/26/92/394162692.db2.gz JEBROWNJDIGDDZ-FPLPWBNLSA-N -1 3 260.337 2.663 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1cc(C)ccc1OC ZINC000493398650 394231966 /nfs/dbraw/zinc/23/19/66/394231966.db2.gz WTOBFGQSLPFUDV-CRALRDPISA-N -1 3 261.321 2.639 20 30 CFEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000519744556 394377049 /nfs/dbraw/zinc/37/70/49/394377049.db2.gz LTMLTXKUOGEINB-JVXZTZIISA-N -1 3 295.136 2.643 20 30 CFEDHM N#Cc1[n-]c(=NC[C@H]2CCN2C2CCCC2)sc1Cl ZINC000528207328 394402538 /nfs/dbraw/zinc/40/25/38/394402538.db2.gz CDHSHQIOAUAZQK-SNVBAGLBSA-N -1 3 296.827 2.519 20 30 CFEDHM COc1ccnc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647380448 395320550 /nfs/dbraw/zinc/32/05/50/395320550.db2.gz TYEUONVIOYPGOE-NSHDSACASA-N -1 3 299.355 2.914 20 30 CFEDHM Cn1ncc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1C#N ZINC000356479752 155279325 /nfs/dbraw/zinc/27/93/25/155279325.db2.gz AHXFLJDVKNAOQS-UHFFFAOYSA-N -1 3 298.346 2.547 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000657036362 413294078 /nfs/dbraw/zinc/29/40/78/413294078.db2.gz FIZCCJODKAOBSD-RISCZKNCSA-N -1 3 298.383 2.634 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000657252099 413366183 /nfs/dbraw/zinc/36/61/83/413366183.db2.gz SAMAVIYMXRVFJB-OUAUKWLOSA-N -1 3 265.382 2.698 20 30 CFEDHM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263357 413384302 /nfs/dbraw/zinc/38/43/02/413384302.db2.gz LMAPSJAEBYLQJD-RYUDHWBXSA-N -1 3 280.331 2.665 20 30 CFEDHM COC(=O)c1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001243147670 782017010 /nfs/dbraw/zinc/01/70/10/782017010.db2.gz LQHSYODOWSUVDV-SDXDJHTJSA-N -1 3 282.299 2.660 20 30 CFEDHM C=CCOc1ccc(CNC2(C(=O)[O-])CC2)cc1Cl ZINC000284235974 196009484 /nfs/dbraw/zinc/00/94/84/196009484.db2.gz NKKPBKCYQJZNGI-UHFFFAOYSA-N -1 3 281.739 2.612 20 30 CFEDHM C#Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000019836736 170885437 /nfs/dbraw/zinc/88/54/37/170885437.db2.gz FZXJKICYEBVNHN-UHFFFAOYSA-N -1 3 251.285 2.934 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000651733123 413597894 /nfs/dbraw/zinc/59/78/94/413597894.db2.gz XKXIMSIGIOXGIG-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM C=CCN(Cc1cccs1)CC1(C(=O)[O-])CC1 ZINC000652379493 413916445 /nfs/dbraw/zinc/91/64/45/413916445.db2.gz PEGCKCYCALIMIL-UHFFFAOYSA-N -1 3 251.351 2.601 20 30 CFEDHM C=CC[C@H]1CCCN(Cc2nc(CC)cc(=O)[n-]2)C1 ZINC000661381479 413943395 /nfs/dbraw/zinc/94/33/95/413943395.db2.gz LTOSWBDUCSBKSO-LBPRGKRZSA-N -1 3 261.369 2.533 20 30 CFEDHM N#CC(=C([O-])c1cccc(N2CCCC2)c1)c1ccncn1 ZINC000659115480 414441427 /nfs/dbraw/zinc/44/14/27/414441427.db2.gz ZCUNUCRRTOYQSH-OAHLLOKOSA-N -1 3 292.342 2.567 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1[O-] ZINC000335158943 225703026 /nfs/dbraw/zinc/70/30/26/225703026.db2.gz YDSNHVNPPYYMCI-SDBXPKJASA-N -1 3 264.712 2.842 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1C ZINC000354475857 227007847 /nfs/dbraw/zinc/00/78/47/227007847.db2.gz YIDUONIPBNWIBP-ZDUSSCGKSA-N -1 3 251.289 2.584 20 30 CFEDHM CCn1c(C([O-])=C(C#N)c2ccncn2)cc2ccccc21 ZINC000354472677 227008445 /nfs/dbraw/zinc/00/84/45/227008445.db2.gz PHCRZFPCQGGSAA-ZDUSSCGKSA-N -1 3 290.326 2.941 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)F)cc1)c1ccncn1 ZINC000354482457 227012842 /nfs/dbraw/zinc/01/28/42/227012842.db2.gz ZXUMUFWXHLGDGQ-LLVKDONJSA-N -1 3 273.242 2.904 20 30 CFEDHM COCc1nc(S[C@@H](C#N)C2CCCCC2)n[n-]1 ZINC000353822384 228156228 /nfs/dbraw/zinc/15/62/28/228156228.db2.gz FAXQEGLBTSSRQC-JTQLQIEISA-N -1 3 266.370 2.516 20 30 CFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000040363219 260176380 /nfs/dbraw/zinc/17/63/80/260176380.db2.gz YOMGRXYOJYVPCW-VIFPVBQESA-N -1 3 293.175 2.574 20 30 CFEDHM CCCOc1ccc(/C=N/[C@@H]2CCO[C@H]2C)c([O-])c1 ZINC000160092455 261204539 /nfs/dbraw/zinc/20/45/39/261204539.db2.gz GHGHWMQLYBMLST-RAGYYJGWSA-N -1 3 263.337 2.777 20 30 CFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(F)cc1 ZINC000491221360 261376837 /nfs/dbraw/zinc/37/68/37/261376837.db2.gz VYYQKBPHQYNRNP-GFCCVEGCSA-N -1 3 267.250 2.828 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C ZINC000195320494 262249759 /nfs/dbraw/zinc/24/97/59/262249759.db2.gz DKQFJFPPWROQLJ-ZDUSSCGKSA-N -1 3 281.306 2.536 20 30 CFEDHM N#CC(=C([O-])c1ccc2ncccc2c1)c1ccncn1 ZINC000354473600 262262484 /nfs/dbraw/zinc/26/24/84/262262484.db2.gz VUMSURFBNUFTMI-CYBMUJFWSA-N -1 3 274.283 2.515 20 30 CFEDHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@]12CCOC2 ZINC000329739605 262373558 /nfs/dbraw/zinc/37/35/58/262373558.db2.gz NMVVRGYDYMLESS-ZANVPECISA-N -1 3 251.257 2.546 20 30 CFEDHM Cc1ccc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c(F)c1 ZINC000272489020 263005354 /nfs/dbraw/zinc/00/53/54/263005354.db2.gz UHLHHIROYCZLPQ-AWEZNQCLSA-N -1 3 298.383 2.741 20 30 CFEDHM CCO[C@@H]1C[C@@H](/N=C/c2ccccc2[O-])[C@]12CCCO2 ZINC000273509892 263017737 /nfs/dbraw/zinc/01/77/37/263017737.db2.gz NPYVCICTBDYZFH-MJHCYGQOSA-N -1 3 275.348 2.538 20 30 CFEDHM Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c([O-])c1O ZINC000277396238 263041091 /nfs/dbraw/zinc/04/10/91/263041091.db2.gz AZZUNISQMQXELK-LBPRGKRZSA-N -1 3 288.347 2.561 20 30 CFEDHM COc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1[O-] ZINC000277575985 263042197 /nfs/dbraw/zinc/04/21/97/263042197.db2.gz RAQAGWLCZFBKGJ-CQSZACIVSA-N -1 3 288.347 2.555 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/CCC1(O)CCC1 ZINC000284138216 263085906 /nfs/dbraw/zinc/08/59/06/263085906.db2.gz YNJRXFUWBVUZJN-OQLLNIDSSA-N -1 3 298.180 2.879 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000293257316 263138879 /nfs/dbraw/zinc/13/88/79/263138879.db2.gz FRKDQRZKQALSDF-LLVKDONJSA-N -1 3 256.296 2.786 20 30 CFEDHM CCc1ccc([C@H](C#N)[N-]C(=O)C(C)(F)F)cc1 ZINC000293989873 263153851 /nfs/dbraw/zinc/15/38/51/263153851.db2.gz LOQGFYVPGYJICA-NSHDSACASA-N -1 3 252.264 2.585 20 30 CFEDHM Cc1ccccc1C[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000298773423 263225632 /nfs/dbraw/zinc/22/56/32/263225632.db2.gz JGWOWMDEMCNZPP-BUESGFEBSA-N -1 3 298.386 2.946 20 30 CFEDHM C=CCOc1cccnc1C([O-])=C(C#N)c1ccccn1 ZINC000341506959 263340234 /nfs/dbraw/zinc/34/02/34/263340234.db2.gz NRTGOGRHHURMIP-GFCCVEGCSA-N -1 3 279.299 2.531 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NC(C)(C)C(C)(C)CO)c1 ZINC000330825853 264048621 /nfs/dbraw/zinc/04/86/21/264048621.db2.gz QIQFSRLUSXSZHD-UHFFFAOYSA-N -1 3 265.353 2.802 20 30 CFEDHM CCc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000331233585 264173596 /nfs/dbraw/zinc/17/35/96/264173596.db2.gz JYIDBBAIKBAWTG-CYBMUJFWSA-N -1 3 265.353 2.666 20 30 CFEDHM CC[C@](C)(CO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331232826 264173850 /nfs/dbraw/zinc/17/38/50/264173850.db2.gz JEXGMJTXAQMNBP-MRXNPFEDSA-N -1 3 293.363 2.571 20 30 CFEDHM COc1ccc(C(=O)NC2CCC(C(N)=O)CC2)c([O-])c1 ZINC000331245182 264178854 /nfs/dbraw/zinc/17/88/54/264178854.db2.gz SZNKYXSZIYGFGD-UHFFFAOYSA-N -1 3 292.335 2.799 20 30 CFEDHM CC(C)(CCO)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331250941 264180806 /nfs/dbraw/zinc/18/08/06/264180806.db2.gz XBQAESUEWQQOBC-UHFFFAOYSA-N -1 3 293.363 2.571 20 30 CFEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1[O-] ZINC000331347464 264206006 /nfs/dbraw/zinc/20/60/06/264206006.db2.gz MLVJTMANMREZAC-DGCLKSJQSA-N -1 3 272.304 2.592 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCO[C@H](C)C2)cc1[O-] ZINC000331351365 264206616 /nfs/dbraw/zinc/20/66/16/264206616.db2.gz ODFOOXOGGUIWHF-ZYHUDNBSSA-N -1 3 291.347 2.715 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@H]2CCCS2)cc1[O-] ZINC000331353574 264207698 /nfs/dbraw/zinc/20/76/98/264207698.db2.gz PAZPHYUXGHCKRU-LLVKDONJSA-N -1 3 279.361 2.795 20 30 CFEDHM N#CC1(C(=O)Nc2cccc([O-])c2F)CCCCC1 ZINC000129319191 264316711 /nfs/dbraw/zinc/31/67/11/264316711.db2.gz RBQCYKWDRXPIKX-UHFFFAOYSA-N -1 3 262.284 2.944 20 30 CFEDHM C=CCN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000426071351 264903173 /nfs/dbraw/zinc/90/31/73/264903173.db2.gz SDWHGWPQSLSKLL-UHFFFAOYSA-N -1 3 298.346 2.807 20 30 CFEDHM C[C@@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094062293 265213399 /nfs/dbraw/zinc/21/33/99/265213399.db2.gz KCJIMOWAYOEPQA-LBPRGKRZSA-N -1 3 280.327 2.625 20 30 CFEDHM N#CCC1(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000356347643 266098794 /nfs/dbraw/zinc/09/87/94/266098794.db2.gz RHVQNPQBCLMOHX-UHFFFAOYSA-N -1 3 280.327 2.969 20 30 CFEDHM N#Cc1cccc(CC(=O)Nc2cc(F)ccc2[O-])c1 ZINC000530919555 268277654 /nfs/dbraw/zinc/27/76/54/268277654.db2.gz SCPQAANFZZROOK-UHFFFAOYSA-N -1 3 270.263 2.584 20 30 CFEDHM COc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1[O-] ZINC000123844684 280635837 /nfs/dbraw/zinc/63/58/37/280635837.db2.gz HLJSXZRTTKPQHI-UHFFFAOYSA-N -1 3 296.326 2.545 20 30 CFEDHM N#Cc1cccc(/C=C\C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000255766407 281106977 /nfs/dbraw/zinc/10/69/77/281106977.db2.gz FRAFJBUKPVGCRH-ALCCZGGFSA-N -1 3 296.301 2.733 20 30 CFEDHM CCCc1nc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000338625732 327986685 /nfs/dbraw/zinc/98/66/85/327986685.db2.gz KTYXUJPTPISSSE-JTQLQIEISA-N -1 3 255.277 2.512 20 30 CFEDHM CCc1c([N-]C(=O)[C@@]2(C#N)C[C@H]2C)onc1C(F)(F)F ZINC000563360063 328056296 /nfs/dbraw/zinc/05/62/96/328056296.db2.gz XUUIPKOMEXKUAM-KSBSHMNSSA-N -1 3 287.241 2.744 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000571611762 328137383 /nfs/dbraw/zinc/13/73/83/328137383.db2.gz KKDQPPHOVXEJLB-PWSUYJOCSA-N -1 3 281.739 2.884 20 30 CFEDHM N#CC1(c2nc(-c3ccc([O-])cc3)no2)CCCC1 ZINC000267072685 328172095 /nfs/dbraw/zinc/17/20/95/328172095.db2.gz IVSOCPTUQGWSRX-UHFFFAOYSA-N -1 3 255.277 2.778 20 30 CFEDHM N#Cc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1F ZINC000191181827 324046203 /nfs/dbraw/zinc/04/62/03/324046203.db2.gz CGUQOAXMVKDUNQ-LJQANCHMSA-N -1 3 275.304 2.711 20 30 CFEDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000388037368 324499666 /nfs/dbraw/zinc/49/96/66/324499666.db2.gz MSNQVIUEHQDXIV-MNOVXSKESA-N -1 3 298.795 2.536 20 30 CFEDHM CCCCOc1ccc(C(=O)N[C@H](C)CC#N)c([O-])c1 ZINC000190229876 328489361 /nfs/dbraw/zinc/48/93/61/328489361.db2.gz KUHQKZGCMJNVBS-LLVKDONJSA-N -1 3 276.336 2.603 20 30 CFEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2ccccc2c1=O ZINC000063683319 329391537 /nfs/dbraw/zinc/39/15/37/329391537.db2.gz JBZDTTKPYJYPNO-UHFFFAOYSA-N -1 3 270.332 2.566 20 30 CFEDHM CC[C@](C)(C#N)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528332420 330319226 /nfs/dbraw/zinc/31/92/26/330319226.db2.gz ZNTNBJRKJAFNPN-GFCCVEGCSA-N -1 3 297.152 2.577 20 30 CFEDHM CCC[C@H](C#N)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528330026 330319097 /nfs/dbraw/zinc/31/90/97/330319097.db2.gz SFUKUESSTJWORQ-SNVBAGLBSA-N -1 3 297.152 2.577 20 30 CFEDHM CCc1cccc(C(=O)N(CC)C[C@@H](C)C#N)c1[O-] ZINC000119018095 330368751 /nfs/dbraw/zinc/36/87/51/330368751.db2.gz WAVSCUOVMJARGD-NSHDSACASA-N -1 3 260.337 2.576 20 30 CFEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c([O-])c1 ZINC000152193403 330630450 /nfs/dbraw/zinc/63/04/50/330630450.db2.gz GMQYYODQRJINQA-MLGOLLRUSA-N -1 3 272.348 2.903 20 30 CFEDHM CCc1ncsc1C([O-])=C(C#N)c1ccccn1 ZINC000160141426 330859761 /nfs/dbraw/zinc/85/97/61/330859761.db2.gz ZHLGBFHNTZXJJO-VIFPVBQESA-N -1 3 257.318 2.591 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1 ZINC000450982406 331010090 /nfs/dbraw/zinc/01/00/90/331010090.db2.gz CDKZETSHJLRDIZ-GFCCVEGCSA-N -1 3 298.433 2.807 20 30 CFEDHM O=C([N-]CC(F)(F)C(F)F)C1(C(F)(F)F)CCC1 ZINC000451146875 331017489 /nfs/dbraw/zinc/01/74/89/331017489.db2.gz NIURKJKUGLUKQW-UHFFFAOYSA-N -1 3 281.171 2.736 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000451814360 331043574 /nfs/dbraw/zinc/04/35/74/331043574.db2.gz TXCOHUYDKIKUPO-UHFFFAOYSA-N -1 3 291.775 2.970 20 30 CFEDHM C=CCC(C)(C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452137378 331055603 /nfs/dbraw/zinc/05/56/03/331055603.db2.gz DKIWIDOBSQRMEM-UHFFFAOYSA-N -1 3 265.328 2.792 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1cccc([O-])c1Br ZINC000459337233 331276818 /nfs/dbraw/zinc/27/68/18/331276818.db2.gz KRDJNLGYVIQIIP-VIFPVBQESA-N -1 3 283.169 2.889 20 30 CFEDHM CCc1cc(C(=O)NCC#Cc2cccc(F)c2)ccc1[O-] ZINC000488583709 332018979 /nfs/dbraw/zinc/01/89/79/332018979.db2.gz ZLPWTBFFENBJDZ-UHFFFAOYSA-N -1 3 297.329 2.875 20 30 CFEDHM C=CCn1cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000488728540 332022829 /nfs/dbraw/zinc/02/28/29/332022829.db2.gz CNBFZRCMBJJNBR-UHFFFAOYSA-N -1 3 260.268 2.771 20 30 CFEDHM C=C(CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000488901075 332032640 /nfs/dbraw/zinc/03/26/40/332032640.db2.gz RQLKFGVYKQWUOP-UHFFFAOYSA-N -1 3 253.301 2.835 20 30 CFEDHM C#C[C@H](CC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000490715108 332107619 /nfs/dbraw/zinc/10/76/19/332107619.db2.gz UHYIKNDAYBBDBZ-MRVPVSSYSA-N -1 3 271.238 2.553 20 30 CFEDHM C#CC[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492523731 332401302 /nfs/dbraw/zinc/40/13/02/332401302.db2.gz XVWYFTDJHRDAQY-IBSYWUHOSA-N -1 3 292.338 2.681 20 30 CFEDHM CCOC(=O)N1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000184533970 333129468 /nfs/dbraw/zinc/12/94/68/333129468.db2.gz RATCMPLSRDQCAS-WIJRQFRKSA-N -1 3 296.754 2.695 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530144819 333525543 /nfs/dbraw/zinc/52/55/43/333525543.db2.gz KWKRGVHJCUSIKU-NSHDSACASA-N -1 3 298.795 2.873 20 30 CFEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2)c1ccncn1 ZINC000546858909 334051974 /nfs/dbraw/zinc/05/19/74/334051974.db2.gz RGGRIAVSRFMWAS-OAHLLOKOSA-N -1 3 277.327 2.845 20 30 CFEDHM C[C@@](C#N)(NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000550351451 334220777 /nfs/dbraw/zinc/22/07/77/334220777.db2.gz KWCBGPQLSLSLGJ-INIZCTEOSA-N -1 3 272.348 2.985 20 30 CFEDHM C=CCOc1ccccc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000553320398 334377521 /nfs/dbraw/zinc/37/75/21/334377521.db2.gz CRDGIQVGWMVNOF-UHFFFAOYSA-N -1 3 293.326 2.573 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000152723021 334510113 /nfs/dbraw/zinc/51/01/13/334510113.db2.gz AKZAHMFUFWZTTM-SSDOTTSWSA-N -1 3 280.176 2.846 20 30 CFEDHM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000568203673 334804006 /nfs/dbraw/zinc/80/40/06/334804006.db2.gz QHBZREFOZHHWKW-LBPRGKRZSA-N -1 3 268.320 2.658 20 30 CFEDHM N#CC1(CNCc2cccc([O-])c2Br)CC1 ZINC000581176757 336019758 /nfs/dbraw/zinc/01/97/58/336019758.db2.gz QGKOHLZPBQRXFB-UHFFFAOYSA-N -1 3 281.153 2.548 20 30 CFEDHM COc1ccc(C[S@](=O)c2ccc([O-])cc2)cc1C#N ZINC000160656965 533809843 /nfs/dbraw/zinc/80/98/43/533809843.db2.gz UOBHSQSJHAHAMQ-HXUWFJFHSA-N -1 3 287.340 2.580 20 30 CFEDHM Cc1n[nH]cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000347847653 534850233 /nfs/dbraw/zinc/85/02/33/534850233.db2.gz GTTVTQNYTRMBAJ-CYBMUJFWSA-N -1 3 276.299 2.756 20 30 CFEDHM C=CCN(CCc1ccccc1)Cc1nc(CC)cc(=O)[n-]1 ZINC000344369360 526314717 /nfs/dbraw/zinc/31/47/17/526314717.db2.gz PQBBLRZLKXJJRQ-UHFFFAOYSA-N -1 3 297.402 2.975 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCCC2)c(Cl)c1 ZINC000169275286 526682806 /nfs/dbraw/zinc/68/28/06/526682806.db2.gz WVOHISJKVUNYRH-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM N#Cc1ccncc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000336443705 526763893 /nfs/dbraw/zinc/76/38/93/526763893.db2.gz PDHOHDJQRSNASK-UHFFFAOYSA-N -1 3 277.205 2.623 20 30 CFEDHM O=C1Nc2ccccc2C1=N[N-]c1ncccc1Cl ZINC000054884355 527090687 /nfs/dbraw/zinc/09/06/87/527090687.db2.gz RZDOCNLKCLFCNE-UHFFFAOYSA-N -1 3 272.695 2.503 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442850210 527421153 /nfs/dbraw/zinc/42/11/53/527421153.db2.gz VNNBESZVVRYQSJ-UHFFFAOYSA-N -1 3 251.307 2.751 20 30 CFEDHM CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169287254 527688753 /nfs/dbraw/zinc/68/87/53/527688753.db2.gz ITNDQINFWALOIR-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332696321 528703172 /nfs/dbraw/zinc/70/31/72/528703172.db2.gz SLPSIGSYMDWBET-GFCCVEGCSA-N -1 3 286.375 2.893 20 30 CFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCC1CC1 ZINC000744283622 574064296 /nfs/dbraw/zinc/06/42/96/574064296.db2.gz YVXBTRHPJWFRLM-UHFFFAOYSA-N -1 3 288.347 2.552 20 30 CFEDHM C[C@@H](C#N)CN(Cn1[n-]c(C(C)(C)C)nc1=S)C1CC1 ZINC000753987710 574084818 /nfs/dbraw/zinc/08/48/18/574084818.db2.gz KSCXIAZWCOUZKI-JTQLQIEISA-N -1 3 293.440 2.820 20 30 CFEDHM C#C[C@@H](CC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000754368634 574101498 /nfs/dbraw/zinc/10/14/98/574101498.db2.gz MZUICISHZCEOQQ-NSHDSACASA-N -1 3 271.694 2.960 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cc([N+](=O)[O-])ccc2C)n1 ZINC000728781433 574108540 /nfs/dbraw/zinc/10/85/40/574108540.db2.gz VCHVZJOJAKCQEV-UHFFFAOYSA-N -1 3 286.291 2.758 20 30 CFEDHM CC(=NNc1ccc(F)cn1)c1cc(F)ccc1[O-] ZINC000731321894 574116527 /nfs/dbraw/zinc/11/65/27/574116527.db2.gz UHXKWYKTLUCMGI-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM COc1ccc([C@@H](C)/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000745623643 574120717 /nfs/dbraw/zinc/12/07/17/574120717.db2.gz AEQSOMQPCQDWPJ-IYPWXLATSA-N -1 3 287.315 2.992 20 30 CFEDHM C=CCN(Cc1ccccc1F)Cc1nc(C)cc(=O)[n-]1 ZINC000754799544 574121644 /nfs/dbraw/zinc/12/16/44/574121644.db2.gz SCVJXQOQWGZRPT-UHFFFAOYSA-N -1 3 287.338 2.818 20 30 CFEDHM O=[N+]([O-])c1ccc(OCC/N=C/c2ccccc2[O-])cc1 ZINC000731563420 574123293 /nfs/dbraw/zinc/12/32/93/574123293.db2.gz PWHLDSGVKFHTCF-LFIBNONCSA-N -1 3 286.287 2.798 20 30 CFEDHM Cc1nn(C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000755585558 574169681 /nfs/dbraw/zinc/16/96/81/574169681.db2.gz VKYWZDDQPGCQMP-OITNDJBGSA-N -1 3 286.306 2.957 20 30 CFEDHM CCOc1ccc(/C=N\CCC(=O)OC(C)C)c([O-])c1 ZINC000732770285 574171145 /nfs/dbraw/zinc/17/11/45/574171145.db2.gz ZSMPKWLPQMLSCU-YBEGLDIGSA-N -1 3 279.336 2.552 20 30 CFEDHM COc1ccc(CNN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755654269 574175548 /nfs/dbraw/zinc/17/55/48/574175548.db2.gz HPTNHDFWFZWDMU-UHFFFAOYSA-N -1 3 274.295 2.664 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C/C=C\c2ccccc2)c1[O-] ZINC000732925981 574178591 /nfs/dbraw/zinc/17/85/91/574178591.db2.gz IOARQBKILITOBQ-WBZVOSOQSA-N -1 3 282.343 2.720 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC000733080997 574187095 /nfs/dbraw/zinc/18/70/95/574187095.db2.gz JJFOAKRFWHXXFI-UNPQNOINSA-N -1 3 276.380 2.832 20 30 CFEDHM C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@@H](C)C1 ZINC000747754330 574210970 /nfs/dbraw/zinc/21/09/70/574210970.db2.gz VOTJVXAIYZVJPH-STQMWFEESA-N -1 3 294.420 2.918 20 30 CFEDHM O=C([O-])CCCN1CCC(=NOCc2ccccc2)CC1 ZINC000739672500 574222761 /nfs/dbraw/zinc/22/27/61/574222761.db2.gz LEBZZMWZDBQXHH-UHFFFAOYSA-N -1 3 290.363 2.520 20 30 CFEDHM CC(=NNc1ccncc1Cl)c1cc(F)ccc1[O-] ZINC000756842593 574267245 /nfs/dbraw/zinc/26/72/45/574267245.db2.gz WAZZEVFONKXARN-UHFFFAOYSA-N -1 3 279.702 2.838 20 30 CFEDHM CC[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1c(C)noc1C ZINC000756844868 574267611 /nfs/dbraw/zinc/26/76/11/574267611.db2.gz AGGGKXMDSQQUSV-CRZGJZTJSA-N -1 3 290.319 2.978 20 30 CFEDHM C#CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000756846562 574268047 /nfs/dbraw/zinc/26/80/47/574268047.db2.gz KQERXVKMIJICTP-MLHZQLSASA-N -1 3 294.354 2.771 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNc1cc(F)c(F)cc1F ZINC000734302803 574280909 /nfs/dbraw/zinc/28/09/09/574280909.db2.gz PKGXDCGDSMEPRS-UHFFFAOYSA-N -1 3 282.221 2.961 20 30 CFEDHM Cc1ccc(N2CC[C@@H](/N=C\c3ccccc3[O-])C2=O)cc1 ZINC000741465714 574291752 /nfs/dbraw/zinc/29/17/52/574291752.db2.gz XTXVHOPONGPMEP-BKAYVGFPSA-N -1 3 294.354 2.925 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCCc2nc(C)ncc21 ZINC000734753295 574301366 /nfs/dbraw/zinc/30/13/66/574301366.db2.gz RCMXRUGSJHKFFM-SAGYFLTASA-N -1 3 297.358 2.996 20 30 CFEDHM CC(=N[N-]c1ncccn1)c1c(Cl)nc2sccn21 ZINC000741848550 574306590 /nfs/dbraw/zinc/30/65/90/574306590.db2.gz VKUCEZAWCYTVAN-UHFFFAOYSA-N -1 3 292.755 2.675 20 30 CFEDHM COc1cccc([O-])c1/C=N/C1CCSCC1 ZINC000749748769 574306825 /nfs/dbraw/zinc/30/68/25/574306825.db2.gz NDGQMVDXPVAOQI-NTEUORMPSA-N -1 3 251.351 2.715 20 30 CFEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)c1cccc(C#N)c1 ZINC000743501928 574307422 /nfs/dbraw/zinc/30/74/22/574307422.db2.gz SXYIMUPTAOVGCP-OAOMGELKSA-N -1 3 282.299 2.855 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000735206496 574316470 /nfs/dbraw/zinc/31/64/70/574316470.db2.gz LDHBVHRAMUAOJL-DJTUGOFGSA-N -1 3 286.331 2.699 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000735209643 574316995 /nfs/dbraw/zinc/31/69/95/574316995.db2.gz ZEVIQQJGQHRNET-VZUFXWRPSA-N -1 3 270.332 2.999 20 30 CFEDHM C=CC1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000735409735 574322756 /nfs/dbraw/zinc/32/27/56/574322756.db2.gz JROGEOHYSGHGGS-UHFFFAOYSA-N -1 3 291.305 2.547 20 30 CFEDHM C=CC1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000735409735 574322758 /nfs/dbraw/zinc/32/27/58/574322758.db2.gz JROGEOHYSGHGGS-UHFFFAOYSA-N -1 3 291.305 2.547 20 30 CFEDHM COc1cccc(NN=Cc2cccc(O)c2[O-])c1 ZINC000725853958 574332463 /nfs/dbraw/zinc/33/24/63/574332463.db2.gz YHZOUGAYWKPVIU-UHFFFAOYSA-N -1 3 258.277 2.552 20 30 CFEDHM [O-]c1ccc2ccccc2c1CN=Nc1cccnn1 ZINC000735974392 574345841 /nfs/dbraw/zinc/34/58/41/574345841.db2.gz CUDXRWAVDPPPFJ-UHFFFAOYSA-N -1 3 264.288 2.781 20 30 CFEDHM COc1ccc(C(C)=NO[C@H]2CCCCO2)c([O-])c1 ZINC000755824074 574350801 /nfs/dbraw/zinc/35/08/01/574350801.db2.gz UYTCZFZRGIAOMY-AWEZNQCLSA-N -1 3 265.309 2.668 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ncccc2C)c1 ZINC000750685030 574351004 /nfs/dbraw/zinc/35/10/04/574351004.db2.gz ZECOQSFKLHAUQV-AWEZNQCLSA-N -1 3 293.326 2.660 20 30 CFEDHM CCOc1ccc(/C=N/[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000753637972 574407398 /nfs/dbraw/zinc/40/73/98/574407398.db2.gz GVAZFKMQBVHPOZ-ZAPZDABDSA-N -1 3 263.337 2.513 20 30 CFEDHM O=C([C@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC000900091810 620636943 /nfs/dbraw/zinc/63/69/43/620636943.db2.gz OJGROIKOFRPBTA-AWEZNQCLSA-N -1 3 271.316 2.594 20 30 CFEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000900095384 620637125 /nfs/dbraw/zinc/63/71/25/620637125.db2.gz AYRURDZQWUHLBE-UHFFFAOYSA-N -1 3 260.268 2.561 20 30 CFEDHM O=C(c1ccc[nH]c1=S)N([O-])Cc1ccc(F)cc1 ZINC000900095397 620637175 /nfs/dbraw/zinc/63/71/75/620637175.db2.gz BQSDNPJOGLRBNT-UHFFFAOYSA-N -1 3 278.308 2.541 20 30 CFEDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860209 601316752 /nfs/dbraw/zinc/31/67/52/601316752.db2.gz ONCKSXBEXAEWNB-INIZCTEOSA-N -1 3 296.326 2.522 20 30 CFEDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860209 601316754 /nfs/dbraw/zinc/31/67/54/601316754.db2.gz ONCKSXBEXAEWNB-INIZCTEOSA-N -1 3 296.326 2.522 20 30 CFEDHM CCN(CC#Cc1ccc(C(F)(F)F)cc1)CCC(=O)[O-] ZINC000829618814 601414349 /nfs/dbraw/zinc/41/43/49/601414349.db2.gz IZTVEINFTSVPDN-UHFFFAOYSA-N -1 3 299.292 2.854 20 30 CFEDHM C[C@H](CN(C)CC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000827443030 601419650 /nfs/dbraw/zinc/41/96/50/601419650.db2.gz VWIQKHKWUQYTNM-LLVKDONJSA-N -1 3 299.292 2.709 20 30 CFEDHM C=C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1Br ZINC000823882828 608051181 /nfs/dbraw/zinc/05/11/81/608051181.db2.gz DRCLPGKTMOPZFH-SSDOTTSWSA-N -1 3 294.156 2.616 20 30 CFEDHM CCC(CC)CN(CCC#N)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000826571688 603568884 /nfs/dbraw/zinc/56/88/84/603568884.db2.gz LLFJIYKKZUGKHH-AWEZNQCLSA-N -1 3 281.400 2.638 20 30 CFEDHM C/C(=C/CN1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000833383493 604491116 /nfs/dbraw/zinc/49/11/16/604491116.db2.gz NZZHNMUGSZWRLL-MLPAPPSSSA-N -1 3 282.343 2.678 20 30 CFEDHM C=CCN(CC=C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000833374227 604514632 /nfs/dbraw/zinc/51/46/32/604514632.db2.gz CXLMLGVHRYLGDS-UHFFFAOYSA-N -1 3 289.375 2.941 20 30 CFEDHM C#CCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823846024 607708013 /nfs/dbraw/zinc/70/80/13/607708013.db2.gz XQYATKXWONRLCD-UHFFFAOYSA-N -1 3 290.326 2.936 20 30 CFEDHM C#CCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823846024 607708015 /nfs/dbraw/zinc/70/80/15/607708015.db2.gz XQYATKXWONRLCD-UHFFFAOYSA-N -1 3 290.326 2.936 20 30 CFEDHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(CC#N)CC1 ZINC000833547523 605138673 /nfs/dbraw/zinc/13/86/73/605138673.db2.gz UQCQDENJOBPNNI-JTQLQIEISA-N -1 3 262.309 2.664 20 30 CFEDHM C[C@@H](NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820437957 606370202 /nfs/dbraw/zinc/37/02/02/606370202.db2.gz FBIPTYBZQLPGTE-SNVBAGLBSA-N -1 3 298.375 2.613 20 30 CFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2ccccc21 ZINC000823503732 606388194 /nfs/dbraw/zinc/38/81/94/606388194.db2.gz HXWQGJFAZPLCAK-NTMALXAHSA-N -1 3 294.339 2.751 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821476286 606469967 /nfs/dbraw/zinc/46/99/67/606469967.db2.gz LNRLYBOXKIXYIZ-VURMDHGXSA-N -1 3 294.314 2.918 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821476286 606469968 /nfs/dbraw/zinc/46/99/68/606469968.db2.gz LNRLYBOXKIXYIZ-VURMDHGXSA-N -1 3 294.314 2.918 20 30 CFEDHM C#Cc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819710178 606926973 /nfs/dbraw/zinc/92/69/73/606926973.db2.gz YOAVVLFYXYVXFX-UHFFFAOYSA-N -1 3 293.305 2.599 20 30 CFEDHM C#Cc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819710178 606926974 /nfs/dbraw/zinc/92/69/74/606926974.db2.gz YOAVVLFYXYVXFX-UHFFFAOYSA-N -1 3 293.305 2.599 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000822379936 607252167 /nfs/dbraw/zinc/25/21/67/607252167.db2.gz WGWISDJBFAOTAE-WAYWQWQTSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000822379936 607252168 /nfs/dbraw/zinc/25/21/68/607252168.db2.gz WGWISDJBFAOTAE-WAYWQWQTSA-N -1 3 280.287 2.664 20 30 CFEDHM C=C(C)CSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823878091 608321503 /nfs/dbraw/zinc/32/15/03/608321503.db2.gz OGLPGOHZPDXDNJ-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C=C(C)CSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823878091 608321505 /nfs/dbraw/zinc/32/15/05/608321505.db2.gz OGLPGOHZPDXDNJ-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C#CCCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841008 608330736 /nfs/dbraw/zinc/33/07/36/608330736.db2.gz HNAFJLNNAHJEGL-LBPRGKRZSA-N -1 3 298.346 2.665 20 30 CFEDHM C#CCCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841008 608330738 /nfs/dbraw/zinc/33/07/38/608330738.db2.gz HNAFJLNNAHJEGL-LBPRGKRZSA-N -1 3 298.346 2.665 20 30 CFEDHM C(=NOC1CCCC1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823867946 608391163 /nfs/dbraw/zinc/39/11/63/608391163.db2.gz KMPNSKROGGSLHZ-UHFFFAOYSA-N -1 3 296.334 2.641 20 30 CFEDHM C(=NOC1CCCC1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823867946 608391166 /nfs/dbraw/zinc/39/11/66/608391166.db2.gz KMPNSKROGGSLHZ-UHFFFAOYSA-N -1 3 296.334 2.641 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@]12C[C@H]1COC21CCC1 ZINC000900677720 620701048 /nfs/dbraw/zinc/70/10/48/620701048.db2.gz CQXCRJCOIQZRMP-LRDDRELGSA-N -1 3 291.322 2.503 20 30 CFEDHM Cc1ccc(F)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826289929 609304527 /nfs/dbraw/zinc/30/45/27/609304527.db2.gz RUZACGNFGRNKHS-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C[C@@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000824899303 609468359 /nfs/dbraw/zinc/46/83/59/609468359.db2.gz IWRGWIJXBGQZFR-VXGBXAGGSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000824899303 609468363 /nfs/dbraw/zinc/46/83/63/609468363.db2.gz IWRGWIJXBGQZFR-VXGBXAGGSA-N -1 3 298.394 2.768 20 30 CFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000234028123 617792718 /nfs/dbraw/zinc/79/27/18/617792718.db2.gz ZMPLVCUKLPDNEY-SECBINFHSA-N -1 3 292.187 2.684 20 30 CFEDHM CC(C)C(=O)NCCC/N=C\c1cc(Cl)ccc1[O-] ZINC000255077443 617949103 /nfs/dbraw/zinc/94/91/03/617949103.db2.gz XVTINDOPLUNRNI-SXGWCWSVSA-N -1 3 282.771 2.627 20 30 CFEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)c(C)c1 ZINC000255084512 617954304 /nfs/dbraw/zinc/95/43/04/617954304.db2.gz ZIGAEHOEGZDBSP-UHFFFAOYSA-N -1 3 273.288 2.871 20 30 CFEDHM C=CC[C@@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000890551383 617643559 /nfs/dbraw/zinc/64/35/59/617643559.db2.gz BNVRPIAQLOLGGB-SECBINFHSA-N -1 3 251.713 2.836 20 30 CFEDHM C#CCOc1ccccc1NC(=O)c1ccc(C)cc1[O-] ZINC000187233357 617680683 /nfs/dbraw/zinc/68/06/83/617680683.db2.gz QNFGJWUUERHJQT-UHFFFAOYSA-N -1 3 281.311 2.965 20 30 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CFEDHM CC[C@@H](CN1CCOCC1)/N=C/c1cc(Cl)ccc1[O-] ZINC000905001559 621679760 /nfs/dbraw/zinc/67/97/60/621679760.db2.gz BBRALQVGJFFELT-FBJMNJBLSA-N -1 3 296.798 2.575 20 30 CFEDHM N#C[C@H]1CCCN(Cc2c([O-])ccc3ccncc32)C1 ZINC000905721397 621832591 /nfs/dbraw/zinc/83/25/91/621832591.db2.gz QTDBCISUBWLAHG-GFCCVEGCSA-N -1 3 267.332 2.676 20 30 CFEDHM CC(C)Cc1nsc([N-]C(=O)c2ccsc2C#N)n1 ZINC000906030365 621919640 /nfs/dbraw/zinc/91/96/40/621919640.db2.gz CQRAPUGWJMAKAL-UHFFFAOYSA-N -1 3 292.389 2.922 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-]C2(C#N)CCCC2)c1 ZINC000906579465 622013778 /nfs/dbraw/zinc/01/37/78/622013778.db2.gz JFSZROPLOBCUBL-UHFFFAOYSA-N -1 3 294.301 2.740 20 30 CFEDHM N#CC1(CCCCOC(=O)c2cccc3nn[n-]c32)CCC1 ZINC000909206104 622325874 /nfs/dbraw/zinc/32/58/74/622325874.db2.gz OEHCXELBMRDFJP-UHFFFAOYSA-N -1 3 298.346 2.979 20 30 CFEDHM N#CC1(CCCCOC(=O)c2cccc3[n-]nnc32)CCC1 ZINC000909206104 622325877 /nfs/dbraw/zinc/32/58/77/622325877.db2.gz OEHCXELBMRDFJP-UHFFFAOYSA-N -1 3 298.346 2.979 20 30 CFEDHM N#CC1(CCCCOC(=O)c2cccc3n[n-]nc32)CCC1 ZINC000909206104 622325880 /nfs/dbraw/zinc/32/58/80/622325880.db2.gz OEHCXELBMRDFJP-UHFFFAOYSA-N -1 3 298.346 2.979 20 30 CFEDHM C=C[C@H](CC)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820176029 622621419 /nfs/dbraw/zinc/62/14/19/622621419.db2.gz WDYRPRPTTNJXCV-SECBINFHSA-N -1 3 259.309 2.809 20 30 CFEDHM C=C[C@H](C)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000820770325 622753685 /nfs/dbraw/zinc/75/36/85/622753685.db2.gz QQOQPTWUDXFPSV-ZETCQYMHSA-N -1 3 261.218 2.747 20 30 CFEDHM C=CCO[N-]C(=O)Cc1ccc(SC2CC2)cc1 ZINC000821892017 623002438 /nfs/dbraw/zinc/00/24/38/623002438.db2.gz UXIAGYMYLSIMNN-UHFFFAOYSA-N -1 3 263.362 2.717 20 30 CFEDHM C#CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000173787592 623368782 /nfs/dbraw/zinc/36/87/82/623368782.db2.gz DOBQSNLJYNIRPF-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM CC(=NNCCC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000823953582 623424593 /nfs/dbraw/zinc/42/45/93/623424593.db2.gz HWMZRFSEXDKBNR-UHFFFAOYSA-N -1 3 286.383 2.617 20 30 CFEDHM CC(=NNCCC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000823953582 623424598 /nfs/dbraw/zinc/42/45/98/623424598.db2.gz HWMZRFSEXDKBNR-UHFFFAOYSA-N -1 3 286.383 2.617 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000824028321 623435678 /nfs/dbraw/zinc/43/56/78/623435678.db2.gz DZOSGHPKTGVKHJ-NXEZZACHSA-N -1 3 281.274 2.500 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccnn1C ZINC000913617852 623532041 /nfs/dbraw/zinc/53/20/41/623532041.db2.gz WKMWPGBYFFEVKO-RYGSOJJJSA-N -1 3 272.279 2.648 20 30 CFEDHM Cc1cc([O-])c(CN(CCC#N)CCC#N)cc1Cl ZINC000825405278 623688281 /nfs/dbraw/zinc/68/82/81/623688281.db2.gz FYIOGYFCKSOUKU-UHFFFAOYSA-N -1 3 277.755 2.983 20 30 CFEDHM C#C[C@@H](NCc1cccc([O-])c1Cl)C1CCOCC1 ZINC000827555431 624029775 /nfs/dbraw/zinc/02/97/75/624029775.db2.gz UALNYPSVYMNJOH-CYBMUJFWSA-N -1 3 279.767 2.564 20 30 CFEDHM CCCCNN=Cc1cc(Br)ccc1[O-] ZINC000915970243 624197292 /nfs/dbraw/zinc/19/72/92/624197292.db2.gz ZWZJJOJPJSMRFF-UHFFFAOYSA-N -1 3 271.158 2.878 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(OC)c1C ZINC000917217794 624324250 /nfs/dbraw/zinc/32/42/50/624324250.db2.gz PDBUYWXKQWFTQL-UHFFFAOYSA-N -1 3 291.376 2.779 20 30 CFEDHM C=CCn1c(SCC(C)(C)CC(F)F)n[n-]c1=O ZINC000917217755 624324425 /nfs/dbraw/zinc/32/44/25/624324425.db2.gz NXOOXVJCDYTTHW-UHFFFAOYSA-N -1 3 277.340 2.943 20 30 CFEDHM Cc1ccc(C=N[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000920383732 624717198 /nfs/dbraw/zinc/71/71/98/624717198.db2.gz ODRNNERURSFCOE-UHFFFAOYSA-N -1 3 294.401 2.510 20 30 CFEDHM Cc1cc(NN=Cc2ccc([O-])c(Cl)c2)nc(C)n1 ZINC000921258095 624831897 /nfs/dbraw/zinc/83/18/97/624831897.db2.gz JUDJTOJTDQMENG-UHFFFAOYSA-N -1 3 276.727 2.898 20 30 CFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000233294908 624931900 /nfs/dbraw/zinc/93/19/00/624931900.db2.gz VQYJGPWIGZYHHQ-VIFPVBQESA-N -1 3 291.825 2.790 20 30 CFEDHM C=CCC1(C(=O)[N-]OCCCC(=O)OC)CCCCC1 ZINC000832156371 625233389 /nfs/dbraw/zinc/23/33/89/625233389.db2.gz HCYWNXOYDTVLEG-UHFFFAOYSA-N -1 3 283.368 2.514 20 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2.963 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCc2ccc(F)cc2C#N)n1 ZINC000763207628 626970527 /nfs/dbraw/zinc/97/05/27/626970527.db2.gz CAOXZIULHDYXML-UHFFFAOYSA-N -1 3 289.335 2.935 20 30 CFEDHM C#CCCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000766899892 627225669 /nfs/dbraw/zinc/22/56/69/627225669.db2.gz GBKRRVIXTAUVPW-UHFFFAOYSA-N -1 3 256.660 2.755 20 30 CFEDHM CCC(=NOC)c1cc(Br)ccc1[O-] ZINC000767490759 627255159 /nfs/dbraw/zinc/25/51/59/627255159.db2.gz LJNVLQKXDZJRBB-UHFFFAOYSA-N -1 3 258.115 2.915 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC(F)(F)C2)c1[O-] ZINC000767686457 627275031 /nfs/dbraw/zinc/27/50/31/627275031.db2.gz CCSFQJUOAZPRFG-MBCCIFHSSA-N -1 3 284.306 2.585 20 30 CFEDHM N#Cc1cc(Cl)nc(N=NCc2ccc([O-])c(F)c2)c1 ZINC000768382307 627339537 /nfs/dbraw/zinc/33/95/37/627339537.db2.gz SNAJNPDVRHIIKQ-UHFFFAOYSA-N -1 3 290.685 2.897 20 30 CFEDHM C#CCCN(Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000768533653 627351080 /nfs/dbraw/zinc/35/10/80/627351080.db2.gz INZCPGQLGJPPSA-UHFFFAOYSA-N -1 3 275.245 2.919 20 30 CFEDHM CCOC(=O)C1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000769719051 627469213 /nfs/dbraw/zinc/46/92/13/627469213.db2.gz ZCDJZXXZBQZYQK-LZYBPNLTSA-N -1 3 281.739 2.808 20 30 CFEDHM Cc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)cc1F ZINC000769727255 627469953 /nfs/dbraw/zinc/46/99/53/627469953.db2.gz DXCPSXYHLANZAL-LSCVHKIXSA-N -1 3 288.322 2.655 20 30 CFEDHM C#C[C@H](C)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000769961011 627491671 /nfs/dbraw/zinc/49/16/71/627491671.db2.gz KPHCJJKLJROCEJ-VIFPVBQESA-N -1 3 265.740 2.702 20 30 CFEDHM Cc1cc(F)cc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000770478834 627524932 /nfs/dbraw/zinc/52/49/32/627524932.db2.gz MEMJHJPPVNCOBR-UHFFFAOYSA-N -1 3 274.295 2.786 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=C2CCSCC2)nc(C)n1 ZINC000772643462 627730298 /nfs/dbraw/zinc/73/02/98/627730298.db2.gz MZGDCMNQTFTVBC-CYBMUJFWSA-N -1 3 287.388 2.723 20 30 CFEDHM C#C[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000775386524 628017930 /nfs/dbraw/zinc/01/79/30/628017930.db2.gz YQDVFHXBUJSMHS-GFCCVEGCSA-N -1 3 281.311 2.936 20 30 CFEDHM C=C(C)CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000775631349 628047688 /nfs/dbraw/zinc/04/76/88/628047688.db2.gz GIEMQYRLTQUDGH-UHFFFAOYSA-N -1 3 297.782 2.987 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc3ccccc3o2)c1 ZINC000776279397 628126149 /nfs/dbraw/zinc/12/61/49/628126149.db2.gz JBPDJSSDDGWGGO-UHFFFAOYSA-N -1 3 294.266 2.762 20 30 CFEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000780251307 628445251 /nfs/dbraw/zinc/44/52/51/628445251.db2.gz UCKMXWJFHAROQC-GFCCVEGCSA-N -1 3 280.343 2.803 20 30 CFEDHM CC(=NNc1ccnc(F)c1)c1ccc([O-])cc1F ZINC000781132536 628524720 /nfs/dbraw/zinc/52/47/20/628524720.db2.gz NVLXTPCCYNUDSV-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM CC(=NNc1ccnc(F)c1)c1ccc([O-])c(F)c1 ZINC000781133999 628525185 /nfs/dbraw/zinc/52/51/85/628525185.db2.gz NQTCOVDMKWVYJR-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(C#N)cc1 ZINC000783622934 628727691 /nfs/dbraw/zinc/72/76/91/628727691.db2.gz AOLYWYWPXGFZPP-SNVBAGLBSA-N -1 3 268.272 2.577 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000783997530 628760487 /nfs/dbraw/zinc/76/04/87/628760487.db2.gz IRQZCAJADQOVIJ-JTQLQIEISA-N -1 3 281.306 2.536 20 30 CFEDHM Cc1noc(C2CC2)c1C([O-])=C(C#N)c1ccccn1 ZINC000784834958 628844408 /nfs/dbraw/zinc/84/44/08/628844408.db2.gz WRQNVRDRLWWSFR-LLVKDONJSA-N -1 3 267.288 2.746 20 30 CFEDHM N#Cc1ccccc1OCCOC(=O)c1cc2occc2[n-]1 ZINC000786030672 628931203 /nfs/dbraw/zinc/93/12/03/628931203.db2.gz VOQGLRUJDMNZEK-UHFFFAOYSA-N -1 3 296.282 2.868 20 30 CFEDHM C[C@@H](CC#N)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788301735 629057118 /nfs/dbraw/zinc/05/71/18/629057118.db2.gz IXWUGMVFPSPOTM-QMMMGPOBSA-N -1 3 260.318 2.639 20 30 CFEDHM CC(=NN[C@@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000788452685 629069480 /nfs/dbraw/zinc/06/94/80/629069480.db2.gz RNFAKOUTCULTMF-CYBMUJFWSA-N -1 3 270.332 2.648 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NN[C@@H](CO)c1ccccc1 ZINC000788462812 629071318 /nfs/dbraw/zinc/07/13/18/629071318.db2.gz ZDTHYIXIQFWANW-AWEZNQCLSA-N -1 3 290.750 2.703 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cocn1 ZINC000790216097 629220143 /nfs/dbraw/zinc/22/01/43/629220143.db2.gz VWEULRJPWNAQET-WDTYERQASA-N -1 3 259.236 2.903 20 30 CFEDHM CC(=NNc1nccn1C)c1ccc([O-])c(Cl)c1 ZINC000790306469 629229522 /nfs/dbraw/zinc/22/95/22/629229522.db2.gz YWRFLNNDWRGOAP-UHFFFAOYSA-N -1 3 264.716 2.615 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCC1(O)CCC1 ZINC000790575361 629249740 /nfs/dbraw/zinc/24/97/40/629249740.db2.gz SSNMENVDPIMXRH-DHDCSXOGSA-N -1 3 253.729 2.770 20 30 CFEDHM Cc1cnn(C)c1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000794697659 629676410 /nfs/dbraw/zinc/67/64/10/629676410.db2.gz LRRZGUDSGXYCGF-ZFZMKPAXSA-N -1 3 286.306 2.957 20 30 CFEDHM Cn1ncc2c1CC/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794937326 629706926 /nfs/dbraw/zinc/70/69/26/629706926.db2.gz HVZVLWMMAKJEMJ-VURMDHGXSA-N -1 3 290.269 2.616 20 30 CFEDHM C=CCNN=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000794992745 629719206 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ZINC000846542912 632732308 /nfs/dbraw/zinc/73/23/08/632732308.db2.gz JCQZMVQKKMPKMF-CYBMUJFWSA-N -1 3 275.348 2.889 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000846543660 632732319 /nfs/dbraw/zinc/73/23/19/632732319.db2.gz ATLPSQZSCPFAQE-NSHDSACASA-N -1 3 258.321 2.641 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000846545104 632732847 /nfs/dbraw/zinc/73/28/47/632732847.db2.gz DXDTULPBLJWWLL-MJEQTWJJSA-N -1 3 271.360 2.903 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc2ccccc2n1 ZINC000846544923 632733192 /nfs/dbraw/zinc/73/31/92/632733192.db2.gz ZMZWRBAQHMMKNH-LBPRGKRZSA-N -1 3 270.332 2.790 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H]1CSc2ccccc2O1 ZINC000846554690 632741051 /nfs/dbraw/zinc/74/10/51/632741051.db2.gz NLSAECMJVOAIJM-MNOVXSKESA-N -1 3 279.361 2.552 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000846555878 632741612 /nfs/dbraw/zinc/74/16/12/632741612.db2.gz VBISOLMFNLFZOU-QMMMGPOBSA-N -1 3 257.692 2.644 20 30 CFEDHM CC[C@H](CC#N)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000846990682 632871497 /nfs/dbraw/zinc/87/14/97/632871497.db2.gz DSVAUCJUUMFRKB-GFCCVEGCSA-N -1 3 264.300 2.516 20 30 CFEDHM CCn1nc(C)c(C/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000818991968 632925046 /nfs/dbraw/zinc/92/50/46/632925046.db2.gz MGMNZPWVZCTZLY-VIZOYTHASA-N -1 3 278.743 2.585 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(F)cc1 ZINC000848245725 633222918 /nfs/dbraw/zinc/22/29/18/633222918.db2.gz NYOMOJAZGIHDKG-LLVKDONJSA-N -1 3 251.301 2.771 20 30 CFEDHM C#CCOc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000108184513 633482293 /nfs/dbraw/zinc/48/22/93/633482293.db2.gz SLKHODKZWOLWBE-UHFFFAOYSA-N -1 3 297.310 2.665 20 30 CFEDHM CCCCCCCNC(=O)NCc1ncccc1[O-] ZINC000858112316 636130331 /nfs/dbraw/zinc/13/03/31/636130331.db2.gz BJHWDPDANMRHTB-UHFFFAOYSA-N -1 3 265.357 2.557 20 30 CFEDHM C=C(Cl)CO[N-]C(=O)CCCc1ccccc1 ZINC000853663667 635066934 /nfs/dbraw/zinc/06/69/34/635066934.db2.gz HZUXZNDWDAPNQK-UHFFFAOYSA-N -1 3 253.729 2.810 20 30 CFEDHM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000854699801 635372478 /nfs/dbraw/zinc/37/24/78/635372478.db2.gz GIBJUYNSOJXHIZ-ZDUSSCGKSA-N -1 3 269.266 2.836 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000856029138 635704469 /nfs/dbraw/zinc/70/44/69/635704469.db2.gz ATYLQEWAVGWFHZ-YPMHNXCESA-N -1 3 263.337 2.960 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c(F)cccc1Cl ZINC000856028408 635704598 /nfs/dbraw/zinc/70/45/98/635704598.db2.gz SJJHQMWAUHZIRQ-UHFFFAOYSA-N -1 3 257.692 2.646 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccccc1C(F)(F)F ZINC000856031170 635706437 /nfs/dbraw/zinc/70/64/37/635706437.db2.gz GDVWBWFYTWFJPJ-UHFFFAOYSA-N -1 3 273.254 2.872 20 30 CFEDHM C=CCCO[N-]C(=O)C1(CCOCC)CCCC1 ZINC000856033106 635707759 /nfs/dbraw/zinc/70/77/59/635707759.db2.gz XWVQTYRNCFAPCR-UHFFFAOYSA-N -1 3 255.358 2.597 20 30 CFEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000856033003 635708020 /nfs/dbraw/zinc/70/80/20/635708020.db2.gz VIUGHSMTUHTSKF-UHFFFAOYSA-N -1 3 283.274 2.552 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000856032768 635708055 /nfs/dbraw/zinc/70/80/55/635708055.db2.gz PWWQZVAJNPSCIS-GFCCVEGCSA-N -1 3 263.337 2.813 20 30 CFEDHM C=CCCO[N-]C(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000856035715 635709832 /nfs/dbraw/zinc/70/98/32/635709832.db2.gz HNERCXRCKVFQPB-ZDUSSCGKSA-N -1 3 272.348 2.901 20 30 CFEDHM C[C@@]1(C#N)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000856198510 635753677 /nfs/dbraw/zinc/75/36/77/635753677.db2.gz UWGCAONFHOTRAE-KRWDZBQOSA-N -1 3 280.327 2.921 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1[O-] ZINC000856199545 635754214 /nfs/dbraw/zinc/75/42/14/635754214.db2.gz AJIOURSTLXWNMQ-TXEJJXNPSA-N -1 3 295.342 2.659 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cccc(C)c1Br ZINC000862217743 637289354 /nfs/dbraw/zinc/28/93/54/637289354.db2.gz QGHMFAHMPCATBB-UHFFFAOYSA-N -1 3 298.180 2.924 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1c([O-])cccc1Br ZINC000862239191 637294432 /nfs/dbraw/zinc/29/44/32/637294432.db2.gz YQZKLUHDHITOFM-VIFPVBQESA-N -1 3 283.169 2.889 20 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253.729 2.891 20 30 CFEDHM C#Cc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000019836729 642049365 /nfs/dbraw/zinc/04/93/65/642049365.db2.gz SWMNZRPHHGFHAD-UHFFFAOYSA-N -1 3 251.285 2.934 20 30 CFEDHM C=C[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000878523717 643926464 /nfs/dbraw/zinc/92/64/64/643926464.db2.gz HLLWWQMNWPMLEB-GFCCVEGCSA-N -1 3 285.347 2.983 20 30 CFEDHM C#CCN(C(=O)c1cc(CC)ccc1[O-])C1CCCC1 ZINC000092598474 650922658 /nfs/dbraw/zinc/92/26/58/650922658.db2.gz SZZZBLUNYROOGS-UHFFFAOYSA-N -1 3 271.360 2.973 20 30 CFEDHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(C#N)c1 ZINC000800205861 646188423 /nfs/dbraw/zinc/18/84/23/646188423.db2.gz QKYSLCGVZAPWLZ-SNVBAGLBSA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(C#N)c1 ZINC000800205861 646188429 /nfs/dbraw/zinc/18/84/29/646188429.db2.gz QKYSLCGVZAPWLZ-SNVBAGLBSA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(C#N)c1 ZINC000800205861 646188437 /nfs/dbraw/zinc/18/84/37/646188437.db2.gz QKYSLCGVZAPWLZ-SNVBAGLBSA-N -1 3 292.298 2.748 20 30 CFEDHM CC[C@@H](NCc1nccn1CC)c1cccc(C#N)c1[O-] ZINC000926513892 648515997 /nfs/dbraw/zinc/51/59/97/648515997.db2.gz XUTXHSXZUHZTNZ-CQSZACIVSA-N -1 3 284.363 2.721 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cc(C#N)cs2)n1 ZINC000933771788 649720684 /nfs/dbraw/zinc/72/06/84/649720684.db2.gz IVVKMERMKURWII-JTQLQIEISA-N -1 3 288.376 2.617 20 30 CFEDHM COc1cc([O-])c(CN(C)[C@H](C)C#N)cc1Br ZINC001233141464 777806347 /nfs/dbraw/zinc/80/63/47/777806347.db2.gz JNNIDYZCOHWOGD-MRVPVSSYSA-N -1 3 299.168 2.507 20 30 CFEDHM COc1ccc(F)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255429909 770815930 /nfs/dbraw/zinc/81/59/30/770815930.db2.gz GCCLRYTUQPOKDZ-UHFFFAOYSA-N -1 3 277.251 2.702 20 30 CFEDHM Cc1cccc2c1NC(=O)C2=N[N-]c1ccc(Cl)nn1 ZINC000024036953 770955336 /nfs/dbraw/zinc/95/53/36/770955336.db2.gz QRFFCCMWGQAUMU-UHFFFAOYSA-N -1 3 287.710 2.856 20 30 CFEDHM Cc1ccnc(C#N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377417 773221346 /nfs/dbraw/zinc/22/13/46/773221346.db2.gz OCFPYFCXOJZLHF-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCC(F)(F)C2)[n-]1 ZINC001225467919 775466708 /nfs/dbraw/zinc/46/67/08/775466708.db2.gz DXZMOOCIDIXKRZ-QMMMGPOBSA-N -1 3 254.236 2.534 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCc3ccccc3C2)[n-]1 ZINC001225468579 775467271 /nfs/dbraw/zinc/46/72/71/775467271.db2.gz AXTTVEGKEMSRTP-AWEZNQCLSA-N -1 3 280.327 2.904 20 30 CFEDHM CCCCOC[C@@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470121 775468457 /nfs/dbraw/zinc/46/84/57/775468457.db2.gz RDEVCIFCGXUIFC-LLVKDONJSA-N -1 3 264.325 2.551 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccncc2F)[n-]1 ZINC001225470347 775468886 /nfs/dbraw/zinc/46/88/86/775468886.db2.gz VQTCTIPMOABMEQ-VIFPVBQESA-N -1 3 273.267 2.641 20 30 CFEDHM Cc1cc(=O)c(C#N)c(OC[C@@H](C)OCc2ccccc2)[n-]1 ZINC001225470678 775469954 /nfs/dbraw/zinc/46/99/54/775469954.db2.gz YIULIFYXFMUJMB-CYBMUJFWSA-N -1 3 298.342 2.951 20 30 CFEDHM CCOC(=O)[C@@H]1CCC[C@@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226113777 775703168 /nfs/dbraw/zinc/70/31/68/775703168.db2.gz AFIXUWAOCHVGHA-OACWRPJVSA-N -1 3 277.320 2.605 20 30 CFEDHM COC(=O)[C@H]1CCC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114202 775703790 /nfs/dbraw/zinc/70/37/90/775703790.db2.gz HSEMFXPLNGWDFX-HKVGSQCBSA-N -1 3 277.320 2.605 20 30 CFEDHM CC(C)(C)C(=O)OC1CC(Oc2cccc(/C=N/[O-])c2)C1 ZINC001226115229 775704011 /nfs/dbraw/zinc/70/40/11/775704011.db2.gz YUXJZTOMSMNSPI-LICLKQGHSA-N -1 3 291.347 2.994 20 30 CFEDHM Cc1ccc2c(c1)[C@H](Oc1nccc(/C=N/[O-])n1)CC2 ZINC001226253159 775755758 /nfs/dbraw/zinc/75/57/58/775755758.db2.gz FKXZCALVQSZABP-IREQLNLFSA-N -1 3 269.304 2.659 20 30 CFEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253318 775756445 /nfs/dbraw/zinc/75/64/45/775756445.db2.gz GQRQEONCDFAERF-ZWSCYVBNSA-N -1 3 273.336 2.965 20 30 CFEDHM CCc1nc(O[C@@H](C)CC(C)(C)S)cc(=O)[n-]1 ZINC001226476359 775839742 /nfs/dbraw/zinc/83/97/42/775839742.db2.gz QYZKDJBEAKMVHY-QMMMGPOBSA-N -1 3 256.371 2.610 20 30 CFEDHM CC[C@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(C)n1 ZINC001226511823 775855322 /nfs/dbraw/zinc/85/53/22/775855322.db2.gz KJXGPDFGGLCQGA-CQSZACIVSA-N -1 3 268.316 2.700 20 30 CFEDHM C#CC[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531764 775862769 /nfs/dbraw/zinc/86/27/69/775862769.db2.gz HMUDXQOPBUJVLN-JTQLQIEISA-N -1 3 258.273 2.598 20 30 CFEDHM C#C[C@@H](CC(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598918 775887451 /nfs/dbraw/zinc/88/74/51/775887451.db2.gz IBQIWLQSAKPRAP-LBPRGKRZSA-N -1 3 272.300 2.925 20 30 CFEDHM CC#C[C@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598928 775887467 /nfs/dbraw/zinc/88/74/67/775887467.db2.gz IJAXXTNUMNEGCK-NSHDSACASA-N -1 3 258.273 2.679 20 30 CFEDHM CCC[C@@H](C#Cc1ccccc1)Oc1cc(=O)[n-]cn1 ZINC001226949634 776031551 /nfs/dbraw/zinc/03/15/51/776031551.db2.gz PDQSKQOYFBRZFE-AWEZNQCLSA-N -1 3 268.316 2.781 20 30 CFEDHM CCC[C@H](C#Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093219 776093510 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CC#C[C@@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742955 776275607 /nfs/dbraw/zinc/27/56/07/776275607.db2.gz GBZFBNLHVWAVEC-SNVBAGLBSA-N -1 3 259.265 2.652 20 30 CFEDHM CC#C[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742955 776275613 /nfs/dbraw/zinc/27/56/13/776275613.db2.gz GBZFBNLHVWAVEC-SNVBAGLBSA-N -1 3 259.265 2.652 20 30 CFEDHM C=CC[C@@H](CCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820283 776299515 /nfs/dbraw/zinc/29/95/15/776299515.db2.gz QIXYCLPKHVDPLP-JTQLQIEISA-N -1 3 265.309 2.697 20 30 CFEDHM C=C[C@H](CCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227825620 776300744 /nfs/dbraw/zinc/30/07/44/776300744.db2.gz MTRGQQCEIKCHAA-SNVBAGLBSA-N -1 3 265.309 2.697 20 30 CFEDHM CC#C[C@@H](CC)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228080215 776388273 /nfs/dbraw/zinc/38/82/73/776388273.db2.gz VDDWKYZQTYQJRH-LLVKDONJSA-N -1 3 290.315 2.858 20 30 CFEDHM N#C[C@H](Oc1nccc(=S)[n-]1)c1ccccc1F ZINC001228128758 776403277 /nfs/dbraw/zinc/40/32/77/776403277.db2.gz QAAYSAGQJRSYLG-JTQLQIEISA-N -1 3 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CFEDHM N#Cc1c[nH]c2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241443648 780893754 /nfs/dbraw/zinc/89/37/54/780893754.db2.gz JJZYCAUEXHRWTQ-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#Cc1c[nH]c2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241443648 780893761 /nfs/dbraw/zinc/89/37/61/780893761.db2.gz JJZYCAUEXHRWTQ-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM COc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1CC#N ZINC001241444853 780894357 /nfs/dbraw/zinc/89/43/57/780894357.db2.gz XOISZHULBFVRNB-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM COc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1CC#N ZINC001241444853 780894360 /nfs/dbraw/zinc/89/43/60/780894360.db2.gz XOISZHULBFVRNB-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM C#Cc1cccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001241921711 781183060 /nfs/dbraw/zinc/18/30/60/781183060.db2.gz SPEMCEQYVZIXLK-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM C#Cc1cccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001241921711 781183065 /nfs/dbraw/zinc/18/30/65/781183065.db2.gz SPEMCEQYVZIXLK-UHFFFAOYSA-N -1 3 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CFEDHM N#Cc1cccc(C[S@](=O)c2ccc([O-])cc2)c1 ZINC000108083059 186202881 /nfs/dbraw/zinc/20/28/81/186202881.db2.gz OCBGDRQAQAHOAC-GOSISDBHSA-N -1 3 257.314 2.572 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601821863 350786329 /nfs/dbraw/zinc/78/63/29/350786329.db2.gz SZYSKQNDQZNSBZ-JSGCOSHPSA-N -1 3 272.348 2.719 20 30 CFEDHM Cc1sc([N-]C(=O)c2nn(C)cc2Cl)c(C#N)c1C ZINC000602226869 350854086 /nfs/dbraw/zinc/85/40/86/350854086.db2.gz JBEUIWOTFIEKTF-UHFFFAOYSA-N -1 3 294.767 2.876 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2conc2CC)s1 ZINC000602249290 350855656 /nfs/dbraw/zinc/85/56/56/350855656.db2.gz TZUZWTWWKMDPQM-UHFFFAOYSA-N -1 3 275.333 2.985 20 30 CFEDHM Cc1ccc(C#N)c(NCc2cc(=O)[n-]c(C3CCC3)n2)n1 ZINC000603415885 351160077 /nfs/dbraw/zinc/16/00/77/351160077.db2.gz NJVXPZLQGLJTNG-UHFFFAOYSA-N -1 3 295.346 2.637 20 30 CFEDHM COc1ccnc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000605431939 351245782 /nfs/dbraw/zinc/24/57/82/351245782.db2.gz QLWIBGSGOAUBAM-LLVKDONJSA-N -1 3 293.282 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ZINC000263890858 383689161 /nfs/dbraw/zinc/68/91/61/383689161.db2.gz ZSZVCBHNWCIUGW-UHFFFAOYSA-N -1 3 256.375 2.826 20 30 CFEDHM CCCCCCCC(=O)Nc1nc(SC)n[n-]1 ZINC000263890858 383689165 /nfs/dbraw/zinc/68/91/65/383689165.db2.gz ZSZVCBHNWCIUGW-UHFFFAOYSA-N -1 3 256.375 2.826 20 30 CFEDHM CCCCCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000263890858 383689170 /nfs/dbraw/zinc/68/91/70/383689170.db2.gz ZSZVCBHNWCIUGW-UHFFFAOYSA-N -1 3 256.375 2.826 20 30 CFEDHM CC(C)CCO[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000049288489 373284703 /nfs/dbraw/zinc/28/47/03/373284703.db2.gz UHLSRTNRQNWNJD-SSDOTTSWSA-N -1 3 294.277 2.863 20 30 CFEDHM CC(C)CCO[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000049288489 373284708 /nfs/dbraw/zinc/28/47/08/373284708.db2.gz UHLSRTNRQNWNJD-SSDOTTSWSA-N -1 3 294.277 2.863 20 30 CFEDHM C[C@@H](C#N)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000081791222 374715037 /nfs/dbraw/zinc/71/50/37/374715037.db2.gz TVLDFSPNCUFMKO-ZDUSSCGKSA-N -1 3 294.354 2.872 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000678845393 542082188 /nfs/dbraw/zinc/08/21/88/542082188.db2.gz MJPNOSRGXPDOFC-LLVKDONJSA-N -1 3 285.413 2.556 20 30 CFEDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451828514 383719212 /nfs/dbraw/zinc/71/92/12/383719212.db2.gz SFTNLWOMIWWIQN-ZJUUUORDSA-N -1 3 298.795 2.536 20 30 CFEDHM CC[C@@H](CC#N)NCc1cc([O-])ccc1Br ZINC000135040749 378077785 /nfs/dbraw/zinc/07/77/85/378077785.db2.gz QZYXTNCICYORGI-JTQLQIEISA-N -1 3 283.169 2.937 20 30 CFEDHM CCN(C[C@@H](C)C#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000136207319 378189180 /nfs/dbraw/zinc/18/91/80/378189180.db2.gz KYEZREPPLDUSAG-JTQLQIEISA-N -1 3 280.755 2.596 20 30 CFEDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000152898626 378456547 /nfs/dbraw/zinc/45/65/47/378456547.db2.gz RFADOKFJBZAKGC-YPMHNXCESA-N -1 3 296.367 2.554 20 30 CFEDHM CC[C@H](NC(=O)c1ccc(OC)cc1[O-])C1CCOCC1 ZINC000331240237 378656925 /nfs/dbraw/zinc/65/69/25/378656925.db2.gz PAHUBYNMLSALEW-AWEZNQCLSA-N -1 3 293.363 2.911 20 30 CFEDHM C#CCOc1cc(F)ccc1NC([O-])=NOCC(C)C ZINC000160540356 378781333 /nfs/dbraw/zinc/78/13/33/378781333.db2.gz YYAACUKNEDMDFL-UHFFFAOYSA-N -1 3 280.299 2.547 20 30 CFEDHM C#CCOc1cc(F)ccc1NC(=O)[N-]OCC(C)C ZINC000160540356 378781339 /nfs/dbraw/zinc/78/13/39/378781339.db2.gz YYAACUKNEDMDFL-UHFFFAOYSA-N -1 3 280.299 2.547 20 30 CFEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1CC(C)C ZINC000165457210 379040021 /nfs/dbraw/zinc/04/00/21/379040021.db2.gz QXXDFYKGPIDCSW-CYBMUJFWSA-N -1 3 296.374 2.987 20 30 CFEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000335152503 379983816 /nfs/dbraw/zinc/98/38/16/379983816.db2.gz XQEDXMWESQDATJ-JVXZTZIISA-N -1 3 295.136 2.643 20 30 CFEDHM CN(CC(C)(C)C#N)C(=O)c1cc([O-])ccc1Cl ZINC000335911922 380096702 /nfs/dbraw/zinc/09/67/02/380096702.db2.gz OBMCRZJQIVBLRM-UHFFFAOYSA-N -1 3 266.728 2.667 20 30 CFEDHM CC(C)(C#N)CCC[S@](=O)c1ccc([O-])cc1 ZINC000177101434 380303884 /nfs/dbraw/zinc/30/38/84/380303884.db2.gz BEENPMPIZTWFSV-KRWDZBQOSA-N -1 3 251.351 2.830 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000336566396 380477786 /nfs/dbraw/zinc/47/77/86/380477786.db2.gz PEINERRQSWSQJR-GFCCVEGCSA-N -1 3 278.327 2.781 20 30 CFEDHM CC#CCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000295524178 380916302 /nfs/dbraw/zinc/91/63/02/380916302.db2.gz GNRVVJUVCXSVTB-UHFFFAOYSA-N -1 3 282.343 2.653 20 30 CFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408408624 380924197 /nfs/dbraw/zinc/92/41/97/380924197.db2.gz PQIPRNYXGXSNLO-DZGCQCFKSA-N -1 3 284.359 2.693 20 30 CFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000408413706 380924554 /nfs/dbraw/zinc/92/45/54/380924554.db2.gz IBAKQOAFKOZFQI-IUODEOHRSA-N -1 3 284.359 2.693 20 30 CFEDHM Cc1csc([C@H](C)C/N=C/c2ccc(O)c([O-])c2O)n1 ZINC000182164404 381008159 /nfs/dbraw/zinc/00/81/59/381008159.db2.gz MKFSQQVWQWSDLJ-DZYDPXEMSA-N -1 3 292.360 2.791 20 30 CFEDHM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1ccncn1 ZINC000354410282 381249684 /nfs/dbraw/zinc/24/96/84/381249684.db2.gz KUVGJHGMESSFAP-ZDUSSCGKSA-N -1 3 290.282 2.622 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000354520926 381317482 /nfs/dbraw/zinc/31/74/82/381317482.db2.gz LWPFTQAYBUUINO-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049457648 412944742 /nfs/dbraw/zinc/94/47/42/412944742.db2.gz YBAZPTXMKGSZLX-CQSZACIVSA-N -1 3 293.326 2.920 20 30 CFEDHM C=CCn1c(SCc2cccc(C)c2)n[n-]c1=O ZINC000348112451 381464402 /nfs/dbraw/zinc/46/44/02/381464402.db2.gz FWBDNYCARBVMON-UHFFFAOYSA-N -1 3 261.350 2.770 20 30 CFEDHM Cc1nsc([N-]C(=O)c2nc(C(C)C)oc2C)c1C#N ZINC000298740462 381733489 /nfs/dbraw/zinc/73/34/89/381733489.db2.gz TYXCAQDETGNLAP-UHFFFAOYSA-N -1 3 290.348 2.995 20 30 CFEDHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000360024539 381734286 /nfs/dbraw/zinc/73/42/86/381734286.db2.gz OQZLHWURCXNFMR-UHFFFAOYSA-N -1 3 298.795 2.846 20 30 CFEDHM C=C[C@@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000361208021 381809150 /nfs/dbraw/zinc/80/91/50/381809150.db2.gz DVUROHOUELSDFT-MRVPVSSYSA-N -1 3 299.168 2.528 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(C)cc1[O-] ZINC000299299244 381887551 /nfs/dbraw/zinc/88/75/51/381887551.db2.gz NXJSJVJPMGFMEF-UHFFFAOYSA-N -1 3 273.254 2.891 20 30 CFEDHM CC(C)n1nccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000361654460 381855977 /nfs/dbraw/zinc/85/59/77/381855977.db2.gz KUPLEZQESGSCTA-NSHDSACASA-N -1 3 293.330 2.830 20 30 CFEDHM C#CCC(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000186419477 381905781 /nfs/dbraw/zinc/90/57/81/381905781.db2.gz WLSMSEADYDQAQK-UHFFFAOYSA-N -1 3 286.310 2.599 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(C)c(F)c1 ZINC000417622957 382061135 /nfs/dbraw/zinc/06/11/35/382061135.db2.gz IHPWCSIZRSSYPP-LBPRGKRZSA-N -1 3 251.301 2.643 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(C)n2)nc(C)n1 ZINC000420242731 382336247 /nfs/dbraw/zinc/33/62/47/382336247.db2.gz PLCOKBDXIJPXHB-ZDUSSCGKSA-N -1 3 280.331 2.595 20 30 CFEDHM C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000308731099 382485256 /nfs/dbraw/zinc/48/52/56/382485256.db2.gz SXMPCNCMVAXYTL-MFKMUULPSA-N -1 3 298.433 2.867 20 30 CFEDHM C=CCC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCC1 ZINC000189910673 382644748 /nfs/dbraw/zinc/64/47/48/382644748.db2.gz BOGHYEQKMNBDBZ-UHFFFAOYSA-N -1 3 274.246 2.508 20 30 CFEDHM C=CCC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCC1 ZINC000189910673 382644749 /nfs/dbraw/zinc/64/47/49/382644749.db2.gz BOGHYEQKMNBDBZ-UHFFFAOYSA-N -1 3 274.246 2.508 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000191137311 382692450 /nfs/dbraw/zinc/69/24/50/382692450.db2.gz DEKGJSGALQMTGC-AWEZNQCLSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000191137311 382692451 /nfs/dbraw/zinc/69/24/51/382692451.db2.gz DEKGJSGALQMTGC-AWEZNQCLSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000191137311 382692452 /nfs/dbraw/zinc/69/24/52/382692452.db2.gz DEKGJSGALQMTGC-AWEZNQCLSA-N -1 3 274.324 2.914 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cn3ccccc3n2)n1 ZINC000337198636 382775018 /nfs/dbraw/zinc/77/50/18/382775018.db2.gz ZUMNPVCMJWBADU-SNVBAGLBSA-N -1 3 282.328 2.589 20 30 CFEDHM C=CCSCCNC(=O)c1cc([O-])ccc1Cl ZINC000227882858 382842066 /nfs/dbraw/zinc/84/20/66/382842066.db2.gz KSESSQUQTMVRIX-UHFFFAOYSA-N -1 3 271.769 2.695 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444068115 382972017 /nfs/dbraw/zinc/97/20/17/382972017.db2.gz BRAKDBMBMCNRGD-SSDOTTSWSA-N -1 3 297.273 2.697 20 30 CFEDHM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1ccccn1 ZINC000543988961 382974276 /nfs/dbraw/zinc/97/42/76/382974276.db2.gz NUZXWNURJZWGJD-ZDUSSCGKSA-N -1 3 263.300 2.844 20 30 CFEDHM C=CCON=C([O-])Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000496151363 383069820 /nfs/dbraw/zinc/06/98/20/383069820.db2.gz MSMYFBVJEBGDRW-UHFFFAOYSA-N -1 3 293.323 2.518 20 30 CFEDHM C=CCO[N-]C(=O)Nc1ccc(N(C)C(=O)OCC)cc1 ZINC000496151363 383069826 /nfs/dbraw/zinc/06/98/26/383069826.db2.gz MSMYFBVJEBGDRW-UHFFFAOYSA-N -1 3 293.323 2.518 20 30 CFEDHM C[C@H](NCc1ncccc1[O-])c1ccc(C#N)cc1 ZINC000518746202 383206764 /nfs/dbraw/zinc/20/67/64/383206764.db2.gz LXAVZRSNGQJSSK-NSHDSACASA-N -1 3 253.305 2.510 20 30 CFEDHM C=CCCCCN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000562532850 383160294 /nfs/dbraw/zinc/16/02/94/383160294.db2.gz ZUNMEFXZCFJPPU-UHFFFAOYSA-N -1 3 288.391 2.506 20 30 CFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000515437612 383160422 /nfs/dbraw/zinc/16/04/22/383160422.db2.gz JRMREHNMZOLXSK-UHFFFAOYSA-N -1 3 291.376 2.849 20 30 CFEDHM Cc1cc(OCCC(C)(C)C#N)cc2occ([O-])c21 ZINC000634561337 383236063 /nfs/dbraw/zinc/23/60/63/383236063.db2.gz XOTORPDGSRNDDU-UHFFFAOYSA-N -1 3 259.305 2.889 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2cscn2)CCCCC1 ZINC000567894980 383328760 /nfs/dbraw/zinc/32/87/60/383328760.db2.gz JAQBQRXHPANHKG-UHFFFAOYSA-N -1 3 286.422 2.700 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cc(F)cc(OC(F)F)c1 ZINC000634797696 383359314 /nfs/dbraw/zinc/35/93/14/383359314.db2.gz RIAIAUDQZGFHKO-UHFFFAOYSA-N -1 3 295.282 2.745 20 30 CFEDHM C=CCC1(C(=O)Nc2nnc(-c3ccccn3)[n-]2)CCCC1 ZINC000449814706 383366598 /nfs/dbraw/zinc/36/65/98/383366598.db2.gz TUKJCZPCRJLPJY-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM C=CCC1(C(=O)Nc2nc(-c3ccccn3)n[n-]2)CCCC1 ZINC000449814706 383366606 /nfs/dbraw/zinc/36/66/06/383366606.db2.gz TUKJCZPCRJLPJY-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CCCC1 ZINC000449814706 383366611 /nfs/dbraw/zinc/36/66/11/383366611.db2.gz TUKJCZPCRJLPJY-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000568203672 383374689 /nfs/dbraw/zinc/37/46/89/383374689.db2.gz QHBZREFOZHHWKW-GFCCVEGCSA-N -1 3 268.320 2.658 20 30 CFEDHM C=CC[C@H](CC)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000487681586 383481221 /nfs/dbraw/zinc/48/12/21/383481221.db2.gz XILLOCZDRQZCBA-NSHDSACASA-N -1 3 270.336 2.556 20 30 CFEDHM Cc1cscc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000429344899 383521430 /nfs/dbraw/zinc/52/14/30/383521430.db2.gz OFTVBLRBOKPFDI-LLVKDONJSA-N -1 3 271.345 2.953 20 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263.337 2.875 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(CC)ccc1[O-] ZINC000437479295 383902619 /nfs/dbraw/zinc/90/26/19/383902619.db2.gz WTSOAVZUVKQPNZ-CJNGLKHVSA-N -1 3 289.375 2.666 20 30 CFEDHM C=CCN(Cc1ccccc1)C(=O)Cc1cncc([O-])c1 ZINC000573470821 383937021 /nfs/dbraw/zinc/93/70/21/383937021.db2.gz RCBOBEWDTQWUOE-UHFFFAOYSA-N -1 3 282.343 2.545 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H]2Cc2ccccc2)c1[O-] ZINC000266015007 384054126 /nfs/dbraw/zinc/05/41/26/384054126.db2.gz RXKQHUNMZGXVPU-GJECZMHMSA-N -1 3 296.370 2.638 20 30 CFEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C2CCC2)n1 ZINC000574181446 384059676 /nfs/dbraw/zinc/05/96/76/384059676.db2.gz FVSYUZWIEGIYRQ-GFCCVEGCSA-N -1 3 280.331 2.573 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000644785243 385059241 /nfs/dbraw/zinc/05/92/41/385059241.db2.gz HTSJDLRHLZMRDV-BBRMVZONSA-N -1 3 289.375 2.837 20 30 CFEDHM Cc1ccc(C(=O)NC2(C#N)CCSCC2)c([O-])c1C ZINC000271451983 385382832 /nfs/dbraw/zinc/38/28/32/385382832.db2.gz RKFRTANDMXSJIZ-UHFFFAOYSA-N -1 3 290.388 2.528 20 30 CFEDHM COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000331249245 335052754 /nfs/dbraw/zinc/05/27/54/335052754.db2.gz VINBEXJQPKNYGE-GHMZBOCLSA-N -1 3 279.336 2.521 20 30 CFEDHM CCc1nnsc1C(=O)[N-]c1scc(C)c1C#N ZINC000288898416 197188346 /nfs/dbraw/zinc/18/83/46/197188346.db2.gz SSEJPOOVLFRREB-UHFFFAOYSA-N -1 3 278.362 2.594 20 30 CFEDHM C=CCN(Cc1cc(=O)oc2cc([O-])ccc12)C1CC1 ZINC000272322308 385510082 /nfs/dbraw/zinc/51/00/82/385510082.db2.gz ZAKCCCJUGYRRPW-UHFFFAOYSA-N -1 3 271.316 2.649 20 30 CFEDHM N#Cc1ccc([N-]c2cc3n(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000286274799 385581348 /nfs/dbraw/zinc/58/13/48/385581348.db2.gz FXKLAOZTJKGNHQ-UHFFFAOYSA-N -1 3 283.291 2.743 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)C1 ZINC000639964647 385796966 /nfs/dbraw/zinc/79/69/66/385796966.db2.gz KOBJCRHJUBZYRN-UHFFFAOYSA-N -1 3 272.308 2.668 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)C1 ZINC000639964647 385796973 /nfs/dbraw/zinc/79/69/73/385796973.db2.gz KOBJCRHJUBZYRN-UHFFFAOYSA-N -1 3 272.308 2.668 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)C1 ZINC000639964647 385796980 /nfs/dbraw/zinc/79/69/80/385796980.db2.gz KOBJCRHJUBZYRN-UHFFFAOYSA-N -1 3 272.308 2.668 20 30 CFEDHM C#CCOc1ccccc1NC([O-])=NOC1CCCC1 ZINC000274858294 385884619 /nfs/dbraw/zinc/88/46/19/385884619.db2.gz OSDNIBSOYPWVDB-UHFFFAOYSA-N -1 3 274.320 2.694 20 30 CFEDHM C#CCOc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000274858294 385884625 /nfs/dbraw/zinc/88/46/25/385884625.db2.gz OSDNIBSOYPWVDB-UHFFFAOYSA-N -1 3 274.320 2.694 20 30 CFEDHM C=C(C)C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000275108316 385934599 /nfs/dbraw/zinc/93/45/99/385934599.db2.gz GNUKTZQTCOERPM-UHFFFAOYSA-N -1 3 261.218 2.749 20 30 CFEDHM CC[C@H](C#N)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188886115 262163485 /nfs/dbraw/zinc/16/34/85/262163485.db2.gz QQXNDVXFKGDAQQ-SSDOTTSWSA-N -1 3 294.767 2.824 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000683689393 542709344 /nfs/dbraw/zinc/70/93/44/542709344.db2.gz CHULUVZVDRLVMG-SNVBAGLBSA-N -1 3 257.318 2.645 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1cn2ccnc2s1 ZINC000188143479 393560936 /nfs/dbraw/zinc/56/09/36/393560936.db2.gz WHQCROIYBHUSIJ-UHFFFAOYSA-N -1 3 274.330 2.581 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1ccccn1 ZINC000338319492 393781539 /nfs/dbraw/zinc/78/15/39/393781539.db2.gz IYFQYQSGYBACSY-JTQLQIEISA-N -1 3 291.232 2.985 20 30 CFEDHM N#CC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000345586224 393911420 /nfs/dbraw/zinc/91/14/20/393911420.db2.gz NTZSSZYQPAGEII-UHFFFAOYSA-N -1 3 290.338 2.616 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000109541795 393878976 /nfs/dbraw/zinc/87/89/76/393878976.db2.gz AFFVOYQJAFKUJV-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000416507942 393923491 /nfs/dbraw/zinc/92/34/91/393923491.db2.gz PWTKNHYUQPSCTO-JTQLQIEISA-N -1 3 298.383 2.800 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000416953116 393946645 /nfs/dbraw/zinc/94/66/45/393946645.db2.gz HIJCMOPAVCCXGB-LLVKDONJSA-N -1 3 282.340 2.747 20 30 CFEDHM CCc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1CC ZINC000416962316 393946819 /nfs/dbraw/zinc/94/68/19/393946819.db2.gz TVBFPQZNZVPXSA-AWEZNQCLSA-N -1 3 280.393 2.855 20 30 CFEDHM C=CCN(CCc1ccccc1)C(=O)c1csc(=O)[n-]1 ZINC000348898873 393960659 /nfs/dbraw/zinc/96/06/59/393960659.db2.gz HHYUFVHILLBPJG-UHFFFAOYSA-N -1 3 288.372 2.720 20 30 CFEDHM CCC(=O)N1CC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000122906114 393973340 /nfs/dbraw/zinc/97/33/40/393973340.db2.gz VFIPXLXGZHWCRO-HIPSJFSSSA-N -1 3 296.370 2.975 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(OCC)c(F)c1 ZINC000417617169 393984250 /nfs/dbraw/zinc/98/42/50/393984250.db2.gz ZVQYVAIVYYTRFX-LBPRGKRZSA-N -1 3 281.327 2.733 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(F)cc1C ZINC000417621363 393985032 /nfs/dbraw/zinc/98/50/32/393985032.db2.gz FQEBEFWHCURSDR-ZDUSSCGKSA-N -1 3 251.301 2.643 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000125711687 394011574 /nfs/dbraw/zinc/01/15/74/394011574.db2.gz BBGSTWYLDXDJCM-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM C#CCN(C(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000490933669 394045068 /nfs/dbraw/zinc/04/50/68/394045068.db2.gz FYSFLBLQOPWZNF-UHFFFAOYSA-N -1 3 257.333 2.800 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccccc1OCC ZINC000493388758 394228390 /nfs/dbraw/zinc/22/83/90/394228390.db2.gz QZQASQAZUIINDN-NLYDNYMLSA-N -1 3 261.321 2.721 20 30 CFEDHM N#C[C@H]1N(Cc2ccccc2[O-])CCC[C@@]12CCCCO2 ZINC000366151344 394240316 /nfs/dbraw/zinc/24/03/16/394240316.db2.gz JSIUXPGBZZQOBB-SJORKVTESA-N -1 3 286.375 2.819 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)/C=C/c2cccc(C#N)c2)n1 ZINC000493542418 394273030 /nfs/dbraw/zinc/27/30/30/394273030.db2.gz FXIAJORRJJVKOF-SOFGYWHQSA-N -1 3 279.299 2.619 20 30 CFEDHM COc1cc([O-])cc(NC(=O)/C=C/c2cccc(C#N)c2)c1 ZINC000493778234 394314135 /nfs/dbraw/zinc/31/41/35/394314135.db2.gz MGDKNHCGZPWMKU-AATRIKPKSA-N -1 3 294.310 2.924 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)(C)C ZINC000443077560 286917193 /nfs/dbraw/zinc/91/71/93/286917193.db2.gz LWQUXJLRRZXCLL-CYBMUJFWSA-N -1 3 298.383 2.800 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2cscc2C#N)c1 ZINC000345963520 162287181 /nfs/dbraw/zinc/28/71/81/162287181.db2.gz YRCOGLYVKGGHLL-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM COc1cccc(NC(=O)c2ccc(C#N)cc2)c1[O-] ZINC000352855544 163254115 /nfs/dbraw/zinc/25/41/15/163254115.db2.gz PHXRVTCPYIUZAL-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM Cc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1[O-] ZINC000335817251 226875753 /nfs/dbraw/zinc/87/57/53/226875753.db2.gz PTLMXOGPGQUXSB-MEDUHNTESA-N -1 3 272.348 2.903 20 30 CFEDHM Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2F)ccc1[O-] ZINC000354487874 227013187 /nfs/dbraw/zinc/01/31/87/227013187.db2.gz FXLVEGYRJJSCDN-AWEZNQCLSA-N -1 3 284.290 2.834 20 30 CFEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000336202299 228213325 /nfs/dbraw/zinc/21/33/25/228213325.db2.gz YNVRFJFVLQIZHL-JVXZTZIISA-N -1 3 250.685 2.534 20 30 CFEDHM Cc1cccc(C(=O)NC2(C#N)CCCCC2)c1[O-] ZINC000040217107 260138342 /nfs/dbraw/zinc/13/83/42/260138342.db2.gz FBWAGGLGILJERH-UHFFFAOYSA-N -1 3 258.321 2.657 20 30 CFEDHM CC[C@H](CC#N)NCc1cc(Cl)cc(OC)c1[O-] ZINC000185206650 262046107 /nfs/dbraw/zinc/04/61/07/262046107.db2.gz MVDGNXSCURERFQ-LLVKDONJSA-N -1 3 268.744 2.836 20 30 CFEDHM CCc1ccc(C(=O)N(CCC#N)CC2CC2)c([O-])c1 ZINC000191074246 262188915 /nfs/dbraw/zinc/18/89/15/262188915.db2.gz YRROIZSEFDCDQU-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM CSC1(C/N=C/c2ccc(O)c([O-])c2O)CCC1 ZINC000193256584 262218972 /nfs/dbraw/zinc/21/89/72/262218972.db2.gz PHSDFIGUFODHOH-VGOFMYFVSA-N -1 3 267.350 2.508 20 30 CFEDHM CC(C)c1ccc(C(=O)NC2(C#N)CCC2)c([O-])c1 ZINC000271216909 262995195 /nfs/dbraw/zinc/99/51/95/262995195.db2.gz FDZKNOAGNYXMMT-UHFFFAOYSA-N -1 3 258.321 2.692 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CCSC[C@H]2C#N)c([O-])c1 ZINC000271792852 262999829 /nfs/dbraw/zinc/99/98/29/262999829.db2.gz VBYBEUDPGHZXJA-GFCCVEGCSA-N -1 3 290.388 2.597 20 30 CFEDHM Cc1cc(C(=O)N(CCC#N)Cc2ccco2)ccc1[O-] ZINC000272388405 263003864 /nfs/dbraw/zinc/00/38/64/263003864.db2.gz GLYWTGJURCRQMA-UHFFFAOYSA-N -1 3 284.315 2.850 20 30 CFEDHM CC1(C#N)CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000272613202 263007515 /nfs/dbraw/zinc/00/75/15/263007515.db2.gz SREFHGOGLIQCDS-UHFFFAOYSA-N -1 3 298.342 2.624 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@H](C#N)C(C)C)cc1 ZINC000272625102 263007710 /nfs/dbraw/zinc/00/77/10/263007710.db2.gz WXGPHAQELKTUMS-GFCCVEGCSA-N -1 3 266.291 2.751 20 30 CFEDHM CC(C)CON=C([O-])Nc1ccccc1O[C@H](C)C#N ZINC000272703056 263008202 /nfs/dbraw/zinc/00/82/02/263008202.db2.gz UZZVEKDXUFBYSZ-LLVKDONJSA-N -1 3 277.324 2.687 20 30 CFEDHM CC(C)CO[N-]C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000272703056 263008203 /nfs/dbraw/zinc/00/82/03/263008203.db2.gz UZZVEKDXUFBYSZ-LLVKDONJSA-N -1 3 277.324 2.687 20 30 CFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1F ZINC000274374261 263023719 /nfs/dbraw/zinc/02/37/19/263023719.db2.gz PEAHJZHTLBHEJK-CQSZACIVSA-N -1 3 298.383 2.573 20 30 CFEDHM CCOc1cc(CN(CC)CC#N)cc(Cl)c1[O-] ZINC000283919114 263084760 /nfs/dbraw/zinc/08/47/60/263084760.db2.gz GYKNICNCJFUZFA-UHFFFAOYSA-N -1 3 268.744 2.790 20 30 CFEDHM N#CCc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000340235771 263099062 /nfs/dbraw/zinc/09/90/62/263099062.db2.gz MEBXBMCGXIREFP-UHFFFAOYSA-N -1 3 284.290 2.527 20 30 CFEDHM CCCc1nc(C)c(C/N=C/c2ccc(O)c([O-])c2O)o1 ZINC000292085065 263128245 /nfs/dbraw/zinc/12/82/45/263128245.db2.gz NANFOHSUJIESDZ-FRKPEAEDSA-N -1 3 290.319 2.671 20 30 CFEDHM Cc1cc(Cl)cc(CN2CC(C)(C#N)C2)c1[O-] ZINC000297489735 263205651 /nfs/dbraw/zinc/20/56/51/263205651.db2.gz TXSKFEHIPOLQMM-UHFFFAOYSA-N -1 3 250.729 2.700 20 30 CFEDHM Cc1ccsc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000298278557 263216905 /nfs/dbraw/zinc/21/69/05/263216905.db2.gz BVIBGUVAVFULBZ-GIDUJCDVSA-N -1 3 276.361 2.577 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCOC1 ZINC000298450288 263220119 /nfs/dbraw/zinc/22/01/19/263220119.db2.gz YCJWHPZICUAUNI-DUJAKZANSA-N -1 3 284.153 2.610 20 30 CFEDHM CC[C@H](CC(F)(F)F)NC(=O)c1csc(=O)[n-]1 ZINC000331023936 264098943 /nfs/dbraw/zinc/09/89/43/264098943.db2.gz UQGJXTVSBUQEGZ-RXMQYKEDSA-N -1 3 268.260 2.884 20 30 CFEDHM CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C)c1[O-] ZINC000331270540 264169054 /nfs/dbraw/zinc/16/90/54/264169054.db2.gz MKXVVCFSIQEIHK-STQMWFEESA-N -1 3 263.337 2.963 20 30 CFEDHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H](C)O ZINC000331314229 264188202 /nfs/dbraw/zinc/18/82/02/264188202.db2.gz CPFZCBIWGKBKRP-SKDRFNHKSA-N -1 3 293.363 2.570 20 30 CFEDHM Cc1ccc(C(=O)N(CCC#N)Cc2ccccn2)c([O-])c1 ZINC000094107495 265220656 /nfs/dbraw/zinc/22/06/56/265220656.db2.gz NTLQKWOYERFCQQ-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM N#CC(=C([O-])c1ccnn1-c1ccccc1)c1ccccn1 ZINC000361664152 266867604 /nfs/dbraw/zinc/86/76/04/266867604.db2.gz HWOTYNHNODRVBK-AWEZNQCLSA-N -1 3 288.310 2.757 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(C#N)c2C)nc(C)n1 ZINC000338627209 267363300 /nfs/dbraw/zinc/36/33/00/267363300.db2.gz QAKFCQVWMGUGDW-HNNXBMFYSA-N -1 3 290.326 2.764 20 30 CFEDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230341429 270260079 /nfs/dbraw/zinc/26/00/79/270260079.db2.gz VAWYZAHOFFMILF-MNOVXSKESA-N -1 3 298.433 2.867 20 30 CFEDHM N#Cc1cccc(/C=C/C(=O)Nc2cccc([O-])c2)c1 ZINC000133626220 280746443 /nfs/dbraw/zinc/74/64/43/280746443.db2.gz UHXLWZTYAOFZIH-BQYQJAHWSA-N -1 3 264.284 2.916 20 30 CFEDHM N#Cc1cc(C(=O)Nc2ccc([O-])c3ccccc23)c[nH]1 ZINC000542776379 281633049 /nfs/dbraw/zinc/63/30/49/281633049.db2.gz KMZBXJCMQYSEEN-UHFFFAOYSA-N -1 3 277.283 2.997 20 30 CFEDHM COCc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)co1 ZINC000548520944 281790789 /nfs/dbraw/zinc/79/07/89/281790789.db2.gz GGVLDRVNXZTOGP-UHFFFAOYSA-N -1 3 291.332 2.623 20 30 CFEDHM CC(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156013484 289930205 /nfs/dbraw/zinc/93/02/05/289930205.db2.gz OZBSVZOUYBIBAA-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157524823 289957292 /nfs/dbraw/zinc/95/72/92/289957292.db2.gz NJPWYKUADARCBW-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1ncoc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000334630958 293671137 /nfs/dbraw/zinc/67/11/37/293671137.db2.gz AXNJSHVHDHIPKP-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM C[C@H](CC#N)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185875107 327849026 /nfs/dbraw/zinc/84/90/26/327849026.db2.gz ULGOSTPFGHJDGP-LLVKDONJSA-N -1 3 272.348 2.645 20 30 CFEDHM N#CCc1ccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)cc1 ZINC000339226929 328002538 /nfs/dbraw/zinc/00/25/38/328002538.db2.gz ASLNJVFXJPSGCZ-UHFFFAOYSA-N -1 3 294.236 2.747 20 30 CFEDHM N#CCc1ccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)cc1 ZINC000339226929 328002540 /nfs/dbraw/zinc/00/25/40/328002540.db2.gz ASLNJVFXJPSGCZ-UHFFFAOYSA-N -1 3 294.236 2.747 20 30 CFEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1ccccn1 ZINC000531783210 328033656 /nfs/dbraw/zinc/03/36/56/328033656.db2.gz ATAZEXNYSHUKLB-CYBMUJFWSA-N -1 3 263.300 2.844 20 30 CFEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@H](O)C1CCOCC1 ZINC000265527451 328166105 /nfs/dbraw/zinc/16/61/05/328166105.db2.gz QIKVZJMNHWWMSE-PYJSORCASA-N -1 3 299.370 2.752 20 30 CFEDHM CCN(CCC#N)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000266939784 328170664 /nfs/dbraw/zinc/17/06/64/328170664.db2.gz RAKVUONSXUGKTN-UHFFFAOYSA-N -1 3 286.331 2.543 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000278834695 328230694 /nfs/dbraw/zinc/23/06/94/328230694.db2.gz VKMJEDOXCHCDPE-AWEZNQCLSA-N -1 3 295.333 2.926 20 30 CFEDHM N#Cc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000179146800 323735536 /nfs/dbraw/zinc/73/55/36/323735536.db2.gz MQZKIEYUZLVGPV-UHFFFAOYSA-N -1 3 270.263 2.584 20 30 CFEDHM Cc1ccc2c(CN3CC(C)(C#N)C3)ccc([O-])c2n1 ZINC000569618078 327324317 /nfs/dbraw/zinc/32/43/17/327324317.db2.gz CCXIDDXZYVIADH-UHFFFAOYSA-N -1 3 267.332 2.594 20 30 CFEDHM CCCn1nc(C)c(C([O-])=C(C#N)c2ccccn2)c1C ZINC000150927985 327399846 /nfs/dbraw/zinc/39/98/46/327399846.db2.gz GBIKSQGDEOJIJP-ZDUSSCGKSA-N -1 3 282.347 2.795 20 30 CFEDHM CCc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1[O-] ZINC000362967234 328930493 /nfs/dbraw/zinc/93/04/93/328930493.db2.gz PTLTZQRTUJFLCQ-NSHDSACASA-N -1 3 272.348 2.719 20 30 CFEDHM Cc1noc(C(C)C)c1C([O-])=C(C#N)c1ccccn1 ZINC000041482072 329564474 /nfs/dbraw/zinc/56/44/74/329564474.db2.gz LMFFGASGHMEGCT-NSHDSACASA-N -1 3 269.304 2.992 20 30 CFEDHM C=CCCO[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000580461476 330142160 /nfs/dbraw/zinc/14/21/60/330142160.db2.gz SVJHVDQZMWJSJO-SECBINFHSA-N -1 3 269.728 2.965 20 30 CFEDHM CCC(C#N)(CC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000528193427 330312370 /nfs/dbraw/zinc/31/23/70/330312370.db2.gz KLZRGXDOLIMCNJ-UHFFFAOYSA-N -1 3 282.307 2.589 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000152171663 330630248 /nfs/dbraw/zinc/63/02/48/330630248.db2.gz SIFNBKFVVOWQHZ-MLGOLLRUSA-N -1 3 272.348 2.903 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442797448 330784383 /nfs/dbraw/zinc/78/43/83/330784383.db2.gz IACOESVBIMBCNN-UHFFFAOYSA-N -1 3 288.225 2.779 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000442803774 330784802 /nfs/dbraw/zinc/78/48/02/330784802.db2.gz XPNRFMJFUDKYLN-LLVKDONJSA-N -1 3 263.337 2.875 20 30 CFEDHM C#CCN(C(=O)c1ccc([O-])c(OC)c1)C1CCCCC1 ZINC000490721683 332109300 /nfs/dbraw/zinc/10/93/00/332109300.db2.gz YBZSBQVCZPTQPY-UHFFFAOYSA-N -1 3 287.359 2.809 20 30 CFEDHM C#C[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(F)cc1 ZINC000491395032 332204031 /nfs/dbraw/zinc/20/40/31/332204031.db2.gz QHZNWXJVMLBYIX-AWEZNQCLSA-N -1 3 299.301 2.644 20 30 CFEDHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000491657513 332268749 /nfs/dbraw/zinc/26/87/49/332268749.db2.gz ABYBMKPUDANXPH-LLVKDONJSA-N -1 3 296.273 2.605 20 30 CFEDHM C#C[C@H](CC)/N=C\c1cc(Br)ccc1[O-] ZINC000491739072 332318704 /nfs/dbraw/zinc/31/87/04/332318704.db2.gz SBMKLISQCSDVAQ-ZEVOCZHWSA-N -1 3 266.138 2.985 20 30 CFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ncccc1[O-] ZINC000491806714 332359945 /nfs/dbraw/zinc/35/99/45/332359945.db2.gz RNOFKEDHRVPHHE-UHFFFAOYSA-N -1 3 270.307 2.562 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C\c1ccccc1OCC ZINC000493564604 332445262 /nfs/dbraw/zinc/44/52/62/332445262.db2.gz JMVVVEIXWDUSJO-KTKRTIGZSA-N -1 3 261.321 2.722 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(OCC)cc1 ZINC000493750196 332452516 /nfs/dbraw/zinc/45/25/16/332452516.db2.gz FDDGLBVJODKCFX-JATZPVMKSA-N -1 3 261.321 2.721 20 30 CFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000194732260 333276469 /nfs/dbraw/zinc/27/64/69/333276469.db2.gz FTLBQJPCYKKHQV-UHFFFAOYSA-N -1 3 299.301 2.513 20 30 CFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000576665456 335232373 /nfs/dbraw/zinc/23/23/73/335232373.db2.gz RQPBOYFCKYUUHX-UHFFFAOYSA-N -1 3 293.175 2.574 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC1 ZINC000166466316 519846303 /nfs/dbraw/zinc/84/63/03/519846303.db2.gz HGQIZTIKMIPFCF-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM C[C@H]1OCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091736 620636703 /nfs/dbraw/zinc/63/67/03/620636703.db2.gz KRZPXTHGWCRQMY-IUODEOHRSA-N -1 3 285.343 2.983 20 30 CFEDHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230338387 526260512 /nfs/dbraw/zinc/26/05/12/526260512.db2.gz ZDMDJVRDNWGZEI-QWRGUYRKSA-N -1 3 298.433 2.724 20 30 CFEDHM N#Cc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1F ZINC000336053899 526544992 /nfs/dbraw/zinc/54/49/92/526544992.db2.gz VYCNWCBWUHCBOG-UHFFFAOYSA-N -1 3 274.226 2.794 20 30 CFEDHM C=C1CCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CC1 ZINC000334944384 526899476 /nfs/dbraw/zinc/89/94/76/526899476.db2.gz MFKSRBLQJPMJRR-UHFFFAOYSA-N -1 3 287.359 2.898 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000353180811 527163890 /nfs/dbraw/zinc/16/38/90/527163890.db2.gz NTVYIXQQVNHADG-JTQLQIEISA-N -1 3 289.347 2.906 20 30 CFEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000336447160 527471429 /nfs/dbraw/zinc/47/14/29/527471429.db2.gz PKGIWBRZFOATNY-UHFFFAOYSA-N -1 3 273.317 2.657 20 30 CFEDHM C=C[C@H](CC(=O)NCc1ncccc1[O-])c1ccccc1 ZINC000352517631 527576929 /nfs/dbraw/zinc/57/69/29/527576929.db2.gz QXBWSKREKDURAR-CYBMUJFWSA-N -1 3 282.343 2.763 20 30 CFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000333104404 527770218 /nfs/dbraw/zinc/77/02/18/527770218.db2.gz QOLFUPZDIDIOEF-CQSZACIVSA-N -1 3 284.425 2.568 20 30 CFEDHM CC(C)OCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354472703 528033250 /nfs/dbraw/zinc/03/32/50/528033250.db2.gz UXPZVKISIJQUNH-OAHLLOKOSA-N -1 3 295.342 2.892 20 30 CFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000355091877 528208174 /nfs/dbraw/zinc/20/81/74/528208174.db2.gz AIPPJRBMBGJFOQ-AWEZNQCLSA-N -1 3 294.310 2.748 20 30 CFEDHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329992766 528825622 /nfs/dbraw/zinc/82/56/22/528825622.db2.gz XUXIHCFEGZYJRM-ONGXEEELSA-N -1 3 284.381 2.605 20 30 CFEDHM CC[C@@H](OC1CCCC1)C(=O)[N-]c1nncn1C1CC1 ZINC000329105290 529243799 /nfs/dbraw/zinc/24/37/99/529243799.db2.gz GZIBIHPTOJPHHS-GFCCVEGCSA-N -1 3 278.356 2.939 20 30 CFEDHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C#N)n(C)c2)CC)n1 ZINC000435335196 535777071 /nfs/dbraw/zinc/77/70/71/535777071.db2.gz GIOPMPAAZVWYBJ-NTUHNPAUSA-N -1 3 296.374 2.883 20 30 CFEDHM O=C(c1cocn1)N([O-])Cc1cccc2ccccc21 ZINC000900091609 620636725 /nfs/dbraw/zinc/63/67/25/620636725.db2.gz DDMFUBSMYWCESF-UHFFFAOYSA-N -1 3 268.272 2.859 20 30 CFEDHM CCC[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736423693 574050220 /nfs/dbraw/zinc/05/02/20/574050220.db2.gz NJRIFKODICOGNK-JTQLQIEISA-N -1 3 298.350 2.503 20 30 CFEDHM CCC[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736423693 574050222 /nfs/dbraw/zinc/05/02/22/574050222.db2.gz NJRIFKODICOGNK-JTQLQIEISA-N -1 3 298.350 2.503 20 30 CFEDHM Cc1csc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)n1 ZINC000727653798 574059285 /nfs/dbraw/zinc/05/92/85/574059285.db2.gz ZAQBTENPKVRGHL-WQZKYYTNSA-N -1 3 291.376 2.533 20 30 CFEDHM CCCCCNC(=S)NN=C(C)c1ccc([O-])c(F)c1 ZINC000728425991 574095661 /nfs/dbraw/zinc/09/56/61/574095661.db2.gz RNCYAONBHCAZSH-UHFFFAOYSA-N -1 3 297.399 2.910 20 30 CFEDHM Cc1ccc([O-])c(CN=Nc2ncccc2Cl)n1 ZINC000728781399 574108756 /nfs/dbraw/zinc/10/87/56/574108756.db2.gz TVYYVCZXLBYRRD-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc([O-])cs1 ZINC000731868609 574132908 /nfs/dbraw/zinc/13/29/08/574132908.db2.gz LHWAHYXSXUPGNT-UHFFFAOYSA-N -1 3 272.329 2.598 20 30 CFEDHM C[C@H](CC#N)N(C)Cc1c([O-])ccc2ccncc21 ZINC000728901645 574135453 /nfs/dbraw/zinc/13/54/53/574135453.db2.gz PHUJWUVRCZWGPN-LLVKDONJSA-N -1 3 255.321 2.674 20 30 CFEDHM CCC(CC)[C@H](O)C/N=C\c1c([O-])cccc1OC ZINC000731938105 574136771 /nfs/dbraw/zinc/13/67/71/574136771.db2.gz RAIZCMRWSFMSDQ-SLVCOGOPSA-N -1 3 265.353 2.617 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCN1CCSCC1 ZINC000732714063 574167292 /nfs/dbraw/zinc/16/72/92/574167292.db2.gz QSYXSUTZNJAJRP-XNTDXEJSSA-N -1 3 284.812 2.513 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNCc1cccc(F)c1 ZINC000755652314 574175435 /nfs/dbraw/zinc/17/54/35/574175435.db2.gz UVSYJVNNPJMKKX-UHFFFAOYSA-N -1 3 262.259 2.794 20 30 CFEDHM Cc1ncc(C=CC([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899656 574177044 /nfs/dbraw/zinc/17/70/44/574177044.db2.gz AAYIJDPHQXKCPJ-IHVVCDCBSA-N -1 3 298.371 2.748 20 30 CFEDHM [O-]c1ccccc1C=NNCCCOc1ccccc1 ZINC000729147809 574179336 /nfs/dbraw/zinc/17/93/36/574179336.db2.gz KZFCKMZCOAUXDM-UHFFFAOYSA-N -1 3 270.332 2.785 20 30 CFEDHM Cc1nc(Cl)cc(NN=Cc2cccc(F)c2[O-])n1 ZINC000755743119 574183663 /nfs/dbraw/zinc/18/36/63/574183663.db2.gz JVDVDTAYMPEQHJ-UHFFFAOYSA-N -1 3 280.690 2.729 20 30 CFEDHM Cc1nc(Cl)cc(N=NCc2cccc(F)c2[O-])n1 ZINC000755743119 574183664 /nfs/dbraw/zinc/18/36/64/574183664.db2.gz JVDVDTAYMPEQHJ-UHFFFAOYSA-N -1 3 280.690 2.729 20 30 CFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CCCC1 ZINC000733076323 574186495 /nfs/dbraw/zinc/18/64/95/574186495.db2.gz LUOGVAGCONAPTH-UHFFFAOYSA-N -1 3 280.393 2.672 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC000733080999 574187104 /nfs/dbraw/zinc/18/71/04/574187104.db2.gz JJFOAKRFWHXXFI-WJNPVFEHSA-N -1 3 276.380 2.832 20 30 CFEDHM COc1ccc(NN=Cc2cc(F)ccc2[O-])cc1 ZINC000755800352 574188056 /nfs/dbraw/zinc/18/80/56/574188056.db2.gz AGYSNSSNMZBNEO-UHFFFAOYSA-N -1 3 260.268 2.986 20 30 CFEDHM COc1cc(C=NO[C@@H]2CCCCO2)cc(Cl)c1[O-] ZINC000755820203 574189699 /nfs/dbraw/zinc/18/96/99/574189699.db2.gz IHGRHXPVTXEXOF-GFCCVEGCSA-N -1 3 285.727 2.931 20 30 CFEDHM COc1cccc([O-])c1/C=N\CC1CCSCC1 ZINC000733205295 574210876 /nfs/dbraw/zinc/21/08/76/574210876.db2.gz QQADSHOVJVHYOR-GDNBJRDFSA-N -1 3 265.378 2.963 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccon1 ZINC000747864945 574216072 /nfs/dbraw/zinc/21/60/72/574216072.db2.gz UUYGYIJGPVQVSW-AWNIVKPZSA-N -1 3 281.109 2.762 20 30 CFEDHM C[C@@H](OC(=O)c1ccc([O-])cc1O)c1ccc(C#N)cc1 ZINC000748679956 574262584 /nfs/dbraw/zinc/26/25/84/574262584.db2.gz MMOJRRZQHGVJQW-SNVBAGLBSA-N -1 3 283.283 2.887 20 30 CFEDHM C[C@H](OC(=O)c1ccc([O-])cc1O)c1ccc(C#N)cc1 ZINC000748679954 574262630 /nfs/dbraw/zinc/26/26/30/574262630.db2.gz MMOJRRZQHGVJQW-JTQLQIEISA-N -1 3 283.283 2.887 20 30 CFEDHM C=CCCOCC/N=C/c1ccc(OCC)cc1[O-] ZINC000756841205 574267213 /nfs/dbraw/zinc/26/72/13/574267213.db2.gz OTXFSWVDGMSBGX-FOWTUZBSSA-N -1 3 263.337 2.803 20 30 CFEDHM C#CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000756846564 574268200 /nfs/dbraw/zinc/26/82/00/574268200.db2.gz KQERXVKMIJICTP-PBGVMVHZSA-N -1 3 294.354 2.771 20 30 CFEDHM C#CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000756846560 574268314 /nfs/dbraw/zinc/26/83/14/574268314.db2.gz KQERXVKMIJICTP-LELXDKESSA-N -1 3 294.354 2.771 20 30 CFEDHM C[S@](=O)Cc1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000734366563 574283742 /nfs/dbraw/zinc/28/37/42/574283742.db2.gz XEMKUZXDZXJUIF-FQEVSTJZSA-N -1 3 289.356 2.727 20 30 CFEDHM Cc1ncc2c(n1)CCC[C@@H]2/N=C/c1ccccc1[O-] ZINC000734752207 574300936 /nfs/dbraw/zinc/30/09/36/574300936.db2.gz BBCSNDAMTRVXHJ-RMNBPEERSA-N -1 3 267.332 2.987 20 30 CFEDHM CCCCCC[C@H](C)NN=Cc1c([O-])c(C)ncc1CO ZINC000743449798 574306131 /nfs/dbraw/zinc/30/61/31/574306131.db2.gz BKMRXJLEEKIMMY-LBPRGKRZSA-N -1 3 293.411 2.870 20 30 CFEDHM [O-]c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)nc1 ZINC000755654828 574310603 /nfs/dbraw/zinc/31/06/03/574310603.db2.gz AAPBSUVLQPIIOP-UHFFFAOYSA-N -1 3 295.264 2.930 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)CC(C)(C)C ZINC000735228785 574316011 /nfs/dbraw/zinc/31/60/11/574316011.db2.gz HUWYKSFCPRXETK-OKHBPPCESA-N -1 3 265.353 2.617 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206623 574316343 /nfs/dbraw/zinc/31/63/43/574316343.db2.gz MGUDXPMEMUJDTC-GJBLVYBDSA-N -1 3 286.331 2.699 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000735206174 574316447 /nfs/dbraw/zinc/31/64/47/574316447.db2.gz AKJNVPQPZXBQTJ-KADSFNECSA-N -1 3 256.305 2.690 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207229 574316498 /nfs/dbraw/zinc/31/64/98/574316498.db2.gz FVJAAMHZDFNSRF-KVEVGEHQSA-N -1 3 286.331 2.699 20 30 CFEDHM C=C(Br)CSc1ccccc1-c1nnn[n-]1 ZINC000735397667 574323355 /nfs/dbraw/zinc/32/33/55/574323355.db2.gz BRIDWZWDGNHXAY-UHFFFAOYSA-N -1 3 297.181 2.867 20 30 CFEDHM C=C(Br)CSc1ccccc1-c1nn[n-]n1 ZINC000735397667 574323357 /nfs/dbraw/zinc/32/33/57/574323357.db2.gz BRIDWZWDGNHXAY-UHFFFAOYSA-N -1 3 297.181 2.867 20 30 CFEDHM C=CCCSCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735416386 574324744 /nfs/dbraw/zinc/32/47/44/574324744.db2.gz IBPBHAOFBAZLPR-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCCSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735416386 574324745 /nfs/dbraw/zinc/32/47/45/574324745.db2.gz IBPBHAOFBAZLPR-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM N#Cc1ccc(Oc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000750530036 574345951 /nfs/dbraw/zinc/34/59/51/574345951.db2.gz BMUQYSQMKRKFQR-UHFFFAOYSA-N -1 3 263.256 2.999 20 30 CFEDHM C#CCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000725878688 574347815 /nfs/dbraw/zinc/34/78/15/574347815.db2.gz NSYVVAFOUKXLSV-UHFFFAOYSA-N -1 3 279.339 2.540 20 30 CFEDHM CC(Cc1ccsc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736066969 574350083 /nfs/dbraw/zinc/35/00/83/574350083.db2.gz RXKBYWBARUUEEH-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM CC(Cc1ccsc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736066969 574350084 /nfs/dbraw/zinc/35/00/84/574350084.db2.gz RXKBYWBARUUEEH-UHFFFAOYSA-N -1 3 298.375 2.959 20 30 CFEDHM CS[C@@H]1CC[C@@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000743041482 574352159 /nfs/dbraw/zinc/35/21/59/574352159.db2.gz AFDPGSYJKNQWDF-GOLSEZCXSA-N -1 3 267.350 2.506 20 30 CFEDHM N#CCCSc1ccccc1[N-]C(=O)c1ncccn1 ZINC000743339505 574358757 /nfs/dbraw/zinc/35/87/57/574358757.db2.gz SAVUIIUELQVZET-UHFFFAOYSA-N -1 3 284.344 2.735 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1ccc(O)c([O-])c1O ZINC000750938655 574364073 /nfs/dbraw/zinc/36/40/73/574364073.db2.gz LAOYBVUMSYOGGG-UHFFFAOYSA-N -1 3 276.267 2.697 20 30 CFEDHM Cn1nnc2cc(/C=C\C(=O)c3cccc([O-])c3)ccc21 ZINC000751031716 574368610 /nfs/dbraw/zinc/36/86/10/574368610.db2.gz BRYFFGKHIJSPHA-VURMDHGXSA-N -1 3 279.299 2.570 20 30 CFEDHM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1=COCC1 ZINC000744016086 574375841 /nfs/dbraw/zinc/37/58/41/574375841.db2.gz IVBHNMMZIDSYIP-ZDUSSCGKSA-N -1 3 294.310 2.672 20 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-1 3 291.347 2.552 20 30 CFEDHM CCCC(CCC)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821014298 607253863 /nfs/dbraw/zinc/25/38/63/607253863.db2.gz DHHUNBSBZODLPF-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM CCCC(CCC)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821014298 607253864 /nfs/dbraw/zinc/25/38/64/607253864.db2.gz DHHUNBSBZODLPF-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM Cc1c(NCc2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822123066 607257729 /nfs/dbraw/zinc/25/77/29/607257729.db2.gz UCJOTDNOQJYQHJ-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(NCc2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822123066 607257730 /nfs/dbraw/zinc/25/77/30/607257730.db2.gz UCJOTDNOQJYQHJ-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM O=C(c1c[nH]cn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096386 620637792 /nfs/dbraw/zinc/63/77/92/620637792.db2.gz BSCIWMDPFVLVJS-UHFFFAOYSA-N -1 3 286.118 2.748 20 30 CFEDHM N#Cc1csc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000821344986 598194276 /nfs/dbraw/zinc/19/42/76/598194276.db2.gz BVEREPRWARQHJI-UHFFFAOYSA-N -1 3 272.329 2.608 20 30 CFEDHM N#CCSCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000822814494 599690019 /nfs/dbraw/zinc/69/00/19/599690019.db2.gz GBBXOQIQTFQHEV-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM N#CCSCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000822814494 599690020 /nfs/dbraw/zinc/69/00/20/599690020.db2.gz GBBXOQIQTFQHEV-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM CC(C)(CCC#N)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824152358 607886084 /nfs/dbraw/zinc/88/60/84/607886084.db2.gz BTSSOOVLNPZKBE-UHFFFAOYSA-N -1 3 283.339 2.594 20 30 CFEDHM CC(C)(CCC#N)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824152358 607886085 /nfs/dbraw/zinc/88/60/85/607886085.db2.gz BTSSOOVLNPZKBE-UHFFFAOYSA-N -1 3 283.339 2.594 20 30 CFEDHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832935353 601298603 /nfs/dbraw/zinc/29/86/03/601298603.db2.gz ZZDQQBDQWBLZOL-INIZCTEOSA-N -1 3 298.317 2.921 20 30 CFEDHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000832882901 601299494 /nfs/dbraw/zinc/29/94/94/601299494.db2.gz OHHAOLDDYCXJHG-MRXNPFEDSA-N -1 3 298.317 2.921 20 30 CFEDHM C#CCN(Cc1cc(C(=O)[O-])oc1CC)C1CCCC1 ZINC000825614271 601664247 /nfs/dbraw/zinc/66/42/47/601664247.db2.gz KQLBXFYAFVMYBJ-UHFFFAOYSA-N -1 3 275.348 2.918 20 30 CFEDHM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C(C)(C)C1 ZINC000833629170 604610731 /nfs/dbraw/zinc/61/07/31/604610731.db2.gz FWWVXJBJLWNFBF-NSHDSACASA-N -1 3 272.348 2.877 20 30 CFEDHM C#CC[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000833360104 604638221 /nfs/dbraw/zinc/63/82/21/604638221.db2.gz CSJONXZOWUANEK-AWEZNQCLSA-N -1 3 268.316 2.567 20 30 CFEDHM C[C@@H](CN(CC#Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000833516562 604972663 /nfs/dbraw/zinc/97/26/63/604972663.db2.gz PJIVXKRLEIGYHM-LBPRGKRZSA-N -1 3 291.778 2.877 20 30 CFEDHM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1C ZINC000833615923 605212851 /nfs/dbraw/zinc/21/28/51/605212851.db2.gz NALOJRSRGPCDIH-VXGBXAGGSA-N -1 3 272.348 2.734 20 30 CFEDHM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1C ZINC000833615920 605213422 /nfs/dbraw/zinc/21/34/22/605213422.db2.gz 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20 30 CFEDHM CCCCCCN([O-])C(=O)C(C)(C)n1cnc(C)c1 ZINC000904206877 621544100 /nfs/dbraw/zinc/54/41/00/621544100.db2.gz LYJBEIUBXRKQMF-UHFFFAOYSA-N -1 3 267.373 2.725 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H](C)c1cnn(C)c1 ZINC000904206731 621544214 /nfs/dbraw/zinc/54/42/14/621544214.db2.gz FUJSZSRCEFIBRD-LBPRGKRZSA-N -1 3 267.373 2.712 20 30 CFEDHM CCCCN([O-])C(=O)CCC(=O)c1cccs1 ZINC000904207809 621544576 /nfs/dbraw/zinc/54/45/76/621544576.db2.gz CLIFZDRRMGJRPD-UHFFFAOYSA-N -1 3 255.339 2.729 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC000904208171 621544599 /nfs/dbraw/zinc/54/45/99/621544599.db2.gz ORIIULWKWHMDJS-LBPRGKRZSA-N -1 3 298.408 2.520 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)Oc1cccc(F)c1 ZINC000904208896 621544962 /nfs/dbraw/zinc/54/49/62/621544962.db2.gz LZVBAQOJSGXBNP-JTQLQIEISA-N -1 3 255.289 2.611 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000904210067 621545022 /nfs/dbraw/zinc/54/50/22/621545022.db2.gz FRMNYPJHWUXGAM-HNNXBMFYSA-N -1 3 287.363 2.545 20 30 CFEDHM CCCCN([O-])C(=O)c1cnc(-c2ccncc2)s1 ZINC000904209938 621545111 /nfs/dbraw/zinc/54/51/11/621545111.db2.gz BAQMEKHECJDLNN-UHFFFAOYSA-N -1 3 277.349 2.837 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](OCC)c1ccccc1 ZINC000904209103 621545135 /nfs/dbraw/zinc/54/51/35/621545135.db2.gz UGAABIGBRFOIIN-ZDUSSCGKSA-N -1 3 251.326 2.782 20 30 CFEDHM CC1(C(=O)N([O-])Cc2ccccc2Cl)CCOCC1 ZINC000904188656 621545523 /nfs/dbraw/zinc/54/55/23/621545523.db2.gz IOHBQXSZQCASMC-UHFFFAOYSA-N -1 3 283.755 2.875 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000904210713 621545551 /nfs/dbraw/zinc/54/55/51/621545551.db2.gz YQRYSGCZRCIJFR-CHWSQXEVSA-N -1 3 291.347 2.579 20 30 CFEDHM C#CCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190427 621545897 /nfs/dbraw/zinc/54/58/97/621545897.db2.gz LOBKWHSTLBCAMG-UHFFFAOYSA-N -1 3 251.713 2.861 20 30 CFEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000904192184 621546483 /nfs/dbraw/zinc/54/64/83/621546483.db2.gz CUWUTOZTGZTSMG-MFKMUULPSA-N -1 3 283.755 2.873 20 30 CFEDHM CCOC(=O)[C@H](CC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193854 621547178 /nfs/dbraw/zinc/54/71/78/621547178.db2.gz XEXXYJTVJDIBHV-LLVKDONJSA-N -1 3 299.754 2.647 20 30 CFEDHM O=C([C@@H]1CC12CC2)N([O-])Cc1ccccc1Cl ZINC000904193883 621547236 /nfs/dbraw/zinc/54/72/36/621547236.db2.gz XZRPFOHWIXPQPP-JTQLQIEISA-N -1 3 251.713 2.858 20 30 CFEDHM C[C@@H]1COCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197512 621548115 /nfs/dbraw/zinc/54/81/15/621548115.db2.gz FVPPLSACTJGMKU-ZBFHGGJFSA-N -1 3 291.391 2.900 20 30 CFEDHM CC(=O)OC(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904197376 621548272 /nfs/dbraw/zinc/54/82/72/621548272.db2.gz BATJQCKTGZPBNB-UHFFFAOYSA-N -1 3 293.363 2.569 20 30 CFEDHM C[C@@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC000904197862 621548665 /nfs/dbraw/zinc/54/86/65/621548665.db2.gz OZCDRETYJIRTIY-HIFRSBDPSA-N -1 3 277.364 2.652 20 30 CFEDHM CCO[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201348 621549277 /nfs/dbraw/zinc/54/92/77/621549277.db2.gz OHMJAAUPAJXVJB-ZDUSSCGKSA-N -1 3 265.353 2.652 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000904205043 621550464 /nfs/dbraw/zinc/55/04/64/621550464.db2.gz YPBZLRWKPPPSGK-NEPJUHHUSA-N -1 3 255.358 2.790 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H]1CCc2sccc2C1=O ZINC000904215661 621551675 /nfs/dbraw/zinc/55/16/75/621551675.db2.gz IVSCEUOAWQGRBE-JTQLQIEISA-N -1 3 281.377 2.901 20 30 CFEDHM CCCCN([O-])C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000904212299 621553891 /nfs/dbraw/zinc/55/38/91/621553891.db2.gz NXLPWVFLSGJRMN-UHFFFAOYSA-N -1 3 276.336 2.734 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1COc2cc(OC)ccc21 ZINC000904212896 621554403 /nfs/dbraw/zinc/55/44/03/621554403.db2.gz XERRAYVZSMOQOE-NSHDSACASA-N -1 3 279.336 2.579 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)c1ccc2c(c1)OCO2 ZINC000904213661 621554460 /nfs/dbraw/zinc/55/44/60/621554460.db2.gz WHZLCKGTOKHFTD-JTQLQIEISA-N -1 3 265.309 2.537 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000904214704 621554816 /nfs/dbraw/zinc/55/48/16/621554816.db2.gz KCWGAVLTCKMJJJ-LLVKDONJSA-N -1 3 269.316 2.749 20 30 CFEDHM CCCCN([O-])C(=O)c1sc(COCC)nc1C ZINC000904214713 621555030 /nfs/dbraw/zinc/55/50/30/621555030.db2.gz KKFNYLVJRBAFKC-UHFFFAOYSA-N -1 3 272.370 2.620 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2CCCCC2)c1[O-] ZINC000027052155 622048109 /nfs/dbraw/zinc/04/81/09/622048109.db2.gz HUSNENFYVWIECT-CXUHLZMHSA-N -1 3 262.353 2.587 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C)c1 ZINC000906917080 622065890 /nfs/dbraw/zinc/06/58/90/622065890.db2.gz RIQNPXKELGCBQQ-LBPRGKRZSA-N -1 3 296.317 2.841 20 30 CFEDHM C=CCCC(CC)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819734081 622548959 /nfs/dbraw/zinc/54/89/59/622548959.db2.gz HTBKKTOHWQXILB-UHFFFAOYSA-N -1 3 284.367 2.689 20 30 CFEDHM C=CCCC(CC)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000819734081 622548963 /nfs/dbraw/zinc/54/89/63/622548963.db2.gz HTBKKTOHWQXILB-UHFFFAOYSA-N -1 3 284.367 2.689 20 30 CFEDHM CC1(C)CCC[C@H](OC(=O)c2cc([O-])cc(C#N)c2)C1=O ZINC000840459675 622885653 /nfs/dbraw/zinc/88/56/53/622885653.db2.gz HMJCYBQLECBQNP-ZDUSSCGKSA-N -1 3 287.315 2.568 20 30 CFEDHM CCCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000061046608 623178136 /nfs/dbraw/zinc/17/81/36/623178136.db2.gz WAQQFEZBKDVXNU-UHFFFAOYSA-N -1 3 290.363 2.529 20 30 CFEDHM CC1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000063427527 623349325 /nfs/dbraw/zinc/34/93/25/623349325.db2.gz UWEHPJNEYPQFGK-UHFFFAOYSA-N -1 3 280.393 2.672 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(C)c(Cl)c1 ZINC000824033601 623437825 /nfs/dbraw/zinc/43/78/25/623437825.db2.gz PQDPIOGSOGHXBI-SNVBAGLBSA-N -1 3 253.729 2.813 20 30 CFEDHM CC(CCC(F)(F)F)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824400661 623501253 /nfs/dbraw/zinc/50/12/53/623501253.db2.gz KAWVMBPCCZOYRF-UHFFFAOYSA-N -1 3 298.272 2.997 20 30 CFEDHM CC(CCC(F)(F)F)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824400661 623501257 /nfs/dbraw/zinc/50/12/57/623501257.db2.gz KAWVMBPCCZOYRF-UHFFFAOYSA-N -1 3 298.272 2.997 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccnn1C ZINC000913617850 623532498 /nfs/dbraw/zinc/53/24/98/623532498.db2.gz WKMWPGBYFFEVKO-FBHKUJJOSA-N -1 3 272.279 2.648 20 30 CFEDHM N#CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826382185 623803405 /nfs/dbraw/zinc/80/34/05/623803405.db2.gz RUHDKQLVQYMGMY-UHFFFAOYSA-N -1 3 285.254 2.501 20 30 CFEDHM N#CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826382185 623803411 /nfs/dbraw/zinc/80/34/11/623803411.db2.gz RUHDKQLVQYMGMY-UHFFFAOYSA-N -1 3 285.254 2.501 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccco1 ZINC000915113196 623984577 /nfs/dbraw/zinc/98/45/77/623984577.db2.gz QLQJUJONFGFBID-CUTJPZLCSA-N -1 3 265.696 2.791 20 30 CFEDHM N#Cc1cccc(O[N-]C(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000828147774 624186179 /nfs/dbraw/zinc/18/61/79/624186179.db2.gz GAPQCYLUDZIIDH-NSHDSACASA-N -1 3 280.274 2.794 20 30 CFEDHM O=c1c2ccccc2ncn1N=Cc1cc(Cl)ccc1[O-] ZINC000916370073 624241281 /nfs/dbraw/zinc/24/12/81/624241281.db2.gz SWCBUBFOGASSOR-UHFFFAOYSA-N -1 3 299.717 2.638 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2)nc(C)n1 ZINC000916880160 624290365 /nfs/dbraw/zinc/29/03/65/624290365.db2.gz MPJMLHZNQISNPI-CDNLZTBQSA-N -1 3 277.327 2.983 20 30 CFEDHM COc1cc(C)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000917558235 624356477 /nfs/dbraw/zinc/35/64/77/624356477.db2.gz KDNVIBHJZUFWMS-UHFFFAOYSA-N -1 3 286.331 2.656 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCCC2CCCC2)c1[O-] ZINC000918155002 624424126 /nfs/dbraw/zinc/42/41/26/624424126.db2.gz RNHBUHTWPWBCGH-LICLKQGHSA-N -1 3 276.380 2.977 20 30 CFEDHM C=C(Cl)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919327001 624558190 /nfs/dbraw/zinc/55/81/90/624558190.db2.gz WCPICALKCUKPCV-UHFFFAOYSA-N -1 3 266.684 2.887 20 30 CFEDHM C=C(Cl)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919327001 624558192 /nfs/dbraw/zinc/55/81/92/624558192.db2.gz WCPICALKCUKPCV-UHFFFAOYSA-N -1 3 266.684 2.887 20 30 CFEDHM C=C[C@H](CC)CC(=O)NCc1c([O-])cccc1F ZINC000830179639 624659650 /nfs/dbraw/zinc/65/96/50/624659650.db2.gz BJEOMBCQBOGAAX-SNVBAGLBSA-N -1 3 251.301 2.750 20 30 CFEDHM C=CC[C@H](CC)NC(=O)NCc1c([O-])cccc1F ZINC000922334849 626274093 /nfs/dbraw/zinc/27/40/93/626274093.db2.gz FUOGMTGLKAYBCF-JTQLQIEISA-N -1 3 266.316 2.685 20 30 CFEDHM CC(F)(F)CCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000922621495 626325931 /nfs/dbraw/zinc/32/59/31/626325931.db2.gz LYZDCCVKESIQMO-UHFFFAOYSA-N -1 3 269.247 2.856 20 30 CFEDHM CC(C)(C#N)CCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838144596 626488095 /nfs/dbraw/zinc/48/80/95/626488095.db2.gz JNNBCIHPISIRTF-UHFFFAOYSA-N -1 3 279.311 2.947 20 30 CFEDHM C=CCO[N-]C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000839789256 626555482 /nfs/dbraw/zinc/55/54/82/626555482.db2.gz SKQAKPXBELYYII-CQSZACIVSA-N -1 3 261.321 2.510 20 30 CFEDHM N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000759720659 626686925 /nfs/dbraw/zinc/68/69/25/626686925.db2.gz QZWZMFHEBADAQM-HNNXBMFYSA-N -1 3 299.374 2.609 20 30 CFEDHM CC(=[NH+][N-]c1cnn(C)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000761881482 626869191 /nfs/dbraw/zinc/86/91/91/626869191.db2.gz OYMJGNHOMCTJCN-UHFFFAOYSA-N -1 3 299.378 2.562 20 30 CFEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCc2ccccc2C1 ZINC000763180232 626968715 /nfs/dbraw/zinc/96/87/15/626968715.db2.gz ITZQKORVKOIICR-CYBMUJFWSA-N -1 3 287.388 2.819 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2F)n1 ZINC000763210100 626971073 /nfs/dbraw/zinc/97/10/73/626971073.db2.gz VIFUUBSBIFAKGR-UHFFFAOYSA-N -1 3 289.335 2.935 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cccc(C#N)c2C)c1[O-] ZINC000769775701 627473296 /nfs/dbraw/zinc/47/32/96/627473296.db2.gz ZYJPWZUEIDRJMR-UHFFFAOYSA-N -1 3 281.315 2.519 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNCC(F)(F)F ZINC000769822666 627478891 /nfs/dbraw/zinc/47/88/91/627478891.db2.gz WDBIXSCDJLGCCD-UHFFFAOYSA-N -1 3 252.623 2.531 20 30 CFEDHM O=[N+]([O-])c1cc(NN=Cc2ccccc2[O-])ccc1F ZINC000769823579 627479150 /nfs/dbraw/zinc/47/91/50/627479150.db2.gz XUSCSSPPFMENKJ-UHFFFAOYSA-N -1 3 275.239 2.886 20 30 CFEDHM O=[N+]([O-])c1cc(NN=Cc2cccc(O)c2[O-])ccc1F ZINC000769831074 627480414 /nfs/dbraw/zinc/48/04/14/627480414.db2.gz UMKOJKWOGNSFHY-UHFFFAOYSA-N -1 3 291.238 2.591 20 30 CFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000770394097 627518550 /nfs/dbraw/zinc/51/85/50/627518550.db2.gz WZNSKKSPFIJOQO-SNVBAGLBSA-N -1 3 289.759 2.559 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCCc2ccc(Cl)cc21 ZINC000774409962 627921841 /nfs/dbraw/zinc/92/18/41/627921841.db2.gz HLOUFBOVXCWCBF-UHFFFAOYSA-N -1 3 274.755 2.648 20 30 CFEDHM Cn1[n-]ccc1=NN=C1C[C@@H](c2ccccc2)C1(C)C ZINC000774411778 627921860 /nfs/dbraw/zinc/92/18/60/627921860.db2.gz NTRDXCFXYKRWGC-ZDUSSCGKSA-N -1 3 268.364 2.824 20 30 CFEDHM COc1ccc(C2CCC(=NN=c3cc[n-]n3C)CC2)cc1 ZINC000774408239 627921876 /nfs/dbraw/zinc/92/18/76/627921876.db2.gz BDOWFPWXYKDDGS-UHFFFAOYSA-N -1 3 298.390 2.976 20 30 CFEDHM COc1c([O-])c(CNc2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000774820603 627967550 /nfs/dbraw/zinc/96/75/50/627967550.db2.gz FAMQVEWLBDUXIM-UHFFFAOYSA-N -1 3 299.286 2.793 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2nc3cc(F)ccc3[nH]2)c1O ZINC000775236061 628001794 /nfs/dbraw/zinc/00/17/94/628001794.db2.gz XOOFOJXPZMXZMV-UHFFFAOYSA-N -1 3 287.250 2.569 20 30 CFEDHM CC(=NNc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000779808537 628408762 /nfs/dbraw/zinc/40/87/62/628408762.db2.gz LLKDKSPBOPTHCP-UHFFFAOYSA-N -1 3 261.712 2.699 20 30 CFEDHM COC(=O)c1cccc(NN=Cc2ccc([O-])c(F)c2)c1 ZINC000779826682 628411714 /nfs/dbraw/zinc/41/17/14/628411714.db2.gz OBYYUQOLHRKVOG-UHFFFAOYSA-N -1 3 288.278 2.764 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@H](C#N)C2CC2)cc1 ZINC000780022564 628427431 /nfs/dbraw/zinc/42/74/31/628427431.db2.gz FSUJAKLIHAYDLX-GFCCVEGCSA-N -1 3 264.275 2.505 20 30 CFEDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)c([O-])c1O ZINC000780918172 628504715 /nfs/dbraw/zinc/50/47/15/628504715.db2.gz RIEMEVGBWOCHQY-UHFFFAOYSA-N -1 3 282.299 2.839 20 30 CFEDHM CC[C@@H](C#N)OC(=O)c1cccc(Br)c1[O-] ZINC000781176245 628529571 /nfs/dbraw/zinc/52/95/71/628529571.db2.gz BQYZGFUYQJXVIW-ZETCQYMHSA-N -1 3 284.109 2.614 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@](C)(C#N)CC(C)C ZINC000784200817 628790575 /nfs/dbraw/zinc/79/05/75/628790575.db2.gz JGEBRNFPIQPTAN-AWEZNQCLSA-N -1 3 295.333 2.926 20 30 CFEDHM CC(C)(C)c1ccc([C@@H](C#N)[N-]C(=O)C(F)F)cc1 ZINC000787342420 629008074 /nfs/dbraw/zinc/00/80/74/629008074.db2.gz RWIVPTZOXDBCJE-LLVKDONJSA-N -1 3 266.291 2.930 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NNCCc1ccncc1 ZINC000789097163 629126283 /nfs/dbraw/zinc/12/62/83/629126283.db2.gz FISZMDSDHQELMT-UHFFFAOYSA-N -1 3 275.739 2.607 20 30 CFEDHM CC(=NNCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000789124977 629128233 /nfs/dbraw/zinc/12/82/33/629128233.db2.gz PFOGMANKJJBKNQ-UHFFFAOYSA-N -1 3 289.766 2.997 20 30 CFEDHM C#CCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792198347 629409551 /nfs/dbraw/zinc/40/95/51/629409551.db2.gz LUNJEPRMGIANKN-UHFFFAOYSA-N -1 3 253.301 2.689 20 30 CFEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccc2c(c1)CCCC2 ZINC000792984588 629472840 /nfs/dbraw/zinc/47/28/40/629472840.db2.gz CZTWDTUHFICIPO-UHFFFAOYSA-N -1 3 292.346 2.678 20 30 CFEDHM COc1ccc(CNN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794496676 629651167 /nfs/dbraw/zinc/65/11/67/629651167.db2.gz MQRIDZROJUNHCG-UHFFFAOYSA-N -1 3 292.285 2.803 20 30 CFEDHM Cc1ccc(NN=Cc2c(F)ccc([O-])c2F)nc1 ZINC000794505604 629651780 /nfs/dbraw/zinc/65/17/80/629651780.db2.gz DJCQLPPSBNLHCW-UHFFFAOYSA-N -1 3 263.247 2.820 20 30 CFEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccncc1 ZINC000794926269 629705577 /nfs/dbraw/zinc/70/55/77/629705577.db2.gz KOWZPHHQINIFBM-IWQZZHSRSA-N -1 3 261.227 2.962 20 30 CFEDHM CC(N=Nc1cccc(F)n1)c1ccc(F)cc1[O-] ZINC000795007448 629722762 /nfs/dbraw/zinc/72/27/62/629722762.db2.gz ZYZKNRFQDVHGSH-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1occ2c1CCC2 ZINC000796789677 629967664 /nfs/dbraw/zinc/96/76/64/629967664.db2.gz PFLZICVIGVGPBB-AWEZNQCLSA-N -1 3 294.310 2.729 20 30 CFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797456923 630069072 /nfs/dbraw/zinc/06/90/72/630069072.db2.gz URPKJMXCRZJKHJ-SECBINFHSA-N -1 3 292.187 2.684 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C(F)(F)F)c1[O-] ZINC000800790216 630404224 /nfs/dbraw/zinc/40/42/24/630404224.db2.gz GJJPAKSXUWIVRF-ZWSORDCHSA-N -1 3 290.285 2.595 20 30 CFEDHM C=CCO[N-]C(=O)Nc1nnc(CCCCC)s1 ZINC000836214519 630773113 /nfs/dbraw/zinc/77/31/13/630773113.db2.gz SNKFUPLHVIPSNW-UHFFFAOYSA-N -1 3 270.358 2.510 20 30 CFEDHM C#Cc1cncc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000807151775 630862632 /nfs/dbraw/zinc/86/26/32/630862632.db2.gz OPUFHPKIFZPCPP-UHFFFAOYSA-N -1 3 272.691 2.674 20 30 CFEDHM N#Cc1c([N-]C(=O)c2scnc2Cl)n[nH]c1C1CC1 ZINC000807698641 630903771 /nfs/dbraw/zinc/90/37/71/630903771.db2.gz BALHNTUDBPQQQF-UHFFFAOYSA-N -1 3 293.739 2.521 20 30 CFEDHM C=CCO[N-]C(=O)CCc1ccc(OCCC)cc1 ZINC000837048439 630945872 /nfs/dbraw/zinc/94/58/72/630945872.db2.gz RYHWYOGSHYJVJA-UHFFFAOYSA-N -1 3 263.337 2.642 20 30 CFEDHM C=CCO[N-]C(=O)Cc1cccc(Br)c1C ZINC000837049051 630946167 /nfs/dbraw/zinc/94/61/67/630946167.db2.gz XLIJYRFYWASZDT-UHFFFAOYSA-N -1 3 284.153 2.534 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnccn1 ZINC000809155505 631090495 /nfs/dbraw/zinc/09/04/95/631090495.db2.gz 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/nfs/dbraw/zinc/05/01/66/781050166.db2.gz UDKUHRJUXZVYJS-LBPRGKRZSA-N -1 3 275.348 2.829 20 30 CFEDHM N#Cc1cc(F)cc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241660147 781053048 /nfs/dbraw/zinc/05/30/48/781053048.db2.gz ILFGNPFVTGRZQT-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cc(F)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241660147 781053057 /nfs/dbraw/zinc/05/30/57/781053057.db2.gz ILFGNPFVTGRZQT-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM COc1cccc(-c2cc(-c3nnn[n-]3)ccc2F)c1C#N ZINC001242301286 781381234 /nfs/dbraw/zinc/38/12/34/781381234.db2.gz HGHKJJXQLNLEMP-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cccc(-c2cc(-c3nn[n-]n3)ccc2F)c1C#N ZINC001242301286 781381245 /nfs/dbraw/zinc/38/12/45/781381245.db2.gz HGHKJJXQLNLEMP-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001242316719 781394509 /nfs/dbraw/zinc/39/45/09/781394509.db2.gz WKFYFTBGMUJOBK-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001242316719 781394514 /nfs/dbraw/zinc/39/45/14/781394514.db2.gz WKFYFTBGMUJOBK-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM COc1cc(-c2ccc(/C(C)=N/[O-])cc2)c(OC)cn1 ZINC001242428884 781494254 /nfs/dbraw/zinc/49/42/54/781494254.db2.gz HUCVOVZWCTWPDA-LICLKQGHSA-N -1 3 272.304 2.964 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001242479952 781533852 /nfs/dbraw/zinc/53/38/52/781533852.db2.gz SJKBXSFNZIKREO-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001242479952 781533855 /nfs/dbraw/zinc/53/38/55/781533855.db2.gz SJKBXSFNZIKREO-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242542951 781581747 /nfs/dbraw/zinc/58/17/47/781581747.db2.gz UQXNPRSBWAPFNK-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242542951 781581758 /nfs/dbraw/zinc/58/17/58/781581758.db2.gz UQXNPRSBWAPFNK-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM N#Cc1cc(-c2ccc(N3CCOCC3)c(F)c2)ccc1[O-] ZINC001242565091 781603165 /nfs/dbraw/zinc/60/31/65/781603165.db2.gz LHARHEWBIIBHNS-UHFFFAOYSA-N -1 3 298.317 2.907 20 30 CFEDHM N#Cc1cc(-c2cc3nc[nH]c3cc2F)ccc1[O-] ZINC001242566656 781606167 /nfs/dbraw/zinc/60/61/67/781606167.db2.gz JVAFXUFOWQLVGB-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM N#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C1CCCC1 ZINC001119605070 781835106 /nfs/dbraw/zinc/83/51/06/781835106.db2.gz LWXAZPPQPSJXHP-ZDUSSCGKSA-N -1 3 278.302 2.977 20 30 CFEDHM N#Cc1nccnc1-c1cc([O-])cc(OC(F)(F)F)c1 ZINC001242986523 781901192 /nfs/dbraw/zinc/90/11/92/781901192.db2.gz LSXBTNJVXOENJP-UHFFFAOYSA-N -1 3 281.193 2.619 20 30 CFEDHM Cc1cnc(-c2cc([O-])cc(OC(F)(F)F)c2)c(C#N)n1 ZINC001242986725 781901793 /nfs/dbraw/zinc/90/17/93/781901793.db2.gz ZXVCVEVFONNGEC-UHFFFAOYSA-N -1 3 295.220 2.928 20 30 CFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C(C)C ZINC000594745432 349486463 /nfs/dbraw/zinc/48/64/63/349486463.db2.gz ZIMSTLRUUXAHBY-UHFFFAOYSA-N -1 3 294.401 2.768 20 30 CFEDHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000594814631 349488410 /nfs/dbraw/zinc/48/84/10/349488410.db2.gz WTEJOIMOPIRKEB-SECBINFHSA-N -1 3 286.422 2.723 20 30 CFEDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425543921 529565002 /nfs/dbraw/zinc/56/50/02/529565002.db2.gz ZWQFBPHRQHXBFJ-GFCCVEGCSA-N -1 3 296.374 2.809 20 30 CFEDHM C[C@@]1(C#N)CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000595841895 349752952 /nfs/dbraw/zinc/75/29/52/349752952.db2.gz PGAXYWCHPRSESC-KRWDZBQOSA-N -1 3 294.358 2.585 20 30 CFEDHM CC(C)C[C@H](CCO)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596144883 349807970 /nfs/dbraw/zinc/80/79/70/349807970.db2.gz KYMFPRBMRYTPTA-VIFPVBQESA-N -1 3 287.816 2.547 20 30 CFEDHM CC(C)[C@H]1OCCC[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596153032 349810209 /nfs/dbraw/zinc/81/02/09/349810209.db2.gz WIBIWVQQTNZCGF-MWLCHTKSSA-N -1 3 299.827 2.953 20 30 CFEDHM COc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000075504774 347080334 /nfs/dbraw/zinc/08/03/34/347080334.db2.gz JJGVFEQAGRQNDF-NSHDSACASA-N -1 3 296.326 2.763 20 30 CFEDHM N#CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596499587 349921208 /nfs/dbraw/zinc/92/12/08/349921208.db2.gz SJWLNEIXZBKQQN-UHFFFAOYSA-N -1 3 276.296 2.581 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccccc3)CC2)c1[O-] ZINC000011115042 346228452 /nfs/dbraw/zinc/22/84/52/346228452.db2.gz QBORWYFIFIGNAF-VXLYETTFSA-N -1 3 296.370 2.739 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1F ZINC000041562971 346352639 /nfs/dbraw/zinc/35/26/39/346352639.db2.gz INHBRWAIZOSCOL-LBPRGKRZSA-N -1 3 299.305 2.731 20 30 CFEDHM COc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574233 346353452 /nfs/dbraw/zinc/35/34/52/346353452.db2.gz JBARJJGRSJPBFV-CQSZACIVSA-N -1 3 281.315 2.592 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000057606786 346632356 /nfs/dbraw/zinc/63/23/56/346632356.db2.gz OINOTNJLCYLGQD-MRVPVSSYSA-N -1 3 292.813 2.618 20 30 CFEDHM CCN(CCC#N)Cc1cc(Br)ccc1[O-] ZINC000076118466 347123540 /nfs/dbraw/zinc/12/35/40/347123540.db2.gz LRGSTSMFIQQEEL-UHFFFAOYSA-N -1 3 283.169 2.890 20 30 CFEDHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c([O-])c1 ZINC000078359446 347246036 /nfs/dbraw/zinc/24/60/36/347246036.db2.gz OGFNQIFWWOBREP-GFCCVEGCSA-N -1 3 296.326 2.978 20 30 CFEDHM CCO[C@@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731362 347433573 /nfs/dbraw/zinc/43/35/73/347433573.db2.gz LWPRNGBAPYBINW-ZETCQYMHSA-N -1 3 296.277 2.763 20 30 CFEDHM CCO[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731362 347433576 /nfs/dbraw/zinc/43/35/76/347433576.db2.gz LWPRNGBAPYBINW-ZETCQYMHSA-N -1 3 296.277 2.763 20 30 CFEDHM CCO[C@@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731362 347433578 /nfs/dbraw/zinc/43/35/78/347433578.db2.gz LWPRNGBAPYBINW-ZETCQYMHSA-N -1 3 296.277 2.763 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000092465465 347626896 /nfs/dbraw/zinc/62/68/96/347626896.db2.gz QRNFEHHJIMPFDP-UHFFFAOYSA-N -1 3 273.254 2.778 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCC1 ZINC000137811727 347914372 /nfs/dbraw/zinc/91/43/72/347914372.db2.gz UZZXDCZEBQLDFP-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCCCCC2)c(F)c1 ZINC000151001593 347958660 /nfs/dbraw/zinc/95/86/60/347958660.db2.gz PITAUPHNONZSBO-UHFFFAOYSA-N -1 3 296.367 2.698 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCC1 ZINC000151173911 347960331 /nfs/dbraw/zinc/96/03/31/347960331.db2.gz FLYHXKKNQGMMNU-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cccc2[n-]nnc21 ZINC000188111329 348131579 /nfs/dbraw/zinc/13/15/79/348131579.db2.gz KWOCPRUSYISMEA-UHFFFAOYSA-N -1 3 272.352 2.776 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cccc2nn[n-]c21 ZINC000188111329 348131582 /nfs/dbraw/zinc/13/15/82/348131582.db2.gz KWOCPRUSYISMEA-UHFFFAOYSA-N -1 3 272.352 2.776 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cccc2n[n-]nc21 ZINC000188111329 348131586 /nfs/dbraw/zinc/13/15/86/348131586.db2.gz KWOCPRUSYISMEA-UHFFFAOYSA-N -1 3 272.352 2.776 20 30 CFEDHM Cc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)co1 ZINC000588815158 348796606 /nfs/dbraw/zinc/79/66/06/348796606.db2.gz WNGSDSBPSJIYAR-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM Cc1cccc(NC(=O)c2ncc(C#N)cc2C)c1[O-] ZINC000590317972 348893276 /nfs/dbraw/zinc/89/32/76/348893276.db2.gz NHTSPRYZKCJERE-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1csc(=O)[n-]1 ZINC000591322915 349009668 /nfs/dbraw/zinc/00/96/68/349009668.db2.gz QUGQSPJYWKVSBN-GFCCVEGCSA-N -1 3 299.355 2.528 20 30 CFEDHM CC[C@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000593557234 349292774 /nfs/dbraw/zinc/29/27/74/349292774.db2.gz PAJFVLZBXQDQET-SSDOTTSWSA-N -1 3 272.226 2.899 20 30 CFEDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593556303 349293111 /nfs/dbraw/zinc/29/31/11/349293111.db2.gz GKGVHFNAMBJENZ-MNOVXSKESA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593601072 349296864 /nfs/dbraw/zinc/29/68/64/349296864.db2.gz PLQFCTJWOXRBLW-XYPYZODXSA-N -1 3 298.433 2.867 20 30 CFEDHM CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593601647 349297359 /nfs/dbraw/zinc/29/73/59/349297359.db2.gz IWTJCYYXPMCTRK-SNVBAGLBSA-N -1 3 298.433 2.724 20 30 CFEDHM CC[C@@H](C#N)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000593614139 349298980 /nfs/dbraw/zinc/29/89/80/349298980.db2.gz ZILSEXMJLQRAPL-QWRGUYRKSA-N -1 3 258.321 2.782 20 30 CFEDHM CCCc1ccc(-c2cc(=NC(=O)[C@@H](C#N)CC)[nH][n-]2)cc1 ZINC000593893632 349333261 /nfs/dbraw/zinc/33/32/61/349333261.db2.gz LXLWRTAMRRVQTH-CYBMUJFWSA-N -1 3 296.374 2.939 20 30 CFEDHM C[C@@H](CC#N)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000597519435 350108187 /nfs/dbraw/zinc/10/81/87/350108187.db2.gz GFVKGLLVJUDFLK-QWRGUYRKSA-N -1 3 258.321 2.782 20 30 CFEDHM CSc1ccc([O-])c(C(=O)NCC2(C#N)CCC2)c1 ZINC000597783479 350134932 /nfs/dbraw/zinc/13/49/32/350134932.db2.gz KMHQHACENYOZHJ-UHFFFAOYSA-N -1 3 276.361 2.538 20 30 CFEDHM C[C@]1(C#N)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000598411675 350261492 /nfs/dbraw/zinc/26/14/92/350261492.db2.gz OXITWNPVXIUIFS-QGZVFWFLSA-N -1 3 284.359 2.647 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000599633040 350469286 /nfs/dbraw/zinc/46/92/86/350469286.db2.gz KRZCYXSBPUJSIJ-ZDUSSCGKSA-N -1 3 272.348 2.903 20 30 CFEDHM CCC(C#N)(CC)C(=O)Nc1ccc(OC)cc1[O-] ZINC000599805539 350493785 /nfs/dbraw/zinc/49/37/85/350493785.db2.gz QQYZIFUATGXWGD-UHFFFAOYSA-N -1 3 262.309 2.669 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000601821861 350786492 /nfs/dbraw/zinc/78/64/92/350786492.db2.gz SZYSKQNDQZNSBZ-GXTWGEPZSA-N -1 3 272.348 2.719 20 30 CFEDHM CSc1ccncc1[N-]C(=O)c1sccc1C#N ZINC000610543838 351580177 /nfs/dbraw/zinc/58/01/77/351580177.db2.gz AULYRHFLFFCFAC-UHFFFAOYSA-N -1 3 275.358 2.989 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C ZINC000291892398 198098184 /nfs/dbraw/zinc/09/81/84/198098184.db2.gz OVKJVFPNBAHOBU-UHFFFAOYSA-N -1 3 298.364 2.920 20 30 CFEDHM C=CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000614307800 352078477 /nfs/dbraw/zinc/07/84/77/352078477.db2.gz JLYPHBCDBYSMFF-UHFFFAOYSA-N -1 3 299.286 2.528 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000617787308 352646997 /nfs/dbraw/zinc/64/69/97/352646997.db2.gz LQFSUNRDXVGSIQ-CYBMUJFWSA-N -1 3 296.370 2.956 20 30 CFEDHM C=CCC1(NC(=O)c2cccc(CC)c2[O-])CCOCC1 ZINC000618249028 352738400 /nfs/dbraw/zinc/73/84/00/352738400.db2.gz CJJMSJMUXXNUEU-UHFFFAOYSA-N -1 3 289.375 2.810 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2nccs2)s1 ZINC000618641864 352849219 /nfs/dbraw/zinc/84/92/19/352849219.db2.gz GGPBOCDPKMSDNF-UHFFFAOYSA-N -1 3 263.347 2.891 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1[O-] ZINC000620315119 353150960 /nfs/dbraw/zinc/15/09/60/353150960.db2.gz YMCCLDSVABJLLU-TXEJJXNPSA-N -1 3 273.332 2.724 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000620858063 353241876 /nfs/dbraw/zinc/24/18/76/353241876.db2.gz UXDPQSYYEBKOAK-UHFFFAOYSA-N -1 3 263.337 2.875 20 30 CFEDHM N#Cc1cc(NC([O-])=NOCCC(F)(F)F)ccc1F ZINC000157319369 188309876 /nfs/dbraw/zinc/30/98/76/188309876.db2.gz SRSAZVIHTJBJSM-UHFFFAOYSA-N -1 3 291.204 2.703 20 30 CFEDHM N#Cc1cc(NC(=O)[N-]OCCC(F)(F)F)ccc1F ZINC000157319369 188309877 /nfs/dbraw/zinc/30/98/77/188309877.db2.gz SRSAZVIHTJBJSM-UHFFFAOYSA-N -1 3 291.204 2.703 20 30 CFEDHM CC[C@H](NCc1ccn(CC)n1)c1cccc(C#N)c1[O-] ZINC000823588115 781932411 /nfs/dbraw/zinc/93/24/11/781932411.db2.gz YIRPNVCUCYTGOI-HNNXBMFYSA-N -1 3 284.363 2.721 20 30 CFEDHM N#Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000063063727 283124693 /nfs/dbraw/zinc/12/46/93/283124693.db2.gz HCXSQAALARNKFQ-UHFFFAOYSA-N -1 3 278.311 2.857 20 30 CFEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCc2ccccc21 ZINC000683738696 540777673 /nfs/dbraw/zinc/77/76/73/540777673.db2.gz GUHRXEGHABORAI-GFCCVEGCSA-N -1 3 273.361 2.949 20 30 CFEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426817426 239266711 /nfs/dbraw/zinc/26/67/11/239266711.db2.gz OSBNAKYDKSFHGZ-OAHLLOKOSA-N -1 3 284.290 2.613 20 30 CFEDHM CCSc1nnc([N-]C(=O)c2cscc2C#N)s1 ZINC000432667464 240027973 /nfs/dbraw/zinc/02/79/73/240027973.db2.gz HCLHOQAVLXPWPG-UHFFFAOYSA-N -1 3 296.402 2.836 20 30 CFEDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443075803 241034516 /nfs/dbraw/zinc/03/45/16/241034516.db2.gz BWPWVULXZMQCSN-JTQLQIEISA-N -1 3 298.795 2.536 20 30 CFEDHM CC1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000331895598 204272806 /nfs/dbraw/zinc/27/28/06/204272806.db2.gz RPYCZCWLHGSJDC-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM C[C@@H](C#N)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000024951307 372284735 /nfs/dbraw/zinc/28/47/35/372284735.db2.gz WHCLJDYGVHKMLR-VIFPVBQESA-N -1 3 297.343 2.525 20 30 CFEDHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000051637604 373403784 /nfs/dbraw/zinc/40/37/84/373403784.db2.gz PHKQYNXUTRFTJO-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM C[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccc(C#N)cc1 ZINC000492399886 246280158 /nfs/dbraw/zinc/28/01/58/246280158.db2.gz PQHNYZGXIFQXTH-DJFZKKHWSA-N -1 3 293.326 2.549 20 30 CFEDHM C=CCOc1ccccc1CNC(=O)c1c([O-])cccc1O ZINC000092121647 375089722 /nfs/dbraw/zinc/08/97/22/375089722.db2.gz LURRHKCYIWESBT-UHFFFAOYSA-N -1 3 299.326 2.593 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(C)C ZINC000092694773 375140239 /nfs/dbraw/zinc/14/02/39/375140239.db2.gz DSRUFQXPXSSWQH-GFCCVEGCSA-N -1 3 268.320 2.658 20 30 CFEDHM Cc1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000152037010 378386068 /nfs/dbraw/zinc/38/60/68/378386068.db2.gz ZAHQODWQPKCSBI-UHFFFAOYSA-N -1 3 279.271 2.854 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H](CO)CC2CCCC2)c1 ZINC000330413441 378549347 /nfs/dbraw/zinc/54/93/47/378549347.db2.gz ANLSPDSIPIAKRQ-ZDUSSCGKSA-N -1 3 277.364 2.946 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1 ZINC000330453327 378559661 /nfs/dbraw/zinc/55/96/61/378559661.db2.gz VIJIDHQHOBABLC-PWSUYJOCSA-N -1 3 279.336 2.663 20 30 CFEDHM Cc1cccc2c1[n-]cc(C(=O)N(C)[C@@H](C)CC#N)c2=O ZINC000164597755 379019507 /nfs/dbraw/zinc/01/95/07/379019507.db2.gz GJTLUFSOGCLMAB-NSHDSACASA-N -1 3 283.331 2.623 20 30 CFEDHM CSc1cc(O)ccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000334461985 379341788 /nfs/dbraw/zinc/34/17/88/379341788.db2.gz PWGCSARWEOEYAB-UHFFFAOYSA-N -1 3 274.301 2.831 20 30 CFEDHM Cc1ccc(NC(=O)c2ccc(C#N)s2)c([O-])c1 ZINC000334508688 379419206 /nfs/dbraw/zinc/41/92/06/379419206.db2.gz OLTMMAZSZFNHFB-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)C2(C#N)CCOCC2)c1[O-] ZINC000175838986 380140263 /nfs/dbraw/zinc/14/02/63/380140263.db2.gz BNPNVXWAWQGHOQ-UHFFFAOYSA-N -1 3 294.738 2.613 20 30 CFEDHM Cc1ccc(C(=O)N(C)C2(C#N)CCC2)c([O-])c1C ZINC000336367287 380332061 /nfs/dbraw/zinc/33/20/61/380332061.db2.gz VOONDOOXKOEPOX-UHFFFAOYSA-N -1 3 258.321 2.527 20 30 CFEDHM Cc1nsc([N-]C(=O)c2cc(F)c(F)c(F)c2)c1C#N ZINC000336159180 380276567 /nfs/dbraw/zinc/27/65/67/380276567.db2.gz NRVZCGZGESWVBL-UHFFFAOYSA-N -1 3 297.261 2.993 20 30 CFEDHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000180669796 380687359 /nfs/dbraw/zinc/68/73/59/380687359.db2.gz AWDWQTWOSPFLIH-UHFFFAOYSA-N -1 3 296.367 2.639 20 30 CFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408408629 380924035 /nfs/dbraw/zinc/92/40/35/380924035.db2.gz PQIPRNYXGXSNLO-ZFWWWQNUSA-N -1 3 284.359 2.693 20 30 CFEDHM Cc1ccnc2ccc(C([O-])=C(C#N)c3ccncn3)cc12 ZINC000354044698 381044302 /nfs/dbraw/zinc/04/43/02/381044302.db2.gz LUQRYBMPRYRKCN-AWEZNQCLSA-N -1 3 288.310 2.823 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1C(C)(C)C ZINC000049458778 412944796 /nfs/dbraw/zinc/94/47/96/412944796.db2.gz WLVPXJOQYQNWQQ-GFCCVEGCSA-N -1 3 282.347 2.832 20 30 CFEDHM C#CCOc1ccccc1NC([O-])=NOC[C@@H](C)CC ZINC000296720382 381519900 /nfs/dbraw/zinc/51/99/00/381519900.db2.gz JFKYXKKLPSFNMN-LBPRGKRZSA-N -1 3 276.336 2.798 20 30 CFEDHM C#CCOc1ccccc1NC(=O)[N-]OC[C@@H](C)CC ZINC000296720382 381519906 /nfs/dbraw/zinc/51/99/06/381519906.db2.gz JFKYXKKLPSFNMN-LBPRGKRZSA-N -1 3 276.336 2.798 20 30 CFEDHM C#CCN(Cc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000298521430 381661344 /nfs/dbraw/zinc/66/13/44/381661344.db2.gz LKYPCWZIVNEDNH-CQSZACIVSA-N -1 3 281.359 2.687 20 30 CFEDHM N#Cc1ccccc1SCc1cc(=O)c([O-])co1 ZINC000348726951 381686281 /nfs/dbraw/zinc/68/62/81/381686281.db2.gz CLCPADZFFDYYRP-UHFFFAOYSA-N -1 3 259.286 2.509 20 30 CFEDHM C#CCO[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000291345915 381755382 /nfs/dbraw/zinc/75/53/82/381755382.db2.gz WOLZSEZCTMLKPX-UHFFFAOYSA-N -1 3 287.359 2.646 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355682227 381795133 /nfs/dbraw/zinc/79/51/33/381795133.db2.gz WOOIRHGJWPUJJK-LBPRGKRZSA-N -1 3 284.363 2.946 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C#N)ccc1C ZINC000292792323 381836122 /nfs/dbraw/zinc/83/61/22/381836122.db2.gz ZWJQJFDQQZXYTH-SNVBAGLBSA-N -1 3 261.325 2.966 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc2[n-]nnc21 ZINC000187789134 382269661 /nfs/dbraw/zinc/26/96/61/382269661.db2.gz HOAALTKFMQAIBI-UHFFFAOYSA-N -1 3 299.378 2.750 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc2nn[n-]c21 ZINC000187789134 382269670 /nfs/dbraw/zinc/26/96/70/382269670.db2.gz HOAALTKFMQAIBI-UHFFFAOYSA-N -1 3 299.378 2.750 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc2n[n-]nc21 ZINC000187789134 382269676 /nfs/dbraw/zinc/26/96/76/382269676.db2.gz HOAALTKFMQAIBI-UHFFFAOYSA-N -1 3 299.378 2.750 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2cc(C#N)cs2)c1 ZINC000352457735 382342975 /nfs/dbraw/zinc/34/29/75/382342975.db2.gz FCDKDFBAORZJHI-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000353159508 382502446 /nfs/dbraw/zinc/50/24/46/382502446.db2.gz YUVYLWNBABTCAY-LLVKDONJSA-N -1 3 298.795 2.845 20 30 CFEDHM CSC1(CNC(=O)c2cc(F)cc3nn[n-]c32)CCC1 ZINC000328652449 382559311 /nfs/dbraw/zinc/55/93/11/382559311.db2.gz KMSLQDDQDBLNBG-UHFFFAOYSA-N -1 3 294.355 2.687 20 30 CFEDHM CSC1(CNC(=O)c2cc(F)cc3[n-]nnc32)CCC1 ZINC000328652449 382559316 /nfs/dbraw/zinc/55/93/16/382559316.db2.gz KMSLQDDQDBLNBG-UHFFFAOYSA-N -1 3 294.355 2.687 20 30 CFEDHM CSC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCC1 ZINC000328652449 382559320 /nfs/dbraw/zinc/55/93/20/382559320.db2.gz KMSLQDDQDBLNBG-UHFFFAOYSA-N -1 3 294.355 2.687 20 30 CFEDHM C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)C1CCCC1 ZINC000328653299 382559657 /nfs/dbraw/zinc/55/96/57/382559657.db2.gz KZVNACKPUWTVOJ-MRVPVSSYSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)C1CCCC1 ZINC000328653299 382559664 /nfs/dbraw/zinc/55/96/64/382559664.db2.gz KZVNACKPUWTVOJ-MRVPVSSYSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C1CCCC1 ZINC000328653299 382559668 /nfs/dbraw/zinc/55/96/68/382559668.db2.gz KZVNACKPUWTVOJ-MRVPVSSYSA-N -1 3 276.315 2.980 20 30 CFEDHM CC1(CCNC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000328660866 382562081 /nfs/dbraw/zinc/56/20/81/382562081.db2.gz WCUUQJLNFPWGSR-UHFFFAOYSA-N -1 3 262.288 2.592 20 30 CFEDHM CC1(CCNC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000328660866 382562084 /nfs/dbraw/zinc/56/20/84/382562084.db2.gz WCUUQJLNFPWGSR-UHFFFAOYSA-N -1 3 262.288 2.592 20 30 CFEDHM CC1(CCNC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328660866 382562085 /nfs/dbraw/zinc/56/20/85/382562085.db2.gz WCUUQJLNFPWGSR-UHFFFAOYSA-N -1 3 262.288 2.592 20 30 CFEDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230341433 382859626 /nfs/dbraw/zinc/85/96/26/382859626.db2.gz VAWYZAHOFFMILF-QWRGUYRKSA-N -1 3 298.433 2.867 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccc(OCC)cc1 ZINC000493750204 382893969 /nfs/dbraw/zinc/89/39/69/382893969.db2.gz FDDGLBVJODKCFX-OBIHZWKSSA-N -1 3 261.321 2.721 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2cccc(C#N)c2C)c1 ZINC000338183112 382946111 /nfs/dbraw/zinc/94/61/11/382946111.db2.gz XMLYEJOOLXOCOZ-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000538288438 382959294 /nfs/dbraw/zinc/95/92/94/382959294.db2.gz ZELXWNPSLGWGPL-SNVBAGLBSA-N -1 3 289.347 2.988 20 30 CFEDHM CCc1ccc([O-])c(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000538787415 382960171 /nfs/dbraw/zinc/96/01/71/382960171.db2.gz WBVBSRAOKJKOSX-UHFFFAOYSA-N -1 3 281.315 2.668 20 30 CFEDHM N#Cc1ncccc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000578549428 382931894 /nfs/dbraw/zinc/93/18/94/382931894.db2.gz MCWLVAFNAUHTAN-UHFFFAOYSA-N -1 3 284.344 2.619 20 30 CFEDHM C=CCN(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444331196 382973213 /nfs/dbraw/zinc/97/32/13/382973213.db2.gz OLANFBMBJZQJJN-UHFFFAOYSA-N -1 3 295.338 2.881 20 30 CFEDHM N#CC(=C([O-])c1cccc2nccnc21)c1ccccn1 ZINC000544555291 382975104 /nfs/dbraw/zinc/97/51/04/382975104.db2.gz GTOKMRBEMVPBBU-GFCCVEGCSA-N -1 3 274.283 2.515 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000448540755 383064122 /nfs/dbraw/zinc/06/41/22/383064122.db2.gz BWPLKYFKISKERL-CYBMUJFWSA-N -1 3 290.326 2.767 20 30 CFEDHM CCc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC000597906308 383129430 /nfs/dbraw/zinc/12/94/30/383129430.db2.gz WOBFDLYDALJHGR-ZDUSSCGKSA-N -1 3 272.348 2.720 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)c2c1CCC2 ZINC000514913824 383157050 /nfs/dbraw/zinc/15/70/50/383157050.db2.gz FOTVBQNEVAJHIV-OAHLLOKOSA-N -1 3 277.327 2.764 20 30 CFEDHM COc1cccc(C)c1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000563226852 383166684 /nfs/dbraw/zinc/16/66/84/383166684.db2.gz YILTUMSAIYWGJC-UHFFFAOYSA-N -1 3 296.392 2.685 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000424968750 383300072 /nfs/dbraw/zinc/30/00/72/383300072.db2.gz XQXQLBSOAPKDNQ-WCQYABFASA-N -1 3 272.348 2.938 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(F)c3)nc1-2 ZINC000429590214 383551612 /nfs/dbraw/zinc/55/16/12/383551612.db2.gz OSFMXSMOINAIMN-GFCCVEGCSA-N -1 3 294.289 2.896 20 30 CFEDHM C=CCC[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000635307185 383529883 /nfs/dbraw/zinc/52/98/83/383529883.db2.gz HSRZHZNDNBACDL-OAHLLOKOSA-N -1 3 299.374 2.915 20 30 CFEDHM C=C[C@](C)(CC)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320575 383762880 /nfs/dbraw/zinc/76/28/80/383762880.db2.gz IDLKOGPNFATSJP-MRXNPFEDSA-N -1 3 289.379 2.668 20 30 CFEDHM Cc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)c([O-])c1C ZINC000436602555 383853211 /nfs/dbraw/zinc/85/32/11/383853211.db2.gz KMBZAFFGDXYFHH-JTQLQIEISA-N -1 3 272.348 2.773 20 30 CFEDHM CNc1ccc(C#N)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436674054 383868747 /nfs/dbraw/zinc/86/87/47/383868747.db2.gz GROGERUXDFRLRB-UHFFFAOYSA-N -1 3 297.314 2.566 20 30 CFEDHM C=CCCOCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436715790 383878293 /nfs/dbraw/zinc/87/82/93/383878293.db2.gz QVPUCFNPQYZVLQ-UHFFFAOYSA-N -1 3 289.375 2.594 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1cc(C)ccc1OC ZINC000532360682 384015447 /nfs/dbraw/zinc/01/54/47/384015447.db2.gz XXJWHDJJBPFZCC-UHFFFAOYSA-N -1 3 291.376 2.779 20 30 CFEDHM C=CC[C@@H]1N(C(=O)c2cc(C)nc(=O)[n-]2)CCCC1(C)C ZINC000278163150 384487317 /nfs/dbraw/zinc/48/73/17/384487317.db2.gz PIGPOCOZOBGQPV-ZDUSSCGKSA-N -1 3 289.379 2.698 20 30 CFEDHM C=CCOc1ccccc1CN1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000574810472 335049216 /nfs/dbraw/zinc/04/92/16/335049216.db2.gz HMWKBBZKMAHLOK-DZGCQCFKSA-N -1 3 289.375 2.794 20 30 CFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000268450202 384622685 /nfs/dbraw/zinc/62/26/85/384622685.db2.gz RGSVULLJOSILIY-XEHSLEBBSA-N -1 3 296.367 2.654 20 30 CFEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1ccccc1OCC ZINC000269991006 384933909 /nfs/dbraw/zinc/93/39/09/384933909.db2.gz SMZKMKFXVSQXCM-UHFFFAOYSA-N -1 3 281.302 2.705 20 30 CFEDHM CC(C)c1ccc(C(=O)N(CCC#N)CCC#N)c([O-])c1 ZINC000271230303 385378121 /nfs/dbraw/zinc/37/81/21/385378121.db2.gz IOUHGVUVENWMDZ-UHFFFAOYSA-N -1 3 285.347 2.785 20 30 CFEDHM CCO[N-]C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282961046 385416799 /nfs/dbraw/zinc/41/67/99/385416799.db2.gz IOJOMIOIRFYXRR-UHFFFAOYSA-N -1 3 289.213 2.530 20 30 CFEDHM C=CCN(CCc1ccco1)Cc1nc(CC)cc(=O)[n-]1 ZINC000272244985 385485969 /nfs/dbraw/zinc/48/59/69/385485969.db2.gz HHXNOZJANMHYNP-UHFFFAOYSA-N -1 3 287.363 2.568 20 30 CFEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000272777773 385612348 /nfs/dbraw/zinc/61/23/48/385612348.db2.gz UMUMVKQYXOXKMG-UHFFFAOYSA-N -1 3 251.276 2.615 20 30 CFEDHM Cc1nc(C)c(C(=O)[N-]c2scc(C)c2C#N)o1 ZINC000288695770 197147285 /nfs/dbraw/zinc/14/72/85/197147285.db2.gz CZGWRBNRUMRARH-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM N#Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(Cl)c1 ZINC000274825871 385879249 /nfs/dbraw/zinc/87/92/49/385879249.db2.gz KWRGNFKIFHXHGX-GFCCVEGCSA-N -1 3 295.726 2.791 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(Cl)c1 ZINC000274825871 385879252 /nfs/dbraw/zinc/87/92/52/385879252.db2.gz KWRGNFKIFHXHGX-GFCCVEGCSA-N -1 3 295.726 2.791 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)CCCCF)cc1Cl ZINC000288461033 197084243 /nfs/dbraw/zinc/08/42/43/197084243.db2.gz AGGUECUBTWBQFS-UHFFFAOYSA-N -1 3 290.747 2.703 20 30 CFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(C)(C)C ZINC000288195724 197024184 /nfs/dbraw/zinc/02/41/84/197024184.db2.gz MAKOSVHMBFIORH-LLVKDONJSA-N -1 3 280.318 2.646 20 30 CFEDHM N#Cc1ccc(C(=O)[N-]c2sccc2C#N)s1 ZINC000336483887 128393907 /nfs/dbraw/zinc/39/39/07/128393907.db2.gz CUSJLQFORGZGKA-UHFFFAOYSA-N -1 3 259.315 2.805 20 30 CFEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(C)C ZINC000282144857 195519864 /nfs/dbraw/zinc/51/98/64/195519864.db2.gz QAORNJPUWKNGRC-CYBMUJFWSA-N -1 3 281.302 2.561 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183787587 393522488 /nfs/dbraw/zinc/52/24/88/393522488.db2.gz SVCPVJWIYJLUFD-GFCCVEGCSA-N -1 3 272.348 2.693 20 30 CFEDHM C=CCN(CC=C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000345648315 393912856 /nfs/dbraw/zinc/91/28/56/393912856.db2.gz UBWQKYNKUSPIHJ-UHFFFAOYSA-N -1 3 285.347 2.776 20 30 CFEDHM C=CCN(CC=C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000345648315 393912860 /nfs/dbraw/zinc/91/28/60/393912860.db2.gz UBWQKYNKUSPIHJ-UHFFFAOYSA-N -1 3 285.347 2.776 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1CC1(C)C ZINC000416647455 393935059 /nfs/dbraw/zinc/93/50/59/393935059.db2.gz MFONUUBUEMCDPK-QWRGUYRKSA-N -1 3 298.433 2.723 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(F)cc1Cl ZINC000417625850 393985633 /nfs/dbraw/zinc/98/56/33/393985633.db2.gz NFGONMOQQSEGFN-LLVKDONJSA-N -1 3 271.719 2.988 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(OCCC)c1 ZINC000417628238 393986701 /nfs/dbraw/zinc/98/67/01/393986701.db2.gz QTEQXZHTLDWESY-AWEZNQCLSA-N -1 3 277.364 2.984 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)cc1F ZINC000417633267 393987484 /nfs/dbraw/zinc/98/74/84/393987484.db2.gz XONVCLVKSKYLIQ-LLVKDONJSA-N -1 3 271.719 2.988 20 30 CFEDHM COc1cccc(C(=O)N(C)Cc2ccc(C#N)cc2)c1[O-] ZINC000124011584 393990260 /nfs/dbraw/zinc/99/02/60/393990260.db2.gz ZTGOMYUXUSPTKK-UHFFFAOYSA-N -1 3 296.326 2.545 20 30 CFEDHM CCc1ccc(C(=O)NCCc2cccc(C#N)c2)c([O-])c1 ZINC000436860590 394030078 /nfs/dbraw/zinc/03/00/78/394030078.db2.gz PSHBTRGZMWWMSU-UHFFFAOYSA-N -1 3 294.354 2.799 20 30 CFEDHM C=CCN(CCC#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000359398099 394132117 /nfs/dbraw/zinc/13/21/17/394132117.db2.gz ZBFYMPDMPIYLLM-UHFFFAOYSA-N -1 3 290.338 2.782 20 30 CFEDHM N#C[C@H]1N(Cc2ccccc2[O-])CCC[C@]12CCCCO2 ZINC000366151342 394240444 /nfs/dbraw/zinc/24/04/44/394240444.db2.gz JSIUXPGBZZQOBB-IAGOWNOFSA-N -1 3 286.375 2.819 20 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3 297.293 2.951 20 30 CFEDHM Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1F ZINC000047342864 397585334 /nfs/dbraw/zinc/58/53/34/397585334.db2.gz RFQSFZXKLUNCQP-UHFFFAOYSA-N -1 3 297.293 2.951 20 30 CFEDHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1F ZINC000047342864 397585337 /nfs/dbraw/zinc/58/53/37/397585337.db2.gz RFQSFZXKLUNCQP-UHFFFAOYSA-N -1 3 297.293 2.951 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)c(C(=O)[O-])o1 ZINC000659802540 414562135 /nfs/dbraw/zinc/56/21/35/414562135.db2.gz XWGAHSDIVWMXCI-TXEJJXNPSA-N -1 3 261.321 2.969 20 30 CFEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334680896 225245935 /nfs/dbraw/zinc/24/59/35/225245935.db2.gz JBMOXMOSURHBEQ-JMCQJSRRSA-N -1 3 250.685 2.534 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Cl ZINC000354463991 227000898 /nfs/dbraw/zinc/00/08/98/227000898.db2.gz JUHGNGIDIFOCIS-LLVKDONJSA-N -1 3 271.707 2.929 20 30 CFEDHM N#CC(=C([O-])c1cccc2ncccc21)c1ccncn1 ZINC000354466867 227003307 /nfs/dbraw/zinc/00/33/07/227003307.db2.gz KIVXGCVUXAPDTA-CYBMUJFWSA-N -1 3 274.283 2.515 20 30 CFEDHM N#CCc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1 ZINC000350505273 227027072 /nfs/dbraw/zinc/02/70/72/227027072.db2.gz CSZPVEOIFQRJFJ-LJQANCHMSA-N -1 3 271.341 2.766 20 30 CFEDHM C[C@@H]1CC[C@H](NC(=O)c2csc(=O)[n-]2)[C@H](C)C1 ZINC000329981287 228005533 /nfs/dbraw/zinc/00/55/33/228005533.db2.gz MYVZIEDJXCNNFG-HLTSFMKQSA-N -1 3 254.355 2.978 20 30 CFEDHM C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336196258 228210201 /nfs/dbraw/zinc/21/02/01/228210201.db2.gz KASZVAOXVSOLOG-MADCSZMMSA-N -1 3 284.237 2.899 20 30 CFEDHM COc1ccc(CO)cc1-c1cc(/C=N/[O-])ccc1F ZINC001243173730 782034516 /nfs/dbraw/zinc/03/45/16/782034516.db2.gz DHYVSOXHKMIRLS-CAOOACKPSA-N -1 3 275.279 2.802 20 30 CFEDHM Cc1ccc(C(=O)N(CC#N)C2CCCC2)c([O-])c1 ZINC000080212106 260178142 /nfs/dbraw/zinc/17/81/42/260178142.db2.gz KPJQASWIAOCUBW-UHFFFAOYSA-N -1 3 258.321 2.609 20 30 CFEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000040360496 260222416 /nfs/dbraw/zinc/22/24/16/260222416.db2.gz IJZUMGMLPJNRBR-CQSZACIVSA-N -1 3 258.321 2.594 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313230924 260266257 /nfs/dbraw/zinc/26/62/57/260266257.db2.gz WRZCMKWIBJENNT-UHFFFAOYSA-N -1 3 271.357 2.625 20 30 CFEDHM C#C[C@@H](CC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000490715109 261192219 /nfs/dbraw/zinc/19/22/19/261192219.db2.gz UHYIKNDAYBBDBZ-QMMMGPOBSA-N -1 3 271.238 2.553 20 30 CFEDHM CCCCCCCC(=O)[N-]OCc1cccnc1 ZINC000160829034 261228185 /nfs/dbraw/zinc/22/81/85/261228185.db2.gz GWBKCUIGOJXQRL-UHFFFAOYSA-N -1 3 250.342 2.990 20 30 CFEDHM CCc1nn(C)c(CC)c1C/N=C/c1ccccc1[O-] ZINC000162332040 261277640 /nfs/dbraw/zinc/27/76/40/261277640.db2.gz OHDMEEIIVGVTSD-LICLKQGHSA-N -1 3 271.364 2.870 20 30 CFEDHM COc1cc(Cl)cc(CN(CCC#N)CCC#N)c1[O-] ZINC000187360066 262133949 /nfs/dbraw/zinc/13/39/49/262133949.db2.gz OLRJIGTYXDPKOJ-UHFFFAOYSA-N -1 3 293.754 2.684 20 30 CFEDHM N#CC(=C([O-])c1cccc(F)c1C#N)c1ccccn1 ZINC000188676508 262372605 /nfs/dbraw/zinc/37/26/05/262372605.db2.gz KELMUTGYJRXEHW-GFCCVEGCSA-N -1 3 265.247 2.582 20 30 CFEDHM COc1cc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)ccc1[O-] ZINC000272593480 263007364 /nfs/dbraw/zinc/00/73/64/263007364.db2.gz IZRIXPCGBJIUOS-BDJLRTHQSA-N -1 3 288.347 2.603 20 30 CFEDHM CCO[C@@H]1C[C@H](/N=C/c2ccccc2[O-])[C@]12CCCO2 ZINC000273509895 263017695 /nfs/dbraw/zinc/01/76/95/263017695.db2.gz NPYVCICTBDYZFH-RGCPLZLJSA-N -1 3 275.348 2.538 20 30 CFEDHM CC(C)(C#N)CC(=O)N1CCCc2cccc([O-])c21 ZINC000279568895 263056233 /nfs/dbraw/zinc/05/62/33/263056233.db2.gz YLTASZPNYLNLKW-UHFFFAOYSA-N -1 3 258.321 2.611 20 30 CFEDHM COCCCn1nccc1/C=C/C(=O)c1cccc([O-])c1 ZINC000282985261 263080014 /nfs/dbraw/zinc/08/00/14/263080014.db2.gz MCIKYDWZNKRAQN-VOTSOKGWSA-N -1 3 286.331 2.521 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000293673082 263146800 /nfs/dbraw/zinc/14/68/00/263146800.db2.gz JQWGMNPSGJXTBC-CMPLNLGQSA-N -1 3 256.296 2.786 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCC2CCCC2)c1[O-] ZINC000298231782 263216580 /nfs/dbraw/zinc/21/65/80/263216580.db2.gz AELSWEMASSPXSZ-CXUHLZMHSA-N -1 3 262.353 2.587 20 30 CFEDHM CCc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000298688722 263224160 /nfs/dbraw/zinc/22/41/60/263224160.db2.gz YCKXZPTYRPLQGI-LZYBPNLTSA-N -1 3 290.388 2.831 20 30 CFEDHM CCOC(=O)CC/N=C/c1c([O-])ccc2ccccc21 ZINC000299276150 263237386 /nfs/dbraw/zinc/23/73/86/263237386.db2.gz ZGPGTAIUYRDZHH-GZTJUZNOSA-N -1 3 271.316 2.918 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000340877245 263311052 /nfs/dbraw/zinc/31/10/52/263311052.db2.gz HTOXBNGCYCLMKQ-ZETCQYMHSA-N -1 3 280.176 2.846 20 30 CFEDHM CC(C)(C)[C@@H](C#N)NC(=O)Cc1ccc([O-])cc1Cl ZINC000330776508 264035058 /nfs/dbraw/zinc/03/50/58/264035058.db2.gz JBYAGHKXEMSEOQ-GFCCVEGCSA-N -1 3 280.755 2.643 20 30 CFEDHM CC(C)(C)[C@H](C#N)NC(=O)Cc1ccc([O-])cc1Cl ZINC000330776509 264035217 /nfs/dbraw/zinc/03/52/17/264035217.db2.gz JBYAGHKXEMSEOQ-LBPRGKRZSA-N -1 3 280.755 2.643 20 30 CFEDHM CCc1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000331233615 264173550 /nfs/dbraw/zinc/17/35/50/264173550.db2.gz KCSLPMHCGVUXSP-ZYHUDNBSSA-N -1 3 263.337 2.684 20 30 CFEDHM CCc1ccc(C(=O)N[C@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000331235488 264174406 /nfs/dbraw/zinc/17/44/06/264174406.db2.gz LOZYGHBLRWXIDW-ZUZCIYMTSA-N -1 3 263.337 2.827 20 30 CFEDHM C=C[C@@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331247436 264179535 /nfs/dbraw/zinc/17/95/35/264179535.db2.gz WBUHAYPZAFEZGF-SECBINFHSA-N -1 3 261.321 2.985 20 30 CFEDHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@@H](C)O ZINC000331338382 264194451 /nfs/dbraw/zinc/19/44/51/264194451.db2.gz JKBURRSBEGOLSV-MFKMUULPSA-N -1 3 265.353 2.980 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c([O-])c1 ZINC000334086727 264231061 /nfs/dbraw/zinc/23/10/61/264231061.db2.gz FIBISWMMDSMYJJ-JSGCOSHPSA-N -1 3 272.348 2.938 20 30 CFEDHM C[C@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094062294 265213424 /nfs/dbraw/zinc/21/34/24/265213424.db2.gz KCJIMOWAYOEPQA-GFCCVEGCSA-N -1 3 280.327 2.625 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1cccc([O-])c1 ZINC000357334117 266277283 /nfs/dbraw/zinc/27/72/83/266277283.db2.gz HQLUCCWNACIYHA-UHFFFAOYSA-N -1 3 259.227 2.583 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(F)cc3)nc1-2 ZINC000357662798 266341760 /nfs/dbraw/zinc/34/17/60/266341760.db2.gz KCTHBHCLYFESRQ-GFCCVEGCSA-N -1 3 294.289 2.896 20 30 CFEDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227301318 267017686 /nfs/dbraw/zinc/01/76/86/267017686.db2.gz KRXCCAAVKNTAQM-SKDRFNHKSA-N -1 3 298.795 2.679 20 30 CFEDHM CC[C@@H](c1ccccc1[O-])N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369927471 267277061 /nfs/dbraw/zinc/27/70/61/267277061.db2.gz AGENZMNAOIFFFE-ZBFHGGJFSA-N -1 3 285.391 2.515 20 30 CFEDHM N#Cc1ccc(NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000357505339 268157307 /nfs/dbraw/zinc/15/73/07/268157307.db2.gz SBLQRQAZKDRPSQ-UHFFFAOYSA-N -1 3 287.250 2.923 20 30 CFEDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151059122 280799428 /nfs/dbraw/zinc/79/94/28/280799428.db2.gz PDPKZPJCWCNDMD-JQWIXIFHSA-N -1 3 296.367 2.554 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[nH]1 ZINC000153702013 289874700 /nfs/dbraw/zinc/87/47/00/289874700.db2.gz RHICAIJFTYJYMR-UHFFFAOYSA-N -1 3 295.220 2.863 20 30 CFEDHM CC1CC(C#N)(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000531563054 328018210 /nfs/dbraw/zinc/01/82/10/328018210.db2.gz LMUKSLXWBLBFBV-UHFFFAOYSA-N -1 3 264.712 2.924 20 30 CFEDHM C=C(C)CN(CC)[C@@H](C(=O)[O-])c1ccccc1F ZINC000583698442 329069257 /nfs/dbraw/zinc/06/92/57/329069257.db2.gz ANXYQKAOCPTCAP-CYBMUJFWSA-N -1 3 251.301 2.849 20 30 CFEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccncc1 ZINC000266031674 328167612 /nfs/dbraw/zinc/16/76/12/328167612.db2.gz WHNVCPYYGHTIKD-OMPOGXFXSA-N -1 3 285.347 2.553 20 30 CFEDHM COCC(C)(C)CCC/N=C/c1ccc(O)c([O-])c1O ZINC000287335092 328250993 /nfs/dbraw/zinc/25/09/93/328250993.db2.gz WIYJWARLFJPQCL-CXUHLZMHSA-N -1 3 281.352 2.675 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(F)c1 ZINC000165821918 322385890 /nfs/dbraw/zinc/38/58/90/322385890.db2.gz QZPOSNVKUVFDER-UHFFFAOYSA-N -1 3 294.282 2.637 20 30 CFEDHM CCCOc1ccc(/C=N/CC2(C)COC2)c([O-])c1 ZINC000112561678 327286748 /nfs/dbraw/zinc/28/67/48/327286748.db2.gz UJNOZHBUSZXKFR-LZYBPNLTSA-N -1 3 263.337 2.636 20 30 CFEDHM Cc1ccc2[n-]cc(C(=O)N(CCC#N)C(C)C)c(=O)c2c1 ZINC000561098932 327366315 /nfs/dbraw/zinc/36/63/15/327366315.db2.gz JPDCRURCMXLICL-UHFFFAOYSA-N -1 3 297.358 2.601 20 30 CFEDHM Cc1noc(C)c1[C@H](C)C/N=C/c1ccc(O)c([O-])c1O ZINC000129591219 327431685 /nfs/dbraw/zinc/43/16/85/327431685.db2.gz ZLXZUIQYMUCVCY-XUNMKLQISA-N -1 3 290.319 2.631 20 30 CFEDHM N#C[C@]1(NC(=O)c2ccccc2[O-])CCc2ccccc2C1 ZINC000183943969 329255105 /nfs/dbraw/zinc/25/51/05/329255105.db2.gz GVIYMUZLVJNDFD-SFHVURJKSA-N -1 3 292.338 2.573 20 30 CFEDHM C=CCOc1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263405980 330054325 /nfs/dbraw/zinc/05/43/25/330054325.db2.gz JTNALLUDQCIONH-LBPRGKRZSA-N -1 3 295.766 2.811 20 30 CFEDHM C=CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000271351650 330079219 /nfs/dbraw/zinc/07/92/19/330079219.db2.gz DDYVTMNJSBFEMI-UHFFFAOYSA-N -1 3 263.312 2.884 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000088474845 330376476 /nfs/dbraw/zinc/37/64/76/330376476.db2.gz XTGGGVYNVNDHNI-SECBINFHSA-N -1 3 272.757 2.692 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000088475773 330376660 /nfs/dbraw/zinc/37/66/60/330376660.db2.gz ROZWYKMPIHFDAH-VIFPVBQESA-N -1 3 272.757 2.692 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429822265 330555497 /nfs/dbraw/zinc/55/54/97/330555497.db2.gz BIQLKEKJFPMBDX-ZETCQYMHSA-N -1 3 280.176 2.846 20 30 CFEDHM Cc1cccc(C(=O)NCC(C)(C)CCC#N)c1[O-] ZINC000436734845 330683974 /nfs/dbraw/zinc/68/39/74/330683974.db2.gz BEVABSXYQRZFKJ-UHFFFAOYSA-N -1 3 260.337 2.760 20 30 CFEDHM Cc1ccc(C(=O)NCC(C)(C)CCC#N)c([O-])c1 ZINC000436741580 330684027 /nfs/dbraw/zinc/68/40/27/330684027.db2.gz TWJKPEMHNVQFPP-UHFFFAOYSA-N -1 3 260.337 2.760 20 30 CFEDHM COc1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c([O-])c1 ZINC000451026285 331012402 /nfs/dbraw/zinc/01/24/02/331012402.db2.gz MAPSJSFRLLUXRF-MRXNPFEDSA-N -1 3 286.331 2.813 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1 ZINC000451572129 331034919 /nfs/dbraw/zinc/03/49/19/331034919.db2.gz XFXJRBVMWZWYKS-UHFFFAOYSA-N -1 3 286.422 2.665 20 30 CFEDHM C[C@H](CC#N)N(C)Cc1cccc([O-])c1Br ZINC000459337232 331276772 /nfs/dbraw/zinc/27/67/72/331276772.db2.gz KRDJNLGYVIQIIP-SECBINFHSA-N -1 3 283.169 2.889 20 30 CFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(F)cc1F ZINC000516633107 333051460 /nfs/dbraw/zinc/05/14/60/333051460.db2.gz BHCZKCJYTVVOAE-UHFFFAOYSA-N -1 3 288.319 2.646 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(C)s1 ZINC000178705225 333077026 /nfs/dbraw/zinc/07/70/26/333077026.db2.gz PAQPDESTNSNAEL-JTQLQIEISA-N -1 3 257.318 2.645 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1cc([O-])cc(Br)c1 ZINC000529035413 333469587 /nfs/dbraw/zinc/46/95/87/333469587.db2.gz IWKNBYATKFYSOX-SNVBAGLBSA-N -1 3 297.152 2.577 20 30 CFEDHM CCC(C#N)(CC)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000529468729 333489031 /nfs/dbraw/zinc/48/90/31/333489031.db2.gz PTAKBXQJXDVMJI-UHFFFAOYSA-N -1 3 297.358 2.887 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529511256 333491851 /nfs/dbraw/zinc/49/18/51/333491851.db2.gz HQJGGCBOLICEPZ-LEWSCRJBSA-N -1 3 263.312 2.942 20 30 CFEDHM N#CCc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174878235 335168250 /nfs/dbraw/zinc/16/82/50/335168250.db2.gz RCOIRXBTADPJLR-UHFFFAOYSA-N -1 3 270.263 2.850 20 30 CFEDHM CC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000550106621 334213360 /nfs/dbraw/zinc/21/33/60/334213360.db2.gz GLRBCQYIZAWADU-UHFFFAOYSA-N -1 3 294.376 2.571 20 30 CFEDHM CC(=O)c1cccc(NC(=O)c2cccc(CC#N)c2)c1[O-] ZINC000552288279 334313606 /nfs/dbraw/zinc/31/36/06/334313606.db2.gz MBNVLYIWYXPYHI-UHFFFAOYSA-N -1 3 294.310 2.913 20 30 CFEDHM N#CCSCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153644084 334675776 /nfs/dbraw/zinc/67/57/76/334675776.db2.gz XOISYRDWWNZUCH-UHFFFAOYSA-N -1 3 290.266 2.606 20 30 CFEDHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000330302371 533722682 /nfs/dbraw/zinc/72/26/82/533722682.db2.gz OISOAYAZJUIYLW-PSASIEDQSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000330302371 533722692 /nfs/dbraw/zinc/72/26/92/533722692.db2.gz OISOAYAZJUIYLW-PSASIEDQSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H]1CCC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000330302371 533722704 /nfs/dbraw/zinc/72/27/04/533722704.db2.gz OISOAYAZJUIYLW-PSASIEDQSA-N -1 3 276.315 2.980 20 30 CFEDHM Cc1cc(Cl)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000354470530 533778544 /nfs/dbraw/zinc/77/85/44/533778544.db2.gz SIGPMAWRINYXBN-GFCCVEGCSA-N -1 3 271.707 2.929 20 30 CFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000049342306 518706557 /nfs/dbraw/zinc/70/65/57/518706557.db2.gz TVSNCXBKSIXVHR-VIFPVBQESA-N -1 3 269.728 2.965 20 30 CFEDHM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1ccccn1 ZINC000344858251 534740856 /nfs/dbraw/zinc/74/08/56/534740856.db2.gz ZCVMRWQLXQBZEE-NSHDSACASA-N -1 3 291.232 2.985 20 30 CFEDHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230338380 524124864 /nfs/dbraw/zinc/12/48/64/524124864.db2.gz ZDMDJVRDNWGZEI-GHMZBOCLSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1cccc(C(=O)N(CCC#N)CC(C)C)c1[O-] ZINC000048151384 524164400 /nfs/dbraw/zinc/16/44/00/524164400.db2.gz RKSVWRRVOWTRQF-UHFFFAOYSA-N -1 3 260.337 2.713 20 30 CFEDHM COc1ccc([O-])c(C(=O)Nc2cccc(C#N)c2C)c1 ZINC000178406563 524733156 /nfs/dbraw/zinc/73/31/56/524733156.db2.gz AYRWFPMDNHZNOW-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM COc1ccc([O-])c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000050683112 524734580 /nfs/dbraw/zinc/73/45/80/524734580.db2.gz SUUHEXGEVHHJGE-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000360779260 525357887 /nfs/dbraw/zinc/35/78/87/525357887.db2.gz FJWYPQLXUHDWOL-NSHDSACASA-N -1 3 281.315 2.710 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cscc2C#N)c1 ZINC000334167999 525358781 /nfs/dbraw/zinc/35/87/81/525358781.db2.gz AZWBCKLADSRSOG-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000178548246 526520502 /nfs/dbraw/zinc/52/05/02/526520502.db2.gz BHJIYYDPQLAZFS-JTQLQIEISA-N -1 3 296.779 2.599 20 30 CFEDHM N#Cc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000236555523 526708395 /nfs/dbraw/zinc/70/83/95/526708395.db2.gz UAOVOERWPZLLMU-UHFFFAOYSA-N -1 3 286.718 2.847 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000330242562 526843175 /nfs/dbraw/zinc/84/31/75/526843175.db2.gz WNMNRJLLIRMERY-BXUZGUMPSA-N -1 3 277.320 2.970 20 30 CFEDHM C=CCOc1ccccc1CNCc1ncccc1[O-] ZINC000348019372 526950006 /nfs/dbraw/zinc/95/00/06/526950006.db2.gz XTGHYFNTGQYTEM-UHFFFAOYSA-N -1 3 270.332 2.642 20 30 CFEDHM COc1ccccc1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000078868599 545496667 /nfs/dbraw/zinc/49/66/67/545496667.db2.gz XYSJITHZQZIDCE-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM COc1ccccc1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000078868599 545496668 /nfs/dbraw/zinc/49/66/68/545496668.db2.gz XYSJITHZQZIDCE-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM COc1ccccc1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868599 545496670 /nfs/dbraw/zinc/49/66/70/545496670.db2.gz XYSJITHZQZIDCE-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM CC(C)CN(CCC(=O)[O-])Cc1ccc(F)cc1C#N ZINC000736432647 574051675 /nfs/dbraw/zinc/05/16/75/574051675.db2.gz RPFRPBCLOGVLRF-UHFFFAOYSA-N -1 3 278.327 2.630 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000753885352 574053240 /nfs/dbraw/zinc/05/32/40/574053240.db2.gz NTLVPVDZINXHRX-NIWAMVFTSA-N -1 3 287.359 2.777 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@H](O)C1CCCCC1 ZINC000727685697 574060383 /nfs/dbraw/zinc/06/03/83/574060383.db2.gz XEYKVELYVRUXJI-HAKPAVFJSA-N -1 3 277.364 2.761 20 30 CFEDHM Cc1c(NN=Cc2ccc(O)cc2[O-])cccc1[N+](=O)[O-] ZINC000727973262 574075426 /nfs/dbraw/zinc/07/54/26/574075426.db2.gz WWIBZXOJUFUQST-UHFFFAOYSA-N -1 3 287.275 2.760 20 30 CFEDHM Cc1cc(C)cc(C(C)N=Nc2nc(C)cc(=O)[n-]2)c1 ZINC000730431290 574080953 /nfs/dbraw/zinc/08/09/53/574080953.db2.gz XWKLQYLIUTZEHZ-UHFFFAOYSA-N -1 3 270.336 2.944 20 30 CFEDHM O=C1Nc2c(cccc2F)C1=N[N-]c1c(F)cccc1F ZINC000753960649 574083682 /nfs/dbraw/zinc/08/36/82/574083682.db2.gz SZPIFYRVQXEQRW-UHFFFAOYSA-N -1 3 291.232 2.872 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1c(F)cccc1F ZINC000753960649 574083684 /nfs/dbraw/zinc/08/36/84/574083684.db2.gz SZPIFYRVQXEQRW-UHFFFAOYSA-N -1 3 291.232 2.872 20 30 CFEDHM Cc1nc2cc(N=Cc3c([O-])c(C)ncc3CO)ccc2o1 ZINC000730547472 574087043 /nfs/dbraw/zinc/08/70/43/574087043.db2.gz VTZCQUTWIZKRBB-UHFFFAOYSA-N -1 3 297.314 2.788 20 30 CFEDHM CCOc1ccc(/C=N\[C@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000730951447 574104302 /nfs/dbraw/zinc/10/43/02/574104302.db2.gz NESYYDGYMGVKIP-VBYYMIJXSA-N -1 3 293.363 2.940 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCC1CC1 ZINC000730952413 574104419 /nfs/dbraw/zinc/10/44/19/574104419.db2.gz VPFWQXRJZBNDBT-NVNXTCNLSA-N -1 3 253.729 2.891 20 30 CFEDHM C#CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000730981252 574106418 /nfs/dbraw/zinc/10/64/18/574106418.db2.gz KQILBBCTDUBLPV-UHFFFAOYSA-N -1 3 281.311 2.965 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ncc[nH]1 ZINC000731156566 574111217 /nfs/dbraw/zinc/11/12/17/574111217.db2.gz HIHTWSRTNYGOJP-QHRPWQPMSA-N -1 3 258.252 2.638 20 30 CFEDHM C[C@]1(c2ccccc2)C[C@@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000741465833 574120845 /nfs/dbraw/zinc/12/08/45/574120845.db2.gz YVXPICIZBMATOD-UYKGLAFDSA-N -1 3 283.327 2.953 20 30 CFEDHM COc1cc(CN=Nc2cc(C)ncn2)cc(Cl)c1[O-] ZINC000731935640 574135907 /nfs/dbraw/zinc/13/59/07/574135907.db2.gz JXMZOYIUNKXBIH-UHFFFAOYSA-N -1 3 292.726 2.599 20 30 CFEDHM COc1cc(C=NNc2cc(C)ncn2)cc(Cl)c1[O-] ZINC000731935640 574135909 /nfs/dbraw/zinc/13/59/09/574135909.db2.gz JXMZOYIUNKXBIH-UHFFFAOYSA-N -1 3 292.726 2.599 20 30 CFEDHM Cc1ccc(F)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737345696 574137020 /nfs/dbraw/zinc/13/70/20/574137020.db2.gz VNEDIXLJCLMKIU-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1ccc(F)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737345696 574137022 /nfs/dbraw/zinc/13/70/22/574137022.db2.gz VNEDIXLJCLMKIU-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM CS(=O)(=O)Cc1ccc(N=Cc2ccccc2[O-])cc1 ZINC000746340170 574146480 /nfs/dbraw/zinc/14/64/80/574146480.db2.gz ALWWEBJKXBLIPF-UHFFFAOYSA-N -1 3 289.356 2.687 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\CCc2ccc(F)cc2F)c1O ZINC000732622038 574163027 /nfs/dbraw/zinc/16/30/27/574163027.db2.gz NMEBOVOACUSWDH-LSCVHKIXSA-N -1 3 293.269 2.743 20 30 CFEDHM CC(C)OC(=O)N1CCC(/N=C\c2ccccc2[O-])CC1 ZINC000732926947 574178961 /nfs/dbraw/zinc/17/89/61/574178961.db2.gz XHTPFYLIMBLENN-BOPFTXTBSA-N -1 3 290.363 2.821 20 30 CFEDHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738773374 574183971 /nfs/dbraw/zinc/18/39/71/574183971.db2.gz VDRLJHXFOIMLQX-MRXNPFEDSA-N -1 3 280.327 2.782 20 30 CFEDHM CC(C)C[C@](C)(CNC(=O)[O-])NCc1ccc(C#N)cc1 ZINC000738805087 574185407 /nfs/dbraw/zinc/18/54/07/574185407.db2.gz JJNYGZHNICLOFU-MRXNPFEDSA-N -1 3 289.379 2.720 20 30 CFEDHM CC(C)C[C@@](C)(CNC(=O)[O-])NCc1cccc(C#N)c1 ZINC000738807551 574185581 /nfs/dbraw/zinc/18/55/81/574185581.db2.gz PXZLHVGDBRRPAJ-INIZCTEOSA-N -1 3 289.379 2.720 20 30 CFEDHM COc1ccc(NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755803247 574188622 /nfs/dbraw/zinc/18/86/22/574188622.db2.gz ZZQLYXBRSKKOCL-UHFFFAOYSA-N -1 3 260.268 2.986 20 30 CFEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NO[C@@H]1CCCCO1 ZINC000755822871 574190403 /nfs/dbraw/zinc/19/04/03/574190403.db2.gz LAWLZVHPGUGVNB-SECBINFHSA-N -1 3 298.701 2.679 20 30 CFEDHM N#CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000739089163 574197783 /nfs/dbraw/zinc/19/77/83/574197783.db2.gz YZLPXRSZEZUKRD-UHFFFAOYSA-N -1 3 296.326 2.577 20 30 CFEDHM C=C(C)[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000756014892 574204680 /nfs/dbraw/zinc/20/46/80/574204680.db2.gz UWBUDHVKJKPZSY-LBPRGKRZSA-N -1 3 288.347 2.716 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cc(F)ccc2F)c1[O-] ZINC000747707982 574207704 /nfs/dbraw/zinc/20/77/04/574207704.db2.gz UWPDBPJONQRYCV-UHFFFAOYSA-N -1 3 278.258 2.617 20 30 CFEDHM CC(C)[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000747753231 574210204 /nfs/dbraw/zinc/21/02/04/574210204.db2.gz DKZXSGXCWQDIJX-CQSZACIVSA-N -1 3 294.420 2.918 20 30 CFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)(C)C ZINC000739964868 574230872 /nfs/dbraw/zinc/23/08/72/574230872.db2.gz ZOQHCSCGOFRCIF-JTQLQIEISA-N -1 3 298.383 2.658 20 30 CFEDHM CC(=NNC(=S)NC(C)(C)C)c1ccc([O-])cc1F ZINC000729932148 574238384 /nfs/dbraw/zinc/23/83/84/574238384.db2.gz FASJBODGXRMBOR-UHFFFAOYSA-N -1 3 283.372 2.518 20 30 CFEDHM CCCCCNC(=S)NN=C(C)c1ccc([O-])cc1F ZINC000729932436 574238546 /nfs/dbraw/zinc/23/85/46/574238546.db2.gz KXCJDSQIPYKCBB-UHFFFAOYSA-N -1 3 297.399 2.910 20 30 CFEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc([O-])cc1F ZINC000729933084 574238555 /nfs/dbraw/zinc/23/85/55/574238555.db2.gz RRCPWKVDEKWMOW-UHFFFAOYSA-N -1 3 290.254 2.671 20 30 CFEDHM CCOc1ccc(/C=N\Cc2ccn(C)c2)c([O-])c1 ZINC000748285580 574245100 /nfs/dbraw/zinc/24/51/00/574245100.db2.gz KWITWICOUAFBNG-YBEGLDIGSA-N -1 3 258.321 2.749 20 30 CFEDHM [O-]c1ccccc1C=NNc1ccnc2ccccc21 ZINC000730147449 574255518 /nfs/dbraw/zinc/25/55/18/574255518.db2.gz FXUJGZIUMUXREG-UHFFFAOYSA-N -1 3 263.300 2.808 20 30 CFEDHM N#Cc1c([N-]C(=O)c2ncccn2)sc2c1CCCC2 ZINC000748791049 574266647 /nfs/dbraw/zinc/26/66/47/574266647.db2.gz DVUUIFGVJOHMCL-UHFFFAOYSA-N -1 3 284.344 2.541 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cc(F)c(F)cc2F)n1 ZINC000734301578 574280761 /nfs/dbraw/zinc/28/07/61/574280761.db2.gz GBOSCDOKFHRYLG-UHFFFAOYSA-N -1 3 281.237 2.959 20 30 CFEDHM CC[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1ccncc1 ZINC000741466072 574291580 /nfs/dbraw/zinc/29/15/80/574291580.db2.gz CSVDSVZIRNVGRX-AXIYWZQUSA-N -1 3 272.304 2.769 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2C[C@@H]2Cc2ccccc2)c1O ZINC000741464106 574291863 /nfs/dbraw/zinc/29/18/63/574291863.db2.gz KWOIFEJPMNLCGK-CXAXULKWSA-N -1 3 283.327 2.854 20 30 CFEDHM C=CC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1ccncc1 ZINC000734555504 574292832 /nfs/dbraw/zinc/29/28/32/574292832.db2.gz VSHUOLABRDKONI-HNNXBMFYSA-N -1 3 298.342 2.843 20 30 CFEDHM COc1cccc([O-])c1/C=N\C1CCC(C)(O)CC1 ZINC000749846540 574312644 /nfs/dbraw/zinc/31/26/44/574312644.db2.gz YCWFUPVIPHVEEG-YBEGLDIGSA-N -1 3 263.337 2.513 20 30 CFEDHM C#Cc1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])nc1 ZINC000735118043 574313532 /nfs/dbraw/zinc/31/35/32/574313532.db2.gz GVLLNOZEDGFKOF-UHFFFAOYSA-N -1 3 286.718 2.983 20 30 CFEDHM Cc1cnc([C@H](C)/N=C\c2ccc(O)c([O-])c2O)s1 ZINC000749931245 574316602 /nfs/dbraw/zinc/31/66/02/574316602.db2.gz SJHGVXCBTTXUJQ-LYBSMPDRSA-N -1 3 278.333 2.748 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000735209641 574316862 /nfs/dbraw/zinc/31/68/62/574316862.db2.gz ZEVIQQJGQHRNET-UQYHUFHVSA-N -1 3 270.332 2.999 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=CC(C)(C)C)nc(C)n1 ZINC000735209436 574316926 /nfs/dbraw/zinc/31/69/26/574316926.db2.gz WNNHFZJYCPCERT-SYTKJHMZSA-N -1 3 257.337 2.872 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=CC(C)(C)C)nc(C)n1 ZINC000735209437 574316945 /nfs/dbraw/zinc/31/69/45/574316945.db2.gz WNNHFZJYCPCERT-ZHRWSRJISA-N -1 3 257.337 2.872 20 30 CFEDHM C=CC[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735409768 574322875 /nfs/dbraw/zinc/32/28/75/574322875.db2.gz KVJRAFYJBJZDFZ-JTQLQIEISA-N -1 3 270.340 2.867 20 30 CFEDHM C=CC[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735409768 574322877 /nfs/dbraw/zinc/32/28/77/574322877.db2.gz KVJRAFYJBJZDFZ-JTQLQIEISA-N -1 3 270.340 2.867 20 30 CFEDHM C=CCCCOc1ccc(-c2nnn[n-]2)cc1OCC ZINC000735413672 574322881 /nfs/dbraw/zinc/32/28/81/574322881.db2.gz XDXBTCIPWJCOPX-UHFFFAOYSA-N -1 3 274.324 2.610 20 30 CFEDHM C=CCCCOc1ccc(-c2nn[n-]n2)cc1OCC ZINC000735413672 574322883 /nfs/dbraw/zinc/32/28/83/574322883.db2.gz XDXBTCIPWJCOPX-UHFFFAOYSA-N -1 3 274.324 2.610 20 30 CFEDHM C=CCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000735417160 574324764 /nfs/dbraw/zinc/32/47/64/574324764.db2.gz ZYQGSXIIDXWPOE-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000735417160 574324765 /nfs/dbraw/zinc/32/47/65/574324765.db2.gz ZYQGSXIIDXWPOE-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccncc1 ZINC000750195694 574330325 /nfs/dbraw/zinc/33/03/25/574330325.db2.gz LILOAZXMPCDULA-OAHLLOKOSA-N -1 3 298.342 2.843 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC(CNC(=O)[O-])CC1 ZINC000739055946 574335756 /nfs/dbraw/zinc/33/57/56/574335756.db2.gz YNZSMWDJANBHQN-LBPRGKRZSA-N -1 3 287.363 2.599 20 30 CFEDHM CS[C@@H]1CC[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000743041483 574352006 /nfs/dbraw/zinc/35/20/06/574352006.db2.gz AFDPGSYJKNQWDF-UKPKIQPSSA-N -1 3 267.350 2.506 20 30 CFEDHM CCOc1ccc(/C=N\CC(C)(C)OC)c([O-])c1 ZINC000743042179 574352095 /nfs/dbraw/zinc/35/20/95/574352095.db2.gz HVVOVFCHJUCOLZ-DHDCSXOGSA-N -1 3 251.326 2.635 20 30 CFEDHM CCCCOCCOCC/N=C/c1ccccc1[O-] ZINC000743043802 574352592 /nfs/dbraw/zinc/35/25/92/574352592.db2.gz AJMJIVOLWAMRIJ-DTQAZKPQSA-N -1 3 265.353 2.644 20 30 CFEDHM CCOc1ccc(/C=N/[C@H]2CCSC2)c([O-])c1 ZINC000743045030 574352609 /nfs/dbraw/zinc/35/26/09/574352609.db2.gz WTYKZUIEVWQVRF-KYJZABPNSA-N -1 3 251.351 2.715 20 30 CFEDHM N#Cc1ccccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737727756 574354518 /nfs/dbraw/zinc/35/45/18/574354518.db2.gz RNHKCLRRMPRNJK-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1ccccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737727756 574354521 /nfs/dbraw/zinc/35/45/21/574354521.db2.gz RNHKCLRRMPRNJK-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM CCOc1ccc(/C=N/Cc2cccn2C)c([O-])c1 ZINC000743502246 574367253 /nfs/dbraw/zinc/36/72/53/574367253.db2.gz XVZIWYHOHSRZIK-MHWRWJLKSA-N -1 3 258.321 2.749 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000743501936 574367470 /nfs/dbraw/zinc/36/74/70/574367470.db2.gz TTXWDAJSXADFFN-QQZXWGPFSA-N -1 3 295.342 2.640 20 30 CFEDHM N#CC(=C([O-])C1=COCC1)c1ccc2ccccc2n1 ZINC000744015973 574375812 /nfs/dbraw/zinc/37/58/12/574375812.db2.gz FXODJKWGLKEJDU-ZDUSSCGKSA-N -1 3 264.284 2.715 20 30 CFEDHM N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000744010925 574375937 /nfs/dbraw/zinc/37/59/37/574375937.db2.gz SZFFLRGGRKFWFS-TVRMLOFPSA-N -1 3 251.289 2.705 20 30 CFEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc(C)cc1[O-] ZINC000751531912 574378603 /nfs/dbraw/zinc/37/86/03/574378603.db2.gz QGMMLZFEHBNAOS-JTQLQIEISA-N -1 3 291.420 2.687 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@@H](OC)C1(C)C ZINC000753139310 574399272 /nfs/dbraw/zinc/39/92/72/574399272.db2.gz SIXYDVRHUDHTDP-LFVFQHRSSA-N -1 3 263.337 2.633 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)nc1 ZINC000753530879 574403964 /nfs/dbraw/zinc/40/39/64/574403964.db2.gz ARKVEBULMOUNBO-AWEZNQCLSA-N -1 3 293.326 2.660 20 30 CFEDHM C[C@H]1CCCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820699179 607253237 /nfs/dbraw/zinc/25/32/37/607253237.db2.gz YEECSODNFCAQTJ-NSHDSACASA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@H]1CCCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820699179 607253238 /nfs/dbraw/zinc/25/32/38/607253238.db2.gz YEECSODNFCAQTJ-NSHDSACASA-N -1 3 284.367 2.522 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822482168 599111964 /nfs/dbraw/zinc/11/19/64/599111964.db2.gz LEKMPTHDQWVXMB-SREVYHEPSA-N -1 3 297.343 2.528 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822482168 599111967 /nfs/dbraw/zinc/11/19/67/599111967.db2.gz LEKMPTHDQWVXMB-SREVYHEPSA-N -1 3 297.343 2.528 20 30 CFEDHM CS[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095803 620637140 /nfs/dbraw/zinc/63/71/40/620637140.db2.gz KDCAJSOJXRLZFO-VIFPVBQESA-N -1 3 257.330 2.685 20 30 CFEDHM O=C([O-])C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000819375613 597082539 /nfs/dbraw/zinc/08/25/39/597082539.db2.gz RUXUOEKAQCUBBF-AWEZNQCLSA-N -1 3 291.778 2.878 20 30 CFEDHM O=C(c1ncc[nH]1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096215 620637723 /nfs/dbraw/zinc/63/77/23/620637723.db2.gz WAXDVQBBKYOFNH-UHFFFAOYSA-N -1 3 286.118 2.748 20 30 CFEDHM O=C([O-])c1cccc(CNCC#Cc2ccccc2)c1 ZINC000821551349 598204043 /nfs/dbraw/zinc/20/40/43/598204043.db2.gz HEHHGXUPMSGBCR-UHFFFAOYSA-N -1 3 265.312 2.526 20 30 CFEDHM C=CC1(CC(=O)[N-]OC2CCOCC2)CCCCC1 ZINC000935454903 649909345 /nfs/dbraw/zinc/90/93/45/649909345.db2.gz BMAUTUDHAXFUJV-UHFFFAOYSA-N -1 3 267.369 2.740 20 30 CFEDHM C=CC1(CC(=O)[N-]OCCOCC)CCCCC1 ZINC000935456459 649909710 /nfs/dbraw/zinc/90/97/10/649909710.db2.gz ZWJJTRLGUGUETD-UHFFFAOYSA-N -1 3 255.358 2.597 20 30 CFEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820455946 599357305 /nfs/dbraw/zinc/35/73/05/599357305.db2.gz OOCHQMAHOGRIIZ-LLVKDONJSA-N -1 3 290.330 2.911 20 30 CFEDHM N#Cc1cc(CN2CCCC[C@H]2CC(=O)[O-])ccc1F ZINC000236427317 602234139 /nfs/dbraw/zinc/23/41/39/602234139.db2.gz VYMUSLPPNARSPO-ZDUSSCGKSA-N -1 3 276.311 2.527 20 30 CFEDHM C[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)C1 ZINC000824859236 607654210 /nfs/dbraw/zinc/65/42/10/607654210.db2.gz OOABWDJQMPIHDF-VXGBXAGGSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000824859236 607654212 /nfs/dbraw/zinc/65/42/12/607654212.db2.gz OOABWDJQMPIHDF-VXGBXAGGSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H](CN(CC#Cc1cccc(Cl)c1)C1CC1)C(=O)[O-] ZINC000833516189 604869919 /nfs/dbraw/zinc/86/99/19/604869919.db2.gz HLXQECMJIXDMJO-GFCCVEGCSA-N -1 3 291.778 2.877 20 30 CFEDHM CC(C)N(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(C#N)cc1 ZINC000833496651 605103393 /nfs/dbraw/zinc/10/33/93/605103393.db2.gz NTYVBAHHNUYHCS-UHFFFAOYSA-N -1 3 297.358 2.995 20 30 CFEDHM C#CCCCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833362056 605360798 /nfs/dbraw/zinc/36/07/98/605360798.db2.gz XHQAJOLZIGUZIH-CYBMUJFWSA-N -1 3 283.730 2.998 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000822922474 606303001 /nfs/dbraw/zinc/30/30/01/606303001.db2.gz GMBLHZLGKCXDDF-VOTSOKGWSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000822922474 606303003 /nfs/dbraw/zinc/30/30/03/606303003.db2.gz GMBLHZLGKCXDDF-VOTSOKGWSA-N -1 3 282.328 2.824 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000819734145 606313278 /nfs/dbraw/zinc/31/32/78/606313278.db2.gz JETJNTPVKUKGAV-UHFFFAOYSA-N -1 3 291.742 2.815 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000819734145 606313279 /nfs/dbraw/zinc/31/32/79/606313279.db2.gz JETJNTPVKUKGAV-UHFFFAOYSA-N -1 3 291.742 2.815 20 30 CFEDHM C=CCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734839 606350781 /nfs/dbraw/zinc/35/07/81/606350781.db2.gz VEJDCTVHUJMWSC-NSHDSACASA-N -1 3 286.335 2.827 20 30 CFEDHM C=CCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734839 606350782 /nfs/dbraw/zinc/35/07/82/606350782.db2.gz VEJDCTVHUJMWSC-NSHDSACASA-N -1 3 286.335 2.827 20 30 CFEDHM C#CCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819693218 606939561 /nfs/dbraw/zinc/93/95/61/606939561.db2.gz OSUQLLDETXPJJN-UHFFFAOYSA-N -1 3 295.268 2.711 20 30 CFEDHM C#CCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819693218 606939562 /nfs/dbraw/zinc/93/95/62/606939562.db2.gz OSUQLLDETXPJJN-UHFFFAOYSA-N -1 3 295.268 2.711 20 30 CFEDHM C=CCC(CC=C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000819734820 606951639 /nfs/dbraw/zinc/95/16/39/606951639.db2.gz UQZBHRTWHKCDRH-UHFFFAOYSA-N -1 3 298.346 2.678 20 30 CFEDHM C=CCC(CC=C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000819734820 606951640 /nfs/dbraw/zinc/95/16/40/606951640.db2.gz UQZBHRTWHKCDRH-UHFFFAOYSA-N -1 3 298.346 2.678 20 30 CFEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000822199150 607147260 /nfs/dbraw/zinc/14/72/60/607147260.db2.gz YAYIZPMMKVPSNO-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000822199150 607147262 /nfs/dbraw/zinc/14/72/62/607147262.db2.gz YAYIZPMMKVPSNO-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM N#CCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826382017 607843065 /nfs/dbraw/zinc/84/30/65/607843065.db2.gz KZMYKFIFNPHSRK-UHFFFAOYSA-N -1 3 265.729 2.526 20 30 CFEDHM N#CCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826382017 607843066 /nfs/dbraw/zinc/84/30/66/607843066.db2.gz KZMYKFIFNPHSRK-UHFFFAOYSA-N -1 3 265.729 2.526 20 30 CFEDHM CC(=NOCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962114 608094775 /nfs/dbraw/zinc/09/47/75/608094775.db2.gz FNRXXFXYWQTSSU-UHFFFAOYSA-N -1 3 299.359 2.869 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962300 608391917 /nfs/dbraw/zinc/39/19/17/608391917.db2.gz IZWBLDGQKQVTIC-UHFFFAOYSA-N -1 3 277.353 2.611 20 30 CFEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826266053 608473678 /nfs/dbraw/zinc/47/36/78/608473678.db2.gz AAIZISQAEGBKGL-UHFFFAOYSA-N -1 3 282.307 2.523 20 30 CFEDHM CC(C)(C)CCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824087610 608535718 /nfs/dbraw/zinc/53/57/18/608535718.db2.gz ZHJJZLBVKNNUDS-UHFFFAOYSA-N -1 3 293.762 2.749 20 30 CFEDHM CC(C)(C)CCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824087610 608535719 /nfs/dbraw/zinc/53/57/19/608535719.db2.gz ZHJJZLBVKNNUDS-UHFFFAOYSA-N -1 3 293.762 2.749 20 30 CFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCCC2)n1 ZINC000826350007 608539056 /nfs/dbraw/zinc/53/90/56/608539056.db2.gz DKWFPKBCVMICEG-UHFFFAOYSA-N -1 3 291.746 2.647 20 30 CFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCCC2)n1 ZINC000826350007 608539057 /nfs/dbraw/zinc/53/90/57/608539057.db2.gz DKWFPKBCVMICEG-UHFFFAOYSA-N -1 3 291.746 2.647 20 30 CFEDHM CCCCCCN([O-])C(=O)Cn1ncc2cc(C)cnc21 ZINC000900680133 620701392 /nfs/dbraw/zinc/70/13/92/620701392.db2.gz YWVQVQUKMVYPKF-UHFFFAOYSA-N -1 3 290.367 2.538 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2cc(F)ccc2F)c1O ZINC000255084802 617954495 /nfs/dbraw/zinc/95/44/95/617954495.db2.gz LLZFRFSFIBYHPG-UHFFFAOYSA-N -1 3 265.215 2.832 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2cc(F)cc(F)c2)c1O ZINC000255026537 617759441 /nfs/dbraw/zinc/75/94/41/617759441.db2.gz UQNDSGPHDXRMSD-UHFFFAOYSA-N -1 3 265.215 2.832 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1ccnc(F)c1F ZINC000097865370 617791522 /nfs/dbraw/zinc/79/15/22/617791522.db2.gz WPIGNYLWTSWVQD-UHFFFAOYSA-N -1 3 265.244 2.545 20 30 CFEDHM C=CCCCN(CC)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000890816466 617912734 /nfs/dbraw/zinc/91/27/34/617912734.db2.gz WOBVGCMLIMUPHX-UHFFFAOYSA-N -1 3 284.359 2.956 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@]2(C#N)CCSC2)cc1 ZINC000779986350 617931401 /nfs/dbraw/zinc/93/14/01/617931401.db2.gz JIQMQCSRARMRJH-ZDUSSCGKSA-N -1 3 296.342 2.602 20 30 CFEDHM C#CCCCCCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269100 617981145 /nfs/dbraw/zinc/98/11/45/617981145.db2.gz CRZYKDWZZOXPBI-ZDUSSCGKSA-N -1 3 289.379 2.521 20 30 CFEDHM COc1ccc(NN=C(C)c2cc(F)ccc2[O-])nc1 ZINC000780270372 618084920 /nfs/dbraw/zinc/08/49/20/618084920.db2.gz HEQMHZKQNJKZCW-UHFFFAOYSA-N -1 3 275.283 2.771 20 30 CFEDHM CCC[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000177755261 618092432 /nfs/dbraw/zinc/09/24/32/618092432.db2.gz HAFATHRFFDDAHA-JTQLQIEISA-N -1 3 290.363 2.528 20 30 CFEDHM CC1(C)C[C@@H](NN=Cc2cc([O-])cc(Cl)c2)CCO1 ZINC000901222472 620773232 /nfs/dbraw/zinc/77/32/32/620773232.db2.gz KEJJAVGRTITIOA-LBPRGKRZSA-N -1 3 282.771 2.927 20 30 CFEDHM C[C@@H]1CC(NN=Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000901308508 620781596 /nfs/dbraw/zinc/78/15/96/620781596.db2.gz UBLIHSODTCBSLE-NXEZZACHSA-N -1 3 282.771 2.925 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000092469696 618180933 /nfs/dbraw/zinc/18/09/33/618180933.db2.gz KVERGAMMLUETGW-UHFFFAOYSA-N -1 3 289.253 2.658 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nnc2n1CCCC2 ZINC000255364332 618213564 /nfs/dbraw/zinc/21/35/64/618213564.db2.gz NDUDJDRVQSJLOX-PXNMLYILSA-N -1 3 290.754 2.593 20 30 CFEDHM O=C([C@@H]1C[C@H]1C1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000901373370 620798057 /nfs/dbraw/zinc/79/80/57/620798057.db2.gz XVIMDUMXTKYJRC-LSDHHAIUSA-N -1 3 293.338 2.606 20 30 CFEDHM O=C(c1cncnc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380172 620799450 /nfs/dbraw/zinc/79/94/50/620799450.db2.gz NNJSGWAXVXYDOB-UHFFFAOYSA-N -1 3 298.129 2.815 20 30 CFEDHM CC[C@H](C#N)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080192 618611908 /nfs/dbraw/zinc/61/19/08/618611908.db2.gz LMWSNFDESVAIFQ-SSDOTTSWSA-N -1 3 279.246 2.959 20 30 CFEDHM Cc1nc2c(c(=O)[n-]1)CN(CCCCC1(C#N)CCC1)C2 ZINC000931312186 618938983 /nfs/dbraw/zinc/93/89/83/618938983.db2.gz QEVBNKWCQDUBIA-UHFFFAOYSA-N -1 3 286.379 2.670 20 30 CFEDHM CCCOC(=O)CC/N=C/c1cc(Cl)ccc1[O-] ZINC000106586469 619115311 /nfs/dbraw/zinc/11/53/11/619115311.db2.gz HJKPAYBUDQFDQX-OQLLNIDSSA-N -1 3 269.728 2.808 20 30 CFEDHM C=C(C)C[C@H](NCc1cc(F)ccc1[O-])C(=O)OCC ZINC000895598243 619563408 /nfs/dbraw/zinc/56/34/08/619563408.db2.gz PRSVCGDPNYTRJM-ZDUSSCGKSA-N -1 3 281.327 2.519 20 30 CFEDHM C#CCC1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000895671068 619582791 /nfs/dbraw/zinc/58/27/91/619582791.db2.gz ZVLNVHZYHIDSMY-UHFFFAOYSA-N -1 3 297.757 2.535 20 30 CFEDHM N#CC[C@@H](NCc1c(F)ccc([O-])c1F)C(F)(F)F ZINC000896699288 619793446 /nfs/dbraw/zinc/79/34/46/619793446.db2.gz SZQDGHMWEZQGJD-SECBINFHSA-N -1 3 280.196 2.605 20 30 CFEDHM C=C1CC(c2noc(-c3cc(OC)c([O-])c(OC)c3)n2)C1 ZINC000896881139 619856790 /nfs/dbraw/zinc/85/67/90/619856790.db2.gz AKQAKGPMHMXXKG-UHFFFAOYSA-N -1 3 288.303 2.893 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCC(C)(C)C2CC2)c1[O-] ZINC000840707864 619870919 /nfs/dbraw/zinc/87/09/19/619870919.db2.gz YSIYUFGAOXCLHW-RQZCQDPDSA-N -1 3 276.380 2.833 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096135 620338024 /nfs/dbraw/zinc/33/80/24/620338024.db2.gz PBYQASUGWXOMEP-UHFFFAOYSA-N -1 3 293.367 2.906 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096135 620338027 /nfs/dbraw/zinc/33/80/27/620338027.db2.gz PBYQASUGWXOMEP-UHFFFAOYSA-N -1 3 293.367 2.906 20 30 CFEDHM C#C[C@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000923989355 620382993 /nfs/dbraw/zinc/38/29/93/620382993.db2.gz HJNWBLOGAHUTRY-HAQNSBGRSA-N -1 3 290.338 2.523 20 30 CFEDHM CCn1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1 ZINC000899345283 620547180 /nfs/dbraw/zinc/54/71/80/620547180.db2.gz JNJMJNNIYANVPS-VSBFRKNKSA-N -1 3 287.294 2.526 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2c3c(nn2C)CCC3)ccc1[O-] ZINC000899353463 620548560 /nfs/dbraw/zinc/54/85/60/620548560.db2.gz OFAWPKCJRNBELV-VQHVLOKHSA-N -1 3 282.343 2.819 20 30 CFEDHM Cn1cc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000899895056 620609758 /nfs/dbraw/zinc/60/97/58/620609758.db2.gz FZDOWRFYAJQSOI-UHFFFAOYSA-N -1 3 281.315 2.605 20 30 CFEDHM C[C@@H](NCC1(C#N)CCC1)c1cccc(C#N)c1[O-] ZINC000903035152 621230719 /nfs/dbraw/zinc/23/07/19/621230719.db2.gz JNBGLKWZUPICSQ-LLVKDONJSA-N -1 3 255.321 2.608 20 30 CFEDHM CC(C)(C)OC(=O)CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173018 621541728 /nfs/dbraw/zinc/54/17/28/621541728.db2.gz GEIMQLRRLJIBPI-UHFFFAOYSA-N -1 3 297.326 2.665 20 30 CFEDHM O=C([C@@H]1C[C@H]1c1ccco1)N([O-])Cc1ccc(F)cc1 ZINC000904178384 621543468 /nfs/dbraw/zinc/54/34/68/621543468.db2.gz HWLORDLPDZJCBY-CHWSQXEVSA-N -1 3 275.279 2.940 20 30 CFEDHM CCCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)no1 ZINC000904177971 621543568 /nfs/dbraw/zinc/54/35/68/621543568.db2.gz VDGUPOJBBXXDGR-UHFFFAOYSA-N -1 3 278.283 2.798 20 30 CFEDHM CO[C@H]1CCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904178120 621543622 /nfs/dbraw/zinc/54/36/22/621543622.db2.gz ZJXCHPSYPKFZGS-JSGCOSHPSA-N -1 3 281.327 2.749 20 30 CFEDHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N([O-])Cc1ccc(F)cc1 ZINC000904178030 621543714 /nfs/dbraw/zinc/54/37/14/621543714.db2.gz WUOUHVBOBGPFOK-SGMGOOAPSA-N -1 3 263.312 2.980 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000904206793 621544148 /nfs/dbraw/zinc/54/41/48/621544148.db2.gz IGWBKEPMYPTJJE-CABCVRRESA-N -1 3 292.379 2.957 20 30 CFEDHM CCCCN([O-])C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000904208711 621544536 /nfs/dbraw/zinc/54/45/36/621544536.db2.gz HWUJYSHNXWZBTE-UHFFFAOYSA-N -1 3 291.307 2.567 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000904209034 621544826 /nfs/dbraw/zinc/54/48/26/621544826.db2.gz QOYPWUVHOXGBPV-LBPRGKRZSA-N -1 3 281.352 2.618 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000904210716 621545384 /nfs/dbraw/zinc/54/53/84/621545384.db2.gz YQRYSGCZRCIJFR-STQMWFEESA-N -1 3 291.347 2.579 20 30 CFEDHM CO[C@@H]1CC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192503 621546310 /nfs/dbraw/zinc/54/63/10/621546310.db2.gz OGIZUSCYFAQWIV-CMPLNLGQSA-N -1 3 283.755 2.873 20 30 CFEDHM CCOC(=O)C(C)(C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904190568 621546448 /nfs/dbraw/zinc/54/64/48/621546448.db2.gz NNTQMMNOEBUXPE-UHFFFAOYSA-N -1 3 299.754 2.647 20 30 CFEDHM O=C([C@@H]1C[C@@]12CCOC2)N([O-])CCCCc1ccccc1 ZINC000904197870 621548792 /nfs/dbraw/zinc/54/87/92/621548792.db2.gz PDJXYTDIJPYJCW-DOTOQJQBSA-N -1 3 289.375 2.654 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCO[C@H](CC)C1 ZINC000904204382 621550531 /nfs/dbraw/zinc/55/05/31/621550531.db2.gz KNMGBVOLMDNUFV-CHWSQXEVSA-N -1 3 257.374 2.990 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccc(C)[nH]c1=O ZINC000904205218 621551025 /nfs/dbraw/zinc/55/10/25/621551025.db2.gz BLVNKPVSGCMWHB-UHFFFAOYSA-N -1 3 252.314 2.507 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000904205527 621551258 /nfs/dbraw/zinc/55/12/58/621551258.db2.gz LFNFTXROOTVPOR-LLVKDONJSA-N -1 3 281.400 2.939 20 30 CFEDHM CCCCN([O-])C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000904215557 621551588 /nfs/dbraw/zinc/55/15/88/621551588.db2.gz DJNUHFBRMBORQE-FUNVUKJBSA-N -1 3 267.369 2.790 20 30 CFEDHM CCCCN([O-])C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000904212377 621553852 /nfs/dbraw/zinc/55/38/52/621553852.db2.gz QDDMBDVGXCFXFE-UHFFFAOYSA-N -1 3 288.347 2.891 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)n1ccc2ccccc2c1=O ZINC000904212242 621553863 /nfs/dbraw/zinc/55/38/63/621553863.db2.gz BZMLRXDRFZMABG-GFCCVEGCSA-N -1 3 288.347 2.580 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](c1cccnc1)C(C)C ZINC000904212345 621553872 /nfs/dbraw/zinc/55/38/72/621553872.db2.gz DGSSDLIYAILRNT-ZDUSSCGKSA-N -1 3 250.342 2.839 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000904213157 621554353 /nfs/dbraw/zinc/55/43/53/621554353.db2.gz LSUWZRUIUPKDFH-CQSZACIVSA-N -1 3 287.363 2.950 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000904212964 621554470 /nfs/dbraw/zinc/55/44/70/621554470.db2.gz JJVZLTPZRSJHAM-LBPRGKRZSA-N -1 3 287.363 2.826 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)Cc1cnc2ccccc2n1 ZINC000904212963 621554561 /nfs/dbraw/zinc/55/45/61/621554561.db2.gz JJVZLTPZRSJHAM-GFCCVEGCSA-N -1 3 287.363 2.826 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000904214655 621554798 /nfs/dbraw/zinc/55/47/98/621554798.db2.gz IKBRGGOMXDJDAB-QWHCGFSZSA-N -1 3 278.308 2.716 20 30 CFEDHM CCCCN([O-])C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC000904214679 621554882 /nfs/dbraw/zinc/55/48/82/621554882.db2.gz JASVTDDAXTVEFH-UHFFFAOYSA-N -1 3 296.333 2.669 20 30 CFEDHM C=C(C)CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000905399871 621758950 /nfs/dbraw/zinc/75/89/50/621758950.db2.gz IFCFIVDPQOPQDD-LLVKDONJSA-N -1 3 284.153 2.741 20 30 CFEDHM CC(=NN[C@@H]1CCCOC1)c1ccc([O-])cc1Cl ZINC000905461350 621778505 /nfs/dbraw/zinc/77/85/05/621778505.db2.gz HUHPEDVGUODBGX-SNVBAGLBSA-N -1 3 268.744 2.538 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@H](C#N)CC(C)C)c1 ZINC000906514056 621996194 /nfs/dbraw/zinc/99/61/94/621996194.db2.gz YDOJJKXXTFZCBI-LBPRGKRZSA-N -1 3 296.317 2.841 20 30 CFEDHM CCn1nnc(C)c1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000834425338 625670482 /nfs/dbraw/zinc/67/04/82/625670482.db2.gz PXLBWESJFYDCCP-SOFGYWHQSA-N -1 3 271.320 2.517 20 30 CFEDHM CC(=NN[C@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000835014383 623933416 /nfs/dbraw/zinc/93/34/16/623933416.db2.gz RDUOWOLUDSKANE-ZDUSSCGKSA-N -1 3 282.771 2.927 20 30 CFEDHM C[C@@]1(C#N)CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000827648551 624050710 /nfs/dbraw/zinc/05/07/10/624050710.db2.gz AYANFFNILBWICI-ZDUSSCGKSA-N -1 3 295.180 2.890 20 30 CFEDHM COc1cc(C(=O)/C=C\c2c(C)n[nH]c2C)ccc1[O-] ZINC000915653552 624090709 /nfs/dbraw/zinc/09/07/09/624090709.db2.gz BOTMHYAWVNXYAX-ALCCZGGFSA-N -1 3 272.304 2.637 20 30 CFEDHM Cc1ncc(CO)c(/C=N\Cc2cc3ccccc3o2)c1[O-] ZINC000915979362 624201372 /nfs/dbraw/zinc/20/13/72/624201372.db2.gz OKAQMYHNIONNKU-NVMNQCDNSA-N -1 3 296.326 2.953 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2ccccc2)c1[O-] ZINC000920388014 624718087 /nfs/dbraw/zinc/71/80/87/624718087.db2.gz XETUANPUJZVLEX-SYYUJBFQSA-N -1 3 282.343 2.563 20 30 CFEDHM Cc1ccc(CC/N=C\c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000920864313 624776378 /nfs/dbraw/zinc/77/63/78/624776378.db2.gz RXZZNQTVVSFJCO-GRSHGNNSSA-N -1 3 298.386 2.866 20 30 CFEDHM COc1cc(C=NOC(C)C)cc(Br)c1[O-] ZINC000835004365 625952697 /nfs/dbraw/zinc/95/26/97/625952697.db2.gz RNYDUTSUDCCNIE-UHFFFAOYSA-N -1 3 288.141 2.922 20 30 CFEDHM CCOC(=O)C(C)(C)ON=Cc1c([O-])cccc1Cl ZINC000835005278 625953597 /nfs/dbraw/zinc/95/35/97/625953597.db2.gz VZACWAXONHDFDX-UHFFFAOYSA-N -1 3 285.727 2.738 20 30 CFEDHM CCCC1(C/N=C\c2c([O-])c(C)ncc2CO)CCC1 ZINC000758359127 626589593 /nfs/dbraw/zinc/58/95/93/626589593.db2.gz NYHDZHSZJJDVBV-MFOYZWKCSA-N -1 3 276.380 2.977 20 30 CFEDHM COC(=O)[C@H](CC(F)F)/N=C\c1cc(Cl)ccc1[O-] ZINC000761179419 626814084 /nfs/dbraw/zinc/81/40/84/626814084.db2.gz DPYCEYISXMFMBV-OKPUJGNGSA-N -1 3 291.681 2.661 20 30 CFEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581879 627615987 /nfs/dbraw/zinc/61/59/87/627615987.db2.gz GLWWMQNKLMZWII-UCUJLANTSA-N -1 3 294.763 2.864 20 30 CFEDHM N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc([O-])c(F)c1 ZINC000773149473 627789006 /nfs/dbraw/zinc/78/90/06/627789006.db2.gz LLXKIZSZGSQCFH-LFYBBSHMSA-N -1 3 280.258 2.896 20 30 CFEDHM N#Cc1cc(F)c(C(=O)[N-]Oc2ccccc2)c(F)c1 ZINC000774276975 627911107 /nfs/dbraw/zinc/91/11/07/627911107.db2.gz YPRVANYATJKNEJ-UHFFFAOYSA-N -1 3 274.226 2.560 20 30 CFEDHM CCOCCON=Cc1cc(Cl)cc(C)c1[O-] ZINC000774433569 627925128 /nfs/dbraw/zinc/92/51/28/627925128.db2.gz KRFUTBDYDPEOSP-UHFFFAOYSA-N -1 3 257.717 2.741 20 30 CFEDHM C=CCCOCCCCC(=O)[N-]OC1CCCC1 ZINC000775798775 628069622 /nfs/dbraw/zinc/06/96/22/628069622.db2.gz GXALNMRMLVSFOL-UHFFFAOYSA-N -1 3 255.358 2.740 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCCc2ccccc2)c1 ZINC000776273136 628125212 /nfs/dbraw/zinc/12/52/12/628125212.db2.gz BXLPBWJPROBUSE-UHFFFAOYSA-N -1 3 267.284 2.663 20 30 CFEDHM N#Cc1c(F)cccc1C(=O)Nc1ccc([O-])cc1F ZINC000779059219 628348646 /nfs/dbraw/zinc/34/86/46/628348646.db2.gz BSZICAFAKWHEFW-UHFFFAOYSA-N -1 3 274.226 2.794 20 30 CFEDHM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000779993615 628425557 /nfs/dbraw/zinc/42/55/57/628425557.db2.gz PMBZSPVAWUDARU-CYBMUJFWSA-N -1 3 266.291 2.895 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cnccc2C)nc(C)n1 ZINC000784834991 628844621 /nfs/dbraw/zinc/84/46/21/628844621.db2.gz WXJXRSAPBNGKCA-XVWMLYKFSA-N -1 3 292.342 2.687 20 30 CFEDHM N#Cc1ccc(C(=O)COC(=O)c2cc3occc3[n-]2)cc1 ZINC000786030868 628931286 /nfs/dbraw/zinc/93/12/86/628931286.db2.gz ZMUAXYBOMXQYKW-UHFFFAOYSA-N -1 3 294.266 2.672 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNCCc1ccncc1 ZINC000789094731 629125892 /nfs/dbraw/zinc/12/58/92/629125892.db2.gz WOLMMYKUQSZUGO-UHFFFAOYSA-N -1 3 275.739 2.607 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=CC2(C)CCOCC2)nc(C)n1 ZINC000835061275 629364505 /nfs/dbraw/zinc/36/45/05/629364505.db2.gz YHOFWLMETRWWAR-WSNITJDQSA-N -1 3 299.374 2.643 20 30 CFEDHM COCCCNN=C(C)c1ccc2ccccc2c1[O-] ZINC000794544018 629658516 /nfs/dbraw/zinc/65/85/16/629658516.db2.gz OCPVRLZNDISUMF-UHFFFAOYSA-N -1 3 272.348 2.896 20 30 CFEDHM COc1cc(C=NNCCC(F)(F)F)cc(Cl)c1[O-] ZINC000794551192 629660085 /nfs/dbraw/zinc/66/00/85/629660085.db2.gz AVDFVYITKPUDFC-UHFFFAOYSA-N -1 3 296.676 2.930 20 30 CFEDHM Cc1cnn(C)c1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000794697655 629676788 /nfs/dbraw/zinc/67/67/88/629676788.db2.gz LRRZGUDSGXYCGF-WPVMNKCKSA-N -1 3 286.306 2.957 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1CCF ZINC000794902017 629701696 /nfs/dbraw/zinc/70/16/96/629701696.db2.gz RTYBGFLUJDFHJD-CYBMUJFWSA-N -1 3 298.383 2.622 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@H]1CCF ZINC000794902018 629701840 /nfs/dbraw/zinc/70/18/40/629701840.db2.gz RTYBGFLUJDFHJD-ZDUSSCGKSA-N -1 3 298.383 2.622 20 30 CFEDHM Cc1c(C(=O)/C=C\c2c(F)ccc([O-])c2F)cnn1C ZINC000794944992 629708417 /nfs/dbraw/zinc/70/84/17/629708417.db2.gz JGMXAFXSVIHIGC-HYXAFXHYSA-N -1 3 278.258 2.608 20 30 CFEDHM CC(=[NH+][N-]c1cncnc1)c1ccc(N2CCCC2)cc1[O-] ZINC000794978061 629715335 /nfs/dbraw/zinc/71/53/35/629715335.db2.gz GDBHMZCQZFDIEC-UHFFFAOYSA-N -1 3 297.362 2.619 20 30 CFEDHM C[C@]12C[C@H]1CCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000799876973 630350797 /nfs/dbraw/zinc/35/07/97/630350797.db2.gz HVKNEXDBBFSHJL-HIFRSBDPSA-N -1 3 292.404 2.672 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800262104 630363854 /nfs/dbraw/zinc/36/38/54/630363854.db2.gz FROXUICFUJNCAB-VIFPVBQESA-N -1 3 277.299 2.999 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800262104 630363859 /nfs/dbraw/zinc/36/38/59/630363859.db2.gz FROXUICFUJNCAB-VIFPVBQESA-N -1 3 277.299 2.999 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800262104 630363861 /nfs/dbraw/zinc/36/38/61/630363861.db2.gz FROXUICFUJNCAB-VIFPVBQESA-N -1 3 277.299 2.999 20 30 CFEDHM C=C(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000807799821 630911148 /nfs/dbraw/zinc/91/11/48/630911148.db2.gz SUIVVRUVODLWCU-UHFFFAOYSA-N -1 3 269.300 2.541 20 30 CFEDHM C=CCO[N-]C(=O)CCC(=O)c1cc(C)sc1C ZINC000837043457 630943233 /nfs/dbraw/zinc/94/32/33/630943233.db2.gz APFDUAMSLPPCMS-UHFFFAOYSA-N -1 3 267.350 2.562 20 30 CFEDHM C=CCO[N-]C(=O)CCOc1ccccc1C(C)C ZINC000837047871 630945323 /nfs/dbraw/zinc/94/53/23/630945323.db2.gz MJUUEXGGWHHKRN-UHFFFAOYSA-N -1 3 263.337 2.813 20 30 CFEDHM C=CCO[N-]C(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000837048525 630946411 /nfs/dbraw/zinc/94/64/11/630946411.db2.gz UBLPAKVRVSEFCW-UHFFFAOYSA-N -1 3 258.321 2.643 20 30 CFEDHM Cc1csc([N-]C(=O)c2cncc(Cl)n2)c1C#N ZINC000809004312 631066892 /nfs/dbraw/zinc/06/68/92/631066892.db2.gz QCCKTFCRVPWXRJ-UHFFFAOYSA-N -1 3 278.724 2.624 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(C)nc1Cl ZINC000840199896 631363013 /nfs/dbraw/zinc/36/30/13/631363013.db2.gz LLZIIZYJFDPBME-UHFFFAOYSA-N -1 3 296.783 2.819 20 30 CFEDHM Cc1cc([O-])c(C=NN[C@@H]2CCSC2)c(Cl)c1 ZINC000841637528 631440334 /nfs/dbraw/zinc/44/03/34/631440334.db2.gz ISSBVJDVANOZSN-SECBINFHSA-N -1 3 270.785 2.783 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OC3(CC#N)CCC3)n[n-]2)o1 ZINC000810858829 631462154 /nfs/dbraw/zinc/46/21/54/631462154.db2.gz MXXFPMQMXIDFPJ-UHFFFAOYSA-N -1 3 285.303 2.971 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OC3(CC#N)CCC3)[n-]n2)o1 ZINC000810858829 631462159 /nfs/dbraw/zinc/46/21/59/631462159.db2.gz MXXFPMQMXIDFPJ-UHFFFAOYSA-N -1 3 285.303 2.971 20 30 CFEDHM CC(C)(C#N)CCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184500 631531869 /nfs/dbraw/zinc/53/18/69/631531869.db2.gz PDHDFBSWQBJLCB-UHFFFAOYSA-N -1 3 272.304 2.751 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OC[C@@H]2Cc3ccccc32)c1 ZINC000811186892 631533026 /nfs/dbraw/zinc/53/30/26/631533026.db2.gz CKQHWOQTOFMCSA-AWEZNQCLSA-N -1 3 279.295 2.761 20 30 CFEDHM [O-]c1ccc2c(c1F)CCC2=NNC[C@@H]1CCSC1 ZINC000811658538 631597281 /nfs/dbraw/zinc/59/72/81/631597281.db2.gz GZEAPJOJAFBWJI-VIFPVBQESA-N -1 3 280.368 2.524 20 30 CFEDHM COC(=O)c1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cn1C ZINC000811689426 631606327 /nfs/dbraw/zinc/60/63/27/631606327.db2.gz CXGHEXRKCFNYOG-XQRVVYSFSA-N -1 3 299.326 2.722 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2C[C@@H]2c2ccccc2)c1[O-] ZINC000843265227 631913274 /nfs/dbraw/zinc/91/32/74/631913274.db2.gz FDHWXVWLUPSUJJ-DNHMENHVSA-N -1 3 296.370 2.811 20 30 CFEDHM C=CCN(CCC#N)Cc1cc(Cl)ccc1[O-] ZINC000814171794 632021581 /nfs/dbraw/zinc/02/15/81/632021581.db2.gz UYJLVKVEMNONGW-UHFFFAOYSA-N -1 3 250.729 2.947 20 30 CFEDHM COC(=O)c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)c[n-]1 ZINC000814530972 632086150 /nfs/dbraw/zinc/08/61/50/632086150.db2.gz MGESGPZEVIEBKE-SNVBAGLBSA-N -1 3 298.298 2.591 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2CC[C@H]3CNc4cccc2c43)n1 ZINC000814681940 632107580 /nfs/dbraw/zinc/10/75/80/632107580.db2.gz BUEMUICXPQKNBA-JTQLQIEISA-N -1 3 295.346 2.610 20 30 CFEDHM Cc1nnc(C)n1N=Cc1ccc2ccccc2c1[O-] ZINC000814756296 632117776 /nfs/dbraw/zinc/11/77/76/632117776.db2.gz RXDMWSQXSYHUDB-UHFFFAOYSA-N -1 3 266.304 2.636 20 30 CFEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccco1 ZINC000814816213 632131680 /nfs/dbraw/zinc/13/16/80/632131680.db2.gz KLQDAVCUICAGRP-UHFFFAOYSA-N -1 3 292.360 2.513 20 30 CFEDHM [O-]c1c(C=NNC2CCOCC2)ccc2ccccc21 ZINC000814869023 632143221 /nfs/dbraw/zinc/14/32/21/632143221.db2.gz ANLFKHNOARKVNK-UHFFFAOYSA-N -1 3 270.332 2.648 20 30 CFEDHM CC(=NN=c1cc[n-]n1C)c1cccc(C2CC2)c1 ZINC000814907371 632158877 /nfs/dbraw/zinc/15/88/77/632158877.db2.gz HAIQRBSFYZBDJJ-UHFFFAOYSA-N -1 3 254.337 2.556 20 30 CFEDHM [O-]c1c(C=NOC[C@@H]2CCOC2)ccc2ccccc21 ZINC000814912041 632161510 /nfs/dbraw/zinc/16/15/10/632161510.db2.gz IEWFXZYICUICAV-GFCCVEGCSA-N -1 3 271.316 2.932 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000844659611 632276422 /nfs/dbraw/zinc/27/64/22/632276422.db2.gz CKRVKRAIRSOZJA-SECBINFHSA-N -1 3 297.380 2.665 20 30 CFEDHM CC(C)[C@H](F)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845846390 632579309 /nfs/dbraw/zinc/57/93/09/632579309.db2.gz TWZXYOBDJUOPCY-KBPBESRZSA-N -1 3 287.334 2.990 20 30 CFEDHM C=C(Br)CN(CC(=O)[O-])C1CCCCC1 ZINC000846273526 632679369 /nfs/dbraw/zinc/67/93/69/632679369.db2.gz YPHJGLUDRVNNLC-UHFFFAOYSA-N -1 3 276.174 2.614 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1cscc1Br ZINC000846533148 632723577 /nfs/dbraw/zinc/72/35/77/632723577.db2.gz AISAJNKGGOUQSF-UHFFFAOYSA-N -1 3 290.182 2.677 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000846538801 632727426 /nfs/dbraw/zinc/72/74/26/632727426.db2.gz UYCZJEIQPZVOJQ-UHFFFAOYSA-N -1 3 299.374 2.656 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCOc1ccccc1OCC ZINC000846540467 632729542 /nfs/dbraw/zinc/72/95/42/632729542.db2.gz WTUBQHVZYKHZJN-UHFFFAOYSA-N -1 3 293.363 2.868 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000846541373 632730014 /nfs/dbraw/zinc/73/00/14/632730014.db2.gz UYAMUCUADAGTBF-SNVBAGLBSA-N -1 3 281.739 2.925 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCOc1cccc(C)c1 ZINC000846541449 632730606 /nfs/dbraw/zinc/73/06/06/632730606.db2.gz XJSBFDQCZOQQSO-UHFFFAOYSA-N -1 3 263.337 2.778 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(OC)c(Cl)c1 ZINC000846543557 632731859 /nfs/dbraw/zinc/73/18/59/632731859.db2.gz LCNYLZZOEUTELT-SNVBAGLBSA-N -1 3 283.755 2.904 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000846545058 632732780 /nfs/dbraw/zinc/73/27/80/632732780.db2.gz TYPXDNFRBDPTLV-SNVBAGLBSA-N -1 3 258.321 2.641 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000846545055 632732802 /nfs/dbraw/zinc/73/28/02/632732802.db2.gz TYPXDNFRBDPTLV-JTQLQIEISA-N -1 3 258.321 2.641 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccccc1OCC ZINC000846544661 632732852 /nfs/dbraw/zinc/73/28/52/632732852.db2.gz XVWCNKYGMXJKTI-GFCCVEGCSA-N -1 3 263.337 2.640 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000846544756 632733155 /nfs/dbraw/zinc/73/31/55/632733155.db2.gz CJLDGDGABTWWPL-NWDGAFQWSA-N -1 3 263.337 2.811 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000846548795 632737615 /nfs/dbraw/zinc/73/76/15/632737615.db2.gz VMFIGBRISZPKLI-VIFPVBQESA-N -1 3 283.274 2.550 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000846551345 632739751 /nfs/dbraw/zinc/73/97/51/632739751.db2.gz RZIBQGQGSFKQKK-GFCCVEGCSA-N -1 3 291.347 2.671 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000846552987 632740580 /nfs/dbraw/zinc/74/05/80/632740580.db2.gz UPWZQNWZEXCZIJ-VXGBXAGGSA-N -1 3 294.782 2.789 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000846554646 632741005 /nfs/dbraw/zinc/74/10/05/632741005.db2.gz NLSAECMJVOAIJM-GHMZBOCLSA-N -1 3 279.361 2.552 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000846553033 632741186 /nfs/dbraw/zinc/74/11/86/632741186.db2.gz VZYQVSIWDNMMCT-CHWSQXEVSA-N -1 3 272.348 2.900 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000846554693 632741592 /nfs/dbraw/zinc/74/15/92/632741592.db2.gz NLSAECMJVOAIJM-WDEREUQCSA-N -1 3 279.361 2.552 20 30 CFEDHM C#C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000848924095 633405854 /nfs/dbraw/zinc/40/58/54/633405854.db2.gz NLEYKYNXRANKDL-LLVKDONJSA-N -1 3 294.192 3.000 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCO[C@H]1CC1(F)F ZINC000849171181 633578914 /nfs/dbraw/zinc/57/89/14/633578914.db2.gz ZBPGWLQPZTWWNQ-FQKZPNAISA-N -1 3 275.682 2.889 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCO[C@H]1CC1(F)F ZINC000849171182 633579054 /nfs/dbraw/zinc/57/90/54/633579054.db2.gz ZBPGWLQPZTWWNQ-JRUYLCMPSA-N -1 3 275.682 2.889 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)C2CCC(F)CC2)c1[O-] ZINC000852999191 634871476 /nfs/dbraw/zinc/87/14/76/634871476.db2.gz XXCALWSGGDQTIX-QKIMAWPGSA-N -1 3 294.370 2.924 20 30 CFEDHM C[C@H](C#N)N(Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000853546986 635033897 /nfs/dbraw/zinc/03/38/97/635033897.db2.gz KUVJHZGJFICSSR-LLVKDONJSA-N -1 3 267.332 2.817 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000855028725 635446206 /nfs/dbraw/zinc/44/62/06/635446206.db2.gz ZNHRKIDZOICDRY-ZLDLUXBVSA-N -1 3 275.348 2.811 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccccc1Br ZINC000856031078 635702423 /nfs/dbraw/zinc/70/24/23/635702423.db2.gz DIEQOYBBNDDWES-UHFFFAOYSA-N -1 3 284.153 2.616 20 30 CFEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(CC)cc1 ZINC000856028932 635704656 /nfs/dbraw/zinc/70/46/56/635704656.db2.gz RYIOUKWIOJVKEP-UHFFFAOYSA-N -1 3 275.348 2.836 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2c1cccc2CC ZINC000856032894 635708004 /nfs/dbraw/zinc/70/80/04/635708004.db2.gz WHVSAHNFUZVDCO-UHFFFAOYSA-N -1 3 272.348 2.897 20 30 CFEDHM CCN(CCC#N)Cc1c([O-])cccc1Br ZINC000862215703 637288759 /nfs/dbraw/zinc/28/87/59/637288759.db2.gz DMDQXSCOAODNJP-UHFFFAOYSA-N -1 3 283.169 2.890 20 30 CFEDHM CCCCCCCNC(=O)c1cccc2n[n-]nc21 ZINC000862357627 637331582 /nfs/dbraw/zinc/33/15/82/637331582.db2.gz AJCYHBWJTUDYAF-UHFFFAOYSA-N -1 3 260.341 2.658 20 30 CFEDHM CSCCON=Cc1c([O-])cccc1Br ZINC000863109599 637557858 /nfs/dbraw/zinc/55/78/58/637557858.db2.gz UEWXRTIYHBGARG-UHFFFAOYSA-N -1 3 290.182 2.868 20 30 CFEDHM S=c1[n-]c2ccccc2nc1N=NC[C@@H]1CCOC1 ZINC000863128260 637567297 /nfs/dbraw/zinc/56/72/97/637567297.db2.gz IVJPZTKTXKBZOD-VIFPVBQESA-N -1 3 274.349 2.727 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CC=CCC2)c1[O-] ZINC000864345553 637945684 /nfs/dbraw/zinc/94/56/84/637945684.db2.gz AFIALALGRLHNSP-VGSSETLESA-N -1 3 274.364 2.753 20 30 CFEDHM CCCn1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)nn1 ZINC000865219614 638227010 /nfs/dbraw/zinc/22/70/10/638227010.db2.gz ZBJCHNJWSJIOOX-FNORWQNLSA-N -1 3 271.320 2.598 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)cc(N(C)C)cc1C ZINC000869154387 639049702 /nfs/dbraw/zinc/04/97/02/639049702.db2.gz SDNMJGSHOMYOMB-CYBMUJFWSA-N -1 3 276.380 2.534 20 30 CFEDHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870691825 639774759 /nfs/dbraw/zinc/77/47/59/639774759.db2.gz RPHISMPEKPGNMQ-JTQLQIEISA-N -1 3 298.346 2.502 20 30 CFEDHM N#CCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000193144641 650627744 /nfs/dbraw/zinc/62/77/44/650627744.db2.gz IOIYDHPKRWIGAK-CQSZACIVSA-N -1 3 296.326 2.873 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(F)c1F ZINC000871015344 641150033 /nfs/dbraw/zinc/15/00/33/641150033.db2.gz OEYLJHBCWBTDOA-UHFFFAOYSA-N -1 3 261.218 2.792 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CCC[C@@H]2C=CCC2)c1[O-] ZINC000871596749 641361915 /nfs/dbraw/zinc/36/19/15/641361915.db2.gz CLMUQTDXCXOZMJ-OMJMQIJPSA-N -1 3 274.364 2.753 20 30 CFEDHM [O-]c1ccc(C=NNC[C@@H]2CCCC2(F)F)c(F)c1 ZINC000872406137 641795292 /nfs/dbraw/zinc/79/52/92/641795292.db2.gz SSJSSYFUZANJNQ-JTQLQIEISA-N -1 3 272.270 2.890 20 30 CFEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccco1 ZINC000872545924 641847008 /nfs/dbraw/zinc/84/70/08/641847008.db2.gz OOFDHTKLTVDDKJ-UHFFFAOYSA-N -1 3 257.355 2.550 20 30 CFEDHM C=CC[C@@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878441466 643896784 /nfs/dbraw/zinc/89/67/84/643896784.db2.gz AENRTFHCDGYPBS-SECBINFHSA-N -1 3 263.366 2.793 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000880549307 644761319 /nfs/dbraw/zinc/76/13/19/644761319.db2.gz UEOOHLWJCDZHJL-QMMMGPOBSA-N -1 3 253.264 2.977 20 30 CFEDHM C=CCCC[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000882234864 645249150 /nfs/dbraw/zinc/24/91/50/645249150.db2.gz ZINAPBDFQHNOMD-CYBMUJFWSA-N -1 3 270.336 2.632 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cccc2nn[n-]c21 ZINC000800209384 646191152 /nfs/dbraw/zinc/19/11/52/646191152.db2.gz SZVQDSXNJGFXHC-JTQLQIEISA-N -1 3 259.309 2.860 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cccc2[n-]nnc21 ZINC000800209384 646191158 /nfs/dbraw/zinc/19/11/58/646191158.db2.gz SZVQDSXNJGFXHC-JTQLQIEISA-N -1 3 259.309 2.860 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cccc2n[n-]nc21 ZINC000800209384 646191162 /nfs/dbraw/zinc/19/11/62/646191162.db2.gz SZVQDSXNJGFXHC-JTQLQIEISA-N -1 3 259.309 2.860 20 30 CFEDHM COC[C@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000887270255 647256600 /nfs/dbraw/zinc/25/66/00/647256600.db2.gz KAKXZKKNGFJKLI-ZSRUHPPJSA-N -1 3 253.729 2.890 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C2CCC=CCC2)c1[O-] ZINC000887272911 647258698 /nfs/dbraw/zinc/25/86/98/647258698.db2.gz YHKLQTITMCSSME-MFOYZWKCSA-N -1 3 260.337 2.506 20 30 CFEDHM N#Cc1ccc(COC(=O)c2ccc([O-])cc2)c(F)c1 ZINC000011297547 647881390 /nfs/dbraw/zinc/88/13/90/647881390.db2.gz SSLDRPBRVKTOIC-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM CC[C@H](NCc1nccn1CC)c1cccc(C#N)c1[O-] ZINC000926513890 648515632 /nfs/dbraw/zinc/51/56/32/648515632.db2.gz XUTXHSXZUHZTNZ-AWEZNQCLSA-N -1 3 284.363 2.721 20 30 CFEDHM C#CCN(C(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC000928626560 648937696 /nfs/dbraw/zinc/93/76/96/648937696.db2.gz KUYTXQIVXHHDQT-UHFFFAOYSA-N -1 3 259.349 2.999 20 30 CFEDHM CCc1cccc(C(=O)N[C@H](CC#N)C(F)(F)F)c1[O-] ZINC000928810540 648959375 /nfs/dbraw/zinc/95/93/75/648959375.db2.gz BGAWJDQRFJRRCH-SNVBAGLBSA-N -1 3 286.253 2.529 20 30 CFEDHM N#Cc1ccccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001210736516 770355666 /nfs/dbraw/zinc/35/56/66/770355666.db2.gz LUNUHWYPALMGPT-UHFFFAOYSA-N -1 3 252.277 2.675 20 30 CFEDHM COc1c([O-])cccc1Nc1c(C#N)cccc1C#N ZINC001216350233 770885306 /nfs/dbraw/zinc/88/53/06/770885306.db2.gz NWCYMTCWYQZSNZ-UHFFFAOYSA-N -1 3 265.272 2.888 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)Cc2ccccc2)[n-]1 ZINC001225470389 775468589 /nfs/dbraw/zinc/46/85/89/775468589.db2.gz WMELXUKOAUCWEO-GFCCVEGCSA-N -1 3 268.316 2.977 20 30 CFEDHM C[C@@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)[C@H](C)S ZINC001225852326 775613481 /nfs/dbraw/zinc/61/34/81/775613481.db2.gz FWQNNRPERLOAEM-UHNVWZDZSA-N -1 3 284.328 2.870 20 30 CFEDHM C=C[C@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852409 775613492 /nfs/dbraw/zinc/61/34/92/775613492.db2.gz IINQWFYTOYYNNB-YFKPBYRVSA-N -1 3 250.245 2.737 20 30 CFEDHM C#C[C@H](Oc1cc(COC)nc(=S)[n-]1)c1ccccc1 ZINC001225932172 775639500 /nfs/dbraw/zinc/63/95/00/775639500.db2.gz DQXDFJWMAXULIJ-ZDUSSCGKSA-N -1 3 286.356 2.665 20 30 CFEDHM CCOC(=O)[C@H]1CC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114398 775703043 /nfs/dbraw/zinc/70/30/43/775703043.db2.gz IZFAMYWATCIHDL-HKVGSQCBSA-N -1 3 277.320 2.605 20 30 CFEDHM COC(=O)CC1CCC(Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226115766 775705528 /nfs/dbraw/zinc/70/55/28/775705528.db2.gz IXAPVBMZBQCYIE-GZTJUZNOSA-N -1 3 291.347 2.995 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119291 775706991 /nfs/dbraw/zinc/70/69/91/775706991.db2.gz MURAGBKSGGQFJP-CABZTGNLSA-N -1 3 260.362 2.823 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nccc(/C=N/[O-])n2)C1 ZINC001226253315 775756599 /nfs/dbraw/zinc/75/65/99/775756599.db2.gz GQRQEONCDFAERF-PGPWHFDPSA-N -1 3 273.336 2.965 20 30 CFEDHM C=CC[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226254608 775757003 /nfs/dbraw/zinc/75/70/03/775757003.db2.gz AVXDKOUWSAPBMW-MPMPPSQCSA-N -1 3 269.304 2.981 20 30 CFEDHM N#C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226333868 775783034 /nfs/dbraw/zinc/78/30/34/775783034.db2.gz OQXYOYSOCFXEQE-ZDUSSCGKSA-N -1 3 270.244 2.944 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599369 775886748 /nfs/dbraw/zinc/88/67/48/775886748.db2.gz LZRALAJTPAQNDS-ZWNOBZJWSA-N -1 3 270.284 2.679 20 30 CFEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3cnncc32)C1 ZINC001226689072 775920839 /nfs/dbraw/zinc/92/08/39/775920839.db2.gz ZGMUVRBTPKGMLL-FZMZJTMJSA-N -1 3 298.346 2.805 20 30 CFEDHM C#C[C@H](Oc1cc(C)nc(=S)[n-]1)c1ccccc1 ZINC001226799319 775970643 /nfs/dbraw/zinc/97/06/43/775970643.db2.gz VDNHGTPYVVUBOS-LBPRGKRZSA-N -1 3 256.330 2.827 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2OC)C1 ZINC001226823122 775979363 /nfs/dbraw/zinc/97/93/63/775979363.db2.gz QVNZIXGQRKKSBN-NEPJUHHUSA-N -1 3 276.336 2.871 20 30 CFEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1OC ZINC001226829390 775982971 /nfs/dbraw/zinc/98/29/71/775982971.db2.gz ZJWZWPDQKGWJLE-SRVKXCTJSA-N -1 3 278.352 2.951 20 30 CFEDHM C=CCOc1ccccc1[C@H](C)Oc1cc(=O)[n-]cn1 ZINC001226944014 776028391 /nfs/dbraw/zinc/02/83/91/776028391.db2.gz CEQHMJDGWDVHFB-NSHDSACASA-N -1 3 272.304 2.887 20 30 CFEDHM C=CCOc1ccccc1[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093147 776093245 /nfs/dbraw/zinc/09/32/45/776093245.db2.gz HIEMTLQCAJXQPY-LLVKDONJSA-N -1 3 272.304 2.887 20 30 CFEDHM N#Cc1ccc([O-])c(OC2CN(Cc3ccccc3)C2)c1 ZINC001227346063 776181264 /nfs/dbraw/zinc/18/12/64/776181264.db2.gz RKMZGJKIMDADFR-UHFFFAOYSA-N -1 3 280.327 2.527 20 30 CFEDHM C#C[C@H](CCC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586464 776235616 /nfs/dbraw/zinc/23/56/16/776235616.db2.gz MHMVJHYXSLSACL-SECBINFHSA-N -1 3 259.227 2.987 20 30 CFEDHM C=C[C@H](Oc1[nH]c(=S)nc2nc[n-]c21)c1ccccc1 ZINC001227616902 776245904 /nfs/dbraw/zinc/24/59/04/776245904.db2.gz WYJXXPSYUSLNJJ-JTQLQIEISA-N -1 3 284.344 2.948 20 30 CFEDHM C#C[C@@H](CCC)Oc1nc2cc(C(=O)OCC)ccc2[n-]1 ZINC001227702888 776264278 /nfs/dbraw/zinc/26/42/78/776264278.db2.gz XZLRBBQXNRXOTQ-LBPRGKRZSA-N -1 3 286.331 2.920 20 30 CFEDHM C#C[C@@H](CCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746768 776278661 /nfs/dbraw/zinc/27/86/61/776278661.db2.gz UIEPRMSZMWIXPB-JTQLQIEISA-N -1 3 259.265 2.652 20 30 CFEDHM C#C[C@@H](CCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746768 776278670 /nfs/dbraw/zinc/27/86/70/776278670.db2.gz UIEPRMSZMWIXPB-JTQLQIEISA-N -1 3 259.265 2.652 20 30 CFEDHM C=C[C@@H](CCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227825619 776300192 /nfs/dbraw/zinc/30/01/92/776300192.db2.gz MTRGQQCEIKCHAA-JTQLQIEISA-N -1 3 265.309 2.697 20 30 CFEDHM COC(=O)c1ccc([O-])c(O[C@@H](C)c2ccccc2C#N)n1 ZINC001227825721 776300929 /nfs/dbraw/zinc/30/09/29/776300929.db2.gz OKVGVFDYUUBPKC-JTQLQIEISA-N -1 3 298.298 2.585 20 30 CFEDHM C#C[C@@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001228621488 776542799 /nfs/dbraw/zinc/54/27/99/776542799.db2.gz AONSFXRFFIYSNZ-CYBMUJFWSA-N -1 3 272.300 2.844 20 30 CFEDHM C=CC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)C ZINC001228687843 776569566 /nfs/dbraw/zinc/56/95/66/776569566.db2.gz CIFRVVGQMQYXDS-JTQLQIEISA-N -1 3 266.297 2.983 20 30 CFEDHM C#C[C@H](Oc1ncc(Br)cc1[O-])C(C)C ZINC001228955269 776669424 /nfs/dbraw/zinc/66/94/24/776669424.db2.gz JIQVHWFZPOKARX-JTQLQIEISA-N -1 3 270.126 2.586 20 30 CFEDHM C#C[C@H](CC(C)C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228852960 776634621 /nfs/dbraw/zinc/63/46/21/776634621.db2.gz DYDFJABLHFPIIK-GFCCVEGCSA-N -1 3 258.317 2.948 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853960 776634938 /nfs/dbraw/zinc/63/49/38/776634938.db2.gz MYOMCHDGXCDVAO-BONVTDFDSA-N -1 3 256.301 2.702 20 30 CFEDHM C#C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccncc1 ZINC001228856068 776637079 /nfs/dbraw/zinc/63/70/79/776637079.db2.gz VAYDLUJPTGCMGJ-MRXNPFEDSA-N -1 3 279.295 2.669 20 30 CFEDHM C=CC(C=C)Oc1cc(O)cc([O-])c1Br ZINC001229098220 776717116 /nfs/dbraw/zinc/71/71/16/776717116.db2.gz DBMISMBOLHLVGO-UHFFFAOYSA-N -1 3 271.110 2.980 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231074846 777133695 /nfs/dbraw/zinc/13/36/95/777133695.db2.gz YUGKGMMNIGGVNH-ZDUSSCGKSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074846 777133699 /nfs/dbraw/zinc/13/36/99/777133699.db2.gz YUGKGMMNIGGVNH-ZDUSSCGKSA-N -1 3 270.336 2.828 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231075904 777134228 /nfs/dbraw/zinc/13/42/28/777134228.db2.gz JHZJFQVJHNKFLJ-RKDXNWHRSA-N -1 3 273.267 2.546 20 30 CFEDHM N#C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3cccc(F)c32)C1 ZINC001231075903 777134372 /nfs/dbraw/zinc/13/43/72/777134372.db2.gz JHZJFQVJHNKFLJ-DTWKUNHWSA-N -1 3 273.267 2.546 20 30 CFEDHM C#C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231119032 777148815 /nfs/dbraw/zinc/14/88/15/777148815.db2.gz YCXNFLPFJOUJJM-OAHLLOKOSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231119032 777148817 /nfs/dbraw/zinc/14/88/17/777148817.db2.gz YCXNFLPFJOUJJM-OAHLLOKOSA-N -1 3 276.299 2.620 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1cc(COC)nc(=S)[n-]1 ZINC001225938813 777342366 /nfs/dbraw/zinc/34/23/66/777342366.db2.gz URPSWMNDAUIKFV-GFCCVEGCSA-N -1 3 292.404 2.895 20 30 CFEDHM COc1cc([O-])c(CN2CCC[C@H](C#N)C2)cc1Cl ZINC001232269786 777501891 /nfs/dbraw/zinc/50/18/91/777501891.db2.gz KXBIJJWIWGZKHU-SNVBAGLBSA-N -1 3 280.755 2.790 20 30 CFEDHM C#C[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335474 777895131 /nfs/dbraw/zinc/89/51/31/777895131.db2.gz WTNDDONOMXFPCG-JTQLQIEISA-N -1 3 251.276 2.516 20 30 CFEDHM Cc1cc([C@H]2CCCN2Cc2ccc(C#N)cc2[O-])no1 ZINC001233383623 777927071 /nfs/dbraw/zinc/92/70/71/777927071.db2.gz ORACWDOBIUZWLJ-OAHLLOKOSA-N -1 3 283.331 2.897 20 30 CFEDHM C#C[C@@H]1CCCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233401017 777938207 /nfs/dbraw/zinc/93/82/07/777938207.db2.gz IVUBGIXUZURCDD-LLVKDONJSA-N -1 3 279.767 2.899 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC1CC(F)(F)C1 ZINC001233801462 778080747 /nfs/dbraw/zinc/08/07/47/778080747.db2.gz AIJXBVZDXCGVNW-VIZOYTHASA-N -1 3 257.236 2.680 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001233801708 778082251 /nfs/dbraw/zinc/08/22/51/778082251.db2.gz CVIDQRBHDNPZNR-PZOQQHAYSA-N -1 3 259.305 2.847 20 30 CFEDHM C=CCOCC(COCC=C)Oc1cccc([O-])c1F ZINC001233870307 778101759 /nfs/dbraw/zinc/10/17/59/778101759.db2.gz APJURNRVBAOIRX-UHFFFAOYSA-N -1 3 282.311 2.684 20 30 CFEDHM [O-]/N=C/c1cccc(NC2(c3ccccn3)CC2)c1 ZINC001168151743 778167186 /nfs/dbraw/zinc/16/71/86/778167186.db2.gz WCROFKMAIACHQE-GZTJUZNOSA-N -1 3 253.305 2.991 20 30 CFEDHM N#Cc1cc([O-])cc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001234142096 778174697 /nfs/dbraw/zinc/17/46/97/778174697.db2.gz SUBSPQLDMDAEHT-MRXNPFEDSA-N -1 3 296.282 2.718 20 30 CFEDHM N#Cc1cc([O-])cc(OC[C@@H]2COc3cscc3O2)c1 ZINC001234143549 778174802 /nfs/dbraw/zinc/17/48/02/778174802.db2.gz DJXQWQITUHKYSN-GFCCVEGCSA-N -1 3 289.312 2.544 20 30 CFEDHM C=C(C)C[C@@H](Oc1cccc([O-])c1C(N)=O)C(=C)C ZINC001234148757 778176408 /nfs/dbraw/zinc/17/64/08/778176408.db2.gz BZJCHOPEVPXBLP-CYBMUJFWSA-N -1 3 261.321 2.781 20 30 CFEDHM CC[C@H](C#Cc1ccccc1)Oc1cccc([O-])c1C(N)=O ZINC001234151620 778176988 /nfs/dbraw/zinc/17/69/88/778176988.db2.gz DNNSUYUQTVIKBI-CQSZACIVSA-N -1 3 295.338 2.700 20 30 CFEDHM C#CC[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690843 778288794 /nfs/dbraw/zinc/28/87/94/778288794.db2.gz FSXNRUJTTZTARZ-LLVKDONJSA-N -1 3 254.289 2.640 20 30 CFEDHM C#CC[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690844 778289133 /nfs/dbraw/zinc/28/91/33/778289133.db2.gz FSXNRUJTTZTARZ-NSHDSACASA-N -1 3 254.289 2.640 20 30 CFEDHM COc1cc([O-])c(C)c(O[C@@H]2CC[C@H](C#N)C2)c1C(C)=O ZINC001234790103 778298039 /nfs/dbraw/zinc/29/80/39/778298039.db2.gz JUBHEFQSOYQABM-NWDGAFQWSA-N -1 3 289.331 2.983 20 30 CFEDHM C#C[C@H](Oc1nc2ccsc2[n-]1)c1ccncc1 ZINC001234848216 778309010 /nfs/dbraw/zinc/30/90/10/778309010.db2.gz NVWILCOIRFCJAY-NSHDSACASA-N -1 3 255.302 2.773 20 30 CFEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000127987442 778467871 /nfs/dbraw/zinc/46/78/71/778467871.db2.gz ZSYVNRWGISSHPW-ZDUSSCGKSA-N -1 3 268.272 2.549 20 30 CFEDHM N#C[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236688130 778910374 /nfs/dbraw/zinc/91/03/74/778910374.db2.gz RDHAFIPZNRMJJE-LLVKDONJSA-N -1 3 295.180 2.890 20 30 CFEDHM COc1cc([O-])c(CN(C)[C@H](C)C#N)c(Br)c1 ZINC001237067067 779003509 /nfs/dbraw/zinc/00/35/09/779003509.db2.gz FVGZZXJWHWXVAQ-MRVPVSSYSA-N -1 3 299.168 2.507 20 30 CFEDHM N#CC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237121373 779009925 /nfs/dbraw/zinc/00/99/25/779009925.db2.gz LMTKZKVPVPEZOQ-UHFFFAOYSA-N -1 3 268.719 2.920 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237164319 779034498 /nfs/dbraw/zinc/03/44/98/779034498.db2.gz IBHWADYGJNPWDM-MRVPVSSYSA-N -1 3 271.773 2.628 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)c(C#N)c(F)c1 ZINC001239934813 779871388 /nfs/dbraw/zinc/87/13/88/779871388.db2.gz YWVLSJXZLFPZFZ-UHFFFAOYSA-N -1 3 297.268 2.992 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)c(C#N)c(F)c1 ZINC001239934813 779871394 /nfs/dbraw/zinc/87/13/94/779871394.db2.gz YWVLSJXZLFPZFZ-UHFFFAOYSA-N -1 3 297.268 2.992 20 30 CFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000131767397 780324747 /nfs/dbraw/zinc/32/47/47/780324747.db2.gz WVOPGTGGIIXWTL-ZDUSSCGKSA-N -1 3 298.298 2.558 20 30 CFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000131767216 780324826 /nfs/dbraw/zinc/32/48/26/780324826.db2.gz WVOPGTGGIIXWTL-CYBMUJFWSA-N -1 3 298.298 2.558 20 30 CFEDHM N#Cc1ccc2c(c1)nccc2-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444303 780894442 /nfs/dbraw/zinc/89/44/42/780894442.db2.gz RIPANWHPHAJOKE-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1ccc2c(c1)nccc2-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444303 780894445 /nfs/dbraw/zinc/89/44/45/780894445.db2.gz RIPANWHPHAJOKE-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2OC)C1 ZINC000703704728 781050806 /nfs/dbraw/zinc/05/08/06/781050806.db2.gz UDKUHRJUXZVYJS-GFCCVEGCSA-N -1 3 275.348 2.829 20 30 CFEDHM C#Cc1cccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241921420 781183203 /nfs/dbraw/zinc/18/32/03/781183203.db2.gz ORQKXMVFZMODLQ-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1cccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241921420 781183206 /nfs/dbraw/zinc/18/32/06/781183206.db2.gz ORQKXMVFZMODLQ-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1C1=CC(=O)CC(C)(C)C1 ZINC001242318167 781396326 /nfs/dbraw/zinc/39/63/26/781396326.db2.gz SDQMLXWWVARPRP-UHFFFAOYSA-N -1 3 282.347 2.948 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1C1=CC(=O)CC(C)(C)C1 ZINC001242318167 781396331 /nfs/dbraw/zinc/39/63/31/781396331.db2.gz SDQMLXWWVARPRP-UHFFFAOYSA-N -1 3 282.347 2.948 20 30 CFEDHM Cc1cc(C#N)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242474929 781529523 /nfs/dbraw/zinc/52/95/23/781529523.db2.gz YLEOJVWGWCLYGK-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242474929 781529531 /nfs/dbraw/zinc/52/95/31/781529531.db2.gz YLEOJVWGWCLYGK-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM N#Cc1c(N)c([N+](=O)[O-])ccc1Sc1ccccc1[O-] ZINC001163879297 781601697 /nfs/dbraw/zinc/60/16/97/781601697.db2.gz YFNLJVBEHHULHO-UHFFFAOYSA-N -1 3 287.300 2.905 20 30 CFEDHM CN(C)C(=O)Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564590 781603187 /nfs/dbraw/zinc/60/31/87/781603187.db2.gz IGRBGEWLWRFMRW-UHFFFAOYSA-N -1 3 280.327 2.562 20 30 CFEDHM N#Cc1cc(-c2ccc([C@@H]3CCC(=O)N3)cc2)ccc1[O-] ZINC001242566287 781606292 /nfs/dbraw/zinc/60/62/92/781606292.db2.gz RHATWQJCCIRVQU-HNNXBMFYSA-N -1 3 278.311 2.882 20 30 CFEDHM CCCCn1c(SCC2(CC#N)CC2)n[n-]c1=O ZINC000594880296 349492348 /nfs/dbraw/zinc/49/23/48/349492348.db2.gz AVMMKTCMOKWFES-UHFFFAOYSA-N -1 3 266.370 2.570 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000594884278 349493117 /nfs/dbraw/zinc/49/31/17/349493117.db2.gz LUYHMNFYNFDYIE-UHFFFAOYSA-N -1 3 298.433 2.809 20 30 CFEDHM CC1(C)CC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000595389240 349614450 /nfs/dbraw/zinc/61/44/50/349614450.db2.gz NZEBQUMCBCXPLH-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM N#CCCN(Cc1ccco1)Cc1ccccc1[O-] ZINC000070975437 346918029 /nfs/dbraw/zinc/91/80/29/346918029.db2.gz CPYASQUXMVVTMV-UHFFFAOYSA-N -1 3 256.305 2.901 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1sccc1C#N ZINC000127986704 187345134 /nfs/dbraw/zinc/34/51/34/187345134.db2.gz YYAFLXZKJFVPHH-UHFFFAOYSA-N -1 3 259.315 2.805 20 30 CFEDHM CCOC1CC(CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596206482 349827274 /nfs/dbraw/zinc/82/72/74/349827274.db2.gz LYVFCGXKYMEYCE-UHFFFAOYSA-N -1 3 285.800 2.707 20 30 CFEDHM CC(C)[C@H]1C[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596253861 349842012 /nfs/dbraw/zinc/84/20/12/349842012.db2.gz FUXZULCGXLFZPG-GXSJLCMTSA-N -1 3 299.827 2.953 20 30 CFEDHM Cc1ccn2cc(C([O-])=C(C#N)c3ccccn3)nc2c1 ZINC000041493223 346352378 /nfs/dbraw/zinc/35/23/78/346352378.db2.gz BNQVHJSSOBAPLK-GFCCVEGCSA-N -1 3 276.299 2.528 20 30 CFEDHM COc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000045217656 346405603 /nfs/dbraw/zinc/40/56/03/346405603.db2.gz BYTMAXQINUUHTE-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM CN(C(=O)c1cccc([O-])c1)c1cccc(C#N)c1 ZINC000061954600 346686084 /nfs/dbraw/zinc/68/60/84/346686084.db2.gz PIDMDDJNNOFYRL-UHFFFAOYSA-N -1 3 252.273 2.540 20 30 CFEDHM N#Cc1nnc2ccccc2c1NCc1ccc([O-])c(F)c1 ZINC000077226593 347177932 /nfs/dbraw/zinc/17/79/32/347177932.db2.gz PXUOSNWDMXNOQK-UHFFFAOYSA-N -1 3 294.289 2.958 20 30 CFEDHM Cc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cn1 ZINC000080330512 347353759 /nfs/dbraw/zinc/35/37/59/347353759.db2.gz RHALXTDMKGVRTK-UHFFFAOYSA-N -1 3 283.291 2.599 20 30 CFEDHM Cc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cn1 ZINC000080330512 347353762 /nfs/dbraw/zinc/35/37/62/347353762.db2.gz RHALXTDMKGVRTK-UHFFFAOYSA-N -1 3 283.291 2.599 20 30 CFEDHM Cc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cn1 ZINC000080330512 347353764 /nfs/dbraw/zinc/35/37/64/347353764.db2.gz RHALXTDMKGVRTK-UHFFFAOYSA-N -1 3 283.291 2.599 20 30 CFEDHM CCC[C@@H](C#N)[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000091967087 347605398 /nfs/dbraw/zinc/60/53/98/347605398.db2.gz KXKGRONBLWVEIU-LURJTMIESA-N -1 3 274.217 2.665 20 30 CFEDHM CC[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[O-] ZINC000671996964 539578623 /nfs/dbraw/zinc/57/86/23/539578623.db2.gz XEJYXQKXHGXROH-GFCCVEGCSA-N -1 3 251.326 2.647 20 30 CFEDHM Cc1nc2c(cc(OCC(=O)N[O-])c3ccsc32)s1 ZINC000671997563 539587662 /nfs/dbraw/zinc/58/76/62/539587662.db2.gz GRRNFKRYIMXLFV-UHFFFAOYSA-N -1 3 294.357 2.704 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000280365059 348340910 /nfs/dbraw/zinc/34/09/10/348340910.db2.gz RZLDSEHTMAPZIN-ZDUSSCGKSA-N -1 3 268.316 2.967 20 30 CFEDHM N#CCCCCCC(=O)Nc1ccc([O-])cc1F ZINC000588672203 348791128 /nfs/dbraw/zinc/79/11/28/348791128.db2.gz IUASXQCPHDNKEG-UHFFFAOYSA-N -1 3 250.273 2.944 20 30 CFEDHM C=CCCOCC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000586758749 348748588 /nfs/dbraw/zinc/74/85/88/348748588.db2.gz HPAYSUDMRCSACC-UHFFFAOYSA-N -1 3 299.374 2.647 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(C)n2)s1 ZINC000588890150 348799804 /nfs/dbraw/zinc/79/98/04/348799804.db2.gz QGVUXCYRMJVOAO-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM N#CCCCCCC(=O)Nc1cccc([O-])c1F ZINC000589844012 348860552 /nfs/dbraw/zinc/86/05/52/348860552.db2.gz MKKOSHLOBGLMTJ-UHFFFAOYSA-N -1 3 250.273 2.944 20 30 CFEDHM CC1CCC(C)([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593540291 349291632 /nfs/dbraw/zinc/29/16/32/349291632.db2.gz QTCHDMKAAMNJSQ-UHFFFAOYSA-N -1 3 298.433 2.867 20 30 CFEDHM C[C@H]1CC([N-]S(=O)(=O)c2ccsc2C#N)C[C@H](C)C1 ZINC000593559367 349292802 /nfs/dbraw/zinc/29/28/02/349292802.db2.gz ZOUTUMIHGFSHKZ-NXEZZACHSA-N -1 3 298.433 2.723 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCCC1 ZINC000593563149 349293938 /nfs/dbraw/zinc/29/39/38/349293938.db2.gz RZCARJNXZSPPSX-UHFFFAOYSA-N -1 3 298.433 2.868 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@H]1C ZINC000593574949 349294382 /nfs/dbraw/zinc/29/43/82/349294382.db2.gz BSVBIBUKEFKMNR-GMTAPVOTSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@@H](C#N)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000593614138 349298819 /nfs/dbraw/zinc/29/88/19/349298819.db2.gz ZILSEXMJLQRAPL-MNOVXSKESA-N -1 3 258.321 2.782 20 30 CFEDHM CC[C@H](C#N)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000593614137 349299175 /nfs/dbraw/zinc/29/91/75/349299175.db2.gz ZILSEXMJLQRAPL-GHMZBOCLSA-N -1 3 258.321 2.782 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@H](C#N)CC(C)C)c1 ZINC000597076192 350024587 /nfs/dbraw/zinc/02/45/87/350024587.db2.gz PVZZTEBPNQGOIC-JTQLQIEISA-N -1 3 278.377 2.782 20 30 CFEDHM N#Cc1ccc(C2(NC(=O)c3csc(=O)[n-]3)CCC2)cc1 ZINC000594404069 349415104 /nfs/dbraw/zinc/41/51/04/349415104.db2.gz SSDBCWBVCUHJRO-UHFFFAOYSA-N -1 3 299.355 2.530 20 30 CFEDHM C[C@]1(C#N)CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000598414916 350263221 /nfs/dbraw/zinc/26/32/21/350263221.db2.gz JTZSDMHQRAWTGK-MRXNPFEDSA-N -1 3 290.338 2.616 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598697818 350312217 /nfs/dbraw/zinc/31/22/17/350312217.db2.gz UKGARZPPMNDGQJ-JTQLQIEISA-N -1 3 286.253 2.833 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598737414 350323462 /nfs/dbraw/zinc/32/34/62/350323462.db2.gz YBGDZLJTJAMASB-UHFFFAOYSA-N -1 3 298.264 2.953 20 30 CFEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598901641 350346297 /nfs/dbraw/zinc/34/62/97/350346297.db2.gz BDYQSTKKHFOADO-ZDUSSCGKSA-N -1 3 298.264 2.833 20 30 CFEDHM Cc1cccc([O-])c1C(=O)NCC1(C#N)CCCC1 ZINC000600070163 350505797 /nfs/dbraw/zinc/50/57/97/350505797.db2.gz FREHHUAFIWEYHT-UHFFFAOYSA-N -1 3 258.321 2.514 20 30 CFEDHM CCn1c(S[C@@H](C#N)CCc2ccccc2)n[n-]c1=O ZINC000601072870 350659275 /nfs/dbraw/zinc/65/92/75/350659275.db2.gz WDBYHHHMJAWCSN-GFCCVEGCSA-N -1 3 288.376 2.621 20 30 CFEDHM CCc1[n-]n(Cc2cccc(C#N)c2)c(=O)c1C(C)C ZINC000601946000 350813892 /nfs/dbraw/zinc/81/38/92/350813892.db2.gz XNSYQPGCUBLTIJ-HNNXBMFYSA-N -1 3 269.348 2.939 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601809432 350780545 /nfs/dbraw/zinc/78/05/45/350780545.db2.gz YKHLGAKTCXWQDQ-GWCFXTLKSA-N -1 3 290.388 2.878 20 30 CFEDHM CCc1cccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1[O-] ZINC000601823074 350786431 /nfs/dbraw/zinc/78/64/31/350786431.db2.gz VCTYOBIWSSJDAM-JSGCOSHPSA-N -1 3 272.348 2.719 20 30 CFEDHM CCc1[n-]n(-c2ccc(C#N)cc2)c(=O)c1C(C)C ZINC000601933402 350806706 /nfs/dbraw/zinc/80/67/06/350806706.db2.gz XRXWLNXGNIWYSF-CQSZACIVSA-N -1 3 255.321 2.943 20 30 CFEDHM CC(C)c1c(-c2ccccc2)[n-]n([C@H](C)CC#N)c1=O ZINC000601935649 350807913 /nfs/dbraw/zinc/80/79/13/350807913.db2.gz LHCJTIYMVNRWEM-TZMCWYRMSA-N -1 3 269.348 2.807 20 30 CFEDHM C#CCO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000291278955 197976154 /nfs/dbraw/zinc/97/61/54/197976154.db2.gz OLKGSUYZKFDHIT-UHFFFAOYSA-N -1 3 285.265 2.709 20 30 CFEDHM CC[C@](C)(C#N)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000611279806 351663334 /nfs/dbraw/zinc/66/33/34/351663334.db2.gz BAPLJTTWJHPUEJ-OAHLLOKOSA-N -1 3 260.337 2.938 20 30 CFEDHM C=C[C@@](C)(O)C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000612756859 351858863 /nfs/dbraw/zinc/85/88/63/351858863.db2.gz ZYXMDVCMSAWRDI-OAHLLOKOSA-N -1 3 263.337 2.565 20 30 CFEDHM Cc1ccc(NC(=O)CNc2cccc(C#N)c2)c([O-])c1 ZINC000122599494 187040510 /nfs/dbraw/zinc/04/05/10/187040510.db2.gz OFQHSNATKFZYCY-UHFFFAOYSA-N -1 3 281.315 2.623 20 30 CFEDHM N#C[C@]1(F)CCN(Cc2cc([O-])ccc2Br)C1 ZINC000615650790 352224379 /nfs/dbraw/zinc/22/43/79/352224379.db2.gz ANTPXPRFRRHPIK-GFCCVEGCSA-N -1 3 299.143 2.592 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000668855087 539859053 /nfs/dbraw/zinc/85/90/53/539859053.db2.gz UECQMFLBZLFJNG-SECBINFHSA-N -1 3 251.351 2.809 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1ccc([O-])c(OC)c1 ZINC000628313819 354539409 /nfs/dbraw/zinc/53/94/09/354539409.db2.gz BMHZXKMJXJLXQL-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM COc1ccc(C#N)cc1NC([O-])=NOC1CCCC1 ZINC000271816176 191344220 /nfs/dbraw/zinc/34/42/20/191344220.db2.gz PFBQKCNXAQHHGX-UHFFFAOYSA-N -1 3 275.308 2.563 20 30 CFEDHM COc1ccc(C#N)cc1NC(=O)[N-]OC1CCCC1 ZINC000271816176 191344223 /nfs/dbraw/zinc/34/42/23/191344223.db2.gz PFBQKCNXAQHHGX-UHFFFAOYSA-N -1 3 275.308 2.563 20 30 CFEDHM CC(C)ON=C([O-])Nc1ccc(C#N)cc1Cl ZINC000296908311 200030736 /nfs/dbraw/zinc/03/07/36/200030736.db2.gz CFTMLQJKJONTPT-UHFFFAOYSA-N -1 3 253.689 2.673 20 30 CFEDHM CC(C)O[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000296908311 200030738 /nfs/dbraw/zinc/03/07/38/200030738.db2.gz CFTMLQJKJONTPT-UHFFFAOYSA-N -1 3 253.689 2.673 20 30 CFEDHM C=CCn1c(=O)[n-]nc1S[C@H]1CCc2ccccc21 ZINC000683738701 540777773 /nfs/dbraw/zinc/77/77/73/540777773.db2.gz GUHRXEGHABORAI-LBPRGKRZSA-N -1 3 273.361 2.949 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(Cl)c1 ZINC000180133223 189238688 /nfs/dbraw/zinc/23/86/88/189238688.db2.gz WZSMBJSLNJZEGL-LLVKDONJSA-N -1 3 296.779 2.599 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC23CCCC3)s1 ZINC000435419744 240313392 /nfs/dbraw/zinc/31/33/92/240313392.db2.gz ZAAOWUASOJBHNL-LLVKDONJSA-N -1 3 296.417 2.621 20 30 CFEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000444227392 241127716 /nfs/dbraw/zinc/12/77/16/241127716.db2.gz YYMAQGXVMQVRME-UWVGGRQHSA-N -1 3 298.795 2.679 20 30 CFEDHM CCOc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000046439791 373054567 /nfs/dbraw/zinc/05/45/67/373054567.db2.gz ZTHSWYQEOJGCRM-CYBMUJFWSA-N -1 3 266.300 2.970 20 30 CFEDHM CN(C)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000078868628 374570865 /nfs/dbraw/zinc/57/08/65/374570865.db2.gz YFIIVBDCZQYXJY-UHFFFAOYSA-N -1 3 297.318 2.767 20 30 CFEDHM CN(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000078868628 374570874 /nfs/dbraw/zinc/57/08/74/374570874.db2.gz YFIIVBDCZQYXJY-UHFFFAOYSA-N -1 3 297.318 2.767 20 30 CFEDHM CN(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000078868628 374570882 /nfs/dbraw/zinc/57/08/82/374570882.db2.gz YFIIVBDCZQYXJY-UHFFFAOYSA-N -1 3 297.318 2.767 20 30 CFEDHM CCN(CC#N)Cc1cc([O-])ccc1Br ZINC000092399065 375107622 /nfs/dbraw/zinc/10/76/22/375107622.db2.gz WPVOITFSGYFESJ-UHFFFAOYSA-N -1 3 269.142 2.500 20 30 CFEDHM N#Cc1ccc(NC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000121441289 376831532 /nfs/dbraw/zinc/83/15/32/376831532.db2.gz CZAPTEBYQLDEJH-UHFFFAOYSA-N -1 3 285.278 2.725 20 30 CFEDHM Cc1ccc([O-])c(CN(C)Cc2cccc(C#N)c2)n1 ZINC000130752613 377605661 /nfs/dbraw/zinc/60/56/61/377605661.db2.gz PAWQCBVBPSBSCP-UHFFFAOYSA-N -1 3 267.332 2.599 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCSC1 ZINC000329847666 378505194 /nfs/dbraw/zinc/50/51/94/378505194.db2.gz PIIHIQSOKCNNBR-RXMQYKEDSA-N -1 3 280.275 2.555 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCSC1 ZINC000329847666 378505199 /nfs/dbraw/zinc/50/51/99/378505199.db2.gz PIIHIQSOKCNNBR-RXMQYKEDSA-N -1 3 280.275 2.555 20 30 CFEDHM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1csc(=O)[n-]1 ZINC000329917489 378512497 /nfs/dbraw/zinc/51/24/97/378512497.db2.gz QWDVJIIXQQYTMY-MWLCHTKSSA-N -1 3 284.381 2.749 20 30 CFEDHM Cc1cccc2c1[n-]cc(C(=O)N(C)[C@H](C)CC#N)c2=O ZINC000164597858 379019449 /nfs/dbraw/zinc/01/94/49/379019449.db2.gz GJTLUFSOGCLMAB-LLVKDONJSA-N -1 3 283.331 2.623 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N2CCC(CC#N)CC2)c1 ZINC000335317461 379077513 /nfs/dbraw/zinc/07/75/13/379077513.db2.gz ZQSPSVRZQMAJJK-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM C[C@@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000334425488 379276783 /nfs/dbraw/zinc/27/67/83/379276783.db2.gz UQKDTNJYYJMHBW-LURJTMIESA-N -1 3 258.199 2.509 20 30 CFEDHM CCc1ccc([O-])c(NC(=O)c2ccc(C#N)o2)c1 ZINC000334429426 379282669 /nfs/dbraw/zinc/28/26/69/379282669.db2.gz YYEUGYZFCHJBOU-UHFFFAOYSA-N -1 3 256.261 2.672 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc2n[n-]nc2c1 ZINC000171567990 379339656 /nfs/dbraw/zinc/33/96/56/379339656.db2.gz GSZYBIUQJDROCX-UHFFFAOYSA-N -1 3 299.378 2.750 20 30 CFEDHM CC(=O)c1ccc(C(=O)[N-]c2scc(C)c2C#N)o1 ZINC000335993904 380209851 /nfs/dbraw/zinc/20/98/51/380209851.db2.gz AUUDPJZXXJUJHI-UHFFFAOYSA-N -1 3 274.301 2.976 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000279069368 194270307 /nfs/dbraw/zinc/27/03/07/194270307.db2.gz AGBDZMWSLKOYNH-UHFFFAOYSA-N -1 3 295.191 2.633 20 30 CFEDHM CSc1ccc(C(=O)[N-]c2ccncc2C#N)o1 ZINC000336522051 380405699 /nfs/dbraw/zinc/40/56/99/380405699.db2.gz HRNJASQUFFBCSB-UHFFFAOYSA-N -1 3 259.290 2.520 20 30 CFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000178548255 380463061 /nfs/dbraw/zinc/46/30/61/380463061.db2.gz BHJIYYDPQLAZFS-SNVBAGLBSA-N -1 3 296.779 2.599 20 30 CFEDHM C=CCOc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000181001019 380723539 /nfs/dbraw/zinc/72/35/39/380723539.db2.gz OIQGQLVZBZEWJO-UHFFFAOYSA-N -1 3 270.288 2.604 20 30 CFEDHM C#CC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)C(F)F ZINC000287376461 380817682 /nfs/dbraw/zinc/81/76/82/380817682.db2.gz QTZAYRFDVCGKAI-NSHDSACASA-N -1 3 287.256 2.638 20 30 CFEDHM N#CC(=C([O-])c1ccc2c(c1)CCC=C2)c1ccncn1 ZINC000342463430 381343755 /nfs/dbraw/zinc/34/37/55/381343755.db2.gz PIKZAMZFWPINLT-OAHLLOKOSA-N -1 3 275.311 2.926 20 30 CFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000049458984 412945102 /nfs/dbraw/zinc/94/51/02/412945102.db2.gz BUXPVROGIZJGAX-ZDUSSCGKSA-N -1 3 281.315 2.754 20 30 CFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C=CCCC2)c1 ZINC000185152770 381547624 /nfs/dbraw/zinc/54/76/24/381547624.db2.gz NPEOVRFGWJISOP-NSHDSACASA-N -1 3 296.779 2.599 20 30 CFEDHM CC(C)OCc1cc(NC(=O)c2ccc(C#N)[nH]2)ccc1[O-] ZINC000290720644 381530777 /nfs/dbraw/zinc/53/07/77/381530777.db2.gz XRCLKBXFYUFOJA-UHFFFAOYSA-N -1 3 299.330 2.769 20 30 CFEDHM CCc1cnc(S(=O)(=O)CCC2(C#N)CCCCC2)[n-]1 ZINC000414222148 381571280 /nfs/dbraw/zinc/57/12/80/381571280.db2.gz MCOCLUHVYDXZDY-UHFFFAOYSA-N -1 3 295.408 2.610 20 30 CFEDHM CCc1c[n-]c(S(=O)(=O)CCC2(C#N)CCCCC2)n1 ZINC000414222148 381571288 /nfs/dbraw/zinc/57/12/88/381571288.db2.gz MCOCLUHVYDXZDY-UHFFFAOYSA-N -1 3 295.408 2.610 20 30 CFEDHM C=CCN(CCc1ccco1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000299182781 381855418 /nfs/dbraw/zinc/85/54/18/381855418.db2.gz ZLYSWJIHVLEGIQ-CYBMUJFWSA-N -1 3 287.363 2.875 20 30 CFEDHM N#CC(=C([O-])c1cccnc1)c1cc(C(F)(F)F)ccn1 ZINC000362184318 381949285 /nfs/dbraw/zinc/94/92/85/381949285.db2.gz IUOJBXXPXZDHNF-NSHDSACASA-N -1 3 291.232 2.985 20 30 CFEDHM COc1ccc([O-])cc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000186567484 381950428 /nfs/dbraw/zinc/95/04/28/381950428.db2.gz AENWOKPBHDRTEP-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2cccc(F)c2C#N)n1 ZINC000357072111 381997996 /nfs/dbraw/zinc/99/79/96/381997996.db2.gz KFMMZGMDVPGMPM-WAYWQWQTSA-N -1 3 255.252 2.672 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000300706588 382066862 /nfs/dbraw/zinc/06/68/62/382066862.db2.gz AMLNFQNGFFHOAM-FOGDFJRCSA-N -1 3 298.433 2.723 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2cscc2C#N)c1 ZINC000343923175 382023278 /nfs/dbraw/zinc/02/32/78/382023278.db2.gz YBFWDTVHTBTXBU-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cscn3)nc21 ZINC000345405136 382300827 /nfs/dbraw/zinc/30/08/27/382300827.db2.gz VWWAHJZPNBOAPC-VIFPVBQESA-N -1 3 282.328 2.818 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cscn3)[nH]c21 ZINC000345405136 382300833 /nfs/dbraw/zinc/30/08/33/382300833.db2.gz VWWAHJZPNBOAPC-VIFPVBQESA-N -1 3 282.328 2.818 20 30 CFEDHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000311886074 382508903 /nfs/dbraw/zinc/50/89/03/382508903.db2.gz XAKCTWMHVXRPDO-GFCCVEGCSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cc(C(=O)N(CCC#N)Cc2cccnc2)ccc1[O-] ZINC000318554169 382531263 /nfs/dbraw/zinc/53/12/63/382531263.db2.gz MXJAKOKWQDAUMR-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM C=CCN(CCOC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000191963212 382703798 /nfs/dbraw/zinc/70/37/98/382703798.db2.gz GGEFIGBNIJIHHK-UHFFFAOYSA-N -1 3 289.375 2.546 20 30 CFEDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230340715 382859595 /nfs/dbraw/zinc/85/95/95/382859595.db2.gz GDLXPPVJJBRVFX-JTQLQIEISA-N -1 3 286.422 2.723 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000538288437 382959280 /nfs/dbraw/zinc/95/92/80/382959280.db2.gz ZELXWNPSLGWGPL-JTQLQIEISA-N -1 3 289.347 2.988 20 30 CFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000539813815 382962292 /nfs/dbraw/zinc/96/22/92/382962292.db2.gz LZDHYBCZZLHZSM-AWEZNQCLSA-N -1 3 298.383 2.573 20 30 CFEDHM C=CCCCCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000579141907 382987721 /nfs/dbraw/zinc/98/77/21/382987721.db2.gz UNZMZVSOIBACTR-UHFFFAOYSA-N -1 3 284.363 2.948 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000579673347 383040175 /nfs/dbraw/zinc/04/01/75/383040175.db2.gz LATRZESMMOVIOH-SKDRFNHKSA-N -1 3 267.712 2.575 20 30 CFEDHM C=C(C)CON=C([O-])Nc1ccc(NC(=O)OCC)cc1 ZINC000496473313 383105066 /nfs/dbraw/zinc/10/50/66/383105066.db2.gz BFORYMWLGCAXML-UHFFFAOYSA-N -1 3 293.323 2.884 20 30 CFEDHM C=C(C)CO[N-]C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000496473313 383105068 /nfs/dbraw/zinc/10/50/68/383105068.db2.gz BFORYMWLGCAXML-UHFFFAOYSA-N -1 3 293.323 2.884 20 30 CFEDHM CC1(C)Cc2cc(C([O-])=C(C#N)c3ccncn3)ccc2O1 ZINC000584528832 383110728 /nfs/dbraw/zinc/11/07/28/383110728.db2.gz ACXNCDIICXKFKK-CYBMUJFWSA-N -1 3 293.326 2.680 20 30 CFEDHM C=CCC1(NC(=O)c2csc(=O)[n-]2)CCCCC1 ZINC000565876460 383181910 /nfs/dbraw/zinc/18/19/10/383181910.db2.gz QOVAIXJXPJEGQK-UHFFFAOYSA-N -1 3 266.366 2.858 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(CC)c1[O-] ZINC000515120008 383158548 /nfs/dbraw/zinc/15/85/48/383158548.db2.gz PPYMEGCYBKSCAI-CJNGLKHVSA-N -1 3 289.375 2.666 20 30 CFEDHM N#C[C@H]1CC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000424966762 383299538 /nfs/dbraw/zinc/29/95/38/383299538.db2.gz NWWVIIPAYMHJGL-QWHCGFSZSA-N -1 3 290.338 2.662 20 30 CFEDHM CCc1ccc(C(=O)N(CCC#N)C(C)C)c([O-])c1 ZINC000527292263 383468538 /nfs/dbraw/zinc/46/85/38/383468538.db2.gz PTJSEOVNRIYAGC-UHFFFAOYSA-N -1 3 260.337 2.719 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cncs3)nc21 ZINC000429665688 383556046 /nfs/dbraw/zinc/55/60/46/383556046.db2.gz ZYXTVPNYFAAIHT-SECBINFHSA-N -1 3 282.328 2.818 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cncs3)[nH]c21 ZINC000429665688 383556048 /nfs/dbraw/zinc/55/60/48/383556048.db2.gz ZYXTVPNYFAAIHT-SECBINFHSA-N -1 3 282.328 2.818 20 30 CFEDHM C[C@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])cc2C#N)cn1 ZINC000489944374 383645342 /nfs/dbraw/zinc/64/53/42/383645342.db2.gz FOWUDFMRTUMXOJ-SECBINFHSA-N -1 3 298.306 2.773 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320051 383762660 /nfs/dbraw/zinc/76/26/60/383762660.db2.gz CGYTWVYLNBWUQI-LLVKDONJSA-N -1 3 289.379 2.668 20 30 CFEDHM COc1cc(/C=C/c2ccncc2C#N)ccc1[O-] ZINC000436579928 383844093 /nfs/dbraw/zinc/84/40/93/383844093.db2.gz VVGRCBTXZAZOJI-DUXPYHPUSA-N -1 3 252.273 2.838 20 30 CFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267953414 384497321 /nfs/dbraw/zinc/49/73/21/384497321.db2.gz CAAITJPRICXAII-AWEZNQCLSA-N -1 3 283.331 2.608 20 30 CFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000268450199 384622197 /nfs/dbraw/zinc/62/21/97/384622197.db2.gz RGSVULLJOSILIY-MMQHEFTJSA-N -1 3 296.367 2.654 20 30 CFEDHM C=CCC[C@@H](C(=O)Nc1nnc(OC)[n-]1)c1ccccc1 ZINC000187484648 260039215 /nfs/dbraw/zinc/03/92/15/260039215.db2.gz YHGNESALHGXETK-GFCCVEGCSA-N -1 3 286.335 2.502 20 30 CFEDHM C=CCC[C@@H](C(=O)Nc1n[n-]c(OC)n1)c1ccccc1 ZINC000187484648 260039217 /nfs/dbraw/zinc/03/92/17/260039217.db2.gz YHGNESALHGXETK-GFCCVEGCSA-N -1 3 286.335 2.502 20 30 CFEDHM C=CCC[C@@H](C(=O)Nc1nc(OC)n[n-]1)c1ccccc1 ZINC000187484648 260039220 /nfs/dbraw/zinc/03/92/20/260039220.db2.gz YHGNESALHGXETK-GFCCVEGCSA-N -1 3 286.335 2.502 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000281678014 195333144 /nfs/dbraw/zinc/33/31/44/195333144.db2.gz YCORJQITECNKQE-VIFPVBQESA-N -1 3 275.320 2.598 20 30 CFEDHM COc1c(C)cc(C([O-])=C(C#N)c2ccncn2)cc1C ZINC000354477885 533393726 /nfs/dbraw/zinc/39/37/26/533393726.db2.gz UCUVAUQRCQKELW-ZDUSSCGKSA-N -1 3 281.315 2.592 20 30 CFEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000268717882 132055531 /nfs/dbraw/zinc/05/55/31/132055531.db2.gz FIBGYHKURGRLPJ-UHFFFAOYSA-N -1 3 289.379 2.699 20 30 CFEDHM CCc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1C ZINC000305982964 393504167 /nfs/dbraw/zinc/50/41/67/393504167.db2.gz IFMXKFNWLZLNPI-ZDUSSCGKSA-N -1 3 266.366 2.601 20 30 CFEDHM C[C@@H](CC#N)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188802948 393567996 /nfs/dbraw/zinc/56/79/96/393567996.db2.gz JVZYHARCTBZHKG-ZETCQYMHSA-N -1 3 294.767 2.824 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1[O-] ZINC000335158939 393648662 /nfs/dbraw/zinc/64/86/62/393648662.db2.gz YDSNHVNPPYYMCI-AMIZOPFISA-N -1 3 264.712 2.842 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1cc(Br)ccc1[O-] ZINC000093090373 393794911 /nfs/dbraw/zinc/79/49/11/393794911.db2.gz XAUSRYDICSHISL-VIFPVBQESA-N -1 3 283.169 2.889 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000342986839 393876802 /nfs/dbraw/zinc/87/68/02/393876802.db2.gz CUUBUDHRMAILEA-JTQLQIEISA-N -1 3 288.800 2.758 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C)cc1OCC ZINC000120087451 393929461 /nfs/dbraw/zinc/92/94/61/393929461.db2.gz PYMXLSJRKIJKOC-UHFFFAOYSA-N -1 3 269.366 2.712 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000416958893 393946741 /nfs/dbraw/zinc/94/67/41/393946741.db2.gz PJVPMAZQVBOQNV-AWEZNQCLSA-N -1 3 294.376 2.519 20 30 CFEDHM C=CCN(Cc1ccccc1F)C(=O)c1csc(=O)[n-]1 ZINC000348902096 393960453 /nfs/dbraw/zinc/96/04/53/393960453.db2.gz STJMSVSTRWWQNF-UHFFFAOYSA-N -1 3 292.335 2.816 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)c(F)c1 ZINC000417625081 393985782 /nfs/dbraw/zinc/98/57/82/393985782.db2.gz LTFYBUWGGZSTCZ-SNVBAGLBSA-N -1 3 271.719 2.988 20 30 CFEDHM CCc1ccc(C(=O)NCc2cc(C#N)ccc2F)c([O-])c1 ZINC000436834173 394026878 /nfs/dbraw/zinc/02/68/78/394026878.db2.gz OEZKNJVECBVQIS-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM C#CC[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000492523730 394070416 /nfs/dbraw/zinc/07/04/16/394070416.db2.gz XVWYFTDJHRDAQY-FVNWOWOISA-N -1 3 292.338 2.681 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1c(C)cccc1F ZINC000356254478 394076153 /nfs/dbraw/zinc/07/61/53/394076153.db2.gz OCKLNFNCHXWPTE-UHFFFAOYSA-N -1 3 271.357 2.769 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(OC)c(OCC)c1 ZINC000493128709 394157741 /nfs/dbraw/zinc/15/77/41/394157741.db2.gz UJRGZLQDJNJADK-VPUINMBXSA-N -1 3 291.347 2.729 20 30 CFEDHM C=CCO[N-]C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000493339688 394215067 /nfs/dbraw/zinc/21/50/67/394215067.db2.gz UDXKVEAUEXMQJV-VQHVLOKHSA-N -1 3 291.347 2.729 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 ZINC000493339685 394215279 /nfs/dbraw/zinc/21/52/79/394215279.db2.gz UDXKVEAUEXMQJV-CLFYSBASSA-N -1 3 291.347 2.729 20 30 CFEDHM C[C@@](C#N)(NC(=O)/C=C/c1cncc([O-])c1)C1CCCCC1 ZINC000493342898 394216911 /nfs/dbraw/zinc/21/69/11/394216911.db2.gz ZUVHXHFSRRXRPH-OZSKJFCKSA-N -1 3 299.374 2.779 20 30 CFEDHM CCc1n[n-]c(=NOC[C@@H](C)CC)c(C#N)c1CC ZINC000291793237 394260537 /nfs/dbraw/zinc/26/05/37/394260537.db2.gz IZOWUXGROZFBJJ-JTQLQIEISA-N -1 3 262.357 2.863 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000156419258 394333747 /nfs/dbraw/zinc/33/37/47/394333747.db2.gz XDXVFMQACHCJBL-ZWNOBZJWSA-N -1 3 296.367 2.554 20 30 CFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCC1CC1 ZINC000157751643 394349591 /nfs/dbraw/zinc/34/95/91/394349591.db2.gz REUIJWGMIGMPNO-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000166996049 394369895 /nfs/dbraw/zinc/36/98/95/394369895.db2.gz SMCMFWGMQMAHFJ-NSHDSACASA-N -1 3 283.331 2.671 20 30 CFEDHM CC[C@](C)(C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000537638087 394588765 /nfs/dbraw/zinc/58/87/65/394588765.db2.gz HAOCCQVUSZCENO-MRXNPFEDSA-N -1 3 272.348 2.693 20 30 CFEDHM CC[C@](C)(C#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000538741255 394613333 /nfs/dbraw/zinc/61/33/33/394613333.db2.gz LIMLRUNNIWFGBL-MRXNPFEDSA-N -1 3 288.347 2.528 20 30 CFEDHM C=CCOCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000649358473 395477892 /nfs/dbraw/zinc/47/78/92/395477892.db2.gz VWAZUAXPJBJNRP-UHFFFAOYSA-N -1 3 299.370 2.797 20 30 CFEDHM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263355 413385904 /nfs/dbraw/zinc/38/59/04/413385904.db2.gz LMAPSJAEBYLQJD-NEPJUHHUSA-N -1 3 280.331 2.665 20 30 CFEDHM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1ccncn1 ZINC000651339957 413411887 /nfs/dbraw/zinc/41/18/87/413411887.db2.gz BGSNDYXZPKMKLY-GFCCVEGCSA-N -1 3 266.304 2.562 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccs1 ZINC000344311118 162005120 /nfs/dbraw/zinc/00/51/20/162005120.db2.gz XKBPPKMPJYOKRJ-SNVBAGLBSA-N -1 3 296.373 2.642 20 30 CFEDHM COc1cccc(NC(=O)c2ccc(C#N)cc2C)c1[O-] ZINC000352867094 163256801 /nfs/dbraw/zinc/25/68/01/163256801.db2.gz FOOXAGQGVTWFEC-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM C=C(C)CCc1noc(-c2cccc(OC)c2[O-])n1 ZINC000285056496 196187110 /nfs/dbraw/zinc/18/71/10/196187110.db2.gz HYXZJUUUUJXCIC-UHFFFAOYSA-N -1 3 260.293 2.960 20 30 CFEDHM N#CC(=C([O-])c1ccc(C2CC2)cc1)c1ccncn1 ZINC000659114506 414441032 /nfs/dbraw/zinc/44/10/32/414441032.db2.gz DXVKAEHJHZPTGB-CQSZACIVSA-N -1 3 263.300 2.844 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000660142876 414669315 /nfs/dbraw/zinc/66/93/15/414669315.db2.gz GMLVWEMNAFMLPG-UHFFFAOYSA-N -1 3 289.347 2.988 20 30 CFEDHM C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]c1nncn1C1CC1 ZINC000329130807 227317434 /nfs/dbraw/zinc/31/74/34/227317434.db2.gz XHJJVSAQVOGTNF-PWSUYJOCSA-N -1 3 278.356 2.796 20 30 CFEDHM Cn1cc([C@@H](NC(=O)c2csc(=O)[n-]2)C(C)(C)C)cn1 ZINC000329993654 228010193 /nfs/dbraw/zinc/01/01/93/228010193.db2.gz YNVHSGRFNRAYIS-SNVBAGLBSA-N -1 3 294.380 2.674 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313213448 260261886 /nfs/dbraw/zinc/26/18/86/260261886.db2.gz WQMKAKJDWNQFGN-NSHDSACASA-N -1 3 271.357 2.767 20 30 CFEDHM N#CCCN(Cc1cc([O-])cc(F)c1)Cc1ccccn1 ZINC000186214670 262084320 /nfs/dbraw/zinc/08/43/20/262084320.db2.gz TYDYAOKDNCXMEI-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM Cc1ccc2[n-]cc(C(=O)N(C)[C@@H](C)CC#N)c(=O)c2c1 ZINC000273281511 263014556 /nfs/dbraw/zinc/01/45/56/263014556.db2.gz WRASKGFMAXZLAI-NSHDSACASA-N -1 3 283.331 2.623 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000353193631 263055560 /nfs/dbraw/zinc/05/55/60/263055560.db2.gz RTIKRXXNAMMSNB-LLVKDONJSA-N -1 3 298.364 2.536 20 30 CFEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])[C@H]1CCOC1 ZINC000281103772 263066585 /nfs/dbraw/zinc/06/65/85/263066585.db2.gz WKGXLDXEWQVCDQ-LOQOIXNESA-N -1 3 298.180 2.999 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000293257321 263138904 /nfs/dbraw/zinc/13/89/04/263138904.db2.gz FRKDQRZKQALSDF-NSHDSACASA-N -1 3 256.296 2.786 20 30 CFEDHM CC[C@@H](CC#N)NCc1cc(Cl)c(F)cc1[O-] ZINC000293614824 263144840 /nfs/dbraw/zinc/14/48/40/263144840.db2.gz MBTIRKKCHCSIKX-VIFPVBQESA-N -1 3 256.708 2.967 20 30 CFEDHM CC1(C#N)CN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000297542081 263206439 /nfs/dbraw/zinc/20/64/39/263206439.db2.gz YSFJKVYJGJLJAA-UHFFFAOYSA-N -1 3 270.254 2.756 20 30 CFEDHM CCOc1cc(CN(CC#N)C2CC2)cc(Cl)c1[O-] ZINC000297751476 263209235 /nfs/dbraw/zinc/20/92/35/263209235.db2.gz LCIIZXDMSZFQPN-UHFFFAOYSA-N -1 3 280.755 2.932 20 30 CFEDHM CC(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000340875088 263310265 /nfs/dbraw/zinc/31/02/65/263310265.db2.gz LIIBXVRWMMGEBG-AWEZNQCLSA-N -1 3 264.284 2.774 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000340889647 263312137 /nfs/dbraw/zinc/31/21/37/263312137.db2.gz QBGBWMLLBXLEFE-ZETCQYMHSA-N -1 3 297.273 2.697 20 30 CFEDHM CCSCc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1 ZINC000416958996 263768558 /nfs/dbraw/zinc/76/85/58/263768558.db2.gz MRZQPETZANWIIE-ZDUSSCGKSA-N -1 3 298.433 2.984 20 30 CFEDHM Cc1nn(C(C)(C)C)cc1C(=O)NCc1ncccc1[O-] ZINC000331030426 264119427 /nfs/dbraw/zinc/11/94/27/264119427.db2.gz YTFUQZHFEFVKTO-UHFFFAOYSA-N -1 3 288.351 2.552 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)ccc1[O-] ZINC000331227812 264151547 /nfs/dbraw/zinc/15/15/47/264151547.db2.gz FWKTUOVYSUSMGQ-WFASDCNBSA-N -1 3 275.348 2.986 20 30 CFEDHM C=CCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000128525735 264290567 /nfs/dbraw/zinc/29/05/67/264290567.db2.gz DNNDMLNAHARYFF-UHFFFAOYSA-N -1 3 298.371 2.777 20 30 CFEDHM C[C@@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094062339 265213444 /nfs/dbraw/zinc/21/34/44/265213444.db2.gz AOFOVXZXFPQDOF-LBPRGKRZSA-N -1 3 296.326 2.613 20 30 CFEDHM Cc1cn2cc(C([O-])=C(C#N)c3ccccn3)sc2n1 ZINC000356173639 266062731 /nfs/dbraw/zinc/06/27/31/266062731.db2.gz XWBXULWOCGULNJ-JTQLQIEISA-N -1 3 282.328 2.589 20 30 CFEDHM C=C[C@@](C)(O)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000356283628 266086704 /nfs/dbraw/zinc/08/67/04/266086704.db2.gz QUVVJVJHKAWRRH-MRXNPFEDSA-N -1 3 277.364 2.955 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccccc3)nc1-2 ZINC000357661292 266342496 /nfs/dbraw/zinc/34/24/96/266342496.db2.gz HEDRQFFUFPVKKD-GFCCVEGCSA-N -1 3 276.299 2.756 20 30 CFEDHM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1ccccn1 ZINC000357987244 266392875 /nfs/dbraw/zinc/39/28/75/266392875.db2.gz AATIDRCULOFCDD-JTQLQIEISA-N -1 3 289.241 2.568 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000230341415 267027730 /nfs/dbraw/zinc/02/77/30/267027730.db2.gz BEKIFFLHPBXHPM-OUAUKWLOSA-N -1 3 298.433 2.723 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000362716963 267038672 /nfs/dbraw/zinc/03/86/72/267038672.db2.gz OWGINWORGBGUJB-UHFFFAOYSA-N -1 3 293.388 2.987 20 30 CFEDHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523520354 270455633 /nfs/dbraw/zinc/45/56/33/270455633.db2.gz PWLWFAIFAOJCSC-UHFFFAOYSA-N -1 3 298.383 2.802 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000293432639 277823442 /nfs/dbraw/zinc/82/34/42/277823442.db2.gz JCHOQNMBENIPLP-SECBINFHSA-N -1 3 284.262 2.983 20 30 CFEDHM C[C@H]1CCN(C(=O)c2ccc(C#N)n2C)c2c([O-])cccc21 ZINC000336259364 279709302 /nfs/dbraw/zinc/70/93/02/279709302.db2.gz ZLVUFOJHSPWNJL-NSHDSACASA-N -1 3 295.342 2.756 20 30 CFEDHM CCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000126517373 280654053 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CFEDHM Cc1ccc(F)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737345407 574136981 /nfs/dbraw/zinc/13/69/81/574136981.db2.gz QSSPUNBESGGAEF-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1nccs1 ZINC000737442349 574141575 /nfs/dbraw/zinc/14/15/75/574141575.db2.gz CJUJIKDZXHSCQC-JGSGYBEMSA-N -1 3 291.376 2.615 20 30 CFEDHM COc1ccc(CCNN=C(C)c2ccccc2[O-])cc1 ZINC000737439929 574141796 /nfs/dbraw/zinc/14/17/96/574141796.db2.gz PAFHUGKDPOMPPH-UHFFFAOYSA-N -1 3 284.359 2.957 20 30 CFEDHM N#CC(=C([O-])C=C1CCCC1)c1nnc2n1CCCCC2 ZINC000746416229 574148502 /nfs/dbraw/zinc/14/85/02/574148502.db2.gz LMODBEWDAGDXCH-ZDUSSCGKSA-N -1 3 284.363 2.681 20 30 CFEDHM N#CCCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737688063 574151603 /nfs/dbraw/zinc/15/16/03/574151603.db2.gz OZWJUZCDIZMSDH-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM N#CCCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737688063 574151606 /nfs/dbraw/zinc/15/16/06/574151606.db2.gz OZWJUZCDIZMSDH-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM CC(=O)Nc1ccc([O-])c(C(C)=NOCc2cccnc2)c1 ZINC000746585656 574155988 /nfs/dbraw/zinc/15/59/88/574155988.db2.gz JKSZLKMLSAJTGG-UHFFFAOYSA-N -1 3 299.330 2.686 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NOCc1cccnc1 ZINC000746588642 574156552 /nfs/dbraw/zinc/15/65/52/574156552.db2.gz QPUHQMPGYGBBOA-UHFFFAOYSA-N -1 3 262.696 2.991 20 30 CFEDHM CC(C)c1ocnc1C([O-])=C(C#N)c1ccccn1 ZINC000732495130 574158582 /nfs/dbraw/zinc/15/85/82/574158582.db2.gz RCWFPRVVPKBOPO-SNVBAGLBSA-N -1 3 255.277 2.683 20 30 CFEDHM [O-]c1ccc(C=NNc2nc3ccccc3[nH]2)cc1F ZINC000755490316 574165313 /nfs/dbraw/zinc/16/53/13/574165313.db2.gz MPNOCSQXEUTCEE-UHFFFAOYSA-N -1 3 270.267 2.854 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1csc(N(C)C)n1 ZINC000746815784 574166780 /nfs/dbraw/zinc/16/67/80/574166780.db2.gz NJTKFELDFMNCGE-NVNXTCNLSA-N -1 3 291.376 2.542 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)c1ccccc1C ZINC000732713836 574166875 /nfs/dbraw/zinc/16/68/75/574166875.db2.gz MFOBQCUISIOOSH-VHWUNXFSSA-N -1 3 285.343 2.862 20 30 CFEDHM C=CCn1c(C)cc(C(=O)CO[N-]C(=O)C(C)(C)C)c1C ZINC000732806092 574173457 /nfs/dbraw/zinc/17/34/57/574173457.db2.gz UNTJYQLSLSEIJX-UHFFFAOYSA-N -1 3 292.379 2.568 20 30 CFEDHM Cc1ncc(C=CC([O-])=C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899657 574176948 /nfs/dbraw/zinc/17/69/48/574176948.db2.gz AAYIJDPHQXKCPJ-MUBLQREKSA-N -1 3 298.371 2.748 20 30 CFEDHM [O-]c1c(F)cccc1CN=Nc1cnc2ccccc2n1 ZINC000755682726 574178110 /nfs/dbraw/zinc/17/81/10/574178110.db2.gz JZHQRSVWQQBYPO-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM [O-]c1c(F)cccc1C=NNc1cnc2ccccc2n1 ZINC000755682726 574178112 /nfs/dbraw/zinc/17/81/12/574178112.db2.gz JZHQRSVWQQBYPO-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM CCOc1ccc(/C=N\C[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000729150475 574179545 /nfs/dbraw/zinc/17/95/45/574179545.db2.gz VVWILFJXAZVSBG-JJBLJPBOSA-N -1 3 299.370 2.813 20 30 CFEDHM CC(=O)NCc1ccc(N=Cc2ccccc2[O-])cc1 ZINC000733081365 574187226 /nfs/dbraw/zinc/18/72/26/574187226.db2.gz WGZOQYKQZINUBL-UHFFFAOYSA-N -1 3 268.316 2.779 20 30 CFEDHM COc1ccc(C#N)cc1N=Cc1cccc([O-])c1O ZINC000747362113 574192641 /nfs/dbraw/zinc/19/26/41/574192641.db2.gz NHLJAAGFEGTDSM-UHFFFAOYSA-N -1 3 268.272 2.729 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739054086 574194971 /nfs/dbraw/zinc/19/49/71/574194971.db2.gz OPVCTRMABGUJIZ-GXTWGEPZSA-N -1 3 287.363 2.599 20 30 CFEDHM N#Cc1ccc(F)c(CNC2(C(=O)[O-])CCCCC2)c1 ZINC000739117357 574199251 /nfs/dbraw/zinc/19/92/51/574199251.db2.gz DLXLRNDZVBCGMK-UHFFFAOYSA-N -1 3 276.311 2.574 20 30 CFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(Cl)cc2)c1[O-] ZINC000747708329 574207751 /nfs/dbraw/zinc/20/77/51/574207751.db2.gz WVNKTNFVEYOMSY-IUXPMGMMSA-N -1 3 290.750 2.860 20 30 CFEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1F ZINC000747707892 574207809 /nfs/dbraw/zinc/20/78/09/574207809.db2.gz ORRVMQATYDQLEJ-UHFFFAOYSA-N -1 3 274.295 2.786 20 30 CFEDHM CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739358710 574210154 /nfs/dbraw/zinc/21/01/54/574210154.db2.gz FTJQZKFHYAFAJK-OAHLLOKOSA-N -1 3 287.363 2.523 20 30 CFEDHM CCOc1ccc(/C=N/C[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000733205087 574210952 /nfs/dbraw/zinc/21/09/52/574210952.db2.gz JYEFLAUBIVMREQ-SMWBLXLWSA-N -1 3 291.269 2.787 20 30 CFEDHM C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C[C@@H](C)C1 ZINC000747754328 574210990 /nfs/dbraw/zinc/21/09/90/574210990.db2.gz VOTJVXAIYZVJPH-BETUJISGSA-N -1 3 294.420 2.918 20 30 CFEDHM Cc1ccc([N-]N=C2c3cc(C(C)C)ccc3NC2=O)nn1 ZINC000729936054 574239235 /nfs/dbraw/zinc/23/92/35/574239235.db2.gz DLYBAIFOGVNLKK-UHFFFAOYSA-N -1 3 295.346 2.677 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OCCCCC#N)[n-]n2)o1 ZINC000733866516 574258910 /nfs/dbraw/zinc/25/89/10/574258910.db2.gz ITNJEJMWKSZXPE-UHFFFAOYSA-N -1 3 273.292 2.829 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OCCCCC#N)n[n-]2)o1 ZINC000733866516 574258912 /nfs/dbraw/zinc/25/89/12/574258912.db2.gz ITNJEJMWKSZXPE-UHFFFAOYSA-N -1 3 273.292 2.829 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@](C)(O)c1ccccc1 ZINC000733904216 574261006 /nfs/dbraw/zinc/26/10/06/574261006.db2.gz XIJFGROHQCPVEJ-SZLZGVTBSA-N -1 3 285.343 2.727 20 30 CFEDHM CC(=NNCC(F)F)c1ccc(Br)cc1[O-] ZINC000756828816 574266061 /nfs/dbraw/zinc/26/60/61/574266061.db2.gz JOBWMPBAACQXCD-UHFFFAOYSA-N -1 3 293.111 2.733 20 30 CFEDHM CC(=NNc1ccncc1Cl)c1ccc([O-])c(F)c1 ZINC000756841872 574267508 /nfs/dbraw/zinc/26/75/08/574267508.db2.gz BBOLQRSGSJQAEF-UHFFFAOYSA-N -1 3 279.702 2.838 20 30 CFEDHM CCOc1ccc(/C=N/C[C@@H](O)c2ccc(C)o2)c([O-])c1 ZINC000741165634 574282437 /nfs/dbraw/zinc/28/24/37/574282437.db2.gz PISMBJPBBYDUFG-GFHWABCWSA-N -1 3 289.331 2.845 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cc(F)c(F)c(F)c2)c1[O-] ZINC000741164807 574282520 /nfs/dbraw/zinc/28/25/20/574282520.db2.gz AFOWPKFSWDZJLY-UHFFFAOYSA-N -1 3 296.248 2.756 20 30 CFEDHM C[S@@](=O)Cc1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000734366564 574283894 /nfs/dbraw/zinc/28/38/94/574283894.db2.gz XEMKUZXDZXJUIF-HXUWFJFHSA-N -1 3 289.356 2.727 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C2CCC(C)(C)CC2)c1[O-] ZINC000741466604 574291583 /nfs/dbraw/zinc/29/15/83/574291583.db2.gz XPEUWZMZCOFTFX-NVMNQCDNSA-N -1 3 276.380 2.976 20 30 CFEDHM CCOc1ccc(/C=N\C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000741465500 574291870 /nfs/dbraw/zinc/29/18/70/574291870.db2.gz VMHYNZVHKTWGFT-IUPCOXQMSA-N -1 3 289.331 2.711 20 30 CFEDHM [O-]c1ccc(-c2ccccc2)cc1C=Nn1cnnc1 ZINC000749444038 574295610 /nfs/dbraw/zinc/29/56/10/574295610.db2.gz QAKJIPQEFSZKQK-UHFFFAOYSA-N -1 3 264.288 2.533 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@](C)(O)c1cccs1 ZINC000739427164 574310193 /nfs/dbraw/zinc/31/01/93/574310193.db2.gz QSVSKNNUSDWYAX-AVIKPIRVSA-N -1 3 291.372 2.789 20 30 CFEDHM C=CC[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735409769 574322701 /nfs/dbraw/zinc/32/27/01/574322701.db2.gz KVJRAFYJBJZDFZ-SNVBAGLBSA-N -1 3 270.340 2.867 20 30 CFEDHM C=CC[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735409769 574322704 /nfs/dbraw/zinc/32/27/04/574322704.db2.gz KVJRAFYJBJZDFZ-SNVBAGLBSA-N -1 3 270.340 2.867 20 30 CFEDHM C=CCCCOc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000735413280 574322766 /nfs/dbraw/zinc/32/27/66/574322766.db2.gz RQKGXLNNPLOMFC-UHFFFAOYSA-N -1 3 294.742 2.874 20 30 CFEDHM C=CCCCOc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC000735413280 574322768 /nfs/dbraw/zinc/32/27/68/574322768.db2.gz RQKGXLNNPLOMFC-UHFFFAOYSA-N -1 3 294.742 2.874 20 30 CFEDHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc(C#N)cn1 ZINC000750186240 574329810 /nfs/dbraw/zinc/32/98/10/574329810.db2.gz BXQVQEZFXWVDPZ-UHFFFAOYSA-N -1 3 296.208 2.521 20 30 CFEDHM O=C1Nc2cc(F)ccc2C1=N[N-]c1c(F)cccc1F ZINC000735615967 574331480 /nfs/dbraw/zinc/33/14/80/574331480.db2.gz ZXPRYKQQJVLKQF-UHFFFAOYSA-N -1 3 291.232 2.872 20 30 CFEDHM CC(=NO[C@H]1CCCCO1)c1ccc([O-])cc1F ZINC000755820643 574348900 /nfs/dbraw/zinc/34/89/00/574348900.db2.gz XLFNTGZXTLRHJK-ZDUSSCGKSA-N -1 3 253.273 2.799 20 30 CFEDHM Cc1cccc(F)c1C/N=C/c1ccc(O)c([O-])c1O ZINC000743042615 574352151 /nfs/dbraw/zinc/35/21/51/574352151.db2.gz MGSPMJIYVQITDC-REZTVBANSA-N -1 3 275.279 2.870 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3c[nH]cn3)cc2)c1O ZINC000743334156 574358681 /nfs/dbraw/zinc/35/86/81/574358681.db2.gz PFTKWSTXVHATDB-UHFFFAOYSA-N -1 3 295.298 2.944 20 30 CFEDHM COc1ccc(NN=Cc2nc(C)ccc2[O-])cc1 ZINC000750920787 574362910 /nfs/dbraw/zinc/36/29/10/574362910.db2.gz BTWPXYGMHWEISU-UHFFFAOYSA-N -1 3 257.293 2.550 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNc1ccc(Cl)nc1 ZINC000743450339 574365087 /nfs/dbraw/zinc/36/50/87/574365087.db2.gz IWKHGACGZONLQS-UHFFFAOYSA-N -1 3 263.684 2.592 20 30 CFEDHM [O-]c1ccccc1/C=N/Cc1ccc2c(c1)CCO2 ZINC000750950045 574365221 /nfs/dbraw/zinc/36/52/21/574365221.db2.gz MTVONGPZVARSSR-GZTJUZNOSA-N -1 3 253.301 2.946 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2ccc3c(c2)nnn3C)ccc1[O-] ZINC000751032016 574368587 /nfs/dbraw/zinc/36/85/87/574368587.db2.gz MSJWPSKARFLWGS-QPJJXVBHSA-N -1 3 293.326 2.878 20 30 CFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=CC1CC1 ZINC000744011231 574375801 /nfs/dbraw/zinc/37/58/01/574375801.db2.gz XOVBEIBJIZDTED-JLVNDZCYSA-N -1 3 265.316 2.716 20 30 CFEDHM CCOC(=O)[C@H](CC1CC1)/N=C/c1ccccc1[O-] ZINC000751890575 574384424 /nfs/dbraw/zinc/38/44/24/574384424.db2.gz OTMMADZLCQQCMF-RKPNYOAGSA-N -1 3 261.321 2.543 20 30 CFEDHM N#Cc1ccc(C(=O)OCCCOC2CCCCC2)[n-]1 ZINC000752481725 574391817 /nfs/dbraw/zinc/39/18/17/574391817.db2.gz PEAROXHCOBBYLX-UHFFFAOYSA-N -1 3 276.336 2.783 20 30 CFEDHM CC(=Nn1cc(Br)cn1)c1ccc([O-])cc1F ZINC000752742280 574394364 /nfs/dbraw/zinc/39/43/64/574394364.db2.gz COCIYVJVDLLJPT-UHFFFAOYSA-N -1 3 298.115 2.763 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000752884076 574396126 /nfs/dbraw/zinc/39/61/26/574396126.db2.gz QKOJHRXWSAELHU-FZKGZDJFSA-N -1 3 281.315 2.952 20 30 CFEDHM Cc1ccc(NN=Cc2cccc(Cl)c2[O-])nn1 ZINC000753166069 574399690 /nfs/dbraw/zinc/39/96/90/574399690.db2.gz WHVPQKLKKLAPQG-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM C[C@@H]1CCCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820699177 607253269 /nfs/dbraw/zinc/25/32/69/607253269.db2.gz YEECSODNFCAQTJ-LLVKDONJSA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@@H]1CCCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820699177 607253270 /nfs/dbraw/zinc/25/32/70/607253270.db2.gz YEECSODNFCAQTJ-LLVKDONJSA-N -1 3 284.367 2.522 20 30 CFEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)n(C)n1 ZINC000900091913 620637159 /nfs/dbraw/zinc/63/71/59/620637159.db2.gz SMNVFVIEQZTXBD-UHFFFAOYSA-N -1 3 295.342 2.913 20 30 CFEDHM O=C(COCc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000900095821 620637615 /nfs/dbraw/zinc/63/76/15/620637615.db2.gz KTVHCTIEOXILDC-UHFFFAOYSA-N -1 3 289.306 2.760 20 30 CFEDHM C=CCSCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819759511 599502169 /nfs/dbraw/zinc/50/21/69/599502169.db2.gz YFBVLLIRUOWJGT-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM C=CCSCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819759511 599502170 /nfs/dbraw/zinc/50/21/70/599502170.db2.gz YFBVLLIRUOWJGT-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM N#CCSCCCSc1ccccc1-c1nnn[n-]1 ZINC000822815000 599690002 /nfs/dbraw/zinc/69/00/02/599690002.db2.gz MTAUODCTSZELRO-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM N#CCSCCCSc1ccccc1-c1nn[n-]n1 ZINC000822815000 599690003 /nfs/dbraw/zinc/69/00/03/599690003.db2.gz MTAUODCTSZELRO-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM N#Cc1cccc([C@@H](NCc2ccc(F)cc2)C(=O)[O-])c1 ZINC000833074907 601298012 /nfs/dbraw/zinc/29/80/12/601298012.db2.gz GIBDLJJABGSORC-OAHLLOKOSA-N -1 3 284.290 2.613 20 30 CFEDHM C[C@@H]1C[C@H](C)CN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591380 604602404 /nfs/dbraw/zinc/60/24/04/604602404.db2.gz LMKVMAMETDCMPP-TXEJJXNPSA-N -1 3 272.348 2.734 20 30 CFEDHM C=C1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833370250 604631827 /nfs/dbraw/zinc/63/18/27/604631827.db2.gz DIGFPCCZTYQRKI-CYBMUJFWSA-N -1 3 275.348 2.691 20 30 CFEDHM CCCCCCCC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000900457837 620679108 /nfs/dbraw/zinc/67/91/08/620679108.db2.gz XJEZGCBOKRYCIO-UONOGXRCSA-N -1 3 298.427 2.530 20 30 CFEDHM C#CCCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833362236 605357097 /nfs/dbraw/zinc/35/70/97/605357097.db2.gz HBRFDDOBSCGWMI-GFCCVEGCSA-N -1 3 269.703 2.608 20 30 CFEDHM CC1(C#N)CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000833551525 605728558 /nfs/dbraw/zinc/72/85/58/605728558.db2.gz NURCAXNQUFEARW-UHFFFAOYSA-N -1 3 258.321 2.510 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821476284 606470180 /nfs/dbraw/zinc/47/01/80/606470180.db2.gz LNRLYBOXKIXYIZ-SOFGYWHQSA-N -1 3 294.314 2.918 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821476284 606470181 /nfs/dbraw/zinc/47/01/81/606470181.db2.gz LNRLYBOXKIXYIZ-SOFGYWHQSA-N -1 3 294.314 2.918 20 30 CFEDHM C#CCNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819701753 606638456 /nfs/dbraw/zinc/63/84/56/606638456.db2.gz LZANAVPJOKYLFA-UHFFFAOYSA-N -1 3 291.314 2.704 20 30 CFEDHM C#CCNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819701753 606638457 /nfs/dbraw/zinc/63/84/57/606638457.db2.gz LZANAVPJOKYLFA-UHFFFAOYSA-N -1 3 291.314 2.704 20 30 CFEDHM C=CCCSCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819739719 607033977 /nfs/dbraw/zinc/03/39/77/607033977.db2.gz FDQVLGJSCBOPNW-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCCSCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819739719 607033979 /nfs/dbraw/zinc/03/39/79/607033979.db2.gz FDQVLGJSCBOPNW-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823894540 607779817 /nfs/dbraw/zinc/77/98/17/607779817.db2.gz SQXLKXHDDDNROG-AWEZNQCLSA-N -1 3 298.346 2.768 20 30 CFEDHM C=CCC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823894540 607779818 /nfs/dbraw/zinc/77/98/18/607779818.db2.gz SQXLKXHDDDNROG-AWEZNQCLSA-N -1 3 298.346 2.768 20 30 CFEDHM CC(C)(C#N)c1ccccc1Cn1ccc(-c2nnn[n-]2)c1 ZINC000824059515 607890629 /nfs/dbraw/zinc/89/06/29/607890629.db2.gz ZIFPPGCSOUHKLE-UHFFFAOYSA-N -1 3 292.346 2.518 20 30 CFEDHM CC(C)(C#N)c1ccccc1Cn1ccc(-c2nn[n-]n2)c1 ZINC000824059515 607890630 /nfs/dbraw/zinc/89/06/30/607890630.db2.gz ZIFPPGCSOUHKLE-UHFFFAOYSA-N -1 3 292.346 2.518 20 30 CFEDHM N#Cc1cccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000826387364 607902425 /nfs/dbraw/zinc/90/24/25/607902425.db2.gz RKTBPOQACMKKFO-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1cccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000826387364 607902426 /nfs/dbraw/zinc/90/24/26/607902426.db2.gz RKTBPOQACMKKFO-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000826281168 607915646 /nfs/dbraw/zinc/91/56/46/607915646.db2.gz HFWOOWWOGUNSMC-GQCTYLIASA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000826281168 607915647 /nfs/dbraw/zinc/91/56/47/607915647.db2.gz HFWOOWWOGUNSMC-GQCTYLIASA-N -1 3 298.277 2.803 20 30 CFEDHM N#CCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826381458 608207747 /nfs/dbraw/zinc/20/77/47/608207747.db2.gz MPYLIVVZHAOVBH-UHFFFAOYSA-N -1 3 279.756 2.916 20 30 CFEDHM N#CCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826381458 608207749 /nfs/dbraw/zinc/20/77/49/608207749.db2.gz MPYLIVVZHAOVBH-UHFFFAOYSA-N -1 3 279.756 2.916 20 30 CFEDHM C#CCCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000823840738 608261923 /nfs/dbraw/zinc/26/19/23/608261923.db2.gz CWVOFGQXLFNAEP-UHFFFAOYSA-N -1 3 299.403 2.564 20 30 CFEDHM C#CCCCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000823840738 608261925 /nfs/dbraw/zinc/26/19/25/608261925.db2.gz CWVOFGQXLFNAEP-UHFFFAOYSA-N -1 3 299.403 2.564 20 30 CFEDHM C=CCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894279 608275090 /nfs/dbraw/zinc/27/50/90/608275090.db2.gz MFYGBSIQOYAZFC-NLYDNYMLSA-N -1 3 298.346 2.778 20 30 CFEDHM C=CCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894279 608275091 /nfs/dbraw/zinc/27/50/91/608275091.db2.gz MFYGBSIQOYAZFC-NLYDNYMLSA-N -1 3 298.346 2.778 20 30 CFEDHM CCCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825268232 608535616 /nfs/dbraw/zinc/53/56/16/608535616.db2.gz SGYJCTSQPGDBIL-UHFFFAOYSA-N -1 3 279.735 2.503 20 30 CFEDHM CCCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825268232 608535617 /nfs/dbraw/zinc/53/56/17/608535617.db2.gz SGYJCTSQPGDBIL-UHFFFAOYSA-N -1 3 279.735 2.503 20 30 CFEDHM C[C@H]1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000824899302 609468814 /nfs/dbraw/zinc/46/88/14/609468814.db2.gz IWRGWIJXBGQZFR-RYUDHWBXSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000824899302 609468816 /nfs/dbraw/zinc/46/88/16/609468816.db2.gz IWRGWIJXBGQZFR-RYUDHWBXSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCCC[C@@H]1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824936635 609469027 /nfs/dbraw/zinc/46/90/27/609469027.db2.gz KRANHMUHHZTOEI-SWLSCSKDSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCCC[C@@H]1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824936635 609469028 /nfs/dbraw/zinc/46/90/28/609469028.db2.gz KRANHMUHHZTOEI-SWLSCSKDSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1C[C@H]1CN=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824898037 609470847 /nfs/dbraw/zinc/47/08/47/609470847.db2.gz CQCAMQXSQQLYQM-SFYZADRCSA-N -1 3 276.731 2.574 20 30 CFEDHM C[C@@H]1C[C@H]1CN=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824898037 609470849 /nfs/dbraw/zinc/47/08/49/609470849.db2.gz CQCAMQXSQQLYQM-SFYZADRCSA-N -1 3 276.731 2.574 20 30 CFEDHM C#C[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000848923162 618034536 /nfs/dbraw/zinc/03/45/36/618034536.db2.gz ADUKHVFKDKGIHQ-SNVBAGLBSA-N -1 3 251.276 2.516 20 30 CFEDHM C#C[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000890654124 617738950 /nfs/dbraw/zinc/73/89/50/617738950.db2.gz ZSMDYBGFTSZLLR-AWEZNQCLSA-N -1 3 289.350 2.868 20 30 CFEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])NC1CCCCC1 ZINC000119663319 617950402 /nfs/dbraw/zinc/95/04/02/617950402.db2.gz AORJVSNSERCYLS-RQZCQDPDSA-N -1 3 294.782 2.913 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2c(Cl)cnn2C)ccc1[O-] ZINC000780186753 617995415 /nfs/dbraw/zinc/99/54/15/617995415.db2.gz MDLHZVISARHNQO-GQCTYLIASA-N -1 3 276.723 2.984 20 30 CFEDHM CC[C@H](N[C@@H]1CCn2ccnc21)c1cccc(C#N)c1[O-] ZINC000926501158 618160168 /nfs/dbraw/zinc/16/01/68/618160168.db2.gz CHCTXGGUZIHYCJ-UONOGXRCSA-N -1 3 282.347 2.646 20 30 CFEDHM CC(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255289081 618164379 /nfs/dbraw/zinc/16/43/79/618164379.db2.gz CZHIMOADGICOIL-UHFFFAOYSA-N -1 3 286.287 2.512 20 30 CFEDHM Cc1cc([O-])c(C=NN[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000901334072 620787502 /nfs/dbraw/zinc/78/75/02/620787502.db2.gz GIEWMRALMIJBEU-CHWSQXEVSA-N -1 3 282.771 2.581 20 30 CFEDHM C[C@H](C#N)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000054179994 618274777 /nfs/dbraw/zinc/27/47/77/618274777.db2.gz IGGOUVRGEPHKPE-SSDOTTSWSA-N -1 3 259.136 2.948 20 30 CFEDHM O=C([C@@H]1CCC[C@H]2C[C@H]21)N([O-])Cc1ccc(F)cc1 ZINC000901372477 620792719 /nfs/dbraw/zinc/79/27/19/620792719.db2.gz DWFGBGBSDYDVGI-IACUBPJLSA-N -1 3 263.312 2.980 20 30 CFEDHM CC(=NN(C)C[C@H](C)O)c1ccc2ccccc2c1[O-] ZINC000841653283 618297404 /nfs/dbraw/zinc/29/74/04/618297404.db2.gz OKHYCNZLLJANGY-NSHDSACASA-N -1 3 272.348 2.582 20 30 CFEDHM Cc1c(C(=O)N([O-])Cc2cccc3ccccc32)cnn1C ZINC000901371081 620796606 /nfs/dbraw/zinc/79/66/06/620796606.db2.gz RAIHGZVRLUNSHD-UHFFFAOYSA-N -1 3 295.342 2.913 20 30 CFEDHM CC(C)OCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374529 620798806 /nfs/dbraw/zinc/79/88/06/620798806.db2.gz LYFDFFQWXRGOEB-UHFFFAOYSA-N -1 3 269.316 2.749 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NNCCC(F)(F)F ZINC000794547868 618413537 /nfs/dbraw/zinc/41/35/37/618413537.db2.gz NHFUEMDCCVPUBB-UHFFFAOYSA-N -1 3 266.650 2.922 20 30 CFEDHM CCn1ncc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)n1 ZINC000901452876 620817154 /nfs/dbraw/zinc/81/71/54/620817154.db2.gz OQLINTMEFCMJCW-NDVARNPJSA-N -1 3 287.294 2.526 20 30 CFEDHM CC(C)(C)OC(=O)CCNN=Cc1cc(Cl)ccc1[O-] ZINC000783869245 618730190 /nfs/dbraw/zinc/73/01/90/618730190.db2.gz ULTBVFPHEVEPEJ-UHFFFAOYSA-N -1 3 298.770 2.701 20 30 CFEDHM C[C@H](CC#N)N(C)Cc1cccc(Br)c1[O-] ZINC000093090843 618978121 /nfs/dbraw/zinc/97/81/21/618978121.db2.gz MZRGXBOKXHSZIS-SECBINFHSA-N -1 3 283.169 2.889 20 30 CFEDHM CO[C@@H]1COCC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000840706833 619859384 /nfs/dbraw/zinc/85/93/84/619859384.db2.gz LBENZEDBQQMDBR-CGQPYBHSSA-N -1 3 283.755 2.516 20 30 CFEDHM CO[C@H](C/N=C/c1cc(Cl)ccc1[O-])C1CC1 ZINC000840707697 619869492 /nfs/dbraw/zinc/86/94/92/619869492.db2.gz XTDOLLZGZVHWQF-BKNIFWKGSA-N -1 3 253.729 2.890 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2CCC=CCC2)c1[O-] ZINC000899227631 620532491 /nfs/dbraw/zinc/53/24/91/620532491.db2.gz OUUAJEZXKWQAMM-YVLHZVERSA-N -1 3 274.364 2.753 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832633949 625436381 /nfs/dbraw/zinc/43/63/81/625436381.db2.gz ITLJGOHKRBKRAM-UHFFFAOYSA-N -1 3 295.191 2.633 20 30 CFEDHM C=CCN(C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902094363 620977220 /nfs/dbraw/zinc/97/72/20/620977220.db2.gz FXCMKFOTEQMKIH-UHFFFAOYSA-N -1 3 284.153 2.765 20 30 CFEDHM C[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903405335 621361348 /nfs/dbraw/zinc/36/13/48/621361348.db2.gz QPJIKYQYTFBTPF-CQSZACIVSA-N -1 3 278.739 2.508 20 30 CFEDHM C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000903408151 621363453 /nfs/dbraw/zinc/36/34/53/621363453.db2.gz FCYRPSCEBXAPKB-HZMBPMFUSA-N -1 3 292.766 2.754 20 30 CFEDHM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)cc(C#N)c1 ZINC000903409123 621363673 /nfs/dbraw/zinc/36/36/73/621363673.db2.gz WCOSBYYVMGHMLO-ZWNOBZJWSA-N -1 3 292.766 2.897 20 30 CFEDHM C=CCCC[C@@H](C)NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000183394339 625483893 /nfs/dbraw/zinc/48/38/93/625483893.db2.gz CBDRAGNDCJTMNJ-PKVLTRFUSA-N -1 3 284.359 2.632 20 30 CFEDHM CCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCOCC1 ZINC000904173326 621541778 /nfs/dbraw/zinc/54/17/78/621541778.db2.gz JRRAFPVBINKVIY-UHFFFAOYSA-N -1 3 281.327 2.750 20 30 CFEDHM CC(C)n1nccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173910 621542266 /nfs/dbraw/zinc/54/22/66/621542266.db2.gz SSBLEJOKYQLYJF-UHFFFAOYSA-N -1 3 277.299 2.635 20 30 CFEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F ZINC000904175840 621542788 /nfs/dbraw/zinc/54/27/88/621542788.db2.gz XQFZARHYKQUJKH-ZETCQYMHSA-N -1 3 265.206 2.742 20 30 CFEDHM O=C(CCCc1ccccn1)N([O-])Cc1ccc(F)cc1 ZINC000904175020 621542796 /nfs/dbraw/zinc/54/27/96/621542796.db2.gz MWPMVXVOIILIIQ-UHFFFAOYSA-N -1 3 288.322 2.961 20 30 CFEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)C1CC1 ZINC000904177882 621543445 /nfs/dbraw/zinc/54/34/45/621543445.db2.gz RJQBEERDSDAAIB-UHFFFAOYSA-N -1 3 251.301 2.980 20 30 CFEDHM O=C(c1cncnc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000904177978 621543491 /nfs/dbraw/zinc/54/34/91/621543491.db2.gz VJADSZISVQASLN-UHFFFAOYSA-N -1 3 287.294 2.525 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccn(C2CCOCC2)n1 ZINC000904207305 621544124 /nfs/dbraw/zinc/54/41/24/621544124.db2.gz YNFBMJAKFSFUQS-UHFFFAOYSA-N -1 3 295.383 2.646 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000904207296 621544158 /nfs/dbraw/zinc/54/41/58/621544158.db2.gz YFZBMALMTDYRLS-AWEZNQCLSA-N -1 3 290.363 2.659 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H]1CCOC[C@H]1OCC ZINC000904207233 621544186 /nfs/dbraw/zinc/54/41/86/621544186.db2.gz WKWULVIVVLLZED-ZIAGYGMSSA-N -1 3 287.400 2.616 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000904206755 621544228 /nfs/dbraw/zinc/54/42/28/621544228.db2.gz GTNVDMCZDLNECY-UONOGXRCSA-N -1 3 269.385 2.847 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)n1cnc2ccccc21 ZINC000904208643 621544483 /nfs/dbraw/zinc/54/44/83/621544483.db2.gz DXBWZTYQYNAVRI-LLVKDONJSA-N -1 3 261.325 2.615 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)n1cnc2ccccc21 ZINC000904208644 621544513 /nfs/dbraw/zinc/54/45/13/621544513.db2.gz DXBWZTYQYNAVRI-NSHDSACASA-N -1 3 261.325 2.615 20 30 CFEDHM CCCCN([O-])C(=O)c1sc([C@@H](C)OC)nc1C ZINC000904210009 621545006 /nfs/dbraw/zinc/54/50/06/621545006.db2.gz DBTKPLAYDMHIDT-SECBINFHSA-N -1 3 272.370 2.790 20 30 CFEDHM O=C(CC1(O)CCCC1)N([O-])Cc1ccccc1Cl ZINC000904188679 621545534 /nfs/dbraw/zinc/54/55/34/621545534.db2.gz JKNLYXZDDAGFKJ-UHFFFAOYSA-N -1 3 283.755 2.753 20 30 CFEDHM O=C([C@@H]1CC12CCOCC2)N([O-])Cc1ccccc1Cl ZINC000904188928 621545952 /nfs/dbraw/zinc/54/59/52/621545952.db2.gz STEDKJMFGHPXRE-LBPRGKRZSA-N -1 3 295.766 2.875 20 30 CFEDHM COC(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904190782 621546456 /nfs/dbraw/zinc/54/64/56/621546456.db2.gz PKRGVXFCKHJEHE-UHFFFAOYSA-N -1 3 271.744 2.873 20 30 CFEDHM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N([O-])Cc1ccccc1Cl ZINC000904193817 621547309 /nfs/dbraw/zinc/54/73/09/621547309.db2.gz WCCAYTHFDFOJNJ-WZRBSPASSA-N -1 3 281.739 2.625 20 30 CFEDHM O=C(Cc1cscn1)N([O-])CCCCc1ccccc1 ZINC000904196558 621547612 /nfs/dbraw/zinc/54/76/12/621547612.db2.gz YCINISVRRQLTIB-UHFFFAOYSA-N -1 3 290.388 2.926 20 30 CFEDHM O=C(Cc1cccnc1)N([O-])CCCCc1ccccc1 ZINC000904196758 621547682 /nfs/dbraw/zinc/54/76/82/621547682.db2.gz FQXRZHUTBAPXNP-UHFFFAOYSA-N -1 3 284.359 2.865 20 30 CFEDHM O=C(c1ccon1)N([O-])CCCCc1ccccc1 ZINC000904200841 621549143 /nfs/dbraw/zinc/54/91/43/621549143.db2.gz GIDAJLLEBXSBTR-UHFFFAOYSA-N -1 3 260.293 2.529 20 30 CFEDHM CO[C@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904201466 621549148 /nfs/dbraw/zinc/54/91/48/621549148.db2.gz UQWZUBOJVXNBKF-CYBMUJFWSA-N -1 3 265.353 2.652 20 30 CFEDHM CC[C@H](OC)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201110 621549253 /nfs/dbraw/zinc/54/92/53/621549253.db2.gz JAQPJXYJRGGXTC-AWEZNQCLSA-N -1 3 265.353 2.652 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CSCCS1 ZINC000904204123 621550214 /nfs/dbraw/zinc/55/02/14/621550214.db2.gz FZIOGMAWUYRZEM-SNVBAGLBSA-N -1 3 263.428 2.633 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cc(-n2ccnc2)ccn1 ZINC000904204219 621550632 /nfs/dbraw/zinc/55/06/32/621550632.db2.gz HOXBWJCYPMFRGG-UHFFFAOYSA-N -1 3 288.351 2.679 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000904205080 621550696 /nfs/dbraw/zinc/55/06/96/621550696.db2.gz ZZRDTJRBMZEPMZ-LLVKDONJSA-N -1 3 296.333 2.669 20 30 CFEDHM CCCCN([O-])C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000904215002 621551075 /nfs/dbraw/zinc/55/10/75/621551075.db2.gz VXTLQWHVUCLTTM-UHFFFAOYSA-N -1 3 274.320 2.501 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000904215067 621551339 /nfs/dbraw/zinc/55/13/39/621551339.db2.gz ZAIRWQQTIYMBAR-NEPJUHHUSA-N -1 3 285.384 2.762 20 30 CFEDHM CCCCN([O-])C(=O)c1cnn(C(C)C)c1Cl ZINC000904216017 621551636 /nfs/dbraw/zinc/55/16/36/621551636.db2.gz UYKADYFCTOZMMW-UHFFFAOYSA-N -1 3 259.737 2.749 20 30 CFEDHM CCCCN([O-])C(=O)Cc1csc(C2CC2)n1 ZINC000904216201 621551796 /nfs/dbraw/zinc/55/17/96/621551796.db2.gz ZUSPLFAIZJXBKT-UHFFFAOYSA-N -1 3 254.355 2.581 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C#C[C@H](C)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857195108 635944352 /nfs/dbraw/zinc/94/43/52/635944352.db2.gz QVTIJAOVJHSGDJ-QMMMGPOBSA-N -1 3 271.238 2.505 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(C)c1Br ZINC000862132862 637278531 /nfs/dbraw/zinc/27/85/31/637278531.db2.gz NZIBWSWHQFVNAQ-SNVBAGLBSA-N -1 3 298.180 2.922 20 30 CFEDHM C#CCN(Cc1ccc(F)cc1)Cc1nc(CC)cc(=O)[n-]1 ZINC000118982398 637446646 /nfs/dbraw/zinc/44/66/46/637446646.db2.gz LTJCZAALNLRVOO-UHFFFAOYSA-N -1 3 299.349 2.519 20 30 CFEDHM CCCCNN=Cc1c([O-])cccc1Br ZINC000863080346 637551870 /nfs/dbraw/zinc/55/18/70/637551870.db2.gz YBSFOOQOXUPREN-UHFFFAOYSA-N -1 3 271.158 2.878 20 30 CFEDHM CCOCCON=Cc1c([O-])cccc1Br ZINC000863108291 637557999 /nfs/dbraw/zinc/55/79/99/637557999.db2.gz OOMSIAMIRXUDSI-UHFFFAOYSA-N -1 3 288.141 2.542 20 30 CFEDHM CC(=NNCC(C)(C)O)c1ccc2ccccc2c1[O-] ZINC000863140797 637570311 /nfs/dbraw/zinc/57/03/11/637570311.db2.gz ROXIKKOIOZTTPX-UHFFFAOYSA-N -1 3 272.348 2.630 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC[C@H]2CC=CCC2)c1[O-] ZINC000864345550 637945457 /nfs/dbraw/zinc/94/54/57/637945457.db2.gz AFIALALGRLHNSP-NWRYFCBHSA-N -1 3 274.364 2.753 20 30 CFEDHM CO[C@H]1C[C@@H](C/N=C/c2cc(Br)ccc2[O-])C1 ZINC000864346059 637947199 /nfs/dbraw/zinc/94/71/99/637947199.db2.gz MZOXLXNBBZTMMM-PUJBBNESSA-N -1 3 298.180 2.999 20 30 CFEDHM Cc1scc(C/N=C/c2c([O-])c(C)ncc2CO)c1C ZINC000864347273 637947723 /nfs/dbraw/zinc/94/77/23/637947723.db2.gz NPSGPHBISYGNFI-OMCISZLKSA-N -1 3 290.388 2.885 20 30 CFEDHM C=C(C)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC ZINC000864347404 637948000 /nfs/dbraw/zinc/94/80/00/637948000.db2.gz QAAYOXZSAPMQHI-GGNJANJASA-N -1 3 281.739 2.972 20 30 CFEDHM Cc1ncc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)s1 ZINC000864347409 637948077 /nfs/dbraw/zinc/94/80/77/637948077.db2.gz QAGRSNONDGNPBU-DLZSFMAOSA-N -1 3 291.376 2.533 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCCCC2CC2)c1[O-] ZINC000864349207 637949714 /nfs/dbraw/zinc/94/97/14/637949714.db2.gz URTHQHWJSDTVCS-CXUHLZMHSA-N -1 3 262.353 2.587 20 30 CFEDHM C=C(Cl)C[C@@H](NCc1cc(F)ccc1OC)C(=O)[O-] ZINC000864519470 638010297 /nfs/dbraw/zinc/01/02/97/638010297.db2.gz PONARCMUGQUNCL-LLVKDONJSA-N -1 3 287.718 2.520 20 30 CFEDHM C=C(Br)CNC(=O)c1ccc(CC)cc1[O-] ZINC000190436883 650433104 /nfs/dbraw/zinc/43/31/04/650433104.db2.gz VTTRVZSYXXKJLC-UHFFFAOYSA-N -1 3 284.153 2.593 20 30 CFEDHM C=CCO[N-]C(=O)CCc1ccccc1C(F)(F)F ZINC000868763799 638976460 /nfs/dbraw/zinc/97/64/60/638976460.db2.gz RRPYHJHPEPULPM-UHFFFAOYSA-N -1 3 273.254 2.872 20 30 CFEDHM O=C1OCC[C@H]1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000871596908 641362538 /nfs/dbraw/zinc/36/25/38/641362538.db2.gz HAVCNWJGQOVGSQ-VCBXAZPMSA-N -1 3 281.739 2.808 20 30 CFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)o2)cc1 ZINC000193495762 650662424 /nfs/dbraw/zinc/66/24/24/650662424.db2.gz AJJIIKKUTLXPNU-ZDUSSCGKSA-N -1 3 298.298 2.558 20 30 CFEDHM CC(=NO[C@H]1CCCCO1)c1cccc([O-])c1F ZINC000872360463 641768416 /nfs/dbraw/zinc/76/84/16/641768416.db2.gz MSYRMPFYGCFGAI-LBPRGKRZSA-N -1 3 253.273 2.799 20 30 CFEDHM CC(=NN1CCC1)c1ccc(Br)cc1[O-] ZINC000872397474 641792407 /nfs/dbraw/zinc/79/24/07/641792407.db2.gz ZBMWOUJHYLPROM-UHFFFAOYSA-N -1 3 269.142 2.584 20 30 CFEDHM C=C1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878087447 643728016 /nfs/dbraw/zinc/72/80/16/643728016.db2.gz NQCWCHOKFGEQIY-UHFFFAOYSA-N -1 3 271.320 2.594 20 30 CFEDHM C=CC(C)(C)CC(=O)[N-]OCCCC(F)(F)F ZINC000881430612 644973040 /nfs/dbraw/zinc/97/30/40/644973040.db2.gz JPPQOGUZFAHOHL-UHFFFAOYSA-N -1 3 253.264 2.979 20 30 CFEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1ccccn1 ZINC000136539686 646866642 /nfs/dbraw/zinc/86/66/42/646866642.db2.gz NIDQRYKGRNQEAC-IHVVCDCBSA-N -1 3 267.263 2.505 20 30 CFEDHM N#Cc1cccc(COC(=O)c2ccc([O-])cc2)c1 ZINC000005060861 647844204 /nfs/dbraw/zinc/84/42/04/647844204.db2.gz MZXXFHZREHZLOT-UHFFFAOYSA-N -1 3 253.257 2.621 20 30 CFEDHM C[C@H](NCc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1[O-] ZINC000927110974 648715106 /nfs/dbraw/zinc/71/51/06/648715106.db2.gz XLWJSCXFAPBZPG-NSHDSACASA-N -1 3 296.374 2.726 20 30 CFEDHM C=C[C@H](CC)CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000929762753 649115519 /nfs/dbraw/zinc/11/55/19/649115519.db2.gz NBWYLSGYQIFNPV-LLVKDONJSA-N -1 3 296.392 2.599 20 30 CFEDHM COc1cccc2nc(=O)[n-]c(OC3CCC(C#N)CC3)c21 ZINC001229240099 776763103 /nfs/dbraw/zinc/76/31/03/776763103.db2.gz TXPJTWUKMWYBAX-UHFFFAOYSA-N -1 3 299.330 2.805 20 30 CFEDHM COC(=O)c1ccc([O-])c(Nc2ccccc2C#N)c1 ZINC001210738630 770355184 /nfs/dbraw/zinc/35/51/84/770355184.db2.gz ASIGWCWSNWXGDI-UHFFFAOYSA-N -1 3 268.272 2.794 20 30 CFEDHM C=CCCC[C@H](C)NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000588384544 770463147 /nfs/dbraw/zinc/46/31/47/770463147.db2.gz CBDRAGNDCJTMNJ-CMHHUMAZSA-N -1 3 284.359 2.632 20 30 CFEDHM O=C(C/N=C\c1cc(Cl)ccc1[O-])NC1CCCCC1 ZINC000255362057 770621712 /nfs/dbraw/zinc/62/17/12/770621712.db2.gz AORJVSNSERCYLS-MFOYZWKCSA-N -1 3 294.782 2.913 20 30 CFEDHM N#Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(N)c1 ZINC001213351354 770642691 /nfs/dbraw/zinc/64/26/91/770642691.db2.gz LTRIOFBUIFNVNH-UHFFFAOYSA-N -1 3 291.314 2.775 20 30 CFEDHM COc1ncc(Nc2ccc(F)cc2C#N)cc1[O-] ZINC001216209974 770794627 /nfs/dbraw/zinc/79/46/27/770794627.db2.gz QYTUSZFYBBSTCI-UHFFFAOYSA-N -1 3 259.240 2.550 20 30 CFEDHM C#CCOc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000588507106 770887701 /nfs/dbraw/zinc/88/77/01/770887701.db2.gz ZGOWBJNJJMQSET-UHFFFAOYSA-N -1 3 283.283 2.566 20 30 CFEDHM COc1cnc(F)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001216409080 770907765 /nfs/dbraw/zinc/90/77/65/770907765.db2.gz BDGUTTLONNAZRY-UHFFFAOYSA-N -1 3 259.240 2.550 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)CC(C)(C)S)[n-]1 ZINC001225468798 775468766 /nfs/dbraw/zinc/46/87/66/775468766.db2.gz VFSPUBMLKAHBPF-VIFPVBQESA-N -1 3 266.366 2.833 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)COCc2ccccc2)[n-]1 ZINC001225469086 775468959 /nfs/dbraw/zinc/46/89/59/775468959.db2.gz GRGISYBBUBNOTC-CYBMUJFWSA-N -1 3 298.342 2.951 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)Cc2ccccc2)[n-]1 ZINC001225470390 775468977 /nfs/dbraw/zinc/46/89/77/775468977.db2.gz WMELXUKOAUCWEO-LBPRGKRZSA-N -1 3 268.316 2.977 20 30 CFEDHM C#C[C@@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C(C)C ZINC001225849789 775612497 /nfs/dbraw/zinc/61/24/97/775612497.db2.gz BJLWZUBEQXMJTN-SSDOTTSWSA-N -1 3 276.283 2.821 20 30 CFEDHM C#CC[C@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225853370 775613634 /nfs/dbraw/zinc/61/36/34/775613634.db2.gz PQDNZCAPWILRBO-LURJTMIESA-N -1 3 262.256 2.575 20 30 CFEDHM COC(=O)C[C@@H]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113850 775703416 /nfs/dbraw/zinc/70/34/16/775703416.db2.gz AQKIITLJZAYKLR-MVCPHERQSA-N -1 3 291.347 2.995 20 30 CFEDHM CCC[C@H](CC(=O)OC)Oc1cccc(/C=N/[O-])c1 ZINC001226114214 775703922 /nfs/dbraw/zinc/70/39/22/775703922.db2.gz HUQGOPKWFOCGKV-JXCQQFQQSA-N -1 3 265.309 2.605 20 30 CFEDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226116025 775705940 /nfs/dbraw/zinc/70/59/40/775705940.db2.gz MJFGZGNOPZZWGV-DRMGDSRLSA-N -1 3 291.347 2.995 20 30 CFEDHM CCOC(=O)[C@H]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226116027 775706063 /nfs/dbraw/zinc/70/60/63/775706063.db2.gz MJFGZGNOPZZWGV-TUNZVQQWSA-N -1 3 291.347 2.995 20 30 CFEDHM C#C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccncc1 ZINC001226119926 775707826 /nfs/dbraw/zinc/70/78/26/775707826.db2.gz PWDNXLVSYWTOBZ-ZDUSSCGKSA-N -1 3 283.356 2.791 20 30 CFEDHM Cc1cccc2c1[C@H](Oc1nccc(/C=N/[O-])n1)CC2 ZINC001226253187 775755374 /nfs/dbraw/zinc/75/53/74/775755374.db2.gz FTZHISMKDVYZLR-LFMVTYOGSA-N -1 3 269.304 2.659 20 30 CFEDHM Cc1cccc2c1CC[C@@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226253868 775755452 /nfs/dbraw/zinc/75/54/52/775755452.db2.gz NFAUOVHWJVONBT-VEJKBTLKSA-N -1 3 269.304 2.659 20 30 CFEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nnc2C)C1 ZINC001226460403 775832225 /nfs/dbraw/zinc/83/22/25/775832225.db2.gz CWEYLBSAELEHPL-NWDGAFQWSA-N -1 3 261.325 2.565 20 30 CFEDHM CCc1nc(O[C@@H](CC#N)c2ccccc2)cc(=O)[n-]1 ZINC001226475560 775840273 /nfs/dbraw/zinc/84/02/73/775840273.db2.gz MGBOUWLBFHQXCC-LBPRGKRZSA-N -1 3 269.304 2.778 20 30 CFEDHM C#CC[C@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599787 775887271 /nfs/dbraw/zinc/88/72/71/775887271.db2.gz NVMXRKUZPVBJBV-NSHDSACASA-N -1 3 258.273 2.679 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3cnncc32)C1 ZINC001226689075 775920689 /nfs/dbraw/zinc/92/06/89/775920689.db2.gz ZGMUVRBTPKGMLL-RISCZKNCSA-N -1 3 298.346 2.805 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001227347046 776181646 /nfs/dbraw/zinc/18/16/46/776181646.db2.gz ZKEMUGIBUUGQTR-CQSZACIVSA-N -1 3 296.282 2.718 20 30 CFEDHM C=C[C@H](C)Oc1cccc([O-])c1I ZINC001227376918 776187670 /nfs/dbraw/zinc/18/76/70/776187670.db2.gz ZGBNLEJSNVHPOL-ZETCQYMHSA-N -1 3 290.100 2.950 20 30 CFEDHM C#C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccncc1 ZINC001227584587 776235758 /nfs/dbraw/zinc/23/57/58/776235758.db2.gz UUIAUOSCHNBYLV-LLVKDONJSA-N -1 3 294.232 2.954 20 30 CFEDHM CCC#C[C@H](C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227587771 776236643 /nfs/dbraw/zinc/23/66/43/776236643.db2.gz XUFFDOFIHOFLDM-QMMMGPOBSA-N -1 3 259.227 2.987 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741684 776275834 /nfs/dbraw/zinc/27/58/34/776275834.db2.gz QQPRBCBRBGPVAB-PSASIEDQSA-N -1 3 272.264 2.542 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741684 776275844 /nfs/dbraw/zinc/27/58/44/776275844.db2.gz QQPRBCBRBGPVAB-PSASIEDQSA-N -1 3 272.264 2.542 20 30 CFEDHM C#C[C@H](CCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622779 776543883 /nfs/dbraw/zinc/54/38/83/776543883.db2.gz KZXONCBCMUDFLZ-LLVKDONJSA-N -1 3 272.300 2.988 20 30 CFEDHM CC#C[C@@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622773 776544068 /nfs/dbraw/zinc/54/40/68/776544068.db2.gz KVZIPONWTFCPQI-LLVKDONJSA-N -1 3 272.300 2.988 20 30 CFEDHM C#C[C@@H](Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001228676587 776564165 /nfs/dbraw/zinc/56/41/65/776564165.db2.gz JRFJXRDPCYMFQV-CYBMUJFWSA-N -1 3 273.292 2.816 20 30 CFEDHM C#C[C@@H](Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)C(C)C ZINC001228676587 776564167 /nfs/dbraw/zinc/56/41/67/776564167.db2.gz JRFJXRDPCYMFQV-CYBMUJFWSA-N -1 3 273.292 2.816 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688986 776569829 /nfs/dbraw/zinc/56/98/29/776569829.db2.gz NWEULKDCFSOXAI-NSHDSACASA-N -1 3 290.319 2.987 20 30 CFEDHM N#C[C@H](Oc1nnc(-c2ccncc2)[n-]1)c1ccccc1 ZINC001228697343 776573195 /nfs/dbraw/zinc/57/31/95/776573195.db2.gz JXKLSOZRXMXXAT-ZDUSSCGKSA-N -1 3 277.287 2.510 20 30 CFEDHM N#C[C@H](Oc1nc(-c2ccncc2)n[n-]1)c1ccccc1 ZINC001228697343 776573202 /nfs/dbraw/zinc/57/32/02/776573202.db2.gz JXKLSOZRXMXXAT-ZDUSSCGKSA-N -1 3 277.287 2.510 20 30 CFEDHM N#C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228697343 776573208 /nfs/dbraw/zinc/57/32/08/776573208.db2.gz JXKLSOZRXMXXAT-ZDUSSCGKSA-N -1 3 277.287 2.510 20 30 CFEDHM N#CC[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1 ZINC001228699197 776574645 /nfs/dbraw/zinc/57/46/45/776574645.db2.gz XAHHOFKNACSVGH-AWEZNQCLSA-N -1 3 291.314 2.900 20 30 CFEDHM N#CC[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1 ZINC001228699197 776574655 /nfs/dbraw/zinc/57/46/55/776574655.db2.gz XAHHOFKNACSVGH-AWEZNQCLSA-N -1 3 291.314 2.900 20 30 CFEDHM N#CC[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC001228699197 776574663 /nfs/dbraw/zinc/57/46/63/776574663.db2.gz XAHHOFKNACSVGH-AWEZNQCLSA-N -1 3 291.314 2.900 20 30 CFEDHM C#C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccncc1 ZINC001228856067 776636527 /nfs/dbraw/zinc/63/65/27/776636527.db2.gz VAYDLUJPTGCMGJ-INIZCTEOSA-N -1 3 279.295 2.669 20 30 CFEDHM N#CC1CC(Oc2cccc([O-])c2Br)C1 ZINC001229142906 776731644 /nfs/dbraw/zinc/73/16/44/776731644.db2.gz RZXVKGQCXQSSKL-UHFFFAOYSA-N -1 3 268.110 2.836 20 30 CFEDHM C[C@H](CS)Oc1cccc([O-])c1Br ZINC001229142466 776731721 /nfs/dbraw/zinc/73/17/21/776731721.db2.gz OSNTYBSMVACUFI-ZCFIWIBFSA-N -1 3 263.156 2.852 20 30 CFEDHM C=C[C@H](CCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337052 776784096 /nfs/dbraw/zinc/78/40/96/776784096.db2.gz CGGOFZVRHKULTG-LLVKDONJSA-N -1 3 274.324 2.609 20 30 CFEDHM C=C[C@H](CCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337052 776784102 /nfs/dbraw/zinc/78/41/02/776784102.db2.gz CGGOFZVRHKULTG-LLVKDONJSA-N -1 3 274.324 2.609 20 30 CFEDHM C#C[C@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229567689 776849180 /nfs/dbraw/zinc/84/91/80/776849180.db2.gz DZPSCBKHKFHZDI-SSDOTTSWSA-N -1 3 250.348 2.771 20 30 CFEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1C#N ZINC001229951104 776923362 /nfs/dbraw/zinc/92/33/62/776923362.db2.gz PWEMMHOSOILGDK-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1C#N ZINC001229951104 776923365 /nfs/dbraw/zinc/92/33/65/776923365.db2.gz PWEMMHOSOILGDK-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1C#N ZINC001229951110 776923607 /nfs/dbraw/zinc/92/36/07/776923607.db2.gz PWEMMHOSOILGDK-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1C#N ZINC001229951110 776923613 /nfs/dbraw/zinc/92/36/13/776923613.db2.gz PWEMMHOSOILGDK-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM N#CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231072839 777133029 /nfs/dbraw/zinc/13/30/29/777133029.db2.gz HIIDUPKLWCWGGX-HNNXBMFYSA-N -1 3 291.314 2.900 20 30 CFEDHM C#C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001231074820 777134457 /nfs/dbraw/zinc/13/44/57/777134457.db2.gz YFRKSAZVUTVTBW-HNNXBMFYSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231074820 777134460 /nfs/dbraw/zinc/13/44/60/777134460.db2.gz YFRKSAZVUTVTBW-HNNXBMFYSA-N -1 3 276.299 2.620 20 30 CFEDHM N#CC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231117703 777146625 /nfs/dbraw/zinc/14/66/25/777146625.db2.gz FGMYMXQAQNHAFY-OAHLLOKOSA-N -1 3 291.314 2.900 20 30 CFEDHM N#CC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231117703 777146628 /nfs/dbraw/zinc/14/66/28/777146628.db2.gz FGMYMXQAQNHAFY-OAHLLOKOSA-N -1 3 291.314 2.900 20 30 CFEDHM C=C[C@@H](CCCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231122191 777148577 /nfs/dbraw/zinc/14/85/77/777148577.db2.gz RBJHXWUEUPJFJW-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@@H](CCCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231122191 777148581 /nfs/dbraw/zinc/14/85/81/777148581.db2.gz RBJHXWUEUPJFJW-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1OC ZINC000711191263 777185355 /nfs/dbraw/zinc/18/53/55/777185355.db2.gz YZEXRIQUBACGIW-UHFFFAOYSA-N -1 3 283.393 2.920 20 30 CFEDHM N#CCC1CN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231521339 777249707 /nfs/dbraw/zinc/24/97/07/777249707.db2.gz DGTCQOFTZPYGAQ-UHFFFAOYSA-N -1 3 270.254 2.756 20 30 CFEDHM O=C1C=C2CN(Cc3cccc(Cl)c3[O-])CCC2S1 ZINC001231909364 777379012 /nfs/dbraw/zinc/37/90/12/777379012.db2.gz BENRXPZKHWTFKW-LBPRGKRZSA-N -1 3 295.791 2.820 20 30 CFEDHM COc1cc([O-])c(CN2CCC(C#N)CC2)cc1Cl ZINC001232266294 777499293 /nfs/dbraw/zinc/49/92/93/777499293.db2.gz UEZCILOHZGBBDQ-UHFFFAOYSA-N -1 3 280.755 2.790 20 30 CFEDHM C=CC[C@@H](Oc1[n-]c(=O)nnc1C)c1ccccc1 ZINC001226465170 777549279 /nfs/dbraw/zinc/54/92/79/777549279.db2.gz VHVHWEGBIMIEKV-GFCCVEGCSA-N -1 3 257.293 2.582 20 30 CFEDHM C=CCN(C)Cc1c([O-])cc(Br)cc1F ZINC001233031632 777770668 /nfs/dbraw/zinc/77/06/68/777770668.db2.gz JDHIHRXJSWLFHS-UHFFFAOYSA-N -1 3 274.133 2.912 20 30 CFEDHM N#Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001233383417 777926285 /nfs/dbraw/zinc/92/62/85/777926285.db2.gz HJKNPOJVLDXKIJ-GJZGRUSLSA-N -1 3 284.359 2.597 20 30 CFEDHM COc1ccc(CN2CCCC[C@@H]2C#N)c(Cl)c1[O-] ZINC001233400432 777938809 /nfs/dbraw/zinc/93/88/09/777938809.db2.gz IPXDIZISHPFFAW-LLVKDONJSA-N -1 3 280.755 2.932 20 30 CFEDHM CCOC(=O)[C@H](CC(C)C)Oc1cc([O-])cc(C#N)c1 ZINC001234138697 778173128 /nfs/dbraw/zinc/17/31/28/778173128.db2.gz DMTQPOYOUJFWTK-AWEZNQCLSA-N -1 3 277.320 2.620 20 30 CFEDHM CC(C)(C)C(=O)OC1CC(Oc2cc([O-])cc(C#N)c2)C1 ZINC001234144694 778174671 /nfs/dbraw/zinc/17/46/71/778174671.db2.gz SVBYBDZNFUWEAA-UHFFFAOYSA-N -1 3 289.331 2.763 20 30 CFEDHM COc1ccc([C@H](C)Oc2cc([O-])cc(C#N)c2)cn1 ZINC001234143561 778174762 /nfs/dbraw/zinc/17/47/62/778174762.db2.gz DJZZNNCSXZMCPR-JTQLQIEISA-N -1 3 270.288 2.807 20 30 CFEDHM C=C(C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142515644 778397357 /nfs/dbraw/zinc/39/73/57/778397357.db2.gz WDGAROUIRZBULO-UHFFFAOYSA-N -1 3 276.723 2.786 20 30 CFEDHM N#Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC001235895227 778595824 /nfs/dbraw/zinc/59/58/24/778595824.db2.gz FRXBRCLUZAZKBR-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC001235895227 778595826 /nfs/dbraw/zinc/59/58/26/778595826.db2.gz FRXBRCLUZAZKBR-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(C#N)c1 ZINC001235899667 778598484 /nfs/dbraw/zinc/59/84/84/778598484.db2.gz MOAZWMINENTTOY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(C#N)c1 ZINC001235899667 778598487 /nfs/dbraw/zinc/59/84/87/778598487.db2.gz MOAZWMINENTTOY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM N#CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436817937 778655033 /nfs/dbraw/zinc/65/50/33/778655033.db2.gz SWUCZVFIUFUGPK-UHFFFAOYSA-N -1 3 280.327 2.626 20 30 CFEDHM N#Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001236531981 778866683 /nfs/dbraw/zinc/86/66/83/778866683.db2.gz SJEIOLGZQFNMGW-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001236531981 778866687 /nfs/dbraw/zinc/86/66/87/778866687.db2.gz SJEIOLGZQFNMGW-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM Cc1ccc(-c2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC001236533025 778867122 /nfs/dbraw/zinc/86/71/22/778867122.db2.gz MWLROQDSFJGURV-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC001236533025 778867129 /nfs/dbraw/zinc/86/71/29/778867129.db2.gz MWLROQDSFJGURV-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CCCN(CCC#N)Cc1sc(=O)[n-]c1Cl ZINC001237150621 779026254 /nfs/dbraw/zinc/02/62/54/779026254.db2.gz INLNBJCVMZEWPD-UHFFFAOYSA-N -1 3 259.762 2.628 20 30 CFEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1sc(=O)[n-]c1Cl ZINC001237163312 779033416 /nfs/dbraw/zinc/03/34/16/779033416.db2.gz AQHAAAVQYOIPEN-PSVAKVPMSA-N -1 3 283.784 2.769 20 30 CFEDHM Cc1ncc(Nc2ccc(C3(C#N)CC3)cc2)c(=O)[n-]1 ZINC001212251687 779526885 /nfs/dbraw/zinc/52/68/85/779526885.db2.gz PQCMMAGXKGCEBP-UHFFFAOYSA-N -1 3 266.304 2.789 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001240155034 779976773 /nfs/dbraw/zinc/97/67/73/779976773.db2.gz PUBVBEYTBDJLDH-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001240155034 779976783 /nfs/dbraw/zinc/97/67/83/779976783.db2.gz PUBVBEYTBDJLDH-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM C#CCC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000922049250 780385648 /nfs/dbraw/zinc/38/56/48/780385648.db2.gz VWRSWGINPSMOOD-UHFFFAOYSA-N -1 3 289.809 2.626 20 30 CFEDHM Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1CC#N ZINC001241445682 780897725 /nfs/dbraw/zinc/89/77/25/780897725.db2.gz UGZBGUXSVXFSBU-UHFFFAOYSA-N -1 3 275.315 2.908 20 30 CFEDHM Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)ccc1CC#N ZINC001241445682 780897734 /nfs/dbraw/zinc/89/77/34/780897734.db2.gz UGZBGUXSVXFSBU-UHFFFAOYSA-N -1 3 275.315 2.908 20 30 CFEDHM N#Cc1c(F)ccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241446295 780899269 /nfs/dbraw/zinc/89/92/69/780899269.db2.gz VDNPCZFVAFXFMD-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1c(F)ccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241446295 780899276 /nfs/dbraw/zinc/89/92/76/780899276.db2.gz VDNPCZFVAFXFMD-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM C#Cc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241919133 781181765 /nfs/dbraw/zinc/18/17/65/781181765.db2.gz BGESNRVBDUUQJE-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241919133 781181763 /nfs/dbraw/zinc/18/17/63/781181763.db2.gz BGESNRVBDUUQJE-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001242296305 781377126 /nfs/dbraw/zinc/37/71/26/781377126.db2.gz BJOAEFJHJMEWLV-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM C#Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001242296305 781377133 /nfs/dbraw/zinc/37/71/33/781377133.db2.gz BJOAEFJHJMEWLV-UHFFFAOYSA-N -1 3 260.300 2.823 20 30 CFEDHM CC1(C)CC(=O)C=C(c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001242318021 781395970 /nfs/dbraw/zinc/39/59/70/781395970.db2.gz LNINZSPQLLCCMO-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM CC1(C)CC(=O)C=C(c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001242318021 781395979 /nfs/dbraw/zinc/39/59/79/781395979.db2.gz LNINZSPQLLCCMO-UHFFFAOYSA-N -1 3 286.310 2.778 20 30 CFEDHM N#Cc1cc(-c2ccc(Cn3cncn3)cc2)ccc1[O-] ZINC001242563651 781602410 /nfs/dbraw/zinc/60/24/10/781602410.db2.gz HSCPYQRQXNNGEG-UHFFFAOYSA-N -1 3 276.299 2.571 20 30 CFEDHM N#Cc1cc(-c2ccc3c(c2)C2(CC2)C(=O)N3)ccc1[O-] ZINC001242565099 781603629 /nfs/dbraw/zinc/60/36/29/781603629.db2.gz LMOXKZCSZGOAOR-UHFFFAOYSA-N -1 3 276.295 2.915 20 30 CFEDHM Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c(C#N)c1 ZINC001242593698 781626039 /nfs/dbraw/zinc/62/60/39/781626039.db2.gz XYUIIMKHQPNSCW-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c(C#N)c1 ZINC001242593698 781626041 /nfs/dbraw/zinc/62/60/41/781626041.db2.gz XYUIIMKHQPNSCW-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000594814633 349488376 /nfs/dbraw/zinc/48/83/76/349488376.db2.gz WTEJOIMOPIRKEB-VIFPVBQESA-N -1 3 286.422 2.723 20 30 CFEDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000595360763 349610555 /nfs/dbraw/zinc/61/05/55/349610555.db2.gz FKHNLBMAMGIIHN-CYBMUJFWSA-N -1 3 298.795 2.679 20 30 CFEDHM CC1(C)CC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000595388644 349614344 /nfs/dbraw/zinc/61/43/44/349614344.db2.gz INULOGKSUAUJRS-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM CC[C@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000420702663 529668590 /nfs/dbraw/zinc/66/85/90/529668590.db2.gz GLGXYYIYWQJISF-VIFPVBQESA-N -1 3 286.784 2.536 20 30 CFEDHM CC[C@H](OC1CCCC1)C(=O)[N-]c1nncn1C1CC1 ZINC000329105291 529716937 /nfs/dbraw/zinc/71/69/37/529716937.db2.gz GZIBIHPTOJPHHS-LBPRGKRZSA-N -1 3 278.356 2.939 20 30 CFEDHM N#Cc1[n-]c(=NCCC[C@H]2CCCC[C@@H]2O)sc1Cl ZINC000596168245 349815386 /nfs/dbraw/zinc/81/53/86/349815386.db2.gz RYGCKUPINLNOBC-KOLCDFICSA-N -1 3 299.827 2.833 20 30 CFEDHM COCCC(C)(C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596191964 349823256 /nfs/dbraw/zinc/82/32/56/349823256.db2.gz IVXGCQISMWTHSK-UHFFFAOYSA-N -1 3 273.789 2.565 20 30 CFEDHM CC(F)(F)CCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596256099 349842817 /nfs/dbraw/zinc/84/28/17/349842817.db2.gz ZEDZMCRVHNTJMR-UHFFFAOYSA-N -1 3 265.716 2.937 20 30 CFEDHM N#Cc1[n-]c(=NC[C@H]2CCCSC2)sc1Cl ZINC000596236445 349835672 /nfs/dbraw/zinc/83/56/72/349835672.db2.gz VYNNIWJNZXYJLF-SSDOTTSWSA-N -1 3 273.814 2.645 20 30 CFEDHM Cc1nsc([N-]C(=O)c2c(F)cccc2F)c1C#N ZINC000334618596 282439949 /nfs/dbraw/zinc/43/99/49/282439949.db2.gz SHYLJXTYSRLSLX-UHFFFAOYSA-N -1 3 279.271 2.854 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000005110697 346210537 /nfs/dbraw/zinc/21/05/37/346210537.db2.gz WBQLJQFQLBCBQB-GHDOEPQNSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000031854753 346297738 /nfs/dbraw/zinc/29/77/38/346297738.db2.gz JMYOQWBMAZKQMG-WLCZZOPNSA-N -1 3 262.353 2.586 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)nc(C)n1 ZINC000049408085 346483407 /nfs/dbraw/zinc/48/34/07/346483407.db2.gz BJVCWXDEIOUYNY-ZDUSSCGKSA-N -1 3 297.362 2.535 20 30 CFEDHM CCc1nc(C)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000051898266 346507501 /nfs/dbraw/zinc/50/75/01/346507501.db2.gz JMQBSBNITCPHTD-SNVBAGLBSA-N -1 3 271.345 2.899 20 30 CFEDHM N#CC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCC1 ZINC000077004243 347164476 /nfs/dbraw/zinc/16/44/76/347164476.db2.gz BLGTXLFZZHJQKS-UHFFFAOYSA-N -1 3 285.282 2.893 20 30 CFEDHM CC(C)=CCS[C@@H](Cc1ccccc1)C(=O)N[O-] ZINC000671994772 539569257 /nfs/dbraw/zinc/56/92/57/539569257.db2.gz DCSLYQPUGYZWFQ-ZDUSSCGKSA-N -1 3 265.378 2.803 20 30 CFEDHM CC(C)=CCS[C@H](Cc1ccccc1)C(=O)N[O-] ZINC000671994770 539569231 /nfs/dbraw/zinc/56/92/31/539569231.db2.gz DCSLYQPUGYZWFQ-CYBMUJFWSA-N -1 3 265.378 2.803 20 30 CFEDHM Cc1cc(OCC(=O)N[O-])c(C(C)C)cc1Cl ZINC000671997408 539582093 /nfs/dbraw/zinc/58/20/93/539582093.db2.gz CYQQHGAMHPAQFP-UHFFFAOYSA-N -1 3 257.717 2.656 20 30 CFEDHM N#Cc1cccc(C(=O)[N-]c2c(F)cc(F)cc2F)n1 ZINC000589779568 348856368 /nfs/dbraw/zinc/85/63/68/348856368.db2.gz ATEIVXSNRPMVIQ-UHFFFAOYSA-N -1 3 277.205 2.623 20 30 CFEDHM C[C@@H]1CCN(C(=O)CC2(C#N)CC2)c2c([O-])cccc21 ZINC000590329288 348894666 /nfs/dbraw/zinc/89/46/66/348894666.db2.gz DLKNPWOWQPVSJE-LLVKDONJSA-N -1 3 270.332 2.926 20 30 CFEDHM N#CC1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000590486278 348904383 /nfs/dbraw/zinc/90/43/83/348904383.db2.gz WWEZLALJGXWWGW-UHFFFAOYSA-N -1 3 294.310 2.780 20 30 CFEDHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329477625 539701557 /nfs/dbraw/zinc/70/15/57/539701557.db2.gz PWTHIAYKGMQNQX-SDDRHHMPSA-N -1 3 293.367 2.694 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000591339155 349010319 /nfs/dbraw/zinc/01/03/19/349010319.db2.gz RNZORARARLIZEU-ZDUSSCGKSA-N -1 3 264.350 2.608 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@@H]1C ZINC000593524380 349290246 /nfs/dbraw/zinc/29/02/46/349290246.db2.gz GXBQAQPXRHSXID-GMTAPVOTSA-N -1 3 298.433 2.723 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593542831 349292242 /nfs/dbraw/zinc/29/22/42/349292242.db2.gz AKGBJACENPIAJA-MXWKQRLJSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593556133 349293090 /nfs/dbraw/zinc/29/30/90/349293090.db2.gz KMQCEUJHOGJQNZ-ZJUUUORDSA-N -1 3 286.422 2.723 20 30 CFEDHM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593603015 349297330 /nfs/dbraw/zinc/29/73/30/349297330.db2.gz SRPBLDQZVYELMU-MNOVXSKESA-N -1 3 298.433 2.724 20 30 CFEDHM CCC(C#N)=C([O-])N=c1cc(-c2cc(C)c(C)cc2C)[nH][nH]1 ZINC000593893456 349333126 /nfs/dbraw/zinc/33/31/26/349333126.db2.gz ILLZYRXXYDNBOH-ZDUSSCGKSA-N -1 3 296.374 2.912 20 30 CFEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)o1 ZINC000593942956 349337029 /nfs/dbraw/zinc/33/70/29/349337029.db2.gz ZTJWNJUDFDNHCL-UHFFFAOYSA-N -1 3 288.328 2.962 20 30 CFEDHM Cc1cc(C(=O)NCC2(C#N)CCCC2)ccc1[O-] ZINC000593773296 349322927 /nfs/dbraw/zinc/32/29/27/349322927.db2.gz GVCUTLSYWKGNAD-UHFFFAOYSA-N -1 3 258.321 2.514 20 30 CFEDHM Cc1ccc(C(=O)NCC2(C#N)CCCC2)c([O-])c1C ZINC000593774920 349323613 /nfs/dbraw/zinc/32/36/13/349323613.db2.gz IDOUTPYLCCTOES-UHFFFAOYSA-N -1 3 272.348 2.823 20 30 CFEDHM Cc1ccccc1-c1cc(=NC(=O)CCCCC#N)[nH][n-]1 ZINC000594336710 349408296 /nfs/dbraw/zinc/40/82/96/349408296.db2.gz WFHLUVATTVEBHA-UHFFFAOYSA-N -1 3 282.347 2.830 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N(CCC#N)C(C)C)c1 ZINC000597042891 350020158 /nfs/dbraw/zinc/02/01/58/350020158.db2.gz YGJBETHVANXECZ-UHFFFAOYSA-N -1 3 278.377 2.878 20 30 CFEDHM N#CC1(CC(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000597857590 350144056 /nfs/dbraw/zinc/14/40/56/350144056.db2.gz NXLAMPVPEIDREC-UHFFFAOYSA-N -1 3 250.685 2.678 20 30 CFEDHM CCc1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1[O-] ZINC000597903029 350152838 /nfs/dbraw/zinc/15/28/38/350152838.db2.gz DGTMHVBIRYJKEW-LBPRGKRZSA-N -1 3 272.348 2.720 20 30 CFEDHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)[C@@H](C)C#N ZINC000598358168 350247080 /nfs/dbraw/zinc/24/70/80/350247080.db2.gz MJDYIAUHTSRZLE-NSHDSACASA-N -1 3 272.348 2.645 20 30 CFEDHM CC(C)(C#N)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598693395 350311586 /nfs/dbraw/zinc/31/15/86/350311586.db2.gz CKLLROZMUQTOAG-UHFFFAOYSA-N -1 3 286.253 2.691 20 30 CFEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598901639 350345969 /nfs/dbraw/zinc/34/59/69/350345969.db2.gz BDYQSTKKHFOADO-CYBMUJFWSA-N -1 3 298.264 2.833 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N(CCC#N)Cc1ccco1 ZINC000599235161 350398790 /nfs/dbraw/zinc/39/87/90/350398790.db2.gz JXEGPDMQZGMNNH-UHFFFAOYSA-N -1 3 284.315 2.850 20 30 CFEDHM CC[C@H](CO)Nc1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC000600779948 350609855 /nfs/dbraw/zinc/60/98/55/350609855.db2.gz KJZJMNHSTKXATJ-CQSZACIVSA-N -1 3 283.331 2.509 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)C1 ZINC000601353727 350725809 /nfs/dbraw/zinc/72/58/09/350725809.db2.gz RLPCUNRMVMKLED-UHFFFAOYSA-N -1 3 299.330 2.644 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)C1 ZINC000601353727 350725812 /nfs/dbraw/zinc/72/58/12/350725812.db2.gz RLPCUNRMVMKLED-UHFFFAOYSA-N -1 3 299.330 2.644 20 30 CFEDHM CCc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1[O-] ZINC000601823079 350786235 /nfs/dbraw/zinc/78/62/35/350786235.db2.gz VCTYOBIWSSJDAM-TZMCWYRMSA-N -1 3 272.348 2.719 20 30 CFEDHM CCc1c(-c2cccc(C)c2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601934682 350808102 /nfs/dbraw/zinc/80/81/02/350808102.db2.gz COQOJQVWLOKCHO-JSGCOSHPSA-N -1 3 269.348 2.870 20 30 CFEDHM Cc1nocc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000602225756 350854382 /nfs/dbraw/zinc/85/43/82/350854382.db2.gz GMOUDRJJSKHOHB-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM N#Cc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000122456552 187033557 /nfs/dbraw/zinc/03/35/57/187033557.db2.gz PQJVBOOTYJWGNU-UHFFFAOYSA-N -1 3 273.214 2.564 20 30 CFEDHM N#Cc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000122456552 187033558 /nfs/dbraw/zinc/03/35/58/187033558.db2.gz PQJVBOOTYJWGNU-UHFFFAOYSA-N -1 3 273.214 2.564 20 30 CFEDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000123040389 187067192 /nfs/dbraw/zinc/06/71/92/187067192.db2.gz PDBXASICBXRZRD-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM CCc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)c([O-])c1 ZINC000615790107 352242731 /nfs/dbraw/zinc/24/27/31/352242731.db2.gz YHUYHADEIOPYGV-INIZCTEOSA-N -1 3 272.348 2.720 20 30 CFEDHM C=CCN(C(=O)c1cc(CC)ccc1[O-])[C@@H](C)COC ZINC000617581748 352596840 /nfs/dbraw/zinc/59/68/40/352596840.db2.gz YNFZEFVJWTVEIL-LBPRGKRZSA-N -1 3 277.364 2.618 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000617787061 352647015 /nfs/dbraw/zinc/64/70/15/352647015.db2.gz GQKDGPFTQZSFTG-LBPRGKRZSA-N -1 3 275.348 2.829 20 30 CFEDHM C=CCC1(NC(=O)c2ccc(CC)cc2[O-])CCOCC1 ZINC000618249428 352738709 /nfs/dbraw/zinc/73/87/09/352738709.db2.gz STSUDFHBMIQMKI-UHFFFAOYSA-N -1 3 289.375 2.810 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000619166424 352970896 /nfs/dbraw/zinc/97/08/96/352970896.db2.gz MLATZDVTYXLPQM-RYUDHWBXSA-N -1 3 282.347 2.774 20 30 CFEDHM C#CC[C@H](NCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000271662501 191265364 /nfs/dbraw/zinc/26/53/64/191265364.db2.gz DRUVHJNFOGWLJL-HNNXBMFYSA-N -1 3 281.359 2.599 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000620303546 353148604 /nfs/dbraw/zinc/14/86/04/353148604.db2.gz UBTRZCRYWYAXMR-OKILXGFUSA-N -1 3 285.343 2.918 20 30 CFEDHM C=CCCC(C)(C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000620864740 353243263 /nfs/dbraw/zinc/24/32/63/353243263.db2.gz NHIPXFRREQJKEO-UHFFFAOYSA-N -1 3 265.328 2.935 20 30 CFEDHM C#Cc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156322038 188255636 /nfs/dbraw/zinc/25/56/36/188255636.db2.gz GRVGHDOHDCOZEH-UHFFFAOYSA-N -1 3 272.226 2.673 20 30 CFEDHM C#Cc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156322038 188255638 /nfs/dbraw/zinc/25/56/38/188255638.db2.gz GRVGHDOHDCOZEH-UHFFFAOYSA-N -1 3 272.226 2.673 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000628490192 354606197 /nfs/dbraw/zinc/60/61/97/354606197.db2.gz RMJNHADKYHQKDK-GFCCVEGCSA-N -1 3 259.349 2.993 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000628491348 354607415 /nfs/dbraw/zinc/60/74/15/354607415.db2.gz WSXVJWYIFMLCHM-CYBMUJFWSA-N -1 3 259.349 2.993 20 30 CFEDHM C=CCn1c(S[C@H]2CCCC[C@@H]2C)n[n-]c1=O ZINC000629162727 354762681 /nfs/dbraw/zinc/76/26/81/354762681.db2.gz ZVAHNPNACVNZLG-UWVGGRQHSA-N -1 3 253.371 2.841 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1csc(C)c1C ZINC000630458809 355088392 /nfs/dbraw/zinc/08/83/92/355088392.db2.gz GANJSVWJXSKWQB-LBPRGKRZSA-N -1 3 253.367 2.874 20 30 CFEDHM CCOc1ccc(C#N)cc1NC([O-])=NOC1CCCC1 ZINC000271834135 191356081 /nfs/dbraw/zinc/35/60/81/191356081.db2.gz SQOBGKQVNTXGHF-UHFFFAOYSA-N -1 3 289.335 2.953 20 30 CFEDHM CCOc1ccc(C#N)cc1NC(=O)[N-]OC1CCCC1 ZINC000271834135 191356083 /nfs/dbraw/zinc/35/60/83/191356083.db2.gz SQOBGKQVNTXGHF-UHFFFAOYSA-N -1 3 289.335 2.953 20 30 CFEDHM C=C1CC(C)(C(=O)NCc2ccc([O-])c3ncccc23)C1 ZINC000633355621 355874862 /nfs/dbraw/zinc/87/48/62/355874862.db2.gz XKUYVBWDGGCDLW-UHFFFAOYSA-N -1 3 282.343 2.913 20 30 CFEDHM N#CC(=C([O-])c1coc(Br)c1)c1ccccn1 ZINC000073970127 541221932 /nfs/dbraw/zinc/22/19/32/541221932.db2.gz ISNICMRIYVWNOQ-SECBINFHSA-N -1 3 291.104 2.927 20 30 CFEDHM COc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073973441 541222199 /nfs/dbraw/zinc/22/21/99/541222199.db2.gz XUDMJWFFXDEPJJ-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM COc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073973441 541222202 /nfs/dbraw/zinc/22/22/02/541222202.db2.gz XUDMJWFFXDEPJJ-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073973441 541222206 /nfs/dbraw/zinc/22/22/06/541222206.db2.gz XUDMJWFFXDEPJJ-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426785381 239265753 /nfs/dbraw/zinc/26/57/53/239265753.db2.gz PLSWSVWPQXHJGJ-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM Cc1nc(-c2ccccc2Cl)sc1C(=O)N[O-] ZINC000671996200 541410151 /nfs/dbraw/zinc/41/01/51/541410151.db2.gz QUEIADQSCNAYDO-UHFFFAOYSA-N -1 3 268.725 2.891 20 30 CFEDHM COc1cccc(C(=O)Nc2cccc(C#N)c2)c1[O-] ZINC000019509048 372170185 /nfs/dbraw/zinc/17/01/85/372170185.db2.gz JFCDZWBCAXKJDM-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041493630 372843551 /nfs/dbraw/zinc/84/35/51/372843551.db2.gz CHUZWCDWGGFLDW-AWEZNQCLSA-N -1 3 279.299 2.530 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)n1 ZINC000041520128 372846319 /nfs/dbraw/zinc/84/63/19/372846319.db2.gz WHBFIMCSFQPWMQ-JTQLQIEISA-N -1 3 286.312 2.670 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCSC(C)(C)C)c1[O-] ZINC000263846088 383688737 /nfs/dbraw/zinc/68/87/37/383688737.db2.gz NHPYVQMJVZWXMO-OVCLIPMQSA-N -1 3 282.409 2.539 20 30 CFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000050336849 373370272 /nfs/dbraw/zinc/37/02/72/373370272.db2.gz KXJBWWDVCPMISX-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000054138316 373499684 /nfs/dbraw/zinc/49/96/84/373499684.db2.gz ZVEMXTLARBPMCD-UHFFFAOYSA-N -1 3 293.175 2.575 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(C)on2)s1 ZINC000079262814 374601382 /nfs/dbraw/zinc/60/13/82/374601382.db2.gz PITQAVZIUDZKIQ-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000122685296 376936623 /nfs/dbraw/zinc/93/66/23/376936623.db2.gz QCHVBMITMKRTSV-UHFFFAOYSA-N -1 3 280.176 2.848 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000123059565 376944591 /nfs/dbraw/zinc/94/45/91/376944591.db2.gz ZDWQGBWGWQCYRN-UHFFFAOYSA-N -1 3 263.721 2.797 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000127694734 377297771 /nfs/dbraw/zinc/29/77/71/377297771.db2.gz WPYIAQLEONLHBG-VFBOHGMLSA-N -1 3 277.389 2.866 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1O ZINC000128459054 377339143 /nfs/dbraw/zinc/33/91/43/377339143.db2.gz BBLDQLXKFSJAAX-HWZVHHJOSA-N -1 3 295.338 2.808 20 30 CFEDHM CCC1(CC)[C@H](/N=C/c2ccc(O)c([O-])c2O)C[C@H]1OC ZINC000130120751 377512348 /nfs/dbraw/zinc/51/23/48/377512348.db2.gz ITXHDDAQYFYOKS-SSTXIFODSA-N -1 3 293.363 2.816 20 30 CFEDHM Cc1ccc(CC(=O)[N-]OCCCC(C)(C)C#N)cc1 ZINC000135496125 378139960 /nfs/dbraw/zinc/13/99/60/378139960.db2.gz BJGUJDOOWYDECN-UHFFFAOYSA-N -1 3 274.364 2.915 20 30 CFEDHM CCN(C[C@H](C)C#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000136207350 378188160 /nfs/dbraw/zinc/18/81/60/378188160.db2.gz KYEZREPPLDUSAG-SNVBAGLBSA-N -1 3 280.755 2.596 20 30 CFEDHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329912306 378513282 /nfs/dbraw/zinc/51/32/82/378513282.db2.gz OGKGCAJYHMVZNA-RKDXNWHRSA-N -1 3 254.355 2.980 20 30 CFEDHM CC(C)(C)CCNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000330378659 378540560 /nfs/dbraw/zinc/54/05/60/378540560.db2.gz KCYKWKVCPBOQAT-UHFFFAOYSA-N -1 3 264.304 2.838 20 30 CFEDHM CC(C)(C)CCNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000330378659 378540563 /nfs/dbraw/zinc/54/05/63/378540563.db2.gz KCYKWKVCPBOQAT-UHFFFAOYSA-N -1 3 264.304 2.838 20 30 CFEDHM CC(C)(C)CCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000330378659 378540566 /nfs/dbraw/zinc/54/05/66/378540566.db2.gz KCYKWKVCPBOQAT-UHFFFAOYSA-N -1 3 264.304 2.838 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000432261852 383733887 /nfs/dbraw/zinc/73/38/87/383733887.db2.gz HYBUOBFNLCKXEQ-UHFFFAOYSA-N -1 3 289.347 2.845 20 30 CFEDHM CC(C)n1cc(/C=C2\Cc3c(cccc3[O-])C2=O)cn1 ZINC000171981811 379460069 /nfs/dbraw/zinc/46/00/69/379460069.db2.gz DJEBHYYIEFQANX-WUXMJOGZSA-N -1 3 268.316 2.992 20 30 CFEDHM CC[S@](=O)[C@@H]1CCC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000175896481 380151524 /nfs/dbraw/zinc/15/15/24/380151524.db2.gz KILULSIFXFDDBX-SPSZWMSBSA-N -1 3 279.405 2.891 20 30 CFEDHM N#Cc1cnccc1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000336017302 380242933 /nfs/dbraw/zinc/24/29/33/380242933.db2.gz XVAXIUWFTRGLCJ-UHFFFAOYSA-N -1 3 293.660 2.559 20 30 CFEDHM C=C1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000264480042 383744627 /nfs/dbraw/zinc/74/46/27/383744627.db2.gz PSQVUSIARNRRNP-UHFFFAOYSA-N -1 3 271.316 2.651 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)n1 ZINC000279089633 194279270 /nfs/dbraw/zinc/27/92/70/194279270.db2.gz NHMDBTMTQWNMGB-VXGBXAGGSA-N -1 3 282.347 2.774 20 30 CFEDHM Cc1cc(C(=O)N2CCc3ccc(C#N)cc32)ccc1[O-] ZINC000336631024 380577058 /nfs/dbraw/zinc/57/70/58/380577058.db2.gz FZJMQXCXQLKDPQ-UHFFFAOYSA-N -1 3 278.311 2.775 20 30 CFEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1F ZINC000180016248 380609543 /nfs/dbraw/zinc/60/95/43/380609543.db2.gz BTJXTWTWPJBCLA-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM C=CCN(CCCCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000181550977 380823653 /nfs/dbraw/zinc/82/36/53/380823653.db2.gz YYCKOWICZWCNCR-UHFFFAOYSA-N -1 3 292.335 2.838 20 30 CFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000358513187 380896397 /nfs/dbraw/zinc/89/63/97/380896397.db2.gz JPOJOUZJUHQQNO-UHFFFAOYSA-N -1 3 284.381 2.729 20 30 CFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000182011308 380964822 /nfs/dbraw/zinc/96/48/22/380964822.db2.gz JOUCDJIUODRUQQ-FZMZJTMJSA-N -1 3 296.367 2.576 20 30 CFEDHM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1ccncn1 ZINC000354410271 381249192 /nfs/dbraw/zinc/24/91/92/381249192.db2.gz KUVGJHGMESSFAP-CYBMUJFWSA-N -1 3 290.282 2.622 20 30 CFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000049458986 412943757 /nfs/dbraw/zinc/94/37/57/412943757.db2.gz BUXPVROGIZJGAX-CYBMUJFWSA-N -1 3 281.315 2.754 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(C)(C)C ZINC000049457944 412945474 /nfs/dbraw/zinc/94/54/74/412945474.db2.gz YWQMMZQNSLFTOR-LBPRGKRZSA-N -1 3 282.347 2.832 20 30 CFEDHM Cc1sc([N-]C(=O)c2nccc(C)n2)c(C#N)c1C ZINC000347961881 381436594 /nfs/dbraw/zinc/43/65/94/381436594.db2.gz BGYVOLGZBOQKRF-UHFFFAOYSA-N -1 3 272.333 2.587 20 30 CFEDHM Cc1noc([N-]C(=O)[C@@H](C)Oc2ccccc2C#N)c1C ZINC000359739021 381587976 /nfs/dbraw/zinc/58/79/76/381587976.db2.gz JZGBLTRGJOAGCK-LLVKDONJSA-N -1 3 285.303 2.569 20 30 CFEDHM C=CCN(CCc1ccco1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000299182782 381854954 /nfs/dbraw/zinc/85/49/54/381854954.db2.gz ZLYSWJIHVLEGIQ-ZDUSSCGKSA-N -1 3 287.363 2.875 20 30 CFEDHM C=C(C)[C@@H](Cc1nc(-c2ccc3n[n-]nc3c2)no1)OCC ZINC000350520743 382013985 /nfs/dbraw/zinc/01/39/85/382013985.db2.gz RXYSXUSUSNZZMY-CYBMUJFWSA-N -1 3 299.334 2.532 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000351577158 382047089 /nfs/dbraw/zinc/04/70/89/382047089.db2.gz QYICEDCWSGANAF-UHFFFAOYSA-N -1 3 271.357 2.769 20 30 CFEDHM C=C[C@H](C)NCc1cccc([O-])c1Br ZINC000314902854 382527238 /nfs/dbraw/zinc/52/72/38/382527238.db2.gz AFVDCWSTBIBZAJ-QMMMGPOBSA-N -1 3 256.143 2.819 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)s1 ZINC000387235616 382597391 /nfs/dbraw/zinc/59/73/91/382597391.db2.gz ISUDWNIDAPIEMM-NSHDSACASA-N -1 3 296.417 2.621 20 30 CFEDHM CCc1ccc(C(=O)NCc2cccc(C#N)c2)c([O-])c1 ZINC000189268020 382578662 /nfs/dbraw/zinc/57/86/62/382578662.db2.gz BKBMUYNTOZDKSU-UHFFFAOYSA-N -1 3 280.327 2.756 20 30 CFEDHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230343067 382859551 /nfs/dbraw/zinc/85/95/51/382859551.db2.gz ADUWMFJZQWTOJM-LLVKDONJSA-N -1 3 298.433 2.867 20 30 CFEDHM CCc1nn(C)cc1[N-]c1nc(Cl)c(C#N)s1 ZINC000231087388 382864305 /nfs/dbraw/zinc/86/43/05/382864305.db2.gz YEYHDNVXVACONT-UHFFFAOYSA-N -1 3 267.745 2.708 20 30 CFEDHM COc1cc(C(=O)Nc2ccc(F)c(C#N)c2)ccc1[O-] ZINC000442658167 382943400 /nfs/dbraw/zinc/94/34/00/382943400.db2.gz ZMZRQQSBBMNQDV-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM CCc1cccc(C(=O)Nc2cc(C)nn2CCC#N)c1[O-] ZINC000536690158 382956730 /nfs/dbraw/zinc/95/67/30/382956730.db2.gz LLYFFUPEKINWSK-UHFFFAOYSA-N -1 3 298.346 2.626 20 30 CFEDHM CC[C@H](CC#N)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000578878950 382962936 /nfs/dbraw/zinc/96/29/36/382962936.db2.gz JPTQWGNJCGOXIG-CYBMUJFWSA-N -1 3 282.347 2.631 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444068117 382971932 /nfs/dbraw/zinc/97/19/32/382971932.db2.gz BRAKDBMBMCNRGD-ZETCQYMHSA-N -1 3 297.273 2.697 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1C ZINC000338315095 382988148 /nfs/dbraw/zinc/98/81/48/382988148.db2.gz KNSHGDWSEHSPDD-AWEZNQCLSA-N -1 3 282.347 2.539 20 30 CFEDHM C=C[C@H](C)ON=C([O-])Nc1cccc(NC(=O)OC)c1C ZINC000496103461 383064035 /nfs/dbraw/zinc/06/40/35/383064035.db2.gz MQPYFPNHOCGJMJ-VIFPVBQESA-N -1 3 293.323 2.801 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Nc1cccc(NC(=O)OC)c1C ZINC000496103461 383064039 /nfs/dbraw/zinc/06/40/39/383064039.db2.gz MQPYFPNHOCGJMJ-VIFPVBQESA-N -1 3 293.323 2.801 20 30 CFEDHM C[C@H]1CCc2onc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000582101946 383085352 /nfs/dbraw/zinc/08/53/52/383085352.db2.gz AVYRDOTVCOSHAU-JQWIXIFHSA-N -1 3 281.315 2.684 20 30 CFEDHM C=CCN(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000566801698 383212404 /nfs/dbraw/zinc/21/24/04/383212404.db2.gz CLJCSFHTSDFNTF-UHFFFAOYSA-N -1 3 269.728 2.535 20 30 CFEDHM C=CCCCN(C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000566979330 383230710 /nfs/dbraw/zinc/23/07/10/383230710.db2.gz SSEHXQXEXAPQGD-CYBMUJFWSA-N -1 3 251.301 2.849 20 30 CFEDHM Cc1cc([N-]c2ncc(C#N)cc2F)nn1[C@@H](C)C1CC1 ZINC000519630963 383231706 /nfs/dbraw/zinc/23/17/06/383231706.db2.gz USALVRXYFIPAOD-JTQLQIEISA-N -1 3 285.326 2.734 20 30 CFEDHM Cc1cc(C#N)cnc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000568906138 383449497 /nfs/dbraw/zinc/44/94/97/383449497.db2.gz LURSWUINVMHATL-UHFFFAOYSA-N -1 3 278.271 2.684 20 30 CFEDHM C=CCC1(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CCCC1 ZINC000450773217 383487757 /nfs/dbraw/zinc/48/77/57/383487757.db2.gz ANLCHNIDWVCNOA-UHFFFAOYSA-N -1 3 299.321 2.518 20 30 CFEDHM C[C@H](CC#N)N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528419104 383528469 /nfs/dbraw/zinc/52/84/69/383528469.db2.gz VBNYPPQPYDNKED-MRVPVSSYSA-N -1 3 297.152 2.529 20 30 CFEDHM C=CCOc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000436557475 383836254 /nfs/dbraw/zinc/83/62/54/383836254.db2.gz WSTNVSDKBHSNFM-UHFFFAOYSA-N -1 3 283.327 2.887 20 30 CFEDHM Cc1cccc(C(=O)NCCc2cccc(C#N)c2)c1[O-] ZINC000436753046 383890548 /nfs/dbraw/zinc/89/05/48/383890548.db2.gz ZSAJKTFYIOFLOJ-UHFFFAOYSA-N -1 3 280.327 2.545 20 30 CFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000573289432 383904024 /nfs/dbraw/zinc/90/40/24/383904024.db2.gz OCBZEGVLSVEHIV-CYBMUJFWSA-N -1 3 281.315 2.754 20 30 CFEDHM CCCC1(C/N=C/c2c([O-])c(C)ncc2CO)CC1 ZINC000268477009 384625627 /nfs/dbraw/zinc/62/56/27/384625627.db2.gz ZJCZEVYGBPTZEV-LZYBPNLTSA-N -1 3 262.353 2.587 20 30 CFEDHM C=C(C)[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)OCC ZINC000270025964 384946483 /nfs/dbraw/zinc/94/64/83/384946483.db2.gz JZYBZDOXXZFYQZ-CYBMUJFWSA-N -1 3 274.320 2.966 20 30 CFEDHM N#C[C@H]1CC[C@H](N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092110 385183495 /nfs/dbraw/zinc/18/34/95/385183495.db2.gz JRMZIOVWNBQOLO-BBRMVZONSA-N -1 3 298.386 2.979 20 30 CFEDHM CCc1onc(C)c1[N-]C(=O)c1cc(C#N)oc1C ZINC000281401847 195227045 /nfs/dbraw/zinc/22/70/45/195227045.db2.gz WHHAHYVPSUULKU-UHFFFAOYSA-N -1 3 259.265 2.571 20 30 CFEDHM Cc1ccc(C)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354462431 533655397 /nfs/dbraw/zinc/65/53/97/533655397.db2.gz HLQFHJHGMVAJKI-ZDUSSCGKSA-N -1 3 251.289 2.584 20 30 CFEDHM Cc1csc([N-]C(=O)c2csnc2C)c1C#N ZINC000335991811 393713692 /nfs/dbraw/zinc/71/36/92/393713692.db2.gz DMVFDYVWUPMWNE-UHFFFAOYSA-N -1 3 263.347 2.945 20 30 CFEDHM Cc1ccc([O-])c(CN(CCC#N)CC(C)(C)C)n1 ZINC000093101125 393795896 /nfs/dbraw/zinc/79/58/96/393795896.db2.gz BGBYAAVUVBLUBD-UHFFFAOYSA-N -1 3 261.369 2.857 20 30 CFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1csc(=O)[n-]1 ZINC000471884747 393923213 /nfs/dbraw/zinc/92/32/13/393923213.db2.gz IMKHJDFKAJGNAC-UHFFFAOYSA-N -1 3 299.355 2.549 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000416953151 393946971 /nfs/dbraw/zinc/94/69/71/393946971.db2.gz HJVIVAWUDBLHGL-CYBMUJFWSA-N -1 3 296.392 2.826 20 30 CFEDHM Cn1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1C#N ZINC000417602943 393981988 /nfs/dbraw/zinc/98/19/88/393981988.db2.gz PXBGDGWXUALKEG-MRXNPFEDSA-N -1 3 297.358 2.592 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(Br)c1 ZINC000417632164 393987287 /nfs/dbraw/zinc/98/72/87/393987287.db2.gz WLGUZHPTJRUYCW-LBPRGKRZSA-N -1 3 298.180 2.958 20 30 CFEDHM C#CC[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492523729 394070430 /nfs/dbraw/zinc/07/04/30/394070430.db2.gz XVWYFTDJHRDAQY-DOOKAGJSSA-N -1 3 292.338 2.681 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000359398046 394132663 /nfs/dbraw/zinc/13/26/63/394132663.db2.gz DTUGKCRKPPHFRU-UHFFFAOYSA-N -1 3 298.346 2.503 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000359398046 394132666 /nfs/dbraw/zinc/13/26/66/394132666.db2.gz DTUGKCRKPPHFRU-UHFFFAOYSA-N -1 3 298.346 2.503 20 30 CFEDHM C[C@](C#N)(NC(=O)/C=C/c1cncc([O-])c1)C1CCCCC1 ZINC000493342897 394216921 /nfs/dbraw/zinc/21/69/21/394216921.db2.gz ZUVHXHFSRRXRPH-IWAYRVGRSA-N -1 3 299.374 2.779 20 30 CFEDHM N#C[C@@H]1N(Cc2ccccc2[O-])CCC[C@@]12CCCCO2 ZINC000366151343 394240261 /nfs/dbraw/zinc/24/02/61/394240261.db2.gz JSIUXPGBZZQOBB-IRXDYDNUSA-N -1 3 286.375 2.819 20 30 CFEDHM C=CCC[C@H](NCc1cc([O-])cc(F)c1)C(=O)OCC ZINC000449651807 394282824 /nfs/dbraw/zinc/28/28/24/394282824.db2.gz AEOPWIWQJMSMDW-AWEZNQCLSA-N -1 3 281.327 2.519 20 30 CFEDHM CCC(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156049520 394328113 /nfs/dbraw/zinc/32/81/13/394328113.db2.gz RZBIRQSEFLONRM-UHFFFAOYSA-N -1 3 286.784 2.679 20 30 CFEDHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156941005 394340124 /nfs/dbraw/zinc/34/01/24/394340124.db2.gz MNOYJKWQKNRLSW-UHFFFAOYSA-N -1 3 284.356 2.554 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2CCN2C2CCCC2)sc1Cl ZINC000528207326 394402615 /nfs/dbraw/zinc/40/26/15/394402615.db2.gz CDHSHQIOAUAZQK-JTQLQIEISA-N -1 3 296.827 2.519 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCO3)n1 ZINC000041515885 397554437 /nfs/dbraw/zinc/55/44/37/397554437.db2.gz FYYJKXYXIUWMMH-LBPRGKRZSA-N -1 3 284.340 2.877 20 30 CFEDHM C=CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000656760503 413191067 /nfs/dbraw/zinc/19/10/67/413191067.db2.gz VQNQOPSYNPSBAO-LBPRGKRZSA-N -1 3 260.337 2.568 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000657077301 413303926 /nfs/dbraw/zinc/30/39/26/413303926.db2.gz PIGSYFYSLNFTRO-UHFFFAOYSA-N -1 3 297.273 2.699 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2cnc(C)s2)CCCC1 ZINC000657186215 413331997 /nfs/dbraw/zinc/33/19/97/413331997.db2.gz CBRPBXOCPZATIT-UHFFFAOYSA-N -1 3 286.422 2.619 20 30 CFEDHM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263356 413386698 /nfs/dbraw/zinc/38/66/98/413386698.db2.gz LMAPSJAEBYLQJD-NWDGAFQWSA-N -1 3 280.331 2.665 20 30 CFEDHM N#Cc1c[nH]c2ncc(-c3cc(F)ccc3[O-])cc12 ZINC001240697773 782011280 /nfs/dbraw/zinc/01/12/80/782011280.db2.gz CNKFQXFBUNPFMU-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000350866668 163111784 /nfs/dbraw/zinc/11/17/84/163111784.db2.gz DWACAWREZSZJLE-GFCCVEGCSA-N -1 3 296.367 2.554 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cc(C)c(C)cc1OC ZINC000656633772 414619228 /nfs/dbraw/zinc/61/92/28/414619228.db2.gz NAOWODVWIKMWFS-UHFFFAOYSA-N -1 3 269.366 2.630 20 30 CFEDHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2csc(=O)[n-]2)C1 ZINC000329980009 228005537 /nfs/dbraw/zinc/00/55/37/228005537.db2.gz KMWPGYSEFSCHMO-OTYXRUKQSA-N -1 3 298.408 2.731 20 30 CFEDHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2csc(=O)[n-]2)C1 ZINC000329980010 228005567 /nfs/dbraw/zinc/00/55/67/228005567.db2.gz KMWPGYSEFSCHMO-YMTOWFKASA-N -1 3 298.408 2.731 20 30 CFEDHM [O-]c1ccccc1/C=N/Cc1ccc(N2CCOCC2)cc1 ZINC000066887667 260249791 /nfs/dbraw/zinc/24/97/91/260249791.db2.gz NFJNRCYMFBLEKM-XMHGGMMESA-N -1 3 296.370 2.848 20 30 CFEDHM C#C[C@@H](CCC)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000490715278 261190299 /nfs/dbraw/zinc/19/02/99/261190299.db2.gz WFXOLQPCYWCPTP-VIFPVBQESA-N -1 3 285.265 2.943 20 30 CFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC(C#N)CC1)c2=O ZINC000162818429 261294907 /nfs/dbraw/zinc/29/49/07/261294907.db2.gz ARMLLDVAJYFDPU-UHFFFAOYSA-N -1 3 295.342 2.625 20 30 CFEDHM CC(C)(C)CN(CCC#N)C(=O)c1cccc([O-])c1 ZINC000182388247 261936704 /nfs/dbraw/zinc/93/67/04/261936704.db2.gz RIIVDLDDBAEFFZ-UHFFFAOYSA-N -1 3 260.337 2.794 20 30 CFEDHM C=C(C)CNN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000497206587 262103972 /nfs/dbraw/zinc/10/39/72/262103972.db2.gz DEPLEIKULMADCL-UHFFFAOYSA-N -1 3 296.396 2.990 20 30 CFEDHM CC(C)(C)n1cc(/C=C2\Cc3c(cccc3[O-])C2=O)nn1 ZINC000191261665 262190648 /nfs/dbraw/zinc/19/06/48/262190648.db2.gz NJCLEHQSCPYYKX-JXMROGBWSA-N -1 3 283.331 2.561 20 30 CFEDHM N#CCCCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000193160830 262217963 /nfs/dbraw/zinc/21/79/63/262217963.db2.gz LHHJUWPIGVJIML-UHFFFAOYSA-N -1 3 286.253 2.835 20 30 CFEDHM COC[C@H](C/N=C/c1c([O-])ccc2ccccc21)OC ZINC000272618291 263007558 /nfs/dbraw/zinc/00/75/58/263007558.db2.gz JCOWMJVOONTFAA-VZWMTCDZSA-N -1 3 273.332 2.626 20 30 CFEDHM COc1cc(C(=O)N[C@H](C#N)C2CCCCC2)ccc1[O-] ZINC000272639133 263007844 /nfs/dbraw/zinc/00/78/44/263007844.db2.gz XFPZQBIIABVHNK-CYBMUJFWSA-N -1 3 288.347 2.603 20 30 CFEDHM COc1cc(Cl)cc(CN(C)C[C@H](C)C#N)c1[O-] ZINC000273714184 263019245 /nfs/dbraw/zinc/01/92/45/263019245.db2.gz GVFLMICLPVYVHZ-SECBINFHSA-N -1 3 268.744 2.646 20 30 CFEDHM C[C@H](C#N)CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280562434 263063070 /nfs/dbraw/zinc/06/30/70/263063070.db2.gz KZNPDLXJQMOIJM-MRVPVSSYSA-N -1 3 286.253 2.643 20 30 CFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281363488 263068338 /nfs/dbraw/zinc/06/83/38/263068338.db2.gz BYFIEBHHDRZVBV-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/CCCC(F)(F)F)c1O ZINC000281817314 263072252 /nfs/dbraw/zinc/07/22/52/263072252.db2.gz QUFFKWOKIBWNMQ-GIDUJCDVSA-N -1 3 263.215 2.565 20 30 CFEDHM CCCOc1ccc(/C=N/CC2=CCCOC2)c([O-])c1 ZINC000286946057 263100321 /nfs/dbraw/zinc/10/03/21/263100321.db2.gz AJEJYADHNCWVKH-GZTJUZNOSA-N -1 3 275.348 2.947 20 30 CFEDHM CCOc1cc(-c2noc(CC(C)(C)C#N)n2)ccc1[O-] ZINC000289238764 263108282 /nfs/dbraw/zinc/10/82/82/263108282.db2.gz UTINPGBDUMTPEV-UHFFFAOYSA-N -1 3 287.319 2.933 20 30 CFEDHM C=CCN(CCC#N)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000293679737 263146812 /nfs/dbraw/zinc/14/68/12/263146812.db2.gz HCMYUEQEAYESPX-UHFFFAOYSA-N -1 3 284.359 2.813 20 30 CFEDHM C=CCN(CCC#N)Cc1c(F)ccc([O-])c1F ZINC000293810183 263149856 /nfs/dbraw/zinc/14/98/56/263149856.db2.gz DYWHHXLVVVEVFA-UHFFFAOYSA-N -1 3 252.264 2.572 20 30 CFEDHM CCOc1cc(CN2CC(C)(C#N)C2)cc(Cl)c1[O-] ZINC000297294608 263202957 /nfs/dbraw/zinc/20/29/57/263202957.db2.gz AWBJKIWABSZXSG-UHFFFAOYSA-N -1 3 280.755 2.790 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CSC)cc1 ZINC000416945350 263770950 /nfs/dbraw/zinc/77/09/50/263770950.db2.gz VZUISHFWDVJYLC-LBPRGKRZSA-N -1 3 284.406 2.593 20 30 CFEDHM C=C[C@H](CC)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000934945040 649859767 /nfs/dbraw/zinc/85/97/67/649859767.db2.gz LYMDWKPYHGGUSR-SNVBAGLBSA-N -1 3 251.301 2.750 20 30 CFEDHM C=C[C@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331247438 264179130 /nfs/dbraw/zinc/17/91/30/264179130.db2.gz WBUHAYPZAFEZGF-VIFPVBQESA-N -1 3 261.321 2.985 20 30 CFEDHM C[C@@H](O)C(C)(C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331247410 264179546 /nfs/dbraw/zinc/17/95/46/264179546.db2.gz VYKILCAWCGNEBZ-SECBINFHSA-N -1 3 293.363 2.570 20 30 CFEDHM CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C1CCOCC1 ZINC000331249285 264180504 /nfs/dbraw/zinc/18/05/04/264180504.db2.gz XMZYVGPZZGCLDX-CQSZACIVSA-N -1 3 293.363 2.911 20 30 CFEDHM CC[C@@H](NC(=O)c1ccccc1[O-])C1CCOCC1 ZINC000331251469 264180822 /nfs/dbraw/zinc/18/08/22/264180822.db2.gz ZYYYLBUKPMSHJR-CYBMUJFWSA-N -1 3 263.337 2.902 20 30 CFEDHM CCc1nc(C(C)(C)NC(=O)c2cc(C)ccc2[O-])no1 ZINC000331264462 264185537 /nfs/dbraw/zinc/18/55/37/264185537.db2.gz GTDGSZBDPNSKCE-UHFFFAOYSA-N -1 3 289.335 2.886 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1[O-] ZINC000331351364 264206406 /nfs/dbraw/zinc/20/64/06/264206406.db2.gz ODFOOXOGGUIWHF-CMPLNLGQSA-N -1 3 291.347 2.715 20 30 CFEDHM C[C@H]1OCC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091735 620636568 /nfs/dbraw/zinc/63/65/68/620636568.db2.gz KRZPXTHGWCRQMY-DOMZBBRYSA-N -1 3 285.343 2.983 20 30 CFEDHM CC[C@H](c1ccccc1[O-])N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369927468 267276950 /nfs/dbraw/zinc/27/69/50/267276950.db2.gz AGENZMNAOIFFFE-GOEBONIOSA-N -1 3 285.391 2.515 20 30 CFEDHM CCc1ocnc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000274929876 276709703 /nfs/dbraw/zinc/70/97/03/276709703.db2.gz AKOMUSCOSFFQOH-UHFFFAOYSA-N -1 3 296.330 2.635 20 30 CFEDHM C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)n[n-]c1=NC(C)(C)C ZINC000333115403 277787126 /nfs/dbraw/zinc/78/71/26/277787126.db2.gz YNPJKFLOYXWEII-NWDGAFQWSA-N -1 3 278.400 2.584 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)c2c([O-])cccc21 ZINC000336259363 278540879 /nfs/dbraw/zinc/54/08/79/278540879.db2.gz ZLVUFOJHSPWNJL-LLVKDONJSA-N -1 3 295.342 2.756 20 30 CFEDHM N#Cc1ccc(/C=C\C(=O)[N-]OCc2ccccc2)cc1 ZINC000056687702 280451494 /nfs/dbraw/zinc/45/14/94/280451494.db2.gz 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CFEDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230350043 524138376 /nfs/dbraw/zinc/13/83/76/524138376.db2.gz AEXZJMDXVHESEU-WDEREUQCSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C#N ZINC000235901075 525423112 /nfs/dbraw/zinc/42/31/12/525423112.db2.gz REOHFIDXOBTAKQ-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000111235244 526535895 /nfs/dbraw/zinc/53/58/95/526535895.db2.gz KZJCXDQEOKFVOG-CQSZACIVSA-N -1 3 290.407 2.637 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000353180120 527055372 /nfs/dbraw/zinc/05/53/72/527055372.db2.gz LEZWAHWHVSKSHV-LLVKDONJSA-N -1 3 298.364 2.536 20 30 CFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744031147 574049873 /nfs/dbraw/zinc/04/98/73/574049873.db2.gz RONAWINWSUTPRV-WTNCMQEWSA-N -1 3 298.342 2.699 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1ccc(F)cc1 ZINC000753956012 574058953 /nfs/dbraw/zinc/05/89/53/574058953.db2.gz 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/nfs/dbraw/zinc/18/71/87/574187187.db2.gz QEGDAEOXIRKWSJ-AVIKPIRVSA-N -1 3 263.337 2.636 20 30 CFEDHM O=c1[nH]c2c(cc1CN=Cc1ccccc1[O-])CCC2 ZINC000733080948 574187160 /nfs/dbraw/zinc/18/71/60/574187160.db2.gz HIFDONJCLYIDKQ-RQZCQDPDSA-N -1 3 268.316 2.601 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/C[C@@H]2OCCc3ccccc32)c1O ZINC000733081183 574187164 /nfs/dbraw/zinc/18/71/64/574187164.db2.gz QFOYGKWQFNMXIK-UPAIAECRSA-N -1 3 299.326 2.536 20 30 CFEDHM COc1cccc([O-])c1C=Nc1ccc(CNC(C)=O)cc1 ZINC000733081468 574187216 /nfs/dbraw/zinc/18/72/16/574187216.db2.gz ZHCUREJXMBXFLM-UHFFFAOYSA-N -1 3 298.342 2.788 20 30 CFEDHM [O-]c1c(O)cccc1C=NNc1cc(F)c(F)c(F)c1 ZINC000747639055 574204696 /nfs/dbraw/zinc/20/46/96/574204696.db2.gz ZCSQBVMTXIFOER-UHFFFAOYSA-N -1 3 282.221 2.961 20 30 CFEDHM Cc1ccc(F)c(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000747708335 574207654 /nfs/dbraw/zinc/20/76/54/574207654.db2.gz WXSZSEQTQNQIRJ-UHFFFAOYSA-N -1 3 274.295 2.786 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cccc3cccnc32)c1[O-] ZINC000747713074 574208148 /nfs/dbraw/zinc/20/81/48/574208148.db2.gz OOGMYKGDYZSLPV-UHFFFAOYSA-N -1 3 293.326 2.887 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000739425259 574213419 /nfs/dbraw/zinc/21/34/19/574213419.db2.gz CTZBQVNKIBUYEX-QWILQJCXSA-N -1 3 276.380 2.832 20 30 CFEDHM C[C@H]([C@H](C)/N=C\c1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000729641050 574225727 /nfs/dbraw/zinc/22/57/27/574225727.db2.gz BCFVARSEJWVUCK-LMGRUFGKSA-N -1 3 296.798 2.574 20 30 CFEDHM C=CCC[C@H](NCc1nn(CC)c2ccccc12)C(=O)[O-] ZINC000756379689 574231433 /nfs/dbraw/zinc/23/14/33/574231433.db2.gz OMEBBKAYBPQYMA-ZDUSSCGKSA-N -1 3 287.363 2.565 20 30 CFEDHM COc1ccc(C=NNc2cnnc3ccccc32)c([O-])c1 ZINC000733749876 574255359 /nfs/dbraw/zinc/25/53/59/574255359.db2.gz CXNJMXSOUVCKPU-UHFFFAOYSA-N -1 3 294.314 2.790 20 30 CFEDHM COc1cccc([O-])c1C=NNc1ccnc2ccccc21 ZINC000730148150 574255503 /nfs/dbraw/zinc/25/55/03/574255503.db2.gz YCBPHHUKKGTBCQ-UHFFFAOYSA-N -1 3 293.326 2.817 20 30 CFEDHM CCOc1cc(C=NNCC(F)F)cc(Cl)c1[O-] ZINC000740617965 574258442 /nfs/dbraw/zinc/25/84/42/574258442.db2.gz GNIRNKQBXJPATL-UHFFFAOYSA-N -1 3 278.686 2.633 20 30 CFEDHM C=C(COC(=O)c1cc2ccsc2[n-]1)C(=O)OCC ZINC000734026036 574269580 /nfs/dbraw/zinc/26/95/80/574269580.db2.gz DHYWCSIXFSCZFS-UHFFFAOYSA-N -1 3 279.317 2.506 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@H]1CCCSC1 ZINC000749007953 574276412 /nfs/dbraw/zinc/27/64/12/574276412.db2.gz PRZIBJSUUNIRRS-CEITULEQSA-N -1 3 251.351 2.715 20 30 CFEDHM CCOc1ccc(/C=N/CC2CCOCC2)c([O-])c1 ZINC000749104542 574279832 /nfs/dbraw/zinc/27/98/32/574279832.db2.gz MWFKTQRLUQEBAU-LFIBNONCSA-N -1 3 263.337 2.636 20 30 CFEDHM CCC(CC)NN=C1C(=O)[N-]c2c1c(C)ccc2F ZINC000734366268 574283994 /nfs/dbraw/zinc/28/39/94/574283994.db2.gz LABYSQKKGXTSTC-UHFFFAOYSA-N -1 3 263.316 2.569 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)C2CCCCC2)c1[O-] ZINC000741466296 574291682 /nfs/dbraw/zinc/29/16/82/574291682.db2.gz LSUZDZZMNKOODL-PBFYJAPKSA-N -1 3 276.380 2.976 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@H]1CCCc2nc(C)ncc21 ZINC000734753293 574301089 /nfs/dbraw/zinc/30/10/89/574301089.db2.gz RCMXRUGSJHKFFM-FVOVHSBVSA-N -1 3 297.358 2.996 20 30 CFEDHM C=CC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735409403 574323856 /nfs/dbraw/zinc/32/38/56/574323856.db2.gz DXAMZPJUXHJYLD-ZETCQYMHSA-N -1 3 298.272 2.657 20 30 CFEDHM C=CC[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735409403 574323857 /nfs/dbraw/zinc/32/38/57/574323857.db2.gz DXAMZPJUXHJYLD-ZETCQYMHSA-N -1 3 298.272 2.657 20 30 CFEDHM C=CCSCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735436538 574324280 /nfs/dbraw/zinc/32/42/80/574324280.db2.gz MQISIGZZSQCRKM-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM C=CCSCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735436538 574324281 /nfs/dbraw/zinc/32/42/81/574324281.db2.gz MQISIGZZSQCRKM-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM O=C(OCC#Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000750163644 574328897 /nfs/dbraw/zinc/32/88/97/574328897.db2.gz CSYPFJNWPQBVKV-UHFFFAOYSA-N -1 3 288.249 2.879 20 30 CFEDHM N#Cc1ccccc1COC(=O)c1ccc(F)cc1[O-] ZINC000750166152 574329206 /nfs/dbraw/zinc/32/92/06/574329206.db2.gz QXDVZPZMLZKSBU-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=C3CCCC3)nc1-2 ZINC000750721178 574352458 /nfs/dbraw/zinc/35/24/58/574352458.db2.gz BHBZIPIZIRVHIP-GFCCVEGCSA-N -1 3 280.331 2.943 20 30 CFEDHM C=CCCC(CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000750936309 574363790 /nfs/dbraw/zinc/36/37/90/574363790.db2.gz PZCPUTXMUWWKPE-UHFFFAOYSA-N -1 3 280.393 2.838 20 30 CFEDHM C[C@H]1CN(CC/N=C\c2c([O-])ccc3ccccc32)CCO1 ZINC000750950720 574365349 /nfs/dbraw/zinc/36/53/49/574365349.db2.gz ZYUAJQFLEOBNHF-YQNUULROSA-N -1 3 298.386 2.685 20 30 CFEDHM C[C@H](NC(=O)c1cc([O-])cs1)c1cccc(C#N)c1 ZINC000743812957 574372730 /nfs/dbraw/zinc/37/27/30/574372730.db2.gz GSQNXOYIKQUTOD-VIFPVBQESA-N -1 3 272.329 2.816 20 30 CFEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1cc(F)ccc1[O-] ZINC000751530894 574378490 /nfs/dbraw/zinc/37/84/90/574378490.db2.gz JRUXRKIXDXPYPN-MRVPVSSYSA-N -1 3 295.383 2.518 20 30 CFEDHM CCCCC[C@@H](/N=C\c1ccccc1[O-])C(=O)OC ZINC000751891035 574384338 /nfs/dbraw/zinc/38/43/38/574384338.db2.gz SHNUMEAVOHZIDP-YYTPVVGHSA-N -1 3 263.337 2.933 20 30 CFEDHM N#Cc1ccc(C(=O)OC/C=C\c2ccccc2)[n-]1 ZINC000752474715 574391626 /nfs/dbraw/zinc/39/16/26/574391626.db2.gz YOXDEMJVVMUOLC-DAXSKMNVSA-N -1 3 252.273 2.757 20 30 CFEDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCC#N ZINC000752886819 574396094 /nfs/dbraw/zinc/39/60/94/574396094.db2.gz WTHIQXQSDJXOKG-GQCTYLIASA-N -1 3 297.314 2.572 20 30 CFEDHM COc1cc(C(=O)/C=C\c2ncc(Cl)n2C)ccc1[O-] ZINC000752885508 574396147 /nfs/dbraw/zinc/39/61/47/574396147.db2.gz HOIFGCRMBKTDTQ-WAYWQWQTSA-N -1 3 292.722 2.684 20 30 CFEDHM Cc1cc(N=NCc2cccc(Cl)c2[O-])nc(C)n1 ZINC000753163233 574399648 /nfs/dbraw/zinc/39/96/48/574399648.db2.gz OCTXZTQVUQUHNF-UHFFFAOYSA-N -1 3 276.727 2.898 20 30 CFEDHM CCCCCCCCCC(=O)[N-]O[C@H]1CCOC1 ZINC000753197307 574400089 /nfs/dbraw/zinc/40/00/89/574400089.db2.gz FACZSMQIVBZNEJ-ZDUSSCGKSA-N -1 3 257.374 2.964 20 30 CFEDHM CCOc1ccc(CN2CCC[C@@](C)(C#N)C2)c([O-])c1 ZINC000753586049 574405443 /nfs/dbraw/zinc/40/54/43/574405443.db2.gz DGVIDAYJERAHNU-INIZCTEOSA-N -1 3 274.364 2.917 20 30 CFEDHM Cn1cnc2cccc(C(=O)N([O-])Cc3ccc(F)cc3)c21 ZINC000900095320 620637259 /nfs/dbraw/zinc/63/72/59/620637259.db2.gz YJQKBQBWERKIHY-UHFFFAOYSA-N -1 3 299.305 2.744 20 30 CFEDHM O=C(c1ccccc1[O-])N(O)Cc1ccc(F)cc1 ZINC000900095816 620637694 /nfs/dbraw/zinc/63/76/94/620637694.db2.gz KQAHLSSVEJCZDI-UHFFFAOYSA-N -1 3 261.252 2.563 20 30 CFEDHM N#Cc1ccc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC000821336155 598194334 /nfs/dbraw/zinc/19/43/34/598194334.db2.gz QDAWWFSZHXXURH-UHFFFAOYSA-N -1 3 272.329 2.608 20 30 CFEDHM CCCCCCCCN1CCO[C@H](CC(=O)[O-])C1 ZINC000118018173 601459987 /nfs/dbraw/zinc/45/99/87/601459987.db2.gz LNZOLHVBAYHSRU-CYBMUJFWSA-N -1 3 257.374 2.522 20 30 CFEDHM C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833614479 604604951 /nfs/dbraw/zinc/60/49/51/604604951.db2.gz NOCLAEMVJTUSNM-LBPRGKRZSA-N -1 3 272.348 2.878 20 30 CFEDHM C[C@H](CN(CC#Cc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000833516561 604972733 /nfs/dbraw/zinc/97/27/33/604972733.db2.gz PJIVXKRLEIGYHM-GFCCVEGCSA-N -1 3 291.778 2.877 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC000822224894 606389093 /nfs/dbraw/zinc/38/90/93/606389093.db2.gz DYFWGXJDVUDWDL-HYXAFXHYSA-N -1 3 286.316 2.726 20 30 CFEDHM Oc1ccccc1C=Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823732947 606661864 /nfs/dbraw/zinc/66/18/64/606661864.db2.gz QKZYJYBOBJNYEM-UHFFFAOYSA-N -1 3 299.721 2.976 20 30 CFEDHM Oc1ccccc1C=Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823732947 606661865 /nfs/dbraw/zinc/66/18/65/606661865.db2.gz QKZYJYBOBJNYEM-UHFFFAOYSA-N -1 3 299.721 2.976 20 30 CFEDHM CC[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820971564 606916975 /nfs/dbraw/zinc/91/69/75/606916975.db2.gz DECUCOPCRIRNMN-SNVBAGLBSA-N -1 3 270.340 2.845 20 30 CFEDHM CC[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820971564 606916980 /nfs/dbraw/zinc/91/69/80/606916980.db2.gz DECUCOPCRIRNMN-SNVBAGLBSA-N -1 3 270.340 2.845 20 30 CFEDHM C=CCC[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894278 608275221 /nfs/dbraw/zinc/27/52/21/608275221.db2.gz MFYGBSIQOYAZFC-IIANPFDCSA-N -1 3 298.346 2.778 20 30 CFEDHM C=CCC[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894278 608275222 /nfs/dbraw/zinc/27/52/22/608275222.db2.gz MFYGBSIQOYAZFC-IIANPFDCSA-N -1 3 298.346 2.778 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823894401 608332719 /nfs/dbraw/zinc/33/27/19/608332719.db2.gz PHFKJUVYEACMMB-SECBINFHSA-N -1 3 292.364 2.830 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823894401 608332722 /nfs/dbraw/zinc/33/27/22/608332722.db2.gz PHFKJUVYEACMMB-SECBINFHSA-N -1 3 292.364 2.830 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826315304 608880200 /nfs/dbraw/zinc/88/02/00/608880200.db2.gz FUDQTPCNDOOGHM-HYXAFXHYSA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826315304 608880202 /nfs/dbraw/zinc/88/02/02/608880202.db2.gz FUDQTPCNDOOGHM-HYXAFXHYSA-N -1 3 298.277 2.803 20 30 CFEDHM C=CCCCNc1cc(-c2nn[n-]n2)ccc1NCC ZINC000823894013 609177287 /nfs/dbraw/zinc/17/72/87/609177287.db2.gz DSHGGKOJWAGQRG-UHFFFAOYSA-N -1 3 272.356 2.677 20 30 CFEDHM CC(=NNc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823961837 609273629 /nfs/dbraw/zinc/27/36/29/609273629.db2.gz AGUGDTAAUCJSRQ-UHFFFAOYSA-N -1 3 296.309 2.842 20 30 CFEDHM CC(=NNc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823961837 609273630 /nfs/dbraw/zinc/27/36/30/609273630.db2.gz AGUGDTAAUCJSRQ-UHFFFAOYSA-N -1 3 296.309 2.842 20 30 CFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000824737466 609382537 /nfs/dbraw/zinc/38/25/37/609382537.db2.gz HOMGNJCCSFWJIJ-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM Cc1c(NCc2cc(C#N)cs2)cccc1-c1nnn[n-]1 ZINC000826242458 609485754 /nfs/dbraw/zinc/48/57/54/609485754.db2.gz PNRXXDFDWZRQJE-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM Cc1c(NCc2cc(C#N)cs2)cccc1-c1nn[n-]n1 ZINC000826242458 609485756 /nfs/dbraw/zinc/48/57/56/609485756.db2.gz PNRXXDFDWZRQJE-UHFFFAOYSA-N -1 3 296.359 2.720 20 30 CFEDHM C=CC[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823888555 609554482 /nfs/dbraw/zinc/55/44/82/609554482.db2.gz QGSZVRWUYAVODY-SSDOTTSWSA-N -1 3 278.747 2.600 20 30 CFEDHM C=CC[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823888555 609554484 /nfs/dbraw/zinc/55/44/84/609554484.db2.gz QGSZVRWUYAVODY-SSDOTTSWSA-N -1 3 278.747 2.600 20 30 CFEDHM C=C(C)CN1CCC(Nc2nc(C)c(C(=O)[O-])s2)CC1 ZINC000900940024 620733736 /nfs/dbraw/zinc/73/37/36/620733736.db2.gz AFEXBUAGCKEVDG-UHFFFAOYSA-N -1 3 295.408 2.602 20 30 CFEDHM Cc1ccc(C(=O)N(CCC#N)CC(C)C)c([O-])c1 ZINC000044289199 618025366 /nfs/dbraw/zinc/02/53/66/618025366.db2.gz HQEPTYUHVQLXCM-UHFFFAOYSA-N -1 3 260.337 2.713 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891474338 617625108 /nfs/dbraw/zinc/62/51/08/617625108.db2.gz RSRRLQFYHMSODM-AWEZNQCLSA-N -1 3 289.314 2.547 20 30 CFEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891474338 617625111 /nfs/dbraw/zinc/62/51/11/617625111.db2.gz RSRRLQFYHMSODM-AWEZNQCLSA-N -1 3 289.314 2.547 20 30 CFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188099817 617745825 /nfs/dbraw/zinc/74/58/25/617745825.db2.gz PTOARUXDFKHKDQ-UHFFFAOYSA-N -1 3 291.825 2.792 20 30 CFEDHM CS[C@@H]1CCCC(N=Nc2nc(C)cc(=O)[n-]2)C1 ZINC000901119258 620753134 /nfs/dbraw/zinc/75/31/34/620753134.db2.gz MANKLKMETLXCCI-SNVBAGLBSA-N -1 3 266.370 2.564 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1cccc(Cl)c1 ZINC000846551072 618113441 /nfs/dbraw/zinc/11/34/41/618113441.db2.gz SLVUQDBWBPULFZ-SNVBAGLBSA-N -1 3 269.728 2.731 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1SC ZINC000846551209 618113881 /nfs/dbraw/zinc/11/38/81/618113881.db2.gz XYLFSPAQCGMDGM-JTQLQIEISA-N -1 3 251.351 2.573 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000846551550 618114376 /nfs/dbraw/zinc/11/43/76/618114376.db2.gz WKKYBWSAJVOLMB-WDEREUQCSA-N -1 3 251.301 2.942 20 30 CFEDHM CON=Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000255572970 618169870 /nfs/dbraw/zinc/16/98/70/618169870.db2.gz 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/nfs/dbraw/zinc/79/86/04/620798604.db2.gz WHDIUPWSQFURNF-HNNXBMFYSA-N -1 3 271.291 2.883 20 30 CFEDHM O=C(CCc1ccco1)N([O-])Cc1ccc(F)cc1 ZINC000901375064 620798760 /nfs/dbraw/zinc/79/87/60/620798760.db2.gz AWOGKNVDGSYGKD-UHFFFAOYSA-N -1 3 263.268 2.769 20 30 CFEDHM O=C(COC1CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378733 620799565 /nfs/dbraw/zinc/79/95/65/620799565.db2.gz PLYVIGRUKRPFDU-UHFFFAOYSA-N -1 3 290.146 2.890 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)C#N)n[n-]2)o1 ZINC000180147998 618859115 /nfs/dbraw/zinc/85/91/15/618859115.db2.gz CSXNBBMOUSIOQG-UHFFFAOYSA-N -1 3 273.292 2.685 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)C#N)[n-]n2)o1 ZINC000180147998 618859117 /nfs/dbraw/zinc/85/91/17/618859117.db2.gz CSXNBBMOUSIOQG-UHFFFAOYSA-N -1 3 273.292 2.685 20 30 CFEDHM COc1ccc([O-])c(C(=O)Nc2cccc(OCC#N)c2)c1 ZINC000314625823 619088467 /nfs/dbraw/zinc/08/84/67/619088467.db2.gz KHMXFKHPKCMVSI-UHFFFAOYSA-N -1 3 298.298 2.555 20 30 CFEDHM C[C@H]([C@H](C)/N=C/c1cc(Cl)ccc1[O-])N1CCOCC1 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20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2CCC(C)CC2)c1[O-] ZINC000920175529 624695445 /nfs/dbraw/zinc/69/54/45/624695445.db2.gz WWFRMSHPCWZPAP-RQZCQDPDSA-N -1 3 276.380 2.833 20 30 CFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000233294942 624931978 /nfs/dbraw/zinc/93/19/78/624931978.db2.gz FBDRHBVKMUZFGB-JTQLQIEISA-N -1 3 289.759 2.559 20 30 CFEDHM CC1(C)OCC[C@H]1NN=Cc1c([O-])cccc1Cl ZINC000835016932 625962237 /nfs/dbraw/zinc/96/22/37/625962237.db2.gz JCOAPJCXMAZFPC-GFCCVEGCSA-N -1 3 268.744 2.537 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C#N)C2CCCC2)c1 ZINC000921558030 625989017 /nfs/dbraw/zinc/98/90/17/625989017.db2.gz LHLVTPBYTMEVIJ-ZDUSSCGKSA-N -1 3 290.388 2.926 20 30 CFEDHM N#Cc1cnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000759132265 626630272 /nfs/dbraw/zinc/63/02/72/626630272.db2.gz PCMHTOYIPYZQQS-UHFFFAOYSA-N -1 3 296.311 2.922 20 30 CFEDHM N#Cc1ccc(F)cc1COC(=O)c1ccc([O-])cc1 ZINC000759349652 626648927 /nfs/dbraw/zinc/64/89/27/626648927.db2.gz OJEWKMSELRSHAJ-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM COc1cc(C(=O)/C=C\c2nccs2)c(OC)cc1[O-] ZINC000763105418 626963951 /nfs/dbraw/zinc/96/39/51/626963951.db2.gz QNNDQCTYIHGCHW-ARJAWSKDSA-N -1 3 291.328 2.762 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCc2cc(C#N)ccc2F)n1 ZINC000763208021 626970475 /nfs/dbraw/zinc/97/04/75/626970475.db2.gz GXVAXFKXOGWHMC-UHFFFAOYSA-N -1 3 289.335 2.935 20 30 CFEDHM C=CCOc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000764433066 627059941 /nfs/dbraw/zinc/05/99/41/627059941.db2.gz AXTIATHNDIBQEM-SREVYHEPSA-N -1 3 254.289 2.917 20 30 CFEDHM C[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)CC[C@@H]1C ZINC000767378695 627246810 /nfs/dbraw/zinc/24/68/10/627246810.db2.gz FKARRTUWWCLJFN-QWHCGFSZSA-N -1 3 294.420 2.918 20 30 CFEDHM C[C@@H](C#N)CN(C)Cc1cccc(Br)c1[O-] ZINC000768878199 627381270 /nfs/dbraw/zinc/38/12/70/627381270.db2.gz PJVXNCLOIHLSNF-VIFPVBQESA-N -1 3 283.169 2.746 20 30 CFEDHM CC(N=Nc1nccnc1Cl)c1sccc1[O-] ZINC000769779999 627474029 /nfs/dbraw/zinc/47/40/29/627474029.db2.gz QPVJOYSDHGRALW-UHFFFAOYSA-N -1 3 268.729 2.733 20 30 CFEDHM CC(N=Nc1cncc(Cl)n1)c1sccc1[O-] ZINC000769782220 627474053 /nfs/dbraw/zinc/47/40/53/627474053.db2.gz WRGPTDULIBLKRE-UHFFFAOYSA-N -1 3 268.729 2.733 20 30 CFEDHM CC(=NNCc1ccc(C#N)cc1)c1cc(F)ccc1[O-] ZINC000769814502 627477048 /nfs/dbraw/zinc/47/70/48/627477048.db2.gz JKTVFFMVOLDUMI-UHFFFAOYSA-N -1 3 283.306 2.917 20 30 CFEDHM C#C[C@H]([N-]c1nc2cc(C)ccc2o1)[C@@H]1CCCO1 ZINC000772255925 627692365 /nfs/dbraw/zinc/69/23/65/627692365.db2.gz LNNVYJKJDPXTCC-AAEUAGOBSA-N -1 3 256.305 2.729 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CC(c2ccc(Cl)cc2)C1 ZINC000774412331 627921750 /nfs/dbraw/zinc/92/17/50/627921750.db2.gz SMMSAQKFNPRLGQ-UHFFFAOYSA-N -1 3 274.755 2.841 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCC[C@@H]1c1ccccc1 ZINC000774409754 627922105 /nfs/dbraw/zinc/92/21/05/627922105.db2.gz IQGQUVQZEYQGOZ-CYBMUJFWSA-N -1 3 254.337 2.578 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CC2(CCCC2)Oc2ccccc21 ZINC000774414848 627922638 /nfs/dbraw/zinc/92/26/38/627922638.db2.gz WNVXJQYMVORJDZ-UHFFFAOYSA-N -1 3 296.374 2.754 20 30 CFEDHM C#Cc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000775068019 627990537 /nfs/dbraw/zinc/99/05/37/627990537.db2.gz GLBUVAOFIPVXLY-UHFFFAOYSA-N -1 3 298.298 2.902 20 30 CFEDHM C#C[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000775571737 628039812 /nfs/dbraw/zinc/03/98/12/628039812.db2.gz KTBKVGCHWILMSZ-HERUPUMHSA-N -1 3 281.302 2.502 20 30 CFEDHM N#CCCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775934023 628085500 /nfs/dbraw/zinc/08/55/00/628085500.db2.gz KVVIIPJQUBJDJN-UHFFFAOYSA-N -1 3 253.685 2.896 20 30 CFEDHM COc1cccc(N=NC(C)c2ccc([O-])c(F)c2)n1 ZINC000779816512 628410256 /nfs/dbraw/zinc/41/02/56/628410256.db2.gz CDSVFTVGWIMMOF-UHFFFAOYSA-N -1 3 275.283 2.771 20 30 CFEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc([O-])cc1F ZINC000780246963 628444498 /nfs/dbraw/zinc/44/44/98/628444498.db2.gz NDHWEKAZLIZVPL-LLVKDONJSA-N -1 3 280.343 2.803 20 30 CFEDHM C[C@H](OC(=O)c1cncc([O-])c1)c1cccc(C#N)c1 ZINC000783624473 628728082 /nfs/dbraw/zinc/72/80/82/628728082.db2.gz KYQPMQIBALEEAU-JTQLQIEISA-N -1 3 268.272 2.577 20 30 CFEDHM C[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000783831855 628748367 /nfs/dbraw/zinc/74/83/67/628748367.db2.gz BNDIZGXESJAWOF-OLZOCXBDSA-N -1 3 294.420 2.918 20 30 CFEDHM CC(=NNCCC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000783865514 628751220 /nfs/dbraw/zinc/75/12/20/628751220.db2.gz CXISUKDNLRNBSN-UHFFFAOYSA-N -1 3 296.342 2.577 20 30 CFEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1nnnn1C1CC1 ZINC000790098564 629210906 /nfs/dbraw/zinc/21/09/06/629210906.db2.gz IMLZAJCNJLSJTN-YCAXJWCXSA-N -1 3 291.742 2.547 20 30 CFEDHM [O-]c1cccc(Cl)c1CN=Nc1nc2ccccn2n1 ZINC000790200247 629219769 /nfs/dbraw/zinc/21/97/69/629219769.db2.gz SSLVUQBQNQPKPJ-UHFFFAOYSA-N -1 3 287.710 2.534 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCCC(C)(C)C#N)n1 ZINC000790558282 629247752 /nfs/dbraw/zinc/24/77/52/629247752.db2.gz HWDOHKYQYOJBLZ-UHFFFAOYSA-N -1 3 251.355 2.664 20 30 CFEDHM CN(CCC#N)C(=O)c1cc2sccc2c([O-])c1 ZINC000791338490 629301924 /nfs/dbraw/zinc/30/19/24/629301924.db2.gz 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KXAYWBXBZMYHJP-IDUWFGFVSA-N -1 3 276.380 2.689 20 30 CFEDHM Cn1cc2c(n1)CC/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794959631 629709805 /nfs/dbraw/zinc/70/98/05/629709805.db2.gz BYZMZYPGJRJPEO-SOFGYWHQSA-N -1 3 290.269 2.616 20 30 CFEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])[C@@H]1CCOC1 ZINC000798343690 630180441 /nfs/dbraw/zinc/18/04/41/630180441.db2.gz NYNRJJPSIRQCIG-GUPNDEHBSA-N -1 3 253.729 2.890 20 30 CFEDHM CCN(Cc1cc(=O)oc2c(C)c([O-])ccc12)[C@H](C)C#N ZINC000852638964 634796535 /nfs/dbraw/zinc/79/65/35/634796535.db2.gz HYSDMSIVZDEHTN-SNVBAGLBSA-N -1 3 286.331 2.541 20 30 CFEDHM C=CCO[N-]C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000837043252 630943379 /nfs/dbraw/zinc/94/33/79/630943379.db2.gz MUMRLUJNMDSERF-UHFFFAOYSA-N -1 3 290.146 2.996 20 30 CFEDHM C=CCO[N-]C(=O)CCCOc1ccc(C)c(C)c1 ZINC000837047855 630945086 /nfs/dbraw/zinc/94/50/86/630945086.db2.gz JOTHFJDHLRZUEV-UHFFFAOYSA-N -1 3 263.337 2.696 20 30 CFEDHM C=CCO[N-]C(=O)CCc1c[nH]c2c1cccc2C ZINC000837047857 630945468 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632578433 /nfs/dbraw/zinc/57/84/33/632578433.db2.gz MABVQPKGAYGOAT-OAHLLOKOSA-N -1 3 293.322 2.832 20 30 CFEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccco1 ZINC000845841250 632578439 /nfs/dbraw/zinc/57/84/39/632578439.db2.gz MABVQPKGAYGOAT-OAHLLOKOSA-N -1 3 293.322 2.832 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC000846533606 632723589 /nfs/dbraw/zinc/72/35/89/632723589.db2.gz BXHOMIXZQWPNPV-UHFFFAOYSA-N -1 3 285.290 2.845 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1cnc2ccccc2c1 ZINC000846535316 632724396 /nfs/dbraw/zinc/72/43/96/632724396.db2.gz XSZXZJPFHRXNPB-UHFFFAOYSA-N -1 3 270.332 2.791 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000846537638 632726757 /nfs/dbraw/zinc/72/67/57/632726757.db2.gz MGSKEXPFOTWTBX-UHFFFAOYSA-N -1 3 267.300 2.609 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000846538364 632727766 /nfs/dbraw/zinc/72/77/66/632727766.db2.gz UDUBWEFEZAKBGF-DGCLKSJQSA-N -1 3 263.337 2.960 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000846538984 632728569 /nfs/dbraw/zinc/72/85/69/632728569.db2.gz NOVVRPUMDBLYQC-UHFFFAOYSA-N -1 3 288.347 2.731 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000846540223 632729486 /nfs/dbraw/zinc/72/94/86/632729486.db2.gz XQLYSXLBWNLLEI-UHFFFAOYSA-N -1 3 258.321 2.643 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Br)cc1 ZINC000846541801 632731203 /nfs/dbraw/zinc/73/12/03/632731203.db2.gz NFYUKLOMGYNYTC-SECBINFHSA-N -1 3 284.153 2.614 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1C(F)(F)F ZINC000846544907 632732690 /nfs/dbraw/zinc/73/26/90/632732690.db2.gz LCPGDXUKOPKZSK-VIFPVBQESA-N -1 3 273.254 2.870 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(C)cc1C ZINC000846544190 632732763 /nfs/dbraw/zinc/73/27/63/632732763.db2.gz PETORRYNYWNDQL-CYBMUJFWSA-N -1 3 263.337 2.695 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1OCC ZINC000846544664 632733235 /nfs/dbraw/zinc/73/32/35/632733235.db2.gz XVWCNKYGMXJKTI-LBPRGKRZSA-N -1 3 263.337 2.640 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCC(=O)c1ccc(C)cc1 ZINC000846548439 632736771 /nfs/dbraw/zinc/73/67/71/632736771.db2.gz JUQVMAOSKJMCFJ-ZDUSSCGKSA-N -1 3 275.348 2.970 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000846549024 632737460 /nfs/dbraw/zinc/73/74/60/632737460.db2.gz IOOGEMIPRHPSJW-AWEZNQCLSA-N -1 3 299.374 2.654 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(=O)c1cccc(OC)c1 ZINC000846551766 632739684 /nfs/dbraw/zinc/73/96/84/632739684.db2.gz AGWDFTYNEFUMFE-GFCCVEGCSA-N -1 3 291.347 2.671 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccccc1CC ZINC000846551846 632740151 /nfs/dbraw/zinc/74/01/51/632740151.db2.gz AUCSYUAUZZZDNW-LBPRGKRZSA-N -1 3 263.337 2.640 20 30 CFEDHM Cc1csc(NC([O-])=NO[C@H]2CCCCO2)c1C#N ZINC000847186986 632947992 /nfs/dbraw/zinc/94/79/92/632947992.db2.gz PDTSUMNFTXNFIT-JTQLQIEISA-N -1 3 281.337 2.508 20 30 CFEDHM CCCCCCCCCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848137730 633208198 /nfs/dbraw/zinc/20/81/98/633208198.db2.gz ITZBWMUOHQGVIK-CYBMUJFWSA-N -1 3 284.400 2.624 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cc3n(n2)CCCC3)ccc1[O-] ZINC000848638619 633305719 /nfs/dbraw/zinc/30/57/19/633305719.db2.gz JXJJKEDWUWRMFP-VURMDHGXSA-N -1 3 298.342 2.830 20 30 CFEDHM COc1cc(C(=O)/C=C/c2cc3n(n2)CCCC3)ccc1[O-] ZINC000848638618 633306033 /nfs/dbraw/zinc/30/60/33/633306033.db2.gz JXJJKEDWUWRMFP-SOFGYWHQSA-N -1 3 298.342 2.830 20 30 CFEDHM C#C[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000848924096 633406130 /nfs/dbraw/zinc/40/61/30/633406130.db2.gz NLEYKYNXRANKDL-NSHDSACASA-N -1 3 294.192 3.000 20 30 CFEDHM COC[C@H](CC/N=C/c1cc(Cl)ccc1[O-])OC ZINC000849169404 633577576 /nfs/dbraw/zinc/57/75/76/633577576.db2.gz CHFWPKCQLKZPRT-AAWHYMEISA-N -1 3 271.744 2.516 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000849337309 633621198 /nfs/dbraw/zinc/62/11/98/633621198.db2.gz VFRHNDDXSLIVTP-UHFFFAOYSA-N -1 3 285.413 2.999 20 30 CFEDHM C=C(Cl)CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000849346717 633625150 /nfs/dbraw/zinc/62/51/50/633625150.db2.gz XXVPLIJBXJVLTM-SRVKXCTJSA-N -1 3 257.761 2.704 20 30 CFEDHM Cc1cc(=O)[n-]c(CSCCc2ccc(C#N)cc2)n1 ZINC000853771384 635100688 /nfs/dbraw/zinc/10/06/88/635100688.db2.gz XUNWTYLMGWJXNZ-UHFFFAOYSA-N -1 3 285.372 2.838 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000855027356 635445064 /nfs/dbraw/zinc/44/50/64/635445064.db2.gz GTGVUSANLVUOKT-HTQZYQBOSA-N -1 3 252.141 2.583 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000856029537 635704510 /nfs/dbraw/zinc/70/45/10/635704510.db2.gz RZUFEGFRUOKBNG-UHFFFAOYSA-N -1 3 286.331 2.898 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000856029650 635705575 /nfs/dbraw/zinc/70/55/75/635705575.db2.gz XSSIIUFDDZJQCC-UHFFFAOYSA-N -1 3 293.411 2.712 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000856029634 635705604 /nfs/dbraw/zinc/70/56/04/635705604.db2.gz XENHONRYUWBKJK-UHFFFAOYSA-N -1 3 299.374 2.656 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2cccc(OCC)c12 ZINC000856033729 635708618 /nfs/dbraw/zinc/70/86/18/635708618.db2.gz ORZBWSKNOSIAND-UHFFFAOYSA-N -1 3 288.347 2.733 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc2[nH]ccc2c1 ZINC000856034750 635709949 /nfs/dbraw/zinc/70/99/49/635709949.db2.gz UHMKWFLKJMGERX-UHFFFAOYSA-N -1 3 258.321 2.724 20 30 CFEDHM CC(C)C(=O)NCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000157167620 650213838 /nfs/dbraw/zinc/21/38/38/650213838.db2.gz XVTINDOPLUNRNI-CXUHLZMHSA-N -1 3 282.771 2.627 20 30 CFEDHM C#CCN(CC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857146322 635935627 /nfs/dbraw/zinc/93/56/27/635935627.db2.gz RIVMLHGOFTUXFD-UHFFFAOYSA-N -1 3 271.238 2.506 20 30 CFEDHM C#C[C@H]([N-]c1nc2cccc(F)c2o1)[C@@H]1CCCO1 ZINC000858488815 636270502 /nfs/dbraw/zinc/27/05/02/636270502.db2.gz ZAJHSHCJYWASAC-JQWIXIFHSA-N -1 3 260.268 2.560 20 30 CFEDHM C#CC[C@H](COC)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000858859088 636362023 /nfs/dbraw/zinc/36/20/23/636362023.db2.gz AAFAULVTQHRFPX-GFCCVEGCSA-N -1 3 291.738 2.840 20 30 CFEDHM CCCCCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000862356047 637330737 /nfs/dbraw/zinc/33/07/37/637330737.db2.gz TYJNRBBOIZAHDT-UHFFFAOYSA-N -1 3 277.368 2.760 20 30 CFEDHM C=CC(C)(C)CCNC(=O)c1nnc2ccccc2c1[O-] ZINC000862396942 637356215 /nfs/dbraw/zinc/35/62/15/637356215.db2.gz FNHHPKUHTWOYCY-UHFFFAOYSA-N -1 3 285.347 2.668 20 30 CFEDHM N#Cc1cc([O-])ccc1-c1ccc(NCCCCO)nc1 ZINC000863722678 637759306 /nfs/dbraw/zinc/75/93/06/637759306.db2.gz IZYFOXDZJZWSBH-UHFFFAOYSA-N -1 3 283.331 2.510 20 30 CFEDHM CO[C@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000864346634 637946703 /nfs/dbraw/zinc/94/67/03/637946703.db2.gz YIZLQKXDRKPCCI-UCENCCDJSA-N -1 3 284.153 2.751 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCC23CC3)c1[O-] ZINC000864347050 637948030 /nfs/dbraw/zinc/94/80/30/637948030.db2.gz JEAAZJSRRROCPE-YRUBURHZSA-N -1 3 274.364 2.587 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000869154569 639050715 /nfs/dbraw/zinc/05/07/15/639050715.db2.gz VPLLVXFCJNWNET-BBBLOLIVSA-N -1 3 265.275 2.977 20 30 CFEDHM C#CCCCCCC(=O)[N-]OCCCC(F)(F)F ZINC000871214962 641251073 /nfs/dbraw/zinc/25/10/73/641251073.db2.gz VZZJLQPHLQYDDN-UHFFFAOYSA-N -1 3 265.275 2.960 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cccc(Cl)n1 ZINC000194696557 650724548 /nfs/dbraw/zinc/72/45/48/650724548.db2.gz XIRCAPQLEDBWNF-NSHDSACASA-N -1 3 299.717 2.696 20 30 CFEDHM N#CCN(Cc1nnc(-c2ccccc2[O-])o1)C1CCCC1 ZINC000878120671 643747308 /nfs/dbraw/zinc/74/73/08/643747308.db2.gz OJKIIXBIYMSKAD-UHFFFAOYSA-N -1 3 298.346 2.710 20 30 CFEDHM C=CC[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878441467 643897289 /nfs/dbraw/zinc/89/72/89/643897289.db2.gz AENRTFHCDGYPBS-VIFPVBQESA-N -1 3 263.366 2.793 20 30 CFEDHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(C#N)cc1 ZINC000800207902 646188583 /nfs/dbraw/zinc/18/85/83/646188583.db2.gz IMXQZNXQPFJRKP-JTQLQIEISA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(C#N)cc1 ZINC000800207902 646188592 /nfs/dbraw/zinc/18/85/92/646188592.db2.gz IMXQZNXQPFJRKP-JTQLQIEISA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(C#N)cc1 ZINC000800207902 646188597 /nfs/dbraw/zinc/18/85/97/646188597.db2.gz IMXQZNXQPFJRKP-JTQLQIEISA-N -1 3 292.298 2.748 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC[C@H]2CCCC2(F)F)c1[O-] ZINC000887268781 647255849 /nfs/dbraw/zinc/25/58/49/647255849.db2.gz UVZATYTYVHMAAU-DREQZYJFSA-N -1 3 298.333 2.832 20 30 CFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(Cl)c2)c1[O-] ZINC000005110618 647844586 /nfs/dbraw/zinc/84/45/86/647844586.db2.gz JVTDUDZJZJRZRZ-CAOOACKPSA-N -1 3 290.750 2.860 20 30 CFEDHM CC[C@@H](NCc1nccs1)c1cccc(C#N)c1[O-] ZINC000924731446 648037623 /nfs/dbraw/zinc/03/76/23/648037623.db2.gz YMCBNNGVUGVPMD-GFCCVEGCSA-N -1 3 273.361 2.961 20 30 CFEDHM C=C1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000724446904 770885635 /nfs/dbraw/zinc/88/56/35/770885635.db2.gz NUCBUHDVJNJLFE-UHFFFAOYSA-N -1 3 263.297 2.854 20 30 CFEDHM COC(=O)c1scc(C#N)c1Nc1ccc(F)cc1[O-] ZINC001210015892 770188538 /nfs/dbraw/zinc/18/85/38/770188538.db2.gz BNNGLLYTYYWQOA-UHFFFAOYSA-N -1 3 292.291 2.995 20 30 CFEDHM Cc1nc(Nc2cccc(F)c2[O-])c(C#N)cc1C#N ZINC001210196611 770229183 /nfs/dbraw/zinc/22/91/83/770229183.db2.gz XYUSVKLJFHHFOY-UHFFFAOYSA-N -1 3 268.251 2.722 20 30 CFEDHM C=CCCC[C@@H](C)NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000588384545 770462517 /nfs/dbraw/zinc/46/25/17/770462517.db2.gz CBDRAGNDCJTMNJ-QJMZJAKPSA-N -1 3 284.359 2.632 20 30 CFEDHM N#Cc1cnoc1[N-]c1ccc(Cl)c2c[nH]nc21 ZINC001216056307 770671439 /nfs/dbraw/zinc/67/14/39/770671439.db2.gz ZNGZPTHTJNEINW-UHFFFAOYSA-N -1 3 259.656 2.820 20 30 CFEDHM COc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000588534354 770946836 /nfs/dbraw/zinc/94/68/36/770946836.db2.gz AEKMCFCBHCHWOE-UHFFFAOYSA-N -1 3 277.251 2.702 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ccc2c([O-])coc2c1 ZINC001225340301 775418423 /nfs/dbraw/zinc/41/84/23/775418423.db2.gz HQKHKSRBBBDXIR-NSHDSACASA-N -1 3 274.392 2.910 20 30 CFEDHM CCCCOC[C@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470122 775468359 /nfs/dbraw/zinc/46/83/59/775468359.db2.gz RDEVCIFCGXUIFC-NSHDSACASA-N -1 3 264.325 2.551 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](c2cccnc2)C2CC2)[n-]1 ZINC001225470733 775470304 /nfs/dbraw/zinc/47/03/04/775470304.db2.gz ZOHZFXZBVAUUOH-OAHLLOKOSA-N -1 3 281.315 2.892 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663359 775547917 /nfs/dbraw/zinc/54/79/17/775547917.db2.gz DPYITBLDXQXDTE-SSDOTTSWSA-N -1 3 272.326 2.561 20 30 CFEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc[n-]c(=O)c2C)O1 ZINC001226077628 775690271 /nfs/dbraw/zinc/69/02/71/775690271.db2.gz SBASLPGJKOKFQP-IAQYHMDHSA-N -1 3 278.352 2.772 20 30 CFEDHM CCC[C@@H](CC(=O)OC)Oc1cccc(/C=N/[O-])c1 ZINC001226114215 775703017 /nfs/dbraw/zinc/70/30/17/775703017.db2.gz HUQGOPKWFOCGKV-XBUHWIKASA-N -1 3 265.309 2.605 20 30 CFEDHM COC(=O)C[C@H]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113853 775704024 /nfs/dbraw/zinc/70/40/24/775704024.db2.gz AQKIITLJZAYKLR-VJXRCLRWSA-N -1 3 291.347 2.995 20 30 CFEDHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)[C@H](C)S ZINC001226119350 775706867 /nfs/dbraw/zinc/70/68/67/775706867.db2.gz NFKBUHSYRMMPAW-RQJHMYQMSA-N -1 3 256.396 2.728 20 30 CFEDHM C#C[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)[C@@H](CC)CCCC ZINC001226237804 775746945 /nfs/dbraw/zinc/74/69/45/775746945.db2.gz NMDQKJXRECQZFI-GXTWGEPZSA-N -1 3 290.363 2.982 20 30 CFEDHM CC(C)CCC[C@@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226255289 775756955 /nfs/dbraw/zinc/75/69/55/775756955.db2.gz HLGUFTWAKYYFSI-BTAWCLGRSA-N -1 3 251.330 2.878 20 30 CFEDHM C=CC[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226254609 775757440 /nfs/dbraw/zinc/75/74/40/775757440.db2.gz AVXDKOUWSAPBMW-SWEABUAFSA-N -1 3 269.304 2.981 20 30 CFEDHM C=C[C@@]1(C)CC[C@@H](Oc2nccc(/C=N/[O-])n2)C(C)(C)O1 ZINC001226255653 775757673 /nfs/dbraw/zinc/75/76/73/775757673.db2.gz LDGKBVZXCMNTQW-DZVRYTODSA-N -1 3 291.351 2.566 20 30 CFEDHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)[C@H](C)S)cc12 ZINC001226533103 775864235 /nfs/dbraw/zinc/86/42/35/775864235.db2.gz YZZVLYMLTXAGJB-BDAKNGLRSA-N -1 3 280.345 2.893 20 30 CFEDHM C#C[C@@H](Oc1cc(C)nc(=S)[n-]1)c1ccccc1 ZINC001226799318 775969955 /nfs/dbraw/zinc/96/99/55/775969955.db2.gz VDNHGTPYVVUBOS-GFCCVEGCSA-N -1 3 256.330 2.827 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@@H]2Cc3ccccc3O2)c1 ZINC001227346167 776181568 /nfs/dbraw/zinc/18/15/68/776181568.db2.gz SAPGEYLYZRUVFD-ZDUSSCGKSA-N -1 3 267.284 2.646 20 30 CFEDHM C#C[C@@H](CCC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586465 776234597 /nfs/dbraw/zinc/23/45/97/776234597.db2.gz MHMVJHYXSLSACL-VIFPVBQESA-N -1 3 259.227 2.987 20 30 CFEDHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)[C@H](C)S ZINC001227586241 776235664 /nfs/dbraw/zinc/23/56/64/776235664.db2.gz KEQUXKNLXKJKJL-RITPCOANSA-N -1 3 267.272 2.892 20 30 CFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cccs1 ZINC000125135364 776253528 /nfs/dbraw/zinc/25/35/28/776253528.db2.gz NHMHHABUKOEQMQ-SYTKJHMZSA-N -1 3 297.339 2.504 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820323 776299095 /nfs/dbraw/zinc/29/90/95/776299095.db2.gz RMMQLBDGAZVEIH-NSHDSACASA-N -1 3 277.320 2.535 20 30 CFEDHM C=C(C)C[C@H](Oc1nc(C(=O)OC)ccc1[O-])C(=C)C ZINC001227825066 776300681 /nfs/dbraw/zinc/30/06/81/776300681.db2.gz LQENQXSBZSOBRT-ZDUSSCGKSA-N -1 3 277.320 2.864 20 30 CFEDHM C#CC[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623170 776544278 /nfs/dbraw/zinc/54/42/78/776544278.db2.gz PKLQXUDXFJOHLR-JTQLQIEISA-N -1 3 258.273 2.598 20 30 CFEDHM Cc1cc2[n-]c(O[C@H](C)[C@H](C)S)nc2cc1[N+](=O)[O-] ZINC001228676315 776563858 /nfs/dbraw/zinc/56/38/58/776563858.db2.gz ZOVAWYVVEDJVFH-SFYZADRCSA-N -1 3 281.337 2.865 20 30 CFEDHM C=CCC(CC=C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686792 776567770 /nfs/dbraw/zinc/56/77/70/776567770.db2.gz RDZCUQJPXWEUJI-UHFFFAOYSA-N -1 3 264.281 2.903 20 30 CFEDHM C=CCC[C@H](CC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229343395 776784641 /nfs/dbraw/zinc/78/46/41/776784641.db2.gz XWKDDMMKGHWEDQ-LBPRGKRZSA-N -1 3 288.351 2.999 20 30 CFEDHM C=CCC[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229343395 776784648 /nfs/dbraw/zinc/78/46/48/776784648.db2.gz XWKDDMMKGHWEDQ-LBPRGKRZSA-N -1 3 288.351 2.999 20 30 CFEDHM C#C[C@@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229567692 776848962 /nfs/dbraw/zinc/84/89/62/776848962.db2.gz DZPSCBKHKFHZDI-ZETCQYMHSA-N -1 3 250.348 2.771 20 30 CFEDHM C#C[C@H](Oc1nc(C)[n-]c(=O)c1C)c1ccccc1 ZINC001229686397 776873095 /nfs/dbraw/zinc/87/30/95/776873095.db2.gz QYASLDBOUGOBQQ-ZDUSSCGKSA-N -1 3 254.289 2.552 20 30 CFEDHM Cc1nc(O[C@@H](C)c2ccccc2C#N)c(C)c(=O)[n-]1 ZINC001229687381 776873149 /nfs/dbraw/zinc/87/31/49/776873149.db2.gz FGLDRXWHOZLXJV-JTQLQIEISA-N -1 3 269.304 2.811 20 30 CFEDHM Cc1nc(O[C@@H](C#N)c2ccccc2F)c(C)c(=O)[n-]1 ZINC001229692888 776873658 /nfs/dbraw/zinc/87/36/58/776873658.db2.gz WAQGUCGSCKCKHW-LBPRGKRZSA-N -1 3 273.267 2.582 20 30 CFEDHM C/C(=N\[O-])c1ccccc1OC1CCN(CCF)CC1 ZINC001229736975 776883416 /nfs/dbraw/zinc/88/34/16/776883416.db2.gz MWEXKCDRBCVQFN-SFQUDFHCSA-N -1 3 280.343 2.698 20 30 CFEDHM N#C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC001229950476 776923317 /nfs/dbraw/zinc/92/33/17/776923317.db2.gz LFCGVVAMWYPTGU-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC001229950476 776923319 /nfs/dbraw/zinc/92/33/19/776923319.db2.gz LFCGVVAMWYPTGU-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229955055 776925136 /nfs/dbraw/zinc/92/51/36/776925136.db2.gz RVZFOCLLLWZFKL-AWEZNQCLSA-N -1 3 277.287 2.510 20 30 CFEDHM N#C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229955055 776925146 /nfs/dbraw/zinc/92/51/46/776925146.db2.gz RVZFOCLLLWZFKL-AWEZNQCLSA-N -1 3 277.287 2.510 20 30 CFEDHM C=CCC[C@H](CC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792739 777065665 /nfs/dbraw/zinc/06/56/65/777065665.db2.gz UDGKXXOTFHEFED-VIFPVBQESA-N -1 3 266.366 2.954 20 30 CFEDHM C=CCC[C@@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077811 777134280 /nfs/dbraw/zinc/13/42/80/777134280.db2.gz WTJDJCUQGKJDFL-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453037 777223548 /nfs/dbraw/zinc/22/35/48/777223548.db2.gz ALIDLGMZLZIFKS-UHFFFAOYSA-N -1 3 296.326 2.594 20 30 CFEDHM C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453037 777223554 /nfs/dbraw/zinc/22/35/54/777223554.db2.gz ALIDLGMZLZIFKS-UHFFFAOYSA-N -1 3 296.326 2.594 20 30 CFEDHM CN(CCC#N)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231524641 777252852 /nfs/dbraw/zinc/25/28/52/777252852.db2.gz SIUHWBMHCSOEOP-UHFFFAOYSA-N -1 3 258.243 2.756 20 30 CFEDHM CC[C@H](C)C[C@H](CC)Oc1nccc(/C=N/[O-])n1 ZINC001226255457 777489182 /nfs/dbraw/zinc/48/91/82/777489182.db2.gz JJSLLESNSRLWPC-PZGJRYIUSA-N -1 3 251.330 2.878 20 30 CFEDHM COc1cc([O-])c(CN2CCC[C@@H](C#N)C2)cc1Cl ZINC001232269785 777500985 /nfs/dbraw/zinc/50/09/85/777500985.db2.gz KXBIJJWIWGZKHU-JTQLQIEISA-N -1 3 280.755 2.790 20 30 CFEDHM Cc1ncccc1CN(C)Cc1cc(C#N)ccc1[O-] ZINC001232678344 777638817 /nfs/dbraw/zinc/63/88/17/777638817.db2.gz VXCUWOHIKHMHPH-UHFFFAOYSA-N -1 3 267.332 2.599 20 30 CFEDHM CC[N@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1[O-] ZINC001232678858 777640723 /nfs/dbraw/zinc/64/07/23/777640723.db2.gz RLKCCOWLEQAEFD-UHFFFAOYSA-N -1 3 282.343 2.992 20 30 CFEDHM CC[N@@H+](Cc1ccccc1[O-])Cc1cc(C#N)ccc1[O-] ZINC001232678858 777640724 /nfs/dbraw/zinc/64/07/24/777640724.db2.gz RLKCCOWLEQAEFD-UHFFFAOYSA-N -1 3 282.343 2.992 20 30 CFEDHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1C#N ZINC001226944220 777706028 /nfs/dbraw/zinc/70/60/28/777706028.db2.gz XTEBNUHNASQINQ-SECBINFHSA-N -1 3 257.318 2.777 20 30 CFEDHM CN(Cc1cccc(C#N)c1)Cc1cc(Cl)ncc1[O-] ZINC001233038405 777771617 /nfs/dbraw/zinc/77/16/17/777771617.db2.gz UKNZRIZEKTUBSR-UHFFFAOYSA-N -1 3 287.750 2.944 20 30 CFEDHM CC(C)(C)c1noc([N-]c2cnc3ccnn3c2)c1C#N ZINC001204786070 777864681 /nfs/dbraw/zinc/86/46/81/777864681.db2.gz ITYCINRCRMMGRG-UHFFFAOYSA-N -1 3 282.307 2.630 20 30 CFEDHM COc1ccc2c(c1)CN(Cc1ccc(C#N)cc1[O-])C2 ZINC001233386330 777927322 /nfs/dbraw/zinc/92/73/22/777927322.db2.gz PMROVVOFQMBIQP-UHFFFAOYSA-N -1 3 280.327 2.788 20 30 CFEDHM N#Cc1ccc(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001233383418 777927935 /nfs/dbraw/zinc/92/79/35/777927935.db2.gz HJKNPOJVLDXKIJ-HUUCEWRRSA-N -1 3 284.359 2.597 20 30 CFEDHM N#C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454776 777959527 /nfs/dbraw/zinc/95/95/27/777959527.db2.gz JWORVBMNTJPNFP-VIFPVBQESA-N -1 3 270.254 2.756 20 30 CFEDHM C[C@H](C#N)N(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455804 777959628 /nfs/dbraw/zinc/95/96/28/777959628.db2.gz ZGHBLGSJEZXLGY-MRVPVSSYSA-N -1 3 258.243 2.755 20 30 CFEDHM CCCCOC(=O)[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233800385 778080878 /nfs/dbraw/zinc/08/08/78/778080878.db2.gz PNJMXHRCZAQALC-HPUUJOOBSA-N -1 3 295.335 2.614 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H]1CCC=CO1 ZINC001233799516 778080914 /nfs/dbraw/zinc/08/09/14/778080914.db2.gz KJNPYDJVDLFCPL-DGGAMASNSA-N -1 3 263.293 2.575 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1cn(C)nc1C ZINC001233800041 778081230 /nfs/dbraw/zinc/08/12/30/778081230.db2.gz OEERQGSRLMLDOC-AXLKIAQESA-N -1 3 289.335 2.685 20 30 CFEDHM COC(=O)C[C@H]1CCC[C@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234143785 778174181 /nfs/dbraw/zinc/17/41/81/778174181.db2.gz GRFLTVCLLNYWJQ-FZMZJTMJSA-N -1 3 289.331 2.765 20 30 CFEDHM N#Cc1cc([O-])cc(O[C@@H]2CCc3cccnc32)c1 ZINC001234143533 778174605 /nfs/dbraw/zinc/17/46/05/778174605.db2.gz DFQJZURSPKXMFV-CQSZACIVSA-N -1 3 252.273 2.725 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CCC(F)(F)C3)c12 ZINC001234512778 778241258 /nfs/dbraw/zinc/24/12/58/778241258.db2.gz DWTZYYHGCCJKED-VIFPVBQESA-N -1 3 291.257 2.774 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234690175 778288393 /nfs/dbraw/zinc/28/83/93/778288393.db2.gz ZQDRWURKLZXDRH-DGCLKSJQSA-N -1 3 281.315 2.920 20 30 CFEDHM Cc1cnc(Nc2ccc([O-])c(F)c2F)c(C#N)c1 ZINC001212003122 778322559 /nfs/dbraw/zinc/32/25/59/778322559.db2.gz QGWLWEDRUCFBLY-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM N#C[C@H]1CN(Cc2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001234997988 778348833 /nfs/dbraw/zinc/34/88/33/778348833.db2.gz GYVZALAXVIFXGE-INIZCTEOSA-N -1 3 294.354 2.784 20 30 CFEDHM Cc1ccc(-c2ccc(F)c(C#N)c2)cc1-c1nnn[n-]1 ZINC001235897755 778597275 /nfs/dbraw/zinc/59/72/75/778597275.db2.gz MOCFUFXFMSTQPR-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(F)c(C#N)c2)cc1-c1nn[n-]n1 ZINC001235897755 778597278 /nfs/dbraw/zinc/59/72/78/778597278.db2.gz MOCFUFXFMSTQPR-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CN(C)/C=N/c1ccc(-c2cncc([O-])c2)cc1C#N ZINC001236581955 778885189 /nfs/dbraw/zinc/88/51/89/778885189.db2.gz DXGWMKSIHHOPEX-VCHYOVAHSA-N -1 3 266.304 2.547 20 30 CFEDHM CCn1cc(-c2cncc([O-])c2)c2sc(C#N)cc2c1=O ZINC001236584622 778885639 /nfs/dbraw/zinc/88/56/39/778885639.db2.gz ISOWZOFMEKCVOA-UHFFFAOYSA-N -1 3 297.339 2.722 20 30 CFEDHM CC1(C#N)CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236691671 778912491 /nfs/dbraw/zinc/91/24/91/778912491.db2.gz KAXWZKOKVHHDSC-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM N#CCCN(Cc1cccnc1)Cc1ccc(F)c([O-])c1 ZINC001236701009 778913748 /nfs/dbraw/zinc/91/37/48/778913748.db2.gz AJFSDZOEVXGLDI-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM COc1cc([O-])c(CN(C)CCC#N)c(Br)c1 ZINC001237063868 779002480 /nfs/dbraw/zinc/00/24/80/779002480.db2.gz VDNITIWTXAHNTA-UHFFFAOYSA-N -1 3 299.168 2.509 20 30 CFEDHM CN(C)Cc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176400137 779123894 /nfs/dbraw/zinc/12/38/94/779123894.db2.gz NOWQBXIUGDEBGS-UHFFFAOYSA-N -1 3 295.342 2.578 20 30 CFEDHM CC(C)Oc1cncc(C([O-])=C(C#N)c2cccc(F)n2)c1 ZINC001122717925 779286819 /nfs/dbraw/zinc/28/68/19/779286819.db2.gz PXNTZJSKIXTOOV-CYBMUJFWSA-N -1 3 299.305 2.893 20 30 CFEDHM CS(=O)(=O)c1ccc(-c2cccc(/C=N/[O-])c2)cc1 ZINC001239701673 779717174 /nfs/dbraw/zinc/71/71/74/779717174.db2.gz HESWYPXZYDBJSM-XNTDXEJSSA-N -1 3 275.329 2.565 20 30 CFEDHM COC(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001239732373 779736452 /nfs/dbraw/zinc/73/64/52/779736452.db2.gz RYBDZKOHCZNNNT-MHWRWJLKSA-N -1 3 255.273 2.948 20 30 CFEDHM [O-]N=Cc1ccccc1-c1cnn(C2CCOCC2)c1 ZINC001240094911 779942669 /nfs/dbraw/zinc/94/26/69/779942669.db2.gz UMRDAHIMXNFEKB-UHFFFAOYSA-N -1 3 271.320 2.710 20 30 CFEDHM [O-]/N=C/c1ccc(F)c(-c2ccn3ccnc3c2)c1 ZINC001240511927 780217097 /nfs/dbraw/zinc/21/70/97/780217097.db2.gz LZRLZIBAALCIFB-RQZCQDPDSA-N -1 3 255.252 2.949 20 30 CFEDHM [O-]/N=C1/CCc2cc(-c3cnn([C@@H]4CCOC4)c3)ccc21 ZINC001240639708 780316575 /nfs/dbraw/zinc/31/65/75/780316575.db2.gz CRADMWFYRZOUMJ-OHTQGHCMSA-N -1 3 283.331 2.636 20 30 CFEDHM [O-]/N=C/c1ccc(-c2cnc3n[nH]cc3c2)cc1F ZINC001241426523 780873243 /nfs/dbraw/zinc/87/32/43/780873243.db2.gz GNWDJQJWKFZZFB-REZTVBANSA-N -1 3 256.240 2.572 20 30 CFEDHM C=CCc1cc(C)cnc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241442211 780890224 /nfs/dbraw/zinc/89/02/24/780890224.db2.gz DZUCJDKCPHSBLA-UHFFFAOYSA-N -1 3 277.331 2.966 20 30 CFEDHM C=CCc1cc(C)cnc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241442211 780890228 /nfs/dbraw/zinc/89/02/28/780890228.db2.gz DZUCJDKCPHSBLA-UHFFFAOYSA-N -1 3 277.331 2.966 20 30 CFEDHM CC(C)(C#N)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001241444371 780895072 /nfs/dbraw/zinc/89/50/72/780895072.db2.gz ADQRAPPHMXUJEX-UHFFFAOYSA-N -1 3 290.330 2.730 20 30 CFEDHM CC(C)(C#N)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001241444371 780895080 /nfs/dbraw/zinc/89/50/80/780895080.db2.gz ADQRAPPHMXUJEX-UHFFFAOYSA-N -1 3 290.330 2.730 20 30 CFEDHM CC[C@H](CC#N)NCc1c([O-])cccc1Br ZINC000706847327 781206262 /nfs/dbraw/zinc/20/62/62/781206262.db2.gz WZDHJTUIPTVTCZ-SECBINFHSA-N -1 3 283.169 2.937 20 30 CFEDHM CC(C)(C#N)CNCc1c([O-])cccc1Br ZINC000706846156 781209283 /nfs/dbraw/zinc/20/92/83/781209283.db2.gz CCBGZRXUJLOWDQ-UHFFFAOYSA-N -1 3 283.169 2.794 20 30 CFEDHM C#Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001242294827 781374433 /nfs/dbraw/zinc/37/44/33/781374433.db2.gz NTMVNLAJNCOPHA-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001242294827 781374445 /nfs/dbraw/zinc/37/44/45/781374445.db2.gz NTMVNLAJNCOPHA-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM COc1cccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1C#N ZINC001242301385 781382500 /nfs/dbraw/zinc/38/25/00/781382500.db2.gz KXOHYGAZVOOTDX-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1C#N ZINC001242301385 781382505 /nfs/dbraw/zinc/38/25/05/781382505.db2.gz KXOHYGAZVOOTDX-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM CC1(C)CC(=O)C=C(c2cccc(-c3nnn[n-]3)c2)C1 ZINC001242316796 781394767 /nfs/dbraw/zinc/39/47/67/781394767.db2.gz ZJPLYCITWFCLAN-UHFFFAOYSA-N -1 3 268.320 2.639 20 30 CFEDHM CC1(C)CC(=O)C=C(c2cccc(-c3nn[n-]n3)c2)C1 ZINC001242316796 781394773 /nfs/dbraw/zinc/39/47/73/781394773.db2.gz ZJPLYCITWFCLAN-UHFFFAOYSA-N -1 3 268.320 2.639 20 30 CFEDHM Cc1cccc(-c2cc(C#N)nc(C3CC3)n2)c1[O-] ZINC001242345059 781417791 /nfs/dbraw/zinc/41/77/91/781417791.db2.gz IKNQLCZEVJCHIY-UHFFFAOYSA-N -1 3 251.289 2.907 20 30 CFEDHM [O-]N=Cc1ccccc1-c1cccc2c1OCCO2 ZINC001242470835 781527225 /nfs/dbraw/zinc/52/72/25/781527225.db2.gz RCXPDBIEMQRSBV-UHFFFAOYSA-N -1 3 255.273 2.933 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001242477657 781531479 /nfs/dbraw/zinc/53/14/79/781531479.db2.gz FVSDODPLIAQASS-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001242477657 781531486 /nfs/dbraw/zinc/53/14/86/781531486.db2.gz FVSDODPLIAQASS-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001242480070 781533551 /nfs/dbraw/zinc/53/35/51/781533551.db2.gz YKUHDUFJKZQGFI-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001242480070 781533558 /nfs/dbraw/zinc/53/35/58/781533558.db2.gz YKUHDUFJKZQGFI-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1 ZINC001242592674 781625294 /nfs/dbraw/zinc/62/52/94/781625294.db2.gz ROBLDJRCSQHURM-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1 ZINC001242592674 781625296 /nfs/dbraw/zinc/62/52/96/781625296.db2.gz ROBLDJRCSQHURM-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM C/C(=N\[O-])c1ccc(-c2cnc(N3CCC3)nc2)cc1 ZINC001242705737 781708728 /nfs/dbraw/zinc/70/87/28/781708728.db2.gz ONVMNYQJIJWMLY-WOJGMQOQSA-N -1 3 268.320 2.552 20 30 CFEDHM Cc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1C#N ZINC001242769511 781753253 /nfs/dbraw/zinc/75/32/53/781753253.db2.gz XZQXCKFOECSGID-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1C#N ZINC001242769511 781753257 /nfs/dbraw/zinc/75/32/57/781753257.db2.gz XZQXCKFOECSGID-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CC1 ZINC000594862752 349490916 /nfs/dbraw/zinc/49/09/16/349490916.db2.gz PRDGMHCRMZAZAD-CQSZACIVSA-N -1 3 296.367 2.554 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC1 ZINC000124625686 187146303 /nfs/dbraw/zinc/14/63/03/187146303.db2.gz BDKABBUTLIGDMI-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM CC(C)c1ccc(C(=O)N(C)C[C@H](C)C#N)c([O-])c1 ZINC000068081226 346834024 /nfs/dbraw/zinc/83/40/24/346834024.db2.gz QBOMUEPOPJUSOY-LLVKDONJSA-N -1 3 260.337 2.747 20 30 CFEDHM CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H](C)C#N ZINC000595816404 349740195 /nfs/dbraw/zinc/74/01/95/349740195.db2.gz AFAUJGKQMQRFLL-SNVBAGLBSA-N -1 3 296.330 2.816 20 30 CFEDHM N#Cc1[n-]c(=NCCC[C@@H]2CCCCO2)sc1Cl ZINC000596192690 349823265 /nfs/dbraw/zinc/82/32/65/349823265.db2.gz UNXLBIWQSLCQPQ-VIFPVBQESA-N -1 3 285.800 2.851 20 30 CFEDHM Cc1nsc([N-]C(=O)c2ccc(F)cc2F)c1C#N ZINC000334618516 282440873 /nfs/dbraw/zinc/44/08/73/282440873.db2.gz QHFSGONIDKFBTC-UHFFFAOYSA-N -1 3 279.271 2.854 20 30 CFEDHM Cc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000027082764 346268128 /nfs/dbraw/zinc/26/81/28/346268128.db2.gz WNHAJFPHKARZHL-RQZCQDPDSA-N -1 3 270.332 2.515 20 30 CFEDHM N#Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000596655190 349970342 /nfs/dbraw/zinc/97/03/42/349970342.db2.gz XSAIRWXLHANGLS-UHFFFAOYSA-N -1 3 278.377 2.697 20 30 CFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000050336841 346493282 /nfs/dbraw/zinc/49/32/82/346493282.db2.gz UPMUWFKHQPWEDY-SSDOTTSWSA-N -1 3 293.175 2.574 20 30 CFEDHM CC(C)(C)c1cc(C([O-])=C(C#N)c2ccccn2)n[nH]1 ZINC000076321542 347134019 /nfs/dbraw/zinc/13/40/19/347134019.db2.gz MILUIPTZJGPBQW-SNVBAGLBSA-N -1 3 268.320 2.592 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2cscn2)s1 ZINC000102997799 185802855 /nfs/dbraw/zinc/80/28/55/185802855.db2.gz FJNVKTFRSDJMPP-UHFFFAOYSA-N -1 3 263.347 2.891 20 30 CFEDHM C=CC1CCN(C(=O)c2cc(CC)ccc2[O-])CC1 ZINC000111632218 347755255 /nfs/dbraw/zinc/75/52/55/347755255.db2.gz HFHFDBLUBPUDDQ-UHFFFAOYSA-N -1 3 259.349 2.993 20 30 CFEDHM O=C(N[O-])C(F)(F)c1ccc(Cl)c(Cl)c1 ZINC000671995806 539572719 /nfs/dbraw/zinc/57/27/19/539572719.db2.gz LEKNETRNHZUJME-UHFFFAOYSA-N -1 3 256.035 2.591 20 30 CFEDHM O=C(N[O-])C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000671996622 539577091 /nfs/dbraw/zinc/57/70/91/539577091.db2.gz VCOWUVABTXSKSF-UHFFFAOYSA-N -1 3 259.227 2.534 20 30 CFEDHM Cc1cc(C)c(C[C@@H](C(=O)N[O-])C(F)(F)F)c(C)c1 ZINC000671996724 539577181 /nfs/dbraw/zinc/57/71/81/539577181.db2.gz VHSKKYMWFGENOC-NSHDSACASA-N -1 3 275.270 2.838 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCC1 ZINC000157700766 348001859 /nfs/dbraw/zinc/00/18/59/348001859.db2.gz JUTQTLYADGIOBC-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM CCc1noc2ncc(C([O-])=C(C#N)c3ccccn3)cc12 ZINC000171266006 348072397 /nfs/dbraw/zinc/07/23/97/348072397.db2.gz ZOWUAXMSIMUPRY-GFCCVEGCSA-N -1 3 292.298 2.670 20 30 CFEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000292509341 348357336 /nfs/dbraw/zinc/35/73/36/348357336.db2.gz PRUMEIMCKYPCHA-KRWDZBQOSA-N -1 3 280.327 2.967 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000324077882 348439180 /nfs/dbraw/zinc/43/91/80/348439180.db2.gz HGJDIGGLLHPRJP-LBPRGKRZSA-N -1 3 298.795 2.679 20 30 CFEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(SC)ccc1[O-] ZINC000596823013 349993847 /nfs/dbraw/zinc/99/38/47/349993847.db2.gz MUQPRDADRQJSFI-JTQLQIEISA-N -1 3 278.377 2.736 20 30 CFEDHM C=CCN=c1[n-]nc(SCCCN2CCCCC2)s1 ZINC000341549198 348456933 /nfs/dbraw/zinc/45/69/33/348456933.db2.gz VWCOUNBBTJSYIT-UHFFFAOYSA-N -1 3 298.481 2.526 20 30 CFEDHM Cc1cccc2cc(S(=O)(=O)[N-][C@H](C)CC#N)sc21 ZINC000592022274 349075764 /nfs/dbraw/zinc/07/57/64/349075764.db2.gz ZWBRTELNCRKKEO-SNVBAGLBSA-N -1 3 294.401 2.790 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)[C@H]1C ZINC000593524382 349290052 /nfs/dbraw/zinc/29/00/52/349290052.db2.gz GXBQAQPXRHSXID-OUAUKWLOSA-N -1 3 298.433 2.723 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000593572415 349293501 /nfs/dbraw/zinc/29/35/01/349293501.db2.gz NQFLHWUHKFVLPA-LBPRGKRZSA-N -1 3 296.417 2.621 20 30 CFEDHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593604575 349297492 /nfs/dbraw/zinc/29/74/92/349297492.db2.gz BFVDGTGNQIWEEQ-VIFPVBQESA-N -1 3 286.422 2.723 20 30 CFEDHM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000593627991 349302261 /nfs/dbraw/zinc/30/22/61/349302261.db2.gz NCGXTZVRHRPFHB-GXSJLCMTSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@H](C#N)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000593730427 349315599 /nfs/dbraw/zinc/31/55/99/349315599.db2.gz INCZVVDCEQNGMY-MRVPVSSYSA-N -1 3 297.152 2.951 20 30 CFEDHM N#CCCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000594332341 349408215 /nfs/dbraw/zinc/40/82/15/349408215.db2.gz CBRDWGGSRQXJGV-UHFFFAOYSA-N -1 3 258.321 2.755 20 30 CFEDHM C[C@H](CC#N)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000597544727 350110060 /nfs/dbraw/zinc/11/00/60/350110060.db2.gz JIZFPKIMJNYTGX-SSDOTTSWSA-N -1 3 288.225 2.779 20 30 CFEDHM Cc1cc(C(=O)NCC2(C#N)CCCCC2)ccc1[O-] ZINC000598311504 350232519 /nfs/dbraw/zinc/23/25/19/350232519.db2.gz QKUCWTNMFPZYHS-UHFFFAOYSA-N -1 3 272.348 2.905 20 30 CFEDHM C[C@@H](C#N)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000598769092 350326366 /nfs/dbraw/zinc/32/63/66/350326366.db2.gz CVKONXSSUVQAPO-QMMMGPOBSA-N -1 3 298.264 2.928 20 30 CFEDHM N#CC1(C(=O)Nc2cccc([O-])c2F)CC2(CC2)C1 ZINC000601387244 350729229 /nfs/dbraw/zinc/72/92/29/350729229.db2.gz RCCBSRWBTGGNNH-UHFFFAOYSA-N -1 3 260.268 2.554 20 30 CFEDHM CCc1[n-]n(-c2cccc(C#N)c2)c(=O)c1C(C)C ZINC000601930515 350805501 /nfs/dbraw/zinc/80/55/01/350805501.db2.gz HKXFGOISOBMXLI-AWEZNQCLSA-N -1 3 255.321 2.943 20 30 CFEDHM CCc1c(-c2cccc(C)c2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000601933531 350806504 /nfs/dbraw/zinc/80/65/04/350806504.db2.gz RAADOAZULNLSSG-GXTWGEPZSA-N -1 3 269.348 2.727 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000611280046 351663616 /nfs/dbraw/zinc/66/36/16/351663616.db2.gz BUUZMLWECDTUGL-LBPRGKRZSA-N -1 3 260.337 2.938 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612366916 351809005 /nfs/dbraw/zinc/80/90/05/351809005.db2.gz ZHJTZIXZKFIOAX-INIZCTEOSA-N -1 3 272.348 2.720 20 30 CFEDHM C=CCCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000613842290 352016276 /nfs/dbraw/zinc/01/62/76/352016276.db2.gz HHSXPCHUBGUMKZ-UHFFFAOYSA-N -1 3 251.351 2.762 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000617038521 352474680 /nfs/dbraw/zinc/47/46/80/352474680.db2.gz YLQSWODNTBHUJC-AAEUAGOBSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CCN(C(=O)c1ccc(CC)cc1[O-])[C@@H](C)COC ZINC000617582786 352597440 /nfs/dbraw/zinc/59/74/40/352597440.db2.gz VHEWLDMDBJBFEL-LBPRGKRZSA-N -1 3 277.364 2.618 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000617787182 352647051 /nfs/dbraw/zinc/64/70/51/352647051.db2.gz ITSAXPMRLKIPHD-GFCCVEGCSA-N -1 3 275.348 2.829 20 30 CFEDHM Cc1cccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000618786019 352880823 /nfs/dbraw/zinc/88/08/23/352880823.db2.gz BMJBZQKSDNPCTE-INIZCTEOSA-N -1 3 292.338 2.990 20 30 CFEDHM Cc1cccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000618786021 352880931 /nfs/dbraw/zinc/88/09/31/352880931.db2.gz BMJBZQKSDNPCTE-MRXNPFEDSA-N -1 3 292.338 2.990 20 30 CFEDHM C=CCOc1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC000297519005 200216824 /nfs/dbraw/zinc/21/68/24/200216824.db2.gz OHOLELXSXLDOCN-UHFFFAOYSA-N -1 3 275.348 2.784 20 30 CFEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426782947 239263129 /nfs/dbraw/zinc/26/31/29/239263129.db2.gz IOCGEWKIHXNPDL-ZDUSSCGKSA-N -1 3 272.329 2.535 20 30 CFEDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443079265 241038842 /nfs/dbraw/zinc/03/88/42/241038842.db2.gz JAFAXHXCIUTPQG-VIFPVBQESA-N -1 3 298.795 2.536 20 30 CFEDHM C=CCOc1ccccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000066115123 373912150 /nfs/dbraw/zinc/91/21/50/373912150.db2.gz KAYCITHSIJGZBM-AWEZNQCLSA-N -1 3 275.348 2.548 20 30 CFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2ccccn2)ccc1F ZINC000066507239 373935084 /nfs/dbraw/zinc/93/50/84/373935084.db2.gz LWTPFEYECACMKD-LBPRGKRZSA-N -1 3 297.289 2.669 20 30 CFEDHM N#Cc1cccc(/C=C/C(=O)[N-]OC2CCCCC2)c1 ZINC000492664946 246357088 /nfs/dbraw/zinc/35/70/88/246357088.db2.gz YNCBXQLJECSUEZ-MDZDMXLPSA-N -1 3 270.332 2.952 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000451802031 383710783 /nfs/dbraw/zinc/71/07/83/383710783.db2.gz KKDNPWXNDKYQBT-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM COc1ccc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000118227157 376279577 /nfs/dbraw/zinc/27/95/77/376279577.db2.gz WMSOWVOXNBRONV-UHFFFAOYSA-N -1 3 290.363 2.803 20 30 CFEDHM Cc1nnc(Sc2cccc([O-])c2)c(C#N)c1C ZINC000131044350 377649384 /nfs/dbraw/zinc/64/93/84/377649384.db2.gz WXQCAQUATFAIFS-UHFFFAOYSA-N -1 3 257.318 2.822 20 30 CFEDHM N#Cc1cccc(/C=C/C(=O)[N-]OC2CCCC2)c1 ZINC000135140391 378090123 /nfs/dbraw/zinc/09/01/23/378090123.db2.gz BPNMMYAKGROQMY-CMDGGOBGSA-N -1 3 256.305 2.562 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000152171590 378401247 /nfs/dbraw/zinc/40/12/47/378401247.db2.gz SIFNBKFVVOWQHZ-LRDDRELGSA-N -1 3 272.348 2.903 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2CCCOC2)c1 ZINC000330761834 335041809 /nfs/dbraw/zinc/04/18/09/335041809.db2.gz NPMUWGFVHSDVMZ-MNOVXSKESA-N -1 3 279.336 2.521 20 30 CFEDHM CCC1(CC)[C@H](NC(=O)c2csc(=O)[n-]2)C[C@@H]1OC ZINC000329900675 378510843 /nfs/dbraw/zinc/51/08/43/378510843.db2.gz GHVKYHWVFPBPCH-ZJUUUORDSA-N -1 3 284.381 2.747 20 30 CFEDHM CS[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329897852 378511198 /nfs/dbraw/zinc/51/11/98/378511198.db2.gz DFEFMXIKJQFRHH-JGVFFNPUSA-N -1 3 272.395 2.828 20 30 CFEDHM C=CCN(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000157386009 378654340 /nfs/dbraw/zinc/65/43/40/378654340.db2.gz MWAUCTUCYSWFCV-UHFFFAOYSA-N -1 3 256.305 2.507 20 30 CFEDHM CC(=O)c1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000158693670 378671439 /nfs/dbraw/zinc/67/14/39/378671439.db2.gz PDKHBCURMJGQJS-NSHDSACASA-N -1 3 270.313 2.836 20 30 CFEDHM N#CC(=C([O-])c1sccc1C#N)c1ccccn1 ZINC000158693383 378672054 /nfs/dbraw/zinc/67/20/54/378672054.db2.gz HVHQSNSWZOPUIZ-SNVBAGLBSA-N -1 3 253.286 2.505 20 30 CFEDHM Cc1ccc([O-])c(CN(CCC#N)Cc2ccco2)n1 ZINC000159563513 378717807 /nfs/dbraw/zinc/71/78/07/378717807.db2.gz IHWHULTYLFVTNL-UHFFFAOYSA-N -1 3 271.320 2.605 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)c([O-])c1 ZINC000161321988 378839907 /nfs/dbraw/zinc/83/99/07/378839907.db2.gz DRETUPOGVASULL-AWEZNQCLSA-N -1 3 284.290 2.834 20 30 CFEDHM CN(CC(C)(C)C#N)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000334463384 379343284 /nfs/dbraw/zinc/34/32/84/379343284.db2.gz ZAYWKHJKIRRCQB-UHFFFAOYSA-N -1 3 286.375 2.893 20 30 CFEDHM N#CC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000334562204 379531417 /nfs/dbraw/zinc/53/14/17/379531417.db2.gz VQLWIVPMDXYYJG-UHFFFAOYSA-N -1 3 295.180 2.890 20 30 CFEDHM N#C[C@@]1(C(=O)Nc2cccc([O-])c2F)CC12CCCC2 ZINC000336185960 380282228 /nfs/dbraw/zinc/28/22/28/380282228.db2.gz HPNCLRPQIPOVFF-OAHLLOKOSA-N -1 3 274.295 2.944 20 30 CFEDHM N#Cc1ccnc([N-]C(=O)c2occc2Br)c1 ZINC000336494055 380361712 /nfs/dbraw/zinc/36/17/12/380361712.db2.gz LDOBVPGTFYCRCF-UHFFFAOYSA-N -1 3 292.092 2.561 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000336528826 380418127 /nfs/dbraw/zinc/41/81/27/380418127.db2.gz BEYKAROBCBTNNQ-GFCCVEGCSA-N -1 3 261.321 2.582 20 30 CFEDHM N#CCc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000179155725 380516091 /nfs/dbraw/zinc/51/60/91/380516091.db2.gz XHEXCBDCAIAVIV-UHFFFAOYSA-N -1 3 270.263 2.850 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000179791518 380582046 /nfs/dbraw/zinc/58/20/46/380582046.db2.gz IQBBSKLMOPYQIT-LLVKDONJSA-N -1 3 263.337 2.875 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000180855817 380706910 /nfs/dbraw/zinc/70/69/10/380706910.db2.gz WTXOJQHVTFDSAF-CYBMUJFWSA-N -1 3 299.440 2.562 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000182644508 381125887 /nfs/dbraw/zinc/12/58/87/381125887.db2.gz FMLWFHJWWWYUHC-NSHDSACASA-N -1 3 293.363 2.884 20 30 CFEDHM Cc1cc(C(=O)N(CCC#N)Cc2ccccn2)ccc1[O-] ZINC000354420948 381254823 /nfs/dbraw/zinc/25/48/23/381254823.db2.gz LZRVMCZKAWBJPG-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM CCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354469473 381291651 /nfs/dbraw/zinc/29/16/51/381291651.db2.gz PRCPAFMQKNWYFU-ZDUSSCGKSA-N -1 3 251.289 2.529 20 30 CFEDHM CCCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354458580 381284720 /nfs/dbraw/zinc/28/47/20/381284720.db2.gz BXDZAKMCAMXWCX-CQSZACIVSA-N -1 3 265.316 2.919 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000354651825 381386702 /nfs/dbraw/zinc/38/67/02/381386702.db2.gz IPKRZYVTXOTXKF-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM N#Cc1ccc(SCc2cc(=O)c([O-])co2)c(F)c1 ZINC000348721852 381686089 /nfs/dbraw/zinc/68/60/89/381686089.db2.gz OCHAPQGSROZQLX-UHFFFAOYSA-N -1 3 277.276 2.648 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1C ZINC000361542069 381841955 /nfs/dbraw/zinc/84/19/55/381841955.db2.gz VXJRXVCODUPEOT-CQSZACIVSA-N -1 3 290.326 2.767 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([O-])c(CC)c1 ZINC000293024780 381955359 /nfs/dbraw/zinc/95/53/59/381955359.db2.gz VAIOIIXMBJDLAG-ZBFHGGJFSA-N -1 3 289.375 2.666 20 30 CFEDHM C=CCN(c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1)C1CC1 ZINC000373377203 381991559 /nfs/dbraw/zinc/99/15/59/381991559.db2.gz MGTIWOJIJOZZRQ-UHFFFAOYSA-N -1 3 296.374 2.961 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000300706610 382067160 /nfs/dbraw/zinc/06/71/60/382067160.db2.gz BEKIFFLHPBXHPM-GMTAPVOTSA-N -1 3 298.433 2.723 20 30 CFEDHM COc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1[O-] ZINC000357585312 382239491 /nfs/dbraw/zinc/23/94/91/382239491.db2.gz VKZFFWYAUUOBGQ-NSHDSACASA-N -1 3 296.326 2.763 20 30 CFEDHM C=CCOc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345940250 382323809 /nfs/dbraw/zinc/32/38/09/382323809.db2.gz ZVYSHGRIZGNCTI-UHFFFAOYSA-N -1 3 284.315 2.913 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2sccc2C#N)c1 ZINC000352442515 382335265 /nfs/dbraw/zinc/33/52/65/382335265.db2.gz RMVQTJPBRCVGAN-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM COc1cc([O-])cc(NC(=O)c2cccc(C#N)c2)c1 ZINC000352464037 382346332 /nfs/dbraw/zinc/34/63/32/382346332.db2.gz NYOKQGMGLDSTSG-UHFFFAOYSA-N -1 3 268.272 2.525 20 30 CFEDHM CN(C)Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188292743 382386064 /nfs/dbraw/zinc/38/60/64/382386064.db2.gz WLMRNHHNLZDGOW-UHFFFAOYSA-N -1 3 295.342 2.578 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000352648388 382431588 /nfs/dbraw/zinc/43/15/88/382431588.db2.gz SLVCEKJWEASPRG-GFCCVEGCSA-N -1 3 296.326 2.978 20 30 CFEDHM C=CCN(CC=C)[C@H](CN=c1[n-]c(C(C)C)no1)C(C)C ZINC000346678716 382467806 /nfs/dbraw/zinc/46/78/06/382467806.db2.gz UIUXSAYIYBDVKL-CQSZACIVSA-N -1 3 292.427 2.725 20 30 CFEDHM C=CCC(F)(F)C(=O)N1CCCc2cccc([O-])c21 ZINC000294621738 382517416 /nfs/dbraw/zinc/51/74/16/382517416.db2.gz PZZSPXWWOFBQNU-UHFFFAOYSA-N -1 3 267.275 2.883 20 30 CFEDHM COc1cc(-c2noc(-c3ccc(C#N)cc3)n2)ccc1[O-] ZINC000389020996 382610261 /nfs/dbraw/zinc/61/02/61/382610261.db2.gz MCEMDNZUDFLPSE-UHFFFAOYSA-N -1 3 293.282 2.989 20 30 CFEDHM CCCc1cc(=O)[n-]c(C(=Cc2cc(C#N)n(C)c2)CC)n1 ZINC000193615751 382721721 /nfs/dbraw/zinc/72/17/21/382721721.db2.gz GIOPMPAAZVWYBJ-QPEQYQDCSA-N -1 3 296.374 2.883 20 30 CFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231808225 382866974 /nfs/dbraw/zinc/86/69/74/382866974.db2.gz UKJQHGZCHGBINM-QMMMGPOBSA-N -1 3 292.813 2.681 20 30 CFEDHM COc1ccc(NC(=O)c2cc(C#N)cs2)c([O-])c1 ZINC000442697987 382945810 /nfs/dbraw/zinc/94/58/10/382945810.db2.gz BPIGBVWSADATRH-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM N#CC(=C([O-])c1cccc2c1CCCC2)c1ccncn1 ZINC000578837685 382958524 /nfs/dbraw/zinc/95/85/24/382958524.db2.gz UFUWVRGUMNMEGK-HNNXBMFYSA-N -1 3 277.327 2.845 20 30 CFEDHM CC(C)C1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000339037021 383128003 /nfs/dbraw/zinc/12/80/03/383128003.db2.gz BPPGPSNXGHOYQZ-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cc(C)c(C#N)c(SCc2ncccc2[O-])n1 ZINC000584448235 383103321 /nfs/dbraw/zinc/10/33/21/383103321.db2.gz BLQMKDOAJPNTNT-UHFFFAOYSA-N -1 3 271.345 2.963 20 30 CFEDHM CC1(C)Cc2cc(C([O-])=C(C#N)c3ccncn3)ccc2O1 ZINC000584528833 383110449 /nfs/dbraw/zinc/11/04/49/383110449.db2.gz ACXNCDIICXKFKK-ZDUSSCGKSA-N -1 3 293.326 2.680 20 30 CFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ncccc1[O-] ZINC000567147442 383245877 /nfs/dbraw/zinc/24/58/77/383245877.db2.gz MWZKPESIDKUKOE-UHFFFAOYSA-N -1 3 299.330 2.884 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429894520 383576214 /nfs/dbraw/zinc/57/62/14/383576214.db2.gz XNTWYWKDMYJKFB-UHFFFAOYSA-N -1 3 280.176 2.848 20 30 CFEDHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531408467 383863892 /nfs/dbraw/zinc/86/38/92/383863892.db2.gz SUVMORBEVFCXKR-CYBMUJFWSA-N -1 3 296.367 2.554 20 30 CFEDHM CC(C)[C@@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436704766 383875854 /nfs/dbraw/zinc/87/58/54/383875854.db2.gz MWTKHNXIYANIKS-CQSZACIVSA-N -1 3 272.348 2.549 20 30 CFEDHM CS[C@H]1CCC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000265264233 383878872 /nfs/dbraw/zinc/87/88/72/383878872.db2.gz BGKZQRVKNAWWEI-USBFOUBNSA-N -1 3 294.420 2.681 20 30 CFEDHM N#CCC1(CNC(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000436998340 383899828 /nfs/dbraw/zinc/89/98/28/383899828.db2.gz IZFIEUSJCCZTHV-UHFFFAOYSA-N -1 3 284.359 2.695 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000437522915 383906091 /nfs/dbraw/zinc/90/60/91/383906091.db2.gz JXZLZMHKOXHCPV-XJKSGUPXSA-N -1 3 289.375 2.720 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000265702121 383980970 /nfs/dbraw/zinc/98/09/70/383980970.db2.gz FERJEZLKWVEVTP-UHFFFAOYSA-N -1 3 263.337 2.916 20 30 CFEDHM N#Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(Cl)c1 ZINC000274825872 385879129 /nfs/dbraw/zinc/87/91/29/385879129.db2.gz KWRGNFKIFHXHGX-LBPRGKRZSA-N -1 3 295.726 2.791 20 30 CFEDHM N#Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(Cl)c1 ZINC000274825872 385879132 /nfs/dbraw/zinc/87/91/32/385879132.db2.gz KWRGNFKIFHXHGX-LBPRGKRZSA-N -1 3 295.726 2.791 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC000281606690 195307198 /nfs/dbraw/zinc/30/71/98/195307198.db2.gz WHEAAUGGZWFDPY-XJKSGUPXSA-N -1 3 289.375 2.666 20 30 CFEDHM COc1ccc(CNCCCC#N)c(Br)c1[O-] ZINC000354651228 533661568 /nfs/dbraw/zinc/66/15/68/533661568.db2.gz XFPQLYCVUQUAKX-UHFFFAOYSA-N -1 3 299.168 2.557 20 30 CFEDHM Cc1ccc(NC(=O)c2ccc(C#N)c(C)n2)c([O-])c1 ZINC000340032607 393834460 /nfs/dbraw/zinc/83/44/60/393834460.db2.gz AGJZBVCJSIGKQG-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM C=CC[C@H](CC)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412319525 393766581 /nfs/dbraw/zinc/76/65/81/393766581.db2.gz TUHZRQZIAQMWSV-LBPRGKRZSA-N -1 3 261.321 2.679 20 30 CFEDHM CC#CCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338809115 393801557 /nfs/dbraw/zinc/80/15/57/393801557.db2.gz KPMYXHCDEWHXDW-UHFFFAOYSA-N -1 3 271.238 2.554 20 30 CFEDHM C=CCCc1ccccc1[N-]S(=O)(=O)[C@H](C#N)CC ZINC000416954729 393946712 /nfs/dbraw/zinc/94/67/12/393946712.db2.gz IUBRXBGDNVWWJJ-ZDUSSCGKSA-N -1 3 278.377 2.849 20 30 CFEDHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000416941087 393946715 /nfs/dbraw/zinc/94/67/15/393946715.db2.gz QADQVAIFMKISCL-BXUZGUMPSA-N -1 3 296.392 2.908 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000416958895 393946718 /nfs/dbraw/zinc/94/67/18/393946718.db2.gz PJVPMAZQVBOQNV-CQSZACIVSA-N -1 3 294.376 2.519 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000416948695 393947239 /nfs/dbraw/zinc/94/72/39/393947239.db2.gz PUWHEJRVQHCVGZ-ZDUSSCGKSA-N -1 3 291.376 2.532 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(F)ccc1C ZINC000417621860 393984966 /nfs/dbraw/zinc/98/49/66/393984966.db2.gz GNVRLMBCWKVJBG-CYBMUJFWSA-N -1 3 251.301 2.643 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccccc1Br ZINC000417626611 393986522 /nfs/dbraw/zinc/98/65/22/393986522.db2.gz OGYUKTATSXSLMD-NSHDSACASA-N -1 3 298.180 2.958 20 30 CFEDHM CCc1cc(=O)[n-]c(CSCc2nc(C#N)cs2)n1 ZINC000419439680 394043298 /nfs/dbraw/zinc/04/32/98/394043298.db2.gz OOBUKWUGQQTDBS-UHFFFAOYSA-N -1 3 292.389 2.506 20 30 CFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cncs1)CCCC2 ZINC000274955091 394045466 /nfs/dbraw/zinc/04/54/66/394045466.db2.gz JJTQTXRCEOANLS-UHFFFAOYSA-N -1 3 284.344 2.541 20 30 CFEDHM COc1cc(/C=C/c2ncccc2C#N)cc(OC)c1[O-] ZINC000436925484 394035369 /nfs/dbraw/zinc/03/53/69/394035369.db2.gz BSLQXEJVWOZAIH-AATRIKPKSA-N -1 3 282.299 2.846 20 30 CFEDHM C=CCO[N-]C(=O)/C=C/c1ccc(OCC)c(OCC)c1 ZINC000492951570 394106233 /nfs/dbraw/zinc/10/62/33/394106233.db2.gz FWBVIMHRDNWNDA-CSKARUKUSA-N -1 3 291.347 2.731 20 30 CFEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccccc1[O-] ZINC000158096286 394354544 /nfs/dbraw/zinc/35/45/44/394354544.db2.gz IKLQKIJNNMTDFW-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM C=C(C)CN(C)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000165834691 542908721 /nfs/dbraw/zinc/90/87/21/542908721.db2.gz SLNBECSICPKIFS-UHFFFAOYSA-N -1 3 270.332 2.897 20 30 CFEDHM C=CCCC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000647773502 395426999 /nfs/dbraw/zinc/42/69/99/395426999.db2.gz MZSPYIJXPSMELU-UHFFFAOYSA-N -1 3 293.330 2.925 20 30 CFEDHM C=CCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000647773502 395427004 /nfs/dbraw/zinc/42/70/04/395427004.db2.gz MZSPYIJXPSMELU-UHFFFAOYSA-N -1 3 293.330 2.925 20 30 CFEDHM C=CCCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000647773502 395427006 /nfs/dbraw/zinc/42/70/06/395427006.db2.gz MZSPYIJXPSMELU-UHFFFAOYSA-N -1 3 293.330 2.925 20 30 CFEDHM C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc([O-])cc2)no1 ZINC000656747343 413175512 /nfs/dbraw/zinc/17/55/12/413175512.db2.gz JBFMPLGTIQSYGH-CYBMUJFWSA-N -1 3 287.319 2.586 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)noc1C ZINC000657037810 413295674 /nfs/dbraw/zinc/29/56/74/413295674.db2.gz KFBWGANKYVVYHW-CHWSQXEVSA-N -1 3 298.408 2.705 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cscn1 ZINC000657036841 413295741 /nfs/dbraw/zinc/29/57/41/413295741.db2.gz OWFGVRXIDUGPHY-QWRGUYRKSA-N -1 3 286.422 2.556 20 30 CFEDHM C=CCn1c(SC[C@@H](CC)CC(F)F)n[n-]c1=O ZINC000657251486 413367366 /nfs/dbraw/zinc/36/73/66/413367366.db2.gz DBMRYWVRKFMNHF-QMMMGPOBSA-N -1 3 277.340 2.943 20 30 CFEDHM N#CC(=C([O-])c1cnc2n1CCC2)c1nc(C2CC2)cs1 ZINC000659115931 414441677 /nfs/dbraw/zinc/44/16/77/414441677.db2.gz KIKVYSCWWUTDHA-SNVBAGLBSA-N -1 3 298.371 2.653 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(OC2CC2)c1F ZINC000656566283 414608507 /nfs/dbraw/zinc/60/85/07/414608507.db2.gz GOXWSISDSRINOD-GFCCVEGCSA-N -1 3 293.338 2.876 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000660143588 414670471 /nfs/dbraw/zinc/67/04/71/414670471.db2.gz VHFJZKYYJRWUCC-UHFFFAOYSA-N -1 3 289.347 2.988 20 30 CFEDHM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1ccncn1 ZINC000354469125 227006609 /nfs/dbraw/zinc/00/66/09/227006609.db2.gz MORCBXTZBICQJP-LLVKDONJSA-N -1 3 289.241 2.568 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)sc2nccn12 ZINC000356140691 228137834 /nfs/dbraw/zinc/13/78/34/228137834.db2.gz BHHAZLXAEHOKRZ-JTQLQIEISA-N -1 3 282.328 2.589 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)c([O-])c1 ZINC000040360085 260221892 /nfs/dbraw/zinc/22/18/92/260221892.db2.gz ZWKDCEZYAPNWFV-AWEZNQCLSA-N -1 3 272.348 2.903 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)c([O-])c1 ZINC000040360086 260222139 /nfs/dbraw/zinc/22/21/39/260222139.db2.gz ZWKDCEZYAPNWFV-CQSZACIVSA-N -1 3 272.348 2.903 20 30 CFEDHM CCCOc1ccc(/C=N/[C@@H]2CCO[C@@H]2C)c([O-])c1 ZINC000160092176 261204196 /nfs/dbraw/zinc/20/41/96/261204196.db2.gz GHGHWMQLYBMLST-MDHSVXEESA-N -1 3 263.337 2.777 20 30 CFEDHM CC(C)C[C@H]1OCCC[C@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000186848099 262112872 /nfs/dbraw/zinc/11/28/72/262112872.db2.gz QDPKMFPRAIESPW-ONOOYWQNSA-N -1 3 293.363 2.816 20 30 CFEDHM CC(C)C[C@@H]1OCCC[C@@H]1/N=C/c1ccc(O)c([O-])c1O ZINC000186848151 262113132 /nfs/dbraw/zinc/11/31/32/262113132.db2.gz QDPKMFPRAIESPW-DCCLBIMISA-N -1 3 293.363 2.816 20 30 CFEDHM C[C@H](CCC#N)Sc1n[n-]c(-c2ccccn2)n1 ZINC000188316827 262154027 /nfs/dbraw/zinc/15/40/27/262154027.db2.gz AZEIJZRNYYKQPB-SECBINFHSA-N -1 3 259.338 2.651 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000116905350 262189822 /nfs/dbraw/zinc/18/98/22/262189822.db2.gz UCKCGUSSLDHLJX-MRVPVSSYSA-N -1 3 277.748 2.722 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc(O)c1[O-] ZINC000193130144 262217573 /nfs/dbraw/zinc/21/75/73/262217573.db2.gz APQYKSRJNOTVDD-UHFFFAOYSA-N -1 3 290.363 2.890 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2(C3CC3)CCC2)c1[O-] ZINC000269713165 262975662 /nfs/dbraw/zinc/97/56/62/262975662.db2.gz RIJJEDZEZVSPFU-CAOOACKPSA-N -1 3 274.364 2.587 20 30 CFEDHM N#CCc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271855587 263000025 /nfs/dbraw/zinc/00/00/25/263000025.db2.gz XTPNDYILVFWVOZ-UHFFFAOYSA-N -1 3 259.309 2.748 20 30 CFEDHM N#CCc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271855587 263000026 /nfs/dbraw/zinc/00/00/26/263000026.db2.gz XTPNDYILVFWVOZ-UHFFFAOYSA-N -1 3 259.309 2.748 20 30 CFEDHM COc1cc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)ccc1[O-] ZINC000272593492 263007259 /nfs/dbraw/zinc/00/72/59/263007259.db2.gz IZRIXPCGBJIUOS-MEDUHNTESA-N -1 3 288.347 2.603 20 30 CFEDHM COc1cc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)ccc1[O-] ZINC000272593498 263007396 /nfs/dbraw/zinc/00/73/96/263007396.db2.gz IZRIXPCGBJIUOS-ZBEGNZNMSA-N -1 3 288.347 2.603 20 30 CFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1F ZINC000274374260 263023557 /nfs/dbraw/zinc/02/35/57/263023557.db2.gz PEAHJZHTLBHEJK-AWEZNQCLSA-N -1 3 298.383 2.573 20 30 CFEDHM CCCOc1ccc(/C=N/CCC(C)(C)O)c([O-])c1 ZINC000274729655 263029666 /nfs/dbraw/zinc/02/96/66/263029666.db2.gz DEYMPBYANASPOV-LFIBNONCSA-N -1 3 265.353 2.761 20 30 CFEDHM Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c([O-])c1O ZINC000277396236 263041138 /nfs/dbraw/zinc/04/11/38/263041138.db2.gz AZZUNISQMQXELK-GFCCVEGCSA-N -1 3 288.347 2.561 20 30 CFEDHM CC1(C)CCCN(C(=O)c2cccc([O-])c2)[C@H]1C#N ZINC000277616105 263042323 /nfs/dbraw/zinc/04/23/23/263042323.db2.gz VSOIMPXZHQUPQP-ZDUSSCGKSA-N -1 3 258.321 2.547 20 30 CFEDHM COc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000277834609 263043674 /nfs/dbraw/zinc/04/36/74/263043674.db2.gz IJGGYYZVBIAHAJ-AWEZNQCLSA-N -1 3 288.347 2.555 20 30 CFEDHM [O-]c1ccccc1/C=N/C1CCN(c2nccs2)CC1 ZINC000281073276 263066280 /nfs/dbraw/zinc/06/62/80/263066280.db2.gz SZRYJGAXIJFDFY-GZTJUZNOSA-N -1 3 287.388 2.937 20 30 CFEDHM CCOc1cc(-c2noc(CCCC#N)n2)ccc1[O-] ZINC000291045338 263119553 /nfs/dbraw/zinc/11/95/53/263119553.db2.gz HEMCGRPHLVODLB-UHFFFAOYSA-N -1 3 273.292 2.687 20 30 CFEDHM CCc1cc(C(=O)N(CCC#N)CC2CC2)ccc1[O-] ZINC000291462913 263122834 /nfs/dbraw/zinc/12/28/34/263122834.db2.gz IHYILOSWOYTDFS-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM N#CCN(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000294416398 263161388 /nfs/dbraw/zinc/16/13/88/263161388.db2.gz FOMBCMFVMIGJMR-UHFFFAOYSA-N -1 3 294.354 2.993 20 30 CFEDHM N#CCCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294987928 263170564 /nfs/dbraw/zinc/17/05/64/263170564.db2.gz QEYASUCSQIQQKR-UHFFFAOYSA-N -1 3 282.343 2.898 20 30 CFEDHM CCc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000295502686 263178690 /nfs/dbraw/zinc/17/86/90/263178690.db2.gz GJMYXASMNREADW-STQMWFEESA-N -1 3 272.348 2.767 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)[C@@]2(C#N)CC23CCCC3)n1 ZINC000295678821 263180840 /nfs/dbraw/zinc/18/08/40/263180840.db2.gz LTASMKVBIPLJOF-HNNXBMFYSA-N -1 3 271.320 2.508 20 30 CFEDHM CC(C)(C)n1cc(/C=C2/Cc3cccc([O-])c3C2=O)nn1 ZINC000295776488 263182136 /nfs/dbraw/zinc/18/21/36/263182136.db2.gz CENPXMRNDIOUNY-FLIBITNWSA-N -1 3 283.331 2.561 20 30 CFEDHM C=CCC(C)(C)c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000340822710 263307850 /nfs/dbraw/zinc/30/78/50/263307850.db2.gz MEXZCPDQKVVTNP-UHFFFAOYSA-N -1 3 288.351 2.627 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000341057409 263319974 /nfs/dbraw/zinc/31/99/74/263319974.db2.gz ZEYBBEASHAUPRE-UHFFFAOYSA-N -1 3 297.424 2.734 20 30 CFEDHM CCc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1CC ZINC000416967906 263772885 /nfs/dbraw/zinc/77/28/85/263772885.db2.gz XQFBQWDEFRTLLP-GFCCVEGCSA-N -1 3 280.393 2.855 20 30 CFEDHM CC1(C)CCCN(CCNC(=O)c2ccc([O-])cc2F)C1 ZINC000331281964 264172228 /nfs/dbraw/zinc/17/22/28/264172228.db2.gz CTAXUPLYJTZGPL-UHFFFAOYSA-N -1 3 294.370 2.958 20 30 CFEDHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(N)=O ZINC000331247440 264179300 /nfs/dbraw/zinc/17/93/00/264179300.db2.gz WCGMZFYRRKSIHN-JTQLQIEISA-N -1 3 292.335 2.724 20 30 CFEDHM C[C@H](O)C(C)(C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331247411 264179331 /nfs/dbraw/zinc/17/93/31/264179331.db2.gz VYKILCAWCGNEBZ-VIFPVBQESA-N -1 3 293.363 2.570 20 30 CFEDHM C[C@@H](CC#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331251428 264181291 /nfs/dbraw/zinc/18/12/91/264181291.db2.gz ZXBRGEJZTLZKNN-VIFPVBQESA-N -1 3 274.320 2.712 20 30 CFEDHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)cc1[O-] ZINC000331263056 264184695 /nfs/dbraw/zinc/18/46/95/264184695.db2.gz FGGFENNXOYTVEU-JSGCOSHPSA-N -1 3 263.337 2.963 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@H]2CCC(C)(C)O2)cc1[O-] ZINC000331339403 264194140 /nfs/dbraw/zinc/19/41/40/264194140.db2.gz JSKITYMCVAENSH-GFCCVEGCSA-N -1 3 291.347 2.857 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(CC)ccc1[O-] ZINC000331345312 264204930 /nfs/dbraw/zinc/20/49/30/264204930.db2.gz VHTZYATYPCMPCR-OCCSQVGLSA-N -1 3 261.321 2.603 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC2(C#N)CCCCC2)c1 ZINC000132443779 264390344 /nfs/dbraw/zinc/39/03/44/264390344.db2.gz FRGYUPGMRQFJGG-UHFFFAOYSA-N -1 3 272.348 2.911 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)cc2c1OCC2 ZINC000417632156 264547264 /nfs/dbraw/zinc/54/72/64/264547264.db2.gz WKJMWMDJBUYXSD-ZDUSSCGKSA-N -1 3 295.766 2.784 20 30 CFEDHM C=CCCC1(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000356477859 266122506 /nfs/dbraw/zinc/12/25/06/266122506.db2.gz LFGXLDDXNFUBMF-UHFFFAOYSA-N -1 3 263.312 2.894 20 30 CFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)C#N)nc2)n1 ZINC000359063664 266530390 /nfs/dbraw/zinc/53/03/90/266530390.db2.gz DYHYXDVXGQCOAJ-UHFFFAOYSA-N -1 3 297.362 2.768 20 30 CFEDHM Cc1c(C#N)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000338625211 267278861 /nfs/dbraw/zinc/27/88/61/267278861.db2.gz IKJUCBXJDVFKBH-CQSZACIVSA-N -1 3 261.284 2.752 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(CC)C[C@H](C)C#N)c1 ZINC000119029030 267293254 /nfs/dbraw/zinc/29/32/54/267293254.db2.gz ZOGQSSSNMQFHRB-LLVKDONJSA-N -1 3 260.337 2.576 20 30 CFEDHM N#CC(=C([O-])c1ccc(C#N)s1)c1ccccn1 ZINC000429353407 268207315 /nfs/dbraw/zinc/20/73/15/268207315.db2.gz KBFIXBAUYXXXDL-JTQLQIEISA-N -1 3 253.286 2.505 20 30 CFEDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC1 ZINC000325399238 270299164 /nfs/dbraw/zinc/29/91/64/270299164.db2.gz KHQBFNMHVCTPRN-GFCCVEGCSA-N -1 3 298.433 2.867 20 30 CFEDHM C[C@H](C#N)CN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000351729064 278132914 /nfs/dbraw/zinc/13/29/14/278132914.db2.gz CJSGJKKOUADDTF-SECBINFHSA-N -1 3 266.291 2.794 20 30 CFEDHM CC1(C)CC(=O)C(=CNc2cccc([O-])c2)C(=O)C1 ZINC000028968272 278184044 /nfs/dbraw/zinc/18/40/44/278184044.db2.gz PEXHETUVSHDCND-UHFFFAOYSA-N -1 3 259.305 2.646 20 30 CFEDHM C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)c2c([O-])cccc21 ZINC000193844605 279713250 /nfs/dbraw/zinc/71/32/50/279713250.db2.gz PSQWCBPTTHQLNT-NSHDSACASA-N -1 3 293.326 2.813 20 30 CFEDHM N#Cc1cnccc1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000547945134 281760697 /nfs/dbraw/zinc/76/06/97/281760697.db2.gz GSODFFRJZFLOIW-UHFFFAOYSA-N -1 3 296.330 2.663 20 30 CFEDHM N#Cc1cc(C(=O)N=c2cc3ccccn3[n-]2)ccc1Cl ZINC000553001467 281869973 /nfs/dbraw/zinc/86/99/73/281869973.db2.gz ARYWKFQVAYDCBS-UHFFFAOYSA-N -1 3 296.717 2.534 20 30 CFEDHM CC(C)O[C@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000274200831 328209497 /nfs/dbraw/zinc/20/94/97/328209497.db2.gz MXBXJANOLJPTKJ-PUBDWJACSA-N -1 3 293.363 2.814 20 30 CFEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000274774864 328213503 /nfs/dbraw/zinc/21/35/03/328213503.db2.gz WCOXOEXSEBHVAO-AWEZNQCLSA-N -1 3 298.383 2.741 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2c3ccccc3O[C@H]2C)c1[O-] ZINC000289945396 328256860 /nfs/dbraw/zinc/25/68/60/328256860.db2.gz OUCDDNVPBURAMG-ADSRIYOHSA-N -1 3 298.342 2.529 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cccc([O-])c1 ZINC000181872048 323831386 /nfs/dbraw/zinc/83/13/86/323831386.db2.gz UWRNXOJSCLSUGK-UHFFFAOYSA-N -1 3 266.300 2.536 20 30 CFEDHM N#Cc1ccc(C[S@](=O)c2cccc([O-])c2)cc1F ZINC000191200515 324046187 /nfs/dbraw/zinc/04/61/87/324046187.db2.gz RFXAMCIYZPGYIA-IBGZPJMESA-N -1 3 275.304 2.711 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCCC2=O)c1 ZINC000331047782 328475495 /nfs/dbraw/zinc/47/54/95/328475495.db2.gz HFVGZAGROVIZIL-NSHDSACASA-N -1 3 261.321 2.628 20 30 CFEDHM Cc1nsc([N-]C(=O)c2cnc(C3CC3)s2)c1C#N ZINC000581534590 325129441 /nfs/dbraw/zinc/12/94/41/325129441.db2.gz REUBMFWPVVUVRN-UHFFFAOYSA-N -1 3 290.373 2.909 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000088475774 330376694 /nfs/dbraw/zinc/37/66/94/330376694.db2.gz ROZWYKMPIHFDAH-SECBINFHSA-N -1 3 272.757 2.692 20 30 CFEDHM CCC1(NC(=O)c2ccc(OC)cc2[O-])CCOCC1 ZINC000331234917 327387989 /nfs/dbraw/zinc/38/79/89/327387989.db2.gz KWJBDGIYZLUSPG-UHFFFAOYSA-N -1 3 279.336 2.665 20 30 CFEDHM CCC[C@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000526886744 328814473 /nfs/dbraw/zinc/81/44/73/328814473.db2.gz ANZCXLLGUJDNID-CYBMUJFWSA-N -1 3 268.316 2.967 20 30 CFEDHM C[C@@H](C#N)CN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000049180088 329635521 /nfs/dbraw/zinc/63/55/21/329635521.db2.gz FREYAPIUXVLIQQ-NSHDSACASA-N -1 3 272.348 2.503 20 30 CFEDHM CCN(CCC#N)C(=O)c1cc([O-])cc(Br)c1 ZINC000528136487 330308940 /nfs/dbraw/zinc/30/89/40/330308940.db2.gz VYSVVQIMPORWOB-UHFFFAOYSA-N -1 3 297.152 2.530 20 30 CFEDHM CC1CC(C#N)(C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000533159871 330351280 /nfs/dbraw/zinc/35/12/80/330351280.db2.gz CAAAPXVTMRXIGK-UHFFFAOYSA-N -1 3 264.712 2.924 20 30 CFEDHM C=CCCC[C@@H](C)N=c1[n-]c(C(=O)OC)c(C)s1 ZINC000433757729 330630717 /nfs/dbraw/zinc/63/07/17/330630717.db2.gz JTURAZURDYECGD-SECBINFHSA-N -1 3 268.382 2.817 20 30 CFEDHM C=CCn1c(S[C@H](C)C(=O)C2CCCCC2)n[n-]c1=O ZINC000450870956 331003925 /nfs/dbraw/zinc/00/39/25/331003925.db2.gz MRJZKDBDTLXQQW-SNVBAGLBSA-N -1 3 295.408 2.800 20 30 CFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000450978423 331009755 /nfs/dbraw/zinc/00/97/55/331009755.db2.gz LYZPVLJCVMCSLU-CYBMUJFWSA-N -1 3 286.441 2.814 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000451801435 331042550 /nfs/dbraw/zinc/04/25/50/331042550.db2.gz HRLFCCFCSONYCW-UHFFFAOYSA-N -1 3 277.748 2.724 20 30 CFEDHM CC(C)(CC#N)CNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000457994998 331239930 /nfs/dbraw/zinc/23/99/30/331239930.db2.gz PLWPGBNVQBSTMK-UHFFFAOYSA-N -1 3 286.375 2.941 20 30 CFEDHM C=C[C@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459425828 331280911 /nfs/dbraw/zinc/28/09/11/331280911.db2.gz MFKVVGHLSPZTNL-ZDUSSCGKSA-N -1 3 259.353 2.600 20 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2.657 20 30 CFEDHM COc1ccc([O-])c(C(=O)Nc2ccccc2CC#N)c1 ZINC000550101845 334213066 /nfs/dbraw/zinc/21/30/66/334213066.db2.gz WDXURVRNWIBDLP-UHFFFAOYSA-N -1 3 282.299 2.719 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000569255889 334864136 /nfs/dbraw/zinc/86/41/36/334864136.db2.gz AEYJHGXWKNHZRU-SNVBAGLBSA-N -1 3 275.352 2.534 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CSC)c1 ZINC000576373139 335195823 /nfs/dbraw/zinc/19/58/23/335195823.db2.gz GNRKHRXIUCZXLK-GFCCVEGCSA-N -1 3 284.406 2.593 20 30 CFEDHM O=C(N[C@@H]1CC12CCCCC2)c1csc(=O)[n-]1 ZINC000329982031 534758910 /nfs/dbraw/zinc/75/89/10/534758910.db2.gz OJNASGRBFFXKFL-SECBINFHSA-N -1 3 252.339 2.876 20 30 CFEDHM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230350041 524295580 /nfs/dbraw/zinc/29/55/80/524295580.db2.gz AEXZJMDXVHESEU-GHMZBOCLSA-N -1 3 298.433 2.724 20 30 CFEDHM N#Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1F ZINC000417044499 534777372 /nfs/dbraw/zinc/77/73/72/534777372.db2.gz YEKCCNUPXINXST-UHFFFAOYSA-N -1 3 284.294 2.682 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2cc(C#N)ccn2)n1 ZINC000155937289 525347179 /nfs/dbraw/zinc/34/71/79/525347179.db2.gz RQOVFNURLONPFB-VIFPVBQESA-N -1 3 272.333 2.611 20 30 CFEDHM Cc1n[nH]cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000347848227 534850368 /nfs/dbraw/zinc/85/03/68/534850368.db2.gz GTTVTQNYTRMBAJ-ZDUSSCGKSA-N -1 3 276.299 2.756 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(F)c1 ZINC000168375001 526665540 /nfs/dbraw/zinc/66/55/40/526665540.db2.gz ROJBHVAFQQCDKA-UHFFFAOYSA-N -1 3 290.319 2.639 20 30 CFEDHM N#Cc1ccnc([N-]C(=O)c2c(F)cc(F)cc2F)c1 ZINC000336455211 526759518 /nfs/dbraw/zinc/75/95/18/526759518.db2.gz RZPKLUJKZDTMIJ-UHFFFAOYSA-N -1 3 277.205 2.623 20 30 CFEDHM C=C1CCN(C(=O)c2ccc3[n-]c(OCC)nc3c2)CC1 ZINC000333601052 526899946 /nfs/dbraw/zinc/89/99/46/526899946.db2.gz VDMXDMYHUWMEHZ-UHFFFAOYSA-N -1 3 285.347 2.754 20 30 CFEDHM C=C1CCN(C(=O)c2ccc3nc(OCC)[n-]c3c2)CC1 ZINC000333601052 526899950 /nfs/dbraw/zinc/89/99/50/526899950.db2.gz VDMXDMYHUWMEHZ-UHFFFAOYSA-N -1 3 285.347 2.754 20 30 CFEDHM C=CCC[C@@H](NCc1cnc(C)[n-]c1=O)c1ccco1 ZINC000353674246 527450208 /nfs/dbraw/zinc/45/02/08/527450208.db2.gz TZSBOQXYSLQVCM-CYBMUJFWSA-N -1 3 273.336 2.881 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1cccc(OC)c1[O-] ZINC000336592688 527455561 /nfs/dbraw/zinc/45/55/61/527455561.db2.gz ZUSNEKPMNIXTSM-LLVKDONJSA-N -1 3 261.321 2.582 20 30 CFEDHM CCC1(CC)[C@H](NC(=O)c2csc(=O)[n-]2)[C@H](C)[C@H]1OC ZINC000329988544 529096376 /nfs/dbraw/zinc/09/63/76/529096376.db2.gz UJGMXCWEFLQFPK-JMJZKYOTSA-N -1 3 298.408 2.993 20 30 CFEDHM COc1cccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000078868646 545496612 /nfs/dbraw/zinc/49/66/12/545496612.db2.gz ZWDAZUNXIGPSMJ-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM COc1cccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000078868646 545496614 /nfs/dbraw/zinc/49/66/14/545496614.db2.gz ZWDAZUNXIGPSMJ-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM COc1cccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000078868646 545496616 /nfs/dbraw/zinc/49/66/16/545496616.db2.gz ZWDAZUNXIGPSMJ-UHFFFAOYSA-N -1 3 298.302 2.904 20 30 CFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744028691 574049896 /nfs/dbraw/zinc/04/98/96/574049896.db2.gz NRUDOUKSJQBFRI-XMELGKRDSA-N -1 3 282.343 2.863 20 30 CFEDHM CC(C)N(CC(=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000736454907 574055431 /nfs/dbraw/zinc/05/54/31/574055431.db2.gz GIBIYSOLNQAYGZ-UHFFFAOYSA-N -1 3 296.754 2.537 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NNC(=S)NCC1CCC1 ZINC000727653079 574059325 /nfs/dbraw/zinc/05/93/25/574059325.db2.gz CKVHHQDYPVAIAX-UHFFFAOYSA-N -1 3 297.811 2.644 20 30 CFEDHM Cc1csc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)n1 ZINC000727653799 574059345 /nfs/dbraw/zinc/05/93/45/574059345.db2.gz ZAQBTENPKVRGHL-WYWPZMPRSA-N -1 3 291.376 2.533 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1ccc(F)cc1F ZINC000753965698 574060027 /nfs/dbraw/zinc/06/00/27/574060027.db2.gz FZWKQVVKDHRBAD-UHFFFAOYSA-N -1 3 291.232 2.872 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000753996421 574062349 /nfs/dbraw/zinc/06/23/49/574062349.db2.gz UCUBPKLIMFLNLN-ZKRGRMMFSA-N -1 3 276.380 2.832 20 30 CFEDHM CCc1c(C)sc([N-]C(=O)c2cnsn2)c1C#N ZINC000727790673 574065725 /nfs/dbraw/zinc/06/57/25/574065725.db2.gz PXKWMEPZUHWTSY-UHFFFAOYSA-N -1 3 278.362 2.594 20 30 CFEDHM O=C1CCCN1c1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000730546104 574087075 /nfs/dbraw/zinc/08/70/75/574087075.db2.gz AQRNWRHOCWIEAJ-UHFFFAOYSA-N -1 3 296.326 2.975 20 30 CFEDHM Cc1ccc([O-])c(C=NN[C@H](C)c2ccccc2)n1 ZINC000728781657 574108941 /nfs/dbraw/zinc/10/89/41/574108941.db2.gz ZJALNHAHVCDRCH-GFCCVEGCSA-N -1 3 255.321 2.780 20 30 CFEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737263383 574125527 /nfs/dbraw/zinc/12/55/27/574125527.db2.gz UJHBMZFJGRUAPN-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737263383 574125530 /nfs/dbraw/zinc/12/55/30/574125530.db2.gz UJHBMZFJGRUAPN-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM CC(=O)N(C)c1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000745977418 574130068 /nfs/dbraw/zinc/13/00/68/574130068.db2.gz VHKSZAZYVVBLGC-UHFFFAOYSA-N -1 3 284.315 2.831 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737452029 574142308 /nfs/dbraw/zinc/14/23/08/574142308.db2.gz VXUXAZSUMOIWHQ-INIZCTEOSA-N -1 3 298.317 2.955 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNC(=S)Nc1ccccc1 ZINC000755497678 574166022 /nfs/dbraw/zinc/16/60/22/574166022.db2.gz NYBJAOLRVJHUDJ-UHFFFAOYSA-N -1 3 289.335 2.852 20 30 CFEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1cc(F)ccc1[O-] ZINC000755519443 574167200 /nfs/dbraw/zinc/16/72/00/574167200.db2.gz VSFDHZSUHBPJDK-UHFFFAOYSA-N -1 3 294.355 2.591 20 30 CFEDHM Cc1nn(C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000755585560 574169471 /nfs/dbraw/zinc/16/94/71/574169471.db2.gz VKYWZDDQPGCQMP-QKNMJKLUSA-N -1 3 286.306 2.957 20 30 CFEDHM COc1ccc(CNN=Cc2cc(F)ccc2[O-])cc1 ZINC000755654149 574175849 /nfs/dbraw/zinc/17/58/49/574175849.db2.gz GIESSGRJFSAWRK-UHFFFAOYSA-N -1 3 274.295 2.664 20 30 CFEDHM CC(C)c1nc(C#N)c(N=NCc2cc(F)ccc2[O-])o1 ZINC000755673331 574176684 /nfs/dbraw/zinc/17/66/84/574176684.db2.gz GZKLDJRFUWHQBE-UHFFFAOYSA-N -1 3 288.282 2.960 20 30 CFEDHM CCOc1ccc(/C=N\C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000729150471 574179728 /nfs/dbraw/zinc/17/97/28/574179728.db2.gz VVWILFJXAZVSBG-BKAYVGFPSA-N -1 3 299.370 2.813 20 30 CFEDHM CCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccn1 ZINC000729150353 574179884 /nfs/dbraw/zinc/17/98/84/574179884.db2.gz USRQJLAYWPLQIY-RKQRPNFGSA-N -1 3 299.374 2.943 20 30 CFEDHM O=c1[nH]c(NN=Cc2cc(F)ccc2[O-])nc2ccccc12 ZINC000755766765 574185839 /nfs/dbraw/zinc/18/58/39/574185839.db2.gz RPRMQXXVLQISAI-UHFFFAOYSA-N -1 3 298.277 2.626 20 30 CFEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCOC1 ZINC000733080781 574187203 /nfs/dbraw/zinc/18/72/03/574187203.db2.gz BCHARGNSTJEBEI-BKNIFWKGSA-N -1 3 253.729 2.891 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)CC(C)C)cc1 ZINC000755840138 574191519 /nfs/dbraw/zinc/19/15/19/574191519.db2.gz FGMUIICKJJAJFC-GFCCVEGCSA-N -1 3 296.317 2.841 20 30 CFEDHM COc1ccc(C=NNc2cc(C)ccn2)c([O-])c1 ZINC000755901525 574195718 /nfs/dbraw/zinc/19/57/18/574195718.db2.gz WVFLTDDCFVXTOZ-UHFFFAOYSA-N -1 3 257.293 2.550 20 30 CFEDHM N#Cc1ccc([C@@H](NCc2cccc(F)c2)C(=O)[O-])cc1 ZINC000739105922 574198812 /nfs/dbraw/zinc/19/88/12/574198812.db2.gz JQDHROAXSRRCFW-OAHLLOKOSA-N -1 3 284.290 2.613 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171574 574200066 /nfs/dbraw/zinc/20/00/66/574200066.db2.gz CKIBAADWKSFOHG-JMSVASOKSA-N -1 3 287.363 2.597 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2CCCCC2)c1[O-] ZINC000747707430 574207821 /nfs/dbraw/zinc/20/78/21/574207821.db2.gz HUSNENFYVWIECT-SXGWCWSVSA-N -1 3 262.353 2.587 20 30 CFEDHM CCOc1ccc(/C=N/CCOc2cccnc2)c([O-])c1 ZINC000733903228 574260935 /nfs/dbraw/zinc/26/09/35/574260935.db2.gz IYFBZICNEIOBKJ-WOJGMQOQSA-N -1 3 286.331 2.684 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2(CC(C)C)CC2)c1[O-] ZINC000756771997 574261730 /nfs/dbraw/zinc/26/17/30/574261730.db2.gz DBEFWOMAWQSUPB-IUXPMGMMSA-N -1 3 276.380 2.833 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@H]1CCCS1 ZINC000756772787 574261754 /nfs/dbraw/zinc/26/17/54/574261754.db2.gz UBVCYVZROGMVLN-AHEVQNHNSA-N -1 3 251.351 2.715 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@H]1CCCS1 ZINC000756772786 574261909 /nfs/dbraw/zinc/26/19/09/574261909.db2.gz UBVCYVZROGMVLN-ADVUTCEVSA-N -1 3 251.351 2.715 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@](C)(O)c1ccsc1 ZINC000740763161 574265859 /nfs/dbraw/zinc/26/58/59/574265859.db2.gz ADWQPZTXXTUNPW-HXIRNQQJSA-N -1 3 291.372 2.789 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/CC23CCC(CC2)C3)c1O ZINC000756841494 574267452 /nfs/dbraw/zinc/26/74/52/574267452.db2.gz XYLWFXPQFJKBPX-LZYBPNLTSA-N -1 3 261.321 2.803 20 30 CFEDHM N#Cc1ccc(C(=O)[N-]c2cc(C(F)(F)F)no2)s1 ZINC000749540098 574299814 /nfs/dbraw/zinc/29/98/14/574299814.db2.gz JJMPGDGTSROOQT-UHFFFAOYSA-N -1 3 287.222 2.879 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000741844448 574306760 /nfs/dbraw/zinc/30/67/60/574306760.db2.gz PGUUEVGRVGFKDO-KLPVSIKISA-N -1 3 288.391 2.976 20 30 CFEDHM C[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1cccc(C#N)c1 ZINC000743501929 574307458 /nfs/dbraw/zinc/30/74/58/574307458.db2.gz SXYIMUPTAOVGCP-PQQLAPNWSA-N -1 3 282.299 2.855 20 30 CFEDHM CC1(C)CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000749860222 574313129 /nfs/dbraw/zinc/31/31/29/574313129.db2.gz XURKDXIWZZHZJC-UHFFFAOYSA-N -1 3 294.420 2.715 20 30 CFEDHM CCOc1cc(CN=Nc2cccnn2)cc(Cl)c1[O-] ZINC000735976085 574346237 /nfs/dbraw/zinc/34/62/37/574346237.db2.gz AZPYAILSHHHCFN-UHFFFAOYSA-N -1 3 292.726 2.680 20 30 CFEDHM CC(C)C(=N[N-]S(=O)(=O)CCc1ccccc1)C1CC1 ZINC000743448478 574364751 /nfs/dbraw/zinc/36/47/51/574364751.db2.gz QTDYALGMVJDBDY-UHFFFAOYSA-N -1 3 294.420 2.571 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNc1cccc(F)c1F ZINC000743442222 574365022 /nfs/dbraw/zinc/36/50/22/574365022.db2.gz WQWALRNCFMSRML-UHFFFAOYSA-N -1 3 264.231 2.822 20 30 CFEDHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000750992046 574367222 /nfs/dbraw/zinc/36/72/22/574367222.db2.gz RIWUHWFGSCWNKQ-NSHDSACASA-N -1 3 298.383 2.944 20 30 CFEDHM CCOc1ccc(/C=N\Cc2cccn2C)c([O-])c1 ZINC000743502247 574367440 /nfs/dbraw/zinc/36/74/40/574367440.db2.gz XVZIWYHOHSRZIK-YBEGLDIGSA-N -1 3 258.321 2.749 20 30 CFEDHM COc1cccc([O-])c1/C=N/CCN1Cc2ccccc2C1 ZINC000743538895 574368333 /nfs/dbraw/zinc/36/83/33/574368333.db2.gz RQGCNIZFKFKFSH-YBFXNURJSA-N -1 3 296.370 2.836 20 30 CFEDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1cccc(C#N)c1 ZINC000743812956 574372533 /nfs/dbraw/zinc/37/25/33/574372533.db2.gz GSQNXOYIKQUTOD-SECBINFHSA-N -1 3 272.329 2.816 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1ncccc1F ZINC000751518136 574378181 /nfs/dbraw/zinc/37/81/81/574378181.db2.gz UFNHWJHGVWKANC-PXNMLYILSA-N -1 3 260.268 2.554 20 30 CFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000751596783 574379913 /nfs/dbraw/zinc/37/99/13/574379913.db2.gz OLALGYXZFIYALI-CQSZACIVSA-N -1 3 290.388 2.585 20 30 CFEDHM CCOC(=O)[C@@H](CC1CC1)/N=C/c1c([O-])cccc1OC ZINC000751889411 574384328 /nfs/dbraw/zinc/38/43/28/574384328.db2.gz BDSQTDXCTRFBHJ-VGSSETLESA-N -1 3 291.347 2.552 20 30 CFEDHM CCOC(=O)[C@@H](CC1CC1)/N=C\c1c([O-])cccc1OC ZINC000751889409 574384422 /nfs/dbraw/zinc/38/44/22/574384422.db2.gz BDSQTDXCTRFBHJ-OMJMQIJPSA-N -1 3 291.347 2.552 20 30 CFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(N)cc1[O-] ZINC000752397077 574391035 /nfs/dbraw/zinc/39/10/35/574391035.db2.gz IFMIOYWQAVUTRV-UHFFFAOYSA-N -1 3 288.372 2.864 20 30 CFEDHM N#Cc1ccc(C(=O)OCc2cc3ccccc3o2)[n-]1 ZINC000752478717 574391814 /nfs/dbraw/zinc/39/18/14/574391814.db2.gz JJNMDEPIFBRSMG-UHFFFAOYSA-N -1 3 266.256 2.990 20 30 CFEDHM COc1cc(C(=O)/C=C/c2ncc(Cl)n2C)ccc1[O-] ZINC000752885499 574396166 /nfs/dbraw/zinc/39/61/66/574396166.db2.gz HOIFGCRMBKTDTQ-AATRIKPKSA-N -1 3 292.722 2.684 20 30 CFEDHM CC(C)(O)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091689 620636749 /nfs/dbraw/zinc/63/67/49/620636749.db2.gz ICHJTJCQNNDDOU-UHFFFAOYSA-N -1 3 273.332 2.719 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000095213147 598877366 /nfs/dbraw/zinc/87/73/66/598877366.db2.gz YPEFRVDXXCBLOC-YVMONPNESA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000095213147 598877368 /nfs/dbraw/zinc/87/73/68/598877368.db2.gz YPEFRVDXXCBLOC-YVMONPNESA-N -1 3 280.287 2.664 20 30 CFEDHM C[C@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690321 607253290 /nfs/dbraw/zinc/25/32/90/607253290.db2.gz JOYIMFXIYQIMMI-NSHDSACASA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690321 607253291 /nfs/dbraw/zinc/25/32/91/607253291.db2.gz JOYIMFXIYQIMMI-NSHDSACASA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820690320 607253311 /nfs/dbraw/zinc/25/33/11/607253311.db2.gz JOYIMFXIYQIMMI-LLVKDONJSA-N -1 3 284.367 2.522 20 30 CFEDHM C[C@@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820690320 607253312 /nfs/dbraw/zinc/25/33/12/607253312.db2.gz JOYIMFXIYQIMMI-LLVKDONJSA-N -1 3 284.367 2.522 20 30 CFEDHM Cc1cc(C)nc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000900094521 620637183 /nfs/dbraw/zinc/63/71/83/620637183.db2.gz OFHQYRIIHPQGGR-UHFFFAOYSA-N -1 3 274.295 2.869 20 30 CFEDHM O=C(c1ccc2[nH]cnc2c1)N([O-])Cc1ccc(F)cc1 ZINC000900095856 620637620 /nfs/dbraw/zinc/63/76/20/620637620.db2.gz LTISCVSTNDGUGI-UHFFFAOYSA-N -1 3 285.278 2.734 20 30 CFEDHM O=C([O-])C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000821516660 597353645 /nfs/dbraw/zinc/35/36/45/597353645.db2.gz UIDHUQYEDZVQOU-CQSZACIVSA-N -1 3 291.778 2.878 20 30 CFEDHM C=C(C)CN(CC)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819722966 607303467 /nfs/dbraw/zinc/30/34/67/607303467.db2.gz SQTBYKCDNJTFKA-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C=C(C)CN(CC)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819722966 607303468 /nfs/dbraw/zinc/30/34/68/607303468.db2.gz SQTBYKCDNJTFKA-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C#CCN(C/C=C(/C)C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000825614712 601050126 /nfs/dbraw/zinc/05/01/26/601050126.db2.gz VXZVSBOPDNRVAH-IVOILVROSA-N -1 3 269.344 2.640 20 30 CFEDHM C=CC1(CC(=O)[N-]OC[C@H]2CCOC2)CCCCC1 ZINC000935593478 649920185 /nfs/dbraw/zinc/92/01/85/649920185.db2.gz JODRACYDKFKOBG-ZDUSSCGKSA-N -1 3 267.369 2.597 20 30 CFEDHM N#Cc1cccc([C@@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC000833075986 601299982 /nfs/dbraw/zinc/29/99/82/601299982.db2.gz PNCLIQVAJLDSLU-OAHLLOKOSA-N -1 3 284.290 2.613 20 30 CFEDHM CCCC[C@H](CNC(=O)[O-])NCc1ccc(C#N)s1 ZINC000826814834 603871048 /nfs/dbraw/zinc/87/10/48/603871048.db2.gz OBRSPQNHSIUDLV-SNVBAGLBSA-N -1 3 281.381 2.536 20 30 CFEDHM C#CC[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC000833360269 605115802 /nfs/dbraw/zinc/11/58/02/605115802.db2.gz HTGXUTBQIOTROI-AWEZNQCLSA-N -1 3 268.316 2.567 20 30 CFEDHM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CC[C@@H]1C ZINC000833615922 605213394 /nfs/dbraw/zinc/21/33/94/605213394.db2.gz NALOJRSRGPCDIH-RYUDHWBXSA-N -1 3 272.348 2.734 20 30 CFEDHM CCC(CC)(CNCc1ccc(C#N)cc1F)NC(=O)[O-] ZINC000826560857 605514337 /nfs/dbraw/zinc/51/43/37/605514337.db2.gz ALNWDDYXRLRLED-UHFFFAOYSA-N -1 3 293.342 2.613 20 30 CFEDHM CCc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821476635 606461731 /nfs/dbraw/zinc/46/17/31/606461731.db2.gz QKBCFVIFABDFQR-UHFFFAOYSA-N -1 3 296.334 2.858 20 30 CFEDHM CCc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821476635 606461732 /nfs/dbraw/zinc/46/17/32/606461732.db2.gz QKBCFVIFABDFQR-UHFFFAOYSA-N -1 3 296.334 2.858 20 30 CFEDHM Oc1ccccc1C=Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823733559 607121777 /nfs/dbraw/zinc/12/17/77/607121777.db2.gz ZANIPANTXQBMHN-UHFFFAOYSA-N -1 3 299.721 2.976 20 30 CFEDHM Clc1ccccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826353628 607882210 /nfs/dbraw/zinc/88/22/10/607882210.db2.gz XNFPKUDVHNSADH-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM Clc1ccccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826353628 607882211 /nfs/dbraw/zinc/88/22/11/607882211.db2.gz XNFPKUDVHNSADH-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM C#CCCCSCc1ccc(-c2nnn[n-]2)cc1F ZINC000823842264 608321213 /nfs/dbraw/zinc/32/12/13/608321213.db2.gz ZUIJOYZTGBLCFJ-UHFFFAOYSA-N -1 3 276.340 2.652 20 30 CFEDHM C#CCCCSCc1ccc(-c2nn[n-]n2)cc1F ZINC000823842264 608321215 /nfs/dbraw/zinc/32/12/15/608321215.db2.gz ZUIJOYZTGBLCFJ-UHFFFAOYSA-N -1 3 276.340 2.652 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@@]12CCO[C@@H]1CCCC2 ZINC000900680091 620701601 /nfs/dbraw/zinc/70/16/01/620701601.db2.gz XOGYQCMFOFDVRG-ZBFHGGJFSA-N -1 3 293.338 2.893 20 30 CFEDHM C[C@@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000824919363 609277656 /nfs/dbraw/zinc/27/76/56/609277656.db2.gz ULNNKCVBNPYJOG-NEPJUHHUSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000824919363 609277658 /nfs/dbraw/zinc/27/76/58/609277658.db2.gz ULNNKCVBNPYJOG-NEPJUHHUSA-N -1 3 298.394 2.768 20 30 CFEDHM C=C(C)CN(C)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823877668 609317692 /nfs/dbraw/zinc/31/76/92/609317692.db2.gz CPOGLDVHKDRWAM-UHFFFAOYSA-N -1 3 297.284 2.898 20 30 CFEDHM C=C(C)CN(C)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823877668 609317694 /nfs/dbraw/zinc/31/76/94/609317694.db2.gz CPOGLDVHKDRWAM-UHFFFAOYSA-N -1 3 297.284 2.898 20 30 CFEDHM C=CCCC[C@@H](C)Nc1nccc(C)c1-c1nnn[n-]1 ZINC000823893949 609584938 /nfs/dbraw/zinc/58/49/38/609584938.db2.gz BWBMKIGCNKBGDH-LLVKDONJSA-N -1 3 272.356 2.727 20 30 CFEDHM C=CCCC[C@@H](C)Nc1nccc(C)c1-c1nn[n-]n1 ZINC000823893949 609584940 /nfs/dbraw/zinc/58/49/40/609584940.db2.gz BWBMKIGCNKBGDH-LLVKDONJSA-N -1 3 272.356 2.727 20 30 CFEDHM C=C(C)CCN1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC000949696776 613246263 /nfs/dbraw/zinc/24/62/63/613246263.db2.gz QGJIJCQCZMXEMV-UHFFFAOYSA-N -1 3 288.391 2.505 20 30 CFEDHM C=CCO[N-]C(=O)Cc1ccc(C)cc1Br ZINC000837049677 630946383 /nfs/dbraw/zinc/94/63/83/630946383.db2.gz MWUBHDTUNVFMTR-UHFFFAOYSA-N -1 3 284.153 2.534 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891476177 617627600 /nfs/dbraw/zinc/62/76/00/617627600.db2.gz OPYFQMIUQHJPSW-UHFFFAOYSA-N -1 3 289.314 2.547 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891476177 617627603 /nfs/dbraw/zinc/62/76/03/617627603.db2.gz OPYFQMIUQHJPSW-UHFFFAOYSA-N -1 3 289.314 2.547 20 30 CFEDHM N#Cc1ccccc1/C=C\C(=O)Nc1ccccc1[O-] ZINC000255381419 617703819 /nfs/dbraw/zinc/70/38/19/617703819.db2.gz NWVZHHDJPJCPHY-KTKRTIGZSA-N -1 3 264.284 2.916 20 30 CFEDHM CN(C)c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000254990062 617718440 /nfs/dbraw/zinc/71/84/40/617718440.db2.gz UXLOGCCKZNWUPL-UHFFFAOYSA-N -1 3 272.304 2.620 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000255002494 617724864 /nfs/dbraw/zinc/72/48/64/617724864.db2.gz XQFVHQXXHXKKKS-IBSROHHASA-N -1 3 296.164 2.894 20 30 CFEDHM C=C(C)CO[N-]C(=O)CC1CC(OC(C)(C)C)C1 ZINC000846534789 618108178 /nfs/dbraw/zinc/10/81/78/618108178.db2.gz BKESXQDIRORJCF-UHFFFAOYSA-N -1 3 255.358 2.594 20 30 CFEDHM CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000901310617 620782768 /nfs/dbraw/zinc/78/27/68/620782768.db2.gz GQIXFAUTJVHFJT-UWVGGRQHSA-N -1 3 280.343 2.801 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)COC3)c1O ZINC000255319792 618196296 /nfs/dbraw/zinc/19/62/96/618196296.db2.gz FMOLUXAHQQLTAX-UHFFFAOYSA-N -1 3 271.272 2.584 20 30 CFEDHM O=C(c1cncnc1)N([O-])Cc1cccc2ccccc21 ZINC000901370986 620796762 /nfs/dbraw/zinc/79/67/62/620796762.db2.gz PLUYEVMQVHMPNQ-UHFFFAOYSA-N -1 3 279.299 2.661 20 30 CFEDHM Cc1c(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)nn1C ZINC000901372120 620797234 /nfs/dbraw/zinc/79/72/34/620797234.db2.gz RFVNFLVMDXDXSX-UHFFFAOYSA-N -1 3 297.717 2.553 20 30 CFEDHM O=C(c1ccc2cc[nH]c2n1)N([O-])Cc1ccc(F)cc1 ZINC000901372041 620797507 /nfs/dbraw/zinc/79/75/07/620797507.db2.gz OBEIOAZBJYBGFO-UHFFFAOYSA-N -1 3 285.278 2.734 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccccc1SC ZINC000856034651 618424788 /nfs/dbraw/zinc/42/47/88/618424788.db2.gz RZAIEYJYIGOBIK-UHFFFAOYSA-N -1 3 251.351 2.575 20 30 CFEDHM C=CCOc1ccccc1CN1CCC(CC(=O)[O-])CC1 ZINC000901419377 620812884 /nfs/dbraw/zinc/81/28/84/620812884.db2.gz QGJMUAMCTKBBAL-UHFFFAOYSA-N -1 3 289.375 2.938 20 30 CFEDHM C=CCC1(C(=O)[N-]OCCOC(C)C)CCCC1 ZINC000832337016 625286077 /nfs/dbraw/zinc/28/60/77/625286077.db2.gz FRRUKJAOASHPLA-UHFFFAOYSA-N -1 3 255.358 2.596 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000896501643 619750806 /nfs/dbraw/zinc/75/08/06/619750806.db2.gz GTRBVUMLQQAWGY-JTQLQIEISA-N -1 3 250.729 2.781 20 30 CFEDHM C=C1CC(c2noc(-c3cc(OC)ccc3[O-])n2)C1 ZINC000896883256 619858298 /nfs/dbraw/zinc/85/82/98/619858298.db2.gz GIZZQMIBNOOODL-UHFFFAOYSA-N -1 3 258.277 2.884 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[C@H]2C2CC2)c1[O-] ZINC000840712207 619931170 /nfs/dbraw/zinc/93/11/70/619931170.db2.gz XJXGQGTUGFDJDT-JDYOZIRPSA-N -1 3 288.391 2.833 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888119220 620122515 /nfs/dbraw/zinc/12/25/15/620122515.db2.gz XJMXDIKUOYIGSL-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888119220 620122516 /nfs/dbraw/zinc/12/25/16/620122516.db2.gz XJMXDIKUOYIGSL-UHFFFAOYSA-N -1 3 279.340 2.516 20 30 CFEDHM C=C1CCC(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)CC1 ZINC000888120441 620123046 /nfs/dbraw/zinc/12/30/46/620123046.db2.gz MPSVVECZTWKDEA-UHFFFAOYSA-N -1 3 291.351 2.660 20 30 CFEDHM C=C1CCC(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)CC1 ZINC000888120441 620123047 /nfs/dbraw/zinc/12/30/47/620123047.db2.gz MPSVVECZTWKDEA-UHFFFAOYSA-N -1 3 291.351 2.660 20 30 CFEDHM CCCCCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898211916 620346080 /nfs/dbraw/zinc/34/60/80/620346080.db2.gz YJFAHDNGRYQRRL-LBPRGKRZSA-N -1 3 279.384 2.792 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1N ZINC000901586296 620862619 /nfs/dbraw/zinc/86/26/19/620862619.db2.gz NXJWEYRLTBWRCC-UHFFFAOYSA-N -1 3 289.162 2.648 20 30 CFEDHM C[C@H](NCC(C)(C)C#N)c1cc(F)cc(F)c1[O-] ZINC000903100517 621252570 /nfs/dbraw/zinc/25/25/70/621252570.db2.gz QXFDMCNUTNOGTF-QMMMGPOBSA-N -1 3 254.280 2.871 20 30 CFEDHM C=CCCC[C@H](C)NC=C1c2ccccc2C(=O)[N-]C1=O ZINC000183394325 625485049 /nfs/dbraw/zinc/48/50/49/625485049.db2.gz CBDRAGNDCJTMNJ-YGRGUWMTSA-N -1 3 284.359 2.632 20 30 CFEDHM C=C(C)CCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903921463 621473950 /nfs/dbraw/zinc/47/39/50/621473950.db2.gz NZYNYHYAIVJAEO-UHFFFAOYSA-N -1 3 261.321 2.545 20 30 CFEDHM CC(C)Cn1ccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000904178828 621536414 /nfs/dbraw/zinc/53/64/14/621536414.db2.gz VWAPLYPLIDXUOP-UHFFFAOYSA-N -1 3 291.326 2.710 20 30 CFEDHM CC(C)[C@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173285 621541731 /nfs/dbraw/zinc/54/17/31/621541731.db2.gz IFXPDHLXTPAVKB-CHWSQXEVSA-N -1 3 251.301 2.836 20 30 CFEDHM O=C(c1conc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000904173849 621542152 /nfs/dbraw/zinc/54/21/52/621542152.db2.gz REBSBPAIKZFZSV-UHFFFAOYSA-N -1 3 276.267 2.723 20 30 CFEDHM CC(=O)C(C)(C)CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173903 621542257 /nfs/dbraw/zinc/54/22/57/621542257.db2.gz SQFKGNQQFJYUJB-UHFFFAOYSA-N -1 3 281.327 2.939 20 30 CFEDHM CCCCCCN([O-])C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000904206967 621543887 /nfs/dbraw/zinc/54/38/87/621543887.db2.gz NHWWCSWIAMDLTD-UHFFFAOYSA-N -1 3 260.334 2.620 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H]1CCOC[C@@H]1OCC ZINC000904207231 621543942 /nfs/dbraw/zinc/54/39/42/621543942.db2.gz WKWULVIVVLLZED-KGLIPLIRSA-N -1 3 287.400 2.616 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1ccnc(C)n1 ZINC000904206803 621543950 /nfs/dbraw/zinc/54/39/50/621543950.db2.gz ISTKJEPMCRGHJV-UHFFFAOYSA-N -1 3 265.357 2.516 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H](C)c1cnn(C)c1 ZINC000904206730 621544064 /nfs/dbraw/zinc/54/40/64/621544064.db2.gz FUJSZSRCEFIBRD-GFCCVEGCSA-N -1 3 267.373 2.712 20 30 CFEDHM CCCCCCN([O-])C(=O)c1nnn(C(C)C)c1C ZINC000904207055 621544056 /nfs/dbraw/zinc/54/40/56/621544056.db2.gz OWFPXFYALZDVHC-UHFFFAOYSA-N -1 3 268.361 2.579 20 30 CFEDHM CCn1nc(C)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904188747 621545475 /nfs/dbraw/zinc/54/54/75/621545475.db2.gz MKSPLXPVQUCPBD-UHFFFAOYSA-N -1 3 293.754 2.896 20 30 CFEDHM O=C(CC1CCOCC1)N([O-])Cc1ccccc1Cl ZINC000904188308 621545487 /nfs/dbraw/zinc/54/54/87/621545487.db2.gz ALYAXSWZGFCOFO-UHFFFAOYSA-N -1 3 283.755 2.875 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000904210714 621545556 /nfs/dbraw/zinc/54/55/56/621545556.db2.gz YQRYSGCZRCIJFR-OLZOCXBDSA-N -1 3 291.347 2.579 20 30 CFEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904190358 621545823 /nfs/dbraw/zinc/54/58/23/621545823.db2.gz KQVSKGRZIOUXKJ-MNOVXSKESA-N -1 3 283.755 2.873 20 30 CFEDHM CCOCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188948 621546015 /nfs/dbraw/zinc/54/60/15/621546015.db2.gz UEDQBTXGDRYZPJ-UHFFFAOYSA-N -1 3 271.744 2.875 20 30 CFEDHM O=C(C[C@H]1CCCO1)N([O-])Cc1ccccc1Cl ZINC000904192484 621546281 /nfs/dbraw/zinc/54/62/81/621546281.db2.gz NMKGLSUFJBOYNJ-LLVKDONJSA-N -1 3 269.728 2.627 20 30 CFEDHM CCn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C)n1 ZINC000904192821 621546769 /nfs/dbraw/zinc/54/67/69/621546769.db2.gz XPDCCZGGIBCWRF-UHFFFAOYSA-N -1 3 293.754 2.896 20 30 CFEDHM O=C(C[C@H]1CCOC1)N([O-])CCCCc1ccccc1 ZINC000904196745 621547600 /nfs/dbraw/zinc/54/76/00/621547600.db2.gz FGGHWDLHXVAJAV-OAHLLOKOSA-N -1 3 277.364 2.654 20 30 CFEDHM O=C(CCn1cccn1)N([O-])CCCCc1ccccc1 ZINC000904201133 621548987 /nfs/dbraw/zinc/54/89/87/621548987.db2.gz JUBIDLUHOKFOEU-UHFFFAOYSA-N -1 3 287.363 2.514 20 30 CFEDHM CCO[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201347 621549036 /nfs/dbraw/zinc/54/90/36/621549036.db2.gz OHMJAAUPAJXVJB-CYBMUJFWSA-N -1 3 265.353 2.652 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1cccnc1 ZINC000904204758 621550378 /nfs/dbraw/zinc/55/03/78/621550378.db2.gz UJKBOELRQAHLRF-LBPRGKRZSA-N -1 3 266.341 2.647 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CC12CCOCC2 ZINC000904204917 621550723 /nfs/dbraw/zinc/55/07/23/621550723.db2.gz VSBXBIMCITUNOM-GFCCVEGCSA-N -1 3 255.358 2.601 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1c(C)nn(C)c1C ZINC000904205285 621551045 /nfs/dbraw/zinc/55/10/45/621551045.db2.gz FWRLQCMBQXJOJK-UHFFFAOYSA-N -1 3 281.400 2.768 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccc(COC)o1 ZINC000904205877 621551200 /nfs/dbraw/zinc/55/12/00/621551200.db2.gz WRUXJWKPADVLQP-UHFFFAOYSA-N -1 3 255.314 2.838 20 30 CFEDHM CCCCN([O-])C(=O)C(C)(C)c1c(C)noc1C ZINC000904213292 621554317 /nfs/dbraw/zinc/55/43/17/621554317.db2.gz NSFAGCYWALDDNY-UHFFFAOYSA-N -1 3 254.330 2.587 20 30 CFEDHM CCCCN([O-])C(=O)C1(C(=O)OC(C)(C)C)CCC1 ZINC000904214759 621555127 /nfs/dbraw/zinc/55/51/27/621555127.db2.gz MDYYDRDGDWTZFY-UHFFFAOYSA-N -1 3 271.357 2.516 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000904214649 621555171 /nfs/dbraw/zinc/55/51/71/621555171.db2.gz IBTVCCYGWRLBSY-QWHCGFSZSA-N -1 3 263.337 2.817 20 30 CFEDHM CC(=NOC[C@@H]1CCOC1)c1ccc([O-])cc1Cl ZINC000905462349 621779128 /nfs/dbraw/zinc/77/91/28/621779128.db2.gz ISILFMCTAHKPAK-SNVBAGLBSA-N -1 3 269.728 2.823 20 30 CFEDHM CC(C)Cc1nnc([N-]C(=O)c2ccsc2C#N)s1 ZINC000906367853 621981012 /nfs/dbraw/zinc/98/10/12/621981012.db2.gz MOEPFZGULJIWSF-UHFFFAOYSA-N -1 3 292.389 2.922 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000907140610 622090916 /nfs/dbraw/zinc/09/09/16/622090916.db2.gz YLSJKXWJHVMLTD-GWCFXTLKSA-N -1 3 281.739 2.965 20 30 CFEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OC1CCCC1 ZINC000907221654 622099859 /nfs/dbraw/zinc/09/98/59/622099859.db2.gz SJQHVBYQGZTMJK-UHFFFAOYSA-N -1 3 272.348 2.708 20 30 CFEDHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000908462259 622232424 /nfs/dbraw/zinc/23/24/24/622232424.db2.gz KXZVKFMKZIDBKM-UHFFFAOYSA-N -1 3 277.748 2.722 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCC(=O)c1ccccc1 ZINC000911902465 622578668 /nfs/dbraw/zinc/57/86/68/622578668.db2.gz ACGHSGVZSIHVAZ-LBPRGKRZSA-N -1 3 261.321 2.662 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1SCC ZINC000911902846 622578979 /nfs/dbraw/zinc/57/89/79/622578979.db2.gz HXKHNJDICOZNKT-NSHDSACASA-N -1 3 265.378 2.963 20 30 CFEDHM COC(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000173987705 623379232 /nfs/dbraw/zinc/37/92/32/623379232.db2.gz UXEQMDYGOLOYES-VGOFMYFVSA-N -1 3 286.169 2.999 20 30 CFEDHM C[C@@]1(C#N)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000827649069 623482441 /nfs/dbraw/zinc/48/24/41/623482441.db2.gz HGCMOCBUNVOCHU-ZDUSSCGKSA-N -1 3 295.180 2.890 20 30 CFEDHM C[C@H](C#N)CN(C)Cc1ccc(Br)cc1[O-] ZINC000824597191 623529822 /nfs/dbraw/zinc/52/98/22/623529822.db2.gz MYTQVCNRYFDFQO-SECBINFHSA-N -1 3 283.169 2.746 20 30 CFEDHM C=CCC[C@H](NCc1cc(F)ccc1[O-])C(=O)OCC ZINC000825117923 623633613 /nfs/dbraw/zinc/63/36/13/623633613.db2.gz MTCLTRYBPJCASS-ZDUSSCGKSA-N -1 3 281.327 2.519 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000825704933 623744056 /nfs/dbraw/zinc/74/40/56/623744056.db2.gz QULWMDHRFREBTG-CLFYSBASSA-N -1 3 294.314 2.918 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000825704933 623744061 /nfs/dbraw/zinc/74/40/61/623744061.db2.gz QULWMDHRFREBTG-CLFYSBASSA-N -1 3 294.314 2.918 20 30 CFEDHM Cc1ccc(C)c(NN=Cc2c([O-])c(C)ncc2CO)c1 ZINC000916346240 624240282 /nfs/dbraw/zinc/24/02/82/624240282.db2.gz ZEADKFBFBFQVKU-UHFFFAOYSA-N -1 3 285.347 2.651 20 30 CFEDHM CSc1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000917554502 624358740 /nfs/dbraw/zinc/35/87/40/624358740.db2.gz AKBKQRSCVCFMAV-UHFFFAOYSA-N -1 3 284.348 2.521 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CCCC2CCCC2)c1[O-] ZINC000918155005 624424175 /nfs/dbraw/zinc/42/41/75/624424175.db2.gz RNHBUHTWPWBCGH-YVLHZVERSA-N -1 3 276.380 2.977 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2CCC(C)CC2)c1[O-] ZINC000920175528 624695700 /nfs/dbraw/zinc/69/57/00/624695700.db2.gz WWFRMSHPCWZPAP-MFOYZWKCSA-N -1 3 276.380 2.833 20 30 CFEDHM C#CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C1CC1 ZINC000175337548 624947976 /nfs/dbraw/zinc/94/79/76/624947976.db2.gz MULZCKQWMMCQLB-CQSZACIVSA-N -1 3 284.315 2.937 20 30 CFEDHM C#CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)C1CC1 ZINC000175337548 624947978 /nfs/dbraw/zinc/94/79/78/624947978.db2.gz MULZCKQWMMCQLB-CQSZACIVSA-N -1 3 284.315 2.937 20 30 CFEDHM COc1c([O-])ccc(C=NNCCC(C)(C)C)c1[N+](=O)[O-] ZINC000834968238 625936518 /nfs/dbraw/zinc/93/65/18/625936518.db2.gz FPLVROSKPMQHQW-UHFFFAOYSA-N -1 3 295.339 2.669 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCC(OC2CCCC2)CC1 ZINC000834969227 625937451 /nfs/dbraw/zinc/93/74/51/625937451.db2.gz LRPUQBIIOBTDEG-UHFFFAOYSA-N -1 3 276.384 2.512 20 30 CFEDHM CC(C)ON=Cc1cc(Br)ccc1[O-] ZINC000835004656 625952391 /nfs/dbraw/zinc/95/23/91/625952391.db2.gz ZYMPATJEWVMIMF-UHFFFAOYSA-N -1 3 258.115 2.914 20 30 CFEDHM C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CN1C1CC1 ZINC000835010245 625957027 /nfs/dbraw/zinc/95/70/27/625957027.db2.gz UTDXNZSYMLEKRK-SECBINFHSA-N -1 3 291.326 2.548 20 30 CFEDHM C=C(C)C[C@H](CO)NC(=O)c1cc2sccc2c([O-])c1 ZINC000922742745 626357335 /nfs/dbraw/zinc/35/73/35/626357335.db2.gz KQTNEMDDNSLXJP-LLVKDONJSA-N -1 3 291.372 2.664 20 30 CFEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000839281998 626532845 /nfs/dbraw/zinc/53/28/45/626532845.db2.gz SGYMDQKTCDXHQW-UHFFFAOYSA-N -1 3 271.694 2.960 20 30 CFEDHM Cc1nsc([N-]C(=O)c2ncoc2C(C)C)c1C#N ZINC000839349107 626534479 /nfs/dbraw/zinc/53/44/79/626534479.db2.gz QBUZYZWLYXYUDN-UHFFFAOYSA-N -1 3 276.321 2.687 20 30 CFEDHM C=CCCCCCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000805105150 626542889 /nfs/dbraw/zinc/54/28/89/626542889.db2.gz LNEAVXYYIJMOPK-UHFFFAOYSA-N -1 3 286.397 2.706 20 30 CFEDHM C#CC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000758006211 626572385 /nfs/dbraw/zinc/57/23/85/626572385.db2.gz LQRFCGLJGZADLX-MRXNPFEDSA-N -1 3 295.338 2.895 20 30 CFEDHM C#CC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000758006209 626572647 /nfs/dbraw/zinc/57/26/47/626572647.db2.gz LQRFCGLJGZADLX-INIZCTEOSA-N -1 3 295.338 2.895 20 30 CFEDHM [O-]c1ccc(Br)cc1C=NOCC(F)F ZINC000758900276 626616092 /nfs/dbraw/zinc/61/60/92/626616092.db2.gz UGYLRXCNHRBRAL-UHFFFAOYSA-N -1 3 280.068 2.770 20 30 CFEDHM CCC(N=Nc1nccnc1OC)c1ccc([O-])c(F)c1 ZINC000763407720 626986298 /nfs/dbraw/zinc/98/62/98/626986298.db2.gz GHSYFTNIRNFHSM-UHFFFAOYSA-N -1 3 290.298 2.556 20 30 CFEDHM N#Cc1cccc(OCCCOC(=O)c2ccc([O-])cc2)c1 ZINC000763859928 627018226 /nfs/dbraw/zinc/01/82/26/627018226.db2.gz AHJVFQIOCVHKTE-UHFFFAOYSA-N -1 3 297.310 2.890 20 30 CFEDHM C[C@H]1CC(C)(C)CC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000766015169 627171486 /nfs/dbraw/zinc/17/14/86/627171486.db2.gz ZRFXTTMVHGHBMJ-LBPRGKRZSA-N -1 3 294.420 2.918 20 30 CFEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000790604614 627229782 /nfs/dbraw/zinc/22/97/82/627229782.db2.gz TZVMIUSJPRWNNI-JTQLQIEISA-N -1 3 269.266 2.836 20 30 CFEDHM CC(=NNCc1ccc(C#N)cc1)c1ccc([O-])cc1F ZINC000769820328 627477827 /nfs/dbraw/zinc/47/78/27/627477827.db2.gz CBSBBFLMKALCFE-UHFFFAOYSA-N -1 3 283.306 2.917 20 30 CFEDHM N#Cc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)ccc1F ZINC000770571376 627530419 /nfs/dbraw/zinc/53/04/19/627530419.db2.gz RMLCCQSOQBUYME-ZSOIEALJSA-N -1 3 292.269 2.508 20 30 CFEDHM CC(=NNC[C@@H](C)C#N)c1cc(Br)ccc1[O-] ZINC000771106152 627578056 /nfs/dbraw/zinc/57/80/56/627578056.db2.gz BZQVZMFMGDQJAK-QMMMGPOBSA-N -1 3 296.168 2.628 20 30 CFEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581878 627616234 /nfs/dbraw/zinc/61/62/34/627616234.db2.gz GLWWMQNKLMZWII-NMTCXDENSA-N -1 3 294.763 2.864 20 30 CFEDHM CC(=NN[C@H](C)CC#N)c1cc(Br)ccc1[O-] ZINC000771881941 627642250 /nfs/dbraw/zinc/64/22/50/627642250.db2.gz VSIOJYVXQIVHSF-MRVPVSSYSA-N -1 3 296.168 2.770 20 30 CFEDHM N#Cc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c(F)c1 ZINC000772797350 627746264 /nfs/dbraw/zinc/74/62/64/627746264.db2.gz PFNZVJVZEXUUGH-RIYZIHGNSA-N -1 3 292.269 2.508 20 30 CFEDHM C[C@@H](C=NN=c1cc[n-]n1C)CCc1ccccc1 ZINC000774413514 627922409 /nfs/dbraw/zinc/92/24/09/627922409.db2.gz BSRRTIJXKZRPDB-CYBMUJFWSA-N -1 3 256.353 2.509 20 30 CFEDHM CCC(CC)CNN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000774474242 627930983 /nfs/dbraw/zinc/93/09/83/627930983.db2.gz XLYFKASQTGJRFU-UHFFFAOYSA-N -1 3 295.339 2.669 20 30 CFEDHM N#CCSCCCOC(=O)c1cc2occc2[n-]1 ZINC000805541793 628007423 /nfs/dbraw/zinc/00/74/23/628007423.db2.gz VCBHLHQQWNPKTH-UHFFFAOYSA-N -1 3 264.306 2.565 20 30 CFEDHM CCCC(CC)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000776179687 628112647 /nfs/dbraw/zinc/11/26/47/628112647.db2.gz CQIHUVAMNKBYBY-UHFFFAOYSA-N -1 3 268.382 2.672 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccccc2)c1 ZINC000776273146 628125156 /nfs/dbraw/zinc/12/51/56/628125156.db2.gz CBILLAAXCGDCBS-UHFFFAOYSA-N -1 3 253.257 2.621 20 30 CFEDHM CC(=NNCCOC(C)C)c1cc(Cl)ccc1[O-] ZINC000778550174 628315106 /nfs/dbraw/zinc/31/51/06/628315106.db2.gz AECTULPXJDQSDB-UHFFFAOYSA-N -1 3 270.760 2.784 20 30 CFEDHM COc1cccc(NN=Cc2ccc([O-])c(Cl)c2)n1 ZINC000779820308 628411303 /nfs/dbraw/zinc/41/13/03/628411303.db2.gz GTUPRZJKHYVCQJ-UHFFFAOYSA-N -1 3 277.711 2.895 20 30 CFEDHM C[C@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H](C)C1 ZINC000783831859 628748552 /nfs/dbraw/zinc/74/85/52/628748552.db2.gz BNDIZGXESJAWOF-STQMWFEESA-N -1 3 294.420 2.918 20 30 CFEDHM COc1ccc(C#N)cc1COC(=O)c1cc2occc2[n-]1 ZINC000786032611 628931155 /nfs/dbraw/zinc/93/11/55/628931155.db2.gz DPHMWIXYIYVFAE-UHFFFAOYSA-N -1 3 296.282 2.998 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NN[C@@H](CO)c1ccccc1 ZINC000788467320 629071823 /nfs/dbraw/zinc/07/18/23/629071823.db2.gz AQOAFZWISIPUNW-AWEZNQCLSA-N -1 3 290.750 2.703 20 30 CFEDHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000791745421 629351356 /nfs/dbraw/zinc/35/13/56/629351356.db2.gz KZDUKLAIERDRSM-GFCCVEGCSA-N -1 3 269.266 2.836 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=CC2(C)CCOCC2)nc(C)n1 ZINC000835061272 629365103 /nfs/dbraw/zinc/36/51/03/629365103.db2.gz YHOFWLMETRWWAR-NNTXTVRGSA-N -1 3 299.374 2.643 20 30 CFEDHM C#CCN(Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792174094 629403474 /nfs/dbraw/zinc/40/34/74/629403474.db2.gz GLIBGYHBXRQSBT-UHFFFAOYSA-N -1 3 253.704 2.782 20 30 CFEDHM C#CCSCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792196739 629409488 /nfs/dbraw/zinc/40/94/88/629409488.db2.gz YRHAZLFPONDXIG-UHFFFAOYSA-N -1 3 285.368 2.642 20 30 CFEDHM COc1cc(C=NN[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000793116087 629489385 /nfs/dbraw/zinc/48/93/85/629489385.db2.gz WIFLGCXFDUJNKW-SECBINFHSA-N -1 3 295.339 2.667 20 30 CFEDHM Cc1c([O-])ccc2c(CN([C@H](C)C#N)C3CC3)cc(=O)oc12 ZINC000852480143 634756001 /nfs/dbraw/zinc/75/60/01/634756001.db2.gz NXNSHMGCTXWDSQ-SNVBAGLBSA-N 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20 30 CFEDHM C=CCCO[N-]C(=O)CCCOc1ccc2c(c1)CCC2 ZINC000856032269 635707989 /nfs/dbraw/zinc/70/79/89/635707989.db2.gz JDNFRQHBUALOMV-UHFFFAOYSA-N -1 3 289.375 2.958 20 30 CFEDHM C=CCCO[N-]C(=O)CC1CC(OC(C)(C)C)C1 ZINC000856035018 635710438 /nfs/dbraw/zinc/71/04/38/635710438.db2.gz QHMIQUCSBGOAPO-UHFFFAOYSA-N -1 3 255.358 2.594 20 30 CFEDHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](C)C#N ZINC000856075546 635717758 /nfs/dbraw/zinc/71/77/58/635717758.db2.gz NJIFSTPXALSRLK-LLVKDONJSA-N -1 3 268.316 2.920 20 30 CFEDHM C=CCOc1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC000856351742 635794468 /nfs/dbraw/zinc/79/44/68/635794468.db2.gz MGQFFDUTTWFRCW-UHFFFAOYSA-N -1 3 275.348 2.642 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000856374198 635799190 /nfs/dbraw/zinc/79/91/90/635799190.db2.gz RKOSSQUIQOXREX-UHFFFAOYSA-N -1 3 285.347 2.810 20 30 CFEDHM C#C[C@H](CCC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857190820 635943336 /nfs/dbraw/zinc/94/33/36/635943336.db2.gz DHIYLSAHZHTLSD-LLVKDONJSA-N -1 3 285.265 2.943 20 30 CFEDHM C#C[C@@H](C)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857195107 635943978 /nfs/dbraw/zinc/94/39/78/635943978.db2.gz QVTIJAOVJHSGDJ-MRVPVSSYSA-N -1 3 271.238 2.505 20 30 CFEDHM C=C(C)CONC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857297841 635961947 /nfs/dbraw/zinc/96/19/47/635961947.db2.gz PKFRZZQNNUWEPD-UHFFFAOYSA-N -1 3 275.226 2.649 20 30 CFEDHM C#C[C@@H]([N-]c1nc2cccc(F)c2o1)[C@H]1CCCO1 ZINC000858488817 636269889 /nfs/dbraw/zinc/26/98/89/636269889.db2.gz ZAJHSHCJYWASAC-ZYHUDNBSSA-N -1 3 260.268 2.560 20 30 CFEDHM C=CC[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000860906067 637011863 /nfs/dbraw/zinc/01/18/63/637011863.db2.gz IGIWVADZJPNNIF-SNVBAGLBSA-N -1 3 288.347 2.716 20 30 CFEDHM C#CC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000862097218 637273959 /nfs/dbraw/zinc/27/39/59/637273959.db2.gz JTYCKMMIBJAIDM-ZDUSSCGKSA-N -1 3 257.333 2.576 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000862133018 637278259 /nfs/dbraw/zinc/27/82/59/637278259.db2.gz RLXUESSNBSJNLF-HZSPNIEDSA-N -1 3 277.751 2.850 20 30 CFEDHM C[C@H](CC#N)N(C)Cc1c([O-])cccc1Br ZINC000862239190 637295728 /nfs/dbraw/zinc/29/57/28/637295728.db2.gz YQZKLUHDHITOFM-SECBINFHSA-N -1 3 283.169 2.889 20 30 CFEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCOC1 ZINC000863128344 637566936 /nfs/dbraw/zinc/56/69/36/637566936.db2.gz KWCFPYINYFSWNA-UHFFFAOYSA-N -1 3 274.349 2.871 20 30 CFEDHM C[C@@H]1OCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863128663 637567072 /nfs/dbraw/zinc/56/70/72/637567072.db2.gz OIUNXNKOXGHMLB-QMMMGPOBSA-N -1 3 274.349 2.869 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCC23CC3)c1[O-] ZINC000864347049 637947990 /nfs/dbraw/zinc/94/79/90/637947990.db2.gz JEAAZJSRRROCPE-OLWAXZHHSA-N -1 3 274.364 2.587 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C(C)(F)F)c1[O-] ZINC000864348354 637948365 /nfs/dbraw/zinc/94/83/65/637948365.db2.gz JVGUBNWVTOSVSR-FMQZQXMHSA-N -1 3 286.322 2.688 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(F)c(N(C)C)cc1F ZINC000864512741 638007022 /nfs/dbraw/zinc/00/70/22/638007022.db2.gz NJWCFHCDNLGTSZ-LLVKDONJSA-N -1 3 298.333 2.540 20 30 CFEDHM COc1ncccc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866227552 638774323 /nfs/dbraw/zinc/77/43/23/638774323.db2.gz FCNCVANSSBGTFM-LLVKDONJSA-N -1 3 283.331 2.518 20 30 CFEDHM COc1cccnc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866369570 638807016 /nfs/dbraw/zinc/80/70/16/638807016.db2.gz MJNISXOWDSUWQH-LLVKDONJSA-N -1 3 283.331 2.518 20 30 CFEDHM CCCCCCCCS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000191027749 650475216 /nfs/dbraw/zinc/47/52/16/650475216.db2.gz MAECEXHOPWBKGG-UHFFFAOYSA-N -1 3 285.413 2.816 20 30 CFEDHM CCCCCCCCS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000191027749 650475217 /nfs/dbraw/zinc/47/52/17/650475217.db2.gz MAECEXHOPWBKGG-UHFFFAOYSA-N -1 3 285.413 2.816 20 30 CFEDHM C#CCCCCCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000869448368 639236132 /nfs/dbraw/zinc/23/61/32/639236132.db2.gz XLWCNVQPBUEAJJ-UHFFFAOYSA-N -1 3 292.331 2.760 20 30 CFEDHM CC[C@@H]1COCCN1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000871597178 641362696 /nfs/dbraw/zinc/36/26/96/641362696.db2.gz LJPXTFDLAQYGPQ-NGWPFTMJSA-N -1 3 296.798 2.575 20 30 CFEDHM C=CCN1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872164106 641684798 /nfs/dbraw/zinc/68/47/98/641684798.db2.gz CRVRPTFZQVRHDQ-UHFFFAOYSA-N -1 3 266.366 2.515 20 30 CFEDHM CC(CCc1c[nH]c2ccccc12)=NN=c1cc[n-]n1C ZINC000872366733 641773380 /nfs/dbraw/zinc/77/33/80/641773380.db2.gz GMZZFCIPHFDNJW-UHFFFAOYSA-N -1 3 281.363 2.744 20 30 CFEDHM CC1(C)CCC(NN=C2c3ccc([O-])cc3NC2=O)CC1 ZINC000872394449 641790489 /nfs/dbraw/zinc/79/04/89/641790489.db2.gz GDZCJXAAZOEUAL-UHFFFAOYSA-N -1 3 287.363 2.607 20 30 CFEDHM N#Cc1cc(F)c(C(=O)Nc2ccc([O-])cc2F)c(F)c1 ZINC000124638217 642288454 /nfs/dbraw/zinc/28/84/54/642288454.db2.gz VXOBNNOUCPYDGS-UHFFFAOYSA-N -1 3 292.216 2.933 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)CC ZINC000126202527 643045887 /nfs/dbraw/zinc/04/58/87/643045887.db2.gz ZSXWRKBPWKIZPI-CQSZACIVSA-N -1 3 296.317 2.986 20 30 CFEDHM C=CC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878095582 643731807 /nfs/dbraw/zinc/73/18/07/643731807.db2.gz YCLBSGBWJGAYIM-UHFFFAOYSA-N -1 3 285.347 2.840 20 30 CFEDHM N#CC[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878887949 644062948 /nfs/dbraw/zinc/06/29/48/644062948.db2.gz YQMFINKPVYEIIE-GFCCVEGCSA-N -1 3 298.346 2.568 20 30 CFEDHM C#CC1(NC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000882533126 645356737 /nfs/dbraw/zinc/35/67/37/645356737.db2.gz MSXPIKMSLGWELZ-UHFFFAOYSA-N -1 3 263.724 2.721 20 30 CFEDHM N#C[C@@H](OC(=O)c1cccc2nn[n-]c21)C1CCCCC1 ZINC000800205942 646189506 /nfs/dbraw/zinc/18/95/06/646189506.db2.gz STBLGEGSHOOVKA-CYBMUJFWSA-N -1 3 284.319 2.587 20 30 CFEDHM N#C[C@@H](OC(=O)c1cccc2[n-]nnc21)C1CCCCC1 ZINC000800205942 646189513 /nfs/dbraw/zinc/18/95/13/646189513.db2.gz STBLGEGSHOOVKA-CYBMUJFWSA-N -1 3 284.319 2.587 20 30 CFEDHM N#C[C@@H](OC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000800205942 646189518 /nfs/dbraw/zinc/18/95/18/646189518.db2.gz STBLGEGSHOOVKA-CYBMUJFWSA-N -1 3 284.319 2.587 20 30 CFEDHM C=CCC1(C(=O)[N-]OCCOc2ccccc2)CCC1 ZINC000889446737 647573457 /nfs/dbraw/zinc/57/34/57/647573457.db2.gz RQKAFCCHNDBYIP-UHFFFAOYSA-N -1 3 275.348 2.860 20 30 CFEDHM CC[C@@H](NCc1cc(C)no1)c1cccc(C#N)c1[O-] ZINC000924957880 648080260 /nfs/dbraw/zinc/08/02/60/648080260.db2.gz BBWGIQLIICYJJJ-CQSZACIVSA-N -1 3 271.320 2.801 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCOC[C@H]1CCCO1 ZINC000114990781 651249904 /nfs/dbraw/zinc/24/99/04/651249904.db2.gz ADJCGGRAGPMMMR-BPKVKKHESA-N -1 3 283.755 2.660 20 30 CFEDHM C[C@@H]1CC(=O)CC(=Nc2nc(Br)ccc2[O-])C1 ZINC001210767462 770360519 /nfs/dbraw/zinc/36/05/19/770360519.db2.gz WVJMMPPUZGKLOS-ZETCQYMHSA-N -1 3 297.152 2.845 20 30 CFEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])cc1N ZINC001216260357 770823645 /nfs/dbraw/zinc/82/36/45/770823645.db2.gz YVBLZAKSZRXGKU-UHFFFAOYSA-N -1 3 255.277 2.598 20 30 CFEDHM CO[C@@H](COc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225466375 775467584 /nfs/dbraw/zinc/46/75/84/775467584.db2.gz CKDCNGPTUMLBQU-HNNXBMFYSA-N -1 3 284.315 2.734 20 30 CFEDHM C#C[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225468862 775468897 /nfs/dbraw/zinc/46/88/97/775468897.db2.gz FFHKZSGYLQSDNY-OAHLLOKOSA-N -1 3 264.284 2.721 20 30 CFEDHM C#C[C@H](CCCCC)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470707 775470265 /nfs/dbraw/zinc/47/02/65/775470265.db2.gz YWGVUJAIYAPXFW-GFCCVEGCSA-N -1 3 258.321 2.928 20 30 CFEDHM CC#CC[C@@H](CC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225576464 775507328 /nfs/dbraw/zinc/50/73/28/775507328.db2.gz IRVHWPIQCGBDNH-MRVPVSSYSA-N -1 3 274.242 2.772 20 30 CFEDHM C=C[C@@H](CCC)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225577121 775507747 /nfs/dbraw/zinc/50/77/47/775507747.db2.gz SUBODQWXLPOCMT-ZETCQYMHSA-N -1 3 262.231 2.935 20 30 CFEDHM N#C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225579593 775509596 /nfs/dbraw/zinc/50/95/96/775509596.db2.gz MUEXWNGYCLKGMZ-JTQLQIEISA-N -1 3 295.220 2.845 20 30 CFEDHM C=CCC[C@H](CC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664293 775546703 /nfs/dbraw/zinc/54/67/03/775546703.db2.gz MKQAVCWVJORMGJ-VIFPVBQESA-N -1 3 252.270 2.819 20 30 CFEDHM Cc1cnc(=S)[n-]c1O[C@@H](C)C#C[Si](C)(C)C ZINC001225740049 775577904 /nfs/dbraw/zinc/57/79/04/775577904.db2.gz BFVDCAFSXBDNKH-JTQLQIEISA-N -1 3 266.442 2.722 20 30 CFEDHM C=C1O[C@H](CC)C(=O)C1Oc1cc(C(C)=O)ccc1[O-] ZINC001225996863 775661412 /nfs/dbraw/zinc/66/14/12/775661412.db2.gz YUFFABPJZBHKKH-GFCCVEGCSA-N -1 3 276.288 2.583 20 30 CFEDHM C=C1O[C@H](CC)C(=O)C1Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118484 775705343 /nfs/dbraw/zinc/70/53/43/775705343.db2.gz GJVPXZMUBJIIPD-SNVBAGLBSA-N -1 3 292.360 2.631 20 30 CFEDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226116023 775706268 /nfs/dbraw/zinc/70/62/68/775706268.db2.gz MJFGZGNOPZZWGV-AUUGRSLUSA-N -1 3 291.347 2.995 20 30 CFEDHM [O-]/N=C/c1ccnc(O[C@H]2CCCc3ccccc32)n1 ZINC001226254247 775756067 /nfs/dbraw/zinc/75/60/67/775756067.db2.gz SGIYICUDVQZCCH-FBJMNJBLSA-N -1 3 269.304 2.741 20 30 CFEDHM CC(C)CCC[C@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226255291 775758099 /nfs/dbraw/zinc/75/80/99/775758099.db2.gz HLGUFTWAKYYFSI-ZRRZQRFHSA-N -1 3 251.330 2.878 20 30 CFEDHM CCC#C[C@H](C)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226261734 775760728 /nfs/dbraw/zinc/76/07/28/775760728.db2.gz XCEASQFDEJTOJZ-JTQLQIEISA-N -1 3 272.304 2.530 20 30 CFEDHM C#C[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380715 775797190 /nfs/dbraw/zinc/79/71/90/775797190.db2.gz ZXDFAUVOJCCYLW-SNVBAGLBSA-N -1 3 292.290 2.568 20 30 CFEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)nnc1C ZINC001226464825 775834995 /nfs/dbraw/zinc/83/49/95/775834995.db2.gz SWBMWEFKONGHDT-ADEWGFFLSA-N -1 3 263.341 2.645 20 30 CFEDHM C=CC[C@H](Oc1[n-]c(=O)nc2cnncc21)c1ccccc1 ZINC001226692783 775922447 /nfs/dbraw/zinc/92/24/47/775922447.db2.gz QKMBQRYGFSCRRL-AWEZNQCLSA-N -1 3 294.314 2.822 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2OC)C1 ZINC001226823127 775979703 /nfs/dbraw/zinc/97/97/03/775979703.db2.gz QVNZIXGQRKKSBN-VXGBXAGGSA-N -1 3 276.336 2.871 20 30 CFEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCN(CC)C1 ZINC001227120878 776107035 /nfs/dbraw/zinc/10/70/35/776107035.db2.gz VQZLVFINVWFXJE-ZDUSSCGKSA-N -1 3 289.375 2.796 20 30 CFEDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227350904 776183004 /nfs/dbraw/zinc/18/30/04/776183004.db2.gz QQOLVBGIBFHRNK-DGCLKSJQSA-N -1 3 289.331 2.765 20 30 CFEDHM COC(=O)CC1CCC(Oc2cc(C#N)ccc2[O-])CC1 ZINC001227350675 776183693 /nfs/dbraw/zinc/18/36/93/776183693.db2.gz OXNRFIDZJXUPIR-UHFFFAOYSA-N -1 3 289.331 2.765 20 30 CFEDHM C#C[C@@H](Oc1cc(CCC)nc(=S)[n-]1)c1ccncc1 ZINC001227422215 776199598 /nfs/dbraw/zinc/19/95/98/776199598.db2.gz MXRQICUNILITLW-CYBMUJFWSA-N -1 3 285.372 2.866 20 30 CFEDHM C=CC[C@H](CCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227612948 776244079 /nfs/dbraw/zinc/24/40/79/776244079.db2.gz MVVAPYNOOGGUCG-MRVPVSSYSA-N -1 3 264.354 2.765 20 30 CFEDHM C=C[C@H](C#CC(C)(C)C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616387 776245507 /nfs/dbraw/zinc/24/55/07/776245507.db2.gz OZAYUOFLMXDQHW-SECBINFHSA-N -1 3 288.376 2.625 20 30 CFEDHM C=C[C@H](Oc1c(C(C)=O)ccc([O-])c1CCC)C(=O)OC ZINC001228133458 776403966 /nfs/dbraw/zinc/40/39/66/776403966.db2.gz HABMUDKFSZACAE-AWEZNQCLSA-N -1 3 292.331 2.654 20 30 CFEDHM C#CC(C#C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228135626 776405139 /nfs/dbraw/zinc/40/51/39/776405139.db2.gz GZWJGDISRPESIZ-UHFFFAOYSA-N -1 3 256.301 2.561 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621856 776544916 /nfs/dbraw/zinc/54/49/16/776544916.db2.gz DBFKBNVDWILVAR-FZMZJTMJSA-N -1 3 284.311 2.988 20 30 CFEDHM C=CC[C@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228700605 776576125 /nfs/dbraw/zinc/57/61/25/776576125.db2.gz UKYIPCYRRQJXEW-LBPRGKRZSA-N -1 3 258.325 2.846 20 30 CFEDHM CC#C[C@H](CC)Oc1ncc(Br)cc1[O-] ZINC001228956436 776669434 /nfs/dbraw/zinc/66/94/34/776669434.db2.gz PBIPUHFOSYVHAX-VIFPVBQESA-N -1 3 270.126 2.730 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853956 776635334 /nfs/dbraw/zinc/63/53/34/776635334.db2.gz MYOMCHDGXCDVAO-BMIGLBTASA-N -1 3 256.301 2.702 20 30 CFEDHM C#C[C@@H](CCC)Oc1ncc(Br)cc1[O-] ZINC001228956878 776669686 /nfs/dbraw/zinc/66/96/86/776669686.db2.gz RUSPXZFONLTJIS-VIFPVBQESA-N -1 3 270.126 2.730 20 30 CFEDHM N#C[C@H]1CC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229100257 776717232 /nfs/dbraw/zinc/71/72/32/776717232.db2.gz QYMHKKFSTCWPMC-IONNQARKSA-N -1 3 298.136 2.931 20 30 CFEDHM C#C[C@@H](CC)Oc1cccc([O-])c1Br ZINC001229139900 776732549 /nfs/dbraw/zinc/73/25/49/776732549.db2.gz NUILWEAIJMGNPC-QMMMGPOBSA-N -1 3 255.111 2.945 20 30 CFEDHM C=C1CCC(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000724455913 776778398 /nfs/dbraw/zinc/77/83/98/776778398.db2.gz AVSYJLXVVMXAMA-UHFFFAOYSA-N -1 3 261.321 2.574 20 30 CFEDHM C=CC[C@H](Oc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC001229342262 776785536 /nfs/dbraw/zinc/78/55/36/776785536.db2.gz QBFOHSLDLVAYEK-LBPRGKRZSA-N -1 3 288.351 2.855 20 30 CFEDHM C=CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC001229342262 776785538 /nfs/dbraw/zinc/78/55/38/776785538.db2.gz QBFOHSLDLVAYEK-LBPRGKRZSA-N -1 3 288.351 2.855 20 30 CFEDHM C=C[C@@H](CCC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230791925 777065659 /nfs/dbraw/zinc/06/56/59/777065659.db2.gz JSXQXOUAPVHGKF-QMMMGPOBSA-N -1 3 252.339 2.564 20 30 CFEDHM N#CC1CC(Oc2[n-]c(=O)nc3cccc(Cl)c32)C1 ZINC001230887237 777082210 /nfs/dbraw/zinc/08/22/10/777082210.db2.gz XJRFMMLKNRERJM-UHFFFAOYSA-N -1 3 275.695 2.670 20 30 CFEDHM C#C[C@H](CCCCC)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231074844 777134196 /nfs/dbraw/zinc/13/41/96/777134196.db2.gz YUGKGMMNIGGVNH-CYBMUJFWSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@H](CCCCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074844 777134200 /nfs/dbraw/zinc/13/42/00/777134200.db2.gz YUGKGMMNIGGVNH-CYBMUJFWSA-N -1 3 270.336 2.828 20 30 CFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C#N ZINC001231077161 777134217 /nfs/dbraw/zinc/13/42/17/777134217.db2.gz RPGAHBDSEXISRG-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM CC#C[C@@H](CC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231088402 777138153 /nfs/dbraw/zinc/13/81/53/777138153.db2.gz PEXDECVHTUKYSQ-SECBINFHSA-N -1 3 297.738 2.798 20 30 CFEDHM C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450951 777221278 /nfs/dbraw/zinc/22/12/78/777221278.db2.gz IVQHXOJMUKEDQJ-UHFFFAOYSA-N -1 3 296.326 2.594 20 30 CFEDHM C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450951 777221288 /nfs/dbraw/zinc/22/12/88/777221288.db2.gz IVQHXOJMUKEDQJ-UHFFFAOYSA-N -1 3 296.326 2.594 20 30 CFEDHM C=CCOc1ccccc1CN=c1[n-]nc(C)n1C1CC1 ZINC000340705337 777593727 /nfs/dbraw/zinc/59/37/27/777593727.db2.gz XFCZXSSHRCZSPZ-UHFFFAOYSA-N -1 3 284.363 2.520 20 30 CFEDHM CC1(C#N)CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334957 777894294 /nfs/dbraw/zinc/89/42/94/777894294.db2.gz BARPZSOMQXSPNB-UHFFFAOYSA-N -1 3 266.291 2.796 20 30 CFEDHM CN(Cc1cnc2ccccn12)Cc1ccc(C#N)cc1[O-] ZINC001233383304 777924638 /nfs/dbraw/zinc/92/46/38/777924638.db2.gz DGLQGANNZICOBF-UHFFFAOYSA-N -1 3 292.342 2.544 20 30 CFEDHM CN(CCC#N)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233451281 777957389 /nfs/dbraw/zinc/95/73/89/777957389.db2.gz DZQXUVNTOAJUBP-UHFFFAOYSA-N -1 3 258.243 2.756 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1cnn(C)c1C ZINC001233799317 778080555 /nfs/dbraw/zinc/08/05/55/778080555.db2.gz HTIYSUSOUSOBKN-SXGUVYOMSA-N -1 3 289.335 2.685 20 30 CFEDHM CCC(=O)[C@@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801493 778080967 /nfs/dbraw/zinc/08/09/67/778080967.db2.gz AQWWWZSFXNIBLV-KMHUVPDISA-N -1 3 265.309 2.640 20 30 CFEDHM CCC[C@H](CC(=O)OC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233804468 778082036 /nfs/dbraw/zinc/08/20/36/778082036.db2.gz ZTVBSHLZYWNSGF-HMHNVIDESA-N -1 3 295.335 2.614 20 30 CFEDHM COC(=O)C[C@H]1CCC[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234143794 778174157 /nfs/dbraw/zinc/17/41/57/778174157.db2.gz GRFLTVCLLNYWJQ-SMDDNHRTSA-N -1 3 289.331 2.765 20 30 CFEDHM CC/C=C\CCOC(=O)[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144636 778175085 /nfs/dbraw/zinc/17/50/85/778175085.db2.gz SAWZHMYFXDXHKB-QMAVJUDZSA-N -1 3 289.331 2.931 20 30 CFEDHM N#Cc1cc([O-])cc(O[C@H]2COCc3ccccc32)c1 ZINC001234144959 778176374 /nfs/dbraw/zinc/17/63/74/778176374.db2.gz YGGVKLRMAZQOEF-INIZCTEOSA-N -1 3 267.284 2.914 20 30 CFEDHM CCC#C[C@H](C)Oc1ncc(Br)cc1[O-] ZINC001228956407 778214777 /nfs/dbraw/zinc/21/47/77/778214777.db2.gz OTRKJILPZVIYGA-QMMMGPOBSA-N -1 3 270.126 2.730 20 30 CFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccn1 ZINC001234510869 778240603 /nfs/dbraw/zinc/24/06/03/778240603.db2.gz HDTGWDGQDWLGNJ-SNVBAGLBSA-N -1 3 292.298 2.742 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CCCC[C@@H]3F)c12 ZINC001234514480 778241370 /nfs/dbraw/zinc/24/13/70/778241370.db2.gz WNBVWOJUPHOVPI-JQWIXIFHSA-N -1 3 287.294 2.867 20 30 CFEDHM COc1ccc2ccc([O-])c(CN3CC(C)(C#N)C3)c2c1 ZINC001234526500 778244011 /nfs/dbraw/zinc/24/40/11/778244011.db2.gz WMDPVDMZDZBHPV-UHFFFAOYSA-N -1 3 282.343 2.899 20 30 CFEDHM C#C[C@H](CC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234792254 778297673 /nfs/dbraw/zinc/29/76/73/778297673.db2.gz XVJJSGPMJHYJFC-LLVKDONJSA-N -1 3 262.305 2.702 20 30 CFEDHM N#Cc1ncc(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212005278 778323477 /nfs/dbraw/zinc/32/34/77/778323477.db2.gz FBEMCJLFVAUHIG-UHFFFAOYSA-N -1 3 265.194 2.820 20 30 CFEDHM C#C[C@H](CCCC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234921809 778329124 /nfs/dbraw/zinc/32/91/24/778329124.db2.gz MBKYYCIHAARSLC-SNVBAGLBSA-N -1 3 278.377 2.791 20 30 CFEDHM CC#CC[C@H](CC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234923882 778330804 /nfs/dbraw/zinc/33/08/04/778330804.db2.gz RWOXKQQDGKTCGT-JTQLQIEISA-N -1 3 278.377 2.791 20 30 CFEDHM N#Cc1ccc(C(F)(F)F)nc1-c1cncc([O-])c1 ZINC001236575161 778880627 /nfs/dbraw/zinc/88/06/27/778880627.db2.gz HQNUTSZPJBANIC-UHFFFAOYSA-N -1 3 265.194 2.740 20 30 CFEDHM CN(Cc1ccc(Cl)nc1)Cc1ccc(C#N)cc1[O-] ZINC001233387062 779038514 /nfs/dbraw/zinc/03/85/14/779038514.db2.gz SUFCKLWQCWFUMS-UHFFFAOYSA-N -1 3 287.750 2.944 20 30 CFEDHM N#CCCN(Cc1occc1[S-])Cc1cccnc1 ZINC001237182095 779038962 /nfs/dbraw/zinc/03/89/62/779038962.db2.gz QNTJNDWSXWEFIT-UHFFFAOYSA-N -1 3 273.361 2.879 20 30 CFEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccnc1F ZINC001234144366 779141606 /nfs/dbraw/zinc/14/16/06/779141606.db2.gz MQMXYPCUDGBKOH-SECBINFHSA-N -1 3 258.252 2.938 20 30 CFEDHM CC(C)CCOC(=O)[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144911 779141662 /nfs/dbraw/zinc/14/16/62/779141662.db2.gz XGTLLWCVYJRBTO-NSHDSACASA-N -1 3 277.320 2.620 20 30 CFEDHM COc1cc(-c2ccc(C#N)cc2C#N)ccc1[O-] ZINC001240616325 780292748 /nfs/dbraw/zinc/29/27/48/780292748.db2.gz SXHMDOGDRGLGAR-UHFFFAOYSA-N -1 3 250.257 2.811 20 30 CFEDHM CCCCCCN([O-])C(=O)CNC(=O)CC1CCCCC1 ZINC001161826573 780548467 /nfs/dbraw/zinc/54/84/67/780548467.db2.gz GEHBDMDIVGYLQR-UHFFFAOYSA-N -1 3 298.427 2.871 20 30 CFEDHM COC(OC)c1c(/C=N/O)ccnc1-c1ccccc1[O-] ZINC001241008423 780588962 /nfs/dbraw/zinc/58/89/62/780588962.db2.gz PJPRRFVZLPVMTC-RQZCQDPDSA-N -1 3 288.303 2.554 20 30 CFEDHM N#Cc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccn1 ZINC001241200062 780700611 /nfs/dbraw/zinc/70/06/11/780700611.db2.gz NQXNGUUJOYGSRC-UHFFFAOYSA-N -1 3 251.314 2.916 20 30 CFEDHM C=C(C)c1cncc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444029 780894171 /nfs/dbraw/zinc/89/41/71/780894171.db2.gz NIBLPLDCTXNMSR-UHFFFAOYSA-N -1 3 263.304 2.962 20 30 CFEDHM C=C(C)c1cncc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444029 780894174 /nfs/dbraw/zinc/89/41/74/780894174.db2.gz NIBLPLDCTXNMSR-UHFFFAOYSA-N -1 3 263.304 2.962 20 30 CFEDHM N#CCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241444927 780894957 /nfs/dbraw/zinc/89/49/57/780894957.db2.gz ZQBZVTISLRFNOX-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241444927 780894962 /nfs/dbraw/zinc/89/49/62/780894962.db2.gz ZQBZVTISLRFNOX-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(CC#N)c1 ZINC001241445911 780898880 /nfs/dbraw/zinc/89/88/80/780898880.db2.gz VJOVNHAPSBMXPS-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(CC#N)c1 ZINC001241445911 780898887 /nfs/dbraw/zinc/89/88/87/780898887.db2.gz VJOVNHAPSBMXPS-UHFFFAOYSA-N -1 3 291.314 2.608 20 30 CFEDHM C#Cc1cccc(-c2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001241921381 781183390 /nfs/dbraw/zinc/18/33/90/781183390.db2.gz AHBZZFMCQOMUOB-UHFFFAOYSA-N -1 3 276.299 2.524 20 30 CFEDHM C#Cc1cccc(-c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001241921381 781183394 /nfs/dbraw/zinc/18/33/94/781183394.db2.gz AHBZZFMCQOMUOB-UHFFFAOYSA-N -1 3 276.299 2.524 20 30 CFEDHM C#C[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000709582781 781314603 /nfs/dbraw/zinc/31/46/03/781314603.db2.gz IBKYOHMTKGAZRH-JTQLQIEISA-N -1 3 263.724 2.531 20 30 CFEDHM C#Cc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001242296820 781376528 /nfs/dbraw/zinc/37/65/28/781376528.db2.gz YDADWZLGHZWSRM-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001242296820 781376535 /nfs/dbraw/zinc/37/65/35/781376535.db2.gz YDADWZLGHZWSRM-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM Cc1ccc(C2=CC(=O)CC(C)(C)C2)cc1-c1nnn[n-]1 ZINC001242317876 781396685 /nfs/dbraw/zinc/39/66/85/781396685.db2.gz FNOJPBHRWFBIMJ-UHFFFAOYSA-N -1 3 282.347 2.948 20 30 CFEDHM Cc1ccc(C2=CC(=O)CC(C)(C)C2)cc1-c1nn[n-]n1 ZINC001242317876 781396694 /nfs/dbraw/zinc/39/66/94/781396694.db2.gz FNOJPBHRWFBIMJ-UHFFFAOYSA-N -1 3 282.347 2.948 20 30 CFEDHM N#Cc1cc(-c2ccccc2CN2CCOCC2)ccc1[O-] ZINC001242565360 781604747 /nfs/dbraw/zinc/60/47/47/781604747.db2.gz ZEYHTHKYZGYVAG-UHFFFAOYSA-N -1 3 294.354 2.763 20 30 CFEDHM N#Cc1cc(F)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242585210 781618857 /nfs/dbraw/zinc/61/88/57/781618857.db2.gz JULMYXOKSCVLHL-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cc(F)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242585210 781618861 /nfs/dbraw/zinc/61/88/61/781618861.db2.gz JULMYXOKSCVLHL-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccccc1C#N ZINC001242718213 781718678 /nfs/dbraw/zinc/71/86/78/781718678.db2.gz HTEPWJXNJFFJRQ-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccccc1C#N ZINC001242718213 781718685 /nfs/dbraw/zinc/71/86/85/781718685.db2.gz HTEPWJXNJFFJRQ-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM CCc1nnc(-c2cc([O-])ccc2F)c(C#N)c1CC ZINC001242762278 781746553 /nfs/dbraw/zinc/74/65/53/781746553.db2.gz WVTQWABBFNHXLL-UHFFFAOYSA-N -1 3 271.295 2.985 20 30 CFEDHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000594812944 349488475 /nfs/dbraw/zinc/48/84/75/349488475.db2.gz JABKCEHANFFRMY-SECBINFHSA-N -1 3 286.422 2.723 20 30 CFEDHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000594812416 349488558 /nfs/dbraw/zinc/48/85/58/349488558.db2.gz DYFWGMRCRAEZLV-SNVBAGLBSA-N -1 3 298.383 2.800 20 30 CFEDHM CCCn1c(SCCc2ccc(C#N)cc2)n[n-]c1=O ZINC000594880215 349492501 /nfs/dbraw/zinc/49/25/01/349492501.db2.gz FBWZSHRREKIFTN-UHFFFAOYSA-N -1 3 288.376 2.600 20 30 CFEDHM CCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354469472 529611854 /nfs/dbraw/zinc/61/18/54/529611854.db2.gz PRCPAFMQKNWYFU-CYBMUJFWSA-N -1 3 251.289 2.529 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000295013616 199299549 /nfs/dbraw/zinc/29/95/49/199299549.db2.gz QZOUXVQZVGSHJS-UHFFFAOYSA-N -1 3 274.324 2.914 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000295013616 199299551 /nfs/dbraw/zinc/29/95/51/199299551.db2.gz QZOUXVQZVGSHJS-UHFFFAOYSA-N -1 3 274.324 2.914 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000295013616 199299553 /nfs/dbraw/zinc/29/95/53/199299553.db2.gz QZOUXVQZVGSHJS-UHFFFAOYSA-N -1 3 274.324 2.914 20 30 CFEDHM COc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000075504776 347080274 /nfs/dbraw/zinc/08/02/74/347080274.db2.gz JJGVFEQAGRQNDF-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000088475786 260232723 /nfs/dbraw/zinc/23/27/23/260232723.db2.gz MVLKCRWYYFMSAB-CYBMUJFWSA-N -1 3 282.365 2.518 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCc3ccccc32)c1[O-] ZINC000017701400 346239930 /nfs/dbraw/zinc/23/99/30/346239930.db2.gz ZHMTVJWONMHHRG-ARFNDINWSA-N -1 3 282.343 2.694 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000078266748 347236721 /nfs/dbraw/zinc/23/67/21/347236721.db2.gz OPFGYIKHCDEZLX-NSHDSACASA-N -1 3 296.326 2.763 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000122791808 347817278 /nfs/dbraw/zinc/81/72/78/347817278.db2.gz XRFSRLWCFTWLNZ-UHFFFAOYSA-N -1 3 294.282 2.637 20 30 CFEDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151004450 347958444 /nfs/dbraw/zinc/95/84/44/347958444.db2.gz VHKZEUSITFFKBW-GWCFXTLKSA-N -1 3 296.367 2.554 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1ccc(C#N)cc1 ZINC000179548918 348121677 /nfs/dbraw/zinc/12/16/77/348121677.db2.gz GKVFDQCZETUBDW-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM N#Cc1ccccc1COc1ccc2c([O-])coc2c1 ZINC000057524109 539606383 /nfs/dbraw/zinc/60/63/83/539606383.db2.gz YXOGRPDSXGGXBR-UHFFFAOYSA-N -1 3 265.268 2.712 20 30 CFEDHM CCc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354479093 348501217 /nfs/dbraw/zinc/50/12/17/348501217.db2.gz VUZKMBNXWVGLSW-ZDUSSCGKSA-N -1 3 251.289 2.529 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCCCC2 ZINC000404756986 348593686 /nfs/dbraw/zinc/59/36/86/348593686.db2.gz PIMZFFYNSMFWLM-HNNXBMFYSA-N -1 3 292.404 2.999 20 30 CFEDHM CN(C)Cc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589168508 348815457 /nfs/dbraw/zinc/81/54/57/348815457.db2.gz UHRODMJKMZPMLM-UHFFFAOYSA-N -1 3 295.342 2.578 20 30 CFEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000589487002 348835364 /nfs/dbraw/zinc/83/53/64/348835364.db2.gz AFSNCBLJOBAUGB-AWEZNQCLSA-N -1 3 278.739 2.811 20 30 CFEDHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000590739734 348940211 /nfs/dbraw/zinc/94/02/11/348940211.db2.gz IPVZGVQVZLOWCS-CQSZACIVSA-N -1 3 294.420 2.661 20 30 CFEDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593524983 349290828 /nfs/dbraw/zinc/29/08/28/349290828.db2.gz YIQZVXDAAMDNCF-JTQLQIEISA-N -1 3 286.422 2.723 20 30 CFEDHM CC1CCC(C[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593536199 349291433 /nfs/dbraw/zinc/29/14/33/349291433.db2.gz VIADPBIPQFZOHM-UHFFFAOYSA-N -1 3 298.433 2.724 20 30 CFEDHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593552538 349292339 /nfs/dbraw/zinc/29/23/39/349292339.db2.gz LUIDWDGUTCGNNX-UHFFFAOYSA-N -1 3 286.422 2.867 20 30 CFEDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccsc2C#N)C[C@@H](C)C1 ZINC000593559369 349292898 /nfs/dbraw/zinc/29/28/98/349292898.db2.gz ZOUTUMIHGFSHKZ-UWVGGRQHSA-N -1 3 298.433 2.723 20 30 CFEDHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593563690 349293995 /nfs/dbraw/zinc/29/39/95/349293995.db2.gz RFDMUBRBGHVJSV-GFCCVEGCSA-N -1 3 298.433 2.867 20 30 CFEDHM CCC(C#N)=C([O-])N=c1cc(-c2cc(C)c(C)cc2C)[nH][nH]1 ZINC000593893450 349333504 /nfs/dbraw/zinc/33/35/04/349333504.db2.gz ILLZYRXXYDNBOH-CYBMUJFWSA-N -1 3 296.374 2.912 20 30 CFEDHM N#CC1(CC(=O)Nc2cc(Cl)ccc2[O-])CCOCC1 ZINC000597422918 350095321 /nfs/dbraw/zinc/09/53/21/350095321.db2.gz YISLOEQTNZOHDZ-UHFFFAOYSA-N -1 3 294.738 2.695 20 30 CFEDHM C[C@@H](CC#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000597443230 350097925 /nfs/dbraw/zinc/09/79/25/350097925.db2.gz QXFPUZMMUBXJND-ZETCQYMHSA-N -1 3 283.125 2.643 20 30 CFEDHM C[C@H](CC#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000597443229 350098083 /nfs/dbraw/zinc/09/80/83/350098083.db2.gz QXFPUZMMUBXJND-SSDOTTSWSA-N -1 3 283.125 2.643 20 30 CFEDHM N#CCCN(CCC#N)Cc1cc([O-])ccc1Cl ZINC000599341432 350418267 /nfs/dbraw/zinc/41/82/67/350418267.db2.gz BCJKHSAMPZBNHC-UHFFFAOYSA-N -1 3 263.728 2.675 20 30 CFEDHM CCc1[n-]n(-c2cccc(C#N)c2)c(=O)c1C(C)C ZINC000601930516 350805187 /nfs/dbraw/zinc/80/51/87/350805187.db2.gz HKXFGOISOBMXLI-CQSZACIVSA-N -1 3 255.321 2.943 20 30 CFEDHM Cc1conc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000602225456 350854405 /nfs/dbraw/zinc/85/44/05/350854405.db2.gz DGASLOQGHGJRBP-UHFFFAOYSA-N -1 3 261.306 2.785 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2nn(C)cc2Cl)s1 ZINC000602249154 350855664 /nfs/dbraw/zinc/85/56/64/350855664.db2.gz RYIISIZRNIQHCS-UHFFFAOYSA-N -1 3 294.767 2.821 20 30 CFEDHM N#Cc1ccnc(Sc2cccc([O-])c2)c1[N+](=O)[O-] ZINC000130419286 187493043 /nfs/dbraw/zinc/49/30/43/187493043.db2.gz NTGLKJFIBIZFJR-UHFFFAOYSA-N -1 3 273.273 2.718 20 30 CFEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccncc2F)c(F)c1 ZINC000123019670 187066444 /nfs/dbraw/zinc/06/64/44/187066444.db2.gz QGHXLWUKGGYPSQ-UHFFFAOYSA-N -1 3 277.205 2.623 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000124144859 187124108 /nfs/dbraw/zinc/12/41/08/187124108.db2.gz OOYCAKQTKVZJBL-GOUXZDJPSA-N -1 3 257.333 2.769 20 30 CFEDHM C=CCCCNC(=O)c1cc(SC)ccc1[O-] ZINC000614209602 352060665 /nfs/dbraw/zinc/06/06/65/352060665.db2.gz KNKUPRRMOVLOGT-UHFFFAOYSA-N -1 3 251.351 2.810 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cccc(OC)c2[O-])C1 ZINC000617787183 352647285 /nfs/dbraw/zinc/64/72/85/352647285.db2.gz ITSAXPMRLKIPHD-LBPRGKRZSA-N -1 3 275.348 2.829 20 30 CFEDHM CC(C)CO[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000153459489 188083591 /nfs/dbraw/zinc/08/35/91/188083591.db2.gz DXPTWAVNLKEBNL-UHFFFAOYSA-N -1 3 290.363 2.811 20 30 CFEDHM Cn1cc([N-]c2ccc(C#N)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC000292418390 198280711 /nfs/dbraw/zinc/28/07/11/198280711.db2.gz TWDOXRLSHLHOKS-UHFFFAOYSA-N -1 3 283.291 2.821 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cc(F)c[n-]c1=O ZINC000621879173 353437527 /nfs/dbraw/zinc/43/75/27/353437527.db2.gz OWKINSHIDKVCLN-UHFFFAOYSA-N -1 3 266.316 2.745 20 30 CFEDHM C=CC[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000628484344 354603275 /nfs/dbraw/zinc/60/32/75/354603275.db2.gz KQNUMWNJQBRGOR-LBPRGKRZSA-N -1 3 282.343 2.566 20 30 CFEDHM C=CCn1c(S[C@@H]2CCCC[C@H]2C)n[n-]c1=O ZINC000629162726 354762173 /nfs/dbraw/zinc/76/21/73/354762173.db2.gz ZVAHNPNACVNZLG-NXEZZACHSA-N -1 3 253.371 2.841 20 30 CFEDHM C#CCOc1ccc(F)cc1NC([O-])=NOC1CCCC1 ZINC000271775837 191318868 /nfs/dbraw/zinc/31/88/68/191318868.db2.gz DZDPLMDFFWYJON-UHFFFAOYSA-N -1 3 292.310 2.833 20 30 CFEDHM C#CCOc1ccc(F)cc1NC(=O)[N-]OC1CCCC1 ZINC000271775837 191318871 /nfs/dbraw/zinc/31/88/71/191318871.db2.gz DZDPLMDFFWYJON-UHFFFAOYSA-N -1 3 292.310 2.833 20 30 CFEDHM N#Cc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1F ZINC000335872221 283088550 /nfs/dbraw/zinc/08/85/50/283088550.db2.gz OIWDAOWPRFDFFT-UHFFFAOYSA-N -1 3 296.301 2.996 20 30 CFEDHM C=CCCC(C)(C)CNC(=O)NCc1ncccc1[O-] ZINC000633411416 355895054 /nfs/dbraw/zinc/89/50/54/355895054.db2.gz RMTPAAGSHGNVLF-UHFFFAOYSA-N -1 3 277.368 2.579 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cccc2ccncc21 ZINC000676233826 541735896 /nfs/dbraw/zinc/73/58/96/541735896.db2.gz NGHYLSBGMZZXHJ-UHFFFAOYSA-N -1 3 262.334 2.553 20 30 CFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000012906250 371997670 /nfs/dbraw/zinc/99/76/70/371997670.db2.gz USQMBFQATPPSPV-UHFFFAOYSA-N -1 3 254.249 2.701 20 30 CFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000012906250 371997676 /nfs/dbraw/zinc/99/76/76/371997676.db2.gz USQMBFQATPPSPV-UHFFFAOYSA-N -1 3 254.249 2.701 20 30 CFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000012906250 371997678 /nfs/dbraw/zinc/99/76/78/371997678.db2.gz USQMBFQATPPSPV-UHFFFAOYSA-N -1 3 254.249 2.701 20 30 CFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041493631 372843194 /nfs/dbraw/zinc/84/31/94/372843194.db2.gz CHUZWCDWGGFLDW-CQSZACIVSA-N -1 3 279.299 2.530 20 30 CFEDHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(C#N)cc1 ZINC000045217937 373017013 /nfs/dbraw/zinc/01/70/13/373017013.db2.gz JJAMECBUOJMODX-NSHDSACASA-N -1 3 266.300 2.755 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@@H]1c1ccco1 ZINC000049398941 373292450 /nfs/dbraw/zinc/29/24/50/373292450.db2.gz IPKXDDJCIUELRU-WDSKDSINSA-N -1 3 286.213 2.808 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@@H]1c1ccco1 ZINC000049398941 373292455 /nfs/dbraw/zinc/29/24/55/373292455.db2.gz IPKXDDJCIUELRU-WDSKDSINSA-N -1 3 286.213 2.808 20 30 CFEDHM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccccn1 ZINC000065650479 373897431 /nfs/dbraw/zinc/89/74/31/373897431.db2.gz LQTGAYPLSXWGBF-CYBMUJFWSA-N -1 3 281.271 2.788 20 30 CFEDHM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000451748417 383697696 /nfs/dbraw/zinc/69/76/96/383697696.db2.gz MIXORPDZSPLZSB-QWRGUYRKSA-N -1 3 298.433 2.724 20 30 CFEDHM CN(C)c1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000073973473 374398561 /nfs/dbraw/zinc/39/85/61/374398561.db2.gz HJBFEMBBQNZHGX-UHFFFAOYSA-N -1 3 297.318 2.767 20 30 CFEDHM CN(C)c1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000073973473 374398566 /nfs/dbraw/zinc/39/85/66/374398566.db2.gz HJBFEMBBQNZHGX-UHFFFAOYSA-N -1 3 297.318 2.767 20 30 CFEDHM CN(C)c1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000073973473 374398572 /nfs/dbraw/zinc/39/85/72/374398572.db2.gz HJBFEMBBQNZHGX-UHFFFAOYSA-N -1 3 297.318 2.767 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)CC2CC2)c1 ZINC000094107408 375342383 /nfs/dbraw/zinc/34/23/83/375342383.db2.gz HTEKIHVSPYXQKT-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM Cc1cn2cc(C(=O)[N-]c3sccc3C#N)sc2n1 ZINC000505390191 247136019 /nfs/dbraw/zinc/13/60/19/247136019.db2.gz UFXQONFOVAAWAP-UHFFFAOYSA-N -1 3 288.357 2.890 20 30 CFEDHM CC(C)(C)OC(=O)N1CC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000110129430 375827445 /nfs/dbraw/zinc/82/74/45/375827445.db2.gz MJWJBDSPJBYGNT-VZWMTCDZSA-N -1 3 290.363 2.821 20 30 CFEDHM COC(=O)N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000122264592 376924796 /nfs/dbraw/zinc/92/47/96/376924796.db2.gz XZOARWFEWWFASX-SXGWCWSVSA-N -1 3 296.754 2.695 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000122702333 376937554 /nfs/dbraw/zinc/93/75/54/376937554.db2.gz SJCLYHISGITPGR-SECBINFHSA-N -1 3 273.423 2.898 20 30 CFEDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000132042123 377796571 /nfs/dbraw/zinc/79/65/71/377796571.db2.gz WDONZQQBFDBXJQ-GXSJLCMTSA-N -1 3 298.795 2.679 20 30 CFEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1nc(C(C)(C)C)no1 ZINC000329896653 378509164 /nfs/dbraw/zinc/50/91/64/378509164.db2.gz COLUKBDAUGXJRP-ZCFIWIBFSA-N -1 3 296.352 2.595 20 30 CFEDHM Cc1csc(C(C)(C)NC(=O)c2csc(=O)[n-]2)n1 ZINC000329909917 378512408 /nfs/dbraw/zinc/51/24/08/378512408.db2.gz MUTNFUQZXYNDLA-UHFFFAOYSA-N -1 3 283.378 2.854 20 30 CFEDHM N#C[C@H](NC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329915612 378513092 /nfs/dbraw/zinc/51/30/92/378513092.db2.gz PSPYGYIEESKDDV-VIFPVBQESA-N -1 3 265.338 2.626 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000330612927 378589997 /nfs/dbraw/zinc/58/99/97/378589997.db2.gz YEHMXDISMYCTBM-WCQYABFASA-N -1 3 258.321 2.951 20 30 CFEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1F ZINC000161319809 378839006 /nfs/dbraw/zinc/83/90/06/378839006.db2.gz DFRVWROTKALHRF-CYBMUJFWSA-N -1 3 270.263 2.526 20 30 CFEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1CC(C)C ZINC000165457100 379037130 /nfs/dbraw/zinc/03/71/30/379037130.db2.gz QXXDFYKGPIDCSW-ZDUSSCGKSA-N -1 3 296.374 2.987 20 30 CFEDHM CC(C)(C)n1cc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000048540618 412906842 /nfs/dbraw/zinc/90/68/42/412906842.db2.gz QFYSPMDYMLQVPU-LBPRGKRZSA-N -1 3 268.320 2.523 20 30 CFEDHM CC(C)(C)n1cc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000048540620 412908145 /nfs/dbraw/zinc/90/81/45/412908145.db2.gz QFYSPMDYMLQVPU-GFCCVEGCSA-N -1 3 268.320 2.523 20 30 CFEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000334462139 379341971 /nfs/dbraw/zinc/34/19/71/379341971.db2.gz QCSIZNZOZJEOLA-CYBMUJFWSA-N -1 3 270.263 2.526 20 30 CFEDHM C[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000334439881 379302686 /nfs/dbraw/zinc/30/26/86/379302686.db2.gz VIFLGFWWEKMHBC-SECBINFHSA-N -1 3 294.763 2.684 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCCOC1 ZINC000171647936 379364161 /nfs/dbraw/zinc/36/41/61/379364161.db2.gz UDJXBJLNKNGRGQ-LLUUXILJSA-N -1 3 284.153 2.753 20 30 CFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335504212 379417357 /nfs/dbraw/zinc/41/73/57/379417357.db2.gz NHVDOXMZOGFPIP-SMDDNHRTSA-N -1 3 280.327 2.967 20 30 CFEDHM Cc1cc(C)c(-c2cc(=NC(=O)[C@H](C)C#N)[nH][n-]2)cc1C ZINC000335998436 380215743 /nfs/dbraw/zinc/21/57/43/380215743.db2.gz FKYIJZQAMWTXEI-GFCCVEGCSA-N -1 3 282.347 2.522 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000336573485 380488003 /nfs/dbraw/zinc/48/80/03/380488003.db2.gz DNBYEVDDXKHORL-UHFFFAOYSA-N -1 3 262.265 2.717 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180853393 380707798 /nfs/dbraw/zinc/70/77/98/380707798.db2.gz CSGTWWICOJNAHU-LLVKDONJSA-N -1 3 298.364 2.618 20 30 CFEDHM CC(C)O[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000295534399 380923237 /nfs/dbraw/zinc/92/32/37/380923237.db2.gz JZGHQGBWCBSGNO-UHFFFAOYSA-N -1 3 276.336 2.564 20 30 CFEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000408408628 380924522 /nfs/dbraw/zinc/92/45/22/380924522.db2.gz PQIPRNYXGXSNLO-UKRRQHHQSA-N -1 3 284.359 2.693 20 30 CFEDHM CC1(C)C[C@H](/N=C/c2ccc(O)c([O-])c2O)C(C)(C)O1 ZINC000182048465 380976008 /nfs/dbraw/zinc/97/60/08/380976008.db2.gz PQIXHIQDXOMTDY-AXLKIAQESA-N -1 3 279.336 2.568 20 30 CFEDHM C=C(C)COc1cccc(NC(=O)[N-]OCC)c1 ZINC000182973615 381192740 /nfs/dbraw/zinc/19/27/40/381192740.db2.gz AOIXVZKXPVOAEV-UHFFFAOYSA-N -1 3 250.298 2.715 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1cc2nccnc2cc1F ZINC000347962070 381436298 /nfs/dbraw/zinc/43/62/98/381436298.db2.gz HTCOGVLWLPSNDL-UHFFFAOYSA-N -1 3 298.302 2.954 20 30 CFEDHM N#Cc1cccc(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000412978620 381517278 /nfs/dbraw/zinc/51/72/78/381517278.db2.gz BHSGJHSPMVXGBW-UHFFFAOYSA-N -1 3 267.288 2.510 20 30 CFEDHM N#CC(=C([O-])c1ccnc2ccncc21)c1ccccn1 ZINC000355107784 381615016 /nfs/dbraw/zinc/61/50/16/381615016.db2.gz ZGSROKKTOVHFOT-GFCCVEGCSA-N -1 3 274.283 2.515 20 30 CFEDHM Cc1c(Cl)cnc(NCc2ncccc2[O-])c1C#N ZINC000359895748 381665241 /nfs/dbraw/zinc/66/52/41/381665241.db2.gz GFQGSFHJOABSJL-UHFFFAOYSA-N -1 3 274.711 2.628 20 30 CFEDHM CC(C)=CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000360031220 381739864 /nfs/dbraw/zinc/73/98/64/381739864.db2.gz ZULACXASOWBDJL-UHFFFAOYSA-N -1 3 298.795 2.846 20 30 CFEDHM C#CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000291243504 381721064 /nfs/dbraw/zinc/72/10/64/381721064.db2.gz LJGFZBBXQNXLLM-NXEZZACHSA-N -1 3 284.142 2.778 20 30 CFEDHM N#CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000355667711 381791161 /nfs/dbraw/zinc/79/11/61/381791161.db2.gz FFMGZOPCRWYGKN-UHFFFAOYSA-N -1 3 294.314 2.570 20 30 CFEDHM COc1cc(Cl)cc(CN(C)[C@@H](C)CC#N)c1[O-] ZINC000184688846 262026103 /nfs/dbraw/zinc/02/61/03/262026103.db2.gz FSSQXABHLUIHMS-VIFPVBQESA-N -1 3 268.744 2.788 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)cc1C#N ZINC000292808546 381843727 /nfs/dbraw/zinc/84/37/27/381843727.db2.gz RWCIBRDEMDROFO-SECBINFHSA-N -1 3 265.288 2.797 20 30 CFEDHM COc1ccc(C#N)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417016710 381985637 /nfs/dbraw/zinc/98/56/37/381985637.db2.gz OJFLWEJZQWPQDP-UHFFFAOYSA-N -1 3 296.330 2.552 20 30 CFEDHM Cc1cc(C#N)cc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417027914 381986436 /nfs/dbraw/zinc/98/64/36/381986436.db2.gz CBRTXTVAFYHTIF-UHFFFAOYSA-N -1 3 280.331 2.852 20 30 CFEDHM Cc1cc([N-]C(=O)COc2cc(Cl)cc(C#N)c2)on1 ZINC000352192939 382216658 /nfs/dbraw/zinc/21/66/58/382216658.db2.gz QFKKOKBXALTNEE-UHFFFAOYSA-N -1 3 291.694 2.526 20 30 CFEDHM Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc12 ZINC000188752373 382470509 /nfs/dbraw/zinc/47/05/09/382470509.db2.gz GXIXWOKKOSQHSW-UHFFFAOYSA-N -1 3 292.298 2.701 20 30 CFEDHM N#Cc1cccc(/C=C\C(=O)[N-]OC2CCCC2)c1 ZINC000311273049 382502960 /nfs/dbraw/zinc/50/29/60/382502960.db2.gz BPNMMYAKGROQMY-HJWRWDBZSA-N -1 3 256.305 2.562 20 30 CFEDHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1csc(=O)[n-]1 ZINC000328645719 382559860 /nfs/dbraw/zinc/55/98/60/382559860.db2.gz GNCVRNKIGPSZRL-SSDOTTSWSA-N -1 3 276.308 2.979 20 30 CFEDHM CCc1cccnc1C([O-])=C(C#N)c1ccccn1 ZINC000346926547 382575266 /nfs/dbraw/zinc/57/52/66/382575266.db2.gz WHTCVIXFXWNIHE-GFCCVEGCSA-N -1 3 251.289 2.529 20 30 CFEDHM CCc1ccc(C(=O)NCc2ccc(C#N)cc2)c([O-])c1 ZINC000189269659 382578357 /nfs/dbraw/zinc/57/83/57/382578357.db2.gz NNLAQYZRIDJAEN-UHFFFAOYSA-N -1 3 280.327 2.756 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1C ZINC000190998191 382687798 /nfs/dbraw/zinc/68/77/98/382687798.db2.gz RNDYPKBFCUGLRI-GFCCVEGCSA-N -1 3 290.326 2.767 20 30 CFEDHM N#CC1(NC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000236608665 382897979 /nfs/dbraw/zinc/89/79/79/382897979.db2.gz QWVSXSPXVUJNIG-UHFFFAOYSA-N -1 3 264.712 2.612 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2cccc(C#N)c2C)c1 ZINC000338176589 382942686 /nfs/dbraw/zinc/94/26/86/382942686.db2.gz VLEZSWLXXRQGLA-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000541695060 382965577 /nfs/dbraw/zinc/96/55/77/382965577.db2.gz IVNCQFWPCLRYQB-LBPRGKRZSA-N -1 3 272.348 2.693 20 30 CFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(N(C)C(=O)OC)cc1 ZINC000496236646 383078820 /nfs/dbraw/zinc/07/88/20/383078820.db2.gz WXJPUZUBGWHVPT-JTQLQIEISA-N -1 3 293.323 2.517 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000496236646 383078825 /nfs/dbraw/zinc/07/88/25/383078825.db2.gz WXJPUZUBGWHVPT-JTQLQIEISA-N -1 3 293.323 2.517 20 30 CFEDHM N#CCC1(CNCc2cccc([O-])c2Cl)CC1 ZINC000339384241 383193523 /nfs/dbraw/zinc/19/35/23/383193523.db2.gz CVWJWPSRNLPLPP-UHFFFAOYSA-N -1 3 250.729 2.829 20 30 CFEDHM CCc1ccc(O)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000555529893 383148175 /nfs/dbraw/zinc/14/81/75/383148175.db2.gz IJXWMAUSUKRVLJ-UHFFFAOYSA-N -1 3 296.392 2.636 20 30 CFEDHM N#CC1(NC(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000562686131 383162136 /nfs/dbraw/zinc/16/21/36/383162136.db2.gz HFGFYEGAPJXCBT-UHFFFAOYSA-N -1 3 280.327 2.650 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000450187428 383385224 /nfs/dbraw/zinc/38/52/24/383385224.db2.gz KQBRJIIAVALYNK-UHFFFAOYSA-N -1 3 287.319 2.500 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000450187428 383385229 /nfs/dbraw/zinc/38/52/29/383385229.db2.gz KQBRJIIAVALYNK-UHFFFAOYSA-N -1 3 287.319 2.500 20 30 CFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1F ZINC000570474694 383607027 /nfs/dbraw/zinc/60/70/27/383607027.db2.gz QWACDRKAFAGUFH-LBPRGKRZSA-N -1 3 297.289 2.669 20 30 CFEDHM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1ccccn1 ZINC000429682924 383557487 /nfs/dbraw/zinc/55/74/87/383557487.db2.gz HPTNXOZFPPCCIZ-VIFPVBQESA-N -1 3 279.221 2.919 20 30 CFEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccoc2)n1 ZINC000434629959 383769667 /nfs/dbraw/zinc/76/96/67/383769667.db2.gz RTQJSNUCDLPIPX-LBPRGKRZSA-N -1 3 292.298 2.565 20 30 CFEDHM CCc1cncc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000434630474 383770114 /nfs/dbraw/zinc/77/01/14/383770114.db2.gz TVMJZCYVAFJCHK-ZDUSSCGKSA-N -1 3 251.289 2.529 20 30 CFEDHM CCC(C#N)(CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000528901173 383673002 /nfs/dbraw/zinc/67/30/02/383673002.db2.gz KBFXWJYQMLGQGU-UHFFFAOYSA-N -1 3 250.273 2.800 20 30 CFEDHM C=CCN(CCOC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436583987 383844176 /nfs/dbraw/zinc/84/41/76/383844176.db2.gz OUSOVCJNDQSEAH-UHFFFAOYSA-N -1 3 289.375 2.546 20 30 CFEDHM Cc1cccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1[O-] ZINC000436757590 383889669 /nfs/dbraw/zinc/88/96/69/383889669.db2.gz JGFYYYFBVQCBIV-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM C=CCN(CC=C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436755494 383890530 /nfs/dbraw/zinc/89/05/30/383890530.db2.gz NHFFQIVOWACKEF-UHFFFAOYSA-N -1 3 287.359 2.920 20 30 CFEDHM CCCCOc1ccc(C(=O)N(C)C[C@@H](C)C#N)c([O-])c1 ZINC000436988263 383900728 /nfs/dbraw/zinc/90/07/28/383900728.db2.gz LBYCUZDQLBYCJY-LBPRGKRZSA-N -1 3 290.363 2.803 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000282205584 385247856 /nfs/dbraw/zinc/24/78/56/385247856.db2.gz MEXKLTJLPJSHDJ-UHFFFAOYSA-N -1 3 295.282 2.745 20 30 CFEDHM COCc1nc(C(=O)[N-]c2scc(C)c2C#N)cs1 ZINC000288936514 197196136 /nfs/dbraw/zinc/19/61/36/197196136.db2.gz XGMXWUJAKXSTLS-UHFFFAOYSA-N -1 3 293.373 2.783 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)C1 ZINC000639669042 385652611 /nfs/dbraw/zinc/65/26/11/385652611.db2.gz OQZHKWZZTODKJF-UHFFFAOYSA-N -1 3 286.310 2.906 20 30 CFEDHM C#CCN(C(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC000274089849 385716906 /nfs/dbraw/zinc/71/69/06/385716906.db2.gz MZWGSAZIAYVFGP-UHFFFAOYSA-N -1 3 257.333 2.753 20 30 CFEDHM C#CC(C)(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000288308789 197048752 /nfs/dbraw/zinc/04/87/52/197048752.db2.gz HLAXFZSIEANZKH-UHFFFAOYSA-N -1 3 286.306 2.530 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000116906011 260007848 /nfs/dbraw/zinc/00/78/48/260007848.db2.gz QNXRMMXZMRVZFY-SECBINFHSA-N -1 3 293.310 2.948 20 30 CFEDHM CC#CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000187421679 393553663 /nfs/dbraw/zinc/55/36/63/393553663.db2.gz IKLAERFMVJULOB-UHFFFAOYSA-N -1 3 279.752 2.545 20 30 CFEDHM N#Cc1ccc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)o1 ZINC000410660658 393634867 /nfs/dbraw/zinc/63/48/67/393634867.db2.gz GKEWAUHKVIFGIA-UHFFFAOYSA-N -1 3 292.298 2.549 20 30 CFEDHM CC(C)(C#N)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338804378 393800861 /nfs/dbraw/zinc/80/08/61/393800861.db2.gz PMXVGROIYYUCHK-UHFFFAOYSA-N -1 3 286.253 2.691 20 30 CFEDHM C=C[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338818730 393801886 /nfs/dbraw/zinc/80/18/86/393801886.db2.gz GHNSUHNHSOUGFK-SSDOTTSWSA-N -1 3 259.227 2.715 20 30 CFEDHM C=CCOCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000342951552 393874598 /nfs/dbraw/zinc/87/45/98/393874598.db2.gz LARDIMZQQMUIAS-UHFFFAOYSA-N -1 3 275.226 2.552 20 30 CFEDHM N#CC1(CNC(=O)c2ccc3c(c2[O-])CCCC3)CCC1 ZINC000416349619 393909067 /nfs/dbraw/zinc/90/90/67/393909067.db2.gz ZNLYUHIQZXLWRZ-UHFFFAOYSA-N -1 3 284.359 2.695 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC000120796500 393940703 /nfs/dbraw/zinc/94/07/03/393940703.db2.gz OOERHMSXFMEONV-UHFFFAOYSA-N -1 3 284.315 2.850 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C2CC2)c(C)c1 ZINC000416960312 393946756 /nfs/dbraw/zinc/94/67/56/393946756.db2.gz NVABWLNJAGATJO-CYBMUJFWSA-N -1 3 278.377 2.916 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)CC ZINC000126236392 394023366 /nfs/dbraw/zinc/02/33/66/394023366.db2.gz JGAJGUJKDAOKON-JTQLQIEISA-N -1 3 282.290 2.595 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(F)cccc1CC ZINC000417614009 393983462 /nfs/dbraw/zinc/98/34/62/393983462.db2.gz UZSDARRZQJSRPF-LBPRGKRZSA-N -1 3 265.328 2.897 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(OC)cc1Cl ZINC000417621023 393985132 /nfs/dbraw/zinc/98/51/32/393985132.db2.gz DTPIKYCQZYZFBD-NSHDSACASA-N -1 3 283.755 2.858 20 30 CFEDHM C=CCOc1ccccc1CN[C@@H](C=C)CCC(=O)[O-] ZINC000417630145 393987438 /nfs/dbraw/zinc/98/74/38/393987438.db2.gz SZVNZTHMWLPXCO-AWEZNQCLSA-N -1 3 275.348 2.760 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000432308389 394011275 /nfs/dbraw/zinc/01/12/75/394011275.db2.gz VVBIHUWWYNPFLO-UHFFFAOYSA-N -1 3 296.367 2.578 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129210780 394083839 /nfs/dbraw/zinc/08/38/39/394083839.db2.gz MFZMGTFNGXRYAL-UHFFFAOYSA-N -1 3 256.236 2.655 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(OC)c(OCC)c1 ZINC000493128710 394157617 /nfs/dbraw/zinc/15/76/17/394157617.db2.gz UJRGZLQDJNJADK-ZJNQMXKESA-N -1 3 291.347 2.729 20 30 CFEDHM C=CCN(CCOC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000361076202 394164665 /nfs/dbraw/zinc/16/46/65/394164665.db2.gz MZRLAYVKRPMYTN-UHFFFAOYSA-N -1 3 295.354 2.515 20 30 CFEDHM C=CCC[C@@H](NCc1cc([O-])cc(F)c1)C(=O)OCC ZINC000449651808 394283072 /nfs/dbraw/zinc/28/30/72/394283072.db2.gz AEOPWIWQJMSMDW-CQSZACIVSA-N -1 3 281.327 2.519 20 30 CFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2C[C@@H]2C)no1 ZINC000546473406 394827176 /nfs/dbraw/zinc/82/71/76/394827176.db2.gz PNWBFLCYJYGALP-UFBFGSQYSA-N -1 3 298.346 2.567 20 30 CFEDHM C=CCOc1cccc(CN2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647464009 395344522 /nfs/dbraw/zinc/34/45/22/395344522.db2.gz WYAQLMMGKOPTSL-UHFFFAOYSA-N -1 3 289.375 2.938 20 30 CFEDHM CC(C)Cc1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084060207 397591483 /nfs/dbraw/zinc/59/14/83/397591483.db2.gz TXISBYLJWUKIIE-UHFFFAOYSA-N -1 3 292.389 2.922 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cscn1 ZINC000657036842 413296738 /nfs/dbraw/zinc/29/67/38/413296738.db2.gz OWFGVRXIDUGPHY-WDEREUQCSA-N -1 3 286.422 2.556 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000657190152 413332629 /nfs/dbraw/zinc/33/26/29/413332629.db2.gz YHOIJFJZKIWQBP-UHFFFAOYSA-N -1 3 271.407 2.915 20 30 CFEDHM C=CCN(Cc1ccccc1F)[C@@H](C(=O)[O-])C1CC1 ZINC000652400332 413923689 /nfs/dbraw/zinc/92/36/89/413923689.db2.gz MMABSKXHCKAMDL-CQSZACIVSA-N -1 3 263.312 2.677 20 30 CFEDHM C=CCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000652483738 413977052 /nfs/dbraw/zinc/97/70/52/413977052.db2.gz GYLRXKBYNUOBJD-UHFFFAOYSA-N -1 3 269.291 2.818 20 30 CFEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000654970053 414044015 /nfs/dbraw/zinc/04/40/15/414044015.db2.gz VLHGLZBOUSPDER-LLVKDONJSA-N -1 3 268.320 2.523 20 30 CFEDHM N#CC(=C([O-])c1ccc2nsnc2c1)c1ccccn1 ZINC000344416264 225052434 /nfs/dbraw/zinc/05/24/34/225052434.db2.gz CMFWKOOEUNVZLA-JTQLQIEISA-N -1 3 280.312 2.576 20 30 CFEDHM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1ccncn1 ZINC000354480510 227011848 /nfs/dbraw/zinc/01/18/48/227011848.db2.gz XEWGGKYOXVAXPT-HNNXBMFYSA-N -1 3 288.310 2.757 20 30 CFEDHM Cc1cc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)ccc1[O-] ZINC000335968458 228171872 /nfs/dbraw/zinc/17/18/72/228171872.db2.gz XXSJVQGHGFSKNM-AWEZNQCLSA-N -1 3 284.290 2.834 20 30 CFEDHM C=CCNC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240783224 782028764 /nfs/dbraw/zinc/02/87/64/782028764.db2.gz QFCOWYRXNDMNEQ-UHFFFAOYSA-N -1 3 272.279 2.509 20 30 CFEDHM Cc1ccc(C(=O)NC2(C#N)CCCCC2)c([O-])c1 ZINC000040217109 260137959 /nfs/dbraw/zinc/13/79/59/260137959.db2.gz DKFYDODBBWFCJK-UHFFFAOYSA-N -1 3 258.321 2.657 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000088474987 260232854 /nfs/dbraw/zinc/23/28/54/260232854.db2.gz ZCQAVGBDSAJMEY-SNVBAGLBSA-N -1 3 292.282 2.749 20 30 CFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000130495229 260857515 /nfs/dbraw/zinc/85/75/15/260857515.db2.gz VYVBYFDZKYKIEV-DZGCQCFKSA-N -1 3 292.404 2.578 20 30 CFEDHM Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2F)c1[O-] ZINC000161423543 260972654 /nfs/dbraw/zinc/97/26/54/260972654.db2.gz YYCMKCDYMMZBPH-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM COc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c([O-])c1 ZINC000152164453 261060814 /nfs/dbraw/zinc/06/08/14/261060814.db2.gz GGQNBWBWBNYCAJ-BDJLRTHQSA-N -1 3 288.347 2.603 20 30 CFEDHM N#CCc1ccc(NC([O-])=NOCCC(F)(F)F)cc1 ZINC000156260197 261118537 /nfs/dbraw/zinc/11/85/37/261118537.db2.gz QABUIRHGMBEWIV-UHFFFAOYSA-N -1 3 287.241 2.758 20 30 CFEDHM N#CCc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156260197 261118538 /nfs/dbraw/zinc/11/85/38/261118538.db2.gz QABUIRHGMBEWIV-UHFFFAOYSA-N -1 3 287.241 2.758 20 30 CFEDHM CNC(=O)Oc1cccc(N=Cc2ccccc2[O-])c1 ZINC000497044810 262363966 /nfs/dbraw/zinc/36/39/66/262363966.db2.gz PBAQZIZPNKFUJV-UHFFFAOYSA-N -1 3 270.288 2.861 20 30 CFEDHM Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)c([O-])c1C ZINC000272522857 263005801 /nfs/dbraw/zinc/00/58/01/263005801.db2.gz LPDQEKNGJHYGRL-UHFFFAOYSA-N -1 3 272.348 2.775 20 30 CFEDHM Cc1ccc([O-])c(CNc2ccccc2O[C@H](C)C#N)n1 ZINC000272590725 263007241 /nfs/dbraw/zinc/00/72/41/263007241.db2.gz QYXCUQXRJVKMKS-GFCCVEGCSA-N -1 3 283.331 2.999 20 30 CFEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1ncccc1[O-] ZINC000272801582 263008820 /nfs/dbraw/zinc/00/88/20/263008820.db2.gz YQNDTFGNMAZQAS-LBPRGKRZSA-N -1 3 279.340 2.697 20 30 CFEDHM C[C@@H](C#N)CN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273310246 263015083 /nfs/dbraw/zinc/01/50/83/263015083.db2.gz MXQGZLDXGKTEDU-NSHDSACASA-N -1 3 272.348 2.503 20 30 CFEDHM COc1cc(Cl)cc(CN(CC#N)C2CC2)c1[O-] ZINC000273610706 263018284 /nfs/dbraw/zinc/01/82/84/263018284.db2.gz AAMGRDFFZMQEFM-UHFFFAOYSA-N -1 3 266.728 2.542 20 30 CFEDHM CC(C)(O)CC/N=C/c1cc(Br)ccc1[O-] ZINC000274727585 263029650 /nfs/dbraw/zinc/02/96/50/263029650.db2.gz CTELPZRPCTUDHY-RIYZIHGNSA-N -1 3 286.169 2.735 20 30 CFEDHM Cc1cccc(C(=O)NC(C)(C)C(C)(C)CO)c1[O-] ZINC000331225528 264150069 /nfs/dbraw/zinc/15/00/69/264150069.db2.gz CGWKGWBSGWXSQO-UHFFFAOYSA-N -1 3 265.353 2.802 20 30 CFEDHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cccc(C)c1[O-] ZINC000331231177 264153412 /nfs/dbraw/zinc/15/34/12/264153412.db2.gz HWQXERPQGGBRFE-NHYWBVRUSA-N -1 3 265.353 2.802 20 30 CFEDHM CC[C@@H](NC(=O)c1cccc(OC)c1[O-])C1CCOCC1 ZINC000331236777 264175488 /nfs/dbraw/zinc/17/54/88/264175488.db2.gz MPLKMUMEJJWUGX-CYBMUJFWSA-N -1 3 293.363 2.911 20 30 CFEDHM Cc1cccc(C(=O)N[C@@H](CO)CC2CCCC2)c1[O-] ZINC000331243265 264177973 /nfs/dbraw/zinc/17/79/73/264177973.db2.gz RLWJPMHYGNURJO-CYBMUJFWSA-N -1 3 277.364 2.946 20 30 CFEDHM CCCN1CCC[C@H]1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000331248631 264180004 /nfs/dbraw/zinc/18/00/04/264180004.db2.gz XFZWESJKCMPDKC-NSHDSACASA-N -1 3 298.333 2.849 20 30 CFEDHM COc1ccc(C(=O)N[C@H](C)C[C@H]2CCCO2)c([O-])c1 ZINC000331248621 264180257 /nfs/dbraw/zinc/18/02/57/264180257.db2.gz XEFQRVHLOHLJAX-ZYHUDNBSSA-N -1 3 279.336 2.663 20 30 CFEDHM CCc1noc(C)c1C(=O)[N-]c1snc(C)c1C#N ZINC000331355272 264207428 /nfs/dbraw/zinc/20/74/28/264207428.db2.gz QLFVQIJDCVKLFT-UHFFFAOYSA-N -1 3 276.321 2.818 20 30 CFEDHM CCc1ccc(C(=O)NC2(C#N)CCCCC2)c([O-])c1 ZINC000190741086 264428468 /nfs/dbraw/zinc/42/84/68/264428468.db2.gz CINSYFZYIVYJIY-UHFFFAOYSA-N -1 3 272.348 2.911 20 30 CFEDHM Cc1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1[O-] ZINC000094107520 265220846 /nfs/dbraw/zinc/22/08/46/265220846.db2.gz IKRSNUOWVRXNDU-UHFFFAOYSA-N -1 3 295.342 2.652 20 30 CFEDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230336997 270259749 /nfs/dbraw/zinc/25/97/49/270259749.db2.gz OZQCSTDJLSPHOW-ZYHUDNBSSA-N -1 3 298.433 2.867 20 30 CFEDHM C=C(C)CS(=O)(=O)[N-]c1cnn(CCC(C)C)c1C ZINC000357178215 266260583 /nfs/dbraw/zinc/26/05/83/266260583.db2.gz WODYESBPMDCFRI-UHFFFAOYSA-N -1 3 285.413 2.555 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(F)cc3)nc1-2 ZINC000357662800 266342524 /nfs/dbraw/zinc/34/25/24/266342524.db2.gz KCTHBHCLYFESRQ-LBPRGKRZSA-N -1 3 294.289 2.896 20 30 CFEDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156862364 289945625 /nfs/dbraw/zinc/94/56/25/289945625.db2.gz RJHXDLURELCCIE-GFCCVEGCSA-N -1 3 284.356 2.554 20 30 CFEDHM Cc1ccc(C(=O)NCc2cccc(C#N)c2)c([O-])c1 ZINC000045417825 280424133 /nfs/dbraw/zinc/42/41/33/280424133.db2.gz QGIACUCNGMGZTE-UHFFFAOYSA-N -1 3 266.300 2.502 20 30 CFEDHM N#CC1(CSCc2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC000570912612 327633806 /nfs/dbraw/zinc/63/38/06/327633806.db2.gz UXVQQOKBOKQYKX-UHFFFAOYSA-N -1 3 275.377 2.987 20 30 CFEDHM Cc1cc(C(=O)NCC#Cc2cccc(F)c2)ccc1[O-] ZINC000338242052 327973402 /nfs/dbraw/zinc/97/34/02/327973402.db2.gz ZNGPFVQELWUHQR-UHFFFAOYSA-N -1 3 283.302 2.621 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000353164566 328185261 /nfs/dbraw/zinc/18/52/61/328185261.db2.gz IEVNVKOVXJYQMH-QMMMGPOBSA-N -1 3 293.310 2.737 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/[C@H](C2CC2)C(F)(F)F)c1O ZINC000287343954 328251075 /nfs/dbraw/zinc/25/10/75/328251075.db2.gz XBPUEAYCKGDLHU-KDCOTVSISA-N -1 3 275.226 2.563 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CC2(C)C)cc1 ZINC000291516059 328264043 /nfs/dbraw/zinc/26/40/43/328264043.db2.gz XHGRWKJRMNMEIF-CQSZACIVSA-N -1 3 294.301 2.595 20 30 CFEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000298632280 328297030 /nfs/dbraw/zinc/29/70/30/328297030.db2.gz GOKDTIQWDDUYFR-VIZOYTHASA-N -1 3 276.361 2.577 20 30 CFEDHM C=CCC1(NC(=O)c2cccc3nn[n-]c32)CCCCC1 ZINC000569442188 327177496 /nfs/dbraw/zinc/17/74/96/327177496.db2.gz DIKZNAKVRLSWHC-UHFFFAOYSA-N -1 3 284.363 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3 298.302 2.909 20 30 CFEDHM Cc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1O ZINC000089435479 330385093 /nfs/dbraw/zinc/38/50/93/330385093.db2.gz HLIANQHRSHQLEM-UHFFFAOYSA-N -1 3 298.302 2.909 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000120307015 330387820 /nfs/dbraw/zinc/38/78/20/330387820.db2.gz QWDQBULEPOASMD-UHFFFAOYSA-N -1 3 263.721 2.797 20 30 CFEDHM C=C(CNC(=O)c1cccc(OC)c1[O-])c1ccccc1 ZINC000436737750 330683847 /nfs/dbraw/zinc/68/38/47/330683847.db2.gz QXWIVHGWTKUUNS-UHFFFAOYSA-N -1 3 283.327 2.844 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000447929623 330880452 /nfs/dbraw/zinc/88/04/52/330880452.db2.gz KKIZOYUAWXEGLQ-UHFFFAOYSA-N -1 3 275.320 2.518 20 30 CFEDHM C=CCC1(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)CCCC1 ZINC000449832041 330951535 /nfs/dbraw/zinc/95/15/35/330951535.db2.gz AEDCNIPSPAFHNQ-UHFFFAOYSA-N -1 3 296.374 2.969 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@]3(C#N)C[C@@H]3C)[nH][n-]2)c1 ZINC000449835308 330951619 /nfs/dbraw/zinc/95/16/19/330951619.db2.gz 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/nfs/dbraw/zinc/11/24/08/336112408.db2.gz WJTDOBQKLQJDHA-UHFFFAOYSA-N -1 3 293.363 2.557 20 30 CFEDHM O=C([N-]c1nncn1C1CC1)c1coc(C2CCCC2)n1 ZINC000329113881 534335459 /nfs/dbraw/zinc/33/54/59/534335459.db2.gz LNVLRDVTEVLAPL-UHFFFAOYSA-N -1 3 287.323 2.895 20 30 CFEDHM CCC(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169261559 521596776 /nfs/dbraw/zinc/59/67/76/521596776.db2.gz ZWBCLLKCXLQFBE-UHFFFAOYSA-N -1 3 286.784 2.679 20 30 CFEDHM Cc1cccc(C(=O)NCc2cc(C#N)ccc2F)c1[O-] ZINC000174547449 534608396 /nfs/dbraw/zinc/60/83/96/534608396.db2.gz QUFFGBFLWZFVBV-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM Cc1cnc([C@H](C)NC(=O)c2csc(=O)[n-]2)s1 ZINC000329975784 534631446 /nfs/dbraw/zinc/63/14/46/534631446.db2.gz DUKQFWXAXGSRGE-LURJTMIESA-N -1 3 269.351 2.679 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230349506 524316727 /nfs/dbraw/zinc/31/67/27/524316727.db2.gz ZBWKIPPAEWYAFA-GHMZBOCLSA-N -1 3 298.433 2.867 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2cccc(C#N)c2C)n1 ZINC000338215322 525360696 /nfs/dbraw/zinc/36/06/96/525360696.db2.gz VFXGERNHLXDXRE-UHFFFAOYSA-N -1 3 267.288 2.528 20 30 CFEDHM Cc1nnc([N-]C(=O)c2oc(CC3CC3)nc2C)s1 ZINC000330023554 534869233 /nfs/dbraw/zinc/86/92/33/534869233.db2.gz IWBNIJUJQXQKRB-UHFFFAOYSA-N -1 3 278.337 2.732 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(C)ccc1[O-] ZINC000336331036 526758495 /nfs/dbraw/zinc/75/84/95/526758495.db2.gz SLHSSFOOBQCEGD-UHFFFAOYSA-N -1 3 256.261 2.726 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000335852170 526758885 /nfs/dbraw/zinc/75/88/85/526758885.db2.gz GGTVVNJNMAHSOQ-UHFFFAOYSA-N -1 3 260.224 2.557 20 30 CFEDHM CC(C)(C)c1nnc(CNC(=O)c2csc(=O)[n-]2)s1 ZINC000329988996 526888324 /nfs/dbraw/zinc/88/83/24/526888324.db2.gz UTLQPHBWCATNNZ-UHFFFAOYSA-N -1 3 298.393 2.503 20 30 CFEDHM C=CC1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000334815349 526975213 /nfs/dbraw/zinc/97/52/13/526975213.db2.gz XMBLODBNDMIGEL-UHFFFAOYSA-N -1 3 273.332 2.633 20 30 CFEDHM C=CCC(C)(C)CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000352505271 527014442 /nfs/dbraw/zinc/01/44/42/527014442.db2.gz ZNBBRPKKXHYSMG-UHFFFAOYSA-N -1 3 284.363 2.804 20 30 CFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1cccc(F)c1 ZINC000753960753 574059418 /nfs/dbraw/zinc/05/94/18/574059418.db2.gz VFMUUMOJAQEVJV-UHFFFAOYSA-N -1 3 273.242 2.733 20 30 CFEDHM Cc1ccc2c(c1)C(N=Nc1nc(C)cc(=O)[n-]1)CCC2 ZINC000753922520 574082062 /nfs/dbraw/zinc/08/20/62/574082062.db2.gz SSJKJVYHRYVMFV-UHFFFAOYSA-N -1 3 282.347 2.952 20 30 CFEDHM Cc1ccc2c(c1C)OC[C@@H]2/N=C/c1ccc(O)c([O-])c1O ZINC000728226026 574087386 /nfs/dbraw/zinc/08/73/86/574087386.db2.gz DSPMILDVHLUDBM-VXSOZLBZSA-N -1 3 299.326 2.973 20 30 CFEDHM Cc1ccc2c(c1C)OC[C@H]2/N=C/c1ccc(O)c([O-])c1O ZINC000728226023 574087471 /nfs/dbraw/zinc/08/74/71/574087471.db2.gz DSPMILDVHLUDBM-BPGOPIFBSA-N -1 3 299.326 2.973 20 30 CFEDHM O=c1[nH]ncc(NN=Cc2cc(Cl)ccc2[O-])c1Cl ZINC000730567899 574088311 /nfs/dbraw/zinc/08/83/11/574088311.db2.gz DDOVUKJAYJIVPI-UHFFFAOYSA-N -1 3 299.117 2.641 20 30 CFEDHM O=c1ccc2cc(N=Cc3cccc([O-])c3O)ccc2[nH]1 ZINC000728438332 574096405 /nfs/dbraw/zinc/09/64/05/574096405.db2.gz UUCYFZQIMALFHW-UHFFFAOYSA-N -1 3 280.283 2.690 20 30 CFEDHM CCOc1ccc(/C=N/CCOCC2CC2)c([O-])c1 ZINC000730950566 574104247 /nfs/dbraw/zinc/10/42/47/574104247.db2.gz GCNRVMXQABHFKR-MHWRWJLKSA-N -1 3 263.337 2.636 20 30 CFEDHM Cc1ccc([O-])c(C=NN[C@@H](C)c2ccccc2)n1 ZINC000728781658 574108950 /nfs/dbraw/zinc/10/89/50/574108950.db2.gz ZJALNHAHVCDRCH-LBPRGKRZSA-N -1 3 255.321 2.780 20 30 CFEDHM CC(=NNc1ccc(F)cn1)c1ccc([O-])c(F)c1 ZINC000731321645 574116694 /nfs/dbraw/zinc/11/66/94/574116694.db2.gz MZQQSNKIMXSYJE-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM CC(N=Nc1ccc(F)cn1)c1ccc([O-])c(F)c1 ZINC000731321645 574116696 /nfs/dbraw/zinc/11/66/96/574116696.db2.gz MZQQSNKIMXSYJE-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM O=C1c2cc3c(cc2OC/C1=C/c1ccc([O-])cc1)OCO3 ZINC000745634364 574121111 /nfs/dbraw/zinc/12/11/11/574121111.db2.gz OLBMEBKQNXSUPP-WZUFQYTHSA-N -1 3 296.278 2.780 20 30 CFEDHM O=C(N[O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000746031269 574131571 /nfs/dbraw/zinc/13/15/71/574131571.db2.gz LGIUTRPSVDOGHR-UHFFFAOYSA-N -1 3 254.698 2.583 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCc3ccccc32)c1[O-] ZINC000731938849 574136276 /nfs/dbraw/zinc/13/62/76/574136276.db2.gz WFZAAXHXRJNMNF-LEBHLANCSA-N -1 3 296.370 2.737 20 30 CFEDHM Cc1ccc(C#N)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000746340726 574146262 /nfs/dbraw/zinc/14/62/62/574146262.db2.gz PORLHDIVVCPONW-UHFFFAOYSA-N -1 3 281.315 2.519 20 30 CFEDHM N#CCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737696912 574151555 /nfs/dbraw/zinc/15/15/55/574151555.db2.gz AXKVLHSWQFBMDY-UHFFFAOYSA-N -1 3 290.330 2.545 20 30 CFEDHM N#CCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737696912 574151556 /nfs/dbraw/zinc/15/15/56/574151556.db2.gz AXKVLHSWQFBMDY-UHFFFAOYSA-N -1 3 290.330 2.545 20 30 CFEDHM N#Cc1cccc(OCCOC(=O)c2cc([O-])cs2)c1 ZINC000732354227 574153440 /nfs/dbraw/zinc/15/34/40/574153440.db2.gz PPPHCTVXYIUAPD-UHFFFAOYSA-N -1 3 289.312 2.561 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000755441929 574162590 /nfs/dbraw/zinc/16/25/90/574162590.db2.gz JNDQFARPJWIBAQ-WBTMPAOCSA-N -1 3 296.367 2.654 20 30 CFEDHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@H](C#N)CC(C)C)cc1 ZINC000755444549 574162644 /nfs/dbraw/zinc/16/26/44/574162644.db2.gz WMXWGPDJFWJJIY-HVHJFMEUSA-N -1 3 292.404 2.823 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1csc(N(C)C)n1 ZINC000746815787 574166891 /nfs/dbraw/zinc/16/68/91/574166891.db2.gz NJTKFELDFMNCGE-OVCLIPMQSA-N -1 3 291.376 2.542 20 30 CFEDHM [O-]c1c(F)cccc1CN=Nc1ncnc2sccc21 ZINC000755589197 574169345 /nfs/dbraw/zinc/16/93/45/574169345.db2.gz OHCQMGPHNVAVIH-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM [O-]c1c(F)cccc1C=NNc1ncnc2sccc21 ZINC000755589197 574169346 /nfs/dbraw/zinc/16/93/46/574169346.db2.gz OHCQMGPHNVAVIH-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738490266 574171662 /nfs/dbraw/zinc/17/16/62/574171662.db2.gz PJNYYFQMKKIEOT-INIZCTEOSA-N -1 3 299.374 2.546 20 30 CFEDHM [O-]c1ccc(F)cc1C=Nn1cnnc1-c1ccccc1 ZINC000755617525 574172161 /nfs/dbraw/zinc/17/21/61/574172161.db2.gz MJSKCKFTWSTBJH-UHFFFAOYSA-N -1 3 282.278 2.672 20 30 CFEDHM [O-]c1cccc(Cl)c1CN=Nc1cncc(Cl)n1 ZINC000755641299 574173414 /nfs/dbraw/zinc/17/34/14/574173414.db2.gz WFHYVDWDMUYXLX-UHFFFAOYSA-N -1 3 283.118 2.935 20 30 CFEDHM [O-]c1ccc(C=NNCc2cc(F)ccc2F)cc1F ZINC000755650005 574175218 /nfs/dbraw/zinc/17/52/18/574175218.db2.gz FRDABRMDVLPGIC-UHFFFAOYSA-N -1 3 280.249 2.933 20 30 CFEDHM Cc1cc(C)cc(CC/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000740763240 574177030 /nfs/dbraw/zinc/17/70/30/574177030.db2.gz CYSWFZXMFZVETN-VXLYETTFSA-N -1 3 298.386 2.866 20 30 CFEDHM CC(C)c1nc(C#N)c(N=NCc2cccc(F)c2[O-])o1 ZINC000755672613 574177124 /nfs/dbraw/zinc/17/71/24/574177124.db2.gz BPXUKWSIWAASPB-UHFFFAOYSA-N -1 3 288.282 2.960 20 30 CFEDHM CC(C)c1nc(C#N)c(N=NCc2ccc([O-])c(F)c2)o1 ZINC000755674720 574177582 /nfs/dbraw/zinc/17/75/82/574177582.db2.gz RVSXHHTUOIRGCL-UHFFFAOYSA-N -1 3 288.282 2.960 20 30 CFEDHM CCOc1ccc(C=NNc2cc(C)ccn2)c([O-])c1 ZINC000755904459 574196122 /nfs/dbraw/zinc/19/61/22/574196122.db2.gz BXFAKXLJCQISFT-UHFFFAOYSA-N -1 3 271.320 2.940 20 30 CFEDHM C=CCN(C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000739059973 574196355 /nfs/dbraw/zinc/19/63/55/574196355.db2.gz UNCHKZQYAHGENI-UHFFFAOYSA-N -1 3 266.316 2.637 20 30 CFEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000739075703 574196543 /nfs/dbraw/zinc/19/65/43/574196543.db2.gz UZCJERGGLIECPW-CQSZACIVSA-N -1 3 294.310 2.589 20 30 CFEDHM COc1cccc([O-])c1/C=N\CCc1nccs1 ZINC000747613944 574203145 /nfs/dbraw/zinc/20/31/45/574203145.db2.gz DHTYZDXFVPQZHS-ZROIWOOFSA-N -1 3 262.334 2.519 20 30 CFEDHM CCOc1ccc(/C=N\Cc2cscn2)c([O-])c1 ZINC000747615515 574203472 /nfs/dbraw/zinc/20/34/72/574203472.db2.gz YEACCDGWVBGGEO-NSIKDUERSA-N -1 3 262.334 2.867 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1cccc(F)n1 ZINC000747689996 574206492 /nfs/dbraw/zinc/20/64/92/574206492.db2.gz CKUCUDIEJJECBP-SXGWCWSVSA-N -1 3 260.268 2.554 20 30 CFEDHM CCOc1ccc(/C=N\C[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000733205084 574210997 /nfs/dbraw/zinc/21/09/97/574210997.db2.gz JYEFLAUBIVMREQ-JGSGYBEMSA-N -1 3 291.269 2.787 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@H](O)c1ccsc1 ZINC000739427580 574213535 /nfs/dbraw/zinc/21/35/35/574213535.db2.gz VMDFXEUJXSWUFY-XKBFBRDOSA-N -1 3 277.345 2.615 20 30 CFEDHM CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C)nn2)c([O-])c1 ZINC000729936340 574238875 /nfs/dbraw/zinc/23/88/75/574238875.db2.gz QJDJBCTYCUANQP-UHFFFAOYSA-N -1 3 299.378 2.783 20 30 CFEDHM N#CCOc1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000733496650 574242345 /nfs/dbraw/zinc/24/23/45/574242345.db2.gz JYJZZIOSPKQUKY-UHFFFAOYSA-N -1 3 289.312 2.713 20 30 CFEDHM CCOc1ccc(/C=N\CC2CCOCC2)c([O-])c1 ZINC000749104543 574279926 /nfs/dbraw/zinc/27/99/26/574279926.db2.gz MWFKTQRLUQEBAU-WJDWOHSUSA-N -1 3 263.337 2.636 20 30 CFEDHM Cc1ccc(N2CC[C@H](/N=C\c3ccccc3[O-])C2=O)cc1 ZINC000741465716 574291662 /nfs/dbraw/zinc/29/16/62/574291662.db2.gz XTXVHOPONGPMEP-JJBLJPBOSA-N -1 3 294.354 2.925 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000741844679 574306602 /nfs/dbraw/zinc/30/66/02/574306602.db2.gz PGUUEVGRVGFKDO-SFGIUUDSSA-N -1 3 288.391 2.976 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000735206177 574316478 /nfs/dbraw/zinc/31/64/78/574316478.db2.gz AKJNVPQPZXBQTJ-OMPYUXFZSA-N -1 3 256.305 2.690 20 30 CFEDHM C=CCCC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735410337 574322918 /nfs/dbraw/zinc/32/29/18/574322918.db2.gz ZMDSDSIMSBOJCP-UHFFFAOYSA-N -1 3 299.378 2.572 20 30 CFEDHM C=CCCC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735410337 574322920 /nfs/dbraw/zinc/32/29/20/574322920.db2.gz ZMDSDSIMSBOJCP-UHFFFAOYSA-N -1 3 299.378 2.572 20 30 CFEDHM C=CCSCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735436132 574324418 /nfs/dbraw/zinc/32/44/18/574324418.db2.gz GIHCWZNJDVKZDZ-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM C=CCSCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735436132 574324420 /nfs/dbraw/zinc/32/44/20/574324420.db2.gz GIHCWZNJDVKZDZ-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM C=CC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccncc1 ZINC000750195674 574330503 /nfs/dbraw/zinc/33/05/03/574330503.db2.gz KXDSPQRPVXSBJI-AWEZNQCLSA-N -1 3 284.315 2.540 20 30 CFEDHM CC(C)(C)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735603665 574330909 /nfs/dbraw/zinc/33/09/09/574330909.db2.gz NLHFPXPEBADIQL-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CC(C)(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735603665 574330910 /nfs/dbraw/zinc/33/09/10/574330910.db2.gz NLHFPXPEBADIQL-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM O=C1Nc2ccc(F)cc2C1=N[N-]c1c(F)cccc1F ZINC000735615025 574331360 /nfs/dbraw/zinc/33/13/60/574331360.db2.gz IBFBUTHAIBCVRF-UHFFFAOYSA-N -1 3 291.232 2.872 20 30 CFEDHM O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)N[O-] ZINC000750861243 574358229 /nfs/dbraw/zinc/35/82/29/574358229.db2.gz RKQNMRFOVCPXFU-UHFFFAOYSA-N -1 3 269.300 2.822 20 30 CFEDHM C[C@@H]1CN(CC/N=C\c2c([O-])ccc3ccccc32)CCO1 ZINC000750950718 574365168 /nfs/dbraw/zinc/36/51/68/574365168.db2.gz ZYUAJQFLEOBNHF-VCRXTVNUSA-N -1 3 298.386 2.685 20 30 CFEDHM COc1cccc([O-])c1/C=N\CCN1Cc2ccccc2C1 ZINC000743538893 574368295 /nfs/dbraw/zinc/36/82/95/574368295.db2.gz RQGCNIZFKFKFSH-ODLFYWEKSA-N -1 3 296.370 2.836 20 30 CFEDHM O=C1[C@H](/N=C\c2ccccc2[O-])CCN1Cc1ccccc1 ZINC000743537946 574368350 /nfs/dbraw/zinc/36/83/50/574368350.db2.gz FBLZTRCRNFXWGZ-BKAYVGFPSA-N -1 3 294.354 2.612 20 30 CFEDHM N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000744010924 574375815 /nfs/dbraw/zinc/37/58/15/574375815.db2.gz SZFFLRGGRKFWFS-SKVAFPRGSA-N -1 3 251.289 2.705 20 30 CFEDHM CC(C)CN(CCC#N)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000751381144 574376141 /nfs/dbraw/zinc/37/61/41/574376141.db2.gz GRJIQJABBYPUJQ-UHFFFAOYSA-N -1 3 297.358 2.540 20 30 CFEDHM CC(C)C([N-]S(=O)(=O)c1cccc(F)c1C#N)C(C)C ZINC000751506171 574378099 /nfs/dbraw/zinc/37/80/99/574378099.db2.gz DUWRGHYUVSTGOX-UHFFFAOYSA-N -1 3 298.383 2.656 20 30 CFEDHM CCOC(=O)[C@@H](CC1CC1)/N=C/c1ccccc1[O-] ZINC000751890574 574384346 /nfs/dbraw/zinc/38/43/46/574384346.db2.gz OTMMADZLCQQCMF-BVTUPMQUSA-N -1 3 261.321 2.543 20 30 CFEDHM N#Cc1ccc(C(=O)O[C@@H]2CCc3ccccc32)[n-]1 ZINC000752484688 574391739 /nfs/dbraw/zinc/39/17/39/574391739.db2.gz WSGIMZHHWRTNPV-CQSZACIVSA-N -1 3 252.273 2.731 20 30 CFEDHM N#Cc1ccc(C(=O)OCc2cccc(Cl)c2)[n-]1 ZINC000752477929 574391794 /nfs/dbraw/zinc/39/17/94/574391794.db2.gz DFDSMMQJDVAMLO-UHFFFAOYSA-N -1 3 260.680 2.897 20 30 CFEDHM Cc1c(NCc2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC000822121806 607256619 /nfs/dbraw/zinc/25/66/19/607256619.db2.gz HCHIPSSXXHQGTN-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(NCc2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC000822121806 607256620 /nfs/dbraw/zinc/25/66/20/607256620.db2.gz HCHIPSSXXHQGTN-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM C#CCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000819693630 599079100 /nfs/dbraw/zinc/07/91/00/599079100.db2.gz UQELCEQUZYDNMV-UHFFFAOYSA-N -1 3 295.268 2.711 20 30 CFEDHM O=C(c1ncc2ccccn21)N([O-])Cc1ccc(F)cc1 ZINC000900095323 620637323 /nfs/dbraw/zinc/63/73/23/620637323.db2.gz YMQGHPSPXLEJPQ-UHFFFAOYSA-N -1 3 285.278 2.505 20 30 CFEDHM N#Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)s1 ZINC000819100507 597492734 /nfs/dbraw/zinc/49/27/34/597492734.db2.gz LJBQKXFPWLQLMR-UHFFFAOYSA-N -1 3 272.329 2.608 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)[O-])c1 ZINC000820602102 598210589 /nfs/dbraw/zinc/21/05/89/598210589.db2.gz FUTDVBSZDPOAII-UHFFFAOYSA-N -1 3 280.327 2.888 20 30 CFEDHM C=CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000819758682 599536375 /nfs/dbraw/zinc/53/63/75/599536375.db2.gz FVXQZSYCOVQCMP-UHFFFAOYSA-N -1 3 252.730 2.798 20 30 CFEDHM C=CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000819758682 599536378 /nfs/dbraw/zinc/53/63/78/599536378.db2.gz FVXQZSYCOVQCMP-UHFFFAOYSA-N -1 3 252.730 2.798 20 30 CFEDHM C=CCCCN(C)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819739697 599562945 /nfs/dbraw/zinc/56/29/45/599562945.db2.gz DMDOVRWNKRDZNH-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819739697 599562948 /nfs/dbraw/zinc/56/29/48/599562948.db2.gz DMDOVRWNKRDZNH-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM CCCCCCCCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000118018176 601459905 /nfs/dbraw/zinc/45/99/05/601459905.db2.gz LNZOLHVBAYHSRU-ZDUSSCGKSA-N -1 3 257.374 2.522 20 30 CFEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000935631216 649924409 /nfs/dbraw/zinc/92/44/09/649924409.db2.gz SYDAODFENWUWAE-SNVBAGLBSA-N -1 3 286.709 2.663 20 30 CFEDHM CC(C)CCN(CCC#N)CC1CCN(C(=O)[O-])CC1 ZINC000824238132 603567172 /nfs/dbraw/zinc/56/71/72/603567172.db2.gz ALIIISREAJUNDJ-UHFFFAOYSA-N -1 3 281.400 2.638 20 30 CFEDHM CC(C)[C@@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824217053 607654656 /nfs/dbraw/zinc/65/46/56/607654656.db2.gz XPHQVLHNAPIQNW-AWEZNQCLSA-N -1 3 298.394 2.768 20 30 CFEDHM CC(C)[C@@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824217053 607654657 /nfs/dbraw/zinc/65/46/57/607654657.db2.gz XPHQVLHNAPIQNW-AWEZNQCLSA-N -1 3 298.394 2.768 20 30 CFEDHM CC(C)[C@@H](C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833469367 604601502 /nfs/dbraw/zinc/60/15/02/604601502.db2.gz VZEQXAJNFGTHRE-LLVKDONJSA-N -1 3 260.337 2.733 20 30 CFEDHM CC(C)CN(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833487154 604604419 /nfs/dbraw/zinc/60/44/19/604604419.db2.gz AWWBBICTYFTXNL-UHFFFAOYSA-N -1 3 272.348 2.877 20 30 CFEDHM CC(C)(C#N)CCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212076915 605191166 /nfs/dbraw/zinc/19/11/66/605191166.db2.gz LUMLCVTXUMQGEW-UHFFFAOYSA-N -1 3 272.348 2.683 20 30 CFEDHM C#CCCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833362237 605356504 /nfs/dbraw/zinc/35/65/04/605356504.db2.gz HBRFDDOBSCGWMI-LBPRGKRZSA-N -1 3 269.703 2.608 20 30 CFEDHM C=C(C)CSCc1cc(-c2nn[n-]n2)ccc1F ZINC000819722222 606179215 /nfs/dbraw/zinc/17/92/15/606179215.db2.gz DFQSOXBBDIQWAC-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=C(C)CSCc1cc(-c2nnn[n-]2)ccc1F ZINC000819722222 606179213 /nfs/dbraw/zinc/17/92/13/606179213.db2.gz DFQSOXBBDIQWAC-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)o1 ZINC000822224885 606303728 /nfs/dbraw/zinc/30/37/28/606303728.db2.gz DRCQJEJFLDXYIM-ONEGZZNKSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)o1 ZINC000822224885 606303730 /nfs/dbraw/zinc/30/37/30/606303730.db2.gz DRCQJEJFLDXYIM-ONEGZZNKSA-N -1 3 286.316 2.726 20 30 CFEDHM Cc1ccc(C)c(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822231894 606369297 /nfs/dbraw/zinc/36/92/97/606369297.db2.gz LKESOAYNBIYSKQ-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC000822224893 606389423 /nfs/dbraw/zinc/38/94/23/606389423.db2.gz DYFWGXJDVUDWDL-HWKANZROSA-N -1 3 286.316 2.726 20 30 CFEDHM CC(CC1CCC1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820236233 606916963 /nfs/dbraw/zinc/91/69/63/606916963.db2.gz ZXDCSNKISAUNMZ-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC(CC1CCC1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820236233 606916965 /nfs/dbraw/zinc/91/69/65/606916965.db2.gz ZXDCSNKISAUNMZ-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822379949 607252283 /nfs/dbraw/zinc/25/22/83/607252283.db2.gz WSUAQMYTSVFMAQ-RQOWECAXSA-N -1 3 286.316 2.726 20 30 CFEDHM C=CCC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894124 607779868 /nfs/dbraw/zinc/77/98/68/607779868.db2.gz IAWIHJYBEWTXAV-AWEZNQCLSA-N -1 3 298.346 2.768 20 30 CFEDHM C=CCC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894124 607779869 /nfs/dbraw/zinc/77/98/69/607779869.db2.gz IAWIHJYBEWTXAV-AWEZNQCLSA-N -1 3 298.346 2.768 20 30 CFEDHM N#CCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826381600 608227426 /nfs/dbraw/zinc/22/74/26/608227426.db2.gz RKIPEPJDQCOCSB-UHFFFAOYSA-N -1 3 293.334 2.521 20 30 CFEDHM N#CCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826381600 608227427 /nfs/dbraw/zinc/22/74/27/608227427.db2.gz RKIPEPJDQCOCSB-UHFFFAOYSA-N -1 3 293.334 2.521 20 30 CFEDHM C=CCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894277 608275188 /nfs/dbraw/zinc/27/51/88/608275188.db2.gz MFYGBSIQOYAZFC-HCRIHEDKSA-N -1 3 298.346 2.778 20 30 CFEDHM C=CCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894277 608275190 /nfs/dbraw/zinc/27/51/90/608275190.db2.gz MFYGBSIQOYAZFC-HCRIHEDKSA-N -1 3 298.346 2.778 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894088 608332248 /nfs/dbraw/zinc/33/22/48/608332248.db2.gz HFDWYGRGQLQXBN-NSHDSACASA-N -1 3 286.335 2.768 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894088 608332249 /nfs/dbraw/zinc/33/22/49/608332249.db2.gz HFDWYGRGQLQXBN-NSHDSACASA-N -1 3 286.335 2.768 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823894916 608332715 /nfs/dbraw/zinc/33/27/15/608332715.db2.gz ZOZMSYDDHPCOLG-LLVKDONJSA-N -1 3 286.335 2.768 20 30 CFEDHM C=CCCC[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823894916 608332717 /nfs/dbraw/zinc/33/27/17/608332717.db2.gz ZOZMSYDDHPCOLG-LLVKDONJSA-N -1 3 286.335 2.768 20 30 CFEDHM CC(=NOC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823963062 608391663 /nfs/dbraw/zinc/39/16/63/608391663.db2.gz UTRNBWLUULAADT-UHFFFAOYSA-N -1 3 271.324 2.550 20 30 CFEDHM CC(=NOC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823963062 608391664 /nfs/dbraw/zinc/39/16/64/608391664.db2.gz UTRNBWLUULAADT-UHFFFAOYSA-N -1 3 271.324 2.550 20 30 CFEDHM c1cc2c(cc1-c1nn[n-]n1)CCCC2=NOC1CCCC1 ZINC000826518032 608393226 /nfs/dbraw/zinc/39/32/26/608393226.db2.gz ZCKFGYNRGQLBPO-UHFFFAOYSA-N -1 3 297.362 2.866 20 30 CFEDHM c1cc2c(cc1-c1nnn[n-]1)CCCC2=NOC1CCCC1 ZINC000826518032 608393224 /nfs/dbraw/zinc/39/32/24/608393224.db2.gz ZCKFGYNRGQLBPO-UHFFFAOYSA-N -1 3 297.362 2.866 20 30 CFEDHM CCC[C@H](C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825233439 608535665 /nfs/dbraw/zinc/53/56/65/608535665.db2.gz POZGLHMXKRKZPD-QMMMGPOBSA-N -1 3 293.762 2.749 20 30 CFEDHM CCC[C@H](C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825233439 608535666 /nfs/dbraw/zinc/53/56/66/608535666.db2.gz POZGLHMXKRKZPD-QMMMGPOBSA-N -1 3 293.762 2.749 20 30 CFEDHM CC(=NN[C@@H](C)CC#N)c1ccc([O-])cc1Cl ZINC000905456352 621776061 /nfs/dbraw/zinc/77/60/61/621776061.db2.gz HDVWHFCPLOSGEC-QMMMGPOBSA-N -1 3 251.717 2.661 20 30 CFEDHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)N([O-])Cc1ccc(F)cc1 ZINC000900679363 620701123 /nfs/dbraw/zinc/70/11/23/620701123.db2.gz OHRZGCFZURCNLP-GJZGRUSLSA-N -1 3 293.338 2.891 20 30 CFEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400950 609274621 /nfs/dbraw/zinc/27/46/21/609274621.db2.gz LSOAKPMXOPXNIZ-RMKNXTFCSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400950 609274623 /nfs/dbraw/zinc/27/46/23/609274623.db2.gz LSOAKPMXOPXNIZ-RMKNXTFCSA-N -1 3 294.289 2.902 20 30 CFEDHM C[C@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C ZINC000824919365 609277419 /nfs/dbraw/zinc/27/74/19/609277419.db2.gz ULNNKCVBNPYJOG-RYUDHWBXSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C ZINC000824919365 609277420 /nfs/dbraw/zinc/27/74/20/609277420.db2.gz ULNNKCVBNPYJOG-RYUDHWBXSA-N -1 3 298.394 2.768 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000900683416 620701979 /nfs/dbraw/zinc/70/19/79/620701979.db2.gz XLKSPCQQGNNCHE-VHSXEESVSA-N -1 3 283.290 2.894 20 30 CFEDHM C=CCCCN(CC)C(=O)c1nnc2ccccc2c1[O-] ZINC000890813999 617909027 /nfs/dbraw/zinc/90/90/27/617909027.db2.gz RFJGRDXMDLKOCX-UHFFFAOYSA-N -1 3 285.347 2.764 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2cc(F)c(F)cc2F)c1O ZINC000255062983 617938007 /nfs/dbraw/zinc/93/80/07/617938007.db2.gz RVVYJVMOVGKGKX-UHFFFAOYSA-N -1 3 283.205 2.971 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NOC2CCOCC2)c1 ZINC000901222625 620773499 /nfs/dbraw/zinc/77/34/99/620773499.db2.gz NMDRSISSDPCVPA-UHFFFAOYSA-N -1 3 255.701 2.575 20 30 CFEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1ccccn1 ZINC000255342092 618205956 /nfs/dbraw/zinc/20/59/56/618205956.db2.gz NIDQRYKGRNQEAC-DSYXLKISSA-N -1 3 267.263 2.505 20 30 CFEDHM CCCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)n[nH]1 ZINC000901375170 620798735 /nfs/dbraw/zinc/79/87/35/620798735.db2.gz DXLBCSJJXWLRJJ-UHFFFAOYSA-N -1 3 277.299 2.533 20 30 CFEDHM O=C1[C@@H](NCc2c(Cl)oc3ccccc32)CCCN1[O-] ZINC000895160579 618408368 /nfs/dbraw/zinc/40/83/68/618408368.db2.gz BBVGXZVPMZDGAG-NSHDSACASA-N -1 3 294.738 2.556 20 30 CFEDHM Cc1cc2cc(CN[C@@H]3CCCN([O-])C3=O)oc2cc1C ZINC000895165559 618416961 /nfs/dbraw/zinc/41/69/61/618416961.db2.gz LSOKURTUEQDGGQ-CQSZACIVSA-N -1 3 288.347 2.519 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc(F)cc1F ZINC000856034933 618424959 /nfs/dbraw/zinc/42/49/59/618424959.db2.gz XATBYJRFBRKCJO-UHFFFAOYSA-N -1 3 255.264 2.521 20 30 CFEDHM Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)c([O-])c1O ZINC000177667924 618470407 /nfs/dbraw/zinc/47/04/07/618470407.db2.gz CVPRCDJRGJFPPR-UHFFFAOYSA-N -1 3 282.299 2.725 20 30 CFEDHM CCn1ncc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)n1 ZINC000901453208 620817266 /nfs/dbraw/zinc/81/72/66/620817266.db2.gz OQLINTMEFCMJCW-VSBFRKNKSA-N -1 3 287.294 2.526 20 30 CFEDHM N#Cc1ccccc1/C=C/C(=O)Nc1ccccc1[O-] ZINC000179044920 619573989 /nfs/dbraw/zinc/57/39/89/619573989.db2.gz NWVZHHDJPJCPHY-MDZDMXLPSA-N -1 3 264.284 2.916 20 30 CFEDHM N#C[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000896500632 619750398 /nfs/dbraw/zinc/75/03/98/619750398.db2.gz IRGRESLORIIUMW-SNVBAGLBSA-N -1 3 295.180 2.890 20 30 CFEDHM C=C1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000896502708 619751140 /nfs/dbraw/zinc/75/11/40/619751140.db2.gz UHLKVQUCUSLLFC-UHFFFAOYSA-N -1 3 263.312 2.894 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC(C)(C)C2)c1[O-] ZINC000840706478 619856943 /nfs/dbraw/zinc/85/69/43/619856943.db2.gz NIISIJBMXGQFML-AGZSBTIMSA-N -1 3 276.380 2.976 20 30 CFEDHM CO[C@@H](C/N=C\c1cc(Cl)ccc1[O-])C1CC1 ZINC000840707703 619869481 /nfs/dbraw/zinc/86/94/81/619869481.db2.gz XTDOLLZGZVHWQF-XKBFBRDOSA-N -1 3 253.729 2.890 20 30 CFEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)CCC1 ZINC000888119039 620122486 /nfs/dbraw/zinc/12/24/86/620122486.db2.gz QWEMEMCZWVIWKX-UHFFFAOYSA-N -1 3 291.351 2.660 20 30 CFEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)CCC1 ZINC000888119039 620122487 /nfs/dbraw/zinc/12/24/87/620122487.db2.gz QWEMEMCZWVIWKX-UHFFFAOYSA-N -1 3 291.351 2.660 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000898281442 620364293 /nfs/dbraw/zinc/36/42/93/620364293.db2.gz WGWBZGWTYDKFLD-GFCCVEGCSA-N -1 3 293.363 2.649 20 30 CFEDHM C=C[C@H]1CCCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902545337 621123716 /nfs/dbraw/zinc/12/37/16/621123716.db2.gz VNXHQAKBKGDSTN-BCPZQOPPSA-N -1 3 261.321 2.918 20 30 CFEDHM C=C[C@@H]1CCCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902545338 621123977 /nfs/dbraw/zinc/12/39/77/621123977.db2.gz VNXHQAKBKGDSTN-IDVQTMNDSA-N -1 3 261.321 2.918 20 30 CFEDHM C[C@@H]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1C(=O)[O-] ZINC000903407719 621363438 /nfs/dbraw/zinc/36/34/38/621363438.db2.gz KIKUYZMGLXEYCR-YGRLFVJLSA-N -1 3 292.766 2.897 20 30 CFEDHM CCOC1CC(CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904172978 621541702 /nfs/dbraw/zinc/54/17/02/621541702.db2.gz FQMJIBAKYHHKDP-UHFFFAOYSA-N -1 3 281.327 2.749 20 30 CFEDHM Cc1nc(CC(=O)N([O-])Cc2ccc(F)cc2)c(C)s1 ZINC000904172880 621541776 /nfs/dbraw/zinc/54/17/76/621541776.db2.gz DAEVKNKRSVSZNV-UHFFFAOYSA-N -1 3 294.351 2.860 20 30 CFEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCC1=O ZINC000904173918 621542146 /nfs/dbraw/zinc/54/21/46/621542146.db2.gz SWZSHXDBAMKWEL-ZYHUDNBSSA-N -1 3 279.311 2.549 20 30 CFEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)C1CCOCC1 ZINC000904174132 621542309 /nfs/dbraw/zinc/54/23/09/621542309.db2.gz UFHBTMIJEBMARQ-UHFFFAOYSA-N -1 3 295.354 2.996 20 30 CFEDHM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)C[C@H]2C[C@H]2C1 ZINC000904177856 621543006 /nfs/dbraw/zinc/54/30/06/621543006.db2.gz QKGLSFISGGYNOF-JYAVWHMHSA-N -1 3 263.312 2.980 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@@H](OC)C(F)(F)F ZINC000904207190 621544109 /nfs/dbraw/zinc/54/41/09/621544109.db2.gz UQVUEOJDWCGCGP-SECBINFHSA-N -1 3 271.279 2.752 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000904209330 621544952 /nfs/dbraw/zinc/54/49/52/621544952.db2.gz ZGTLGMIYBYMYGI-NSHDSACASA-N -1 3 251.326 2.817 20 30 CFEDHM CCCCN([O-])C(=O)c1cnc([C@H](C)OCC)s1 ZINC000904210434 621545003 /nfs/dbraw/zinc/54/50/03/621545003.db2.gz PUIRVCXFJOBEJE-VIFPVBQESA-N -1 3 272.370 2.872 20 30 CFEDHM CCCCN([O-])C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000904209289 621545066 /nfs/dbraw/zinc/54/50/66/621545066.db2.gz XTYZBVUGTUTKQN-UHFFFAOYSA-N -1 3 265.309 2.739 20 30 CFEDHM CCCCN([O-])C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000904210378 621545076 /nfs/dbraw/zinc/54/50/76/621545076.db2.gz NMTVTKFVTAMKQW-UHFFFAOYSA-N -1 3 288.388 2.698 20 30 CFEDHM CCCCN([O-])C(=O)CCOCc1ccc(OC)cc1 ZINC000904210262 621545099 /nfs/dbraw/zinc/54/50/99/621545099.db2.gz JQJJDZYVFYNWIA-UHFFFAOYSA-N -1 3 281.352 2.620 20 30 CFEDHM CN1CCCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904188680 621545513 /nfs/dbraw/zinc/54/55/13/621545513.db2.gz JKVGOQKSVZHCPA-CYBMUJFWSA-N -1 3 282.771 2.542 20 30 CFEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1cnn(C)c1 ZINC000904188970 621546018 /nfs/dbraw/zinc/54/60/18/621546018.db2.gz USWAWIRSQWHBOZ-JTQLQIEISA-N -1 3 293.754 2.595 20 30 CFEDHM O=C(N([O-])Cc1ccccc1Cl)C12CC(C1)C2 ZINC000904192348 621546431 /nfs/dbraw/zinc/54/64/31/621546431.db2.gz IXVGUIDHFNHPPL-UHFFFAOYSA-N -1 3 251.713 2.858 20 30 CFEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)n1cccn1 ZINC000904193897 621547267 /nfs/dbraw/zinc/54/72/67/621547267.db2.gz YPPFRXQNGRAAMV-NSHDSACASA-N -1 3 293.754 2.906 20 30 CFEDHM C[C@H]1COCC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197511 621548177 /nfs/dbraw/zinc/54/81/77/621548177.db2.gz FVPPLSACTJGMKU-HOCLYGCPSA-N -1 3 291.391 2.900 20 30 CFEDHM CO[C@H](C(=O)N([O-])CCCCc1ccccc1)C1CC1 ZINC000904197914 621548856 /nfs/dbraw/zinc/54/88/56/621548856.db2.gz QALHGXMGLCKESB-HNNXBMFYSA-N -1 3 277.364 2.652 20 30 CFEDHM CO[C@@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904201467 621549021 /nfs/dbraw/zinc/54/90/21/621549021.db2.gz UQWZUBOJVXNBKF-ZDUSSCGKSA-N -1 3 265.353 2.652 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000904212163 621553679 /nfs/dbraw/zinc/55/36/79/621553679.db2.gz LSUBCCUFSCPUHH-NEPJUHHUSA-N -1 3 255.358 2.646 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1C[C@H]2CCC[C@H]2C1 ZINC000905439372 621772107 /nfs/dbraw/zinc/77/21/07/621772107.db2.gz QBMUTRJXPWQXNG-OKILXGFUSA-N -1 3 292.404 2.672 20 30 CFEDHM CC(=NOC[C@H]1CCOC1)c1ccc([O-])cc1Cl ZINC000905462348 621779303 /nfs/dbraw/zinc/77/93/03/621779303.db2.gz ISILFMCTAHKPAK-JTQLQIEISA-N -1 3 269.728 2.823 20 30 CFEDHM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000908529029 622239661 /nfs/dbraw/zinc/23/96/61/622239661.db2.gz HZWFRCHVESFWFK-CQSZACIVSA-N -1 3 276.286 2.568 20 30 CFEDHM CCCCCCCCCCC(=O)N[C@@H]1CCN([O-])C1=O ZINC000820156539 622618934 /nfs/dbraw/zinc/61/89/34/622618934.db2.gz KWGZTUGGSNWSQZ-CYBMUJFWSA-N -1 3 284.400 2.624 20 30 CFEDHM CC(C)(C#N)CNCc1cccc(Br)c1[O-] ZINC000164692521 622963967 /nfs/dbraw/zinc/96/39/67/622963967.db2.gz OPSHSEKQVJVKEY-UHFFFAOYSA-N -1 3 283.169 2.794 20 30 CFEDHM C=CCO[N-]C(=O)C1(CCCOCc2ccccc2)CC1 ZINC000821891333 623002949 /nfs/dbraw/zinc/00/29/49/623002949.db2.gz BCBCMTSVKWYQNF-UHFFFAOYSA-N -1 3 289.375 2.997 20 30 CFEDHM CCOc1cc(C=NNC2CC2)cc(Br)c1[O-] ZINC000758132836 623500728 /nfs/dbraw/zinc/50/07/28/623500728.db2.gz LJDYULXFGJRVQQ-UHFFFAOYSA-N -1 3 299.168 2.639 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000825565734 623716894 /nfs/dbraw/zinc/71/68/94/623716894.db2.gz JRLNDGSKWDCRAT-CABCVRRESA-N -1 3 259.349 2.879 20 30 CFEDHM C=CCO[N-]C(=O)Cc1cc(Br)ccc1C ZINC000837049119 624082992 /nfs/dbraw/zinc/08/29/92/624082992.db2.gz AGQSUFMSQZIKRM-UHFFFAOYSA-N -1 3 284.153 2.534 20 30 CFEDHM N#Cc1cccc(O[N-]C(=O)C[C@H]2CCCC2(F)F)c1 ZINC000828147773 624186150 /nfs/dbraw/zinc/18/61/50/624186150.db2.gz GAPQCYLUDZIIDH-LLVKDONJSA-N -1 3 280.274 2.794 20 30 CFEDHM Cc1cc(NN=Cc2cc(Cl)ccc2[O-])nc(C)n1 ZINC000915967899 624196076 /nfs/dbraw/zinc/19/60/76/624196076.db2.gz LRWWLYNHAYFPHH-UHFFFAOYSA-N -1 3 276.727 2.898 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[C@@H](O)C1 ZINC000915982944 624201310 /nfs/dbraw/zinc/20/13/10/624201310.db2.gz JLAQPFPFZWMWSX-GTZAAGPCSA-N -1 3 253.729 2.768 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[C@H](O)C1 ZINC000915982946 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CC(C)[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1nncn1C ZINC000794682513 629674585 /nfs/dbraw/zinc/67/45/85/629674585.db2.gz WZGBBGLYNXXJRB-DFWYYUMKSA-N -1 3 292.770 2.990 20 30 CFEDHM Cc1cnn(C)c1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000794707248 629677273 /nfs/dbraw/zinc/67/72/73/629677273.db2.gz LNMSVMQQLIWVFR-FNORWQNLSA-N -1 3 256.305 2.639 20 30 CFEDHM Cc1c([O-])ccc2c(CN([C@@H](C)C#N)C3CC3)cc(=O)oc12 ZINC000852480142 634755446 /nfs/dbraw/zinc/75/54/46/634755446.db2.gz NXNSHMGCTXWDSQ-JTQLQIEISA-N -1 3 298.342 2.684 20 30 CFEDHM CC(=O)N1CCC[C@H](C/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000794835279 629692609 /nfs/dbraw/zinc/69/26/09/629692609.db2.gz WNNIZCBPSGBKEQ-UDPFGDFPSA-N -1 3 294.782 2.723 20 30 CFEDHM CC(N=Nc1ncccc1F)c1sccc1[O-] ZINC000794983590 629716672 /nfs/dbraw/zinc/71/66/72/629716672.db2.gz BUKWHKKOOJMRIV-UHFFFAOYSA-N -1 3 251.286 2.824 20 30 CFEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000797548674 630078435 /nfs/dbraw/zinc/07/84/35/630078435.db2.gz LAXCAZBJHDREFU-CYBMUJFWSA-N -1 3 282.299 2.803 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20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc(OC)cc1OC ZINC000846549936 632738736 /nfs/dbraw/zinc/73/87/36/632738736.db2.gz URMICMMKCFCASB-LBPRGKRZSA-N -1 3 293.363 2.649 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(OC(C)C)c1 ZINC000846551508 632740059 /nfs/dbraw/zinc/74/00/59/632740059.db2.gz TUSUIRCGRIFCPJ-LBPRGKRZSA-N -1 3 263.337 2.639 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(OC/C=C/C)c1 ZINC000846554962 632741701 /nfs/dbraw/zinc/74/17/01/632741701.db2.gz PFZUXDZRCIHJIC-BPJJOFIESA-N -1 3 275.348 2.806 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)cccc1Cl ZINC000846554739 632741838 /nfs/dbraw/zinc/74/18/38/632741838.db2.gz LUCRLFCORVLCJI-SNVBAGLBSA-N -1 3 253.729 2.813 20 30 CFEDHM C=CCn1cc(CN[C@@H](C)c2ccc(Cl)cc2[O-])nn1 ZINC000818347946 632836068 /nfs/dbraw/zinc/83/60/68/632836068.db2.gz XETCZWWUWWDTJW-JTQLQIEISA-N -1 3 292.770 2.674 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)C2CCC(F)CC2)c1[O-] ZINC000852999192 634871352 /nfs/dbraw/zinc/87/13/52/634871352.db2.gz XXCALWSGGDQTIX-VAYPDZMISA-N -1 3 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3 298.346 2.566 20 30 CFEDHM C=CC(C)(C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000878912778 644072541 /nfs/dbraw/zinc/07/25/41/644072541.db2.gz OWHMRWNBFSYGEL-UHFFFAOYSA-N -1 3 251.301 2.750 20 30 CFEDHM N#CCOc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000128195595 644526268 /nfs/dbraw/zinc/52/62/68/644526268.db2.gz PHTDOBZTLLERNV-UHFFFAOYSA-N -1 3 286.262 2.686 20 30 CFEDHM NC(=O)[C@@H]1CCC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000130115524 645454086 /nfs/dbraw/zinc/45/40/86/645454086.db2.gz FHHOLURFAHQSGL-GPNDMUCLSA-N -1 3 280.755 2.509 20 30 CFEDHM N#CCCCOc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000131746771 645802603 /nfs/dbraw/zinc/80/26/03/645802603.db2.gz CJOQLSCXFUAXPT-VOTSOKGWSA-N -1 3 281.315 2.623 20 30 CFEDHM COC[C@H](/N=C\c1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000887271934 647257612 /nfs/dbraw/zinc/25/76/12/647257612.db2.gz CCVXGEHIEVDZJD-XRBDPVLLSA-N -1 3 297.782 2.906 20 30 CFEDHM CC[C@H](NCc1nccs1)c1cccc(C#N)c1[O-] ZINC000924731447 648038029 /nfs/dbraw/zinc/03/80/29/648038029.db2.gz 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RRNWKNMHYHJKSP-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCOc3ccccc32)[n-]1 ZINC001225469606 775468782 /nfs/dbraw/zinc/46/87/82/775468782.db2.gz MJGYOUQOMIXWJK-OAHLLOKOSA-N -1 3 282.299 2.870 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccccn2)[n-]1 ZINC001225469838 775468815 /nfs/dbraw/zinc/46/88/15/775468815.db2.gz OTCRCRMHABQGDQ-SNVBAGLBSA-N -1 3 255.277 2.502 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCOc3ccccc32)[n-]1 ZINC001225469603 775469119 /nfs/dbraw/zinc/46/91/19/775469119.db2.gz MJGYOUQOMIXWJK-HNNXBMFYSA-N -1 3 282.299 2.870 20 30 CFEDHM COCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001211641684 775531184 /nfs/dbraw/zinc/53/11/84/775531184.db2.gz AHFKOXBQLOLHFT-UHFFFAOYSA-N -1 3 270.288 2.990 20 30 CFEDHM Cc1ccc2c(c1)[C@@H](Oc1nccc(/C=N/[O-])n1)CC2 ZINC001226253160 775755595 /nfs/dbraw/zinc/75/55/95/775755595.db2.gz FKXZCALVQSZABP-VEJKBTLKSA-N -1 3 269.304 2.659 20 30 CFEDHM C=C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226256980 775757915 /nfs/dbraw/zinc/75/79/15/775757915.db2.gz XKHYUXJXHDBQGQ-RKPNYOAGSA-N -1 3 255.277 2.591 20 30 CFEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)nnc1C ZINC001226464826 775834685 /nfs/dbraw/zinc/83/46/85/775834685.db2.gz SWBMWEFKONGHDT-DLOVCJGASA-N -1 3 263.341 2.645 20 30 CFEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cc(=O)[n-]c(C)n2)O1 ZINC001226510560 775852314 /nfs/dbraw/zinc/85/23/14/775852314.db2.gz LTCZOTWCVNEKSA-IAQYHMDHSA-N -1 3 278.352 2.772 20 30 CFEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cc(=O)[n-]c(C)n2)O1 ZINC001226510559 775852773 /nfs/dbraw/zinc/85/27/73/775852773.db2.gz LTCZOTWCVNEKSA-ABAIWWIYSA-N -1 3 278.352 2.772 20 30 CFEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(C)n2)O1 ZINC001226510564 775853433 /nfs/dbraw/zinc/85/34/33/775853433.db2.gz LTCZOTWCVNEKSA-XHDPSFHLSA-N -1 3 278.352 2.772 20 30 CFEDHM CCC#C[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531530 775862452 /nfs/dbraw/zinc/86/24/52/775862452.db2.gz CBJWVRRZZBNEKO-LLVKDONJSA-N -1 3 272.300 2.988 20 30 CFEDHM CC#C[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532796 775864015 /nfs/dbraw/zinc/86/40/15/775864015.db2.gz VFKPCVPFWNOTCL-NSHDSACASA-N -1 3 272.300 2.988 20 30 CFEDHM C#C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C(C)C ZINC001226599397 775887425 /nfs/dbraw/zinc/88/74/25/775887425.db2.gz MPJUPXSXXWRVRG-GFCCVEGCSA-N -1 3 258.273 2.535 20 30 CFEDHM CCC[C@@H](C#Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093218 776092702 /nfs/dbraw/zinc/09/27/02/776092702.db2.gz IWGWRIPCBMNBHW-AWEZNQCLSA-N -1 3 268.316 2.781 20 30 CFEDHM C=CCOc1ccccc1[C@H](C)Oc1ccc(=O)[n-]n1 ZINC001227093148 776092718 /nfs/dbraw/zinc/09/27/18/776092718.db2.gz HIEMTLQCAJXQPY-NSHDSACASA-N -1 3 272.304 2.887 20 30 CFEDHM CC1(C)CC(=O)CC[C@@H]1Oc1cc(C#N)ccc1[O-] ZINC001227350190 776182905 /nfs/dbraw/zinc/18/29/05/776182905.db2.gz LFZYDBVSIPFZLA-AWEZNQCLSA-N -1 3 259.305 2.790 20 30 CFEDHM CC(C)CCOC(=O)[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351662 776183171 /nfs/dbraw/zinc/18/31/71/776183171.db2.gz XBTOQRSKUOZSNI-NSHDSACASA-N -1 3 277.320 2.620 20 30 CFEDHM C#CC[C@@H](CC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227582681 776235676 /nfs/dbraw/zinc/23/56/76/776235676.db2.gz CSCDWCJXROCUSR-SECBINFHSA-N -1 3 259.227 2.987 20 30 CFEDHM C=CCC(CC=C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693894 776260861 /nfs/dbraw/zinc/26/08/61/776260861.db2.gz ZPGPWNZWRWTIMS-UHFFFAOYSA-N -1 3 274.280 2.766 20 30 CFEDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)[C@H](C)S ZINC001227746307 776277217 /nfs/dbraw/zinc/27/72/17/776277217.db2.gz RDWKDQUGVKCFJJ-RQJHMYQMSA-N -1 3 267.310 2.557 20 30 CFEDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)[C@H](C)S ZINC001227746307 776277221 /nfs/dbraw/zinc/27/72/21/776277221.db2.gz RDWKDQUGVKCFJJ-RQJHMYQMSA-N -1 3 267.310 2.557 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824782 776300141 /nfs/dbraw/zinc/30/01/41/776300141.db2.gz JZQOXSXZKYDLAX-NSHDSACASA-N -1 3 289.331 2.557 20 30 CFEDHM C=CCC[C@@H](CC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824374 776300843 /nfs/dbraw/zinc/30/08/43/776300843.db2.gz FSJXPQVXVOXVBP-SNVBAGLBSA-N -1 3 265.309 2.697 20 30 CFEDHM CC#C[C@H](CC)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228676424 776563346 /nfs/dbraw/zinc/56/33/46/776563346.db2.gz FNUGOVIUDIVRMM-JTQLQIEISA-N -1 3 273.292 2.960 20 30 CFEDHM CC#C[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676424 776563352 /nfs/dbraw/zinc/56/33/52/776563352.db2.gz FNUGOVIUDIVRMM-JTQLQIEISA-N -1 3 273.292 2.960 20 30 CFEDHM C#C[C@H](CCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228687855 776568927 /nfs/dbraw/zinc/56/89/27/776568927.db2.gz CLNCXOYRMIYDDU-SNVBAGLBSA-N -1 3 264.281 2.575 20 30 CFEDHM C=CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)C ZINC001228687847 776569903 /nfs/dbraw/zinc/56/99/03/776569903.db2.gz CIFRVVGQMQYXDS-SNVBAGLBSA-N -1 3 266.297 2.983 20 30 CFEDHM C=CCC(CC=C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695248 776570717 /nfs/dbraw/zinc/57/07/17/776570717.db2.gz KRYCNDIUBHGWHK-UHFFFAOYSA-N -1 3 256.309 2.766 20 30 CFEDHM C=CCC(CC=C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695248 776570720 /nfs/dbraw/zinc/57/07/20/776570720.db2.gz KRYCNDIUBHGWHK-UHFFFAOYSA-N -1 3 256.309 2.766 20 30 CFEDHM C=CCC(CC=C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695248 776570727 /nfs/dbraw/zinc/57/07/27/776570727.db2.gz KRYCNDIUBHGWHK-UHFFFAOYSA-N -1 3 256.309 2.766 20 30 CFEDHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1C#N ZINC001228697001 776571345 /nfs/dbraw/zinc/57/13/45/776571345.db2.gz CYGFXAZQHPPMOH-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1C#N ZINC001228697001 776571352 /nfs/dbraw/zinc/57/13/52/776571352.db2.gz CYGFXAZQHPPMOH-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1C#N ZINC001228697001 776571357 /nfs/dbraw/zinc/57/13/57/776571357.db2.gz CYGFXAZQHPPMOH-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C=C[C@@H](CCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700723 776576439 /nfs/dbraw/zinc/57/64/39/776576439.db2.gz XLQSVNPGHWIEDN-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM N#C[C@H]1CC[C@@H](Oc2cc3c(cc2[O-])CCC3=O)C1 ZINC001228859474 776636944 /nfs/dbraw/zinc/63/69/44/776636944.db2.gz WYDZHWFESVSNQL-GXSJLCMTSA-N -1 3 257.289 2.592 20 30 CFEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1C=CC(=O)C1 ZINC001228959999 776669583 /nfs/dbraw/zinc/66/95/83/776669583.db2.gz RUOYKQGBVQEYFJ-LBPRGKRZSA-N -1 3 274.316 2.995 20 30 CFEDHM C=C[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229098596 776716865 /nfs/dbraw/zinc/71/68/65/776716865.db2.gz GDTGUIYKHFHIFT-LURJTMIESA-N -1 3 259.099 2.814 20 30 CFEDHM CCC1=C(Oc2ncc([O-])c3ccccc32)C(=O)[C@@H](C)O1 ZINC001229143238 776732388 /nfs/dbraw/zinc/73/23/88/776732388.db2.gz GEPPMUWHKQGNGY-SECBINFHSA-N -1 3 285.299 2.929 20 30 CFEDHM Cc1csc2[n-]c(=S)nc(O[C@H](C)CS)c12 ZINC001229353314 776787863 /nfs/dbraw/zinc/78/78/63/776787863.db2.gz NAEVVPUVTBXNTA-ZCFIWIBFSA-N -1 3 272.420 2.986 20 30 CFEDHM Cc1nc(O[C@@H](CC#N)c2ccccc2)c(C)c(=O)[n-]1 ZINC001229685370 776871857 /nfs/dbraw/zinc/87/18/57/776871857.db2.gz LRZPCWGHTDJRSQ-ZDUSSCGKSA-N -1 3 269.304 2.833 20 30 CFEDHM [O-]c1ccccc1/N=C/c1ccccc1OC[C@H]1COCO1 ZINC001229932717 776920126 /nfs/dbraw/zinc/92/01/26/776920126.db2.gz GPLIAJKRWBOPPY-UHPUNMKFSA-N -1 3 299.326 2.895 20 30 CFEDHM C=CCC[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229951093 776923239 /nfs/dbraw/zinc/92/32/39/776923239.db2.gz PSSNAIKRVUBPMM-LLVKDONJSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CCC[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229951093 776923244 /nfs/dbraw/zinc/92/32/44/776923244.db2.gz PSSNAIKRVUBPMM-LLVKDONJSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ccccc1-c1nnn[n-]1 ZINC001229952113 776923000 /nfs/dbraw/zinc/92/30/00/776923000.db2.gz YHLXFELMDBKETP-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ccccc1-c1nn[n-]n1 ZINC001229952113 776923006 /nfs/dbraw/zinc/92/30/06/776923006.db2.gz YHLXFELMDBKETP-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C#C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229955025 776924499 /nfs/dbraw/zinc/92/44/99/776924499.db2.gz RENMWKXMNVFYPN-AWEZNQCLSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229955025 776924503 /nfs/dbraw/zinc/92/45/03/776924503.db2.gz RENMWKXMNVFYPN-AWEZNQCLSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001231119031 777147426 /nfs/dbraw/zinc/14/74/26/777147426.db2.gz YCXNFLPFJOUJJM-HNNXBMFYSA-N -1 3 276.299 2.620 20 30 CFEDHM C#C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001231119031 777147433 /nfs/dbraw/zinc/14/74/33/777147433.db2.gz YCXNFLPFJOUJJM-HNNXBMFYSA-N -1 3 276.299 2.620 20 30 CFEDHM N#C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001231121894 777148969 /nfs/dbraw/zinc/14/89/69/777148969.db2.gz PAPYRIZRDYNGHJ-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001231121894 777148971 /nfs/dbraw/zinc/14/89/71/777148971.db2.gz PAPYRIZRDYNGHJ-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM CC1(C#N)CN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231524869 777251695 /nfs/dbraw/zinc/25/16/95/777251695.db2.gz XFSSQWYZPCGOTH-UHFFFAOYSA-N -1 3 270.254 2.756 20 30 CFEDHM CCN(Cc1ccccn1)Cc1cc(C#N)ccc1[O-] ZINC001232679076 777640438 /nfs/dbraw/zinc/64/04/38/777640438.db2.gz ZPWOQBZOEWHMJH-UHFFFAOYSA-N -1 3 267.332 2.681 20 30 CFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2occc2C)c1 ZINC000127134981 777878551 /nfs/dbraw/zinc/87/85/51/777878551.db2.gz AYVRHKKNUMBDPX-ZDUSSCGKSA-N -1 3 298.298 2.558 20 30 CFEDHM COc1ccc2c(c1)CN(Cc1ccc(C#N)cc1[O-])CC2 ZINC001233383639 777927634 /nfs/dbraw/zinc/92/76/34/777927634.db2.gz PGXDPDRPNDCPHF-UHFFFAOYSA-N -1 3 294.354 2.831 20 30 CFEDHM N#CC=C([O-])c1ccccc1OC[C@@H]1CCC=CO1 ZINC001233522093 777976615 /nfs/dbraw/zinc/97/66/15/777976615.db2.gz AXDSOKIFLUVOSD-LBPRGKRZSA-N -1 3 257.289 2.854 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC[C@H]1CCC=CO1 ZINC001233799517 778080014 /nfs/dbraw/zinc/08/00/14/778080014.db2.gz KJNPYDJVDLFCPL-KMHUVPDISA-N -1 3 263.293 2.575 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC1CCC(OC)CC1 ZINC001233801974 778081526 /nfs/dbraw/zinc/08/15/26/778081526.db2.gz FLEBKMDTZCHXBE-MHWRWJLKSA-N -1 3 279.336 2.840 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCOC(C)(C)C1 ZINC001233801954 778082740 /nfs/dbraw/zinc/08/27/40/778082740.db2.gz FFSIHTUVQQIGNX-HMHNVIDESA-N -1 3 279.336 2.840 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCCC[C@@H]1OC ZINC001233807530 778085372 /nfs/dbraw/zinc/08/53/72/778085372.db2.gz VBTPQIAOESZQQU-MUEVSNKISA-N -1 3 279.336 2.840 20 30 CFEDHM CC[C@H]1OC(=O)C(Oc2ccc(C(C)=N[O-])cc2)=C1C ZINC001234083595 778160950 /nfs/dbraw/zinc/16/09/50/778160950.db2.gz PDNSVTUHXUIPLE-CYBMUJFWSA-N -1 3 275.304 2.873 20 30 CFEDHM CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc([O-])cc(C#N)c1 ZINC001234144106 778174808 /nfs/dbraw/zinc/17/48/08/778174808.db2.gz JEEHNDSGAKBTRW-HUUCEWRRSA-N -1 3 289.331 2.765 20 30 CFEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccncc1F ZINC001234144828 778176205 /nfs/dbraw/zinc/17/62/05/778176205.db2.gz WDVXEIWBNKFNSB-VIFPVBQESA-N -1 3 258.252 2.938 20 30 CFEDHM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])cc(C#N)c1 ZINC001234144707 778176237 /nfs/dbraw/zinc/17/62/37/778176237.db2.gz TWCDNKPYBPJOQL-HWPZZCPQSA-N -1 3 266.300 2.766 20 30 CFEDHM N#CC1CC(Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096240 778250642 /nfs/dbraw/zinc/25/06/42/778250642.db2.gz AJCRTNHXVVTXIP-UHFFFAOYSA-N -1 3 284.109 2.541 20 30 CFEDHM C=C[C@@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790699 778298892 /nfs/dbraw/zinc/29/88/92/778298892.db2.gz JGCIBCKFDJKZKW-MRVPVSSYSA-N -1 3 250.294 2.865 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccsc1 ZINC000127979009 778465599 /nfs/dbraw/zinc/46/55/99/778465599.db2.gz PGZNMMPOMBFGPK-GFCCVEGCSA-N -1 3 270.313 2.709 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236688132 778910538 /nfs/dbraw/zinc/91/05/38/778910538.db2.gz RDHAFIPZNRMJJE-NSHDSACASA-N -1 3 295.180 2.890 20 30 CFEDHM N#C[C@H]1CCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236688459 778910795 /nfs/dbraw/zinc/91/07/95/778910795.db2.gz UZZZOVPNZJWJFY-SNVBAGLBSA-N -1 3 281.153 2.500 20 30 CFEDHM C#CCN(CC#C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236803728 778945035 /nfs/dbraw/zinc/94/50/35/778945035.db2.gz OLMNVJHHTLEDKB-UHFFFAOYSA-N -1 3 268.143 2.767 20 30 CFEDHM N#C[C@@H]1C[C@H](F)CN1Cc1cc2ccccc2cc1[O-] ZINC001236838679 778962782 /nfs/dbraw/zinc/96/27/82/778962782.db2.gz ZIEJRRBRBABWBC-GJZGRUSLSA-N -1 3 270.307 2.981 20 30 CFEDHM CCC1=C(Oc2ccc(C(C)=N[O-])cc2)C(=O)[C@@H](C)O1 ZINC001234083485 779131102 /nfs/dbraw/zinc/13/11/02/779131102.db2.gz MNEPPFHSGIGZRN-SNVBAGLBSA-N -1 3 275.304 2.873 20 30 CFEDHM CC(C)CCOC(=O)[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144908 779141619 /nfs/dbraw/zinc/14/16/19/779141619.db2.gz XGTLLWCVYJRBTO-LLVKDONJSA-N -1 3 277.320 2.620 20 30 CFEDHM Cc1cc([O-])c(CN2CC(C)(C#N)C2)cc1Br ZINC001237678180 779159897 /nfs/dbraw/zinc/15/98/97/779159897.db2.gz VUAWOYWPSQPKRW-UHFFFAOYSA-N -1 3 295.180 2.809 20 30 CFEDHM Cc1cc([O-])c(CN(C)[C@H](C)C#N)cc1Br ZINC001237686766 779161786 /nfs/dbraw/zinc/16/17/86/779161786.db2.gz XVTXZGKBAVABPF-SECBINFHSA-N -1 3 283.169 2.807 20 30 CFEDHM COc1cc(-c2ccc3c(c2)CC/C3=N/[O-])cnc1OC ZINC001240622433 780301511 /nfs/dbraw/zinc/30/15/11/780301511.db2.gz UGZGCFACUIJBSW-JXAWBTAJSA-N -1 3 284.315 2.890 20 30 CFEDHM C#C[C@@](C)(CC)NC(=O)c1cc([O-])cc(Br)c1 ZINC000700682088 780710896 /nfs/dbraw/zinc/71/08/96/780710896.db2.gz FPQMAGFILRIJFX-ZDUSSCGKSA-N -1 3 296.164 2.686 20 30 CFEDHM N#Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)nc2ccccc12 ZINC001241445219 780898061 /nfs/dbraw/zinc/89/80/61/780898061.db2.gz WTXPMIGMYAVAFI-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC001241445219 780898069 /nfs/dbraw/zinc/89/80/69/780898069.db2.gz WTXPMIGMYAVAFI-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC001241445770 780898336 /nfs/dbraw/zinc/89/83/36/780898336.db2.gz XMKKKOKBWVVBCA-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC001241445770 780898345 /nfs/dbraw/zinc/89/83/45/780898345.db2.gz XMKKKOKBWVVBCA-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM CCNC(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001241617728 781022029 /nfs/dbraw/zinc/02/20/29/781022029.db2.gz DRYVHRXGMRNZRW-UHFFFAOYSA-N -1 3 268.316 2.911 20 30 CFEDHM Nc1n[nH]c2ccc(-c3cccc(/C=N/[O-])c3)cc12 ZINC001241728454 781099651 /nfs/dbraw/zinc/09/96/51/781099651.db2.gz QGKHQPJWJVQYSB-LZYBPNLTSA-N -1 3 252.277 2.620 20 30 CFEDHM C#CCCCCC(=O)[N-]OCCCC(F)(F)F ZINC000710047610 781327180 /nfs/dbraw/zinc/32/71/80/781327180.db2.gz NRWWRRCQHLJFSL-UHFFFAOYSA-N -1 3 251.248 2.570 20 30 CFEDHM C#Cc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001242294431 781373942 /nfs/dbraw/zinc/37/39/42/781373942.db2.gz FNVSVTYYNNWPCV-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM C#Cc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001242294431 781373952 /nfs/dbraw/zinc/37/39/52/781373952.db2.gz FNVSVTYYNNWPCV-UHFFFAOYSA-N -1 3 264.263 2.654 20 30 CFEDHM Cc1cc(C#N)cc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001242480662 781533624 /nfs/dbraw/zinc/53/36/24/781533624.db2.gz NUZNVESXTWXAMY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)cc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001242480662 781533631 /nfs/dbraw/zinc/53/36/31/781533631.db2.gz NUZNVESXTWXAMY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM COC(=N)c1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565506 781604854 /nfs/dbraw/zinc/60/48/54/781604854.db2.gz HYOJGNSUSAYGIV-UHFFFAOYSA-N -1 3 252.273 2.903 20 30 CFEDHM CSc1ncc(C#N)c(-c2cc([O-])ccc2F)n1 ZINC001242760961 781744997 /nfs/dbraw/zinc/74/49/97/781744997.db2.gz IUQSXIITULGMRJ-UHFFFAOYSA-N -1 3 261.281 2.582 20 30 CFEDHM COC(=O)c1cc(C#N)cc(-c2cc([O-])ccc2F)c1 ZINC001242765244 781749943 /nfs/dbraw/zinc/74/99/43/781749943.db2.gz WGUVAUBSQHGMBE-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM N#Cc1ccnnc1-c1cc([O-])cc(OC(F)(F)F)c1 ZINC001242986911 781901906 /nfs/dbraw/zinc/90/19/06/781901906.db2.gz VCNGFAHHCBZDQQ-UHFFFAOYSA-N -1 3 281.193 2.619 20 30 CFEDHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594814724 349488329 /nfs/dbraw/zinc/48/83/29/349488329.db2.gz YPZUWAOXNDOUSV-SNVBAGLBSA-N -1 3 298.383 2.800 20 30 CFEDHM N#CC1(C[N-]S(=O)(=O)c2cccs2)CCCCC1 ZINC000594869455 349491569 /nfs/dbraw/zinc/49/15/69/349491569.db2.gz LHFVZZIBSLVGCG-UHFFFAOYSA-N -1 3 284.406 2.500 20 30 CFEDHM Cc1ccc([O-])c(CNCC2(C#N)CCCCC2)n1 ZINC000594981258 349537963 /nfs/dbraw/zinc/53/79/63/349537963.db2.gz MNVTZDHXJIPBJQ-UHFFFAOYSA-N -1 3 259.353 2.659 20 30 CFEDHM CCCCOCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596054326 349782691 /nfs/dbraw/zinc/78/26/91/349782691.db2.gz DMKXBYALHREFFH-UHFFFAOYSA-N -1 3 273.789 2.709 20 30 CFEDHM CN1CCCC(C)(C)[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596216720 349829648 /nfs/dbraw/zinc/82/96/48/349829648.db2.gz LCQAFMRNWMEILE-JTQLQIEISA-N -1 3 298.843 2.622 20 30 CFEDHM C=CCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596300120 349856166 /nfs/dbraw/zinc/85/61/66/349856166.db2.gz UAHLOWNKRJLZIB-UHFFFAOYSA-N -1 3 251.286 2.854 20 30 CFEDHM N#CCC1(CSCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000596365733 349879137 /nfs/dbraw/zinc/87/91/37/349879137.db2.gz JURNPQHAZLBNAG-UHFFFAOYSA-N -1 3 275.377 2.987 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)o1 ZINC000075441878 347077718 /nfs/dbraw/zinc/07/77/18/347077718.db2.gz STHYXRWDJNUCTD-CYBMUJFWSA-N -1 3 269.304 2.793 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccccc2)c1[O-] ZINC000005110455 346210732 /nfs/dbraw/zinc/21/07/32/346210732.db2.gz SRDVBCDHTSXRDT-KECVIQKOSA-N -1 3 270.332 2.768 20 30 CFEDHM COC(=O)C[C@H](C)/N=C/c1c([O-])ccc2ccccc21 ZINC000016936778 346239338 /nfs/dbraw/zinc/23/93/38/346239338.db2.gz LNWMGGRXTVSCRS-MUOOZZNISA-N -1 3 271.316 2.916 20 30 CFEDHM CCOc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000054808825 346577011 /nfs/dbraw/zinc/57/70/11/346577011.db2.gz GXUOCJRFPKKIME-OAHLLOKOSA-N -1 3 295.342 2.982 20 30 CFEDHM O=C(COC1CCCC1)Nc1nnc(-c2ccco2)[n-]1 ZINC000076462333 347140546 /nfs/dbraw/zinc/14/05/46/347140546.db2.gz ZDDDXPRZYQYZFK-UHFFFAOYSA-N -1 3 276.296 2.612 20 30 CFEDHM O=C(COC1CCCC1)Nc1nc(-c2ccco2)n[n-]1 ZINC000076462333 347140548 /nfs/dbraw/zinc/14/05/48/347140548.db2.gz ZDDDXPRZYQYZFK-UHFFFAOYSA-N -1 3 276.296 2.612 20 30 CFEDHM O=C(COC1CCCC1)Nc1n[n-]c(-c2ccco2)n1 ZINC000076462333 347140550 /nfs/dbraw/zinc/14/05/50/347140550.db2.gz ZDDDXPRZYQYZFK-UHFFFAOYSA-N -1 3 276.296 2.612 20 30 CFEDHM N#C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000093135147 347662263 /nfs/dbraw/zinc/66/22/63/347662263.db2.gz AGHGJPLMOYTSHQ-QGZVFWFLSA-N -1 3 294.354 2.784 20 30 CFEDHM N#C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000093135149 347662482 /nfs/dbraw/zinc/66/24/82/347662482.db2.gz AGHGJPLMOYTSHQ-KRWDZBQOSA-N -1 3 294.354 2.784 20 30 CFEDHM C[C@H](C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094062334 347690560 /nfs/dbraw/zinc/69/05/60/347690560.db2.gz NJJOMGCXAZZZPH-CYBMUJFWSA-N -1 3 294.354 2.819 20 30 CFEDHM CCc1cccc(C(=O)N(CCC#N)CC2CC2)c1[O-] ZINC000094107383 347691596 /nfs/dbraw/zinc/69/15/96/347691596.db2.gz LYHONPVQXCIKAW-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(C)(C)C#N)s1 ZINC000120899088 347809156 /nfs/dbraw/zinc/80/91/56/347809156.db2.gz UZICHTYNDQFGQI-UHFFFAOYSA-N -1 3 286.422 2.626 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000116906010 347789230 /nfs/dbraw/zinc/78/92/30/347789230.db2.gz QNXRMMXZMRVZFY-VIFPVBQESA-N -1 3 293.310 2.948 20 30 CFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000227302763 348185757 /nfs/dbraw/zinc/18/57/57/348185757.db2.gz MNFXYSSLDFZAFN-UHFFFAOYSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C[C@H](C)C#N)c(=O)c2c1 ZINC000274970594 348335538 /nfs/dbraw/zinc/33/55/38/348335538.db2.gz SXVCKFVFYSOYNL-LLVKDONJSA-N -1 3 297.358 2.789 20 30 CFEDHM N#CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000279491861 348339886 /nfs/dbraw/zinc/33/98/86/348339886.db2.gz JFEAZQCHCWIEQH-UHFFFAOYSA-N -1 3 266.300 2.674 20 30 CFEDHM C=CCCCCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000364214614 348509188 /nfs/dbraw/zinc/50/91/88/348509188.db2.gz HIAUEOOPTJRCIT-UHFFFAOYSA-N -1 3 298.390 2.997 20 30 CFEDHM C[C@@H](CC#N)NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000589511417 348837318 /nfs/dbraw/zinc/83/73/18/348837318.db2.gz JHEOAKTWQGPUCB-QMMMGPOBSA-N -1 3 258.243 2.803 20 30 CFEDHM N#Cc1[n-]c(=NCCCOC2CCCC2)sc1Cl ZINC000590575943 348910709 /nfs/dbraw/zinc/91/07/09/348910709.db2.gz ZFYURZCISKRFDN-UHFFFAOYSA-N -1 3 285.800 2.851 20 30 CFEDHM CCOc1cc(CN2CC[C@](F)(C#N)C2)cc(Cl)c1[O-] ZINC000590962082 348972933 /nfs/dbraw/zinc/97/29/33/348972933.db2.gz QYGPEYRFFCEZLZ-AWEZNQCLSA-N -1 3 298.745 2.882 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(SC)c1 ZINC000593217911 349229465 /nfs/dbraw/zinc/22/94/65/349229465.db2.gz DOROGGLIRGBOKF-LLVKDONJSA-N -1 3 284.406 2.761 20 30 CFEDHM CC1(C)CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593550959 349292172 /nfs/dbraw/zinc/29/21/72/349292172.db2.gz OSTIPZNIIVHQEO-UHFFFAOYSA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@H](C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000593559054 349292762 /nfs/dbraw/zinc/29/27/62/349292762.db2.gz WJLBABRVSNHFAI-SSDOTTSWSA-N -1 3 283.125 2.643 20 30 CFEDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593588284 349295299 /nfs/dbraw/zinc/29/52/99/349295299.db2.gz KBKMJGDRGUGOER-UHFFFAOYSA-N -1 3 286.422 2.580 20 30 CFEDHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593601948 349297259 /nfs/dbraw/zinc/29/72/59/349297259.db2.gz ZSQORJGFSJXUCG-UHFFFAOYSA-N -1 3 286.422 2.723 20 30 CFEDHM CC[C@H](C#N)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000593614140 349298942 /nfs/dbraw/zinc/29/89/42/349298942.db2.gz ZILSEXMJLQRAPL-WDEREUQCSA-N -1 3 258.321 2.782 20 30 CFEDHM CCC(C#N)=C([O-])N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000593482875 349280314 /nfs/dbraw/zinc/28/03/14/349280314.db2.gz UEVRKWGFDHODMC-LLVKDONJSA-N -1 3 274.368 2.758 20 30 CFEDHM COc1ccc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)o1 ZINC000594002906 349351498 /nfs/dbraw/zinc/35/14/98/349351498.db2.gz UQVZWVXLRJOCBY-UHFFFAOYSA-N -1 3 297.314 2.686 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NCC2(C#N)CCCC2)c1 ZINC000593775104 349323708 /nfs/dbraw/zinc/32/37/08/349323708.db2.gz KFQATVWONFUTFW-UHFFFAOYSA-N -1 3 272.348 2.768 20 30 CFEDHM CC[C@@](C)(C#N)NC(=O)c1cc(SC)ccc1[O-] ZINC000597036206 350019452 /nfs/dbraw/zinc/01/94/52/350019452.db2.gz ODQLNQIOZKGDKI-ZDUSSCGKSA-N -1 3 264.350 2.536 20 30 CFEDHM CSc1ccc([O-])c(C(=O)NCC2(C#N)CCCC2)c1 ZINC000597811971 350139201 /nfs/dbraw/zinc/13/92/01/350139201.db2.gz MOKLVOXJHSJDTN-UHFFFAOYSA-N -1 3 290.388 2.928 20 30 CFEDHM Cc1ccc(C(=O)NCC2(C#N)CCCCC2)c([O-])c1 ZINC000598310764 350232081 /nfs/dbraw/zinc/23/20/81/350232081.db2.gz MGRRGNFVZGBIHO-UHFFFAOYSA-N -1 3 272.348 2.905 20 30 CFEDHM C[C@]1(C#N)CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000598415377 350263303 /nfs/dbraw/zinc/26/33/03/350263303.db2.gz PGIQWKPVUXSLRX-CYBMUJFWSA-N -1 3 298.264 2.787 20 30 CFEDHM N#CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000598894915 350345664 /nfs/dbraw/zinc/34/56/64/350345664.db2.gz UNLVZXKKTNTGGT-UHFFFAOYSA-N -1 3 284.237 2.587 20 30 CFEDHM C=CC(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599117095 350378158 /nfs/dbraw/zinc/37/81/58/350378158.db2.gz KXUKOZPMNUGTDF-UHFFFAOYSA-N -1 3 251.286 2.710 20 30 CFEDHM C=C(C)C[C@@H](N=c1[n-]c(C(F)(F)F)cs1)C(=O)OC ZINC000601227930 350703606 /nfs/dbraw/zinc/70/36/06/350703606.db2.gz USXNPMZGWHVPTP-SSDOTTSWSA-N -1 3 294.298 2.504 20 30 CFEDHM CCc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C(C)C ZINC000601948685 350815333 /nfs/dbraw/zinc/81/53/33/350815333.db2.gz XTTRNHGVBUGUMK-HNNXBMFYSA-N -1 3 269.348 2.939 20 30 CFEDHM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c([O-])c1C ZINC000601820054 350785156 /nfs/dbraw/zinc/78/51/56/350785156.db2.gz MNCGZOQJHNEPEG-OCCSQVGLSA-N -1 3 272.348 2.773 20 30 CFEDHM CC(C)(C)CCS(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC000601979176 350822601 /nfs/dbraw/zinc/82/26/01/350822601.db2.gz IELNFFGJVYBTNT-UHFFFAOYSA-N -1 3 284.356 2.875 20 30 CFEDHM N#C[C@@H]1CCC[C@@H](NCc2cccc(C(=O)[O-])c2)C1 ZINC000602071610 350837851 /nfs/dbraw/zinc/83/78/51/350837851.db2.gz WPYSOYGXRMRHAQ-BXUZGUMPSA-N -1 3 258.321 2.557 20 30 CFEDHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)C#N)c1-c1cccc(Cl)c1 ZINC000610354579 351558831 /nfs/dbraw/zinc/55/88/31/351558831.db2.gz NBTRQQBNFRRAFD-QMMMGPOBSA-N -1 3 288.738 2.559 20 30 CFEDHM CC[C@@H](C)CON=c1c(C#N)n[n-]c2ccccc21 ZINC000291985826 198125940 /nfs/dbraw/zinc/12/59/40/198125940.db2.gz XLFCISONSYEPFL-SNVBAGLBSA-N -1 3 256.309 2.891 20 30 CFEDHM C=CCN(C(=O)c1cccc(CC)c1[O-])[C@H](C)COC ZINC000617580807 352596289 /nfs/dbraw/zinc/59/62/89/352596289.db2.gz GABWJLFRJHYXMJ-GFCCVEGCSA-N -1 3 277.364 2.618 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000617779455 352642321 /nfs/dbraw/zinc/64/23/21/352642321.db2.gz BBPHGDVDZGAJMK-JTQLQIEISA-N -1 3 288.326 2.525 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000617779455 352642325 /nfs/dbraw/zinc/64/23/25/352642325.db2.gz BBPHGDVDZGAJMK-JTQLQIEISA-N -1 3 288.326 2.525 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000617779455 352642330 /nfs/dbraw/zinc/64/23/30/352642330.db2.gz BBPHGDVDZGAJMK-JTQLQIEISA-N -1 3 288.326 2.525 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000617779456 352642349 /nfs/dbraw/zinc/64/23/49/352642349.db2.gz BBPHGDVDZGAJMK-SNVBAGLBSA-N -1 3 288.326 2.525 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000617779456 352642351 /nfs/dbraw/zinc/64/23/51/352642351.db2.gz BBPHGDVDZGAJMK-SNVBAGLBSA-N -1 3 288.326 2.525 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000617779456 352642353 /nfs/dbraw/zinc/64/23/53/352642353.db2.gz BBPHGDVDZGAJMK-SNVBAGLBSA-N -1 3 288.326 2.525 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000617789131 352647644 /nfs/dbraw/zinc/64/76/44/352647644.db2.gz ZKCOSNWJTBDHQB-CYBMUJFWSA-N -1 3 296.370 2.956 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)ccc1[O-] ZINC000620314456 353151128 /nfs/dbraw/zinc/15/11/28/353151128.db2.gz GPECZUAWPKVCJV-TXEJJXNPSA-N -1 3 273.332 2.724 20 30 CFEDHM C=C[C@@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621909687 353443528 /nfs/dbraw/zinc/44/35/28/353443528.db2.gz KKWINYRZVHUAJN-SSDOTTSWSA-N -1 3 259.227 2.715 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000624974484 353963276 /nfs/dbraw/zinc/96/32/76/353963276.db2.gz OZYWQNAWLZDWQY-VIFPVBQESA-N -1 3 275.320 2.516 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625243458 354003260 /nfs/dbraw/zinc/00/32/60/354003260.db2.gz BUZUXMAFPMATMR-UHFFFAOYSA-N -1 3 275.320 2.518 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1sccc1OC ZINC000625328491 354023775 /nfs/dbraw/zinc/02/37/75/354023775.db2.gz UXMVBMWXZMEPAD-UHFFFAOYSA-N -1 3 289.422 2.637 20 30 CFEDHM C=CC[C@H]1CCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000628490193 354606038 /nfs/dbraw/zinc/60/60/38/354606038.db2.gz RMJNHADKYHQKDK-LBPRGKRZSA-N -1 3 259.349 2.993 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1csc(C)c1C ZINC000630458808 355088674 /nfs/dbraw/zinc/08/86/74/355088674.db2.gz GANJSVWJXSKWQB-GFCCVEGCSA-N -1 3 253.367 2.874 20 30 CFEDHM C=CCCC(C)(C)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000633966029 356045599 /nfs/dbraw/zinc/04/55/99/356045599.db2.gz BPMRVSUOHIURLK-UHFFFAOYSA-N -1 3 289.379 2.782 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000297386481 200171857 /nfs/dbraw/zinc/17/18/57/200171857.db2.gz DUIJKKFCVNZPCL-UHFFFAOYSA-N -1 3 277.320 2.720 20 30 CFEDHM C#CCN(CC#C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000297865868 200296007 /nfs/dbraw/zinc/29/60/07/200296007.db2.gz PLGQOLOZJGLDIV-UHFFFAOYSA-N -1 3 277.751 2.513 20 30 CFEDHM O=C(C1CC1)N1CC=C(c2cc(/C=N/[O-])ccc2F)CC1 ZINC001243028486 781939920 /nfs/dbraw/zinc/93/99/20/781939920.db2.gz FGESQYWUUMUNCV-VCHYOVAHSA-N -1 3 288.322 2.660 20 30 CFEDHM O=C(N[O-])C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000671995909 541410912 /nfs/dbraw/zinc/41/09/12/541410912.db2.gz MIUWLHBEZMICCK-UHFFFAOYSA-N -1 3 259.227 2.633 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)[nH]1 ZINC000674300047 541556403 /nfs/dbraw/zinc/55/64/03/541556403.db2.gz XDFQLMRRZXLPRL-GFCCVEGCSA-N -1 3 293.330 2.701 20 30 CFEDHM COc1cccc(C(=O)Nc2ccc(F)c(C#N)c2)c1[O-] ZINC000051637547 373403212 /nfs/dbraw/zinc/40/32/12/373403212.db2.gz LLNKQHPQEQJLBF-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM N#Cc1ccc(/C=C\C(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000492524119 246317489 /nfs/dbraw/zinc/31/74/89/246317489.db2.gz ZILIPBQDXMHLLD-YFHOEESVSA-N -1 3 296.301 2.959 20 30 CFEDHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1ccccn1 ZINC000107408651 375806212 /nfs/dbraw/zinc/80/62/12/375806212.db2.gz QJAOXCSLVWDNSJ-CYBMUJFWSA-N -1 3 290.282 2.622 20 30 CFEDHM CC(C)(C#N)CNCc1cc([O-])ccc1Br ZINC000134976423 378071172 /nfs/dbraw/zinc/07/11/72/378071172.db2.gz GETKWQNGBOJKQU-UHFFFAOYSA-N -1 3 283.169 2.794 20 30 CFEDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000328816258 378428658 /nfs/dbraw/zinc/42/86/58/378428658.db2.gz OMLKSPYJIIKAIP-LPEHRKFASA-N -1 3 299.396 2.650 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000157762222 378659802 /nfs/dbraw/zinc/65/98/02/378659802.db2.gz YURRFHUCFRXGRX-UHFFFAOYSA-N -1 3 278.333 2.659 20 30 CFEDHM N#CC(=C([O-])c1sccc1C#N)c1ccccn1 ZINC000158693517 378671360 /nfs/dbraw/zinc/67/13/60/378671360.db2.gz HVHQSNSWZOPUIZ-JTQLQIEISA-N -1 3 253.286 2.505 20 30 CFEDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000332496880 378771318 /nfs/dbraw/zinc/77/13/18/378771318.db2.gz YMJBSUWWAXSWBX-LBPRGKRZSA-N -1 3 298.795 2.679 20 30 CFEDHM C#CCC(CC#C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000278708225 194113252 /nfs/dbraw/zinc/11/32/52/194113252.db2.gz BTFNCQXXADPLHJ-UHFFFAOYSA-N -1 3 275.735 2.955 20 30 CFEDHM O=C1OCCN1CCC/N=C/c1c([O-])ccc2ccccc21 ZINC000170839443 379174037 /nfs/dbraw/zinc/17/40/37/379174037.db2.gz NTRJHYNHKRSITG-LDADJPATSA-N -1 3 298.342 2.807 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336258238 380298635 /nfs/dbraw/zinc/29/86/35/380298635.db2.gz ZAWXBALCUYWOBW-GFCCVEGCSA-N -1 3 263.312 2.641 20 30 CFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000336260477 380300913 /nfs/dbraw/zinc/30/09/13/380300913.db2.gz VIFLGFWWEKMHBC-VIFPVBQESA-N -1 3 294.763 2.684 20 30 CFEDHM N#CC1(C(=O)[N-]c2nncn2-c2ccccc2)CCCCC1 ZINC000181114996 380742862 /nfs/dbraw/zinc/74/28/62/380742862.db2.gz ONGYULQKVLPMGU-UHFFFAOYSA-N -1 3 295.346 2.680 20 30 CFEDHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000181484830 380805914 /nfs/dbraw/zinc/80/59/14/380805914.db2.gz WQLWYWAENBYHGH-LBPRGKRZSA-N -1 3 282.347 2.832 20 30 CFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000182011263 380964072 /nfs/dbraw/zinc/96/40/72/380964072.db2.gz JOUCDJIUODRUQQ-BXUZGUMPSA-N -1 3 296.367 2.576 20 30 CFEDHM CC1(C)C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C(C)(C)O1 ZINC000182048483 380976275 /nfs/dbraw/zinc/97/62/75/380976275.db2.gz PQIXHIQDXOMTDY-FNQVVVRFSA-N -1 3 279.336 2.568 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000182644522 381127104 /nfs/dbraw/zinc/12/71/04/381127104.db2.gz FMLWFHJWWWYUHC-LLVKDONJSA-N -1 3 293.363 2.884 20 30 CFEDHM C=CC(C)(C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000296034647 381221633 /nfs/dbraw/zinc/22/16/33/381221633.db2.gz VLRGPFTZOVMXHG-UHFFFAOYSA-N -1 3 260.293 2.914 20 30 CFEDHM N#CCc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049458746 412944820 /nfs/dbraw/zinc/94/48/20/412944820.db2.gz ADQKTNVHXYZDSM-AWEZNQCLSA-N -1 3 261.284 2.638 20 30 CFEDHM N#Cc1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000184139797 381376685 /nfs/dbraw/zinc/37/66/85/381376685.db2.gz JXOVMTYLJBZCLV-UHFFFAOYSA-N -1 3 256.280 2.693 20 30 CFEDHM CC(C)OCc1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1[O-] ZINC000290655303 381511295 /nfs/dbraw/zinc/51/12/95/381511295.db2.gz RFNQOEQDEUWOHC-UHFFFAOYSA-N -1 3 299.330 2.769 20 30 CFEDHM C=CCOCC(=O)N=c1cc(-c2ccc(CCC)cc2)[n-][nH]1 ZINC000355556460 381782077 /nfs/dbraw/zinc/78/20/77/381782077.db2.gz NTDSVFVVAADOLX-UHFFFAOYSA-N -1 3 299.374 2.592 20 30 CFEDHM C=CCOCC(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000355568710 381783986 /nfs/dbraw/zinc/78/39/86/381783986.db2.gz FQMCCGIGQWSHHS-UHFFFAOYSA-N -1 3 299.374 2.565 20 30 CFEDHM C=CCC1(C(=O)Nc2nnc(-c3ccco3)[n-]2)CCC1 ZINC000299357892 381909510 /nfs/dbraw/zinc/90/95/10/381909510.db2.gz RDWIDDJLRYXQSM-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM C=CCC1(C(=O)Nc2nc(-c3ccco3)n[n-]2)CCC1 ZINC000299357892 381909515 /nfs/dbraw/zinc/90/95/15/381909515.db2.gz RDWIDDJLRYXQSM-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCC1 ZINC000299357892 381909518 /nfs/dbraw/zinc/90/95/18/381909518.db2.gz RDWIDDJLRYXQSM-UHFFFAOYSA-N -1 3 272.308 2.750 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362250601 381978153 /nfs/dbraw/zinc/97/81/53/381978153.db2.gz MTAJKWJTTMOZJD-UHFFFAOYSA-N -1 3 295.302 2.706 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362250601 381978157 /nfs/dbraw/zinc/97/81/57/381978157.db2.gz MTAJKWJTTMOZJD-UHFFFAOYSA-N -1 3 295.302 2.706 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362250601 381978164 /nfs/dbraw/zinc/97/81/64/381978164.db2.gz MTAJKWJTTMOZJD-UHFFFAOYSA-N -1 3 295.302 2.706 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000351565469 382044496 /nfs/dbraw/zinc/04/44/96/382044496.db2.gz BGQDNROVFCCHFV-UHFFFAOYSA-N -1 3 293.310 2.739 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000351581763 382046919 /nfs/dbraw/zinc/04/69/19/382046919.db2.gz NRUIVPDCMRCQFL-UHFFFAOYSA-N -1 3 275.320 2.599 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000293478440 382140366 /nfs/dbraw/zinc/14/03/66/382140366.db2.gz URYZPGFUPJCQGL-MRVPVSSYSA-N -1 3 260.309 2.840 20 30 CFEDHM N#Cc1ccnc([N-]C(=O)c2cc(-c3ccccc3)no2)c1 ZINC000357430274 382167648 /nfs/dbraw/zinc/16/76/48/382167648.db2.gz WVYIIBZBSYYGMK-UHFFFAOYSA-N -1 3 290.282 2.861 20 30 CFEDHM C=CC[C@H](CO)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000302143564 382210184 /nfs/dbraw/zinc/21/01/84/382210184.db2.gz QDEYCQYWVRWHNH-LLVKDONJSA-N -1 3 279.727 2.739 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Cl ZINC000345993509 382326182 /nfs/dbraw/zinc/32/61/82/382326182.db2.gz NKCHHJUGLZGJHH-JTQLQIEISA-N -1 3 287.706 2.629 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000346472661 382376286 /nfs/dbraw/zinc/37/62/86/382376286.db2.gz FXGKQXUNTIXXQA-UHFFFAOYSA-N -1 3 299.440 2.980 20 30 CFEDHM C[C@H](CC#N)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188802970 382480826 /nfs/dbraw/zinc/48/08/26/382480826.db2.gz JVZYHARCTBZHKG-SSDOTTSWSA-N -1 3 294.767 2.824 20 30 CFEDHM C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000308731101 382485307 /nfs/dbraw/zinc/48/53/07/382485307.db2.gz SXMPCNCMVAXYTL-ZWNOBZJWSA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000442835882 382960266 /nfs/dbraw/zinc/96/02/66/382960266.db2.gz ZEEDPALYLRFBOU-MNOVXSKESA-N -1 3 298.383 2.800 20 30 CFEDHM C=CCC1(C(=O)Nc2cccc([O-])c2F)CCOCC1 ZINC000564867445 383172876 /nfs/dbraw/zinc/17/28/76/383172876.db2.gz WHBSQVFBPWQAPM-UHFFFAOYSA-N -1 3 279.311 2.843 20 30 CFEDHM COc1cccc(C(=O)Nc2ccccc2CC#N)c1[O-] ZINC000565646420 383180489 /nfs/dbraw/zinc/18/04/89/383180489.db2.gz GRCCJTJIGRCUKA-UHFFFAOYSA-N -1 3 282.299 2.719 20 30 CFEDHM C=CCN(Cc1ccc(OC)cc1)Cc1ncccc1[O-] ZINC000561946787 383156010 /nfs/dbraw/zinc/15/60/10/383156010.db2.gz LKNRKRLFRNGZBA-UHFFFAOYSA-N -1 3 284.359 2.984 20 30 CFEDHM C=CCCCN(C)[C@H](C(=O)[O-])c1ccccc1F ZINC000566979331 383230516 /nfs/dbraw/zinc/23/05/16/383230516.db2.gz SSEHXQXEXAPQGD-ZDUSSCGKSA-N -1 3 251.301 2.849 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000425200396 383339316 /nfs/dbraw/zinc/33/93/16/383339316.db2.gz KXIFLPLUPYAMLZ-UHFFFAOYSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000425200396 383339320 /nfs/dbraw/zinc/33/93/20/383339320.db2.gz KXIFLPLUPYAMLZ-UHFFFAOYSA-N -1 3 274.324 2.914 20 30 CFEDHM C=C(C)C(C)(C)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000425200396 383339325 /nfs/dbraw/zinc/33/93/25/383339325.db2.gz KXIFLPLUPYAMLZ-UHFFFAOYSA-N -1 3 274.324 2.914 20 30 CFEDHM CCCCOc1ccc(C(=O)NCC2(C#N)CC2)c([O-])c1 ZINC000568350253 383392859 /nfs/dbraw/zinc/39/28/59/383392859.db2.gz BIENHFGURXCRJN-UHFFFAOYSA-N -1 3 288.347 2.605 20 30 CFEDHM C=C(CC)CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000568641881 383422707 /nfs/dbraw/zinc/42/27/07/383422707.db2.gz UEMKMIQKXPJVFU-UHFFFAOYSA-N 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298.317 2.626 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000116905878 260008318 /nfs/dbraw/zinc/00/83/18/260008318.db2.gz HQZMYCPZUDLBES-MRVPVSSYSA-N -1 3 283.378 2.656 20 30 CFEDHM COc1c(C)cc(C([O-])=C(C#N)c2ccncn2)cc1C ZINC000354477879 533392900 /nfs/dbraw/zinc/39/29/00/533392900.db2.gz UCUVAUQRCQKELW-CYBMUJFWSA-N -1 3 281.315 2.592 20 30 CFEDHM C[C@H](CC#N)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345436546 533593637 /nfs/dbraw/zinc/59/36/37/533593637.db2.gz VWYHTUFSEGGZLE-LLVKDONJSA-N -1 3 278.327 2.615 20 30 CFEDHM CCn1nccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000682995043 542622794 /nfs/dbraw/zinc/62/27/94/542622794.db2.gz NVTDZFUWLRNRFS-AWEZNQCLSA-N -1 3 290.326 2.941 20 30 CFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000334233305 393583214 /nfs/dbraw/zinc/58/32/14/393583214.db2.gz XRJMCVUIZNQBDT-SSDOTTSWSA-N -1 3 293.175 2.574 20 30 CFEDHM N#Cc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)nc1 ZINC000088722122 393764565 /nfs/dbraw/zinc/76/45/65/393764565.db2.gz 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C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000345980308 162290336 /nfs/dbraw/zinc/29/03/36/162290336.db2.gz YKCZXMPPEAPPTM-JTQLQIEISA-N -1 3 296.367 2.554 20 30 CFEDHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000345980312 162291588 /nfs/dbraw/zinc/29/15/88/162291588.db2.gz YKCZXMPPEAPPTM-SNVBAGLBSA-N -1 3 296.367 2.554 20 30 CFEDHM COc1cccc(NC(=O)c2sccc2C#N)c1[O-] ZINC000352859255 163253183 /nfs/dbraw/zinc/25/31/83/163253183.db2.gz YSXYXPRNUVGESE-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2c(C3CC3)cnn2C)n1 ZINC000659010739 414429885 /nfs/dbraw/zinc/42/98/85/414429885.db2.gz YMDKJVPJXABCMA-SNVBAGLBSA-N -1 3 286.360 2.553 20 30 CFEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Cl ZINC000354468642 227003436 /nfs/dbraw/zinc/00/34/36/227003436.db2.gz PBGRWQQXANERBD-SNVBAGLBSA-N -1 3 287.706 2.629 20 30 CFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)[C@@H]1CC12CCCC2 ZINC000330084974 228035283 /nfs/dbraw/zinc/03/52/83/228035283.db2.gz CMJSKJOGULLRMP-ZETCQYMHSA-N -1 3 288.273 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CO[C@H](C)[C@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331246909 264179566 /nfs/dbraw/zinc/17/95/66/264179566.db2.gz VODVBPJKHAMGFX-VHSXEESVSA-N -1 3 293.363 2.834 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCSC2)cc1[O-] ZINC000331359014 264209313 /nfs/dbraw/zinc/20/93/13/264209313.db2.gz VXSXXXAMQVLZAN-JTQLQIEISA-N -1 3 279.361 2.653 20 30 CFEDHM CN(CC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094072656 265214558 /nfs/dbraw/zinc/21/45/58/265214558.db2.gz LYLIKXCMZLQHCK-UHFFFAOYSA-N -1 3 296.326 2.567 20 30 CFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000398291943 265580977 /nfs/dbraw/zinc/58/09/77/265580977.db2.gz ZEFBFBZPLLECHQ-SNVBAGLBSA-N -1 3 284.406 2.643 20 30 CFEDHM C=C(C)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368442739 267172281 /nfs/dbraw/zinc/17/22/81/267172281.db2.gz QXEYBCRRRYUQGY-UHFFFAOYSA-N -1 3 259.349 2.863 20 30 CFEDHM N#CC1(CNCc2cc([O-])ccc2Br)CCC1 ZINC000418140276 267361803 /nfs/dbraw/zinc/36/18/03/267361803.db2.gz JCQKUZLCOVWZPC-UHFFFAOYSA-N -1 3 295.180 2.938 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000293432648 276882379 /nfs/dbraw/zinc/88/23/79/276882379.db2.gz JCHOQNMBENIPLP-VIFPVBQESA-N -1 3 284.262 2.983 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000277740769 328222154 /nfs/dbraw/zinc/22/21/54/328222154.db2.gz BMGVEYVTWIGACC-CQSZACIVSA-N -1 3 272.348 2.855 20 30 CFEDHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000295561604 328285871 /nfs/dbraw/zinc/28/58/71/328285871.db2.gz NSMNSHDTMGIYMA-RYUDHWBXSA-N -1 3 258.321 2.513 20 30 CFEDHM N#CCc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000342133150 328417135 /nfs/dbraw/zinc/41/71/35/328417135.db2.gz DZLRUXHWGBFKDT-LJQANCHMSA-N -1 3 271.341 2.766 20 30 CFEDHM N#Cc1cccc(C[S@](=O)c2cccc([O-])c2)c1 ZINC000184061163 323934948 /nfs/dbraw/zinc/93/49/48/323934948.db2.gz QDNNUHHDOLAKSP-SFHVURJKSA-N -1 3 257.314 2.572 20 30 CFEDHM CC(=O)c1cccc(NC(=O)c2cc(C#N)cs2)c1[O-] ZINC000583456576 325289303 /nfs/dbraw/zinc/28/93/03/325289303.db2.gz LUCCPZWDNKAMOH-UHFFFAOYSA-N -1 3 286.312 2.780 20 30 CFEDHM C=CCC(C)(C)CNC(=O)c1ccc(OC)cc1[O-] ZINC000389019980 328603043 /nfs/dbraw/zinc/60/30/43/328603043.db2.gz ALQVKKQRFBAMEY-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000353163571 327367644 /nfs/dbraw/zinc/36/76/44/327367644.db2.gz CFBBKGGVYNWEAW-LLVKDONJSA-N -1 3 271.357 2.767 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(Cl)cn1 ZINC000561354440 327388536 /nfs/dbraw/zinc/38/85/36/327388536.db2.gz LQDFHDIDHDHMET-UHFFFAOYSA-N -1 3 282.756 2.510 20 30 CFEDHM C=CCC(C)(C)CNC(=O)c1cccc(OC)c1[O-] ZINC000389102844 328619885 /nfs/dbraw/zinc/61/98/85/328619885.db2.gz JDBITKPYXLSQSR-UHFFFAOYSA-N -1 3 263.337 2.733 20 30 CFEDHM C=C(C)CN(CC)[C@H](C(=O)[O-])c1ccccc1F ZINC000583698443 329069335 /nfs/dbraw/zinc/06/93/35/329069335.db2.gz ANXYQKAOCPTCAP-ZDUSSCGKSA-N -1 3 251.301 2.849 20 30 CFEDHM C=CCNc1ncc(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000180859747 329223695 /nfs/dbraw/zinc/22/36/95/329223695.db2.gz IJKVKUXOIBJJSD-UHFFFAOYSA-N -1 3 293.323 2.838 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(C)=O)c(Cl)c1 ZINC000181199843 329226623 /nfs/dbraw/zinc/22/66/23/329226623.db2.gz GIUCVMREPKTCCN-UHFFFAOYSA-N -1 3 287.768 2.860 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1CN=c1[n-]c(C(F)(F)F)cs1 ZINC000425275072 329654657 /nfs/dbraw/zinc/65/46/57/329654657.db2.gz BMCUZYGKEHKWLG-YUMQZZPRSA-N -1 3 278.299 2.587 20 30 CFEDHM C=CCN(CC=C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000078636187 329967353 /nfs/dbraw/zinc/96/73/53/329967353.db2.gz ZNRDFKZVKUEYJN-UHFFFAOYSA-N -1 3 295.342 2.843 20 30 CFEDHM CCc1ncsc1C([O-])=C(C#N)c1ccccn1 ZINC000160141548 330859749 /nfs/dbraw/zinc/85/97/49/330859749.db2.gz ZHLGBFHNTZXJJO-SECBINFHSA-N -1 3 257.318 2.591 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCC1=CCCCC1 ZINC000450866964 331003749 /nfs/dbraw/zinc/00/37/49/331003749.db2.gz GNFIMKYXHKFZOO-UHFFFAOYSA-N -1 3 251.355 2.762 20 30 CFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000450978424 331009791 /nfs/dbraw/zinc/00/97/91/331009791.db2.gz LYZPVLJCVMCSLU-ZDUSSCGKSA-N -1 3 286.441 2.814 20 30 CFEDHM Cc1csc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000450989142 331010513 /nfs/dbraw/zinc/01/05/13/331010513.db2.gz DJQBJQOAUBPEBL-ZWNOBZJWSA-N -1 3 298.433 2.807 20 30 CFEDHM C=CCC1(C[N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000451954233 331048186 /nfs/dbraw/zinc/04/81/86/331048186.db2.gz WRNUQYUJIYGEPC-UHFFFAOYSA-N -1 3 298.408 2.706 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000452039650 331051537 /nfs/dbraw/zinc/05/15/37/331051537.db2.gz HQNVAORANHEWDG-UHFFFAOYSA-N -1 3 265.787 2.646 20 30 CFEDHM C=C(C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452719840 331073581 /nfs/dbraw/zinc/07/35/81/331073581.db2.gz UMKBPSCRLKAYBX-UHFFFAOYSA-N -1 3 265.328 2.936 20 30 CFEDHM C=C(C)CN(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459391121 331279627 /nfs/dbraw/zinc/27/96/27/331279627.db2.gz BXZYFJKFTSNPQL-UHFFFAOYSA-N -1 3 269.348 2.857 20 30 CFEDHM N#CCCN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471868750 331522859 /nfs/dbraw/zinc/52/28/59/331522859.db2.gz GNXILIMFEAJGDE-UHFFFAOYSA-N -1 3 293.326 2.815 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000472325117 331535403 /nfs/dbraw/zinc/53/54/03/331535403.db2.gz HRDPPXIESYQXQY-MRVPVSSYSA-N -1 3 277.748 2.640 20 30 CFEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1ccccc1OCC ZINC000491523741 332229042 /nfs/dbraw/zinc/22/90/42/332229042.db2.gz GXJIGWDNBZJRAB-LLVKDONJSA-N -1 3 281.302 2.705 20 30 CFEDHM C#C[C@@H](C)N(C)Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000491693873 332290020 /nfs/dbraw/zinc/29/00/20/332290020.db2.gz JXCBVXVJOOEMSQ-SNVBAGLBSA-N -1 3 267.756 2.898 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)/C=C\c1cncc([O-])c1 ZINC000492471105 332399112 /nfs/dbraw/zinc/39/91/12/332399112.db2.gz HHPZYMZYQMAUCJ-KRZKBDHCSA-N -1 3 260.337 2.661 20 30 CFEDHM CC(C)(CC#N)CNC(=O)c1cc([O-])ccc1Cl ZINC000315753920 333383471 /nfs/dbraw/zinc/38/34/71/333383471.db2.gz HBKUVRUICCXUJR-UHFFFAOYSA-N -1 3 266.728 2.715 20 30 CFEDHM CCc1cc(C(=O)NCC#Cc2ccccc2)ccc1[O-] ZINC000552904304 334350152 /nfs/dbraw/zinc/35/01/52/334350152.db2.gz VKIRCUYDZJZINA-UHFFFAOYSA-N -1 3 279.339 2.736 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000180855801 335626825 /nfs/dbraw/zinc/62/68/25/335626825.db2.gz WTXOJQHVTFDSAF-ZDUSSCGKSA-N -1 3 299.440 2.562 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)Cc1c(F)cccc1C#N ZINC000336363040 524701660 /nfs/dbraw/zinc/70/16/60/524701660.db2.gz RTCGVTNQDGCLAL-UHFFFAOYSA-N -1 3 284.290 2.893 20 30 CFEDHM COc1ccc([O-])c(NC(=O)c2ccc(C#N)s2)c1 ZINC000340318625 524760143 /nfs/dbraw/zinc/76/01/43/524760143.db2.gz WQHUNQSVTBDIGM-UHFFFAOYSA-N -1 3 274.301 2.586 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)ccn2)c1[O-] ZINC000339424071 524877206 /nfs/dbraw/zinc/87/72/06/524877206.db2.gz TYDUWEGGKUTFKI-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM C=CC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000335956336 526974411 /nfs/dbraw/zinc/97/44/11/526974411.db2.gz GWSDTQQHLAPFFG-UHFFFAOYSA-N -1 3 282.343 2.566 20 30 CFEDHM C=CCCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000353853031 527097282 /nfs/dbraw/zinc/09/72/82/527097282.db2.gz QVZBAQRSODKDIR-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM C=CCCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000353853031 527097288 /nfs/dbraw/zinc/09/72/88/527097288.db2.gz QVZBAQRSODKDIR-UHFFFAOYSA-N -1 3 283.335 2.552 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)(C)C ZINC000435432091 535807003 /nfs/dbraw/zinc/80/70/03/535807003.db2.gz LLWZMPMCFBSIFR-SNVBAGLBSA-N -1 3 286.422 2.723 20 30 CFEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNC2CCCC2)c1 ZINC000727651723 574058601 /nfs/dbraw/zinc/05/86/01/574058601.db2.gz NGIPFNHIPCMLQL-UHFFFAOYSA-N -1 3 275.352 2.607 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1ccc(OCC#N)cc1 ZINC000727653037 574059315 /nfs/dbraw/zinc/05/93/15/574059315.db2.gz BCZKOPJXXLTONQ-UNOMPAQXSA-N -1 3 296.326 2.922 20 30 CFEDHM CC(N=Nc1ccc(Cl)nn1)c1ccc(F)cc1[O-] ZINC000727777655 574064646 /nfs/dbraw/zinc/06/46/46/574064646.db2.gz UUTSSFCIRGDYTB-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1[O-] ZINC000727778313 574065193 /nfs/dbraw/zinc/06/51/93/574065193.db2.gz CDJGEOBTFUMPSQ-UHFFFAOYSA-N -1 3 290.254 2.671 20 30 CFEDHM C=C(Cl)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000736687645 574066094 /nfs/dbraw/zinc/06/60/94/574066094.db2.gz CGDJCVRYIWUDKH-UHFFFAOYSA-N -1 3 265.740 2.753 20 30 CFEDHM N#CCN1CCC(/N=C\c2c([O-])ccc3ccccc32)CC1 ZINC000730434877 574081407 /nfs/dbraw/zinc/08/14/07/574081407.db2.gz UIODMPSBUAJLFG-MOSHPQCFSA-N -1 3 293.370 2.952 20 30 CFEDHM COC(=O)c1occc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728230144 574088189 /nfs/dbraw/zinc/08/81/89/574088189.db2.gz ALEZZQKFXYUEIA-ZZXKWVIFSA-N -1 3 286.283 2.976 20 30 CFEDHM O=c1ccc2cc(N=Cc3ccccc3[O-])ccc2[nH]1 ZINC000728437445 574096546 /nfs/dbraw/zinc/09/65/46/574096546.db2.gz DCZNTFUMCJOHTN-UHFFFAOYSA-N -1 3 264.284 2.984 20 30 CFEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000754368629 574101389 /nfs/dbraw/zinc/10/13/89/574101389.db2.gz MZUICISHZCEOQQ-LLVKDONJSA-N -1 3 271.694 2.960 20 30 CFEDHM Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737329066 574136217 /nfs/dbraw/zinc/13/62/17/574136217.db2.gz IXSNDZWMPIKZCF-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737329066 574136219 /nfs/dbraw/zinc/13/62/19/574136219.db2.gz IXSNDZWMPIKZCF-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM CN(Cc1cc(Cl)ccc1OCC#N)C(C)(C)C(=O)[O-] ZINC000737451578 574142379 /nfs/dbraw/zinc/14/23/79/574142379.db2.gz QIBXMOQRNMWMQU-UHFFFAOYSA-N -1 3 296.754 2.537 20 30 CFEDHM O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755462211 574163827 /nfs/dbraw/zinc/16/38/27/574163827.db2.gz QBSZKLJKWDEBER-UHFFFAOYSA-N -1 3 275.239 2.886 20 30 CFEDHM [O-]c1ccc(F)cc1CN=Nc1nncc2ccccc21 ZINC000755489870 574165142 /nfs/dbraw/zinc/16/51/42/574165142.db2.gz BFDSZBDDGRQFOV-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM [O-]c1ccccc1/C=N\C[C@@H](O)c1c(F)cccc1F ZINC000740763235 574176986 /nfs/dbraw/zinc/17/69/86/574176986.db2.gz CTASBUGGPRMWBY-NAQJVLLRSA-N -1 3 277.270 2.823 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1scnc1C ZINC000729150724 574179930 /nfs/dbraw/zinc/17/99/30/574179930.db2.gz XPBARCHAQHETRL-NSIKDUERSA-N -1 3 262.334 2.785 20 30 CFEDHM CC(N=Nc1nccnc1Cl)c1ccc([O-])cc1F ZINC000733079094 574186510 /nfs/dbraw/zinc/18/65/10/574186510.db2.gz UHKIGDOKIWKZFJ-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM O=c1[nH]c2c(cc1CN=Cc1ccccc1[O-])CCC2 ZINC000733080947 574187089 /nfs/dbraw/zinc/18/70/89/574187089.db2.gz HIFDONJCLYIDKQ-MFOYZWKCSA-N -1 3 268.316 2.601 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@H](C)C[C@H]2C)c1[O-] ZINC000733080996 574187194 /nfs/dbraw/zinc/18/71/94/574187194.db2.gz JJFOAKRFWHXXFI-QUSGQWSMSA-N -1 3 276.380 2.832 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2OCCc3ccccc32)c1O ZINC000733081181 574187206 /nfs/dbraw/zinc/18/72/06/574187206.db2.gz QFOYGKWQFNMXIK-QANDDYDISA-N -1 3 299.326 2.536 20 30 CFEDHM [O-]c1ccc(F)cc1CN=Nc1ncnc2ccsc21 ZINC000755792981 574187790 /nfs/dbraw/zinc/18/77/90/574187790.db2.gz KEDIOGHJGDNUQB-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000755819784 574189687 /nfs/dbraw/zinc/18/96/87/574189687.db2.gz GVXIXYDLXAYHBV-NSHDSACASA-N -1 3 282.290 2.595 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739054349 574194853 /nfs/dbraw/zinc/19/48/53/574194853.db2.gz QLLGCKYCUSSKOO-GXTWGEPZSA-N -1 3 287.363 2.551 20 30 CFEDHM N#Cc1ccc([C@H](NC/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000739108276 574199115 /nfs/dbraw/zinc/19/91/15/574199115.db2.gz UZVGUOMWPKOKTM-PFWMLDTASA-N -1 3 292.338 2.987 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000747708365 574207791 /nfs/dbraw/zinc/20/77/91/574207791.db2.gz XGJSDCSGFBDWDH-UNPQNOINSA-N -1 3 276.380 2.832 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cccc(C(F)(F)F)n2)n1 ZINC000739422353 574213310 /nfs/dbraw/zinc/21/33/10/574213310.db2.gz XKBASBLMSFXQJO-UHFFFAOYSA-N -1 3 296.252 2.955 20 30 CFEDHM Cc1ccc([O-])c(CN=Nc2cccc(C(F)(F)F)n2)n1 ZINC000739422353 574213316 /nfs/dbraw/zinc/21/33/16/574213316.db2.gz XKBASBLMSFXQJO-UHFFFAOYSA-N -1 3 296.252 2.955 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2C[C@H]2Cc2ccccc2)c1O ZINC000741464100 574291951 /nfs/dbraw/zinc/29/19/51/574291951.db2.gz KWOIFEJPMNLCGK-AHFBHCKLSA-N -1 3 283.327 2.854 20 30 CFEDHM Cc1ncc2c(n1)CCC[C@H]2/N=C\c1ccccc1[O-] ZINC000734752206 574301132 /nfs/dbraw/zinc/30/11/32/574301132.db2.gz BBCSNDAMTRVXHJ-BBSXFRJVSA-N -1 3 267.332 2.987 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@H]1CCCc2nc(C)ncc21 ZINC000734753296 574301515 /nfs/dbraw/zinc/30/15/15/574301515.db2.gz RCMXRUGSJHKFFM-VAODSVERSA-N -1 3 297.358 2.996 20 30 CFEDHM C=CC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735409395 574323725 /nfs/dbraw/zinc/32/37/25/574323725.db2.gz DXAMZPJUXHJYLD-SSDOTTSWSA-N -1 3 298.272 2.657 20 30 CFEDHM C=CC[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000735409395 574323728 /nfs/dbraw/zinc/32/37/28/574323728.db2.gz DXAMZPJUXHJYLD-SSDOTTSWSA-N -1 3 298.272 2.657 20 30 CFEDHM C=C(C)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735402085 574323946 /nfs/dbraw/zinc/32/39/46/574323946.db2.gz HLMBQWZUTSCHIA-UHFFFAOYSA-N -1 3 250.302 2.674 20 30 CFEDHM C=C(C)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735402085 574323947 /nfs/dbraw/zinc/32/39/47/574323947.db2.gz HLMBQWZUTSCHIA-UHFFFAOYSA-N -1 3 250.302 2.674 20 30 CFEDHM C=CCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000735417122 574324757 /nfs/dbraw/zinc/32/47/57/574324757.db2.gz ZCWVEGUNCOOPAY-UHFFFAOYSA-N -1 3 250.302 2.674 20 30 CFEDHM C=CCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000735417122 574324758 /nfs/dbraw/zinc/32/47/58/574324758.db2.gz ZCWVEGUNCOOPAY-UHFFFAOYSA-N -1 3 250.302 2.674 20 30 CFEDHM COc1cc(/C=C\C(=O)c2cncs2)cc(OC)c1[O-] ZINC000735792227 574335962 /nfs/dbraw/zinc/33/59/62/574335962.db2.gz AEYHYYIJUZDTQL-ARJAWSKDSA-N -1 3 291.328 2.762 20 30 CFEDHM C=CCCCN(C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736102130 574349877 /nfs/dbraw/zinc/34/98/77/574349877.db2.gz AXNRQLQKVKGMNR-UHFFFAOYSA-N -1 3 273.336 2.590 20 30 CFEDHM CC(=O)N1CCC(/N=C\c2c([O-])ccc3ccccc32)CC1 ZINC000743333910 574358815 /nfs/dbraw/zinc/35/88/15/574358815.db2.gz FMGBXDIHHMOSMI-UNOMPAQXSA-N -1 3 296.370 2.975 20 30 CFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2cc(C)cc3F)cc1 ZINC000750922932 574363337 /nfs/dbraw/zinc/36/33/37/574363337.db2.gz AKDSKGWPNHYOMF-UHFFFAOYSA-N -1 3 299.305 2.911 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2cccc(F)c2F)n1 ZINC000743443200 574364847 /nfs/dbraw/zinc/36/48/47/574364847.db2.gz BIOVWXGNMMWGBA-UHFFFAOYSA-N -1 3 263.247 2.820 20 30 CFEDHM Cn1cnc2cc(N=Cc3cccc([O-])c3O)ccc21 ZINC000743502225 574367433 /nfs/dbraw/zinc/36/74/33/574367433.db2.gz WSGBFELXPMIJTG-UHFFFAOYSA-N -1 3 267.288 2.735 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H](C)c1ccccn1 ZINC000743539275 574367706 /nfs/dbraw/zinc/36/77/06/574367706.db2.gz ZDBLZUNOPAOFLR-MUOOZZNISA-N -1 3 256.305 2.976 20 30 CFEDHM C=C(Br)CNC(=O)c1cccc(CC)c1[O-] ZINC000751387208 574376333 /nfs/dbraw/zinc/37/63/33/574376333.db2.gz SDQBVBZJPZJTKL-UHFFFAOYSA-N -1 3 284.153 2.593 20 30 CFEDHM N#Cc1ccc(C(=O)O[C@H]2CCc3ccccc32)[n-]1 ZINC000752484686 574391758 /nfs/dbraw/zinc/39/17/58/574391758.db2.gz WSGIMZHHWRTNPV-AWEZNQCLSA-N -1 3 252.273 2.731 20 30 CFEDHM CC(=Nn1cc(Br)cn1)c1ccc([O-])c(F)c1 ZINC000752745437 574394428 /nfs/dbraw/zinc/39/44/28/574394428.db2.gz BIQWBDRQABPRAO-UHFFFAOYSA-N -1 3 298.115 2.763 20 30 CFEDHM Cn1c(Cl)cnc1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000752885980 574396089 /nfs/dbraw/zinc/39/60/89/574396089.db2.gz KBCJLSDRUNHSTO-SOFGYWHQSA-N -1 3 274.707 2.602 20 30 CFEDHM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OCC ZINC000753539442 574404201 /nfs/dbraw/zinc/40/42/01/574404201.db2.gz LYIYXRQHRSDHKM-LLVKDONJSA-N -1 3 296.317 2.986 20 30 CFEDHM CCCCC(CC)N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821039662 607253483 /nfs/dbraw/zinc/25/34/83/607253483.db2.gz FZLLHNDGHFHFDW-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM CCCCC(CC)N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821039662 607253484 /nfs/dbraw/zinc/25/34/84/607253484.db2.gz FZLLHNDGHFHFDW-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM CC[C@@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820972274 607254434 /nfs/dbraw/zinc/25/44/34/607254434.db2.gz MBKDEBHYIIEHSA-GFCCVEGCSA-N -1 3 284.367 2.522 20 30 CFEDHM CC[C@@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820972274 607254435 /nfs/dbraw/zinc/25/44/35/607254435.db2.gz MBKDEBHYIIEHSA-GFCCVEGCSA-N -1 3 284.367 2.522 20 30 CFEDHM C=CCOc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819759291 599089361 /nfs/dbraw/zinc/08/93/61/599089361.db2.gz SHUUIVNWYCFJFH-UHFFFAOYSA-N -1 3 295.302 2.619 20 30 CFEDHM C=CCOc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819759291 599089364 /nfs/dbraw/zinc/08/93/64/599089364.db2.gz SHUUIVNWYCFJFH-UHFFFAOYSA-N -1 3 295.302 2.619 20 30 CFEDHM O=C(c1cccc([N+](=O)[O-])c1)N([O-])Cc1ccc(F)cc1 ZINC000900095368 620637242 /nfs/dbraw/zinc/63/72/42/620637242.db2.gz ANYLDBBSCZVIGU-UHFFFAOYSA-N -1 3 290.250 2.766 20 30 CFEDHM Cc1c[nH]nc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900095296 620637329 /nfs/dbraw/zinc/63/73/29/620637329.db2.gz XPJYJTMSBPHRAJ-UHFFFAOYSA-N -1 3 281.315 2.903 20 30 CFEDHM Cc1ncc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000900095964 620637548 /nfs/dbraw/zinc/63/75/48/620637548.db2.gz MQYJKEHHZOVRRT-UHFFFAOYSA-N -1 3 266.297 2.622 20 30 CFEDHM c1cc(N=NC2CC3(CCC3)C2)cc(-c2nnn[n-]2)c1 ZINC000823757088 607464398 /nfs/dbraw/zinc/46/43/98/607464398.db2.gz MFJJHIDMYLVJHG-UHFFFAOYSA-N -1 3 268.324 2.599 20 30 CFEDHM c1cc(N=NC2CC3(CCC3)C2)cc(-c2nn[n-]n2)c1 ZINC000823757088 607464400 /nfs/dbraw/zinc/46/44/00/607464400.db2.gz MFJJHIDMYLVJHG-UHFFFAOYSA-N -1 3 268.324 2.599 20 30 CFEDHM N#Cc1cccc([C@H](NCc2cccc(F)c2)C(=O)[O-])c1 ZINC000833075985 601299970 /nfs/dbraw/zinc/29/99/70/601299970.db2.gz PNCLIQVAJLDSLU-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM C#C[C@@H](CC)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000935631215 649924497 /nfs/dbraw/zinc/92/44/97/649924497.db2.gz SYDAODFENWUWAE-JTQLQIEISA-N -1 3 286.709 2.663 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133198 601919940 /nfs/dbraw/zinc/91/99/40/601919940.db2.gz SQFYXHJWFPZAFZ-FZMZJTMJSA-N -1 3 290.388 2.511 20 30 CFEDHM C=C(C)CNc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823878440 607643704 /nfs/dbraw/zinc/64/37/04/607643704.db2.gz ZEQWOOOMCGRYLB-UHFFFAOYSA-N -1 3 298.375 2.978 20 30 CFEDHM C=C(C)CNc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823878440 607643706 /nfs/dbraw/zinc/64/37/06/607643706.db2.gz ZEQWOOOMCGRYLB-UHFFFAOYSA-N -1 3 298.375 2.978 20 30 CFEDHM CCCC[C@@H](CNC(=O)[O-])NCc1ccc(C#N)s1 ZINC000826814826 603870960 /nfs/dbraw/zinc/87/09/60/603870960.db2.gz OBRSPQNHSIUDLV-JTQLQIEISA-N -1 3 281.381 2.536 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825624832 603977258 /nfs/dbraw/zinc/97/72/58/603977258.db2.gz ZITYEMCCUKDXNO-WQVCFCJDSA-N -1 3 299.374 2.836 20 30 CFEDHM C[C@@H]1C[C@@H](C)CN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591381 604602234 /nfs/dbraw/zinc/60/22/34/604602234.db2.gz LMKVMAMETDCMPP-VXGBXAGGSA-N -1 3 272.348 2.734 20 30 CFEDHM C[C@@H]1CC[C@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833602379 604614144 /nfs/dbraw/zinc/61/41/44/604614144.db2.gz IKKCXFAAHPIPKR-PHIMTYICSA-N -1 3 258.321 2.629 20 30 CFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2ccccc21 ZINC000823503731 606388188 /nfs/dbraw/zinc/38/81/88/606388188.db2.gz HXWQGJFAZPLCAK-CSKARUKUSA-N -1 3 294.339 2.751 20 30 CFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Oc2ccccc21 ZINC000823503034 606392916 /nfs/dbraw/zinc/39/29/16/606392916.db2.gz AILQMTXZFFJXRB-YRNVUSSQSA-N -1 3 296.311 2.544 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821476392 606470216 /nfs/dbraw/zinc/47/02/16/606470216.db2.gz OBUOQXJXNNPZAX-WEVVVXLNSA-N -1 3 294.314 2.918 20 30 CFEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821476392 606470217 /nfs/dbraw/zinc/47/02/17/606470217.db2.gz OBUOQXJXNNPZAX-WEVVVXLNSA-N -1 3 294.314 2.918 20 30 CFEDHM N#CCCCSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822807081 606629724 /nfs/dbraw/zinc/62/97/24/606629724.db2.gz YEADFTKXYMAZGP-UHFFFAOYSA-N -1 3 279.756 2.916 20 30 CFEDHM N#CCCCSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822807081 606629725 /nfs/dbraw/zinc/62/97/25/606629725.db2.gz YEADFTKXYMAZGP-UHFFFAOYSA-N -1 3 279.756 2.916 20 30 CFEDHM C=CCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000819750456 606764189 /nfs/dbraw/zinc/76/41/89/606764189.db2.gz FEUPCIRWDAHDIG-UHFFFAOYSA-N -1 3 294.318 2.652 20 30 CFEDHM C=CCCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819739972 606777886 /nfs/dbraw/zinc/77/78/86/606777886.db2.gz MCBMTVGSKZXUSJ-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM C=CCCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819739972 606777887 /nfs/dbraw/zinc/77/78/87/606777887.db2.gz MCBMTVGSKZXUSJ-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM C#CCCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819692401 606947329 /nfs/dbraw/zinc/94/73/29/606947329.db2.gz FJCWFNHEHZZXCL-UHFFFAOYSA-N -1 3 292.346 2.630 20 30 CFEDHM C#CCCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819692401 606947331 /nfs/dbraw/zinc/94/73/31/606947331.db2.gz FJCWFNHEHZZXCL-UHFFFAOYSA-N -1 3 292.346 2.630 20 30 CFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cccc(C#N)c1 ZINC000822221380 607041717 /nfs/dbraw/zinc/04/17/17/607041717.db2.gz MMTKEGOVHZCLCZ-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cccc(C#N)c1 ZINC000822221380 607041719 /nfs/dbraw/zinc/04/17/19/607041719.db2.gz MMTKEGOVHZCLCZ-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822198633 607147231 /nfs/dbraw/zinc/14/72/31/607147231.db2.gz CUEZCVWQVMFWFJ-UHFFFAOYSA-N -1 3 298.375 2.991 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000822379935 607252095 /nfs/dbraw/zinc/25/20/95/607252095.db2.gz WGWISDJBFAOTAE-AATRIKPKSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000822379935 607252096 /nfs/dbraw/zinc/25/20/96/607252096.db2.gz WGWISDJBFAOTAE-AATRIKPKSA-N -1 3 280.287 2.664 20 30 CFEDHM CCC#C[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000825029571 608198655 /nfs/dbraw/zinc/19/86/55/608198655.db2.gz WSGWIVJXPSQKTB-JTQLQIEISA-N -1 3 258.350 2.761 20 30 CFEDHM CCC#C[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000825029571 608198658 /nfs/dbraw/zinc/19/86/58/608198658.db2.gz WSGWIVJXPSQKTB-JTQLQIEISA-N -1 3 258.350 2.761 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823894402 608332935 /nfs/dbraw/zinc/33/29/35/608332935.db2.gz PHFKJUVYEACMMB-VIFPVBQESA-N -1 3 292.364 2.830 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823894402 608332936 /nfs/dbraw/zinc/33/29/36/608332936.db2.gz PHFKJUVYEACMMB-VIFPVBQESA-N -1 3 292.364 2.830 20 30 CFEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1 ZINC000823919803 608561289 /nfs/dbraw/zinc/56/12/89/608561289.db2.gz RKNYKGJXRCCIED-UHFFFAOYSA-N -1 3 295.346 2.648 20 30 CFEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1 ZINC000823919803 608561290 /nfs/dbraw/zinc/56/12/90/608561290.db2.gz RKNYKGJXRCCIED-UHFFFAOYSA-N -1 3 295.346 2.648 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@]12C[C@H]1COC21CCC1 ZINC000900679391 620701030 /nfs/dbraw/zinc/70/10/30/620701030.db2.gz PFVKSQSSZNNXOC-WFASDCNBSA-N -1 3 267.369 2.744 20 30 CFEDHM CC(C)[C@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000900679602 620701547 /nfs/dbraw/zinc/70/15/47/620701547.db2.gz SGJCKQLAHRSFFP-DZGCQCFKSA-N -1 3 295.354 2.995 20 30 CFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000824737465 609382437 /nfs/dbraw/zinc/38/24/37/609382437.db2.gz HOMGNJCCSFWJIJ-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H]1CCCC[C@H]1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824936633 609468580 /nfs/dbraw/zinc/46/85/80/609468580.db2.gz KRANHMUHHZTOEI-DOMZBBRYSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@@H]1CCCC[C@H]1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824936633 609468582 /nfs/dbraw/zinc/46/85/82/609468582.db2.gz KRANHMUHHZTOEI-DOMZBBRYSA-N -1 3 298.394 2.768 20 30 CFEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000804835036 617906440 /nfs/dbraw/zinc/90/64/40/617906440.db2.gz WVWHOAFPLUUTRN-UHFFFAOYSA-N -1 3 279.339 2.976 20 30 CFEDHM C#C[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000848923161 618034662 /nfs/dbraw/zinc/03/46/62/618034662.db2.gz ADUKHVFKDKGIHQ-JTQLQIEISA-N -1 3 251.276 2.516 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C(C)C)n[n-]2)o1 ZINC000176037878 617690721 /nfs/dbraw/zinc/69/07/21/617690721.db2.gz PFGVHHNGMCUJOD-ZDUSSCGKSA-N -1 3 273.292 2.683 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C(C)C)[n-]n2)o1 ZINC000176037878 617690725 /nfs/dbraw/zinc/69/07/25/617690725.db2.gz PFGVHHNGMCUJOD-ZDUSSCGKSA-N -1 3 273.292 2.683 20 30 CFEDHM CN1CCCc2cc(N=Cc3ccc(O)c([O-])c3O)ccc21 ZINC000255035141 617770259 /nfs/dbraw/zinc/77/02/59/617770259.db2.gz CYHCDQZPKSXMGQ-UHFFFAOYSA-N -1 3 298.342 2.936 20 30 CFEDHM C=CCCCN(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000890814809 617911332 /nfs/dbraw/zinc/91/13/32/617911332.db2.gz HJZSYWVENVNQAS-UHFFFAOYSA-N -1 3 263.337 2.829 20 30 CFEDHM CC(=NOCCOC(C)C)c1cc([O-])cc(F)c1 ZINC000901246555 620771449 /nfs/dbraw/zinc/77/14/49/620771449.db2.gz PYHKUXVMHDCYSU-UHFFFAOYSA-N -1 3 255.289 2.697 20 30 CFEDHM CC1(C)OCC[C@H]1NN=Cc1cc([O-])cc(Cl)c1 ZINC000901249256 620772050 /nfs/dbraw/zinc/77/20/50/620772050.db2.gz WBEPGTYQTQRHES-GFCCVEGCSA-N -1 3 268.744 2.537 20 30 CFEDHM CC(=NNC1CCSCC1)c1ccc(F)c([O-])c1 ZINC000901276229 620774710 /nfs/dbraw/zinc/77/47/10/620774710.db2.gz ISWICMVHJJXTRJ-UHFFFAOYSA-N -1 3 268.357 2.741 20 30 CFEDHM CC(=NN[C@H]1CCCSC1)c1ccc(F)c([O-])c1 ZINC000901277867 620775407 /nfs/dbraw/zinc/77/54/07/620775407.db2.gz IAWBZPVDAVCIHL-NSHDSACASA-N -1 3 268.357 2.741 20 30 CFEDHM N#Cc1ccccc1/C=C\C(=O)NCc1ccc([O-])c(F)c1 ZINC000255551323 618105336 /nfs/dbraw/zinc/10/53/36/618105336.db2.gz CBTPAHJNJHDGTE-VURMDHGXSA-N -1 3 296.301 2.733 20 30 CFEDHM COc1ccc(C)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255598791 618220949 /nfs/dbraw/zinc/22/09/49/618220949.db2.gz IOZOEJLUPBNECB-UHFFFAOYSA-N -1 3 273.288 2.871 20 30 CFEDHM COC1CC(C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000901369437 620796663 /nfs/dbraw/zinc/79/66/63/620796663.db2.gz CNPUJVYMLDJHQS-UHFFFAOYSA-N -1 3 285.343 2.983 20 30 CFEDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373026 620797961 /nfs/dbraw/zinc/79/79/61/620797961.db2.gz RLBAYAGHHGZZAI-HYNSBDGHSA-N -1 3 263.312 2.836 20 30 CFEDHM O=C(CCc1nccs1)N([O-])Cc1ccc(F)cc1 ZINC000901374847 620798522 /nfs/dbraw/zinc/79/85/22/620798522.db2.gz UHLXSYWQLQVDSV-UHFFFAOYSA-N -1 3 280.324 2.633 20 30 CFEDHM Cc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901375510 620798543 /nfs/dbraw/zinc/79/85/43/620798543.db2.gz JIQDJVWONHNGKA-UHFFFAOYSA-N -1 3 260.268 2.561 20 30 CFEDHM CCn1ncc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)n1 ZINC000901453205 620817355 /nfs/dbraw/zinc/81/73/55/620817355.db2.gz OQLINTMEFCMJCW-QMEHYBMDSA-N -1 3 287.294 2.526 20 30 CFEDHM C[C@H]1CCCCN1N=Cc1c(F)ccc([O-])c1F ZINC000853381359 618824011 /nfs/dbraw/zinc/82/40/11/618824011.db2.gz BBJTXGGYCRLFIZ-VIFPVBQESA-N -1 3 254.280 2.879 20 30 CFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2)cc1 ZINC000105262720 619084260 /nfs/dbraw/zinc/08/42/60/619084260.db2.gz CETYRXZHQXGRPT-CQSZACIVSA-N -1 3 282.299 2.803 20 30 CFEDHM N#CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000928806897 620019139 /nfs/dbraw/zinc/01/91/39/620019139.db2.gz 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CC(=NN1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000916594202 624263305 /nfs/dbraw/zinc/26/33/05/624263305.db2.gz ZHIWVZPZEDIKRS-UHFFFAOYSA-N -1 3 283.375 2.517 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@@H]2c2ccccc2)c1[O-] ZINC000920388011 624718387 /nfs/dbraw/zinc/71/83/87/624718387.db2.gz XETUANPUJZVLEX-STTODAGISA-N -1 3 282.343 2.563 20 30 CFEDHM Cc1ccc(-c2ccc(C=NN3CC(=O)[N-]C3=O)s2)cc1 ZINC000920482752 624729104 /nfs/dbraw/zinc/72/91/04/624729104.db2.gz RBQNOFLNGMROPF-UHFFFAOYSA-N -1 3 299.355 2.609 20 30 CFEDHM Cc1ccc(C(=O)NCc2ccc(OCC#N)cc2)c([O-])c1 ZINC000069487246 625133699 /nfs/dbraw/zinc/13/36/99/625133699.db2.gz QYRZTLHEBDMXIC-UHFFFAOYSA-N -1 3 296.326 2.533 20 30 CFEDHM COc1c([O-])ccc(C=NNC2CCCCC2)c1[N+](=O)[O-] ZINC000834973668 625940893 /nfs/dbraw/zinc/94/08/93/625940893.db2.gz YTMCALFMXOOHMW-UHFFFAOYSA-N -1 3 293.323 2.565 20 30 CFEDHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000921598692 625993345 /nfs/dbraw/zinc/99/33/45/625993345.db2.gz OHAHLZQDGMDBQU-UHFFFAOYSA-N -1 3 269.366 2.613 20 30 CFEDHM N#Cc1cccc(COC(=O)c2ccc([O-])cc2)c1F ZINC000774888452 626482905 /nfs/dbraw/zinc/48/29/05/626482905.db2.gz YELQWGRBAJYOKP-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCCC2(C)C)c1[O-] ZINC000757525932 626554394 /nfs/dbraw/zinc/55/43/94/626554394.db2.gz JFVMDLMDZFHESX-RMNBPEERSA-N -1 3 276.380 2.976 20 30 CFEDHM CC[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000758374975 626590542 /nfs/dbraw/zinc/59/05/42/626590542.db2.gz MAYSQKCHPQJDOE-CYBMUJFWSA-N -1 3 280.393 2.672 20 30 CFEDHM CCO[C@@H]1COCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000758816496 626610211 /nfs/dbraw/zinc/61/02/11/626610211.db2.gz SDXQQQUFHBKKFV-JSEPGKFPSA-N -1 3 283.755 2.659 20 30 CFEDHM C=CCCCCCCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000805218354 626797098 /nfs/dbraw/zinc/79/70/98/626797098.db2.gz XEJRIXCSYDFHMM-UHFFFAOYSA-N -1 3 291.395 2.594 20 30 CFEDHM Cc1cc(=O)[n-]c(CSc2ccc(C#N)cc2)n1 ZINC000761863386 626866059 /nfs/dbraw/zinc/86/60/59/626866059.db2.gz HDYDFLQDRUNJMK-UHFFFAOYSA-N -1 3 257.318 2.655 20 30 CFEDHM COc1cc(C(=O)/C=C/c2nccs2)c(OC)cc1[O-] ZINC000763105420 626963942 /nfs/dbraw/zinc/96/39/42/626963942.db2.gz QNNDQCTYIHGCHW-ONEGZZNKSA-N -1 3 291.328 2.762 20 30 CFEDHM CC#CCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000764936546 627107745 /nfs/dbraw/zinc/10/77/45/627107745.db2.gz BNLJWZOTCJDMOZ-UHFFFAOYSA-N -1 3 267.328 2.844 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNCCOCC(F)(F)F ZINC000765592671 627148676 /nfs/dbraw/zinc/14/86/76/627148676.db2.gz FXMDAQIXKGTPKV-UHFFFAOYSA-N -1 3 296.676 2.548 20 30 CFEDHM CCON=C(C)c1cc(Br)ccc1[O-] ZINC000767461360 627253217 /nfs/dbraw/zinc/25/32/17/627253217.db2.gz IZUHVYUTFXEUJT-UHFFFAOYSA-N -1 3 258.115 2.915 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C)o1 ZINC000851875396 634568451 /nfs/dbraw/zinc/56/84/51/634568451.db2.gz PDVBJOXUBLJFBH-UHFFFAOYSA-N -1 3 257.355 2.611 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NNCC(F)(F)F ZINC000769820774 627478488 /nfs/dbraw/zinc/47/84/88/627478488.db2.gz DABAJBRHCXGSRR-UHFFFAOYSA-N -1 3 252.623 2.531 20 30 CFEDHM N#Cc1cccc(CO[N-]C(=O)CCOc2ccccc2)c1 ZINC000770693845 627542231 /nfs/dbraw/zinc/54/22/31/627542231.db2.gz YQCFRIWDXKESTA-UHFFFAOYSA-N -1 3 296.326 2.575 20 30 CFEDHM C#C[C@@H]([N-]c1nc2cc(C)ccc2o1)[C@H]1CCCO1 ZINC000772255928 627692279 /nfs/dbraw/zinc/69/22/79/627692279.db2.gz LNNVYJKJDPXTCC-DGCLKSJQSA-N -1 3 256.305 2.729 20 30 CFEDHM C#C[C@H]([N-]c1nc2cc(C)ccc2o1)[C@H]1CCCO1 ZINC000772256524 627692360 /nfs/dbraw/zinc/69/23/60/627692360.db2.gz LNNVYJKJDPXTCC-WCQYABFASA-N -1 3 256.305 2.729 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=C2CCSCC2)nc(C)n1 ZINC000772643465 627730178 /nfs/dbraw/zinc/73/01/78/627730178.db2.gz MZGDCMNQTFTVBC-ZDUSSCGKSA-N -1 3 287.388 2.723 20 30 CFEDHM C[C@@H]1CCC(=NN=c2cc[n-]n2C)c2ccccc21 ZINC000774414888 627922337 /nfs/dbraw/zinc/92/23/37/627922337.db2.gz YGJSSGBNAKLMEW-LLVKDONJSA-N -1 3 254.337 2.556 20 30 CFEDHM CCSc1ccccc1C(C)=NN=c1cc[n-]n1C ZINC000774414049 627922365 /nfs/dbraw/zinc/92/23/65/627922365.db2.gz RLQYNDOQZCLZRN-UHFFFAOYSA-N -1 3 274.393 2.790 20 30 CFEDHM N#CCSCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000805523103 627960030 /nfs/dbraw/zinc/96/00/30/627960030.db2.gz JWXGWTLACCVCPN-UHFFFAOYSA-N -1 3 285.752 2.849 20 30 CFEDHM CCCCCCCC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000777779611 628251800 /nfs/dbraw/zinc/25/18/00/628251800.db2.gz OMQLNTUNRYKSLS-UHFFFAOYSA-N -1 3 281.356 2.885 20 30 CFEDHM CCCCCCCC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000777779611 628251804 /nfs/dbraw/zinc/25/18/04/628251804.db2.gz OMQLNTUNRYKSLS-UHFFFAOYSA-N -1 3 281.356 2.885 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C#N)CC(C)C ZINC000784532063 628825173 /nfs/dbraw/zinc/82/51/73/628825173.db2.gz WXINEODNTODGQT-LLVKDONJSA-N -1 3 281.306 2.536 20 30 CFEDHM CCOc1cc(C=NNc2nccn2C)cc(Cl)c1[O-] ZINC000790299650 629227465 /nfs/dbraw/zinc/22/74/65/629227465.db2.gz HKLMJZWCJGWJKY-UHFFFAOYSA-N -1 3 294.742 2.624 20 30 CFEDHM CCCCCCCCNC(=O)NCc1ncccc1[O-] ZINC000792150494 629402915 /nfs/dbraw/zinc/40/29/15/629402915.db2.gz YEKJEMVUACFARV-UHFFFAOYSA-N -1 3 279.384 2.947 20 30 CFEDHM C=CCCCCCCNC(=O)NCc1ncccc1[O-] ZINC000806003480 629468697 /nfs/dbraw/zinc/46/86/97/629468697.db2.gz AUCDGOQCEPXVIC-UHFFFAOYSA-N -1 3 277.368 2.723 20 30 CFEDHM CC1(C)C[C@H](NN=Cc2c(F)ccc([O-])c2F)CCO1 ZINC000794536505 629656646 /nfs/dbraw/zinc/65/66/46/629656646.db2.gz PEMQAGWXKWHZAK-SECBINFHSA-N -1 3 284.306 2.552 20 30 CFEDHM C=CCNN=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000795002854 629721009 /nfs/dbraw/zinc/72/10/09/629721009.db2.gz BRHHHPUNHHCVQJ-UHFFFAOYSA-N -1 3 299.168 2.663 20 30 CFEDHM COCCCON=C(C)c1cc(Cl)ccc1[O-] ZINC000795056113 629731040 /nfs/dbraw/zinc/73/10/40/629731040.db2.gz SJTBJONBZJSLDU-UHFFFAOYSA-N -1 3 257.717 2.823 20 30 CFEDHM C#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000799048075 630270579 /nfs/dbraw/zinc/27/05/79/630270579.db2.gz VUIPMEVKLVKOIL-OAHLLOKOSA-N -1 3 267.328 2.933 20 30 CFEDHM C#CCCCCCC(=O)[N-]OCc1ccccc1OC ZINC000799094289 630274581 /nfs/dbraw/zinc/27/45/81/630274581.db2.gz XQBCMQOCQAPYFY-UHFFFAOYSA-N -1 3 275.348 2.827 20 30 CFEDHM C=CCO[N-]C(=O)CCc1ccccc1Br ZINC000837043726 630943623 /nfs/dbraw/zinc/94/36/23/630943623.db2.gz FXOXOZXFXSOAGM-UHFFFAOYSA-N -1 3 284.153 2.616 20 30 CFEDHM C#CCCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000808189769 630967734 /nfs/dbraw/zinc/96/77/34/630967734.db2.gz ZWXGTVCEVSKKAO-UHFFFAOYSA-N -1 3 259.305 2.727 20 30 CFEDHM COCC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000809012659 631067735 /nfs/dbraw/zinc/06/77/35/631067735.db2.gz CLUJBHCSLJUESK-CQSZACIVSA-N -1 3 296.317 2.522 20 30 CFEDHM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000809136181 631087359 /nfs/dbraw/zinc/08/73/59/631087359.db2.gz CLWOIQSRPYDBBS-ZDUSSCGKSA-N -1 3 298.358 2.626 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2CCCCCC2)c1[O-] ZINC000840710211 631175694 /nfs/dbraw/zinc/17/56/94/631175694.db2.gz QJHBKIYTCFZDQI-YVLHZVERSA-N -1 3 276.380 2.977 20 30 CFEDHM C=CCCCCO[N-]C(=O)Cc1ccc(OC)c(OC)c1 ZINC000842029778 631506297 /nfs/dbraw/zinc/50/62/97/631506297.db2.gz KWWLJCLTBGOORC-UHFFFAOYSA-N -1 3 293.363 2.650 20 30 CFEDHM CC(C)(C)CC(=O)[N-]OCCCC1(C#N)CCOCC1 ZINC000842061061 631519367 /nfs/dbraw/zinc/51/93/67/631519367.db2.gz IKSOUYVAVXNSCJ-UHFFFAOYSA-N -1 3 282.384 2.571 20 30 CFEDHM Cc1nc(COC(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000811184490 631531939 /nfs/dbraw/zinc/53/19/39/631531939.db2.gz OUADCVYVEBEOEE-UHFFFAOYSA-N -1 3 288.328 2.694 20 30 CFEDHM CC1(C)CCC[C@H]1OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187893 631532563 /nfs/dbraw/zinc/53/25/63/631532563.db2.gz ORBIDJVPGZAEBZ-CYBMUJFWSA-N -1 3 259.305 2.999 20 30 CFEDHM CC(=NNC[C@H]1CCSC1)c1ccc([O-])c(F)c1 ZINC000811659827 631598085 /nfs/dbraw/zinc/59/80/85/631598085.db2.gz ZLBUAMXSIQDYNL-SNVBAGLBSA-N -1 3 268.357 2.598 20 30 CFEDHM CCCON=Cc1ccc(OC)c([O-])c1Br ZINC000842553454 631663533 /nfs/dbraw/zinc/66/35/33/631663533.db2.gz IJGHZWWKAMNFEN-UHFFFAOYSA-N -1 3 288.141 2.924 20 30 CFEDHM CC1(C)C[C@@]1(C#N)[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000813303482 631897861 /nfs/dbraw/zinc/89/78/61/631897861.db2.gz NDTWIJNXBJYPGS-AWEZNQCLSA-N -1 3 278.302 2.673 20 30 CFEDHM C[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CO1 ZINC000843262618 631913177 /nfs/dbraw/zinc/91/31/77/631913177.db2.gz CSMOSLFOOQUJLS-NEKHMDMLSA-N -1 3 284.153 2.751 20 30 CFEDHM CC(=O)N1CCC(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000105356778 632062119 /nfs/dbraw/zinc/06/21/19/632062119.db2.gz AMPNWLSAIVJNQJ-LICLKQGHSA-N -1 3 294.782 2.723 20 30 CFEDHM COC(=O)c1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)c[n-]1 ZINC000814528699 632084715 /nfs/dbraw/zinc/08/47/15/632084715.db2.gz FODGNWZFCMZWPV-JTQLQIEISA-N -1 3 298.298 2.591 20 30 CFEDHM C=CCCO[N-]C(=O)CCC[C@@H](O)c1ccccc1 ZINC000856027399 635703223 /nfs/dbraw/zinc/70/32/23/635703223.db2.gz KTCKQVWHBHIFSN-CQSZACIVSA-N -1 3 263.337 2.514 20 30 CFEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000844004815 632093883 /nfs/dbraw/zinc/09/38/83/632093883.db2.gz GJNLVXFPJSTNOB-CQSZACIVSA-N -1 3 271.360 2.830 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000856027609 635703562 /nfs/dbraw/zinc/70/35/62/635703562.db2.gz SUOGWYJGSLEHJB-LLVKDONJSA-N -1 3 279.361 2.554 20 30 CFEDHM Cc1cc(NN=Cc2cccc([O-])c2Cl)nc(C)n1 ZINC000814807483 632128704 /nfs/dbraw/zinc/12/87/04/632128704.db2.gz YFWSWSIMPKSVJT-UHFFFAOYSA-N -1 3 276.727 2.898 20 30 CFEDHM CS[C@@H]1CCCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000844270495 632149697 /nfs/dbraw/zinc/14/96/97/632149697.db2.gz HZYBPIJIBZDFPJ-VDUVZLQYSA-N -1 3 294.420 2.681 20 30 CFEDHM [O-]c1c(C=NOC[C@H]2CCOC2)ccc2ccccc21 ZINC000814912042 632161686 /nfs/dbraw/zinc/16/16/86/632161686.db2.gz IEWFXZYICUICAV-LBPRGKRZSA-N -1 3 271.316 2.932 20 30 CFEDHM N#CCCOCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000815247881 632239724 /nfs/dbraw/zinc/23/97/24/632239724.db2.gz JVSYNZMOPUHWMC-UHFFFAOYSA-N -1 3 298.751 2.970 20 30 CFEDHM C=CCCC(C)(C)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000816026455 632357989 /nfs/dbraw/zinc/35/79/89/632357989.db2.gz SNWITTFIJWMYRO-UHFFFAOYSA-N -1 3 265.309 2.703 20 30 CFEDHM C=CCCCOC(=O)c1ccc(N)c(Cl)c1[O-] ZINC000845194877 632382714 /nfs/dbraw/zinc/38/27/14/632382714.db2.gz SWOURHOFFYBSIG-UHFFFAOYSA-N -1 3 255.701 2.751 20 30 CFEDHM COCCN(CCC#N)Cc1ccc2ccccc2c1[O-] ZINC000816503932 632473679 /nfs/dbraw/zinc/47/36/79/632473679.db2.gz RTDRLNPIKDXGFT-UHFFFAOYSA-N -1 3 284.359 2.907 20 30 CFEDHM C#CCC(C)(C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000816620843 632497536 /nfs/dbraw/zinc/49/75/36/632497536.db2.gz NXAMNFHDVNDAGJ-UHFFFAOYSA-N -1 3 259.305 2.583 20 30 CFEDHM N#CC(C(=O)[C@@H]1CCCCO1)=C([O-])C1(c2ccccc2)CC1 ZINC000845840398 632578487 /nfs/dbraw/zinc/57/84/87/632578487.db2.gz BCTXTNAVWHMEDN-CABCVRRESA-N -1 3 297.354 2.565 20 30 CFEDHM C=C(C)CO[N-]C(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000846534210 632724659 /nfs/dbraw/zinc/72/46/59/632724659.db2.gz WLMUEZZVCWZGNG-UHFFFAOYSA-N -1 3 287.363 2.756 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1ccc(F)cc1F ZINC000846535788 632724929 /nfs/dbraw/zinc/72/49/29/632724929.db2.gz BTVJXOCFZQZQAM-UHFFFAOYSA-N -1 3 255.264 2.521 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCc1ccc2[nH]ccc2c1 ZINC000846535703 632725680 /nfs/dbraw/zinc/72/56/80/632725680.db2.gz KVZOFNHWDIQMDV-UHFFFAOYSA-N -1 3 258.321 2.724 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000846538611 632727922 /nfs/dbraw/zinc/72/79/22/632727922.db2.gz KIEZELMLWJONKQ-OAHLLOKOSA-N -1 3 276.380 2.693 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccccc1Cl ZINC000846541896 632730838 /nfs/dbraw/zinc/73/08/38/632730838.db2.gz PBINWTRFSJWDES-SNVBAGLBSA-N -1 3 253.729 2.895 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc2ccccc2n1 ZINC000846544922 632732926 /nfs/dbraw/zinc/73/29/26/632732926.db2.gz ZMZWRBAQHMMKNH-GFCCVEGCSA-N -1 3 270.332 2.790 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1OC ZINC000846545746 632733792 /nfs/dbraw/zinc/73/37/92/632733792.db2.gz QGYBYTSBZFREEP-NEPJUHHUSA-N -1 3 263.337 2.811 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(OC(F)F)cc1 ZINC000846545866 632733856 /nfs/dbraw/zinc/73/38/56/632733856.db2.gz ZWEBTAJBEMLKGC-JTQLQIEISA-N -1 3 285.290 2.843 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(C)cc1Cl ZINC000846546950 632735036 /nfs/dbraw/zinc/73/50/36/632735036.db2.gz HEHOCNKMFZQUIX-SNVBAGLBSA-N -1 3 253.729 2.813 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(=O)c1ccc(OC)cc1 ZINC000846548481 632736780 /nfs/dbraw/zinc/73/67/80/632736780.db2.gz FFHVCAINWFDSSN-GFCCVEGCSA-N -1 3 291.347 2.671 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000846548415 632736855 /nfs/dbraw/zinc/73/68/55/632736855.db2.gz DUVCPLJKAKNUPG-VIFPVBQESA-N -1 3 289.253 2.750 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(OCCC)c1 ZINC000846549748 632737358 /nfs/dbraw/zinc/73/73/58/632737358.db2.gz SJNYGZHFDGUFBD-LBPRGKRZSA-N -1 3 263.337 2.640 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(C)c1Cl ZINC000846554743 632742013 /nfs/dbraw/zinc/74/20/13/632742013.db2.gz LWIAQDFRLQAVQK-JTQLQIEISA-N -1 3 253.729 2.813 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000846555877 632742246 /nfs/dbraw/zinc/74/22/46/632742246.db2.gz VBISOLMFNLFZOU-MRVPVSSYSA-N -1 3 257.692 2.644 20 30 CFEDHM C=CCn1cc(CN[C@H](C)c2ccc(Cl)cc2[O-])nn1 ZINC000818347948 632835889 /nfs/dbraw/zinc/83/58/89/632835889.db2.gz XETCZWWUWWDTJW-SNVBAGLBSA-N -1 3 292.770 2.674 20 30 CFEDHM O=C([O-])c1cccc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848399609 633248925 /nfs/dbraw/zinc/24/89/25/633248925.db2.gz UXPILECOHNCDCZ-OAHLLOKOSA-N -1 3 287.363 2.801 20 30 CFEDHM Cc1cc([O-])c(C=NNCCCn2ccnc2)cc1Cl ZINC000853372621 634985730 /nfs/dbraw/zinc/98/57/30/634985730.db2.gz SEPFNCULKCZHKJ-UHFFFAOYSA-N -1 3 292.770 2.564 20 30 CFEDHM N#CCC1(CO[N-]C(=O)CCCc2ccccc2)CC1 ZINC000853663894 635066583 /nfs/dbraw/zinc/06/65/83/635066583.db2.gz LSVCYKZWTKBDAA-UHFFFAOYSA-N -1 3 272.348 2.751 20 30 CFEDHM Cn1cc(C(=O)OC(C)(C)C)nc1-c1ccc([O-])cc1C#N ZINC000854201232 635251178 /nfs/dbraw/zinc/25/11/78/635251178.db2.gz HCBVIKHFUCXSCR-UHFFFAOYSA-N -1 3 299.330 2.620 20 30 CFEDHM C=C(C)CO[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000855027051 635445249 /nfs/dbraw/zinc/44/52/49/635445249.db2.gz XELQZIRAMOBFAZ-MRVPVSSYSA-N -1 3 252.141 2.584 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000855439024 635552298 /nfs/dbraw/zinc/55/22/98/635552298.db2.gz UAUBMDYSNPQJAM-GFCCVEGCSA-N -1 3 297.358 2.764 20 30 CFEDHM C#CCO[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000855605858 635596163 /nfs/dbraw/zinc/59/61/63/635596163.db2.gz AIAPMBDXLHUOPK-UHFFFAOYSA-N -1 3 255.317 2.695 20 30 CFEDHM C=CCC1(NC(=O)c2nnc3ccccc3c2[O-])CCCC1 ZINC000855927117 635691094 /nfs/dbraw/zinc/69/10/94/635691094.db2.gz CPKTWJWBBHRMNN-UHFFFAOYSA-N -1 3 297.358 2.954 20 30 CFEDHM C=CCCO[N-]C(=O)CCC(=O)c1c(F)cccc1F ZINC000856028590 635704143 /nfs/dbraw/zinc/70/41/43/635704143.db2.gz XRGYXKOFPVMSKQ-UHFFFAOYSA-N -1 3 283.274 2.552 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000856029136 635704651 /nfs/dbraw/zinc/70/46/51/635704651.db2.gz ATYLQEWAVGWFHZ-DGCLKSJQSA-N -1 3 263.337 2.960 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000856030371 635705683 /nfs/dbraw/zinc/70/56/83/635705683.db2.gz DKEQEVMIIDUFHZ-UHFFFAOYSA-N -1 3 299.374 2.656 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccccc1OC(C)C ZINC000856031642 635707027 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ZINC000866312143 638795443 /nfs/dbraw/zinc/79/54/43/638795443.db2.gz LIEAANXIMFNFAR-GHMZBOCLSA-N -1 3 299.378 2.917 20 30 CFEDHM N#CC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000123655950 641337375 /nfs/dbraw/zinc/33/73/75/641337375.db2.gz GMHNLWVFNPOJNU-UHFFFAOYSA-N -1 3 295.180 2.890 20 30 CFEDHM CC(C)c1nsc([N-]C(=O)c2ccc(C#N)s2)n1 ZINC000874695924 642456838 /nfs/dbraw/zinc/45/68/38/642456838.db2.gz VBMKTIGBLHWDDD-UHFFFAOYSA-N -1 3 278.362 2.847 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC(C)c2c(C)cc(N)cc2C)n1 ZINC000884368813 646328111 /nfs/dbraw/zinc/32/81/11/646328111.db2.gz JOPGJCFRSGRXFT-UHFFFAOYSA-N -1 3 285.351 2.526 20 30 CFEDHM CC(=NNc1nc(C)cc(=O)[n-]1)c1c(C)cc(N)cc1C ZINC000884368813 646328121 /nfs/dbraw/zinc/32/81/21/646328121.db2.gz JOPGJCFRSGRXFT-UHFFFAOYSA-N -1 3 285.351 2.526 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885217750 646638827 /nfs/dbraw/zinc/63/88/27/646638827.db2.gz LRBQNAQGEXQNEY-UHFFFAOYSA-N -1 3 288.800 2.534 20 30 CFEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000254378427 651087357 /nfs/dbraw/zinc/08/73/57/651087357.db2.gz FJJKDEMXNCWGJH-UHFFFAOYSA-N -1 3 256.305 2.647 20 30 CFEDHM CNc1cc(C([O-])=C(C#N)c2ccccn2)cc(Cl)n1 ZINC000118912314 651294970 /nfs/dbraw/zinc/29/49/70/651294970.db2.gz BTIWORVOKYTKJR-SNVBAGLBSA-N -1 3 286.722 2.662 20 30 CFEDHM Cc1ccc(-c2cc(C#N)nc(C3CC3)n2)c([O-])c1 ZINC001241038578 782195275 /nfs/dbraw/zinc/19/52/75/782195275.db2.gz UAXWECKGRIAJCQ-UHFFFAOYSA-N -1 3 251.289 2.907 20 30 CFEDHM COc1ccc(CO)cc1Nc1cc(C#N)ccc1[O-] ZINC001211527387 770767521 /nfs/dbraw/zinc/76/75/21/770767521.db2.gz YVZGNQSVMZHMQD-UHFFFAOYSA-N -1 3 270.288 2.508 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C(C)C)C(F)(F)F)[n-]1 ZINC001225467839 775467160 /nfs/dbraw/zinc/46/71/60/775467160.db2.gz YPZZOOQWAFULMF-SNVBAGLBSA-N -1 3 274.242 2.933 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccccc2C#N)[n-]1 ZINC001225469105 775468398 /nfs/dbraw/zinc/46/83/98/775468398.db2.gz GWSQGOSITODIIP-NSHDSACASA-N -1 3 279.299 2.979 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)COc2ccccc2)[n-]1 ZINC001225470080 775468967 /nfs/dbraw/zinc/46/89/67/775468967.db2.gz QHSXMRLBYUFUAD-LBPRGKRZSA-N -1 3 284.315 2.814 20 30 CFEDHM COC(=O)[C@@H]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114208 775703312 /nfs/dbraw/zinc/70/33/12/775703312.db2.gz HSEMFXPLNGWDFX-XYZGBQHVSA-N -1 3 277.320 2.605 20 30 CFEDHM CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226240742 775748747 /nfs/dbraw/zinc/74/87/47/775748747.db2.gz OSDMDEXASISLBA-AWEZNQCLSA-N -1 3 296.326 2.594 20 30 CFEDHM CC[C@H](C)CC[C@@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226257001 775757787 /nfs/dbraw/zinc/75/77/87/775757787.db2.gz XPYIEGDLSYWHRM-ALNRQSLMSA-N -1 3 251.330 2.878 20 30 CFEDHM Cc1ccccc1[C@@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226256545 775758135 /nfs/dbraw/zinc/75/81/35/775758135.db2.gz SRTVRYMRJSNDBA-LKBVRNOZSA-N -1 3 257.293 2.733 20 30 CFEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(C)n2)O1 ZINC001226510562 775853476 /nfs/dbraw/zinc/85/34/76/775853476.db2.gz LTCZOTWCVNEKSA-NHYWBVRUSA-N -1 3 278.352 2.772 20 30 CFEDHM Cc1cc(O[C@H](C#N)c2ccccc2F)[n-]c(=S)n1 ZINC001226801784 775969810 /nfs/dbraw/zinc/96/98/10/775969810.db2.gz BMNGGLAJSVWXDQ-LLVKDONJSA-N -1 3 275.308 2.857 20 30 CFEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCN(C)C1 ZINC001227120757 776106057 /nfs/dbraw/zinc/10/60/57/776106057.db2.gz SQDHORJFPRIMJJ-CYBMUJFWSA-N -1 3 289.375 2.796 20 30 CFEDHM CCOC(=O)[C@H](CC(C)C)Oc1cc(C#N)ccc1[O-] ZINC001227345539 776180597 /nfs/dbraw/zinc/18/05/97/776180597.db2.gz NSXATOYKLVLFGB-AWEZNQCLSA-N -1 3 277.320 2.620 20 30 CFEDHM CCOC(=O)[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227346512 776181505 /nfs/dbraw/zinc/18/15/05/776181505.db2.gz UWIOJIPCTDNVTR-MRXNPFEDSA-N -1 3 297.310 2.947 20 30 CFEDHM CCOC(=O)[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227346511 776181891 /nfs/dbraw/zinc/18/18/91/776181891.db2.gz UWIOJIPCTDNVTR-INIZCTEOSA-N -1 3 297.310 2.947 20 30 CFEDHM C#C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227690581 776259297 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O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2C=CC(=O)C2)c1 ZINC001228153152 776411283 /nfs/dbraw/zinc/41/12/83/776411283.db2.gz BNNCDBGWOPQSNJ-HNNXBMFYSA-N -1 3 294.306 2.900 20 30 CFEDHM C#CC[C@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621491 776542602 /nfs/dbraw/zinc/54/26/02/776542602.db2.gz APOSRIDSPZBJIY-NSHDSACASA-N -1 3 272.300 2.988 20 30 CFEDHM C#C[C@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001228621489 776542833 /nfs/dbraw/zinc/54/28/33/776542833.db2.gz AONSFXRFFIYSNZ-ZDUSSCGKSA-N -1 3 272.300 2.844 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853965 776635038 /nfs/dbraw/zinc/63/50/38/776635038.db2.gz MYOMCHDGXCDVAO-ZUZCIYMTSA-N -1 3 256.301 2.702 20 30 CFEDHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)[C@H](C)S ZINC001228854844 776635259 /nfs/dbraw/zinc/63/52/59/776635259.db2.gz XSYLDSRPPRJTPT-SFYZADRCSA-N -1 3 252.335 2.607 20 30 CFEDHM C#C[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229101083 776718599 /nfs/dbraw/zinc/71/85/99/776718599.db2.gz XOYPZNRUIXWVNS-MRVPVSSYSA-N -1 3 271.110 2.651 20 30 CFEDHM C=CC[C@@H](CCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229338122 776783363 /nfs/dbraw/zinc/78/33/63/776783363.db2.gz ULZPVZJEYHKIAB-LBPRGKRZSA-N -1 3 288.351 2.999 20 30 CFEDHM C=CC[C@@H](CCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229338122 776783368 /nfs/dbraw/zinc/78/33/68/776783368.db2.gz ULZPVZJEYHKIAB-LBPRGKRZSA-N -1 3 288.351 2.999 20 30 CFEDHM C=C[C@@H](CCCC)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230793206 777066643 /nfs/dbraw/zinc/06/66/43/777066643.db2.gz XTSQKOPLRCJPME-VIFPVBQESA-N -1 3 266.366 2.954 20 30 CFEDHM C=CCS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000710915534 777138976 /nfs/dbraw/zinc/13/89/76/777138976.db2.gz BZTIGBLYORLOTR-UHFFFAOYSA-N -1 3 269.366 2.617 20 30 CFEDHM C=CC[C@@H](CCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117656 777146321 /nfs/dbraw/zinc/14/63/21/777146321.db2.gz DTGBYPLZQMETAJ-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@@H](CCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117656 777146326 /nfs/dbraw/zinc/14/63/26/777146326.db2.gz DTGBYPLZQMETAJ-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@@H](Oc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001231121030 777148191 /nfs/dbraw/zinc/14/81/91/777148191.db2.gz DRDDLSKHNOZPGA-CYBMUJFWSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CC[C@@H](Oc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001231121030 777148196 /nfs/dbraw/zinc/14/81/96/777148196.db2.gz DRDDLSKHNOZPGA-CYBMUJFWSA-N -1 3 258.325 2.846 20 30 CFEDHM C=CCS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000710976879 777151428 /nfs/dbraw/zinc/15/14/28/777151428.db2.gz LPARIYLVWPRORY-UHFFFAOYSA-N -1 3 265.256 2.633 20 30 CFEDHM CC[C@@H](C)CC[C@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226257005 777490339 /nfs/dbraw/zinc/49/03/39/777490339.db2.gz XPYIEGDLSYWHRM-JDTFSJQSSA-N -1 3 251.330 2.878 20 30 CFEDHM COc1cc([O-])c(CN2CCCC[C@H]2C#N)cc1Cl ZINC001232270033 777501292 /nfs/dbraw/zinc/50/12/92/777501292.db2.gz QPFPHXCSANESBR-NSHDSACASA-N -1 3 280.755 2.932 20 30 CFEDHM COc1cccc2c1CCN(Cc1cc(C#N)ccc1[O-])C2 ZINC001232677313 777639016 /nfs/dbraw/zinc/63/90/16/777639016.db2.gz AVMZWFROKRYQNQ-UHFFFAOYSA-N -1 3 294.354 2.831 20 30 CFEDHM C#CC1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232976581 777748551 /nfs/dbraw/zinc/74/85/51/777748551.db2.gz YTNAVTJXJRJBHU-UHFFFAOYSA-N -1 3 251.276 2.516 20 30 CFEDHM N#Cc1ccc(CN2CCO[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001233386198 777927901 /nfs/dbraw/zinc/92/79/01/777927901.db2.gz JTCZYERZYFGFPK-GOSISDBHSA-N -1 3 294.354 2.837 20 30 CFEDHM CC[N@H+](Cc1ccccc1[O-])Cc1ccc(C#N)cc1[O-] ZINC001233386621 777928760 /nfs/dbraw/zinc/92/87/60/777928760.db2.gz BAKTVFYPYJWJJJ-UHFFFAOYSA-N -1 3 282.343 2.992 20 30 CFEDHM CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(C#N)cc1[O-] ZINC001233386621 777928764 /nfs/dbraw/zinc/92/87/64/777928764.db2.gz BAKTVFYPYJWJJJ-UHFFFAOYSA-N -1 3 282.343 2.992 20 30 CFEDHM C=C(C)C(=O)OCCNc1ccc2c(c1)[N-]C(=S)C2 ZINC001168077281 777951428 /nfs/dbraw/zinc/95/14/28/777951428.db2.gz WWQDPCMWWPAGPO-UHFFFAOYSA-N -1 3 276.361 2.513 20 30 CFEDHM N#CC=C([O-])c1ccccc1O[C@H]1COc2cnccc21 ZINC001233527672 777980108 /nfs/dbraw/zinc/98/01/08/777980108.db2.gz BJFHEQXIOFJNFR-INIZCTEOSA-N -1 3 280.283 2.690 20 30 CFEDHM CCOC(=O)C[C@@H](CC#N)Oc1cc(Cl)c([O-])cc1C ZINC001233593389 778002713 /nfs/dbraw/zinc/00/27/13/778002713.db2.gz WVWDUBFZUDSXTF-SNVBAGLBSA-N -1 3 297.738 2.968 20 30 CFEDHM CCC1=C(Oc2cccc([O-])c2F)C(=O)[C@@H](C)O1 ZINC001233871071 778101271 /nfs/dbraw/zinc/10/12/71/778101271.db2.gz LFXVKMNURZCRGQ-SSDOTTSWSA-N -1 3 252.241 2.520 20 30 CFEDHM C[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1C#N ZINC001234148738 778175888 /nfs/dbraw/zinc/17/58/88/778175888.db2.gz BNMZJTCETABLKY-SNVBAGLBSA-N -1 3 282.299 2.503 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2)c1 ZINC000127617944 778225033 /nfs/dbraw/zinc/22/50/33/778225033.db2.gz GLZYYIYBKGLEOW-CYBMUJFWSA-N -1 3 268.272 2.549 20 30 CFEDHM COc1nccc([N-]c2onc(C)c2C#N)c1Cl ZINC001211940779 778287997 /nfs/dbraw/zinc/28/79/97/778287997.db2.gz NLASHAIZTAAPDK-UHFFFAOYSA-N -1 3 264.672 2.655 20 30 CFEDHM C=C[C@H](CCC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234907152 778327897 /nfs/dbraw/zinc/32/78/97/778327897.db2.gz VNSVEKBBYZVACQ-SECBINFHSA-N -1 3 266.366 2.954 20 30 CFEDHM C=C(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001142511378 778396658 /nfs/dbraw/zinc/39/66/58/778396658.db2.gz GIIAJIUMOHIHNK-UHFFFAOYSA-N -1 3 256.099 2.669 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC001236531999 778866785 /nfs/dbraw/zinc/86/67/85/778866785.db2.gz UELOEZJOGHDFQA-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC001236531999 778866790 /nfs/dbraw/zinc/86/67/90/778866790.db2.gz UELOEZJOGHDFQA-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM COc1ccc(C#N)cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001236546012 778873231 /nfs/dbraw/zinc/87/32/31/778873231.db2.gz WDKUVSAYTSJECK-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM COc1ccc(C#N)cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001236546012 778873235 /nfs/dbraw/zinc/87/32/35/778873235.db2.gz WDKUVSAYTSJECK-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM N#CCC1CN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236692930 778912806 /nfs/dbraw/zinc/91/28/06/778912806.db2.gz VFUAJPMVXVZLQZ-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM N#Cc1ccccc1OC1CN(Cc2ccc(F)c([O-])c2)C1 ZINC001236714666 778918012 /nfs/dbraw/zinc/91/80/12/778918012.db2.gz VVKIDDOGKPQYNF-UHFFFAOYSA-N -1 3 298.317 2.666 20 30 CFEDHM COc1cc([O-])c(CN2CCC(C#N)CC2)c(Cl)c1 ZINC001236797674 778941033 /nfs/dbraw/zinc/94/10/33/778941033.db2.gz IDXQRRQHSZFKKQ-UHFFFAOYSA-N -1 3 280.755 2.790 20 30 CFEDHM C=CCC[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001120813503 778984311 /nfs/dbraw/zinc/98/43/11/778984311.db2.gz FVDNTMQVQFXOBX-NSHDSACASA-N -1 3 289.331 2.692 20 30 CFEDHM N#CCC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238235015 779287931 /nfs/dbraw/zinc/28/79/31/779287931.db2.gz GJVHWQAWVJZZHR-UHFFFAOYSA-N -1 3 276.311 2.650 20 30 CFEDHM COC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001239735207 779738449 /nfs/dbraw/zinc/73/84/49/779738449.db2.gz ZCVCMUTUSBFNOX-UHFFFAOYSA-N -1 3 255.273 2.948 20 30 CFEDHM N#Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1F ZINC001240156560 779976519 /nfs/dbraw/zinc/97/65/19/779976519.db2.gz FBJJFQHRJSOITM-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1F ZINC001240156560 779976520 /nfs/dbraw/zinc/97/65/20/779976520.db2.gz FBJJFQHRJSOITM-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C#N)c(F)c1 ZINC001240156937 779977208 /nfs/dbraw/zinc/97/72/08/779977208.db2.gz KTZRUWWQHREMBG-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C#N)c(F)c1 ZINC001240156937 779977214 /nfs/dbraw/zinc/97/72/14/779977214.db2.gz KTZRUWWQHREMBG-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COC(=O)c1ccc(C#N)cc1-c1cc(F)ccc1[O-] ZINC001240698098 780369306 /nfs/dbraw/zinc/36/93/06/780369306.db2.gz UFGBMBGIRMJTSS-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM CCO[C@@H](C)n1cc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001240757688 780420583 /nfs/dbraw/zinc/42/05/83/780420583.db2.gz KKGORKREPKBOEO-AXLKIAQESA-N -1 3 259.309 2.913 20 30 CFEDHM CC(C)c1ccc(C#N)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241440835 780888153 /nfs/dbraw/zinc/88/81/53/780888153.db2.gz ARJORHIZUXRMAM-UHFFFAOYSA-N -1 3 290.330 2.924 20 30 CFEDHM CC(C)c1ccc(C#N)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241440835 780888163 /nfs/dbraw/zinc/88/81/63/780888163.db2.gz ARJORHIZUXRMAM-UHFFFAOYSA-N -1 3 290.330 2.924 20 30 CFEDHM Cc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001241444301 780894859 /nfs/dbraw/zinc/89/48/59/780894859.db2.gz RHXKQMMFLNTWEJ-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001241444301 780894867 /nfs/dbraw/zinc/89/48/67/780894867.db2.gz RHXKQMMFLNTWEJ-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM COC(=O)c1nc2nc(C3=CC(=O)CC(C)(C)C3)ccc2[n-]1 ZINC001242316685 781395372 /nfs/dbraw/zinc/39/53/72/781395372.db2.gz VLKKDENYCDXLOA-UHFFFAOYSA-N -1 3 299.330 2.517 20 30 CFEDHM COC(=O)c1nc2ccc(C3=CC(=O)CC(C)(C)C3)nc2[n-]1 ZINC001242316685 781395380 /nfs/dbraw/zinc/39/53/80/781395380.db2.gz VLKKDENYCDXLOA-UHFFFAOYSA-N -1 3 299.330 2.517 20 30 CFEDHM COC(=O)c1nc2ccc(C3=CC(=O)CC(C)(C)C3)[n-]c-2n1 ZINC001242316685 781395390 /nfs/dbraw/zinc/39/53/90/781395390.db2.gz VLKKDENYCDXLOA-UHFFFAOYSA-N -1 3 299.330 2.517 20 30 CFEDHM N#Cc1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1[O-] ZINC001242563771 781602587 /nfs/dbraw/zinc/60/25/87/781602587.db2.gz LCVINNNEVIZLGJ-UHFFFAOYSA-N -1 3 264.284 2.816 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)cc1C#N ZINC001242583935 781616758 /nfs/dbraw/zinc/61/67/58/781616758.db2.gz MMQIBQKHLMCJJL-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)cc1C#N ZINC001242583935 781616762 /nfs/dbraw/zinc/61/67/62/781616762.db2.gz MMQIBQKHLMCJJL-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001242716982 781717061 /nfs/dbraw/zinc/71/70/61/781717061.db2.gz MLBISYJVYHDUOU-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(-c2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001242716982 781717068 /nfs/dbraw/zinc/71/70/68/781717068.db2.gz MLBISYJVYHDUOU-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(-c2ccc(F)c(-c3nnn[n-]3)c2)ccc1C#N ZINC001242768083 781751762 /nfs/dbraw/zinc/75/17/62/781751762.db2.gz QPQRISPWDSMWFP-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(-c2ccc(F)c(-c3nn[n-]n3)c2)ccc1C#N ZINC001242768083 781751766 /nfs/dbraw/zinc/75/17/66/781751766.db2.gz QPQRISPWDSMWFP-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000594856750 349490697 /nfs/dbraw/zinc/49/06/97/349490697.db2.gz AJZWECOBKJTXKC-GFCCVEGCSA-N -1 3 298.795 2.679 20 30 CFEDHM CC[C@H](NC(=O)c1csc(=O)[n-]1)c1c(C)noc1C ZINC000329989400 529582652 /nfs/dbraw/zinc/58/26/52/529582652.db2.gz VFAKJTPMCHUBRD-QMMMGPOBSA-N -1 3 281.337 2.909 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1ccccn1 ZINC000073970432 346987223 /nfs/dbraw/zinc/98/72/23/346987223.db2.gz BCQYUKOSIBMSFQ-SNVBAGLBSA-N -1 3 291.232 2.985 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2CCC[C@H]3C[C@H]32)sc1Cl ZINC000596473921 349911622 /nfs/dbraw/zinc/91/16/22/349911622.db2.gz KKZRKWNLAHATOQ-XHNCKOQMSA-N -1 3 267.785 2.938 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000088474876 260232622 /nfs/dbraw/zinc/23/26/22/260232622.db2.gz IWLRBFAZNLZZGX-LBPRGKRZSA-N -1 3 278.377 2.609 20 30 CFEDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157291831 232236621 /nfs/dbraw/zinc/23/66/21/232236621.db2.gz NDBZJFGFZVDUIA-JOYOIKCWSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000035426649 346321358 /nfs/dbraw/zinc/32/13/58/346321358.db2.gz MPQLZICOXRAJTI-CQSZACIVSA-N -1 3 294.358 2.803 20 30 CFEDHM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000046440682 346427436 /nfs/dbraw/zinc/42/74/36/346427436.db2.gz CFHURIFZEDCVOM-ZDUSSCGKSA-N -1 3 286.294 2.925 20 30 CFEDHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@@H]1CCCO1 ZINC000081731150 347433658 /nfs/dbraw/zinc/43/36/58/347433658.db2.gz JWHKNCCSAVFFFG-VIFPVBQESA-N -1 3 294.261 2.517 20 30 CFEDHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@@H]1CCCO1 ZINC000081731150 347433663 /nfs/dbraw/zinc/43/36/63/347433663.db2.gz JWHKNCCSAVFFFG-VIFPVBQESA-N -1 3 294.261 2.517 20 30 CFEDHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@@H]1CCCO1 ZINC000081731150 347433665 /nfs/dbraw/zinc/43/36/65/347433665.db2.gz JWHKNCCSAVFFFG-VIFPVBQESA-N -1 3 294.261 2.517 20 30 CFEDHM C[C@H]1OCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000092719434 347642499 /nfs/dbraw/zinc/64/24/99/347642499.db2.gz WESZODGLJPJBAR-BDAKNGLRSA-N -1 3 290.298 2.624 20 30 CFEDHM C[C@@H](C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094062333 347690984 /nfs/dbraw/zinc/69/09/84/347690984.db2.gz NJJOMGCXAZZZPH-ZDUSSCGKSA-N -1 3 294.354 2.819 20 30 CFEDHM CCc1cccc(C(=O)N(CC#N)C2CCCC2)c1[O-] ZINC000094162329 347693305 /nfs/dbraw/zinc/69/33/05/347693305.db2.gz UWBHOEOLSQWPBF-UHFFFAOYSA-N -1 3 272.348 2.863 20 30 CFEDHM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[O-] ZINC000671995287 539569742 /nfs/dbraw/zinc/56/97/42/539569742.db2.gz ITCVZYINUNVKAP-UHFFFAOYSA-N -1 3 262.334 2.854 20 30 CFEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126705029 347836567 /nfs/dbraw/zinc/83/65/67/347836567.db2.gz IXHXPMFLWCXWDK-SECBINFHSA-N -1 3 286.784 2.679 20 30 CFEDHM N#Cc1ccc(COc2ccc3c([O-])coc3c2)c(F)c1 ZINC000057524043 539606717 /nfs/dbraw/zinc/60/67/17/539606717.db2.gz XKJMNNPNKDFXHB-UHFFFAOYSA-N -1 3 283.258 2.851 20 30 CFEDHM CC(C)(C)c1cc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)no1 ZINC000290359899 348351864 /nfs/dbraw/zinc/35/18/64/348351864.db2.gz GLZIUABOPLYXIR-UHFFFAOYSA-N -1 3 299.334 2.697 20 30 CFEDHM CCCN(CC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279553812 348340570 /nfs/dbraw/zinc/34/05/70/348340570.db2.gz OGQSLLVOAABDHS-UHFFFAOYSA-N -1 3 268.316 2.921 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000324135489 348438683 /nfs/dbraw/zinc/43/86/83/348438683.db2.gz TZVXPTCYHCIEGI-LBPRGKRZSA-N -1 3 298.795 2.679 20 30 CFEDHM C=CCCC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588095323 348771765 /nfs/dbraw/zinc/77/17/65/348771765.db2.gz OHHXMCKVLMJUGT-UHFFFAOYSA-N -1 3 283.711 2.737 20 30 CFEDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(C#N)CCCCC1 ZINC000592951119 349178623 /nfs/dbraw/zinc/17/86/23/349178623.db2.gz ZITHCGAOMSJIMH-UHFFFAOYSA-N -1 3 274.368 2.676 20 30 CFEDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000592950324 349178990 /nfs/dbraw/zinc/17/89/90/349178990.db2.gz SIUAFWQOZXFYNV-MRXNPFEDSA-N -1 3 286.379 2.676 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCCC1 ZINC000593550450 349292207 /nfs/dbraw/zinc/29/22/07/349292207.db2.gz CAAYKCVZOBEIQM-JTQLQIEISA-N -1 3 298.433 2.867 20 30 CFEDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593556305 349292843 /nfs/dbraw/zinc/29/28/43/349292843.db2.gz GKGVHFNAMBJENZ-WDEREUQCSA-N -1 3 298.433 2.867 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000593572414 349293913 /nfs/dbraw/zinc/29/39/13/349293913.db2.gz NQFLHWUHKFVLPA-GFCCVEGCSA-N -1 3 296.417 2.621 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@@H]1C ZINC000593574953 349294768 /nfs/dbraw/zinc/29/47/68/349294768.db2.gz BSVBIBUKEFKMNR-OUAUKWLOSA-N -1 3 298.433 2.723 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573368 349294788 /nfs/dbraw/zinc/29/47/88/349294788.db2.gz QGMYQIQXNVOQAN-JTQLQIEISA-N -1 3 284.406 2.643 20 30 CFEDHM CCOc1cc(CN2CC(CC#N)C2)cc(Cl)c1[O-] ZINC000597203586 350054407 /nfs/dbraw/zinc/05/44/07/350054407.db2.gz LOEMJMXDJUYJAM-UHFFFAOYSA-N -1 3 280.755 2.790 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000597349957 350088126 /nfs/dbraw/zinc/08/81/26/350088126.db2.gz FKXICHXIIHNSIB-LBPRGKRZSA-N -1 3 278.377 2.782 20 30 CFEDHM C[C@H](C#N)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000598138713 350209080 /nfs/dbraw/zinc/20/90/80/350209080.db2.gz ULWBEBWLJRMMAG-LLVKDONJSA-N -1 3 290.338 2.757 20 30 CFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C)c(C#N)c2)n1 ZINC000599434729 350437696 /nfs/dbraw/zinc/43/76/96/350437696.db2.gz GTCWEMDGKRIIIU-UHFFFAOYSA-N -1 3 296.374 2.696 20 30 CFEDHM CCc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1[O-] ZINC000601811247 350781662 /nfs/dbraw/zinc/78/16/62/350781662.db2.gz BKNXBAJMLPWSNQ-KBPBESRZSA-N -1 3 272.348 2.719 20 30 CFEDHM N#Cc1cc(F)cc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000601924392 350803795 /nfs/dbraw/zinc/80/37/95/350803795.db2.gz SRRMSGSPKSVCGI-UHFFFAOYSA-N -1 3 284.294 2.682 20 30 CFEDHM C#CCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000291243512 197965743 /nfs/dbraw/zinc/96/57/43/197965743.db2.gz LJGFZBBXQNXLLM-VHSXEESVSA-N -1 3 284.142 2.778 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC000610366739 351559734 /nfs/dbraw/zinc/55/97/34/351559734.db2.gz UFRDTBKOLPXSKT-LLVKDONJSA-N -1 3 296.326 2.763 20 30 CFEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611013085 351634400 /nfs/dbraw/zinc/63/44/00/351634400.db2.gz WISGQQRBTHMREH-SECBINFHSA-N -1 3 286.784 2.679 20 30 CFEDHM CC(C)C([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)C ZINC000610898502 351619933 /nfs/dbraw/zinc/61/99/33/351619933.db2.gz CYDMTJDTRFSALG-UHFFFAOYSA-N -1 3 298.383 2.656 20 30 CFEDHM COc1cc(C(=O)Nc2cc(C#N)ccc2C)ccc1[O-] ZINC000615428319 352192249 /nfs/dbraw/zinc/19/22/49/352192249.db2.gz OELXDZGKSMONCG-UHFFFAOYSA-N -1 3 282.299 2.833 20 30 CFEDHM C=CCC1(NC(=O)Cc2cncc([O-])c2)CCCCC1 ZINC000615961210 352267701 /nfs/dbraw/zinc/26/77/01/352267701.db2.gz MBWNIXHKTVUNFP-UHFFFAOYSA-N -1 3 274.364 2.725 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000617042591 352477842 /nfs/dbraw/zinc/47/78/42/352477842.db2.gz TUEZVSQWEYMYQG-AAEUAGOBSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000617042591 352477843 /nfs/dbraw/zinc/47/78/43/352477843.db2.gz TUEZVSQWEYMYQG-AAEUAGOBSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000617042591 352477844 /nfs/dbraw/zinc/47/78/44/352477844.db2.gz TUEZVSQWEYMYQG-AAEUAGOBSA-N -1 3 284.363 2.823 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000617787309 352647182 /nfs/dbraw/zinc/64/71/82/352647182.db2.gz LQFSUNRDXVGSIQ-ZDUSSCGKSA-N -1 3 296.370 2.956 20 30 CFEDHM C=CCC1(NC(=O)c2cc(C)ccc2[O-])CCOCC1 ZINC000618246468 352737918 /nfs/dbraw/zinc/73/79/18/352737918.db2.gz LODQCWXRBKOREL-UHFFFAOYSA-N -1 3 275.348 2.556 20 30 CFEDHM C=CCC1(NC(=O)c2cccc(C)c2[O-])CCOCC1 ZINC000618246334 352737979 /nfs/dbraw/zinc/73/79/79/352737979.db2.gz GGUQLXUZBSJSRH-UHFFFAOYSA-N -1 3 275.348 2.556 20 30 CFEDHM C=CCN(C)Cc1cc([O-])ccc1Br ZINC000154770873 188160701 /nfs/dbraw/zinc/16/07/01/188160701.db2.gz ZIGIVTCVGNNXKR-UHFFFAOYSA-N -1 3 256.143 2.773 20 30 CFEDHM Cc1ccc(C#N)cc1NC([O-])=NOCCC(F)(F)F ZINC000156915656 188287717 /nfs/dbraw/zinc/28/77/17/188287717.db2.gz DXRVXTBNKDKNFI-UHFFFAOYSA-N -1 3 287.241 2.872 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000156915656 188287718 /nfs/dbraw/zinc/28/77/18/188287718.db2.gz DXRVXTBNKDKNFI-UHFFFAOYSA-N -1 3 287.241 2.872 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccccc1F ZINC000625326130 354022812 /nfs/dbraw/zinc/02/28/12/354022812.db2.gz LZWOQSNGMSUEAH-UHFFFAOYSA-N -1 3 271.357 2.706 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000625328594 354023829 /nfs/dbraw/zinc/02/38/29/354023829.db2.gz XXTIWJSQSPHKCO-UHFFFAOYSA-N -1 3 289.347 2.845 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc3[n-]c(OCC)nc3c2)C1 ZINC000628490980 354606704 /nfs/dbraw/zinc/60/67/04/354606704.db2.gz LRZLFUYESDHQAW-GFCCVEGCSA-N -1 3 299.374 3.000 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc3nc(OCC)[n-]c3c2)C1 ZINC000628490980 354606707 /nfs/dbraw/zinc/60/67/07/354606707.db2.gz LRZLFUYESDHQAW-GFCCVEGCSA-N -1 3 299.374 3.000 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2conc2C)CCCCC1 ZINC000632417326 355700012 /nfs/dbraw/zinc/70/00/12/355700012.db2.gz RYEXDFKLGRNGKE-UHFFFAOYSA-N -1 3 284.381 2.540 20 30 CFEDHM CCn1cc(C([O-])=C(C#N)c2ccccn2)c(C2CC2)n1 ZINC000633900223 356028968 /nfs/dbraw/zinc/02/89/68/356028968.db2.gz MQFSURDMONBIQV-LBPRGKRZSA-N -1 3 280.331 2.665 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(C)cc(Cl)n1 ZINC000294838640 199206038 /nfs/dbraw/zinc/20/60/38/199206038.db2.gz YZKYEJDXPOIDCE-UHFFFAOYSA-N -1 3 274.698 2.871 20 30 CFEDHM C=CCCc1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000297376860 200168806 /nfs/dbraw/zinc/16/88/06/200168806.db2.gz QTRJZACWBSDAQB-UHFFFAOYSA-N -1 3 276.292 2.578 20 30 CFEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C#N)c(F)c1 ZINC000297519974 200217529 /nfs/dbraw/zinc/21/75/29/200217529.db2.gz WLEFVIASXZTVFK-VIFPVBQESA-N -1 3 265.288 2.797 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(Cl)c1 ZINC000180133207 189238708 /nfs/dbraw/zinc/23/87/08/189238708.db2.gz WZSMBJSLNJZEGL-NSHDSACASA-N -1 3 296.779 2.599 20 30 CFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1 ZINC000184778681 189395171 /nfs/dbraw/zinc/39/51/71/189395171.db2.gz USVXAXISJBCYMM-LLVKDONJSA-N -1 3 296.779 2.599 20 30 CFEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2ccccc2[O-])c1 ZINC000432660649 240027895 /nfs/dbraw/zinc/02/78/95/240027895.db2.gz UKSXHJLUVBESEZ-UHFFFAOYSA-N -1 3 281.315 2.582 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)(C)C ZINC000435432090 240315696 /nfs/dbraw/zinc/31/56/96/240315696.db2.gz LLWZMPMCFBSIFR-JTQLQIEISA-N -1 3 286.422 2.723 20 30 CFEDHM C=C(C)CNCc1ccc(OC)c([O-])c1Br ZINC000275825491 193139027 /nfs/dbraw/zinc/13/90/27/193139027.db2.gz FSLZEGVFAQHVOG-UHFFFAOYSA-N -1 3 286.169 2.829 20 30 CFEDHM N#Cc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000034956116 372520403 /nfs/dbraw/zinc/52/04/03/372520403.db2.gz NHVNNFVTVJDSLO-UHFFFAOYSA-N -1 3 263.256 2.981 20 30 CFEDHM C=CCN(C(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000528961389 383684485 /nfs/dbraw/zinc/68/44/85/383684485.db2.gz WRGIGDCCQGRGQS-UHFFFAOYSA-N -1 3 296.164 2.945 20 30 CFEDHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493583 372843131 /nfs/dbraw/zinc/84/31/31/372843131.db2.gz TXPCGNVXNFUDTM-CQSZACIVSA-N -1 3 279.299 2.530 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000043327824 372989109 /nfs/dbraw/zinc/98/91/09/372989109.db2.gz XFFQRCIVYSXCAL-AWEZNQCLSA-N -1 3 288.347 2.603 20 30 CFEDHM N#CCc1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000051266201 373392057 /nfs/dbraw/zinc/39/20/57/373392057.db2.gz HFJMTBDXBHFPKH-UHFFFAOYSA-N -1 3 295.224 2.526 20 30 CFEDHM N#CCc1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000051266201 373392066 /nfs/dbraw/zinc/39/20/66/373392066.db2.gz HFJMTBDXBHFPKH-UHFFFAOYSA-N -1 3 295.224 2.526 20 30 CFEDHM N#CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000054138296 373499753 /nfs/dbraw/zinc/49/97/53/373499753.db2.gz GTNCTNMHDMPJGF-UHFFFAOYSA-N -1 3 293.175 2.575 20 30 CFEDHM N#Cc1cccc(/C=C\C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000492554896 246326449 /nfs/dbraw/zinc/32/64/49/246326449.db2.gz UUCIBAJSGYWRRA-TWGQIWQCSA-N -1 3 296.301 2.959 20 30 CFEDHM C=CCOc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092119900 375090800 /nfs/dbraw/zinc/09/08/00/375090800.db2.gz FSISQUYAQRXNBX-UHFFFAOYSA-N -1 3 285.299 2.915 20 30 CFEDHM Cc1c(C(=O)[N-]c2sccc2C#N)sc2nccn12 ZINC000505389221 247136389 /nfs/dbraw/zinc/13/63/89/247136389.db2.gz OZYRUMFTTOBCQJ-UHFFFAOYSA-N -1 3 288.357 2.890 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc2nc(C)sc2c1 ZINC000123036053 376943852 /nfs/dbraw/zinc/94/38/52/376943852.db2.gz KGUBJEBFOGNQPM-UHFFFAOYSA-N -1 3 282.390 2.923 20 30 CFEDHM CCCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126705927 377242182 /nfs/dbraw/zinc/24/21/82/377242182.db2.gz GPVMLEDCNCLOKL-UHFFFAOYSA-N -1 3 286.784 2.680 20 30 CFEDHM CC[C@@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126733544 377245631 /nfs/dbraw/zinc/24/56/31/377245631.db2.gz WSWQTGSPLIPRFY-SECBINFHSA-N -1 3 286.784 2.536 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645642826 383725470 /nfs/dbraw/zinc/72/54/70/383725470.db2.gz JOIQRMCZXMATPV-UHFFFAOYSA-N -1 3 293.413 2.901 20 30 CFEDHM O=C(N[C@H]1CCCC(F)(F)C1)c1csc(=O)[n-]1 ZINC000329921106 378514120 /nfs/dbraw/zinc/51/41/20/378514120.db2.gz FLXZRSCHDIWDIT-LURJTMIESA-N -1 3 262.281 2.731 20 30 CFEDHM CCCC(C)(C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000330383415 378541591 /nfs/dbraw/zinc/54/15/91/378541591.db2.gz PTIHJJWAQIVMSI-UHFFFAOYSA-N -1 3 264.304 2.980 20 30 CFEDHM CCCC(C)(C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000330383415 378541594 /nfs/dbraw/zinc/54/15/94/378541594.db2.gz PTIHJJWAQIVMSI-UHFFFAOYSA-N -1 3 264.304 2.980 20 30 CFEDHM CCCC(C)(C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000330383415 378541598 /nfs/dbraw/zinc/54/15/98/378541598.db2.gz PTIHJJWAQIVMSI-UHFFFAOYSA-N -1 3 264.304 2.980 20 30 CFEDHM CCC[C@H](NC(=O)c1c[n-]nn1)C1CCCCC1 ZINC000330512247 378574282 /nfs/dbraw/zinc/57/42/82/378574282.db2.gz FVURDMJLVPIFMJ-NSHDSACASA-N -1 3 250.346 2.858 20 30 CFEDHM CCC[C@H](NC(=O)c1cnn[n-]1)C1CCCCC1 ZINC000330512247 378574286 /nfs/dbraw/zinc/57/42/86/378574286.db2.gz FVURDMJLVPIFMJ-NSHDSACASA-N -1 3 250.346 2.858 20 30 CFEDHM CCC[C@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC000330512247 378574295 /nfs/dbraw/zinc/57/42/95/378574295.db2.gz FVURDMJLVPIFMJ-NSHDSACASA-N -1 3 250.346 2.858 20 30 CFEDHM CC(=O)c1ccc(C(=O)N[C@H](C)C2CCOCC2)cc1[O-] ZINC000331239013 378655448 /nfs/dbraw/zinc/65/54/48/378655448.db2.gz OGRUXLNYGVVKFN-SNVBAGLBSA-N -1 3 291.347 2.715 20 30 CFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000331260964 378659341 /nfs/dbraw/zinc/65/93/41/378659341.db2.gz BWGJKMCSPYXZTP-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157291673 378652386 /nfs/dbraw/zinc/65/23/86/378652386.db2.gz NDBZJFGFZVDUIA-BXKDBHETSA-N -1 3 298.795 2.679 20 30 CFEDHM N#CC1(NC(=O)Cc2ccc([O-])cc2Cl)CCCC1 ZINC000163732467 378987864 /nfs/dbraw/zinc/98/78/64/378987864.db2.gz AOUWSMYRQHOEKM-UHFFFAOYSA-N -1 3 278.739 2.541 20 30 CFEDHM COc1cccc(F)c1[N-]C(=O)c1ccc(C#N)o1 ZINC000334348117 379135015 /nfs/dbraw/zinc/13/50/15/379135015.db2.gz SEFOBOVGCSOTPR-UHFFFAOYSA-N -1 3 260.224 2.551 20 30 CFEDHM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000335152504 379983611 /nfs/dbraw/zinc/98/36/11/379983611.db2.gz XQEDXMWESQDATJ-KRTXAFLBSA-N -1 3 295.136 2.643 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)cn2C)c1[O-] ZINC000176160371 380187597 /nfs/dbraw/zinc/18/75/97/380187597.db2.gz AZHXFDVMTJROQK-UHFFFAOYSA-N -1 3 289.722 2.817 20 30 CFEDHM Cc1cc(C(=O)[N-]c2scc(C)c2C#N)ns1 ZINC000335992273 380207223 /nfs/dbraw/zinc/20/72/23/380207223.db2.gz JTDXAKNOCLBLPS-UHFFFAOYSA-N -1 3 263.347 2.945 20 30 CFEDHM N#CC1(NC(=O)Cc2ccc([O-])cc2Cl)CCCCC1 ZINC000178464026 380453034 /nfs/dbraw/zinc/45/30/34/380453034.db2.gz PORJYQGJDGROJV-UHFFFAOYSA-N -1 3 292.766 2.931 20 30 CFEDHM C=CCOc1cccnc1C(=O)Nc1cc(F)ccc1[O-] ZINC000342151736 381214437 /nfs/dbraw/zinc/21/44/37/381214437.db2.gz GSMWOKUBGBRBFE-UHFFFAOYSA-N -1 3 288.278 2.743 20 30 CFEDHM CCc1cnccc1C([O-])=C(C#N)c1ccccn1 ZINC000183481980 381278042 /nfs/dbraw/zinc/27/80/42/381278042.db2.gz NNHLVPVABKDFQO-ZDUSSCGKSA-N -1 3 251.289 2.529 20 30 CFEDHM N#Cc1ccc(C[S@](=O)c2cccc([O-])c2)cc1 ZINC000184058059 381364916 /nfs/dbraw/zinc/36/49/16/381364916.db2.gz OBCKIUJMLDLWKR-SFHVURJKSA-N -1 3 257.314 2.572 20 30 CFEDHM Cc1ccnc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1 ZINC000347965019 381437757 /nfs/dbraw/zinc/43/77/57/381437757.db2.gz DFJCZLFPUUNEHE-UHFFFAOYSA-N -1 3 298.371 2.849 20 30 CFEDHM N#Cc1cc(F)cc(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000412999034 381529016 /nfs/dbraw/zinc/52/90/16/381529016.db2.gz DJRPPIFRCMEIKR-UHFFFAOYSA-N -1 3 285.278 2.649 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(OCC)cc1F ZINC000414394288 381583817 /nfs/dbraw/zinc/58/38/17/381583817.db2.gz FSUPFLBFEYTFDK-UHFFFAOYSA-N -1 3 273.329 2.542 20 30 CFEDHM CCCc1nc(C(=O)[N-]c2snc(C)c2C#N)co1 ZINC000298535916 381665176 /nfs/dbraw/zinc/66/51/76/381665176.db2.gz CKUALGMPHYGOBN-UHFFFAOYSA-N -1 3 276.321 2.516 20 30 CFEDHM CCOc1nc(C)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000361196568 381806626 /nfs/dbraw/zinc/80/66/26/381806626.db2.gz ZGRWJVFNIMMBPA-CYBMUJFWSA-N -1 3 281.315 2.674 20 30 CFEDHM COc1cc(Cl)cc(CN(C)[C@H](C)CC#N)c1[O-] ZINC000184688867 262026228 /nfs/dbraw/zinc/02/62/28/262026228.db2.gz FSSQXABHLUIHMS-SECBINFHSA-N -1 3 268.744 2.788 20 30 CFEDHM C=CCCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000351581173 382047076 /nfs/dbraw/zinc/04/70/76/382047076.db2.gz MTQMCYXOAUHWQT-UHFFFAOYSA-N -1 3 298.364 2.538 20 30 CFEDHM Cn1ccc(C([O-])=C(C#N)c2ccncn2)c1C1CCC1 ZINC000345993498 382327224 /nfs/dbraw/zinc/32/72/24/382327224.db2.gz NEVHARFQRVICKC-ZDUSSCGKSA-N -1 3 280.331 2.573 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H]1c2ccccc2O[C@@H]1C ZINC000294081601 382408111 /nfs/dbraw/zinc/40/81/11/382408111.db2.gz HYAVZURUYQYZHC-BXKDBHETSA-N -1 3 267.275 2.836 20 30 CFEDHM CC1(C)CC[C@H](NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328650710 382559287 /nfs/dbraw/zinc/55/92/87/382559287.db2.gz JHGQFMQFYSSFNX-VIFPVBQESA-N -1 3 276.315 2.980 20 30 CFEDHM CC1(C)CC[C@H](NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328650710 382559291 /nfs/dbraw/zinc/55/92/91/382559291.db2.gz JHGQFMQFYSSFNX-VIFPVBQESA-N -1 3 276.315 2.980 20 30 CFEDHM CC1(C)CC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328650710 382559295 /nfs/dbraw/zinc/55/92/95/382559295.db2.gz JHGQFMQFYSSFNX-VIFPVBQESA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@@H](C#N)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189392153 382602390 /nfs/dbraw/zinc/60/23/90/382602390.db2.gz LZXIZHUBOHPECB-ZETCQYMHSA-N -1 3 294.767 2.681 20 30 CFEDHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000190761398 382679904 /nfs/dbraw/zinc/67/99/04/382679904.db2.gz YCTDYMSNKUDPBE-CQSZACIVSA-N -1 3 293.326 2.839 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000194798632 382754491 /nfs/dbraw/zinc/75/44/91/382754491.db2.gz GNCCZWLKDUFPLY-UHFFFAOYSA-N -1 3 273.402 2.739 20 30 CFEDHM Cc1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)o1 ZINC000448316545 383052983 /nfs/dbraw/zinc/05/29/83/383052983.db2.gz WMTIPUAYWOQBGQ-UHFFFAOYSA-N -1 3 294.270 2.762 20 30 CFEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ncc(C#N)cc1C ZINC000551947792 383058367 /nfs/dbraw/zinc/05/83/67/383058367.db2.gz UAMGHCMBJHAMEC-UHFFFAOYSA-N -1 3 282.303 2.688 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000563728128 383168120 /nfs/dbraw/zinc/16/81/20/383168120.db2.gz BEKLSRUUOJKSTN-UHFFFAOYSA-N -1 3 299.440 2.568 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc2c(c1)nc(C)n2C ZINC000567209896 383252127 /nfs/dbraw/zinc/25/21/27/383252127.db2.gz FUHVBEDCKHIAGR-UHFFFAOYSA-N -1 3 293.392 2.590 20 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ZINC000452040816 331051706 /nfs/dbraw/zinc/05/17/06/331051706.db2.gz KZOLCKBPYWTYQY-UHFFFAOYSA-N -1 3 275.320 2.518 20 30 CFEDHM C=C(CC)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000456812457 331204980 /nfs/dbraw/zinc/20/49/80/331204980.db2.gz MWBHEAQXRKGCGS-UHFFFAOYSA-N -1 3 298.180 2.780 20 30 CFEDHM C=C(C)Cn1c(C(C)(C)C)n[n-]c1=NC(C)(C)C ZINC000463096013 331340094 /nfs/dbraw/zinc/34/00/94/331340094.db2.gz UDQWKNFPGYRGMT-UHFFFAOYSA-N -1 3 250.390 2.784 20 30 CFEDHM C#CCN(Cc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000491096659 332149190 /nfs/dbraw/zinc/14/91/90/332149190.db2.gz VFBQMZWNGVDQOL-UHFFFAOYSA-N -1 3 295.338 2.676 20 30 CFEDHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000491504511 332224616 /nfs/dbraw/zinc/22/46/16/332224616.db2.gz HZJIJEUMYKITJL-GFCCVEGCSA-N -1 3 281.302 2.705 20 30 CFEDHM C#C[C@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000491695025 332290895 /nfs/dbraw/zinc/29/08/95/332290895.db2.gz BNSFSZLOCCJKJK-JTQLQIEISA-N -1 3 281.315 2.535 20 30 CFEDHM N#CCOc1ccc(/C=C\C(=O)[N-]OC2CCCC2)cc1 ZINC000492369305 332394488 /nfs/dbraw/zinc/39/44/88/332394488.db2.gz VLGPDZIXLNCHNZ-YFHOEESVSA-N -1 3 286.331 2.593 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccccc1OCC ZINC000493388755 332438172 /nfs/dbraw/zinc/43/81/72/332438172.db2.gz QZQASQAZUIINDN-HCRIHEDKSA-N -1 3 261.321 2.721 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C\SCc1ccco1 ZINC000493479981 332441846 /nfs/dbraw/zinc/44/18/46/332441846.db2.gz DMLGXGNNCZCUMP-ALCCZGGFSA-N -1 3 253.323 2.650 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OCC)cc1 ZINC000493750200 332452521 /nfs/dbraw/zinc/45/25/21/332452521.db2.gz FDDGLBVJODKCFX-KGTBHZDVSA-N -1 3 261.321 2.721 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C\c1ccc(OC)c(OCC)c1 ZINC000493829075 332455678 /nfs/dbraw/zinc/45/56/78/332455678.db2.gz WHZQMCSQASLICM-CLFYSBASSA-N -1 3 291.347 2.731 20 30 CFEDHM C=CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000303830070 332954261 /nfs/dbraw/zinc/95/42/61/332954261.db2.gz QRUNGEAHVKGSLI-UHFFFAOYSA-N -1 3 283.327 2.887 20 30 CFEDHM CC#CCCCC(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000186101249 333154904 /nfs/dbraw/zinc/15/49/04/333154904.db2.gz WAQPNIPRXYKVQC-UHFFFAOYSA-N -1 3 292.335 2.546 20 30 CFEDHM C#C[C@H](CC)NCc1cccc([O-])c1Br ZINC000315761178 333383693 /nfs/dbraw/zinc/38/36/93/333383693.db2.gz SXQJIDOLMRYMEP-SNVBAGLBSA-N -1 3 268.154 2.656 20 30 CFEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2)c1ccncn1 ZINC000546858908 334052036 /nfs/dbraw/zinc/05/20/36/334052036.db2.gz RGGRIAVSRFMWAS-HNNXBMFYSA-N -1 3 277.327 2.845 20 30 CFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1F ZINC000555529984 334480867 /nfs/dbraw/zinc/48/08/67/334480867.db2.gz FJGHBWFLQGEEBO-UHFFFAOYSA-N -1 3 270.329 2.507 20 30 CFEDHM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1ccccn1 ZINC000580929044 335985064 /nfs/dbraw/zinc/98/50/64/335985064.db2.gz IINUNECVSVZITM-NSHDSACASA-N -1 3 269.304 2.992 20 30 CFEDHM C=CC(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000384853060 336133029 /nfs/dbraw/zinc/13/30/29/336133029.db2.gz LZOPWDUAXMGKJS-UHFFFAOYSA-N -1 3 253.729 2.988 20 30 CFEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230341841 522025136 /nfs/dbraw/zinc/02/51/36/522025136.db2.gz LRPDRDDTIXHKMP-ZJUUUORDSA-N -1 3 286.422 2.723 20 30 CFEDHM CC(C)CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169260218 519663383 /nfs/dbraw/zinc/66/33/83/519663383.db2.gz RESXAMPVQGVLQL-UHFFFAOYSA-N -1 3 286.784 2.536 20 30 CFEDHM N#CCC[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccccc1 ZINC000350641763 534656196 /nfs/dbraw/zinc/65/61/96/534656196.db2.gz LBWUEFDOICUWPN-LLVKDONJSA-N -1 3 287.344 2.624 20 30 CFEDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000166122320 534739142 /nfs/dbraw/zinc/73/91/42/534739142.db2.gz LKGDFIKOPVAJNJ-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM Cc1cccc(F)c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000345006162 534741079 /nfs/dbraw/zinc/74/10/79/534741079.db2.gz XOFTXDCAJHJSNN-UHFFFAOYSA-N -1 3 298.383 2.742 20 30 CFEDHM N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc([O-])c(F)c1 ZINC000078020288 526577479 /nfs/dbraw/zinc/57/74/79/526577479.db2.gz CNWRLICQHRPYQQ-UHFFFAOYSA-N -1 3 287.250 2.923 20 30 CFEDHM C=C[C@](C)(O)CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000355066736 527639316 /nfs/dbraw/zinc/63/93/16/527639316.db2.gz VLVPXEBZZQBCAP-LBPRGKRZSA-N -1 3 289.253 2.677 20 30 CFEDHM CCN(C[C@H](C)C#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345012786 528687727 /nfs/dbraw/zinc/68/77/27/528687727.db2.gz GSSSZJYXMBUIRO-GFCCVEGCSA-N -1 3 292.354 2.862 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2cn(C(C)C)nn2)s1 ZINC000460026557 536097205 /nfs/dbraw/zinc/09/72/05/536097205.db2.gz YVNXPEHOKVXBCC-UHFFFAOYSA-N -1 3 289.364 2.607 20 30 CFEDHM C=C[C@@H](CC)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000935380311 649903374 /nfs/dbraw/zinc/90/33/74/649903374.db2.gz RSFPIAOXNXGMMZ-NSHDSACASA-N -1 3 251.301 2.976 20 30 CFEDHM CC(N=Nc1cncc(Cl)n1)c1ccc([O-])c(F)c1 ZINC000728425892 574095732 /nfs/dbraw/zinc/09/57/32/574095732.db2.gz OIAQOXILYWSUDD-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM CC(=NN=Cc1cc(Cl)ccc1[O-])c1cnccn1 ZINC000745201599 574105998 /nfs/dbraw/zinc/10/59/98/574105998.db2.gz ISQCYNAUAKACGQ-UHFFFAOYSA-N -1 3 274.711 2.679 20 30 CFEDHM CC(=NNc1ccc(F)cn1)c1ccc([O-])cc1F ZINC000731317919 574116090 /nfs/dbraw/zinc/11/60/90/574116090.db2.gz GCFKCCOBHUSBAH-UHFFFAOYSA-N -1 3 263.247 2.902 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1ccccc1NC(C)=O ZINC000741464596 574120207 /nfs/dbraw/zinc/12/02/07/574120207.db2.gz PVXNLYKDZZHCAG-WQRHYEAKSA-N -1 3 298.342 2.978 20 30 CFEDHM COC(=O)[C@@H](C/N=C\c1c([O-])cccc1OC)CC(C)C ZINC000741465786 574120829 /nfs/dbraw/zinc/12/08/29/574120829.db2.gz YKVQZKFISPUFDL-HJPCULJESA-N -1 3 293.363 2.655 20 30 CFEDHM Cc1cc(C=NNc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737262240 574122431 /nfs/dbraw/zinc/12/24/31/574122431.db2.gz LFROBPYDHPEIQW-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737262240 574122433 /nfs/dbraw/zinc/12/24/33/574122433.db2.gz LFROBPYDHPEIQW-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C#CCCCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000754713910 574126889 /nfs/dbraw/zinc/12/68/89/574126889.db2.gz NUKFARMMPKHHEZ-UHFFFAOYSA-N -1 3 263.312 2.957 20 30 CFEDHM CN(Cc1cccc(F)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486465 574144280 /nfs/dbraw/zinc/14/42/80/574144280.db2.gz MHKINLVNRHJOAB-INIZCTEOSA-N -1 3 298.317 2.955 20 30 CFEDHM COc1cc(C=NOCc2cccnc2)cc(Cl)c1[O-] ZINC000746587239 574156629 /nfs/dbraw/zinc/15/66/29/574156629.db2.gz KIJSRRKAUOSVIQ-UHFFFAOYSA-N -1 3 292.722 3.000 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@H](C)C(=O)Nc1ccccc1 ZINC000732529087 574159867 /nfs/dbraw/zinc/15/98/67/574159867.db2.gz OKOZKLCXSPYGBH-MBNTZHJCSA-N -1 3 298.342 2.847 20 30 CFEDHM CC(C)C1N=NC(=S)N1N=Cc1c([O-])cccc1Cl ZINC000755535285 574167828 /nfs/dbraw/zinc/16/78/28/574167828.db2.gz IMFHCMHNRXUYIQ-UHFFFAOYSA-N -1 3 296.783 2.931 20 30 CFEDHM CC(C)(C)NC(=S)NN=Cc1c([O-])cccc1Cl ZINC000755565192 574168821 /nfs/dbraw/zinc/16/88/21/574168821.db2.gz TVSMAYVXMYZALD-UHFFFAOYSA-N -1 3 285.800 2.642 20 30 CFEDHM Cc1nn(C)cc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000755592522 574170062 /nfs/dbraw/zinc/17/00/62/574170062.db2.gz IWBVVSKDPSHWGD-ALCCZGGFSA-N -1 3 256.305 2.639 20 30 CFEDHM COc1ccc(CNC(=O)c2cc(C)ccc2[O-])cc1C#N ZINC000747068442 574178219 /nfs/dbraw/zinc/17/82/19/574178219.db2.gz HPWNGYZCNRLDCU-UHFFFAOYSA-N -1 3 296.326 2.511 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cc(F)c(F)cc2F)c1[O-] ZINC000729149334 574179865 /nfs/dbraw/zinc/17/98/65/574179865.db2.gz IVCFKRNGPHKPQF-UHFFFAOYSA-N -1 3 296.248 2.756 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-][C@H](C#N)CC(C)C)cc1 ZINC000755840140 574191671 /nfs/dbraw/zinc/19/16/71/574191671.db2.gz FGMUIICKJJAJFC-LBPRGKRZSA-N -1 3 296.317 2.841 20 30 CFEDHM CCOc1ccc(/C=N\C[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000733205086 574210932 /nfs/dbraw/zinc/21/09/32/574210932.db2.gz JYEFLAUBIVMREQ-MSBCHBQFSA-N -1 3 291.269 2.787 20 30 CFEDHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1C#N ZINC000756283156 574221380 /nfs/dbraw/zinc/22/13/80/574221380.db2.gz ZNUXPODBTKRQKB-UHFFFAOYSA-N -1 3 296.326 2.555 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1ncccc1C ZINC000729641390 574225664 /nfs/dbraw/zinc/22/56/64/574225664.db2.gz GXQHNCBCDSWHPB-CXUHLZMHSA-N -1 3 256.305 2.723 20 30 CFEDHM CC(=NNCC(F)F)c1ccc(N2CCCC2)cc1[O-] ZINC000748251318 574243636 /nfs/dbraw/zinc/24/36/36/574243636.db2.gz JKNVUTUZYYYLFC-UHFFFAOYSA-N -1 3 283.322 2.571 20 30 CFEDHM C=CCCOC(=O)c1cccc(Br)c1[O-] ZINC000740244500 574243998 /nfs/dbraw/zinc/24/39/98/574243998.db2.gz FLBJURZWYSXRBY-UHFFFAOYSA-N -1 3 271.110 2.888 20 30 CFEDHM [O-]c1ccc2ccccc2c1C=NNCC(F)F ZINC000740617414 574257338 /nfs/dbraw/zinc/25/73/38/574257338.db2.gz INYXBKARCIUEIK-UHFFFAOYSA-N -1 3 250.248 2.734 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@](C)(O)c1ccccc1 ZINC000733904214 574261089 /nfs/dbraw/zinc/26/10/89/574261089.db2.gz XIJFGROHQCPVEJ-PBXDPIQXSA-N -1 3 285.343 2.727 20 30 CFEDHM C#CC[C@H](/N=C\c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000756848215 574268240 /nfs/dbraw/zinc/26/82/40/574268240.db2.gz YIMXJRSQHOIXCN-DZBQEORWSA-N -1 3 281.311 2.987 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccc(Br)cc1 ZINC000740872111 574271675 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ZINC000735402061 574323765 /nfs/dbraw/zinc/32/37/65/574323765.db2.gz GVMNODLKXDJYMF-UHFFFAOYSA-N -1 3 264.716 2.615 20 30 CFEDHM C=CCCSCc1ccc(-c2nnn[n-]2)cc1F ZINC000735416224 574324800 /nfs/dbraw/zinc/32/48/00/574324800.db2.gz FLFAIUMKUZOHLM-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCCSCc1ccc(-c2nn[n-]n2)cc1F ZINC000735416224 574324802 /nfs/dbraw/zinc/32/48/02/574324802.db2.gz FLFAIUMKUZOHLM-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM CC(C)(C)CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735603714 574330900 /nfs/dbraw/zinc/33/09/00/574330900.db2.gz OJSGREFTRSQTSL-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CC(C)(C)CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735603714 574330902 /nfs/dbraw/zinc/33/09/02/574330902.db2.gz OJSGREFTRSQTSL-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CC[C@H](C)C[C@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000743042233 574352086 /nfs/dbraw/zinc/35/20/86/574352086.db2.gz IIICBYYGRRQFEC-DICGKTMHSA-N -1 3 264.369 2.832 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/CC(C2CC2)C2CC2)c1O ZINC000743044197 574352561 /nfs/dbraw/zinc/35/25/61/574352561.db2.gz GTQDMOXCVMKYQC-FRKPEAEDSA-N -1 3 261.321 2.659 20 30 CFEDHM CCOc1ccc(/C=N/C[C@@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000743043914 574352598 /nfs/dbraw/zinc/35/25/98/574352598.db2.gz BWYYZUULUHZAHX-YXHQGMJNSA-N -1 3 293.363 2.798 20 30 CFEDHM N#Cc1cnc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737728550 574356509 /nfs/dbraw/zinc/35/65/09/574356509.db2.gz QTVFXAJGTVTQJZ-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1cnc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737728550 574356510 /nfs/dbraw/zinc/35/65/10/574356510.db2.gz QTVFXAJGTVTQJZ-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000739118229 574360434 /nfs/dbraw/zinc/36/04/34/574360434.db2.gz PLSWSVWPQXHJGJ-OAHLLOKOSA-N -1 3 284.290 2.613 20 30 CFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCCCC1 ZINC000743448593 574364913 /nfs/dbraw/zinc/36/49/13/574364913.db2.gz WRQIFJTVODLAFG-UHFFFAOYSA-N -1 3 294.420 2.859 20 30 CFEDHM COc1cccc([O-])c1/C=N\Cc1ccc2c(c1)CCO2 ZINC000750950473 574365155 /nfs/dbraw/zinc/36/51/55/574365155.db2.gz WDZIAEWOWVDSBF-WQRHYEAKSA-N -1 3 283.327 2.955 20 30 CFEDHM O=C1[C@@H](/N=C/c2ccccc2[O-])CCN1Cc1ccccc1 ZINC000743537956 574368272 /nfs/dbraw/zinc/36/82/72/574368272.db2.gz FBLZTRCRNFXWGZ-QUYZQLMHSA-N -1 3 294.354 2.612 20 30 CFEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccccc1C1CC1 ZINC000751131881 574369936 /nfs/dbraw/zinc/36/99/36/574369936.db2.gz YZMYWHMWKFYSLN-UHFFFAOYSA-N -1 3 278.319 2.676 20 30 CFEDHM COC(=O)Cc1ccccc1N=Cc1c([O-])cccc1OC ZINC000751890001 574384317 /nfs/dbraw/zinc/38/43/17/574384317.db2.gz HTJSVDWKFYFCKW-UHFFFAOYSA-N -1 3 299.326 2.867 20 30 CFEDHM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(C#N)[n-]1 ZINC000752481605 574391820 /nfs/dbraw/zinc/39/18/20/574391820.db2.gz CXZUXAWXFBAYJZ-QMMMGPOBSA-N -1 3 298.273 2.935 20 30 CFEDHM CC(C)CCC(C)N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820241163 607254376 /nfs/dbraw/zinc/25/43/76/607254376.db2.gz FTNPEBHYUMKZJI-UHFFFAOYSA-N -1 3 286.383 2.768 20 30 CFEDHM CC(C)CCC(C)N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820241163 607254377 /nfs/dbraw/zinc/25/43/77/607254377.db2.gz FTNPEBHYUMKZJI-UHFFFAOYSA-N -1 3 286.383 2.768 20 30 CFEDHM COc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1O ZINC000900095393 620636939 /nfs/dbraw/zinc/63/69/39/620636939.db2.gz BNKFBSYKARJDPG-UHFFFAOYSA-N -1 3 291.278 2.572 20 30 CFEDHM Cc1nc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)s1 ZINC000900094300 620636990 /nfs/dbraw/zinc/63/69/90/620636990.db2.gz LFDIEPZDSGCFSK-UHFFFAOYSA-N -1 3 280.324 2.931 20 30 CFEDHM O=C(Cc1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000900094180 620637165 /nfs/dbraw/zinc/63/71/65/620637165.db2.gz ISJDDZUELFWCLW-UHFFFAOYSA-N -1 3 277.270 2.925 20 30 CFEDHM O=C([C@@H]1CCOC1)N([O-])Cc1cccc2ccccc21 ZINC000900091811 620637283 /nfs/dbraw/zinc/63/72/83/620637283.db2.gz OJGROIKOFRPBTA-CQSZACIVSA-N -1 3 271.316 2.594 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819734302 607265643 /nfs/dbraw/zinc/26/56/43/607265643.db2.gz LGSUKIHVQGLHBZ-UHFFFAOYSA-N -1 3 297.362 2.882 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819734302 607265644 /nfs/dbraw/zinc/26/56/44/607265644.db2.gz LGSUKIHVQGLHBZ-UHFFFAOYSA-N -1 3 297.362 2.882 20 30 CFEDHM C/C(=C\CN(Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000825730226 601159625 /nfs/dbraw/zinc/15/96/25/601159625.db2.gz TWZHQPSZUOZCQW-XYOKQWHBSA-N -1 3 270.332 2.554 20 30 CFEDHM CCN(CC)c1ccc(/C=[NH+]\CC(C)(C)C(=O)[O-])c([O-])c1 ZINC000829684213 601612641 /nfs/dbraw/zinc/61/26/41/601612641.db2.gz RSNKITWOLIMZLC-YVLHZVERSA-N -1 3 292.379 2.768 20 30 CFEDHM C[C@H](C(=O)[O-])[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000833406143 604974164 /nfs/dbraw/zinc/97/41/64/604974164.db2.gz CHUYRJUOLDLQAX-LRDDRELGSA-N -1 3 295.342 2.505 20 30 CFEDHM C#CC[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC000833360272 605115782 /nfs/dbraw/zinc/11/57/82/605115782.db2.gz HTGXUTBQIOTROI-CQSZACIVSA-N -1 3 268.316 2.567 20 30 CFEDHM N#CCCCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000822805945 606074712 /nfs/dbraw/zinc/07/47/12/606074712.db2.gz GZQYNHQZOYOQIM-UHFFFAOYSA-N -1 3 293.334 2.521 20 30 CFEDHM N#CCCCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000822805945 606074716 /nfs/dbraw/zinc/07/47/16/606074716.db2.gz GZQYNHQZOYOQIM-UHFFFAOYSA-N -1 3 293.334 2.521 20 30 CFEDHM Cc1cccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822327321 606202166 /nfs/dbraw/zinc/20/21/66/606202166.db2.gz GKHBOFLCHFIAQV-UHFFFAOYSA-N -1 3 284.348 2.683 20 30 CFEDHM Cc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822327321 606202169 /nfs/dbraw/zinc/20/21/69/606202169.db2.gz GKHBOFLCHFIAQV-UHFFFAOYSA-N -1 3 284.348 2.683 20 30 CFEDHM Fc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822782709 606204389 /nfs/dbraw/zinc/20/43/89/606204389.db2.gz CAGKPLXORXYBNL-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM Fc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822782709 606204390 /nfs/dbraw/zinc/20/43/90/606204390.db2.gz CAGKPLXORXYBNL-UHFFFAOYSA-N -1 3 288.311 2.513 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccs1 ZINC000822923800 606302722 /nfs/dbraw/zinc/30/27/22/606302722.db2.gz UQHHIROQCYYSHZ-ONEGZZNKSA-N -1 3 288.357 2.886 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccs1 ZINC000822923800 606302724 /nfs/dbraw/zinc/30/27/24/606302724.db2.gz UQHHIROQCYYSHZ-ONEGZZNKSA-N -1 3 288.357 2.886 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(O)c1 ZINC000822922639 606304569 /nfs/dbraw/zinc/30/45/69/606304569.db2.gz IJNMWXXAWSAQFX-PLNGDYQASA-N -1 3 298.327 2.530 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(O)c1 ZINC000822922639 606304571 /nfs/dbraw/zinc/30/45/71/606304571.db2.gz IJNMWXXAWSAQFX-PLNGDYQASA-N -1 3 298.327 2.530 20 30 CFEDHM CCc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821495999 606370389 /nfs/dbraw/zinc/37/03/89/606370389.db2.gz AHVKXWOEFRFONI-UHFFFAOYSA-N -1 3 298.375 2.937 20 30 CFEDHM Clc1cccc(NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826353590 607882261 /nfs/dbraw/zinc/88/22/61/607882261.db2.gz WGGHYQUEVDNNEW-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM Clc1cccc(NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826353590 607882262 /nfs/dbraw/zinc/88/22/62/607882262.db2.gz WGGHYQUEVDNNEW-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM C=C(CC)CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823878418 608289255 /nfs/dbraw/zinc/28/92/55/608289255.db2.gz YHPBZDYJRGIIKM-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM C=CCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823894881 608275102 /nfs/dbraw/zinc/27/51/02/608275102.db2.gz ZAFCWGDTMFGXCF-NSHDSACASA-N -1 3 286.335 2.687 20 30 CFEDHM C=CCC[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823894881 608275103 /nfs/dbraw/zinc/27/51/03/608275103.db2.gz ZAFCWGDTMFGXCF-NSHDSACASA-N -1 3 286.335 2.687 20 30 CFEDHM C=C(CC)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823877850 608289475 /nfs/dbraw/zinc/28/94/75/608289475.db2.gz IIBBCZNJNMRQBK-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM C=C(CC)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823877850 608289476 /nfs/dbraw/zinc/28/94/76/608289476.db2.gz IIBBCZNJNMRQBK-UHFFFAOYSA-N -1 3 264.716 2.865 20 30 CFEDHM C=C(CC)CSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823883297 608298713 /nfs/dbraw/zinc/29/87/13/608298713.db2.gz NVDNMNLFALMGTR-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=C(CC)CSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823883297 608298715 /nfs/dbraw/zinc/29/87/15/608298715.db2.gz NVDNMNLFALMGTR-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C#CCCCSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823841464 608321327 /nfs/dbraw/zinc/32/13/27/608321327.db2.gz NYNIOXLHIGTMLW-UHFFFAOYSA-N -1 3 288.376 2.522 20 30 CFEDHM C#CCCCSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823841464 608321329 /nfs/dbraw/zinc/32/13/29/608321329.db2.gz NYNIOXLHIGTMLW-UHFFFAOYSA-N -1 3 288.376 2.522 20 30 CFEDHM C#CCCCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823841373 608330653 /nfs/dbraw/zinc/33/06/53/608330653.db2.gz LXXIYQSUHXBQAJ-GFCCVEGCSA-N -1 3 298.346 2.665 20 30 CFEDHM C#CCCCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823841373 608330655 /nfs/dbraw/zinc/33/06/55/608330655.db2.gz LXXIYQSUHXBQAJ-GFCCVEGCSA-N -1 3 298.346 2.665 20 30 CFEDHM CC[C@H](C)C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825051396 608535601 /nfs/dbraw/zinc/53/56/01/608535601.db2.gz ONPGIIIWDKMTNA-ZETCQYMHSA-N -1 3 293.762 2.749 20 30 CFEDHM CC[C@H](C)C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825051396 608535602 /nfs/dbraw/zinc/53/56/02/608535602.db2.gz ONPGIIIWDKMTNA-ZETCQYMHSA-N -1 3 293.762 2.749 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC000900682764 620701442 /nfs/dbraw/zinc/70/14/42/620701442.db2.gz RIDSMOKEGXDVSA-LLVKDONJSA-N -1 3 276.336 2.520 20 30 CFEDHM C[C@H]1C[C@@H]1CN=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824898035 609470875 /nfs/dbraw/zinc/47/08/75/609470875.db2.gz CQCAMQXSQQLYQM-JGVFFNPUSA-N -1 3 276.731 2.574 20 30 CFEDHM C[C@H]1C[C@@H]1CN=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824898035 609470877 /nfs/dbraw/zinc/47/08/77/609470877.db2.gz CQCAMQXSQQLYQM-JGVFFNPUSA-N -1 3 276.731 2.574 20 30 CFEDHM N#CCc1ccc(COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382483 609482541 /nfs/dbraw/zinc/48/25/41/609482541.db2.gz GTHGZJAZLVOEQF-UHFFFAOYSA-N -1 3 291.314 2.512 20 30 CFEDHM C=C(C)CN(CC)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823878347 609530377 /nfs/dbraw/zinc/53/03/77/609530377.db2.gz WABFZJRMKYVJND-UHFFFAOYSA-N -1 3 292.774 2.626 20 30 CFEDHM C=C(C)CN(CC)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823878347 609530379 /nfs/dbraw/zinc/53/03/79/609530379.db2.gz WABFZJRMKYVJND-UHFFFAOYSA-N -1 3 292.774 2.626 20 30 CFEDHM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823841916 609540378 /nfs/dbraw/zinc/54/03/78/609540378.db2.gz VCRCUOHWKNFOEV-UHFFFAOYSA-N -1 3 297.362 2.697 20 30 CFEDHM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823841916 609540380 /nfs/dbraw/zinc/54/03/80/609540380.db2.gz VCRCUOHWKNFOEV-UHFFFAOYSA-N -1 3 297.362 2.697 20 30 CFEDHM N#CCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826381707 609589232 /nfs/dbraw/zinc/58/92/32/609589232.db2.gz WANABSLNTUYLNV-UHFFFAOYSA-N -1 3 296.256 2.601 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc(F)cc1 ZINC000848245726 617896862 /nfs/dbraw/zinc/89/68/62/617896862.db2.gz NYOMOJAZGIHDKG-NSHDSACASA-N -1 3 251.301 2.771 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N\C1CCOCC1 ZINC000255470525 617963252 /nfs/dbraw/zinc/96/32/52/617963252.db2.gz SQUMIBNUQDQNKP-ZSOIEALJSA-N -1 3 284.153 2.753 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000156077449 617637406 /nfs/dbraw/zinc/63/74/06/617637406.db2.gz JXKMRUUWMXBWLF-UHFFFAOYSA-N -1 3 291.347 2.939 20 30 CFEDHM C#CCO[N-]C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000812786087 617897618 /nfs/dbraw/zinc/89/76/18/617897618.db2.gz BSEWQXPYYKWWIH-HUUCEWRRSA-N -1 3 281.396 2.823 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NNCCOCC(F)(F)F)c1 ZINC000901205867 620764453 /nfs/dbraw/zinc/76/44/53/620764453.db2.gz QUWIZDREVHSADL-UHFFFAOYSA-N -1 3 296.676 2.548 20 30 CFEDHM CCOC(=O)C(C)(C)ON=C(C)c1cc([O-])cc(F)c1 ZINC000901249283 620771949 /nfs/dbraw/zinc/77/19/49/620771949.db2.gz ANIHJTJYIVFQJU-UHFFFAOYSA-N -1 3 283.299 2.614 20 30 CFEDHM [O-]c1cc(Cl)cc(C=NN[C@H]2CCCSC2)c1 ZINC000901278094 620775748 /nfs/dbraw/zinc/77/57/48/620775748.db2.gz MBTAZJFQGLWRKE-NSHDSACASA-N -1 3 270.785 2.865 20 30 CFEDHM C[C@@H](C#N)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000054179995 618274639 /nfs/dbraw/zinc/27/46/39/618274639.db2.gz IGGOUVRGEPHKPE-ZETCQYMHSA-N -1 3 259.136 2.948 20 30 CFEDHM CCn1ncc(Cl)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372419 620791632 /nfs/dbraw/zinc/79/16/32/620791632.db2.gz YRMWLGZYTDIEHV-UHFFFAOYSA-N -1 3 297.717 2.727 20 30 CFEDHM CC(C)c1ocnc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371815 620796682 /nfs/dbraw/zinc/79/66/82/620796682.db2.gz IRMRQVCFRJUZPW-UHFFFAOYSA-N -1 3 278.283 2.969 20 30 CFEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372065 620797170 /nfs/dbraw/zinc/79/71/70/620797170.db2.gz PAYXDRYMTKHISJ-DEKYYXRVSA-N -1 3 281.327 2.603 20 30 CFEDHM C[C@@H]1CC[C@@H](CCC(=O)N([O-])Cc2ccc(F)cc2)O1 ZINC000901372193 620797347 /nfs/dbraw/zinc/79/73/47/620797347.db2.gz UIBIVWMLXOCOLG-RISCZKNCSA-N -1 3 281.327 2.891 20 30 CFEDHM O=C(c1ccc2c(c1)COC2)N([O-])Cc1ccc(F)cc1 ZINC000901374614 620798579 /nfs/dbraw/zinc/79/85/79/620798579.db2.gz NNQBLCVCQXAPGX-UHFFFAOYSA-N -1 3 287.290 2.888 20 30 CFEDHM Cc1noc(C)c1[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374813 620798671 /nfs/dbraw/zinc/79/86/71/620798671.db2.gz SLJDQJUOZWSCSH-SECBINFHSA-N -1 3 292.310 2.952 20 30 CFEDHM O=C(c1ccncc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901376430 620798783 /nfs/dbraw/zinc/79/87/83/620798783.db2.gz SHPKLCRIRAEGCL-UHFFFAOYSA-N -1 3 280.686 2.906 20 30 CFEDHM O=C1[C@H](NCc2c(Cl)oc3ccccc32)CCCN1[O-] ZINC000895160578 618408010 /nfs/dbraw/zinc/40/80/10/618408010.db2.gz BBVGXZVPMZDGAG-LLVKDONJSA-N -1 3 294.738 2.556 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNCCC(F)(F)F ZINC000794552482 618418533 /nfs/dbraw/zinc/41/85/33/618418533.db2.gz JZJWQMDNDGHSDF-UHFFFAOYSA-N -1 3 266.650 2.922 20 30 CFEDHM Cc1cc([O-])c(CN(CCC#N)CCC#N)c(Cl)c1 ZINC000840937834 619077787 /nfs/dbraw/zinc/07/77/87/619077787.db2.gz YFRDVQDFWFRSJP-UHFFFAOYSA-N -1 3 277.755 2.983 20 30 CFEDHM C=C1CC(c2noc(-c3cc4c(cc3[O-])OCO4)n2)C1 ZINC000896884822 619858289 /nfs/dbraw/zinc/85/82/89/619858289.db2.gz VOGYDUBPAZYANK-UHFFFAOYSA-N -1 3 272.260 2.605 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC3(CC3)C2)c1[O-] ZINC000899230168 620533459 /nfs/dbraw/zinc/53/34/59/620533459.db2.gz FARFNGIFJXSOLY-VVSAQIQQSA-N -1 3 274.364 2.730 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCC3(CC3)C2)c1[O-] ZINC000899230166 620533523 /nfs/dbraw/zinc/53/35/23/620533523.db2.gz FARFNGIFJXSOLY-ODGFMFMFSA-N -1 3 274.364 2.730 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCSC(C)(C)C2)c1[O-] ZINC000899232496 620534164 /nfs/dbraw/zinc/53/41/64/620534164.db2.gz OVAMXPJHRNWEQM-OYZNXWOWSA-N -1 3 294.420 2.681 20 30 CFEDHM CCn1cc(/C=C/C(=O)c2cc(C)c([O-])c(O)c2)c(C)n1 ZINC000899380566 620558323 /nfs/dbraw/zinc/55/83/23/620558323.db2.gz IHEHZIBAPHHJCR-AATRIKPKSA-N -1 3 286.331 2.827 20 30 CFEDHM Cc1cc(C(=O)/C=C/c2cn(C3CC3)cn2)cc(O)c1[O-] ZINC000901525035 620845219 /nfs/dbraw/zinc/84/52/19/620845219.db2.gz SUOBGPCUUQSBJM-GORDUTHDSA-N -1 3 284.315 2.834 20 30 CFEDHM C#CCN(CCC(C)(C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000902187425 620991177 /nfs/dbraw/zinc/99/11/77/620991177.db2.gz FRCXIWWUNZRCOF-UHFFFAOYSA-N -1 3 277.339 2.762 20 30 CFEDHM C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000903409630 621364765 /nfs/dbraw/zinc/36/47/65/621364765.db2.gz WSWYZCJWOJJBPM-IINYFYTJSA-N -1 3 292.766 2.754 20 30 CFEDHM C=CC(C)(C)CCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000832714307 625491084 /nfs/dbraw/zinc/49/10/84/625491084.db2.gz BFWADDRDUKCIFW-UHFFFAOYSA-N -1 3 289.379 2.782 20 30 CFEDHM C=CCCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903957166 621478653 /nfs/dbraw/zinc/47/86/53/621478653.db2.gz LXTWHDVQJLUXQJ-UHFFFAOYSA-N -1 3 261.321 2.545 20 30 CFEDHM O=C([C@H]1CCSC1)N([O-])Cc1ccccc1Cl ZINC000904189971 621545903 /nfs/dbraw/zinc/54/59/03/621545903.db2.gz DRHAUVZMEHMFIB-JTQLQIEISA-N -1 3 271.769 2.811 20 30 CFEDHM CC(=O)[C@@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1(C)C ZINC000904173072 621541605 /nfs/dbraw/zinc/54/16/05/621541605.db2.gz GGKAMRBYAZWRAS-UONOGXRCSA-N -1 3 293.338 2.795 20 30 CFEDHM O=C(C1CSC1)N([O-])Cc1cccc2ccccc21 ZINC000904174088 621542091 /nfs/dbraw/zinc/54/20/91/621542091.db2.gz ZZCNZJWRNVTGPO-UHFFFAOYSA-N -1 3 273.357 2.921 20 30 CFEDHM C=C(C)[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)OCC ZINC000904174181 621542181 /nfs/dbraw/zinc/54/21/81/621542181.db2.gz WBXNTOBCGJYWNG-AWEZNQCLSA-N -1 3 281.327 2.915 20 30 CFEDHM COCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCC1 ZINC000904177647 621543022 /nfs/dbraw/zinc/54/30/22/621543022.db2.gz KLOJOQLRDYJVGC-UHFFFAOYSA-N -1 3 281.327 2.750 20 30 CFEDHM CO[C@@H]1CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178106 621543664 /nfs/dbraw/zinc/54/36/64/621543664.db2.gz ZBJQLWCMXVJTHR-UONOGXRCSA-N -1 3 281.327 2.749 20 30 CFEDHM CCCCN([O-])C(=O)CCCn1cnc2ccccc21 ZINC000904208623 621544569 /nfs/dbraw/zinc/54/45/69/621544569.db2.gz DFORUTLRSDJEBS-UHFFFAOYSA-N -1 3 275.352 2.834 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC000904208422 621544614 /nfs/dbraw/zinc/54/46/14/621544614.db2.gz YWUPSWWKQLXCDI-HNNXBMFYSA-N -1 3 292.379 2.580 20 30 CFEDHM CCCCN([O-])C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000904208941 621545084 /nfs/dbraw/zinc/54/50/84/621545084.db2.gz NFXBNNKFLMWFKU-UHFFFAOYSA-N -1 3 258.299 2.596 20 30 CFEDHM CCCCN([O-])C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000904209326 621545131 /nfs/dbraw/zinc/54/51/31/621545131.db2.gz ZGCVCENBHSKEHX-UHFFFAOYSA-N -1 3 274.320 2.501 20 30 CFEDHM CCCCN([O-])C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000904210695 621545483 /nfs/dbraw/zinc/54/54/83/621545483.db2.gz XSOSMVYBMREJPY-UHFFFAOYSA-N -1 3 290.363 2.522 20 30 CFEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1cnn(C)c1 ZINC000904188971 621545900 /nfs/dbraw/zinc/54/59/00/621545900.db2.gz USWAWIRSQWHBOZ-SNVBAGLBSA-N -1 3 293.754 2.595 20 30 CFEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)[C@H](C)O1 ZINC000904192126 621546420 /nfs/dbraw/zinc/54/64/20/621546420.db2.gz AUIDBGIMCWKANO-JFGNBEQYSA-N -1 3 283.755 2.871 20 30 CFEDHM CCOC1CC(C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192913 621546756 /nfs/dbraw/zinc/54/67/56/621546756.db2.gz FAGDMAKDAJFMMG-UHFFFAOYSA-N -1 3 283.755 2.873 20 30 CFEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)n1cccn1 ZINC000904193896 621547163 /nfs/dbraw/zinc/54/71/63/621547163.db2.gz YPPFRXQNGRAAMV-LLVKDONJSA-N -1 3 293.754 2.906 20 30 CFEDHM O=C(c1cc2n(n1)CCC2)N([O-])CCCCc1ccccc1 ZINC000904196553 621547792 /nfs/dbraw/zinc/54/77/92/621547792.db2.gz XWDNPHUGPNBLCJ-UHFFFAOYSA-N -1 3 299.374 2.684 20 30 CFEDHM CC[C@@H](OC)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201111 621549071 /nfs/dbraw/zinc/54/90/71/621549071.db2.gz JAQPJXYJRGGXTC-CQSZACIVSA-N -1 3 265.353 2.652 20 30 CFEDHM CC(C)(C#N)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201519 621549084 /nfs/dbraw/zinc/54/90/84/621549084.db2.gz VKYBLKFZTFOXPW-UHFFFAOYSA-N -1 3 260.337 2.777 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1ccccc1C(N)=O ZINC000904204564 621550392 /nfs/dbraw/zinc/55/03/92/621550392.db2.gz OPVIAQMRVZTLEO-UHFFFAOYSA-N -1 3 292.379 2.516 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCc2cccnc21 ZINC000904204456 621550446 /nfs/dbraw/zinc/55/04/46/621550446.db2.gz MCKGHSIYQJQHOI-ZDUSSCGKSA-N -1 3 262.353 2.910 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccc(Cl)nn1 ZINC000904204708 621550588 /nfs/dbraw/zinc/55/05/88/621550588.db2.gz RCNGJJYGMUGJCV-UHFFFAOYSA-N -1 3 257.721 2.542 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1cccnc1 ZINC000904204757 621550667 /nfs/dbraw/zinc/55/06/67/621550667.db2.gz UJKBOELRQAHLRF-GFCCVEGCSA-N -1 3 266.341 2.647 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccc(C)nc1 ZINC000904205349 621550987 /nfs/dbraw/zinc/55/09/87/621550987.db2.gz IRYLRQPZENTGNS-UHFFFAOYSA-N -1 3 250.342 2.731 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CCc2sccc2C1=O ZINC000904215662 621551571 /nfs/dbraw/zinc/55/15/71/621551571.db2.gz IVSCEUOAWQGRBE-SNVBAGLBSA-N -1 3 281.377 2.901 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000904211712 621553799 /nfs/dbraw/zinc/55/37/99/621553799.db2.gz BHOWGPVLJURKQZ-CYBMUJFWSA-N -1 3 262.353 2.628 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](c1cccnc1)C(C)C ZINC000904212326 621553900 /nfs/dbraw/zinc/55/39/00/621553900.db2.gz DGSSDLIYAILRNT-CYBMUJFWSA-N -1 3 250.342 2.839 20 30 CFEDHM CCCCN([O-])C(=O)CCc1nnc(C2CCCC2)o1 ZINC000904212403 621553968 /nfs/dbraw/zinc/55/39/68/621553968.db2.gz QVAWAFRAYUUFPV-UHFFFAOYSA-N -1 3 281.356 2.678 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000904213652 621554340 /nfs/dbraw/zinc/55/43/40/621554340.db2.gz WBANIHUZCPVGME-ZDUSSCGKSA-N -1 3 261.321 2.765 20 30 CFEDHM CCCCN([O-])C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000904212792 621554598 /nfs/dbraw/zinc/55/45/98/621554598.db2.gz UWGHGGMXPUENAD-VIFPVBQESA-N -1 3 270.354 2.626 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000904213733 621554619 /nfs/dbraw/zinc/55/46/19/621554619.db2.gz YTSLUXCKEVJOCK-IUCAKERBSA-N -1 3 253.264 2.983 20 30 CFEDHM C=CCCC[C@@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000904688414 621622721 /nfs/dbraw/zinc/62/27/21/621622721.db2.gz AVLFOJHREMLPAE-LLVKDONJSA-N -1 3 277.299 2.937 20 30 CFEDHM CC(=NNC12CC(C1)C2)c1ccc([O-])cc1Cl ZINC000905485326 621775274 /nfs/dbraw/zinc/77/52/74/621775274.db2.gz VVYSASRCQJJACR-UHFFFAOYSA-N -1 3 250.729 2.912 20 30 CFEDHM C=CCOc1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000832845131 625533640 /nfs/dbraw/zinc/53/36/40/625533640.db2.gz FOSJVPZGZPPRJY-UHFFFAOYSA-N -1 3 275.348 2.642 20 30 CFEDHM C=C(Cl)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299198 622870436 /nfs/dbraw/zinc/87/04/36/622870436.db2.gz HUMDDQICWLKSQY-UHFFFAOYSA-N -1 3 252.657 2.579 20 30 CFEDHM C=C(Cl)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299198 622870440 /nfs/dbraw/zinc/87/04/40/622870440.db2.gz HUMDDQICWLKSQY-UHFFFAOYSA-N -1 3 252.657 2.579 20 30 CFEDHM N#Cc1ccccc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913299241 622871037 /nfs/dbraw/zinc/87/10/37/622871037.db2.gz WQLAICNKRAMJDS-UHFFFAOYSA-N -1 3 293.282 2.898 20 30 CFEDHM N#Cc1ccccc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913299241 622871040 /nfs/dbraw/zinc/87/10/40/622871040.db2.gz WQLAICNKRAMJDS-UHFFFAOYSA-N -1 3 293.282 2.898 20 30 CFEDHM CC(C)(C#N)C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000821819627 622982786 /nfs/dbraw/zinc/98/27/86/622982786.db2.gz CNZYBKRNHSADNW-UHFFFAOYSA-N -1 3 288.244 2.723 20 30 CFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Oc2ccccc21 ZINC000823504260 623336241 /nfs/dbraw/zinc/33/62/41/623336241.db2.gz NWWBTPVYUJXJTG-SDQBBNPISA-N -1 3 296.311 2.544 20 30 CFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Oc2ccccc21 ZINC000823504260 623336245 /nfs/dbraw/zinc/33/62/45/623336245.db2.gz NWWBTPVYUJXJTG-SDQBBNPISA-N -1 3 296.311 2.544 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Nc1nnc(CCC(C)C)s1 ZINC000824212319 623469828 /nfs/dbraw/zinc/46/98/28/623469828.db2.gz DUTRGVCNJAHWRN-VIFPVBQESA-N -1 3 284.385 2.754 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccnn1C ZINC000913617851 623532230 /nfs/dbraw/zinc/53/22/30/623532230.db2.gz WKMWPGBYFFEVKO-LRUQUBRESA-N -1 3 272.279 2.648 20 30 CFEDHM C[C@H](CC#N)N(C)Cc1ccc(Br)cc1[O-] ZINC000824713280 623549747 /nfs/dbraw/zinc/54/97/47/623549747.db2.gz DWXPHKNJSJCBHE-SECBINFHSA-N -1 3 283.169 2.889 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000825566652 623716536 /nfs/dbraw/zinc/71/65/36/623716536.db2.gz ZIUFUAXJCCPTIS-UWVGGRQHSA-N -1 3 281.274 2.500 20 30 CFEDHM Cc1cc([O-])c(CN2CC[C@@](F)(C#N)C2)cc1Cl ZINC000825652507 623731274 /nfs/dbraw/zinc/73/12/74/623731274.db2.gz SXIOKYJWVHOHOM-CYBMUJFWSA-N -1 3 268.719 2.792 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccccc2)c1[O-] ZINC000914701450 623923073 /nfs/dbraw/zinc/92/30/73/623923073.db2.gz IPUSZNUZPLQKKG-GRSHGNNSSA-N -1 3 298.386 2.985 20 30 CFEDHM CC(=NN[C@@H]1CCOC1(C)C)c1cc(Cl)ccc1[O-] ZINC000835014381 623933791 /nfs/dbraw/zinc/93/37/91/623933791.db2.gz RDUOWOLUDSKANE-CYBMUJFWSA-N -1 3 282.771 2.927 20 30 CFEDHM CCC(N=Nc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)CCO2 ZINC000915932445 624188276 /nfs/dbraw/zinc/18/82/76/624188276.db2.gz RQDNDYQTWDHTCA-UHFFFAOYSA-N -1 3 298.346 2.652 20 30 CFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccccc1Cl ZINC000915935839 624194875 /nfs/dbraw/zinc/19/48/75/624194875.db2.gz YITZSCLQDAINDF-UHFFFAOYSA-N -1 3 287.706 2.814 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cccc(F)c2F)c1[O-] ZINC000921261394 624831539 /nfs/dbraw/zinc/83/15/39/624831539.db2.gz NLFVPLCTDCIRND-UHFFFAOYSA-N -1 3 278.258 2.617 20 30 CFEDHM C=C1CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000830984665 624947228 /nfs/dbraw/zinc/94/72/28/624947228.db2.gz BKQDHKVFWHYMKK-UHFFFAOYSA-N -1 3 277.339 2.936 20 30 CFEDHM COc1c([O-])ccc(C=NN[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000834981752 625944724 /nfs/dbraw/zinc/94/47/24/625944724.db2.gz YYYGPZBLSTVMLK-SECBINFHSA-N -1 3 295.339 2.667 20 30 CFEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc([O-])cc1F ZINC000834999665 625948802 /nfs/dbraw/zinc/94/88/02/625948802.db2.gz GMRLIHCFWBMSQM-ZETCQYMHSA-N -1 3 264.222 2.796 20 30 CFEDHM O=C1CCCN1N=Cc1ccc2ccccc2c1[O-] ZINC000814891968 625960544 /nfs/dbraw/zinc/96/05/44/625960544.db2.gz YWXOJMFFYBHINW-UHFFFAOYSA-N -1 3 254.289 2.502 20 30 CFEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000921547048 625984241 /nfs/dbraw/zinc/98/42/41/625984241.db2.gz KQYAUNZSQBRBFJ-CYBMUJFWSA-N -1 3 278.739 2.858 20 30 CFEDHM C[C@H]1CC(=NN=c2cc[n-]n2C)c2ccsc2S1 ZINC000774413350 626481436 /nfs/dbraw/zinc/48/14/36/626481436.db2.gz OGMZSUJXFRSIDW-QMMMGPOBSA-N -1 3 278.406 2.604 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCCC2(C)C)c1[O-] ZINC000757525933 626554322 /nfs/dbraw/zinc/55/43/22/626554322.db2.gz JFVMDLMDZFHESX-UHPUNMKFSA-N -1 3 276.380 2.976 20 30 CFEDHM Cc1ccc(-c2cccc(C=NN3CC(=O)[N-]C3=O)c2)cc1 ZINC000757568115 626555545 /nfs/dbraw/zinc/55/55/45/626555545.db2.gz IAWWHVIYGUMRKB-UHFFFAOYSA-N -1 3 293.326 2.548 20 30 CFEDHM CC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccc(N)cc1 ZINC000757585814 626555944 /nfs/dbraw/zinc/55/59/44/626555944.db2.gz QCWCUBDUTZVERO-UHFFFAOYSA-N -1 3 293.330 2.754 20 30 CFEDHM NC(=O)[C@@H]1CCC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000764412818 627058716 /nfs/dbraw/zinc/05/87/16/627058716.db2.gz FHHOLURFAHQSGL-ULQYEZCCSA-N -1 3 280.755 2.509 20 30 CFEDHM CC(=NOCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000764845223 627101215 /nfs/dbraw/zinc/10/12/15/627101215.db2.gz RMNJGLNIKPSWGC-UHFFFAOYSA-N -1 3 251.179 2.834 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C2CCC3(CC3)CC2)c1[O-] 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C[C@@H]1CN(CC/N=C/c2cc(Cl)ccc2[O-])[C@@H](C)CO1 ZINC000849170434 633577893 /nfs/dbraw/zinc/57/78/93/633577893.db2.gz PAIYDRHWCLETAK-UFEKZKASSA-N -1 3 296.798 2.574 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3ccccc32)c1[O-] ZINC000849172758 633579602 /nfs/dbraw/zinc/57/96/02/633579602.db2.gz ZHMTVJWONMHHRG-OSSOMXAKSA-N -1 3 282.343 2.694 20 30 CFEDHM C#C[C@H](/N=C\c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000852998720 634871626 /nfs/dbraw/zinc/87/16/26/634871626.db2.gz QMSABFMKAZVUIX-XGHPXPSOSA-N -1 3 277.751 2.893 20 30 CFEDHM Cc1cc([O-])c(C=NN[C@H]2CCSC2)cc1Cl ZINC000853345484 634977606 /nfs/dbraw/zinc/97/76/06/634977606.db2.gz AOHYYKZLUZHQHI-JTQLQIEISA-N -1 3 270.785 2.783 20 30 CFEDHM CC(C)(C)CC(=O)[N-]OCCc1ccc(C#N)cc1 ZINC000853705739 635081041 /nfs/dbraw/zinc/08/10/41/635081041.db2.gz BRJZQOUKODUDHU-UHFFFAOYSA-N -1 3 260.337 2.585 20 30 CFEDHM CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000854649138 635355748 /nfs/dbraw/zinc/35/57/48/635355748.db2.gz QNNLIZSSAQCAJP-ZIAGYGMSSA-N -1 3 298.427 2.870 20 30 CFEDHM CCCCCCCC[C@@H](C)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000854649136 635355774 /nfs/dbraw/zinc/35/57/74/635355774.db2.gz QNNLIZSSAQCAJP-KGLIPLIRSA-N -1 3 298.427 2.870 20 30 CFEDHM C#CC[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000855006319 635439520 /nfs/dbraw/zinc/43/95/20/635439520.db2.gz CHCWTBUIMMUGEY-GFCCVEGCSA-N -1 3 289.400 2.990 20 30 CFEDHM C=C(C)CO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC000855027052 635445131 /nfs/dbraw/zinc/44/51/31/635445131.db2.gz XELQZIRAMOBFAZ-QMMMGPOBSA-N -1 3 252.141 2.584 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCC[C@H](O)c1ccccc1 ZINC000855026940 635445483 /nfs/dbraw/zinc/44/54/83/635445483.db2.gz UJDSGWFGFPPPEM-JSGCOSHPSA-N -1 3 263.337 2.513 20 30 CFEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(C)cc1 ZINC000856028335 635704607 /nfs/dbraw/zinc/70/46/07/635704607.db2.gz GPXNLKKJWHKZBV-UHFFFAOYSA-N -1 3 261.321 2.582 20 30 CFEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000856029623 635705668 /nfs/dbraw/zinc/70/56/68/635705668.db2.gz WTPGDAHFGFKLDF-UHFFFAOYSA-N -1 3 275.348 2.890 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000856031562 635706200 /nfs/dbraw/zinc/70/62/00/635706200.db2.gz UTNOPRTZERCZIK-LLVKDONJSA-N -1 3 251.301 2.943 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cn(CC)c2ccccc12 ZINC000856031000 635706428 /nfs/dbraw/zinc/70/64/28/635706428.db2.gz AJZAGLTWQITYJD-UHFFFAOYSA-N -1 3 272.348 2.828 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000856032769 635707863 /nfs/dbraw/zinc/70/78/63/635707863.db2.gz PWWQZVAJNPSCIS-LBPRGKRZSA-N -1 3 263.337 2.813 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC000856033080 635708132 /nfs/dbraw/zinc/70/81/32/635708132.db2.gz ZCLYENOSHVMVAO-ZDUSSCGKSA-N -1 3 259.349 2.806 20 30 CFEDHM C=CCCO[N-]C(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000856035064 635709755 /nfs/dbraw/zinc/70/97/55/635709755.db2.gz SDNIAXMIKADXCC-UHFFFAOYSA-N -1 3 287.363 2.756 20 30 CFEDHM C=CCCO[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000856035714 635710357 /nfs/dbraw/zinc/71/03/57/635710357.db2.gz HNERCXRCKVFQPB-CYBMUJFWSA-N -1 3 272.348 2.901 20 30 CFEDHM C=CCCO[N-]C(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000856035551 635710611 /nfs/dbraw/zinc/71/06/11/635710611.db2.gz CPLWSQVCHUGTJX-LBPRGKRZSA-N -1 3 294.782 2.790 20 30 CFEDHM CCN(C(=O)c1cc2sccc2c([O-])c1)[C@@H](C)C#N ZINC000856075883 635718176 /nfs/dbraw/zinc/71/81/76/635718176.db2.gz RONFXEJESAIGNZ-VIFPVBQESA-N -1 3 274.345 2.981 20 30 CFEDHM C#C[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857296744 635961951 /nfs/dbraw/zinc/96/19/51/635961951.db2.gz CWXRVZFYRDHJOL-JTQLQIEISA-N -1 3 297.276 2.896 20 30 CFEDHM C=CCCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000117881750 637038200 /nfs/dbraw/zinc/03/82/00/637038200.db2.gz SOEUYSZFXRMVMK-UHFFFAOYSA-N -1 3 297.782 2.987 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000862133371 637278640 /nfs/dbraw/zinc/27/86/40/637278640.db2.gz ZAGGYCQOCYJCKR-VGSLSFOHSA-N -1 3 277.751 2.848 20 30 CFEDHM C#CCN(CC)Cc1c([O-])cccc1Br ZINC000862233799 637293778 /nfs/dbraw/zinc/29/37/78/637293778.db2.gz UHCWLTMRGBURSG-UHFFFAOYSA-N -1 3 268.154 2.610 20 30 CFEDHM C#C[C@@H](C)N(C)Cc1c([O-])cccc1Br ZINC000862349195 637325878 /nfs/dbraw/zinc/32/58/78/637325878.db2.gz SGFCMCAXZFWLGS-SECBINFHSA-N -1 3 268.154 2.608 20 30 CFEDHM CC(C)CNN=Cc1c([O-])cccc1Br ZINC000863104472 637555879 /nfs/dbraw/zinc/55/58/79/637555879.db2.gz HOWLXXYEVVRIBV-UHFFFAOYSA-N -1 3 271.158 2.734 20 30 CFEDHM CCCON=Cc1c([O-])cccc1Br ZINC000863124124 637565461 /nfs/dbraw/zinc/56/54/61/637565461.db2.gz QZZZCPOQHSMWIR-UHFFFAOYSA-N -1 3 258.115 2.915 20 30 CFEDHM Cc1scc(C/N=C\c2c([O-])c(C)ncc2CO)c1C ZINC000864347274 637947797 /nfs/dbraw/zinc/94/77/97/637947797.db2.gz NPSGPHBISYGNFI-SOFYXZRVSA-N -1 3 290.388 2.885 20 30 CFEDHM C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1[O-] ZINC000866368107 638806573 /nfs/dbraw/zinc/80/65/73/638806573.db2.gz WNFZMFSPAJRKEY-UHIISALHSA-N -1 3 282.347 2.817 20 30 CFEDHM N#CC(=C([O-])c1cnn(CC2CCCC2)c1)c1ccccn1 ZINC000870136668 639527958 /nfs/dbraw/zinc/52/79/58/639527958.db2.gz QQNVHIRDZZMFMV-OAHLLOKOSA-N -1 3 294.358 2.958 20 30 CFEDHM CC1(C)Cc2ccc(C([O-])=C(C#N)c3ccncn3)cc2O1 ZINC000870286836 639581198 /nfs/dbraw/zinc/58/11/98/639581198.db2.gz DKZJVSZORKKXNC-ZDUSSCGKSA-N -1 3 293.326 2.680 20 30 CFEDHM CC(C)(CC(=O)[N-]Oc1cccc(C#N)c1)C1CC1 ZINC000870689986 639772292 /nfs/dbraw/zinc/77/22/92/639772292.db2.gz GLUNAZJVXHVWMN-UHFFFAOYSA-N -1 3 258.321 2.795 20 30 CFEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000193529390 650666222 /nfs/dbraw/zinc/66/62/22/650666222.db2.gz UEXLHHUQPCJUTG-NSHDSACASA-N -1 3 299.355 2.667 20 30 CFEDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1[O-] ZINC000872130414 641657548 /nfs/dbraw/zinc/65/75/48/641657548.db2.gz HMNIDAZDEPFWES-ZYHUDNBSSA-N -1 3 282.347 2.774 20 30 CFEDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCC[C@@H]2C#N)c1[O-] ZINC000879307682 644215298 /nfs/dbraw/zinc/21/52/98/644215298.db2.gz AUKPOOIIVMQJFP-IAQYHMDHSA-N -1 3 290.338 2.858 20 30 CFEDHM CC(C)CON=c1cc(C#N)c(Br)c[n-]1 ZINC000882144847 645218303 /nfs/dbraw/zinc/21/83/03/645218303.db2.gz KSFJSIGJWVZMIE-UHFFFAOYSA-N -1 3 270.130 2.715 20 30 CFEDHM COc1cc(C(=O)/C=C/c2cncs2)ccc1[O-] ZINC000129943864 645434054 /nfs/dbraw/zinc/43/40/54/645434054.db2.gz UXBWFYYPIUXABY-HWKANZROSA-N -1 3 261.302 2.753 20 30 CFEDHM N#C[C@H](OC(=O)c1cccc2nn[n-]c21)C1CCCCC1 ZINC000800205944 646188646 /nfs/dbraw/zinc/18/86/46/646188646.db2.gz STBLGEGSHOOVKA-ZDUSSCGKSA-N -1 3 284.319 2.587 20 30 CFEDHM N#C[C@H](OC(=O)c1cccc2[n-]nnc21)C1CCCCC1 ZINC000800205944 646188653 /nfs/dbraw/zinc/18/86/53/646188653.db2.gz STBLGEGSHOOVKA-ZDUSSCGKSA-N -1 3 284.319 2.587 20 30 CFEDHM N#C[C@H](OC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000800205944 646188658 /nfs/dbraw/zinc/18/86/58/646188658.db2.gz STBLGEGSHOOVKA-ZDUSSCGKSA-N -1 3 284.319 2.587 20 30 CFEDHM C[C@H](OC(=O)c1cccc2nn[n-]c21)c1cccc(C#N)c1 ZINC000800205860 646189305 /nfs/dbraw/zinc/18/93/05/646189305.db2.gz QKYSLCGVZAPWLZ-JTQLQIEISA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@H](OC(=O)c1cccc2[n-]nnc21)c1cccc(C#N)c1 ZINC000800205860 646189309 /nfs/dbraw/zinc/18/93/09/646189309.db2.gz QKYSLCGVZAPWLZ-JTQLQIEISA-N -1 3 292.298 2.748 20 30 CFEDHM C[C@H](OC(=O)c1cccc2n[n-]nc21)c1cccc(C#N)c1 ZINC000800205860 646189314 /nfs/dbraw/zinc/18/93/14/646189314.db2.gz QKYSLCGVZAPWLZ-JTQLQIEISA-N -1 3 292.298 2.748 20 30 CFEDHM C#CCC1(NC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000886657581 647092927 /nfs/dbraw/zinc/09/29/27/647092927.db2.gz VBYCZFPELHGSEL-UHFFFAOYSA-N -1 3 289.350 2.916 20 30 CFEDHM C=CCCOCCCCC(=O)NCc1c([O-])cccc1F ZINC000928709186 648946191 /nfs/dbraw/zinc/94/61/91/648946191.db2.gz XWDCDLZOKXIJPZ-UHFFFAOYSA-N -1 3 295.354 2.911 20 30 CFEDHM Cc1cc(Nc2cc(F)cc(F)c2[O-])cnc1C#N ZINC001210207109 770235964 /nfs/dbraw/zinc/23/59/64/770235964.db2.gz DCAVIGMQYGLEON-UHFFFAOYSA-N -1 3 261.231 2.989 20 30 CFEDHM N#Cc1cc2c(ccn2-c2cc([O-])cc(F)c2)c(N)c1 ZINC001206851796 770089529 /nfs/dbraw/zinc/08/95/29/770089529.db2.gz WAUYBJAQURUBOT-UHFFFAOYSA-N -1 3 267.263 2.929 20 30 CFEDHM N#Cc1ccc([O-])c(Nc2ccc(F)c(CO)c2)c1 ZINC001209879003 770153543 /nfs/dbraw/zinc/15/35/43/770153543.db2.gz RGSJYLFOQVNAQO-UHFFFAOYSA-N -1 3 258.252 2.639 20 30 CFEDHM N#Cc1ccc([O-])c(Nc2cnn(C(F)(F)F)c2)c1 ZINC001210361965 770268965 /nfs/dbraw/zinc/26/89/65/770268965.db2.gz IABVQZDEPICCLD-UHFFFAOYSA-N -1 3 268.198 2.680 20 30 CFEDHM N#Cc1cc(Nc2ccccc2[O-])cc([N+](=O)[O-])c1 ZINC001211330330 770484822 /nfs/dbraw/zinc/48/48/22/770484822.db2.gz RPVXDSBOGWCPFY-UHFFFAOYSA-N -1 3 255.233 2.916 20 30 CFEDHM N#Cc1ccc([O-])c(Nc2ccc3c(c2)NCC3)c1 ZINC001213154871 770771582 /nfs/dbraw/zinc/77/15/82/770771582.db2.gz LMBHAZIVIZPQMA-UHFFFAOYSA-N -1 3 251.289 2.975 20 30 CFEDHM COc1cc(/C=C\C(=O)c2ccnn2C)cc(Cl)c1[O-] ZINC000588595149 775248295 /nfs/dbraw/zinc/24/82/95/775248295.db2.gz RSRZPTXPHHDJJN-ARJAWSKDSA-N -1 3 292.722 2.684 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2nccs2)[n-]1 ZINC001225469880 775468596 /nfs/dbraw/zinc/46/85/96/775468596.db2.gz PFIJJKCWEKSWIW-MRVPVSSYSA-N -1 3 261.306 2.564 20 30 CFEDHM COc1ccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cn1 ZINC001225469835 775468622 /nfs/dbraw/zinc/46/86/22/775468622.db2.gz OSUFTGAPOHDIHD-SNVBAGLBSA-N -1 3 285.303 2.511 20 30 CFEDHM Cc1c(O[C@H](C)c2ccccc2C#N)nc[n-]c1=O ZINC001226075574 775690794 /nfs/dbraw/zinc/69/07/94/775690794.db2.gz IAXTVRPTCHLZNW-SNVBAGLBSA-N -1 3 255.277 2.502 20 30 CFEDHM CCOC(=O)[C@@H]1CCC[C@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226113781 775703780 /nfs/dbraw/zinc/70/37/80/775703780.db2.gz AFIXUWAOCHVGHA-RSCROXIHSA-N -1 3 277.320 2.605 20 30 CFEDHM C#C[C@@H](CCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598904 775886936 /nfs/dbraw/zinc/88/69/36/775886936.db2.gz HNMCPYMVXGRJBG-NSHDSACASA-N -1 3 258.273 2.679 20 30 CFEDHM C=CC[C@@H](Oc1[n-]c(=O)nc2cnncc21)c1ccccc1 ZINC001226692784 775923246 /nfs/dbraw/zinc/92/32/46/775923246.db2.gz QKMBQRYGFSCRRL-CQSZACIVSA-N -1 3 294.314 2.822 20 30 CFEDHM CCOC(=O)C[C@@H](CC#N)Oc1cccc([O-])c1Cl ZINC001226712556 775935359 /nfs/dbraw/zinc/93/53/59/775935359.db2.gz SXEGCDCWFACIPQ-SECBINFHSA-N -1 3 283.711 2.660 20 30 CFEDHM CC/C=C\CCOC(=O)[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351325 776182956 /nfs/dbraw/zinc/18/29/56/776182956.db2.gz UTFFSMARWQOHRQ-RXNFCKPNSA-N -1 3 289.331 2.931 20 30 CFEDHM COC(=O)C[C@@H]1CCC[C@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227350906 776183141 /nfs/dbraw/zinc/18/31/41/776183141.db2.gz QQOLVBGIBFHRNK-YPMHNXCESA-N -1 3 289.331 2.765 20 30 CFEDHM CC#C[C@@H](CC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227583103 776233600 /nfs/dbraw/zinc/23/36/00/776233600.db2.gz JFFVDTVPIAGMJB-SECBINFHSA-N -1 3 259.227 2.987 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227587452 776236817 /nfs/dbraw/zinc/23/68/17/776236817.db2.gz UDEJAMBQGXHCTK-VXNVDRBHSA-N -1 3 272.226 2.877 20 30 CFEDHM COC(=O)c1ccc([O-])c(O[C@@H](CC#N)c2ccccc2)n1 ZINC001227820404 776298709 /nfs/dbraw/zinc/29/87/09/776298709.db2.gz SZTMKHDYMFOBMI-AWEZNQCLSA-N -1 3 298.298 2.608 20 30 CFEDHM C=CC[C@H](CCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820285 776299355 /nfs/dbraw/zinc/29/93/55/776299355.db2.gz QIXYCLPKHVDPLP-SNVBAGLBSA-N -1 3 265.309 2.697 20 30 CFEDHM C=C[C@@H](Oc1nc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC001227824390 776301146 /nfs/dbraw/zinc/30/11/46/776301146.db2.gz GDYJXHJKJZLEBE-CQSZACIVSA-N -1 3 285.299 2.880 20 30 CFEDHM C#CC[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675539 776564057 /nfs/dbraw/zinc/56/40/57/776564057.db2.gz QKKWNCYIXCLOFN-JTQLQIEISA-N -1 3 273.292 2.960 20 30 CFEDHM C#C[C@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229186477 776747002 /nfs/dbraw/zinc/74/70/02/776747002.db2.gz KKGQZEHDEMKOQP-JTQLQIEISA-N -1 3 292.290 2.568 20 30 CFEDHM C#CC(C#C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229537578 776844077 /nfs/dbraw/zinc/84/40/77/776844077.db2.gz MPKNOSFEYDYIGQ-UHFFFAOYSA-N -1 3 290.318 2.945 20 30 CFEDHM Cc1nc(O[C@@H](C#N)c2cccc(F)c2)c(C)c(=O)[n-]1 ZINC001229686596 776873581 /nfs/dbraw/zinc/87/35/81/776873581.db2.gz BTQUZHOEPFOSNB-LBPRGKRZSA-N -1 3 273.267 2.582 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229953878 776923099 /nfs/dbraw/zinc/92/30/99/776923099.db2.gz FNXNZQJUHJXZQN-LBPRGKRZSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229953878 776923103 /nfs/dbraw/zinc/92/31/03/776923103.db2.gz FNXNZQJUHJXZQN-LBPRGKRZSA-N -1 3 270.336 2.828 20 30 CFEDHM C=C[C@H](CCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229951042 776923132 /nfs/dbraw/zinc/92/31/32/776923132.db2.gz OYZARAYDEQPGSR-LLVKDONJSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@H](CCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229951042 776923135 /nfs/dbraw/zinc/92/31/35/776923135.db2.gz OYZARAYDEQPGSR-LLVKDONJSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@H](CS)Oc1nc(=O)[n-]cc1-c1ccccc1 ZINC001230971305 777106068 /nfs/dbraw/zinc/10/60/68/777106068.db2.gz GBIPNTVNYCIPRE-SECBINFHSA-N -1 3 262.334 2.546 20 30 CFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C#N ZINC001231077153 777134467 /nfs/dbraw/zinc/13/44/67/777134467.db2.gz RPGAHBDSEXISRG-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C=C[C@@H](CCCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076346 777134499 /nfs/dbraw/zinc/13/44/99/777134499.db2.gz JTHOYIUZIMQCTA-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC001231122257 777148986 /nfs/dbraw/zinc/14/89/86/777148986.db2.gz RXINEFKHTLPYJW-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC001231122257 777148989 /nfs/dbraw/zinc/14/89/89/777148989.db2.gz RXINEFKHTLPYJW-NSHDSACASA-N -1 3 291.314 2.878 20 30 CFEDHM C=C(C)CN(CC)Cc1ccccc1OCC(=O)[O-] ZINC001231797781 777339959 /nfs/dbraw/zinc/33/99/59/777339959.db2.gz XEWPAGZZYHKPDH-UHFFFAOYSA-N -1 3 263.337 2.548 20 30 CFEDHM Cc1cc([O-])c(CN2CC[C@@H](C#N)C2)cc1Cl ZINC001231870436 777359005 /nfs/dbraw/zinc/35/90/05/777359005.db2.gz ALPRLJKVRZYZRQ-JTQLQIEISA-N -1 3 250.729 2.700 20 30 CFEDHM Cc1ccccc1[C@H](C)Oc1nccc(/C=N/[O-])n1 ZINC001226256546 777488292 /nfs/dbraw/zinc/48/82/92/777488292.db2.gz SRTVRYMRJSNDBA-UJFYRASASA-N -1 3 257.293 2.733 20 30 CFEDHM COc1ccc2c(c1)CCN(Cc1cc(C#N)ccc1[O-])C2 ZINC001232674079 777638853 /nfs/dbraw/zinc/63/88/53/777638853.db2.gz RJWPPUGQUUWXAW-UHFFFAOYSA-N -1 3 294.354 2.831 20 30 CFEDHM C[C@@]1(F)CCN(Cc2ccc(C#N)cc2[O-])C[C@@H]1F ZINC001233383226 777925493 /nfs/dbraw/zinc/92/54/93/777925493.db2.gz AYJNKCCDNQMWMR-UONOGXRCSA-N -1 3 266.291 2.536 20 30 CFEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1c(F)ccc([O-])c1F ZINC001233396162 777934490 /nfs/dbraw/zinc/93/44/90/777934490.db2.gz MWYCMEVGBNMEIC-RTCCRHLQSA-N -1 3 278.302 2.937 20 30 CFEDHM CCC[C@@H](CC(=O)OC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233804471 778081743 /nfs/dbraw/zinc/08/17/43/778081743.db2.gz ZTVBSHLZYWNSGF-SEJMYLSOSA-N -1 3 295.335 2.614 20 30 CFEDHM N#CC[C@@H](Oc1cccc([O-])c1C(N)=O)c1ccccc1 ZINC001234149892 778177045 /nfs/dbraw/zinc/17/70/45/778177045.db2.gz RTYLBWAKMQCCHZ-CYBMUJFWSA-N -1 3 282.299 2.525 20 30 CFEDHM N#C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234447277 778227889 /nfs/dbraw/zinc/22/78/89/778227889.db2.gz MGDXVWPIJWTODC-ZDUSSCGKSA-N -1 3 265.272 2.912 20 30 CFEDHM COc1ccc2ccc([O-])c(CN3CC(C#N)C3)c2c1 ZINC001234518079 778241303 /nfs/dbraw/zinc/24/13/03/778241303.db2.gz CCWNYFDFNBCOJM-UHFFFAOYSA-N -1 3 268.316 2.509 20 30 CFEDHM C[C@H](CS)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692386 778289840 /nfs/dbraw/zinc/28/98/40/778289840.db2.gz PMXFAYSHCMXUKC-SECBINFHSA-N -1 3 262.334 2.546 20 30 CFEDHM COC(=O)c1cc(C#N)cnc1-c1cc([O-])cc(Cl)c1 ZINC001235898756 778598457 /nfs/dbraw/zinc/59/84/57/778598457.db2.gz CNVSJURTHIDZRF-UHFFFAOYSA-N -1 3 288.690 2.766 20 30 CFEDHM CC(=NNC1CC1)c1ccc(Br)cc1[O-] ZINC000758125746 778627376 /nfs/dbraw/zinc/62/73/76/778627376.db2.gz AECBWFBHSVGDOY-UHFFFAOYSA-N -1 3 269.142 2.631 20 30 CFEDHM CCN(CCC#N)Cc1ccc(Br)c([O-])c1 ZINC001236683500 778909432 /nfs/dbraw/zinc/90/94/32/778909432.db2.gz ANXGBTLDJXSWKO-UHFFFAOYSA-N -1 3 283.169 2.890 20 30 CFEDHM C#CC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232937721 778996760 /nfs/dbraw/zinc/99/67/60/778996760.db2.gz SCLGMCTWAULMPY-UHFFFAOYSA-N -1 3 251.276 2.516 20 30 CFEDHM N#Cc1c(F)cc(-c2ccc(Cc3nnn[n-]3)cc2)cc1F ZINC001239930719 779867701 /nfs/dbraw/zinc/86/77/01/779867701.db2.gz IEKVSKQFNFABLQ-UHFFFAOYSA-N -1 3 297.268 2.607 20 30 CFEDHM N#Cc1c(F)cc(-c2ccc(Cc3nn[n-]n3)cc2)cc1F ZINC001239930719 779867707 /nfs/dbraw/zinc/86/77/07/779867707.db2.gz IEKVSKQFNFABLQ-UHFFFAOYSA-N -1 3 297.268 2.607 20 30 CFEDHM Cc1ccc(-c2ccc(C#N)c(F)c2)cc1-c1nnn[n-]1 ZINC001240162237 779981272 /nfs/dbraw/zinc/98/12/72/779981272.db2.gz HGXKJMBSYHUSNE-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(-c2ccc(C#N)c(F)c2)cc1-c1nn[n-]n1 ZINC001240162237 779981277 /nfs/dbraw/zinc/98/12/77/779981277.db2.gz HGXKJMBSYHUSNE-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CCc1nnc(-c2ccc([O-])c(OC)c2)c(C#N)c1CC ZINC001240613651 780290572 /nfs/dbraw/zinc/29/05/72/780290572.db2.gz DQNRVNPUCLUJPV-UHFFFAOYSA-N -1 3 283.331 2.854 20 30 CFEDHM COc1ccc(-c2ccc([O-])c(F)c2)nc1CC#N ZINC001240786208 780440172 /nfs/dbraw/zinc/44/01/72/780440172.db2.gz PXIYPSQYLLAFKU-UHFFFAOYSA-N -1 3 258.252 2.668 20 30 CFEDHM COC(OC)c1c(C#N)ccnc1-c1ccc(C)cc1[O-] ZINC001241036250 780607090 /nfs/dbraw/zinc/60/70/90/780607090.db2.gz RJKQDJPUINSXBP-UHFFFAOYSA-N -1 3 284.315 2.926 20 30 CFEDHM C/C(=N\C#N)N(C)Cc1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241255780 780737326 /nfs/dbraw/zinc/73/73/26/780737326.db2.gz DESWNQJZYWRRIK-RGVLZGJSSA-N -1 3 298.321 2.925 20 30 CFEDHM COc1cc(C#N)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001241407978 780854887 /nfs/dbraw/zinc/85/48/87/780854887.db2.gz AMIUCSHKDWEBHE-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cc(C#N)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001241407978 780854890 /nfs/dbraw/zinc/85/48/90/780854890.db2.gz AMIUCSHKDWEBHE-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM Cc1cc(CC#N)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445542 780896663 /nfs/dbraw/zinc/89/66/63/780896663.db2.gz RKBKXTIHFRPXBJ-UHFFFAOYSA-N -1 3 275.315 2.908 20 30 CFEDHM Cc1cc(CC#N)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445542 780896669 /nfs/dbraw/zinc/89/66/69/780896669.db2.gz RKBKXTIHFRPXBJ-UHFFFAOYSA-N -1 3 275.315 2.908 20 30 CFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C ZINC000702229606 780901271 /nfs/dbraw/zinc/90/12/71/780901271.db2.gz VOEUVCXYYZOWFW-MRVPVSSYSA-N -1 3 291.825 2.728 20 30 CFEDHM N#Cc1cc(F)cc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241658589 781051226 /nfs/dbraw/zinc/05/12/26/781051226.db2.gz RJXVCKWFAZEDIJ-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1cc(F)cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241658589 781051234 /nfs/dbraw/zinc/05/12/34/781051234.db2.gz RJXVCKWFAZEDIJ-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM C#Cc1ccc(-c2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC001242294265 781374590 /nfs/dbraw/zinc/37/45/90/781374590.db2.gz AOZOZRRTODSGFU-UHFFFAOYSA-N -1 3 276.299 2.524 20 30 CFEDHM C#Cc1ccc(-c2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC001242294265 781374602 /nfs/dbraw/zinc/37/46/02/781374602.db2.gz AOZOZRRTODSGFU-UHFFFAOYSA-N -1 3 276.299 2.524 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(Cc3nnn[n-]3)cc2)C1 ZINC001242317604 781394830 /nfs/dbraw/zinc/39/48/30/781394830.db2.gz ROUXVCCOOQKGQO-UHFFFAOYSA-N -1 3 282.347 2.563 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(Cc3nn[n-]n3)cc2)C1 ZINC001242317604 781394839 /nfs/dbraw/zinc/39/48/39/781394839.db2.gz ROUXVCCOOQKGQO-UHFFFAOYSA-N -1 3 282.347 2.563 20 30 CFEDHM Cn1c2ccc(-c3ccc([O-])c(C#N)c3)cc2ccc1=O ZINC001242565104 781603524 /nfs/dbraw/zinc/60/35/24/781603524.db2.gz LRYIEBKOIDDYNI-UHFFFAOYSA-N -1 3 276.295 2.783 20 30 CFEDHM O=c1[nH]cc(-c2ccc3c(c2)CCC3=N[O-])cc1F ZINC001242617995 781647482 /nfs/dbraw/zinc/64/74/82/781647482.db2.gz JFKGGCCUSHYFGX-LGMDPLHJSA-N -1 3 258.252 2.718 20 30 CFEDHM CC#CC[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001119550821 781826742 /nfs/dbraw/zinc/82/67/42/781826742.db2.gz NWZRDMFXXVJDAI-LBPRGKRZSA-N -1 3 286.158 2.950 20 30 CFEDHM CC(C)CC1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000595369136 349610544 /nfs/dbraw/zinc/61/05/44/349610544.db2.gz OAWXVMOIRJHIPD-UHFFFAOYSA-N -1 3 296.367 2.554 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000595400011 349617384 /nfs/dbraw/zinc/61/73/84/349617384.db2.gz SZBQPRCEBMQYBQ-UHFFFAOYSA-N -1 3 284.406 2.643 20 30 CFEDHM Cc1csc([N-]C(=O)c2cnc(C)s2)c1C#N ZINC000335142699 282149757 /nfs/dbraw/zinc/14/97/57/282149757.db2.gz ZIFIUNLEZCEFNC-UHFFFAOYSA-N -1 3 263.347 2.945 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000125701014 187196956 /nfs/dbraw/zinc/19/69/56/187196956.db2.gz VJJMJDGUEZPILG-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2ncncc2Cl)s1 ZINC000175638330 529509771 /nfs/dbraw/zinc/50/97/71/529509771.db2.gz WTGVYXOWOBYXQI-UHFFFAOYSA-N -1 3 292.751 2.878 20 30 CFEDHM CCC(C)(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126701104 187256772 /nfs/dbraw/zinc/25/67/72/187256772.db2.gz ZAFTYDPLOILBHB-UHFFFAOYSA-N -1 3 286.784 2.679 20 30 CFEDHM CC(C)[C@@H]1OCCC[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596153030 349810126 /nfs/dbraw/zinc/81/01/26/349810126.db2.gz WIBIWVQQTNZCGF-KOLCDFICSA-N -1 3 299.827 2.953 20 30 CFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(OC)cc1[O-])OCC ZINC000442704432 539378874 /nfs/dbraw/zinc/37/88/74/539378874.db2.gz KDKIPCDJWUVJEU-AWEZNQCLSA-N -1 3 279.336 2.711 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)CCC2CC2)cc1Cl ZINC000273937631 192370340 /nfs/dbraw/zinc/37/03/40/192370340.db2.gz JLGZTFVUWHYPOG-UHFFFAOYSA-N -1 3 284.768 2.753 20 30 CFEDHM COC(=O)C[C@@H](C)/N=C/c1c([O-])ccc2ccccc21 ZINC000016936775 346239348 /nfs/dbraw/zinc/23/93/48/346239348.db2.gz LNWMGGRXTVSCRS-JDAJCMJVSA-N -1 3 271.316 2.916 20 30 CFEDHM Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1[O-] ZINC000061954604 346685959 /nfs/dbraw/zinc/68/59/59/346685959.db2.gz SWLMMWYLBHPCFU-UHFFFAOYSA-N -1 3 266.300 2.849 20 30 CFEDHM C=CCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000132447352 347884908 /nfs/dbraw/zinc/88/49/08/347884908.db2.gz ZLCKFOMZWRQMQG-UHFFFAOYSA-N -1 3 259.349 2.863 20 30 CFEDHM O=C(N[O-])c1cnc(-c2ccc(Cl)s2)s1 ZINC000671997543 539586859 /nfs/dbraw/zinc/58/68/59/539586859.db2.gz FXBKQHSXIBVDBC-UHFFFAOYSA-N -1 3 260.727 2.644 20 30 CFEDHM O=C(N[O-])c1nn(-c2ccccc2Cl)c2c1CCCC2 ZINC000671997864 539596077 /nfs/dbraw/zinc/59/60/77/539596077.db2.gz QDHDSSJEYJAVFU-UHFFFAOYSA-N -1 3 291.738 2.524 20 30 CFEDHM N#C[C@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281414593 348342484 /nfs/dbraw/zinc/34/24/84/348342484.db2.gz CVGBWKMMXUOXPU-ZDUSSCGKSA-N -1 3 298.367 2.627 20 30 CFEDHM N#CCCCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000589696914 348851995 /nfs/dbraw/zinc/85/19/95/348851995.db2.gz UBVDREKWAGXHDC-UHFFFAOYSA-N -1 3 288.738 2.784 20 30 CFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1csc(=O)[n-]1 ZINC000591322920 349009613 /nfs/dbraw/zinc/00/96/13/349009613.db2.gz QUGQSPJYWKVSBN-LBPRGKRZSA-N -1 3 299.355 2.528 20 30 CFEDHM CC[C@H](C#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000593410338 349263143 /nfs/dbraw/zinc/26/31/43/349263143.db2.gz QDIMWWBGVVQQMR-SSDOTTSWSA-N -1 3 283.125 2.643 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCC2(C#N)CCCC2)c1 ZINC000593779374 349325030 /nfs/dbraw/zinc/32/50/30/349325030.db2.gz IOAANHPZEBOHJH-UHFFFAOYSA-N -1 3 258.321 2.514 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1cc(SC)ccc1[O-] ZINC000597509283 350106781 /nfs/dbraw/zinc/10/67/81/350106781.db2.gz XKLZLDYLVYVQJD-VIFPVBQESA-N -1 3 264.350 2.536 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@@]2(C#N)CC2(C)C)c1 ZINC000597670644 350123064 /nfs/dbraw/zinc/12/30/64/350123064.db2.gz BEVCMTZDEVIJOT-CQSZACIVSA-N -1 3 276.361 2.536 20 30 CFEDHM Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c([O-])c1C ZINC000597906898 350154447 /nfs/dbraw/zinc/15/44/47/350154447.db2.gz SQGCELZEPITHFG-ZDUSSCGKSA-N -1 3 272.348 2.775 20 30 CFEDHM N#CCC1CN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000598025777 350178242 /nfs/dbraw/zinc/17/82/42/350178242.db2.gz OEDUYAXBWORNCL-UHFFFAOYSA-N -1 3 294.354 2.850 20 30 CFEDHM C[C@@H](C#N)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000598138714 350208801 /nfs/dbraw/zinc/20/88/01/350208801.db2.gz ULWBEBWLJRMMAG-NSHDSACASA-N -1 3 290.338 2.757 20 30 CFEDHM C=CC[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000599528738 350451482 /nfs/dbraw/zinc/45/14/82/350451482.db2.gz GRMPXWKOJQMCPA-LLVKDONJSA-N -1 3 262.309 2.698 20 30 CFEDHM C=CC[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000599528739 350451621 /nfs/dbraw/zinc/45/16/21/350451621.db2.gz GRMPXWKOJQMCPA-NSHDSACASA-N -1 3 262.309 2.698 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N(CC#N)C1CCCC1 ZINC000599538240 350453084 /nfs/dbraw/zinc/45/30/84/350453084.db2.gz JYIAIHXPPQOPGE-UHFFFAOYSA-N -1 3 258.321 2.609 20 30 CFEDHM CC(C)c1cnc(S(=O)(=O)CCCC(C)(C)C#N)[n-]1 ZINC000600891999 350624156 /nfs/dbraw/zinc/62/41/56/350624156.db2.gz ABUXHLZRZLSIJU-UHFFFAOYSA-N -1 3 283.397 2.637 20 30 CFEDHM CC(C)c1c[n-]c(S(=O)(=O)CCCC(C)(C)C#N)n1 ZINC000600891999 350624161 /nfs/dbraw/zinc/62/41/61/350624161.db2.gz ABUXHLZRZLSIJU-UHFFFAOYSA-N -1 3 283.397 2.637 20 30 CFEDHM CCc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c([O-])c1 ZINC000601820079 350785143 /nfs/dbraw/zinc/78/51/43/350785143.db2.gz MUYCSUDKYCCTOZ-OCCSQVGLSA-N -1 3 272.348 2.719 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)CC(C)C)c1 ZINC000611280000 351663557 /nfs/dbraw/zinc/66/35/57/351663557.db2.gz VHNGGWQTZAZZNM-GFCCVEGCSA-N -1 3 260.337 2.623 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291673767 198059429 /nfs/dbraw/zinc/05/94/29/198059429.db2.gz KRSUJRQLKMVTBH-UHFFFAOYSA-N -1 3 285.312 2.621 20 30 CFEDHM CC[C@](C)(C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000615742160 352237753 /nfs/dbraw/zinc/23/77/53/352237753.db2.gz GCAUWTRVYGLBJA-OAHLLOKOSA-N -1 3 278.327 2.662 20 30 CFEDHM C=CC(C)(C)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000616022117 352274513 /nfs/dbraw/zinc/27/45/13/352274513.db2.gz CQOXISFILDHLEY-UHFFFAOYSA-N -1 3 270.332 2.769 20 30 CFEDHM C=CCOCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000616940844 352445449 /nfs/dbraw/zinc/44/54/49/352445449.db2.gz HMSAECWSTFSAGX-UHFFFAOYSA-N -1 3 269.728 2.967 20 30 CFEDHM Cc1cccc(NC(=O)c2ccc(F)c(C#N)c2)c1[O-] ZINC000618935286 352914283 /nfs/dbraw/zinc/91/42/83/352914283.db2.gz KAZULQREYVVLFP-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM CC(C)C([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)C ZINC000619548228 353035299 /nfs/dbraw/zinc/03/52/99/353035299.db2.gz OJVAGOFTSGJMKE-UHFFFAOYSA-N -1 3 286.422 2.579 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000620313977 353150388 /nfs/dbraw/zinc/15/03/88/353150388.db2.gz MLWZNFXRRHXDHU-BETUJISGSA-N -1 3 294.354 2.851 20 30 CFEDHM CC(C)(C)n1cc(C#N)cc1NC([O-])=NOCC1CC1 ZINC000292351861 198254899 /nfs/dbraw/zinc/25/48/99/198254899.db2.gz QBINAYUUYJIJRS-UHFFFAOYSA-N -1 3 276.340 2.578 20 30 CFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)[N-]OCC1CC1 ZINC000292351861 198254900 /nfs/dbraw/zinc/25/49/00/198254900.db2.gz QBINAYUUYJIJRS-UHFFFAOYSA-N -1 3 276.340 2.578 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000620856929 353241310 /nfs/dbraw/zinc/24/13/10/353241310.db2.gz GINOWQQOPLNDLE-UHFFFAOYSA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000620856929 353241313 /nfs/dbraw/zinc/24/13/13/353241313.db2.gz GINOWQQOPLNDLE-UHFFFAOYSA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000620856929 353241318 /nfs/dbraw/zinc/24/13/18/353241318.db2.gz GINOWQQOPLNDLE-UHFFFAOYSA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1c(C)cccc1[O-] ZINC000624859792 353955409 /nfs/dbraw/zinc/95/54/09/353955409.db2.gz IPCOVWUXIZXGSB-UHFFFAOYSA-N -1 3 273.254 2.891 20 30 CFEDHM C=CCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000626710489 354309595 /nfs/dbraw/zinc/30/95/95/354309595.db2.gz HKMYLDIUHQGPCR-UHFFFAOYSA-N -1 3 284.153 2.851 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(C)cc1F ZINC000630459768 355088487 /nfs/dbraw/zinc/08/84/87/355088487.db2.gz UVELLMWUJIQRRS-LBPRGKRZSA-N -1 3 251.301 2.643 20 30 CFEDHM N#Cc1c([N-]C(=O)c2ccsn2)sc2c1CCC2 ZINC000297914314 283082605 /nfs/dbraw/zinc/08/26/05/283082605.db2.gz RENDXARMZJUQOL-UHFFFAOYSA-N -1 3 275.358 2.817 20 30 CFEDHM C=CCCOCC(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000673084982 540515385 /nfs/dbraw/zinc/51/53/85/540515385.db2.gz BNDYXIGUMIZZEI-UHFFFAOYSA-N -1 3 292.257 2.787 20 30 CFEDHM C=CCN(Cc1ccccc1)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000298333609 200398050 /nfs/dbraw/zinc/39/80/50/200398050.db2.gz YULHOCYKSXFSDS-CQSZACIVSA-N -1 3 299.374 2.998 20 30 CFEDHM O=C(C1CC1)N1CC=C(c2ccc(/C=N/[O-])c(F)c2)CC1 ZINC001243028539 781939988 /nfs/dbraw/zinc/93/99/88/781939988.db2.gz HNTGQGNFXWGSEI-VCHYOVAHSA-N -1 3 288.322 2.660 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC23CCCC3)s1 ZINC000435419745 240311918 /nfs/dbraw/zinc/31/19/18/240311918.db2.gz ZAAOWUASOJBHNL-NSHDSACASA-N -1 3 296.417 2.621 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000436121097 240392020 /nfs/dbraw/zinc/39/20/20/240392020.db2.gz IDMMAPHQQFAYJC-UHFFFAOYSA-N -1 3 284.247 2.501 20 30 CFEDHM C=CCCN(C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000276510179 193362205 /nfs/dbraw/zinc/36/22/05/193362205.db2.gz XLMZSBJNZWVCMU-UHFFFAOYSA-N -1 3 259.305 2.507 20 30 CFEDHM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1ccccn1 ZINC000676771818 541792137 /nfs/dbraw/zinc/79/21/37/541792137.db2.gz QXATXWDXWNCRFN-ZDUSSCGKSA-N -1 3 277.327 2.845 20 30 CFEDHM Cc1noc(C(C)C)c1C([O-])=C(C#N)c1ccccn1 ZINC000041482074 372844019 /nfs/dbraw/zinc/84/40/19/372844019.db2.gz LMFFGASGHMEGCT-LLVKDONJSA-N -1 3 269.304 2.992 20 30 CFEDHM N#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000054138307 373500274 /nfs/dbraw/zinc/50/02/74/373500274.db2.gz WUQVXQJZBCZBSP-UHFFFAOYSA-N -1 3 293.175 2.575 20 30 CFEDHM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000073969879 374397735 /nfs/dbraw/zinc/39/77/35/374397735.db2.gz SFLCOJDTMJFDLD-GFCCVEGCSA-N -1 3 282.347 2.911 20 30 CFEDHM N#Cc1ccc(/C=C\C(=O)Nc2ccccc2[O-])cc1 ZINC000492247025 246230452 /nfs/dbraw/zinc/23/04/52/246230452.db2.gz HRLNUGXHARSPHS-KTKRTIGZSA-N -1 3 264.284 2.916 20 30 CFEDHM N#Cc1cccc(CNCc2ccc([O-])c(F)c2)c1 ZINC000120459141 376620895 /nfs/dbraw/zinc/62/08/95/376620895.db2.gz FIDSNDSJIVZFNZ-UHFFFAOYSA-N -1 3 256.280 2.693 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000529513745 383715112 /nfs/dbraw/zinc/71/51/12/383715112.db2.gz TXRKXYWILHQJMK-WDGYITBISA-N -1 3 277.751 2.848 20 30 CFEDHM CCCCn1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000121946207 376919653 /nfs/dbraw/zinc/91/96/53/376919653.db2.gz QQZJJOXAVVLVID-ZDUSSCGKSA-N -1 3 282.347 2.877 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000129422537 377425155 /nfs/dbraw/zinc/42/51/55/377425155.db2.gz MKIHVAGINNIYGN-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000129422537 377425163 /nfs/dbraw/zinc/42/51/63/377425163.db2.gz MKIHVAGINNIYGN-UHFFFAOYSA-N -1 3 283.335 2.574 20 30 CFEDHM Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000131922836 377778353 /nfs/dbraw/zinc/77/83/53/377778353.db2.gz RWVGWUKUMJYRJN-CYBMUJFWSA-N -1 3 290.326 2.767 20 30 CFEDHM CCS[C@@H]1CCC[C@H](NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000328795965 378425145 /nfs/dbraw/zinc/42/51/45/378425145.db2.gz CUNRVAWOEFXIIK-AEJSXWLSSA-N -1 3 299.396 2.650 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCSC1 ZINC000329847667 378504937 /nfs/dbraw/zinc/50/49/37/378504937.db2.gz PIIHIQSOKCNNBR-YFKPBYRVSA-N -1 3 280.275 2.555 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCSC1 ZINC000329847667 378504941 /nfs/dbraw/zinc/50/49/41/378504941.db2.gz PIIHIQSOKCNNBR-YFKPBYRVSA-N -1 3 280.275 2.555 20 30 CFEDHM C[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)[C@@H]1C ZINC000329902221 378511893 /nfs/dbraw/zinc/51/18/93/378511893.db2.gz HNFJSVACXSKWOH-HLTSFMKQSA-N -1 3 254.355 2.978 20 30 CFEDHM CC(C)C[C@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000330389734 378543363 /nfs/dbraw/zinc/54/33/63/378543363.db2.gz YFSFQWZBJSFGMN-QMMMGPOBSA-N -1 3 264.304 2.836 20 30 CFEDHM CC(C)C[C@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000330389734 378543368 /nfs/dbraw/zinc/54/33/68/378543368.db2.gz YFSFQWZBJSFGMN-QMMMGPOBSA-N -1 3 264.304 2.836 20 30 CFEDHM CC(C)C[C@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000330389734 378543375 /nfs/dbraw/zinc/54/33/75/378543375.db2.gz YFSFQWZBJSFGMN-QMMMGPOBSA-N -1 3 264.304 2.836 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000330604509 378589496 /nfs/dbraw/zinc/58/94/96/378589496.db2.gz GVTVRXWMLFBBCT-QMTHXVAHSA-N -1 3 263.337 2.827 20 30 CFEDHM N#Cc1cnccc1[N-]C(=O)c1ccc(Br)o1 ZINC000334484328 379380113 /nfs/dbraw/zinc/38/01/13/379380113.db2.gz ZRDJRIMINHFYJV-UHFFFAOYSA-N -1 3 292.092 2.561 20 30 CFEDHM N#C[C@H]1CC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000335562774 379517450 /nfs/dbraw/zinc/51/74/50/379517450.db2.gz VICUHWDIRYZVOL-GXSJLCMTSA-N -1 3 250.729 2.827 20 30 CFEDHM Cc1ccc(C(=O)N2CCc3ccc(C#N)cc32)cc1[O-] ZINC000336631025 380577472 /nfs/dbraw/zinc/57/74/72/380577472.db2.gz HIYIEVSTEYHRKW-UHFFFAOYSA-N -1 3 278.311 2.775 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000287612575 380884229 /nfs/dbraw/zinc/88/42/29/380884229.db2.gz ZTZUUYVTUVNPRJ-MRVPVSSYSA-N -1 3 292.763 2.507 20 30 CFEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000408413709 380924367 /nfs/dbraw/zinc/92/43/67/380924367.db2.gz IBAKQOAFKOZFQI-SWLSCSKDSA-N -1 3 284.359 2.693 20 30 CFEDHM CCOc1cc(C([O-])=C(C#N)c2ccncn2)ccc1C ZINC000354458359 381284299 /nfs/dbraw/zinc/28/42/99/381284299.db2.gz DEBJFGOVDURYKG-CYBMUJFWSA-N -1 3 281.315 2.674 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)oc2c1C(=O)CCC2 ZINC000049458625 412944883 /nfs/dbraw/zinc/94/48/83/412944883.db2.gz QOUVCJNYCSTURL-NSHDSACASA-N -1 3 294.310 2.992 20 30 CFEDHM Cc1nsc([N-]C(=O)c2cc(C(C)(C)C)on2)c1C#N ZINC000298571890 381677135 /nfs/dbraw/zinc/67/71/35/381677135.db2.gz HLMIMZLTLQDPDA-UHFFFAOYSA-N -1 3 290.348 2.861 20 30 CFEDHM C=CCOc1cccc(CNCc2ncccc2[O-])c1 ZINC000355296965 381734428 /nfs/dbraw/zinc/73/44/28/381734428.db2.gz TYKOFIJZBVMKOI-UHFFFAOYSA-N -1 3 270.332 2.642 20 30 CFEDHM N#CCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000355593933 381785834 /nfs/dbraw/zinc/78/58/34/381785834.db2.gz VULRNRNMSLGMNA-UHFFFAOYSA-N -1 3 254.289 2.579 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000291859142 381780802 /nfs/dbraw/zinc/78/08/02/381780802.db2.gz JQQULXRDMRSQLQ-UHFFFAOYSA-N -1 3 285.413 2.706 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000186161379 381839302 /nfs/dbraw/zinc/83/93/02/381839302.db2.gz VHDJALXKHQAJIA-SECBINFHSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000186161379 381839304 /nfs/dbraw/zinc/83/93/04/381839304.db2.gz VHDJALXKHQAJIA-SECBINFHSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000186161379 381839309 /nfs/dbraw/zinc/83/93/09/381839309.db2.gz VHDJALXKHQAJIA-SECBINFHSA-N -1 3 260.297 2.606 20 30 CFEDHM N#CC(=C([O-])c1ccnn1-c1ccccc1)c1ccccn1 ZINC000361664153 381854803 /nfs/dbraw/zinc/85/48/03/381854803.db2.gz HWOTYNHNODRVBK-CQSZACIVSA-N -1 3 288.310 2.757 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(OC)ccc1[O-] ZINC000299316471 381894823 /nfs/dbraw/zinc/89/48/23/381894823.db2.gz VFIVAEKOOXDEEF-UHFFFAOYSA-N -1 3 289.253 2.591 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc([O-])c(CC)c1 ZINC000293024771 381954516 /nfs/dbraw/zinc/95/45/16/381954516.db2.gz VAIOIIXMBJDLAG-HOCLYGCPSA-N -1 3 289.375 2.666 20 30 CFEDHM Cn1ccc(C([O-])=C(C#N)c2ccncn2)c1C1CCC1 ZINC000345993494 382327284 /nfs/dbraw/zinc/32/72/84/382327284.db2.gz NEVHARFQRVICKC-CYBMUJFWSA-N -1 3 280.331 2.573 20 30 CFEDHM CC#CCCCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000345272377 382294761 /nfs/dbraw/zinc/29/47/61/382294761.db2.gz MWTOPRVSLLGHFT-UHFFFAOYSA-N -1 3 267.332 2.631 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000352984363 382486339 /nfs/dbraw/zinc/48/63/39/382486339.db2.gz DAEPMNFTZNEQKT-SSDOTTSWSA-N -1 3 265.787 2.563 20 30 CFEDHM C=CCOc1ccc(CNCc2nc(C)ccc2[O-])cc1 ZINC000352958045 382486452 /nfs/dbraw/zinc/48/64/52/382486452.db2.gz XUMFBYOQUUPHCT-UHFFFAOYSA-N -1 3 284.359 2.950 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000353166385 382507289 /nfs/dbraw/zinc/50/72/89/382507289.db2.gz JLYMKPVOLVBBJI-NSHDSACASA-N -1 3 271.357 2.767 20 30 CFEDHM C=C(C)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000192708160 382711398 /nfs/dbraw/zinc/71/13/98/382711398.db2.gz ALNMATYSEBFKKC-UHFFFAOYSA-N -1 3 266.366 2.732 20 30 CFEDHM C=CCOc1cccnc1C(=O)Nc1cccc([O-])c1F ZINC000539355896 382961226 /nfs/dbraw/zinc/96/12/26/382961226.db2.gz IBVCCYTYSMKAHN-UHFFFAOYSA-N -1 3 288.278 2.743 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(C3CC3)c2)nc(C)n1 ZINC000543059591 382971683 /nfs/dbraw/zinc/97/16/83/382971683.db2.gz WTIBSVWQFHOGJV-AWEZNQCLSA-N -1 3 292.342 2.856 20 30 CFEDHM COC(=O)N1CCC[C@H]([C@@H](C)/N=C\c2ccccc2[O-])C1 ZINC000495471633 382990009 /nfs/dbraw/zinc/99/00/09/382990009.db2.gz ALQYKMJJDAQXJZ-NAGLPPCWSA-N -1 3 290.363 2.678 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000448541113 383063809 /nfs/dbraw/zinc/06/38/09/383063809.db2.gz DLHSQZMGNPSRDQ-GFCCVEGCSA-N -1 3 276.299 2.756 20 30 CFEDHM C=C(C)CCN(CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000579484961 383022282 /nfs/dbraw/zinc/02/22/82/383022282.db2.gz ZMQBYYHVRRSERE-UHFFFAOYSA-N -1 3 281.352 2.783 20 30 CFEDHM CCCc1nc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000338625733 383024992 /nfs/dbraw/zinc/02/49/92/383024992.db2.gz KTYXUJPTPISSSE-SNVBAGLBSA-N -1 3 255.277 2.512 20 30 CFEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(NC(=O)OCC)cc1 ZINC000497069516 383129578 /nfs/dbraw/zinc/12/95/78/383129578.db2.gz DQLRANNMFYRMAR-SNVBAGLBSA-N -1 3 293.323 2.883 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000497069516 383129582 /nfs/dbraw/zinc/12/95/82/383129582.db2.gz DQLRANNMFYRMAR-SNVBAGLBSA-N -1 3 293.323 2.883 20 30 CFEDHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000566844714 383216774 /nfs/dbraw/zinc/21/67/74/383216774.db2.gz RQXXPYVDRHEPHZ-JTQLQIEISA-N -1 3 298.383 2.800 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000449890141 383369924 /nfs/dbraw/zinc/36/99/24/383369924.db2.gz SNLASGAKJQZRMX-JTQLQIEISA-N -1 3 273.336 2.656 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000449890141 383369927 /nfs/dbraw/zinc/36/99/27/383369927.db2.gz SNLASGAKJQZRMX-JTQLQIEISA-N -1 3 273.336 2.656 20 30 CFEDHM C=CC[C@@H](CC)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000487681584 383481201 /nfs/dbraw/zinc/48/12/01/383481201.db2.gz XILLOCZDRQZCBA-LLVKDONJSA-N -1 3 270.336 2.556 20 30 CFEDHM CCCn1c(SCc2ccc(C#N)s2)n[n-]c1=O ZINC000569001411 383459193 /nfs/dbraw/zinc/45/91/93/383459193.db2.gz YXKSUWDFTBBVKJ-UHFFFAOYSA-N -1 3 280.378 2.619 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636320052 383762808 /nfs/dbraw/zinc/76/28/08/383762808.db2.gz CGYTWVYLNBWUQI-NSHDSACASA-N -1 3 289.379 2.668 20 30 CFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nccs3)on2)c1 ZINC000436321830 383805485 /nfs/dbraw/zinc/80/54/85/383805485.db2.gz YTOVFOBJUSPLRO-UHFFFAOYSA-N -1 3 296.311 2.922 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2ncoc2CC)s1 ZINC000265752351 383990940 /nfs/dbraw/zinc/99/09/40/383990940.db2.gz HZBUXQGCCHIUMC-UHFFFAOYSA-N -1 3 275.333 2.985 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)[nH]c2C)n1 ZINC000642281983 384419996 /nfs/dbraw/zinc/41/99/96/384419996.db2.gz ZHXCNIQXWQXMLK-NSHDSACASA-N -1 3 259.334 2.887 20 30 CFEDHM C#CCN(CC)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280683894 385112374 /nfs/dbraw/zinc/11/23/74/385112374.db2.gz VDHKWEFWJYAOMN-UHFFFAOYSA-N -1 3 271.238 2.506 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC000281606682 195307114 /nfs/dbraw/zinc/30/71/14/195307114.db2.gz WHEAAUGGZWFDPY-BBRMVZONSA-N -1 3 289.375 2.666 20 30 CFEDHM Cc1noc([N-]C(=O)C(C)(C)Oc2ccc(C#N)cc2)c1C ZINC000269007010 132099640 /nfs/dbraw/zinc/09/96/40/132099640.db2.gz KCPANNMYESKJBL-UHFFFAOYSA-N -1 3 299.330 2.959 20 30 CFEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c([O-])c1O ZINC000179504598 393467472 /nfs/dbraw/zinc/46/74/72/393467472.db2.gz FGGRGTKCFPVSOH-QFYYESIMSA-N -1 3 288.347 2.609 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)c2c([O-])cccc21 ZINC000186333286 393544264 /nfs/dbraw/zinc/54/42/64/393544264.db2.gz BZVZCMAPSQCHGH-SNVBAGLBSA-N -1 3 281.315 2.746 20 30 CFEDHM CC[C@@H](C#N)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000335734104 393695794 /nfs/dbraw/zinc/69/57/94/393695794.db2.gz YQOCOMIDFMYZSY-LBPRGKRZSA-N -1 3 254.289 2.577 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000416967485 393947066 /nfs/dbraw/zinc/94/70/66/393947066.db2.gz XBSGICFKHSDFLY-AWEZNQCLSA-N -1 3 278.377 2.998 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C/c1ccc(OCC)cc1 ZINC000493107379 394149270 /nfs/dbraw/zinc/14/92/70/394149270.db2.gz PSFTVDMVTLKUGN-JXMROGBWSA-N -1 3 261.321 2.722 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000493295254 394202613 /nfs/dbraw/zinc/20/26/13/394202613.db2.gz SZVNZYWOSUBJKE-SREVYHEPSA-N -1 3 266.366 2.688 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1C1CC1 ZINC000556075119 394989154 /nfs/dbraw/zinc/98/91/54/394989154.db2.gz KBPYOCFMGSRTLU-CQSZACIVSA-N -1 3 293.326 2.853 20 30 CFEDHM Cc1nsc([N-]C(=O)c2csc(C3CC3)n2)c1C#N ZINC000574618024 395089326 /nfs/dbraw/zinc/08/93/26/395089326.db2.gz JRKVLDKBNOXHKI-UHFFFAOYSA-N -1 3 290.373 2.909 20 30 CFEDHM C=CCC(CC=C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649231271 395457063 /nfs/dbraw/zinc/45/70/63/395457063.db2.gz NUBDBGQEYBAGSX-UHFFFAOYSA-N -1 3 261.369 2.970 20 30 CFEDHM C=CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000656760502 413191682 /nfs/dbraw/zinc/19/16/82/413191682.db2.gz VQNQOPSYNPSBAO-GFCCVEGCSA-N -1 3 260.337 2.568 20 30 CFEDHM COc1cc(CNCc2cc([O-])cc(F)c2)ccc1C#N ZINC000353218458 163319120 /nfs/dbraw/zinc/31/91/20/163319120.db2.gz JYCSVOJNJAMZFR-UHFFFAOYSA-N -1 3 286.306 2.701 20 30 CFEDHM N#Cc1cccc(CCNCc2c(F)ccc([O-])c2F)c1 ZINC000353331132 163346221 /nfs/dbraw/zinc/34/62/21/163346221.db2.gz NKKWXEOVDKOGAS-UHFFFAOYSA-N -1 3 288.297 2.874 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1sccc1OC ZINC000660143087 414670914 /nfs/dbraw/zinc/67/09/14/414670914.db2.gz KZAGSROAXUSTBE-UHFFFAOYSA-N -1 3 289.422 2.780 20 30 CFEDHM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000334680899 225245993 /nfs/dbraw/zinc/24/59/93/225245993.db2.gz JBMOXMOSURHBEQ-KRTXAFLBSA-N -1 3 250.685 2.534 20 30 CFEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Cl ZINC000354468640 227003463 /nfs/dbraw/zinc/00/34/63/227003463.db2.gz PBGRWQQXANERBD-JTQLQIEISA-N -1 3 287.706 2.629 20 30 CFEDHM Cc1cc(C(=O)N[C@H](C#N)c2ccccc2F)ccc1[O-] ZINC000354487879 227012324 /nfs/dbraw/zinc/01/23/24/227012324.db2.gz FXLVEGYRJJSCDN-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)CC(C)(C)C#N)[nH][n-]2)c1 ZINC000352864354 227350274 /nfs/dbraw/zinc/35/02/74/227350274.db2.gz DBLDGKZUUZLNOA-UHFFFAOYSA-N -1 3 296.374 2.994 20 30 CFEDHM C[C@H]1CC(NC(=O)c2csc(=O)[n-]2)C[C@H](C)C1 ZINC000329980661 228005313 /nfs/dbraw/zinc/00/53/13/228005313.db2.gz LUDWYGFXWQBJPU-HTQZYQBOSA-N -1 3 254.355 2.978 20 30 CFEDHM N#C[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000332124607 228149829 /nfs/dbraw/zinc/14/98/29/228149829.db2.gz FNTLVRPIWBCSNL-WCQYABFASA-N -1 3 284.359 2.693 20 30 CFEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336196256 228210206 /nfs/dbraw/zinc/21/02/06/228210206.db2.gz KASZVAOXVSOLOG-JVXZTZIISA-N -1 3 284.237 2.899 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CC3)n1 ZINC000333301476 228196318 /nfs/dbraw/zinc/19/63/18/228196318.db2.gz LWXYRPAKNUOVJP-CYBMUJFWSA-N -1 3 297.383 2.934 20 30 CFEDHM N#CCc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179394009 260045934 /nfs/dbraw/zinc/04/59/34/260045934.db2.gz MKTSQLDGAMZZJU-ZZXKWVIFSA-N -1 3 279.299 2.505 20 30 CFEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000516810899 260130824 /nfs/dbraw/zinc/13/08/24/260130824.db2.gz USPDJXPGOLPKHR-GFCCVEGCSA-N -1 3 280.331 2.659 20 30 CFEDHM CCCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000088485322 260232915 /nfs/dbraw/zinc/23/29/15/260232915.db2.gz SXSBETZFSLVWLA-CYBMUJFWSA-N -1 3 282.365 2.519 20 30 CFEDHM CCN(CCC#N)Cc1cc([O-])ccc1Br ZINC000127660539 260803459 /nfs/dbraw/zinc/80/34/59/260803459.db2.gz KKFWDXYPJACVGB-UHFFFAOYSA-N -1 3 283.169 2.890 20 30 CFEDHM CCCOc1ccc(/C=N/[C@@H](CC)C(=O)OC)c([O-])c1 ZINC000176449494 261654129 /nfs/dbraw/zinc/65/41/29/261654129.db2.gz YOOHLLGNGNNFKC-RKPNYOAGSA-N -1 3 279.336 2.552 20 30 CFEDHM CCCOc1ccc(/C=N/[C@H](CC)C(=O)OC)c([O-])c1 ZINC000176449508 261654351 /nfs/dbraw/zinc/65/43/51/261654351.db2.gz YOOHLLGNGNNFKC-BVTUPMQUSA-N -1 3 279.336 2.552 20 30 CFEDHM CC(C)(C#N)CCC[S@@](=O)c1cccc([O-])c1 ZINC000184075284 262007013 /nfs/dbraw/zinc/00/70/13/262007013.db2.gz GFSPTZKBLNTANS-QGZVFWFLSA-N -1 3 251.351 2.830 20 30 CFEDHM C=CCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109625004 262254020 /nfs/dbraw/zinc/25/40/20/262254020.db2.gz BBAIQNZBTAOGQH-UHFFFAOYSA-N -1 3 260.272 2.516 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2cn3ccccc3n2)n1 ZINC000337198633 262432458 /nfs/dbraw/zinc/43/24/58/262432458.db2.gz ZUMNPVCMJWBADU-JTQLQIEISA-N -1 3 282.328 2.589 20 30 CFEDHM CC(C)c1ccc(C(=O)NCCCCC#N)c([O-])c1 ZINC000264081974 262866685 /nfs/dbraw/zinc/86/66/85/262866685.db2.gz DGAMMQISEPUKMZ-UHFFFAOYSA-N -1 3 260.337 2.939 20 30 CFEDHM N#CCN(Cc1cc([O-])ccc1Br)C1CC1 ZINC000271121803 262993314 /nfs/dbraw/zinc/99/33/14/262993314.db2.gz FHIJHHQALPUFEC-UHFFFAOYSA-N -1 3 281.153 2.643 20 30 CFEDHM COc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)ccc1[O-] ZINC000272639134 263007825 /nfs/dbraw/zinc/00/78/25/263007825.db2.gz XFPZQBIIABVHNK-ZDUSSCGKSA-N -1 3 288.347 2.603 20 30 CFEDHM Cc1ccc2[n-]cc(C(=O)N3CCC(C#N)CC3)c(=O)c2c1 ZINC000273172580 263013376 /nfs/dbraw/zinc/01/33/76/263013376.db2.gz FFGXLFNLDOBFOC-UHFFFAOYSA-N -1 3 295.342 2.625 20 30 CFEDHM CCN(CCC#N)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276506582 263037060 /nfs/dbraw/zinc/03/70/60/263037060.db2.gz ALVGOAUUABMRPD-UHFFFAOYSA-N -1 3 286.253 2.787 20 30 CFEDHM CC1(C)CCCN(C(=O)c2cccc([O-])c2)[C@@H]1C#N ZINC000277616098 263042283 /nfs/dbraw/zinc/04/22/83/263042283.db2.gz VSOIMPXZHQUPQP-CYBMUJFWSA-N -1 3 258.321 2.547 20 30 CFEDHM COCCCO[N-]C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000286842972 263099726 /nfs/dbraw/zinc/09/97/26/263099726.db2.gz ASXPKVUFJALOMT-UHFFFAOYSA-N -1 3 291.351 2.577 20 30 CFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000288575308 263104893 /nfs/dbraw/zinc/10/48/93/263104893.db2.gz LCDIZWWTHJQCDR-QMMMGPOBSA-N -1 3 293.175 2.574 20 30 CFEDHM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000290007953 263113886 /nfs/dbraw/zinc/11/38/86/263113886.db2.gz VTEUSEWLTLNIFX-LBPRGKRZSA-N -1 3 284.331 2.540 20 30 CFEDHM CCc1cc(C(=O)N2CCC(C)(C#N)CC2)ccc1[O-] ZINC000291479380 263123093 /nfs/dbraw/zinc/12/30/93/263123093.db2.gz AAUYXUQKENLSGW-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM Cc1cccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000295557133 263179543 /nfs/dbraw/zinc/17/95/43/263179543.db2.gz NCUGXYCCWBNNCQ-RYUDHWBXSA-N -1 3 258.321 2.513 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OCC ZINC000120074730 263281663 /nfs/dbraw/zinc/28/16/63/263281663.db2.gz FZZNEZCNWQSXAL-UHFFFAOYSA-N -1 3 273.329 2.542 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000120239705 263283099 /nfs/dbraw/zinc/28/30/99/263283099.db2.gz NOFSUTJOEPQZEG-UHFFFAOYSA-N -1 3 299.367 2.932 20 30 CFEDHM C=CCN(C)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000121261122 263293116 /nfs/dbraw/zinc/29/31/16/263293116.db2.gz KQSCEGADQLAJCV-UHFFFAOYSA-N -1 3 273.332 2.679 20 30 CFEDHM C=CCOc1cccnc1C(=O)[N-]c1c(C)noc1CC ZINC000342087916 263391550 /nfs/dbraw/zinc/39/15/50/263391550.db2.gz CAKRKUISPUPULL-UHFFFAOYSA-N -1 3 287.319 2.758 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2snnc2C(C)(C)C)n1 ZINC000331021812 264098985 /nfs/dbraw/zinc/09/89/85/264098985.db2.gz PUQRMIXDYFZNGV-UHFFFAOYSA-N -1 3 292.364 2.881 20 30 CFEDHM CCc1ccc(C(=O)N[C@@](C)(CO)C(C)C)c([O-])c1 ZINC000331227811 264151519 /nfs/dbraw/zinc/15/15/19/264151519.db2.gz DWPNFQZWBHGTAJ-HNNXBMFYSA-N -1 3 265.353 2.666 20 30 CFEDHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cccc(C)c1[O-] ZINC000331231178 264153240 /nfs/dbraw/zinc/15/32/40/264153240.db2.gz HWQXERPQGGBRFE-XHDPSFHLSA-N -1 3 265.353 2.802 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@](C)(CO)C(C)C)c1 ZINC000331183255 264155846 /nfs/dbraw/zinc/15/58/46/264155846.db2.gz IGTDFIPCIFHZPY-OAHLLOKOSA-N -1 3 265.353 2.666 20 30 CFEDHM CO[C@@]1(CNC(=O)c2ccc(C(C)C)cc2[O-])CCOC1 ZINC000331246400 264179272 /nfs/dbraw/zinc/17/92/72/264179272.db2.gz VBRHBMKUEBNNMZ-MRXNPFEDSA-N -1 3 293.363 2.626 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](CO)CC2CCCC2)c([O-])c1 ZINC000331246315 264179455 /nfs/dbraw/zinc/17/94/55/264179455.db2.gz 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/nfs/dbraw/zinc/17/47/50/574174750.db2.gz NFXQZYAKOYZUEN-UHFFFAOYSA-N -1 3 276.727 2.898 20 30 CFEDHM [O-]c1ccc(C=NNCc2ccc(F)cc2F)cc1F ZINC000755682741 574177909 /nfs/dbraw/zinc/17/79/09/574177909.db2.gz KFCFHJPXEJDMPP-UHFFFAOYSA-N -1 3 280.249 2.933 20 30 CFEDHM C[C@H]1COCCN1CC/N=C\c1c([O-])ccc2ccccc21 ZINC000729149530 574179776 /nfs/dbraw/zinc/17/97/76/574179776.db2.gz LHMGNVXVTHZMRO-YQNUULROSA-N -1 3 298.386 2.685 20 30 CFEDHM [O-]c1ccc(C=NNc2cc(F)c(F)cc2F)nc1 ZINC000755731550 574182081 /nfs/dbraw/zinc/18/20/81/574182081.db2.gz VBSRWQGXZFOSFG-UHFFFAOYSA-N -1 3 267.210 2.651 20 30 CFEDHM [O-]c1ccc(F)cc1C=NNc1cnnc2ccccc21 ZINC000755733613 574182691 /nfs/dbraw/zinc/18/26/91/574182691.db2.gz IUESFKGAVSIZER-UHFFFAOYSA-N -1 3 282.278 2.921 20 30 CFEDHM CCOc1ccc(C=NO[C@H]2CCCCO2)c([O-])c1 ZINC000755817496 574189553 /nfs/dbraw/zinc/18/95/53/574189553.db2.gz LUDSEHPSXXGLLZ-AWEZNQCLSA-N -1 3 265.309 2.668 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NO[C@@H]1CCCCO1 ZINC000755820748 574190121 /nfs/dbraw/zinc/19/01/21/574190121.db2.gz FDRBOIKYIATPBB-GFCCVEGCSA-N -1 3 255.701 2.923 20 30 CFEDHM CCCN(Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739358708 574209833 /nfs/dbraw/zinc/20/98/33/574209833.db2.gz FTJQZKFHYAFAJK-HNNXBMFYSA-N -1 3 287.363 2.523 20 30 CFEDHM COc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1C#N ZINC000756300068 574222992 /nfs/dbraw/zinc/22/29/92/574222992.db2.gz IPJJEWCUKQDWRW-UHFFFAOYSA-N -1 3 296.326 2.555 20 30 CFEDHM Cc1ccccc1-c1cccc(C=NN2CC(=O)[N-]C2=O)c1 ZINC000729635106 574225135 /nfs/dbraw/zinc/22/51/35/574225135.db2.gz CGGARLJJHAZJQC-UHFFFAOYSA-N -1 3 293.326 2.548 20 30 CFEDHM Cc1cc(N=NC(C)c2ccc([O-])cc2F)nc(C)n1 ZINC000729932694 574238334 /nfs/dbraw/zinc/23/83/34/574238334.db2.gz IXVVRDODZVQEIM-UHFFFAOYSA-N -1 3 274.299 2.774 20 30 CFEDHM CC(=[NH+][N-]c1cccnn1)c1ccc(N2CCCC2)cc1[O-] ZINC000748250801 574243745 /nfs/dbraw/zinc/24/37/45/574243745.db2.gz FITYTFXITXORDK-UHFFFAOYSA-N -1 3 297.362 2.619 20 30 CFEDHM [O-]c1c(O)ccc(/C=N\CC23CCC(CC2)C3)c1O ZINC000756841495 574267502 /nfs/dbraw/zinc/26/75/02/574267502.db2.gz XYLWFXPQFJKBPX-PXNMLYILSA-N -1 3 261.321 2.803 20 30 CFEDHM Cc1cc(C#N)ccc1COC(=O)c1ccc([O-])cc1O ZINC000749155815 574283079 /nfs/dbraw/zinc/28/30/79/574283079.db2.gz VIUWPVJHXNYENU-UHFFFAOYSA-N -1 3 283.283 2.635 20 30 CFEDHM CC[C@H](/N=C\c1ccc(O)c([O-])c1O)c1ccncc1 ZINC000741466073 574291718 /nfs/dbraw/zinc/29/17/18/574291718.db2.gz CSVDSVZIRNVGRX-CHROMADKSA-N -1 3 272.304 2.769 20 30 CFEDHM C=CC[C@@H](NC(=O)c1cc([O-])cs1)c1ccncc1 ZINC000734555360 574292504 /nfs/dbraw/zinc/29/25/04/574292504.db2.gz QABMQGQFLRNUQB-GFCCVEGCSA-N -1 3 274.345 2.896 20 30 CFEDHM O=[N+]([O-])c1ccccc1CC/N=C/c1ccccc1[O-] ZINC000741844081 574306482 /nfs/dbraw/zinc/30/64/82/574306482.db2.gz NNJAWLVJLJVSBB-LFIBNONCSA-N -1 3 270.288 2.962 20 30 CFEDHM C=CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742220468 574319282 /nfs/dbraw/zinc/31/92/82/574319282.db2.gz NNVLPRQBEJUMFZ-YVMONPNESA-N -1 3 254.289 2.917 20 30 CFEDHM C#CCOc1ccc(F)cc1NCc1nc(C)ccc1[O-] ZINC000742376674 574326073 /nfs/dbraw/zinc/32/60/73/574326073.db2.gz BJFYNCZQZRDEME-UHFFFAOYSA-N -1 3 286.306 2.859 20 30 CFEDHM C=CC[C@H](NC(=O)c1ccccc1[O-])c1ccncc1 ZINC000750197167 574330514 /nfs/dbraw/zinc/33/05/14/574330514.db2.gz YIQWATQFGQABPR-AWEZNQCLSA-N -1 3 268.316 2.834 20 30 CFEDHM CC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735684232 574333644 /nfs/dbraw/zinc/33/36/44/574333644.db2.gz KIKQZOXOZBFRNP-UHFFFAOYSA-N -1 3 284.245 2.693 20 30 CFEDHM CC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735684232 574333647 /nfs/dbraw/zinc/33/36/47/574333647.db2.gz KIKQZOXOZBFRNP-UHFFFAOYSA-N -1 3 284.245 2.693 20 30 CFEDHM C[C@H]1CC(N=Nc2cccnn2)c2c1c(F)ccc2[O-] ZINC000735973885 574345760 /nfs/dbraw/zinc/34/57/60/574345760.db2.gz VUEMCXJUHSGPBS-QMMMGPOBSA-N -1 3 272.283 2.645 20 30 CFEDHM C=CCN(Cc1ccc(F)cc1C(=O)[O-])C(C)C ZINC000736108784 574350408 /nfs/dbraw/zinc/35/04/08/574350408.db2.gz SCIFPFVOEUHMCR-UHFFFAOYSA-N -1 3 251.301 2.920 20 30 CFEDHM CCOc1ccc(/C=N/[C@@H]2CCSC2)c([O-])c1 ZINC000743045028 574352594 /nfs/dbraw/zinc/35/25/94/574352594.db2.gz WTYKZUIEVWQVRF-GYBQTFJISA-N -1 3 251.351 2.715 20 30 CFEDHM [O-]c1c(O)cccc1C=NNc1ccc(Cl)nc1 ZINC000743450751 574364999 /nfs/dbraw/zinc/36/49/99/574364999.db2.gz PROSSJVPJDRTIC-UHFFFAOYSA-N -1 3 263.684 2.592 20 30 CFEDHM C[C@H]1CCCC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743448607 574365047 /nfs/dbraw/zinc/36/50/47/574365047.db2.gz XFMJMTTUEOJQBZ-ZDUSSCGKSA-N -1 3 294.420 2.715 20 30 CFEDHM O=C1[C@@H](/N=C\c2ccccc2[O-])CCN1Cc1ccccc1 ZINC000743537952 574368322 /nfs/dbraw/zinc/36/83/22/574368322.db2.gz FBLZTRCRNFXWGZ-JJBLJPBOSA-N -1 3 294.354 2.612 20 30 CFEDHM C#CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000751249735 574372884 /nfs/dbraw/zinc/37/28/84/574372884.db2.gz VOEAEOIPDNKAFJ-UHFFFAOYSA-N -1 3 299.804 2.856 20 30 CFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=CC1CC1 ZINC000744011232 574375977 /nfs/dbraw/zinc/37/59/77/574375977.db2.gz XOVBEIBJIZDTED-LAUAKBEESA-N -1 3 265.316 2.716 20 30 CFEDHM CCOc1ccc(/C=N/Cc2ncccc2F)c([O-])c1 ZINC000751518013 574378144 /nfs/dbraw/zinc/37/81/44/574378144.db2.gz SOKUIGJAUGZNQN-RQZCQDPDSA-N -1 3 274.295 2.944 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn[nH]c1 ZINC000751521240 574378218 /nfs/dbraw/zinc/37/82/18/574378218.db2.gz FKNQGKXEWYITJI-CPLNQPMESA-N -1 3 258.252 2.638 20 30 CFEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc([O-])c(F)c1 ZINC000751528343 574378365 /nfs/dbraw/zinc/37/83/65/574378365.db2.gz BBDUEVPTPORJRG-QMMMGPOBSA-N -1 3 295.383 2.518 20 30 CFEDHM COC(=O)Cc1ccccc1N=Cc1cccc([O-])c1O ZINC000751890570 574384320 /nfs/dbraw/zinc/38/43/20/574384320.db2.gz OTFYDOVIWVAYOV-UHFFFAOYSA-N -1 3 285.299 2.564 20 30 CFEDHM CCOC(=O)[C@@H](CC1CC1)/N=C\c1ccccc1[O-] ZINC000751890576 574384348 /nfs/dbraw/zinc/38/43/48/574384348.db2.gz OTMMADZLCQQCMF-YDRQLGOLSA-N -1 3 261.321 2.543 20 30 CFEDHM N#Cc1ccc(C(=O)OCc2cccc(OC(F)F)c2)[n-]1 ZINC000752516164 574392214 /nfs/dbraw/zinc/39/22/14/574392214.db2.gz NLZGZXPGXCSZDF-UHFFFAOYSA-N -1 3 292.241 2.845 20 30 CFEDHM O=C(CC[C@H]1CCCO1)N([O-])Cc1ccc(F)cc1 ZINC000900095800 620637009 /nfs/dbraw/zinc/63/70/09/620637009.db2.gz KAKMBDZURGEDRN-CYBMUJFWSA-N -1 3 267.300 2.503 20 30 CFEDHM O=C(C1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091940 620637251 /nfs/dbraw/zinc/63/72/51/620637251.db2.gz TZQCBUCUWGPAAX-UHFFFAOYSA-N -1 3 285.343 2.984 20 30 CFEDHM C=CCN(C/C=C(/C)C(=O)[O-])Cc1ccc(OC)cc1 ZINC000825682279 601157352 /nfs/dbraw/zinc/15/73/52/601157352.db2.gz VWKNPQYJCOVEEI-LCYFTJDESA-N -1 3 275.348 2.714 20 30 CFEDHM Cc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832977954 601298631 /nfs/dbraw/zinc/29/86/31/601298631.db2.gz AGWNLXSTQMJKTP-MRXNPFEDSA-N -1 3 280.327 2.782 20 30 CFEDHM Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832967128 601299602 /nfs/dbraw/zinc/29/96/02/601299602.db2.gz OJLUCQVATYKGIV-MRXNPFEDSA-N -1 3 280.327 2.782 20 30 CFEDHM C=CCN(Cc1ccccc1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833375890 604822459 /nfs/dbraw/zinc/82/24/59/604822459.db2.gz ILCAKTRITNGGBA-OAHLLOKOSA-N -1 3 287.359 2.822 20 30 CFEDHM CCCCCCCC[C@@H](N)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000900457832 620679003 /nfs/dbraw/zinc/67/90/03/620679003.db2.gz XJEZGCBOKRYCIO-KGLIPLIRSA-N -1 3 298.427 2.530 20 30 CFEDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000833406145 604973661 /nfs/dbraw/zinc/97/36/61/604973661.db2.gz CHUYRJUOLDLQAX-WBMJQRKESA-N -1 3 295.342 2.505 20 30 CFEDHM C=CC1(CC(=O)[N-]OCCCOC)CCCCC1 ZINC000935967527 649967530 /nfs/dbraw/zinc/96/75/30/649967530.db2.gz YMYSTDNWGWKICX-UHFFFAOYSA-N -1 3 255.358 2.597 20 30 CFEDHM N#Cc1ccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc1 ZINC000822833293 606790414 /nfs/dbraw/zinc/79/04/14/606790414.db2.gz NQYHFRIVGZIVKL-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM N#Cc1ccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc1 ZINC000822833293 606790416 /nfs/dbraw/zinc/79/04/16/606790416.db2.gz NQYHFRIVGZIVKL-UHFFFAOYSA-N -1 3 298.693 2.579 20 30 CFEDHM C[C@@H](C#N)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819854036 606851196 /nfs/dbraw/zinc/85/11/96/606851196.db2.gz AIJLYIQLNKPXHH-LURJTMIESA-N -1 3 265.729 2.524 20 30 CFEDHM C[C@@H](C#N)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819854036 606851197 /nfs/dbraw/zinc/85/11/97/606851197.db2.gz AIJLYIQLNKPXHH-LURJTMIESA-N -1 3 265.729 2.524 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826402419 607883825 /nfs/dbraw/zinc/88/38/25/607883825.db2.gz UBNZSJQCEIUMEV-HJWRWDBZSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000826402419 607883826 /nfs/dbraw/zinc/88/38/26/607883826.db2.gz UBNZSJQCEIUMEV-HJWRWDBZSA-N -1 3 294.289 2.902 20 30 CFEDHM CCC(CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825095455 608541984 /nfs/dbraw/zinc/54/19/84/608541984.db2.gz GRNLYNCRZKIRMU-UHFFFAOYSA-N -1 3 279.735 2.503 20 30 CFEDHM CCC(CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825095455 608541985 /nfs/dbraw/zinc/54/19/85/608541985.db2.gz GRNLYNCRZKIRMU-UHFFFAOYSA-N -1 3 279.735 2.503 20 30 CFEDHM CC(C)(CCC#N)CNc1cccc(-c2nnn[n-]2)c1 ZINC000158187451 608867610 /nfs/dbraw/zinc/86/76/10/608867610.db2.gz KCDAKPDPSJRNEZ-UHFFFAOYSA-N -1 3 270.340 2.609 20 30 CFEDHM CC(C)(CCC#N)CNc1cccc(-c2nn[n-]n2)c1 ZINC000158187451 608867611 /nfs/dbraw/zinc/86/76/11/608867611.db2.gz KCDAKPDPSJRNEZ-UHFFFAOYSA-N -1 3 270.340 2.609 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000900683014 620701626 /nfs/dbraw/zinc/70/16/26/620701626.db2.gz SKBRLGPIIRHLBM-CHWSQXEVSA-N -1 3 278.308 2.716 20 30 CFEDHM N#CCc1ccc(COc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382806 609482837 /nfs/dbraw/zinc/48/28/37/609482837.db2.gz VTYXZXHRRBQUOJ-UHFFFAOYSA-N -1 3 291.314 2.512 20 30 CFEDHM N#CCc1ccc(COc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382806 609482840 /nfs/dbraw/zinc/48/28/40/609482840.db2.gz VTYXZXHRRBQUOJ-UHFFFAOYSA-N -1 3 291.314 2.512 20 30 CFEDHM C=CCCCN(CC)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000890811657 617909782 /nfs/dbraw/zinc/90/97/82/617909782.db2.gz LECVLKPWYARXQA-UHFFFAOYSA-N -1 3 277.320 2.549 20 30 CFEDHM C#C[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000890654125 617739368 /nfs/dbraw/zinc/73/93/68/617739368.db2.gz ZSMDYBGFTSZLLR-CQSZACIVSA-N -1 3 289.350 2.868 20 30 CFEDHM N#CC[C@@H](CC(=O)[N-]OC/C=C\Cl)c1ccccc1 ZINC000812403089 617783516 /nfs/dbraw/zinc/78/35/16/617783516.db2.gz JGGGQZWTPIYOEB-UKOWJOKBSA-N -1 3 278.739 2.874 20 30 CFEDHM CON=Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000255201374 618092115 /nfs/dbraw/zinc/09/21/15/618092115.db2.gz DLFNALMOIILRCZ-UHFFFAOYSA-N -1 3 288.278 2.764 20 30 CFEDHM COC1(C/N=C\c2cc(Cl)ccc2[O-])CCOCC1 ZINC000255550926 618104467 /nfs/dbraw/zinc/10/44/67/618104467.db2.gz TVSMNHSZGHBQPH-SXGWCWSVSA-N -1 3 283.755 2.660 20 30 CFEDHM C=C(C)CO[N-]C(=O)Cc1cc(Br)ccc1C ZINC000846533908 618108216 /nfs/dbraw/zinc/10/82/16/618108216.db2.gz HMMGUFVNWQJABZ-UHFFFAOYSA-N -1 3 298.180 2.924 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(Br)c1 ZINC000846551398 618113971 /nfs/dbraw/zinc/11/39/71/618113971.db2.gz SISKMFKYAVKDNK-VIFPVBQESA-N -1 3 284.153 2.614 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000846551549 618114337 /nfs/dbraw/zinc/11/43/37/618114337.db2.gz WKKYBWSAJVOLMB-QWRGUYRKSA-N -1 3 251.301 2.942 20 30 CFEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CO1 ZINC000901371745 620796583 /nfs/dbraw/zinc/79/65/83/620796583.db2.gz XYTMKICFRXODLT-IUODEOHRSA-N -1 3 285.343 2.983 20 30 CFEDHM CC(C)COCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375020 620798550 /nfs/dbraw/zinc/79/85/50/620798550.db2.gz AYFFJSUJDNBOKI-UHFFFAOYSA-N -1 3 269.316 2.606 20 30 CFEDHM O=C(CCC(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901376613 620798598 /nfs/dbraw/zinc/79/85/98/620798598.db2.gz WBTBXYMODNOMBX-UHFFFAOYSA-N -1 3 265.206 2.886 20 30 CFEDHM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1ccccn1 ZINC000892484004 618363688 /nfs/dbraw/zinc/36/36/88/618363688.db2.gz XHUIJDXFFUOSNY-GFCCVEGCSA-N -1 3 280.331 2.794 20 30 CFEDHM CCc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000254820211 618410480 /nfs/dbraw/zinc/41/04/80/618410480.db2.gz SABMJVZDCUBQDY-UHFFFAOYSA-N -1 3 270.332 2.901 20 30 CFEDHM C[C@H](C#N)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080162 618611863 /nfs/dbraw/zinc/61/18/63/618611863.db2.gz KBMBWESJJYNAAR-ZCFIWIBFSA-N -1 3 265.219 2.569 20 30 CFEDHM C#CCCN(Cc1ccc([O-])c(F)c1)CC(F)(F)F ZINC000893641485 619138291 /nfs/dbraw/zinc/13/82/91/619138291.db2.gz WBMCFPUOQQPEFX-UHFFFAOYSA-N -1 3 275.245 2.919 20 30 CFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(Cl)cc2)c1[O-] ZINC000018137848 619369298 /nfs/dbraw/zinc/36/92/98/619369298.db2.gz WVNKTNFVEYOMSY-CAOOACKPSA-N -1 3 290.750 2.860 20 30 CFEDHM C=CC[C@@H]1CCN(Cc2ncc(Br)cc2[O-])C1 ZINC000895560873 619555740 /nfs/dbraw/zinc/55/57/40/619555740.db2.gz UMMJDELCOVEVFD-SNVBAGLBSA-N -1 3 297.196 2.948 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000896506773 619753042 /nfs/dbraw/zinc/75/30/42/619753042.db2.gz YPGWFCLWIXJTMK-JTQLQIEISA-N -1 3 250.729 2.781 20 30 CFEDHM CC1(C)COC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000840711101 619923675 /nfs/dbraw/zinc/92/36/75/619923675.db2.gz WLTHVWWOJDSXMA-FCGPPKDQSA-N -1 3 298.180 2.999 20 30 CFEDHM CCc1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)c([O-])c1 ZINC000928806313 620018477 /nfs/dbraw/zinc/01/84/77/620018477.db2.gz RJBYPABQINETAH-NSHDSACASA-N -1 3 286.253 2.529 20 30 CFEDHM C=C1CCC(C/N=C\c2c([O-])c(C)ncc2CO)CC1 ZINC000899226235 620532196 /nfs/dbraw/zinc/53/21/96/620532196.db2.gz NUPFCHQSQJEDOF-MFOYZWKCSA-N -1 3 274.364 2.753 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2C2CC2)ccc1[O-] ZINC000899340857 620546849 /nfs/dbraw/zinc/54/68/49/620546849.db2.gz NNPHBMYIOQKUCW-SREVYHEPSA-N -1 3 298.342 2.908 20 30 CFEDHM C#CCOc1cccc(Cl)c1CN[C@H](C)[C@H](C)C(=O)[O-] ZINC000901455212 620828170 /nfs/dbraw/zinc/82/81/70/620828170.db2.gz ZNOROBYAOMAFPK-WDEREUQCSA-N -1 3 295.766 2.551 20 30 CFEDHM C=C(C)C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000901679039 620890904 /nfs/dbraw/zinc/89/09/04/620890904.db2.gz LVPKMMKYVCQHOW-LBPRGKRZSA-N -1 3 298.726 2.757 20 30 CFEDHM C#Cc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901785936 620915164 /nfs/dbraw/zinc/91/51/64/620915164.db2.gz IFFWGVTZYNIGTG-CQSZACIVSA-N -1 3 297.276 2.507 20 30 CFEDHM C[C@@H](NCC1(C#N)CC1)c1cc(F)cc(F)c1[O-] ZINC000903105636 621255340 /nfs/dbraw/zinc/25/53/40/621255340.db2.gz GKWUHVLKDSAASL-MRVPVSSYSA-N -1 3 252.264 2.625 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(C2CC2)cn1 ZINC000903660923 621413197 /nfs/dbraw/zinc/41/31/97/621413197.db2.gz HGQVWHSWZIFNMB-UHFFFAOYSA-N -1 3 266.366 2.667 20 30 CFEDHM CC(C)[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173287 621541762 /nfs/dbraw/zinc/54/17/62/621541762.db2.gz IFXPDHLXTPAVKB-QWHCGFSZSA-N -1 3 251.301 2.836 20 30 CFEDHM CN1CCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904173093 621541805 /nfs/dbraw/zinc/54/18/05/621541805.db2.gz NAGVJHYUUPQODB-INIZCTEOSA-N -1 3 284.359 2.652 20 30 CFEDHM COCCC[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173718 621542249 /nfs/dbraw/zinc/54/22/49/621542249.db2.gz PXHQNAHIBHEJCW-LLVKDONJSA-N -1 3 269.316 2.606 20 30 CFEDHM CSCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175691 621542562 /nfs/dbraw/zinc/54/25/62/621542562.db2.gz WQJMCTIMKHVMPQ-UHFFFAOYSA-N -1 3 257.330 2.687 20 30 CFEDHM CC(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)no1 ZINC000904178088 621543741 /nfs/dbraw/zinc/54/37/41/621543741.db2.gz YNVXPMDOGQQLHP-UHFFFAOYSA-N -1 3 278.283 2.969 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000904207297 621543829 /nfs/dbraw/zinc/54/38/29/621543829.db2.gz YFZBMALMTDYRLS-CQSZACIVSA-N -1 3 290.363 2.659 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000904206527 621544008 /nfs/dbraw/zinc/54/40/08/621544008.db2.gz AQVQVWWHSNGNLR-GFCCVEGCSA-N -1 3 267.373 2.626 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000904206791 621544031 /nfs/dbraw/zinc/54/40/31/621544031.db2.gz IGUHGMKALIRPIQ-CYBMUJFWSA-N -1 3 279.384 2.552 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC000904206549 621544075 /nfs/dbraw/zinc/54/40/75/621544075.db2.gz BJLYVNOLUPPRRJ-CYBMUJFWSA-N -1 3 279.384 2.552 20 30 CFEDHM CCCCCCN([O-])C(=O)Cn1cc(C2CC2)cn1 ZINC000904206694 621544146 /nfs/dbraw/zinc/54/41/46/621544146.db2.gz FDXULIKCQSLQTK-UHFFFAOYSA-N -1 3 265.357 2.559 20 30 CFEDHM CCCCN([O-])C(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000904209923 621544947 /nfs/dbraw/zinc/54/49/47/621544947.db2.gz AIVVPJOSAWLREB-UHFFFAOYSA-N -1 3 297.326 2.815 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC000904208903 621545038 /nfs/dbraw/zinc/54/50/38/621545038.db2.gz MANSFZDUHQZNEI-LBPRGKRZSA-N -1 3 279.336 2.674 20 30 CFEDHM O=C(c1cnn(C2CC2)c1)N([O-])Cc1ccccc1Cl ZINC000904192647 621546765 /nfs/dbraw/zinc/54/67/65/621546765.db2.gz UDPSMYLWIIDUGN-UHFFFAOYSA-N -1 3 291.738 2.903 20 30 CFEDHM COC(=O)C[C@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904193290 621546836 /nfs/dbraw/zinc/54/68/36/621546836.db2.gz NIDRJMOXAJUKDH-SNVBAGLBSA-N -1 3 299.754 2.647 20 30 CFEDHM COCC1(CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904193653 621547411 /nfs/dbraw/zinc/54/74/11/621547411.db2.gz SAGRKFTXLBFLSO-UHFFFAOYSA-N -1 3 283.755 2.875 20 30 CFEDHM O=C(N([O-])CCCCc1ccccc1)C1(F)CCOCC1 ZINC000904196244 621547699 /nfs/dbraw/zinc/54/76/99/621547699.db2.gz RBARIDAARQTZQC-UHFFFAOYSA-N -1 3 295.354 2.746 20 30 CFEDHM O=C(CCc1ccncn1)N([O-])CCCCc1ccccc1 ZINC000904197635 621548585 /nfs/dbraw/zinc/54/85/85/621548585.db2.gz JNOSDOLWOSOCFX-UHFFFAOYSA-N -1 3 299.374 2.650 20 30 CFEDHM O=C([C@H]1C[C@@]12CCOC2)N([O-])CCCCc1ccccc1 ZINC000904197871 621548636 /nfs/dbraw/zinc/54/86/36/621548636.db2.gz PDJXYTDIJPYJCW-NVXWUHKLSA-N -1 3 289.375 2.654 20 30 CFEDHM CS[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904201100 621549212 /nfs/dbraw/zinc/54/92/12/621549212.db2.gz IVGRFZNNYYONAD-LBPRGKRZSA-N -1 3 267.394 2.979 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cc(C2CC2)n(C)n1 ZINC000904204065 621550134 /nfs/dbraw/zinc/55/01/34/621550134.db2.gz CYMZPAFAGSDVMD-UHFFFAOYSA-N -1 3 265.357 2.709 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1c1nccs1 ZINC000904204755 621550453 /nfs/dbraw/zinc/55/04/53/621550453.db2.gz UGCCHWULSCMYPS-GFCCVEGCSA-N -1 3 297.424 2.910 20 30 CFEDHM CCCCCCN([O-])C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000904205046 621550580 /nfs/dbraw/zinc/55/05/80/621550580.db2.gz YPBZLRWKPPPSGK-VXGBXAGGSA-N -1 3 255.358 2.790 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccn(C(C)C)n1 ZINC000904204540 621550718 /nfs/dbraw/zinc/55/07/18/621550718.db2.gz ODZCALIPXLDNES-UHFFFAOYSA-N -1 3 267.373 2.805 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccc(NC(C)=O)cc1 ZINC000904205673 621550984 /nfs/dbraw/zinc/55/09/84/621550984.db2.gz ROJVUSJAZLAAFX-UHFFFAOYSA-N -1 3 292.379 2.986 20 30 CFEDHM CCCCN([O-])C(=O)CSc1ccccc1OC ZINC000904212856 621554543 /nfs/dbraw/zinc/55/45/43/621554543.db2.gz VFYWMRMPJRYZPF-UHFFFAOYSA-N -1 3 269.366 2.805 20 30 CFEDHM CCCCN([O-])C(=O)c1csc(Br)n1 ZINC000904214800 621555119 /nfs/dbraw/zinc/55/51/19/621555119.db2.gz NKWFZZAASMOPFY-UHFFFAOYSA-N -1 3 279.159 2.537 20 30 CFEDHM C=CCCC[C@H](N)c1nc(-c2ccc([O-])cc2F)no1 ZINC000904688941 621622665 /nfs/dbraw/zinc/62/26/65/621622665.db2.gz FMGFEGIVQVNMBF-LBPRGKRZSA-N -1 3 277.299 2.937 20 30 CFEDHM CC[C@@H](CN1CCOCC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000905001563 621679528 /nfs/dbraw/zinc/67/95/28/621679528.db2.gz BBRALQVGJFFELT-XGHPXPSOSA-N -1 3 296.798 2.575 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1C[C@H]2CCC[C@@H]2C1 ZINC000905439374 621772332 /nfs/dbraw/zinc/77/23/32/621772332.db2.gz QBMUTRJXPWQXNG-ZIAGYGMSSA-N -1 3 292.404 2.672 20 30 CFEDHM CC(=NN[C@@H]1CCSC1)c1ccc([O-])cc1Cl ZINC000905470831 621781256 /nfs/dbraw/zinc/78/12/56/621781256.db2.gz GCHPDJUDMOSFMC-SECBINFHSA-N -1 3 270.785 2.865 20 30 CFEDHM C#CCOc1cccc(Cl)c1CN[C@H](CCC)C(=O)[O-] ZINC000905787342 621872272 /nfs/dbraw/zinc/87/22/72/621872272.db2.gz PXZROEVVUPCQLU-CYBMUJFWSA-N -1 3 295.766 2.695 20 30 CFEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C)c1 ZINC000906478914 621993834 /nfs/dbraw/zinc/99/38/34/621993834.db2.gz IAGBSAKUBWCERA-AWEZNQCLSA-N -1 3 296.317 2.841 20 30 CFEDHM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(OC)c1 ZINC000906481388 621994253 /nfs/dbraw/zinc/99/42/53/621994253.db2.gz BNJZIOARDQLVNA-LLVKDONJSA-N -1 3 282.290 2.595 20 30 CFEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OC/C=C\Cl ZINC000908309931 622216283 /nfs/dbraw/zinc/21/62/83/622216283.db2.gz BJZMESAGHLGICX-ARJAWSKDSA-N -1 3 278.739 2.518 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCC3)n[n-]2)o1 ZINC000183894580 625555322 /nfs/dbraw/zinc/55/53/22/625555322.db2.gz WMIOBLMDINJDFZ-UHFFFAOYSA-N -1 3 285.303 2.829 20 30 CFEDHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CCC3)[n-]n2)o1 ZINC000183894580 625555325 /nfs/dbraw/zinc/55/53/25/625555325.db2.gz WMIOBLMDINJDFZ-UHFFFAOYSA-N -1 3 285.303 2.829 20 30 CFEDHM C[C@H](NN=C1CCc2c1ccc([O-])c2F)c1ccncc1 ZINC000819819037 622564394 /nfs/dbraw/zinc/56/43/94/622564394.db2.gz RGFBRONARHLEKP-JTQLQIEISA-N -1 3 285.322 2.927 20 30 CFEDHM CC(C)(C#N)CCSc1ccc(-c2nnn[n-]2)cc1 ZINC000819891620 622567190 /nfs/dbraw/zinc/56/71/90/622567190.db2.gz DPGJZFDYHNDQPI-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM CC(C)(C#N)CCSc1ccc(-c2nn[n-]n2)cc1 ZINC000819891620 622567193 /nfs/dbraw/zinc/56/71/93/622567193.db2.gz DPGJZFDYHNDQPI-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c([O-])cccc1OC ZINC000912707456 622764211 /nfs/dbraw/zinc/76/42/11/622764211.db2.gz TTWSCHZBCIAOKB-TXEJJXNPSA-N -1 3 273.332 2.724 20 30 CFEDHM CC(C)C#CC(=O)Nc1ccc(Br)cc1[O-] ZINC000821845859 622992438 /nfs/dbraw/zinc/99/24/38/622992438.db2.gz NPLIQKMKJDHAJZ-UHFFFAOYSA-N -1 3 282.137 2.753 20 30 CFEDHM C=CCO[N-]C(=O)CCc1ccc(SC)cc1 ZINC000821901178 623004384 /nfs/dbraw/zinc/00/43/84/623004384.db2.gz YQXBNMVPFLPRRZ-UHFFFAOYSA-N -1 3 251.351 2.575 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1ccc(F)cc1C(F)(F)F ZINC000167664616 623062329 /nfs/dbraw/zinc/06/23/29/623062329.db2.gz AJPSJGRASGWWRU-UHFFFAOYSA-N -1 3 291.244 2.917 20 30 CFEDHM N#CCN(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824618723 623533318 /nfs/dbraw/zinc/53/33/18/623533318.db2.gz YRHOYOXFHAUVPA-UHFFFAOYSA-N -1 3 281.153 2.643 20 30 CFEDHM CC1(C)CCC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824796907 623567629 /nfs/dbraw/zinc/56/76/29/623567629.db2.gz UMLABYJCNDWKLG-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM CC1(C)CCC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824796907 623567636 /nfs/dbraw/zinc/56/76/36/623567636.db2.gz UMLABYJCNDWKLG-UHFFFAOYSA-N -1 3 270.340 2.845 20 30 CFEDHM COc1ccc(C=NNc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000914693259 623920191 /nfs/dbraw/zinc/92/01/91/623920191.db2.gz RMCYFIZFIVCKHN-UHFFFAOYSA-N -1 3 287.275 2.755 20 30 CFEDHM Cc1cc(Cl)cc(C=NOC[C@@H]2CCOC2)c1[O-] ZINC000788030165 623946354 /nfs/dbraw/zinc/94/63/54/623946354.db2.gz KNSODEABDMDCIY-SNVBAGLBSA-N -1 3 269.728 2.741 20 30 CFEDHM C=CCC1(C(=O)[N-]OCc2cccnc2)CCCC1 ZINC000827170537 623958442 /nfs/dbraw/zinc/95/84/42/623958442.db2.gz UIADHFONOGGYNE-UHFFFAOYSA-N -1 3 260.337 2.766 20 30 CFEDHM C=CCNC(=S)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000915924021 624189287 /nfs/dbraw/zinc/18/92/87/624189287.db2.gz CGBCKBBYFBCPGH-UHFFFAOYSA-N -1 3 299.399 2.920 20 30 CFEDHM Cc1ncc(CO)c(C=NNc2cccc(Cl)c2)c1[O-] ZINC000916269334 624233502 /nfs/dbraw/zinc/23/35/02/624233502.db2.gz GZRKUIKAHDYEGG-UHFFFAOYSA-N -1 3 291.738 2.687 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000920175606 624695357 /nfs/dbraw/zinc/69/53/57/624695357.db2.gz YNPZUVOUZNGQDG-WZIPMYHMSA-N -1 3 276.380 2.833 20 30 CFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccs1 ZINC000920387572 624718555 /nfs/dbraw/zinc/71/85/55/624718555.db2.gz RKLLKPSKRIJGSD-UHFFFAOYSA-N -1 3 294.401 2.592 20 30 CFEDHM CC(C)C#CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000830753104 624842982 /nfs/dbraw/zinc/84/29/82/624842982.db2.gz IQMPFUJUEIWOLZ-UHFFFAOYSA-N -1 3 285.265 2.913 20 30 CFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000233357625 624940475 /nfs/dbraw/zinc/94/04/75/624940475.db2.gz VQYJGPWIGZYHHQ-SECBINFHSA-N -1 3 291.825 2.790 20 30 CFEDHM CC1(C)COCCN1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000170839468 624944030 /nfs/dbraw/zinc/94/40/30/624944030.db2.gz OKYKCKUSVRCFKS-LICLKQGHSA-N -1 3 296.798 2.575 20 30 CFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCC12CCC2 ZINC000834944285 625931175 /nfs/dbraw/zinc/93/11/75/625931175.db2.gz NTAZBZITQWSPIH-UHFFFAOYSA-N -1 3 292.404 2.816 20 30 CFEDHM CC1(C)OCC[C@@H]1NN=Cc1c([O-])cccc1Cl ZINC000835016934 625961886 /nfs/dbraw/zinc/96/18/86/625961886.db2.gz JCOAPJCXMAZFPC-LBPRGKRZSA-N -1 3 268.744 2.537 20 30 CFEDHM CC[C@@](C)([N-]C(=O)[C@@H](F)C(F)(F)F)C(F)(F)F ZINC000839290821 626532950 /nfs/dbraw/zinc/53/29/50/626532950.db2.gz BIJXSEQBNDMVFK-INEUFUBQSA-N -1 3 269.160 2.734 20 30 CFEDHM CC(=NNc1ccc(C)nn1)c1cc(F)cc(F)c1[O-] ZINC000757465804 626552790 /nfs/dbraw/zinc/55/27/90/626552790.db2.gz XNDDOXFECCJEFY-UHFFFAOYSA-N -1 3 278.262 2.605 20 30 CFEDHM CC[C@@H]1CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000758377930 626590581 /nfs/dbraw/zinc/59/05/81/626590581.db2.gz GSKQHPPRZYZJDV-CQSZACIVSA-N -1 3 294.420 2.715 20 30 CFEDHM C#CCN(Cc1cc(=O)oc2cc([O-])c(CC)cc12)C1CC1 ZINC000763949761 627024586 /nfs/dbraw/zinc/02/45/86/627024586.db2.gz HGDSXGHTEXKPAB-UHFFFAOYSA-N -1 3 297.354 2.659 20 30 CFEDHM Cc1cccc(C)c1C/N=C\c1c([O-])c(C)ncc1CO ZINC000764413916 627058814 /nfs/dbraw/zinc/05/88/14/627058814.db2.gz NQIYZCCNEIMUGW-NVMNQCDNSA-N -1 3 284.359 2.824 20 30 CFEDHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000790604615 627229570 /nfs/dbraw/zinc/22/95/70/627229570.db2.gz TZVMIUSJPRWNNI-SNVBAGLBSA-N -1 3 269.266 2.836 20 30 CFEDHM CC(=NNC[C@H](C)C#N)c1cc(Br)ccc1[O-] ZINC000771106150 627577974 /nfs/dbraw/zinc/57/79/74/627577974.db2.gz BZQVZMFMGDQJAK-MRVPVSSYSA-N -1 3 296.168 2.628 20 30 CFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccn(C)n1 ZINC000773148940 627788981 /nfs/dbraw/zinc/78/89/81/627788981.db2.gz FVQISNXNGMKBLG-FBHKUJJOSA-N -1 3 272.279 2.648 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)sc1C ZINC000774042785 627880816 /nfs/dbraw/zinc/88/08/16/627880816.db2.gz KLDGFXKUTCLHJW-GFCCVEGCSA-N -1 3 299.355 2.721 20 30 CFEDHM Cn1[n-]ccc1=NN=C1CCC(c2ccccc2)CC1 ZINC000774411463 627922025 /nfs/dbraw/zinc/92/20/25/627922025.db2.gz KRQHMKKTVCOSIL-UHFFFAOYSA-N -1 3 268.364 2.968 20 30 CFEDHM COc1ccccc1CC(=NN=c1cc[n-]n1C)C(C)C ZINC000774415247 627922372 /nfs/dbraw/zinc/92/23/72/627922372.db2.gz OCEDOXBWMZAEHC-UHFFFAOYSA-N -1 3 286.379 2.517 20 30 CFEDHM CSc1ccc2c(c1)CCCC2=NN=c1cc[n-]n1C ZINC000774413253 627922491 /nfs/dbraw/zinc/92/24/91/627922491.db2.gz YBVKQKNZFCRHTF-UHFFFAOYSA-N -1 3 286.404 2.716 20 30 CFEDHM CC(=NOC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000774439672 627926141 /nfs/dbraw/zinc/92/61/41/627926141.db2.gz CEMYRAWKCFWLTI-UHFFFAOYSA-N -1 3 269.728 2.965 20 30 CFEDHM COc1cc(C=NOC2CCOCC2)cc(Cl)c1[O-] ZINC000774450536 627928071 /nfs/dbraw/zinc/92/80/71/627928071.db2.gz HXDQMPZDRGUDME-UHFFFAOYSA-N -1 3 285.727 2.584 20 30 CFEDHM N#C[C@@H]1CSCCN1Cc1c([O-])ccc2ccccc21 ZINC000774641754 627944918 /nfs/dbraw/zinc/94/49/18/627944918.db2.gz GHGLBGKXGKZVCS-CYBMUJFWSA-N -1 3 284.384 2.986 20 30 CFEDHM COC[C@H](C)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000777901657 628263139 /nfs/dbraw/zinc/26/31/39/628263139.db2.gz DPMIYNJZCFPNOE-NSHDSACASA-N -1 3 272.348 2.894 20 30 CFEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc([O-])cc1F ZINC000780246964 628444554 /nfs/dbraw/zinc/44/45/54/628444554.db2.gz NDHWEKAZLIZVPL-NSHDSACASA-N -1 3 280.343 2.803 20 30 CFEDHM C=C(Br)COC(=O)c1cc2occc2[n-]1 ZINC000786030892 628931325 /nfs/dbraw/zinc/93/13/25/628931325.db2.gz HSFCWSOQXZGFSA-UHFFFAOYSA-N -1 3 270.082 2.826 20 30 CFEDHM CC[C@@H](C#N)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787828155 629038510 /nfs/dbraw/zinc/03/85/10/629038510.db2.gz ILLUCMLSKHEGBV-NSHDSACASA-N -1 3 265.284 2.699 20 30 CFEDHM C=CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000790722939 629258516 /nfs/dbraw/zinc/25/85/16/629258516.db2.gz CNRJXXQQSJTJLH-CYBMUJFWSA-N -1 3 284.315 2.540 20 30 CFEDHM C#CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790904311 629270563 /nfs/dbraw/zinc/27/05/63/629270563.db2.gz HEYKEHPXLWVZED-AWEZNQCLSA-N -1 3 281.311 2.592 20 30 CFEDHM COCCN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792135863 629401426 /nfs/dbraw/zinc/40/14/26/629401426.db2.gz FKTPMENTNSXCCN-UHFFFAOYSA-N -1 3 298.342 2.548 20 30 CFEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccnc1 ZINC000794928185 629705551 /nfs/dbraw/zinc/70/55/51/629705551.db2.gz WAHHSELXLGOKDP-HWKANZROSA-N -1 3 261.227 2.962 20 30 CFEDHM Cc1nn(C)c(C)c1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794933852 629706943 /nfs/dbraw/zinc/70/69/43/629706943.db2.gz CJUBPSNJBTYPQT-XQRVVYSFSA-N -1 3 292.285 2.917 20 30 CFEDHM CC(N=Nc1cccc(F)n1)c1sccc1[O-] ZINC000795007914 629723360 /nfs/dbraw/zinc/72/33/60/629723360.db2.gz RACGVKVPIZJHBA-UHFFFAOYSA-N -1 3 251.286 2.824 20 30 CFEDHM C=CCC1(C(=O)[N-]OCc2ccccc2OC)CCC1 ZINC000799096317 630274972 /nfs/dbraw/zinc/27/49/72/630274972.db2.gz HSYCLXDKYPHMHP-UHFFFAOYSA-N -1 3 275.348 2.989 20 30 CFEDHM Cc1cccnc1[C@@H]1CCCC(=NN=c2cc[n-]n2C)C1 ZINC000799113469 630276093 /nfs/dbraw/zinc/27/60/93/630276093.db2.gz PCTAQXZYAFIULL-CYBMUJFWSA-N -1 3 283.379 2.671 20 30 CFEDHM Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1C#N ZINC000799697841 630337330 /nfs/dbraw/zinc/33/73/30/630337330.db2.gz LQSLXFVOEVNUTA-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2CCC(F)(F)CC2)c1[O-] ZINC000800721893 630402743 /nfs/dbraw/zinc/40/27/43/630402743.db2.gz UBDTVKNBQAGXTJ-LSCVHKIXSA-N -1 3 298.333 2.832 20 30 CFEDHM C[C@@H](C#N)OCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000801863309 630482165 /nfs/dbraw/zinc/48/21/65/630482165.db2.gz YDJBVNVRTLMQOF-VIFPVBQESA-N -1 3 291.328 2.692 20 30 CFEDHM C=CCO[N-]C(=O)CCc1ccc(C)c(Cl)c1 ZINC000837044295 630943694 /nfs/dbraw/zinc/94/36/94/630943694.db2.gz YOCDDLDGMKSVCA-UHFFFAOYSA-N -1 3 253.729 2.815 20 30 CFEDHM C=CCO[N-]C(=O)C[C@H](CC)c1ccc(OC)cc1 ZINC000837048708 630945905 /nfs/dbraw/zinc/94/59/05/630945905.db2.gz WXNRLCZTBDODBC-LBPRGKRZSA-N -1 3 263.337 2.813 20 30 CFEDHM C=CCO[N-]C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000837049050 630946361 /nfs/dbraw/zinc/94/63/61/630946361.db2.gz XKHSULDVCBFRMR-UHFFFAOYSA-N -1 3 265.275 2.979 20 30 CFEDHM C=C(C)C[C@@H](C)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837638912 631093933 /nfs/dbraw/zinc/09/39/33/631093933.db2.gz BJELZAPUKUTLFQ-SNVBAGLBSA-N -1 3 276.336 2.705 20 30 CFEDHM C=CCO[N-]C(=O)Cc1ccccc1OC1CCCC1 ZINC000837690397 631108768 /nfs/dbraw/zinc/10/87/68/631108768.db2.gz HWXQEAJYNJXIJX-UHFFFAOYSA-N -1 3 275.348 2.784 20 30 CFEDHM CCC1(C/N=C/c2cc(Cl)ccc2[O-])COC1 ZINC000840708720 631175281 /nfs/dbraw/zinc/17/52/81/631175281.db2.gz IQACYMWZTLDWHR-GIDUJCDVSA-N -1 3 253.729 2.891 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CC1=CCOCC1 ZINC000840707930 631175288 /nfs/dbraw/zinc/17/52/88/631175288.db2.gz SWZKTXPKHQFFEW-DHDCSXOGSA-N -1 3 251.713 2.811 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCC2(C)C)c1[O-] ZINC000840707985 631175319 /nfs/dbraw/zinc/17/53/19/631175319.db2.gz ZCXTYQQTPFGTRN-ZLYHGVDXSA-N -1 3 276.380 2.833 20 30 CFEDHM CC1(C)COC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000840710802 631175942 /nfs/dbraw/zinc/17/59/42/631175942.db2.gz UXPUGPWOSLLEOT-FCGPPKDQSA-N -1 3 253.729 2.890 20 30 CFEDHM Cc1cc([O-])c(CNCC2(C#N)CC2)c(Cl)c1 ZINC000840941941 631273374 /nfs/dbraw/zinc/27/33/74/631273374.db2.gz FHAJGTIAGUDWJO-UHFFFAOYSA-N -1 3 250.729 2.747 20 30 CFEDHM Cc1cc([O-])c(C=NNCC(F)(F)F)c(Cl)c1 ZINC000841632252 631437993 /nfs/dbraw/zinc/43/79/93/631437993.db2.gz NKUMIZPFWIKWMG-UHFFFAOYSA-N -1 3 266.650 2.840 20 30 CFEDHM N#Cc1cc([O-])cc(C(=O)OCCc2cccs2)c1 ZINC000811186004 631532580 /nfs/dbraw/zinc/53/25/80/631532580.db2.gz ZCSVJSRNNGWYSK-UHFFFAOYSA-N -1 3 273.313 2.725 20 30 CFEDHM C#CCON=C(C)c1cc(Br)ccc1[O-] ZINC000812232523 631672740 /nfs/dbraw/zinc/67/27/40/631672740.db2.gz BXIIUHKQVAXFSK-UHFFFAOYSA-N -1 3 268.110 2.529 20 30 CFEDHM CC1(C)C[C@]1(C#N)[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000813303483 631897596 /nfs/dbraw/zinc/89/75/96/631897596.db2.gz NDTWIJNXBJYPGS-CQSZACIVSA-N -1 3 278.302 2.673 20 30 CFEDHM CC(C)(C)N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1=O ZINC000843266440 631914291 /nfs/dbraw/zinc/91/42/91/631914291.db2.gz MEAKSTCOCUYSCB-UDPFGDFPSA-N -1 3 294.782 2.864 20 30 CFEDHM C=CCCO[N-]C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000856028015 635702999 /nfs/dbraw/zinc/70/29/99/635702999.db2.gz JVNJAOXAFACPDZ-UONOGXRCSA-N -1 3 277.389 2.757 20 30 CFEDHM C#CC[C@H]1CCCN(C(=O)c2cccc(CC)c2[O-])C1 ZINC000843999331 632091931 /nfs/dbraw/zinc/09/19/31/632091931.db2.gz NVEFWPNBFALOCV-ZDUSSCGKSA-N -1 3 271.360 2.830 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC000856027873 635703057 /nfs/dbraw/zinc/70/30/57/635703057.db2.gz DUEYHVFHJPCMMN-CYBMUJFWSA-N -1 3 281.739 2.925 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC000856027672 635703251 /nfs/dbraw/zinc/70/32/51/635703251.db2.gz VWZZZMZGFLOJFU-UHFFFAOYSA-N -1 3 285.290 2.845 20 30 CFEDHM C#CC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000844005864 632094589 /nfs/dbraw/zinc/09/45/89/632094589.db2.gz TVDNHCZLKPSMGZ-LLVKDONJSA-N -1 3 277.751 2.921 20 30 CFEDHM CC1N=NC(=S)N1N=Cc1ccc2ccccc2c1[O-] ZINC000814724125 632114273 /nfs/dbraw/zinc/11/42/73/632114273.db2.gz POLRSUDJZAMYOV-UHFFFAOYSA-N -1 3 284.344 2.616 20 30 CFEDHM [O-]c1c(C=NNCC(F)F)ccc2ccccc12 ZINC000814854591 632139831 /nfs/dbraw/zinc/13/98/31/632139831.db2.gz NZZHSLNMBOWCEL-UHFFFAOYSA-N -1 3 250.248 2.734 20 30 CFEDHM O=c1ccccn1N=Cc1ccc2ccccc2c1[O-] ZINC000814894058 632152718 /nfs/dbraw/zinc/15/27/18/632152718.db2.gz CBJZKGZHXCTYMT-UHFFFAOYSA-N -1 3 264.284 2.589 20 30 CFEDHM COCCCNN=Cc1ccc2ccccc2c1[O-] ZINC000814920158 632165473 /nfs/dbraw/zinc/16/54/73/632165473.db2.gz CEFANVGXWPPQDV-UHFFFAOYSA-N -1 3 258.321 2.505 20 30 CFEDHM CCCCC1N=NC(=S)N1N=Cc1ccc([O-])cc1F ZINC000844568096 632248774 /nfs/dbraw/zinc/24/87/74/632248774.db2.gz ZDBJWMUSYDEODS-UHFFFAOYSA-N -1 3 294.355 2.636 20 30 CFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C(F)=C1CCCC1 ZINC000815915604 632333167 /nfs/dbraw/zinc/33/31/67/632333167.db2.gz UAXNUALGSDKPFZ-LLVKDONJSA-N -1 3 287.294 2.527 20 30 CFEDHM C=C[C@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(C)(C)C ZINC000816073386 632366200 /nfs/dbraw/zinc/36/62/00/632366200.db2.gz SXFAHPREPRGLPT-NSHDSACASA-N -1 3 265.309 2.559 20 30 CFEDHM CC(C)[C@@H](F)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845846408 632579343 /nfs/dbraw/zinc/57/93/43/632579343.db2.gz TWZXYOBDJUOPCY-ZIAGYGMSSA-N -1 3 287.334 2.990 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCCC(=O)c1cccc(OC)c1 ZINC000846534218 632724095 /nfs/dbraw/zinc/72/40/95/632724095.db2.gz MJVCXRQWZGWMPU-UHFFFAOYSA-N -1 3 291.347 2.672 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000846538609 632727430 /nfs/dbraw/zinc/72/74/30/632727430.db2.gz KIEZELMLWJONKQ-HNNXBMFYSA-N -1 3 276.380 2.693 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@H]1CCOc2ccccc21 ZINC000846539346 632728525 /nfs/dbraw/zinc/72/85/25/632728525.db2.gz UWNKYFDPTSUGMD-GFCCVEGCSA-N -1 3 261.321 2.567 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc(Cl)c1 ZINC000846542739 632730371 /nfs/dbraw/zinc/73/03/71/632730371.db2.gz HQTUVPKRCSHOKP-SNVBAGLBSA-N -1 3 253.729 2.895 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(Cl)c1 ZINC000846542738 632730897 /nfs/dbraw/zinc/73/08/97/632730897.db2.gz HQTUVPKRCSHOKP-JTQLQIEISA-N -1 3 253.729 2.895 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000846544753 632732710 /nfs/dbraw/zinc/73/27/10/632732710.db2.gz CJLDGDGABTWWPL-NEPJUHHUSA-N -1 3 263.337 2.811 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000846545107 632734365 /nfs/dbraw/zinc/73/43/65/632734365.db2.gz DXDTULPBLJWWLL-NUTKFTJISA-N -1 3 271.360 2.903 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000846547475 632735650 /nfs/dbraw/zinc/73/56/50/632735650.db2.gz OOCNKPIEASHOMM-ZBFHGGJFSA-N -1 3 288.391 2.663 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(C)cc1Br ZINC000846553932 632740514 /nfs/dbraw/zinc/74/05/14/632740514.db2.gz GCXSJRSLYFBUAY-SNVBAGLBSA-N -1 3 298.180 2.922 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H](C)Cn1ccc2ccccc21 ZINC000846553034 632741122 /nfs/dbraw/zinc/74/11/22/632741122.db2.gz VZYQVSIWDNMMCT-OLZOCXBDSA-N -1 3 272.348 2.900 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000846556175 632741722 /nfs/dbraw/zinc/74/17/22/632741722.db2.gz YVGDPTATPHXPGL-TZMCWYRMSA-N -1 3 258.321 2.696 20 30 CFEDHM C=CCCCCCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000846758573 632788771 /nfs/dbraw/zinc/78/87/71/632788771.db2.gz PBORUTQKBRAABI-NTCAYCPXSA-N -1 3 284.359 2.634 20 30 CFEDHM CCCCOC(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000106586453 632835850 /nfs/dbraw/zinc/83/58/50/632835850.db2.gz JWFDDGAPSDGKDE-OVCLIPMQSA-N -1 3 269.728 2.808 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCO[C@@H]1CC1(F)F ZINC000849171183 633578839 /nfs/dbraw/zinc/57/88/39/633578839.db2.gz ZBPGWLQPZTWWNQ-PFJSLNBISA-N -1 3 275.682 2.889 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCCC2CCC2)c1[O-] ZINC000849171680 633578936 /nfs/dbraw/zinc/57/89/36/633578936.db2.gz DHEIAKOUZGSQGQ-CXUHLZMHSA-N -1 3 262.353 2.587 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cn(C3CCC3)nn2)ccc1[O-] ZINC000849242957 633588745 /nfs/dbraw/zinc/58/87/45/633588745.db2.gz OFGYSGBJIVPYRY-VURMDHGXSA-N -1 3 299.330 2.613 20 30 CFEDHM CCCn1nccc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000853001869 634872744 /nfs/dbraw/zinc/87/27/44/634872744.db2.gz BNXYHIKEZODMHT-FNORWQNLSA-N -1 3 286.331 2.903 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCC[C@@H](O)c1ccccc1 ZINC000855026939 635445344 /nfs/dbraw/zinc/44/53/44/635445344.db2.gz UJDSGWFGFPPPEM-GXTWGEPZSA-N -1 3 263.337 2.513 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000855439069 635552378 /nfs/dbraw/zinc/55/23/78/635552378.db2.gz UVXLJZOPPDIKKB-NSHDSACASA-N -1 3 289.331 2.549 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000856028352 635704416 /nfs/dbraw/zinc/70/44/16/635704416.db2.gz RHKQERKUICMVNK-UHFFFAOYSA-N -1 3 258.321 2.724 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1cc(Cl)ccc1OC ZINC000856029203 635704398 /nfs/dbraw/zinc/70/43/98/635704398.db2.gz DCXSLQUMRBKUEE-UHFFFAOYSA-N -1 3 269.728 2.515 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000856029923 635705047 /nfs/dbraw/zinc/70/50/47/635705047.db2.gz IVASBTZJUFXQNQ-UHFFFAOYSA-N -1 3 258.321 2.643 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000856031838 635706307 /nfs/dbraw/zinc/70/63/07/635706307.db2.gz ABLBBGIGVVDVCN-LLVKDONJSA-N -1 3 279.311 2.659 20 30 CFEDHM C#CCCN(CCOC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000856389276 635803252 /nfs/dbraw/zinc/80/32/52/635803252.db2.gz KEFVWVNBGYNCFJ-UHFFFAOYSA-N -1 3 289.375 2.628 20 30 CFEDHM N#CC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000857089068 635928060 /nfs/dbraw/zinc/92/80/60/635928060.db2.gz MOVMAZIKPWEIDA-UHFFFAOYSA-N -1 3 298.264 2.787 20 30 CFEDHM C#C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(C)C ZINC000857211957 635947663 /nfs/dbraw/zinc/94/76/63/635947663.db2.gz FUKYPCXUZCKGAZ-LBPRGKRZSA-N -1 3 285.265 2.799 20 30 CFEDHM Cc1nccc(C/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000048627819 650273744 /nfs/dbraw/zinc/27/37/44/650273744.db2.gz XQFBQSNQLYWNAU-VIZOYTHASA-N -1 3 261.712 2.763 20 30 CFEDHM CC[C@@H](C#N)OC(=O)c1cc([O-])cc(Br)c1 ZINC000860202781 636826519 /nfs/dbraw/zinc/82/65/19/636826519.db2.gz YCUNKVJHWBTQCW-JTQLQIEISA-N -1 3 284.109 2.614 20 30 CFEDHM C[C@H](C#N)CN(C)Cc1c([O-])cccc1Br ZINC000862227306 637292239 /nfs/dbraw/zinc/29/22/39/637292239.db2.gz AHWVULNBGIWIBP-SECBINFHSA-N -1 3 283.169 2.746 20 30 CFEDHM CC[C@@H](C)NN=Cc1c([O-])cccc1Br ZINC000863107634 637557935 /nfs/dbraw/zinc/55/79/35/637557935.db2.gz XFVQYSLIFUUNOS-MRVPVSSYSA-N -1 3 271.158 2.877 20 30 CFEDHM C=CCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000189229292 650369339 /nfs/dbraw/zinc/36/93/39/650369339.db2.gz IWXWPLKEEUPEFV-UHFFFAOYSA-N -1 3 285.299 2.915 20 30 CFEDHM N#Cc1cc([O-])ccc1-c1csc(O[C@@H]2CCOC2)n1 ZINC000863975638 637827568 /nfs/dbraw/zinc/82/75/68/637827568.db2.gz VZXQQUFYWHYRAB-LLVKDONJSA-N -1 3 288.328 2.555 20 30 CFEDHM Cc1nc(CN[C@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866238714 638777346 /nfs/dbraw/zinc/77/73/46/638777346.db2.gz MZZMLKSQEYFDQO-SECBINFHSA-N -1 3 273.361 2.880 20 30 CFEDHM CC(C)c1nnc([C@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])[nH]1 ZINC000866312153 638795374 /nfs/dbraw/zinc/79/53/74/638795374.db2.gz LIEAANXIMFNFAR-QWRGUYRKSA-N -1 3 299.378 2.917 20 30 CFEDHM CC(C)(C)C(=O)NCC/N=C/c1cc(Cl)ccc1[O-] ZINC000195331443 650746861 /nfs/dbraw/zinc/74/68/61/650746861.db2.gz VPHPZNWBSJOGHJ-CXUHLZMHSA-N -1 3 282.771 2.627 20 30 CFEDHM N#Cc1c(F)ccc(C=C2SC(=O)[N-]C2=O)c1Cl ZINC000874928951 642554781 /nfs/dbraw/zinc/55/47/81/642554781.db2.gz UMJVXRSOJLNIJL-FPYGCLRLSA-N -1 3 282.683 2.675 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CC(C)(C)OC1(C)C 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Cc1noc(C(C)C)c1[N-]C(=O)c1coc(C#N)c1 ZINC000928780283 648952334 /nfs/dbraw/zinc/95/23/34/648952334.db2.gz KZUSHYPEQJXMNC-UHFFFAOYSA-N -1 3 259.265 2.823 20 30 CFEDHM C/C(=N\C#N)N(C)Cc1ccc(-c2cccc([O-])c2F)nc1 ZINC001243543119 782264179 /nfs/dbraw/zinc/26/41/79/782264179.db2.gz OKYQIXSTXOTIHQ-RGVLZGJSSA-N -1 3 298.321 2.925 20 30 CFEDHM C=CCN(CC(=O)[O-])Cc1cc(F)cc(Cl)c1 ZINC000161398747 778631347 /nfs/dbraw/zinc/63/13/47/778631347.db2.gz LCLRSJMVPMCFGT-UHFFFAOYSA-N -1 3 257.692 2.552 20 30 CFEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000128137696 778483168 /nfs/dbraw/zinc/48/31/68/778483168.db2.gz JCHWYUCTYWBXBG-LBPRGKRZSA-N -1 3 268.272 2.549 20 30 CFEDHM COc1cccc(C#N)c1Nc1ccc([O-])c(C#N)c1 ZINC001210532283 770306029 /nfs/dbraw/zinc/30/60/29/770306029.db2.gz FJLCCRLUOLUPLG-UHFFFAOYSA-N -1 3 265.272 2.888 20 30 CFEDHM COc1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)c([O-])c1 ZINC001211330325 770484730 /nfs/dbraw/zinc/48/47/30/770484730.db2.gz RHTDKSNUPUCUFE-UHFFFAOYSA-N -1 3 285.259 2.924 20 30 CFEDHM N#C[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1 ZINC001225341560 775418920 /nfs/dbraw/zinc/41/89/20/775418920.db2.gz BGQVNSAVZZXAKF-INIZCTEOSA-N -1 3 265.268 2.905 20 30 CFEDHM Cc1cc(=O)c(C#N)c(OC[C@H]2CCc3ccccc3O2)[n-]1 ZINC001225467497 775467044 /nfs/dbraw/zinc/46/70/44/775467044.db2.gz RSVGOMLMFWJYMJ-CYBMUJFWSA-N -1 3 296.326 2.740 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCCc3cccnc32)[n-]1 ZINC001225467479 775467541 /nfs/dbraw/zinc/46/75/41/775467541.db2.gz REYGCBNQBOCYFT-CQSZACIVSA-N -1 3 281.315 2.819 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccnc2F)[n-]1 ZINC001225469112 775468372 /nfs/dbraw/zinc/46/83/72/775468372.db2.gz HBDNFMZPOSUFPF-SECBINFHSA-N -1 3 273.267 2.641 20 30 CFEDHM C#C[C@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225468859 775468653 /nfs/dbraw/zinc/46/86/53/775468653.db2.gz FFHKZSGYLQSDNY-HNNXBMFYSA-N -1 3 264.284 2.721 20 30 CFEDHM Cc1cc(=O)c(C#N)c(OC[C@H](C)Oc2ccccc2)[n-]1 ZINC001225469644 775468846 /nfs/dbraw/zinc/46/88/46/775468846.db2.gz MQSATMQZMKMBIN-LBPRGKRZSA-N -1 3 284.315 2.814 20 30 CFEDHM C=CC[C@H](C=C)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225577026 775507577 /nfs/dbraw/zinc/50/75/77/775507577.db2.gz QXKCUYKFSVAPGV-ZETCQYMHSA-N -1 3 260.215 2.711 20 30 CFEDHM Cc1c(O[C@@H](C)c2ccccc2C#N)nc[n-]c1=O ZINC001226075573 775690944 /nfs/dbraw/zinc/69/09/44/775690944.db2.gz IAXTVRPTCHLZNW-JTQLQIEISA-N -1 3 255.277 2.502 20 30 CFEDHM C#C[C@@H](CCCC)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226260979 775758651 /nfs/dbraw/zinc/75/86/51/775758651.db2.gz IGPCUISHAFJRJR-LBPRGKRZSA-N -1 3 286.331 2.920 20 30 CFEDHM C#C[C@H](CC(C)C)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226261622 775761177 /nfs/dbraw/zinc/76/11/77/775761177.db2.gz UOCGALKSODBHIH-GFCCVEGCSA-N -1 3 286.331 2.776 20 30 CFEDHM C#CC[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531709 775862099 /nfs/dbraw/zinc/86/20/99/775862099.db2.gz FPMPQMVBGCNABA-NSHDSACASA-N -1 3 272.300 2.988 20 30 CFEDHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)[C@H](C)S ZINC001226599870 775887433 /nfs/dbraw/zinc/88/74/33/775887433.db2.gz PFHQOSHAVCLCHH-SFYZADRCSA-N -1 3 266.318 2.584 20 30 CFEDHM C=CC[C@@H](Oc1[n-]c(=O)nc2nccnc21)c1ccccc1 ZINC001226990683 776051413 /nfs/dbraw/zinc/05/14/13/776051413.db2.gz ZYNQVZPJVGHIOF-GFCCVEGCSA-N -1 3 294.314 2.822 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000397840184 776057826 /nfs/dbraw/zinc/05/78/26/776057826.db2.gz PGCYCTVGPXJVFY-LBPRGKRZSA-N -1 3 258.321 2.510 20 30 CFEDHM C[C@@H]1c2cnccc2C[C@@H]1Oc1cc(C#N)ccc1[O-] ZINC001227348862 776182077 /nfs/dbraw/zinc/18/20/77/776182077.db2.gz DBGYMVKNSLTXPT-BMIGLBTASA-N -1 3 266.300 2.766 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001227347044 776182109 /nfs/dbraw/zinc/18/21/09/776182109.db2.gz ZKEMUGIBUUGQTR-AWEZNQCLSA-N -1 3 296.282 2.718 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616389 776245771 /nfs/dbraw/zinc/24/57/71/776245771.db2.gz OZAYUOFLMXDQHW-VIFPVBQESA-N -1 3 288.376 2.625 20 30 CFEDHM C=C[C@@H](CCC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691881 776259508 /nfs/dbraw/zinc/25/95/08/776259508.db2.gz RPAPPTUUHWQUOE-QMMMGPOBSA-N -1 3 262.269 2.600 20 30 CFEDHM C#C[C@H](Oc1nc2cc(C(=O)OCC)ccc2[n-]1)C(C)C ZINC001227706865 776264126 /nfs/dbraw/zinc/26/41/26/776264126.db2.gz LIMHFXISTXBHBB-AWEZNQCLSA-N -1 3 286.331 2.776 20 30 CFEDHM CCC#C[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746763 776276630 /nfs/dbraw/zinc/27/66/30/776276630.db2.gz UHNGHCDLSQNIJT-SECBINFHSA-N -1 3 259.265 2.652 20 30 CFEDHM CCC#C[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746763 776276634 /nfs/dbraw/zinc/27/66/34/776276634.db2.gz UHNGHCDLSQNIJT-SECBINFHSA-N -1 3 259.265 2.652 20 30 CFEDHM C#C[C@H](CCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746769 776278972 /nfs/dbraw/zinc/27/89/72/776278972.db2.gz UIEPRMSZMWIXPB-SNVBAGLBSA-N -1 3 259.265 2.652 20 30 CFEDHM C#C[C@H](CCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746769 776278983 /nfs/dbraw/zinc/27/89/83/776278983.db2.gz UIEPRMSZMWIXPB-SNVBAGLBSA-N -1 3 259.265 2.652 20 30 CFEDHM C=CC[C@@H](Oc1nc(C(=O)OC)ccc1[O-])C(C)C ZINC001227826304 776300607 /nfs/dbraw/zinc/30/06/07/776300607.db2.gz RDVUTZYEZGMKEU-GFCCVEGCSA-N -1 3 265.309 2.553 20 30 CFEDHM CCC#C[C@H](C)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228077858 776387987 /nfs/dbraw/zinc/38/79/87/776387987.db2.gz BNGNFLTVSGEWHT-JTQLQIEISA-N -1 3 290.315 2.858 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673319 776562420 /nfs/dbraw/zinc/56/24/20/776562420.db2.gz FWGGBBIBWAAYRF-YGRLFVJLSA-N -1 3 285.303 2.960 20 30 CFEDHM Cc1cc2[n-]c(O[C@@H]3CC[C@H](C#N)C3)nc2cc1[N+](=O)[O-] ZINC001228672682 776562714 /nfs/dbraw/zinc/56/27/14/776562714.db2.gz YXXYGXYYIJHTBD-VHSXEESVSA-N -1 3 286.291 2.851 20 30 CFEDHM C=C[C@H](CCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697007 776570670 /nfs/dbraw/zinc/57/06/70/776570670.db2.gz DDPNUHJNLZIZIY-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@H](CCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697007 776570675 /nfs/dbraw/zinc/57/06/75/776570675.db2.gz DDPNUHJNLZIZIY-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@H](CCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697007 776570682 /nfs/dbraw/zinc/57/06/82/776570682.db2.gz DDPNUHJNLZIZIY-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@@H](CCCC)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697008 776571060 /nfs/dbraw/zinc/57/10/60/776571060.db2.gz DDPNUHJNLZIZIY-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@@H](CCCC)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697008 776571066 /nfs/dbraw/zinc/57/10/66/776571066.db2.gz DDPNUHJNLZIZIY-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@@H](CCCC)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228697008 776571069 /nfs/dbraw/zinc/57/10/69/776571069.db2.gz DDPNUHJNLZIZIY-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700663 776575711 /nfs/dbraw/zinc/57/57/11/776575711.db2.gz VHOGVGPZOJBMFV-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C=C1O[C@H](CC)C(=O)C1Oc1cc2c(cc1[O-])CCC2=O ZINC001228853331 776635268 /nfs/dbraw/zinc/63/52/68/776635268.db2.gz HMJHBXGXQVOPFF-CYBMUJFWSA-N -1 3 288.299 2.509 20 30 CFEDHM C#CC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099470 776716311 /nfs/dbraw/zinc/71/63/11/776716311.db2.gz KMEOYZZDIZTSGW-SSDOTTSWSA-N -1 3 271.110 2.651 20 30 CFEDHM C[C@@H](CS)Oc1cccc([O-])c1Br ZINC001229142458 776732410 /nfs/dbraw/zinc/73/24/10/776732410.db2.gz OSNTYBSMVACUFI-LURJTMIESA-N -1 3 263.156 2.852 20 30 CFEDHM C=C[C@H](CCCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229343434 776785671 /nfs/dbraw/zinc/78/56/71/776785671.db2.gz YZQUKQXYVXXKRO-GFCCVEGCSA-N -1 3 288.351 2.999 20 30 CFEDHM C=C[C@H](CCCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229343434 776785676 /nfs/dbraw/zinc/78/56/76/776785676.db2.gz YZQUKQXYVXXKRO-GFCCVEGCSA-N -1 3 288.351 2.999 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccccc1-c1nnn[n-]1 ZINC001229951091 776922501 /nfs/dbraw/zinc/92/25/01/776922501.db2.gz PPJJXUZRHHIBRJ-LBPRGKRZSA-N -1 3 282.347 2.850 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccccc1-c1nn[n-]n1 ZINC001229951091 776922508 /nfs/dbraw/zinc/92/25/08/776922508.db2.gz PPJJXUZRHHIBRJ-LBPRGKRZSA-N -1 3 282.347 2.850 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1ccccc1-c1nnn[n-]1 ZINC001229951724 776923490 /nfs/dbraw/zinc/92/34/90/776923490.db2.gz UNOSFQWHMWJXMZ-SECBINFHSA-N -1 3 278.381 2.733 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1ccccc1-c1nn[n-]n1 ZINC001229951724 776923494 /nfs/dbraw/zinc/92/34/94/776923494.db2.gz UNOSFQWHMWJXMZ-SECBINFHSA-N -1 3 278.381 2.733 20 30 CFEDHM C=CCC(CC=C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230790171 777065711 /nfs/dbraw/zinc/06/57/11/777065711.db2.gz IDMPQLJGBIPKGR-UHFFFAOYSA-N -1 3 264.350 2.730 20 30 CFEDHM N#CC1CC(Oc2nc(=O)[n-]cc2-c2ccccc2)C1 ZINC001230973365 777105337 /nfs/dbraw/zinc/10/53/37/777105337.db2.gz GXSADNBJSJIQNQ-UHFFFAOYSA-N -1 3 267.288 2.530 20 30 CFEDHM N#C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001231121585 777148884 /nfs/dbraw/zinc/14/88/84/777148884.db2.gz MPMJGEOEXGUWSA-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001231121585 777148887 /nfs/dbraw/zinc/14/88/87/777148887.db2.gz MPMJGEOEXGUWSA-AWEZNQCLSA-N -1 3 295.277 2.649 20 30 CFEDHM CCC[C@H](Oc1nccc(/C=N/[O-])n1)[C@H](C)CC ZINC001226257022 777489665 /nfs/dbraw/zinc/48/96/65/777489665.db2.gz XQJUZEBCFCQTEV-MGWVCDIQSA-N -1 3 251.330 2.878 20 30 CFEDHM CN(Cc1ccsc1)Cc1cc(C#N)ccc1[O-] ZINC001232679136 777639961 /nfs/dbraw/zinc/63/99/61/777639961.db2.gz DVYPUFBICJNDAK-UHFFFAOYSA-N -1 3 258.346 2.957 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077888 777789160 /nfs/dbraw/zinc/78/91/60/777789160.db2.gz BLVXDYVWXWEWMA-SNVBAGLBSA-N -1 3 266.291 2.796 20 30 CFEDHM C#C[C@@H]1CCC[C@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584830 777855206 /nfs/dbraw/zinc/85/52/06/777855206.db2.gz VQCYUBJPFLMHCW-PSASIEDQSA-N -1 3 271.238 2.987 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335379 777894833 /nfs/dbraw/zinc/89/48/33/777894833.db2.gz SJUXNSPVMMZQPQ-SNVBAGLBSA-N -1 3 266.291 2.796 20 30 CFEDHM N#Cc1ccc(CN2CCCC(F)(F)[C@H](F)C2)c([O-])c1 ZINC001233383499 777926656 /nfs/dbraw/zinc/92/66/56/777926656.db2.gz KJHWYMAIXZWIDZ-CYBMUJFWSA-N -1 3 284.281 2.833 20 30 CFEDHM COc1ccc(CN2CC[C@](C)(C#N)C2)c(Cl)c1[O-] ZINC001233401452 777939085 /nfs/dbraw/zinc/93/90/85/777939085.db2.gz ABPFHILCALNBGX-CQSZACIVSA-N -1 3 280.755 2.790 20 30 CFEDHM CC1(C)CC(=O)CC[C@@H]1Oc1cc([O-])cc(C#N)c1 ZINC001234144108 778174212 /nfs/dbraw/zinc/17/42/12/778174212.db2.gz JFUAJHMCGLCSOW-AWEZNQCLSA-N -1 3 259.305 2.790 20 30 CFEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])cc(C#N)c1 ZINC001234140906 778174505 /nfs/dbraw/zinc/17/45/05/778174505.db2.gz LRDIFZOSKBIDNB-ZDUSSCGKSA-N -1 3 289.331 2.929 20 30 CFEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ncccc1F ZINC001234144537 778174991 /nfs/dbraw/zinc/17/49/91/778174991.db2.gz PNVPSIVCZYLJHE-VIFPVBQESA-N -1 3 258.252 2.938 20 30 CFEDHM C#CC(C#C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959503 778214750 /nfs/dbraw/zinc/21/47/50/778214750.db2.gz CCPCXKPLJUMTGC-UHFFFAOYSA-N -1 3 256.301 2.732 20 30 CFEDHM C=C[C@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234790701 778295605 /nfs/dbraw/zinc/29/56/05/778295605.db2.gz JGCIBCKFDJKZKW-QMMMGPOBSA-N -1 3 250.294 2.865 20 30 CFEDHM C#C[C@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)C(C)C ZINC001234792591 778298515 /nfs/dbraw/zinc/29/85/15/778298515.db2.gz DPOWFKBYIMRRKS-ZDUSSCGKSA-N -1 3 276.332 2.948 20 30 CFEDHM C=C[C@@H](CC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234906417 778326453 /nfs/dbraw/zinc/32/64/53/778326453.db2.gz OGUIYJBWWIBYQM-QMMMGPOBSA-N -1 3 252.339 2.564 20 30 CFEDHM COc1ccc(C#N)cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001236546872 778873450 /nfs/dbraw/zinc/87/34/50/778873450.db2.gz OMLILKQTKMSKPM-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1ccc(C#N)cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001236546872 778873456 /nfs/dbraw/zinc/87/34/56/778873456.db2.gz OMLILKQTKMSKPM-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM N#Cc1cnc(-c2cncc([O-])c2)c2sccc21 ZINC001236577584 778882176 /nfs/dbraw/zinc/88/21/76/778882176.db2.gz IVLLMVTVQFFNIC-UHFFFAOYSA-N -1 3 253.286 2.936 20 30 CFEDHM N#Cc1ccc2c(c1)CN(Cc1cc([O-])cc(F)c1)CC2 ZINC001237278280 779065433 /nfs/dbraw/zinc/06/54/33/779065433.db2.gz WESAGYNHVCGYLN-UHFFFAOYSA-N -1 3 282.318 2.961 20 30 CFEDHM N#Cc1ccccc1OC1CN(Cc2cc([O-])cc(F)c2)C1 ZINC001237287701 779069622 /nfs/dbraw/zinc/06/96/22/779069622.db2.gz UMVVOFKQNBPNIS-UHFFFAOYSA-N -1 3 298.317 2.666 20 30 CFEDHM C=CCCO[N-]C(=O)CCCCC(=O)OC(C)(C)C ZINC001168627814 780124054 /nfs/dbraw/zinc/12/40/54/780124054.db2.gz XKGJHSPYWVXQHS-UHFFFAOYSA-N -1 3 271.357 2.512 20 30 CFEDHM N#Cc1c[nH]c2cc(-c3ccc([O-])c(F)c3)cnc12 ZINC001240787818 780442293 /nfs/dbraw/zinc/44/22/93/780442293.db2.gz RRLITNMAJHQGQH-UHFFFAOYSA-N -1 3 253.236 2.946 20 30 CFEDHM [O-]/N=C1/CCc2cc(-c3cnn4cccnc34)ccc21 ZINC001240936164 780534534 /nfs/dbraw/zinc/53/45/34/780534534.db2.gz GCJZPWCCMUTSTD-JXAWBTAJSA-N -1 3 264.288 2.521 20 30 CFEDHM N#Cc1cnc2ccc(-c3cc([O-])cc(F)c3)cn12 ZINC001241271771 780748039 /nfs/dbraw/zinc/74/80/39/780748039.db2.gz SNFJNHYSMBPFNI-UHFFFAOYSA-N -1 3 253.236 2.718 20 30 CFEDHM N#Cc1c(F)cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444951 780895213 /nfs/dbraw/zinc/89/52/13/780895213.db2.gz ZYKNANYYCCLGMT-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1c(F)cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444951 780895223 /nfs/dbraw/zinc/89/52/23/780895223.db2.gz ZYKNANYYCCLGMT-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#CCCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143203107 780922720 /nfs/dbraw/zinc/92/27/20/780922720.db2.gz PCDHKNUFCOEVPJ-UHFFFAOYSA-N -1 3 289.722 2.514 20 30 CFEDHM CCOc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001241553390 780975172 /nfs/dbraw/zinc/97/51/72/780975172.db2.gz OJGZIWXAMPXHLQ-JXAWBTAJSA-N -1 3 269.304 2.667 20 30 CFEDHM C#CC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000709556611 781313228 /nfs/dbraw/zinc/31/32/28/781313228.db2.gz UOIYJEBCVHFUTO-UHFFFAOYSA-N -1 3 263.724 2.531 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001242316607 781395061 /nfs/dbraw/zinc/39/50/61/781395061.db2.gz NZMSRZYFXLZARU-UHFFFAOYSA-N -1 3 268.320 2.639 20 30 CFEDHM CC1(C)CC(=O)C=C(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001242316607 781395070 /nfs/dbraw/zinc/39/50/70/781395070.db2.gz NZMSRZYFXLZARU-UHFFFAOYSA-N -1 3 268.320 2.639 20 30 CFEDHM Cc1ncc(-c2ccc3c(c2)CC/C3=N/[O-])cc1N ZINC001242412009 781476808 /nfs/dbraw/zinc/47/68/08/781476808.db2.gz AHQBJCVSQSXYPR-SDXDJHTJSA-N -1 3 253.305 2.764 20 30 CFEDHM Cc1ccc(C#N)cc1-c1cccc(-c2nnn[n-]2)c1 ZINC001242542337 781581474 /nfs/dbraw/zinc/58/14/74/781581474.db2.gz FNTCXQYDUIJPPV-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(C#N)cc1-c1cccc(-c2nn[n-]n2)c1 ZINC001242542337 781581482 /nfs/dbraw/zinc/58/14/82/781581482.db2.gz FNTCXQYDUIJPPV-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM COC(=O)c1nc2nc(-c3cc(C#N)ccc3C)ccc2[n-]1 ZINC001242542285 781581879 /nfs/dbraw/zinc/58/18/79/781581879.db2.gz CEMUZDFZJSMPHL-UHFFFAOYSA-N -1 3 292.298 2.592 20 30 CFEDHM COC(=O)c1nc2ccc(-c3cc(C#N)ccc3C)[n-]c-2n1 ZINC001242542285 781581880 /nfs/dbraw/zinc/58/18/80/781581880.db2.gz CEMUZDFZJSMPHL-UHFFFAOYSA-N -1 3 292.298 2.592 20 30 CFEDHM COC(=O)c1nc2ccc(-c3cc(C#N)ccc3C)nc2[n-]1 ZINC001242542285 781581888 /nfs/dbraw/zinc/58/18/88/781581888.db2.gz CEMUZDFZJSMPHL-UHFFFAOYSA-N -1 3 292.298 2.592 20 30 CFEDHM COCCOc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242564686 781604036 /nfs/dbraw/zinc/60/40/36/781604036.db2.gz NKRAREAASJWOCM-UHFFFAOYSA-N -1 3 269.300 2.956 20 30 CFEDHM N#Cc1cc(F)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001242585120 781617683 /nfs/dbraw/zinc/61/76/83/781617683.db2.gz HGYUWTDTYXACIN-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1cc(F)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001242585120 781617687 /nfs/dbraw/zinc/61/76/87/781617687.db2.gz HGYUWTDTYXACIN-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242716736 781717489 /nfs/dbraw/zinc/71/74/89/781717489.db2.gz GBFRMAIMWGPQJH-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM N#Cc1ccccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242716736 781717492 /nfs/dbraw/zinc/71/74/92/781717492.db2.gz GBFRMAIMWGPQJH-UHFFFAOYSA-N -1 3 265.251 2.544 20 30 CFEDHM [O-]/N=C/c1ccc(F)c(-c2cnn3ccccc23)c1 ZINC001242968122 781888196 /nfs/dbraw/zinc/88/81/96/781888196.db2.gz SBDDVEMKZFTCNG-CAOOACKPSA-N -1 3 255.252 2.949 20 30 CFEDHM C=CCC(F)(F)C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000294972028 199276618 /nfs/dbraw/zinc/27/66/18/199276618.db2.gz NZDJAJHMZZCQSN-UHFFFAOYSA-N -1 3 282.250 2.523 20 30 CFEDHM C=CCC(F)(F)C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000294972028 199276620 /nfs/dbraw/zinc/27/66/20/199276620.db2.gz NZDJAJHMZZCQSN-UHFFFAOYSA-N -1 3 282.250 2.523 20 30 CFEDHM C=CCC(F)(F)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000294972028 199276621 /nfs/dbraw/zinc/27/66/21/199276621.db2.gz NZDJAJHMZZCQSN-UHFFFAOYSA-N -1 3 282.250 2.523 20 30 CFEDHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)[C@@H](C)C#N ZINC000595817527 349740868 /nfs/dbraw/zinc/74/08/68/349740868.db2.gz KTSVNVJMOFDNHP-LBPRGKRZSA-N -1 3 282.347 2.583 20 30 CFEDHM CC(C)C[C@@H](CCO)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596144882 349808293 /nfs/dbraw/zinc/80/82/93/349808293.db2.gz KYMFPRBMRYTPTA-SECBINFHSA-N -1 3 287.816 2.547 20 30 CFEDHM CCOC(=O)N[C@H](C/N=C\c1ccccc1[O-])CC(C)C ZINC000255521960 539474333 /nfs/dbraw/zinc/47/43/33/539474333.db2.gz AEKCADKDLGERMM-XGHPXPSOSA-N -1 3 292.379 2.972 20 30 CFEDHM Cc1ncc(CO)c(/C=N/c2ccc3c(c2)CCC3)c1[O-] ZINC000005110744 346210283 /nfs/dbraw/zinc/21/02/83/346210283.db2.gz OYZNJFFTCYMOJD-DJKKODMXSA-N -1 3 282.343 2.827 20 30 CFEDHM N#CCc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000045012401 346401835 /nfs/dbraw/zinc/40/18/35/346401835.db2.gz FKLFIIRSMMCSJE-UHFFFAOYSA-N -1 3 252.273 2.711 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)nc(C)n1 ZINC000049408081 346483195 /nfs/dbraw/zinc/48/31/95/346483195.db2.gz BJVCWXDEIOUYNY-CYBMUJFWSA-N -1 3 297.362 2.535 20 30 CFEDHM N#CC1(CNC2CCC(C(=O)[O-])CC2)CCCCC1 ZINC000596658165 349970029 /nfs/dbraw/zinc/97/00/29/349970029.db2.gz YICXMENKRDIDKV-UHFFFAOYSA-N -1 3 264.369 2.693 20 30 CFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000050336838 346493260 /nfs/dbraw/zinc/49/32/60/346493260.db2.gz UPMUWFKHQPWEDY-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c([O-])c1 ZINC000078359452 347245828 /nfs/dbraw/zinc/24/58/28/347245828.db2.gz OGFNQIFWWOBREP-LBPRGKRZSA-N -1 3 296.326 2.978 20 30 CFEDHM N#Cc1csc(C(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC000084060141 347456370 /nfs/dbraw/zinc/45/63/70/347456370.db2.gz LTIXIKZJWNYMNV-UHFFFAOYSA-N -1 3 276.346 2.601 20 30 CFEDHM CCC[C@@H](C#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094079728 347690568 /nfs/dbraw/zinc/69/05/68/347690568.db2.gz LPUFVWALMWPQHO-NSHDSACASA-N -1 3 288.347 2.528 20 30 CFEDHM Cc1cc(CC(=O)N[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000671997333 539580228 /nfs/dbraw/zinc/58/02/28/539580228.db2.gz SDNMGYVDTHNHON-UHFFFAOYSA-N -1 3 272.348 2.759 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000128743767 187388226 /nfs/dbraw/zinc/38/82/26/187388226.db2.gz LTDAULURYSMMFU-UHFFFAOYSA-N -1 3 272.352 2.776 20 30 CFEDHM C=CCN(CC)c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000368180059 348515825 /nfs/dbraw/zinc/51/58/25/348515825.db2.gz XSLTVXCBHWSYED-UHFFFAOYSA-N -1 3 284.363 2.819 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCCCC2 ZINC000404756988 348595106 /nfs/dbraw/zinc/59/51/06/348595106.db2.gz PIMZFFYNSMFWLM-OAHLLOKOSA-N -1 3 292.404 2.999 20 30 CFEDHM C=CC1CCN(C(=O)c2cccc(CC)c2[O-])CC1 ZINC000531432010 348649341 /nfs/dbraw/zinc/64/93/41/348649341.db2.gz WTBZQYKUNZSGJE-UHFFFAOYSA-N -1 3 259.349 2.993 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2cccc(C#N)n2)c1[O-] ZINC000589423872 348831908 /nfs/dbraw/zinc/83/19/08/348831908.db2.gz GWHANJNXXMHCLD-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM C[C@@H]1CCN(C(=O)c2cccc(C#N)n2)c2c([O-])cccc21 ZINC000589847796 348861322 /nfs/dbraw/zinc/86/13/22/348861322.db2.gz BFHHRRQLSBHYLI-LLVKDONJSA-N -1 3 293.326 2.813 20 30 CFEDHM CC(C)(C#N)c1ccc(NC(=O)Cc2cncc([O-])c2)cc1 ZINC000590419577 348899538 /nfs/dbraw/zinc/89/95/38/348899538.db2.gz 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ZINC000362531972 382132087 /nfs/dbraw/zinc/13/20/87/382132087.db2.gz HDOZMEGLIOVAHR-UHFFFAOYSA-N -1 3 298.302 2.954 20 30 CFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncc(F)c1 ZINC000346229840 382337379 /nfs/dbraw/zinc/33/73/79/382337379.db2.gz WLJXEQFLDAENLI-LBPRGKRZSA-N -1 3 294.289 2.597 20 30 CFEDHM C=CCC(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000293834956 382297678 /nfs/dbraw/zinc/29/76/78/382297678.db2.gz XPQDZPGYJTVFBM-UHFFFAOYSA-N -1 3 251.301 2.750 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000353157991 382502358 /nfs/dbraw/zinc/50/23/58/382502358.db2.gz YLTFNUZZIRMBJY-JTQLQIEISA-N -1 3 275.320 2.598 20 30 CFEDHM N#Cc1ccc(/C=C\C(=O)[N-]OC2CCCC2)cc1 ZINC000311276560 382502929 /nfs/dbraw/zinc/50/29/29/382502929.db2.gz IGVKYHOJPMFTSH-KTKRTIGZSA-N -1 3 256.305 2.562 20 30 CFEDHM C[C@H](CCC1CC1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328663951 382561772 /nfs/dbraw/zinc/56/17/72/382561772.db2.gz YFWKXDLWOPKTGB-MRVPVSSYSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@H](CCC1CC1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328663951 382561778 /nfs/dbraw/zinc/56/17/78/382561778.db2.gz YFWKXDLWOPKTGB-MRVPVSSYSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@H](CCC1CC1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328663951 382561787 /nfs/dbraw/zinc/56/17/87/382561787.db2.gz YFWKXDLWOPKTGB-MRVPVSSYSA-N -1 3 276.315 2.980 20 30 CFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000680617201 542342683 /nfs/dbraw/zinc/34/26/83/542342683.db2.gz HZNADVMSTZNGRQ-AWEZNQCLSA-N -1 3 281.315 2.754 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2cccc(C#N)c2)n1 ZINC000192528278 382709974 /nfs/dbraw/zinc/70/99/74/382709974.db2.gz CMGLFNBKWXCDBS-LBPRGKRZSA-N -1 3 282.347 2.555 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cncc2ccccc21 ZINC000537838030 382958522 /nfs/dbraw/zinc/95/85/22/382958522.db2.gz WSMVHWHJXHFHHL-UHFFFAOYSA-N -1 3 262.334 2.553 20 30 CFEDHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000442835883 382959835 /nfs/dbraw/zinc/95/98/35/382959835.db2.gz ZEEDPALYLRFBOU-QWRGUYRKSA-N -1 3 298.383 2.800 20 30 CFEDHM C=CCCCN(C)Cc1cc(C(=O)[O-])oc1CC ZINC000565108159 383175752 /nfs/dbraw/zinc/17/57/52/383175752.db2.gz VGSGLTDMFNAFBC-UHFFFAOYSA-N -1 3 251.326 2.938 20 30 CFEDHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1C#N ZINC000339116579 383155005 /nfs/dbraw/zinc/15/50/05/383155005.db2.gz RKYHLHUCWFHISD-GQCTYLIASA-N -1 3 267.288 2.541 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(C#N)c2)n1 ZINC000339118102 383155909 /nfs/dbraw/zinc/15/59/09/383155909.db2.gz WJCVRORCNHCISK-HYXAFXHYSA-N -1 3 255.252 2.672 20 30 CFEDHM C=CCN(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000516187596 383163357 /nfs/dbraw/zinc/16/33/57/383163357.db2.gz GDOAKLUMJAAGMS-NSHDSACASA-N -1 3 284.153 2.693 20 30 CFEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@]3(C#N)C[C@@H]3C)[nH][n-]2)c1 ZINC000449835305 383367542 /nfs/dbraw/zinc/36/75/42/383367542.db2.gz OJICYHHXWJIFAD-SJCJKPOMSA-N -1 3 294.358 2.604 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000427775232 383416871 /nfs/dbraw/zinc/41/68/71/383416871.db2.gz SVUIFDIWLDGVKX-UHFFFAOYSA-N -1 3 291.376 2.580 20 30 CFEDHM CCN(CCC#N)Cc1ccc([O-])c2nc(C)ccc12 ZINC000429684394 383559382 /nfs/dbraw/zinc/55/93/82/383559382.db2.gz MNTWPUYRQVCCPU-UHFFFAOYSA-N -1 3 269.348 2.984 20 30 CFEDHM COc1cc(CNC(=O)c2ccc(C)cc2[O-])ccc1C#N ZINC000436569339 383839137 /nfs/dbraw/zinc/83/91/37/383839137.db2.gz CUXUBMJGDQKBGB-UHFFFAOYSA-N -1 3 296.326 2.511 20 30 CFEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436575022 383842391 /nfs/dbraw/zinc/84/23/91/383842391.db2.gz LUORBUXUZTXGRN-HNNXBMFYSA-N -1 3 286.375 2.939 20 30 CFEDHM Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c([O-])c1 ZINC000436599897 383852352 /nfs/dbraw/zinc/85/23/52/383852352.db2.gz DWBBIQZOZSLHNA-UHFFFAOYSA-N -1 3 292.338 2.991 20 30 CFEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436684382 383870442 /nfs/dbraw/zinc/87/04/42/383870442.db2.gz ZJYJQJRBCIGANU-UHFFFAOYSA-N -1 3 281.315 2.866 20 30 CFEDHM C=CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436748137 383888396 /nfs/dbraw/zinc/88/83/96/383888396.db2.gz QKYKEPOGAITDKY-UHFFFAOYSA-N -1 3 267.328 2.899 20 30 CFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccccc2[O-])cc1 ZINC000436838796 383898094 /nfs/dbraw/zinc/89/80/94/383898094.db2.gz LMVMPJNKSAGHMM-OAHLLOKOSA-N -1 3 280.327 2.949 20 30 CFEDHM CCCCOc1ccc(C(=O)N(CC)CCC#N)c([O-])c1 ZINC000436985993 383899705 /nfs/dbraw/zinc/89/97/05/383899705.db2.gz DTWBANYKQYKBNP-UHFFFAOYSA-N -1 3 290.363 2.947 20 30 CFEDHM C=CCN(Cc1cccc(C#N)c1)Cc1ncccc1[O-] ZINC000573487084 383939028 /nfs/dbraw/zinc/93/90/28/383939028.db2.gz ZBSZYLSAZSQHDT-UHFFFAOYSA-N -1 3 279.343 2.847 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2Cc2ccccc2)c1[O-] ZINC000266015011 384054079 /nfs/dbraw/zinc/05/40/79/384054079.db2.gz RXKQHUNMZGXVPU-LAPODJAJSA-N -1 3 296.370 2.638 20 30 CFEDHM N#Cc1ccc(OCCOc2ccc3c([O-])coc3c2)cc1 ZINC000642608530 384441224 /nfs/dbraw/zinc/44/12/24/384441224.db2.gz FKKONBWCSNCXPQ-UHFFFAOYSA-N -1 3 295.294 2.591 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000268236627 384575918 /nfs/dbraw/zinc/57/59/18/384575918.db2.gz WJQIBEXZTBXOSV-UHFFFAOYSA-N -1 3 274.246 2.530 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000268236627 384575923 /nfs/dbraw/zinc/57/59/23/384575923.db2.gz WJQIBEXZTBXOSV-UHFFFAOYSA-N -1 3 274.246 2.530 20 30 CFEDHM CC(C)CON=C([O-])Nc1cc(C#N)cn1C(C)(C)C ZINC000269659234 384823174 /nfs/dbraw/zinc/82/31/74/384823174.db2.gz JAGDJOGGXLNHTI-UHFFFAOYSA-N -1 3 278.356 2.824 20 30 CFEDHM CC(C)CO[N-]C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000269659234 384823180 /nfs/dbraw/zinc/82/31/80/384823180.db2.gz JAGDJOGGXLNHTI-UHFFFAOYSA-N -1 3 278.356 2.824 20 30 CFEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000270015916 384943296 /nfs/dbraw/zinc/94/32/96/384943296.db2.gz CBOALRYZPQFIMB-UHFFFAOYSA-N -1 3 275.682 2.656 20 30 CFEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(OC)cc1)C(C)C ZINC000282144860 385226870 /nfs/dbraw/zinc/22/68/70/385226870.db2.gz QAORNJPUWKNGRC-ZDUSSCGKSA-N -1 3 281.302 2.561 20 30 CFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000282451619 385314616 /nfs/dbraw/zinc/31/46/16/385314616.db2.gz SKTLGFOSSFSJRZ-UHFFFAOYSA-N -1 3 299.334 2.627 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cnn(CCC(C)C)c1CC ZINC000276985816 386098956 /nfs/dbraw/zinc/09/89/56/386098956.db2.gz ZAXMJBPUTDNHEE-UHFFFAOYSA-N -1 3 299.440 2.809 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000192242155 262200510 /nfs/dbraw/zinc/20/05/10/262200510.db2.gz KGNVOENICXXTEH-QMMMGPOBSA-N -1 3 286.253 2.833 20 30 CFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCC1 ZINC000178544805 533482909 /nfs/dbraw/zinc/48/29/09/533482909.db2.gz QQUJZADKRSATTK-SNVBAGLBSA-N -1 3 296.367 2.554 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3nccs3)[nH]c21 ZINC000683689724 542709386 /nfs/dbraw/zinc/70/93/86/542709386.db2.gz KHMGJASKZPTAET-SECBINFHSA-N -1 3 282.328 2.818 20 30 CFEDHM CCSCc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1 ZINC000416946045 393946842 /nfs/dbraw/zinc/94/68/42/393946842.db2.gz FVQKEZODVMPMNM-CYBMUJFWSA-N -1 3 298.433 2.984 20 30 CFEDHM C=CCCO[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000270882624 134458655 /nfs/dbraw/zinc/45/86/55/134458655.db2.gz AVWUCCUIUIMVSO-GFCCVEGCSA-N -1 3 275.348 2.653 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000353149402 394024716 /nfs/dbraw/zinc/02/47/16/394024716.db2.gz MMVNMDVDPFEWFW-LBPRGKRZSA-N -1 3 298.795 2.845 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CCc2ccccc21 ZINC000355449325 394065980 /nfs/dbraw/zinc/06/59/80/394065980.db2.gz PACNKKIFFVWJBB-GFCCVEGCSA-N -1 3 287.388 2.992 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1cccc(OC(C)C)c1 ZINC000493163244 394166092 /nfs/dbraw/zinc/16/60/92/394166092.db2.gz UFJNQBYQRUQNAN-HJWRWDBZSA-N -1 3 261.321 2.721 20 30 CFEDHM C#CCN(C(=O)c1cc(C)ccc1[O-])C1CCCC1 ZINC000155652909 394320643 /nfs/dbraw/zinc/32/06/43/394320643.db2.gz XVWLLFJYURHMHT-UHFFFAOYSA-N -1 3 257.333 2.719 20 30 CFEDHM C=CC1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000521446448 394381163 /nfs/dbraw/zinc/38/11/63/394381163.db2.gz AVBPBHCDVDHMFK-UHFFFAOYSA-N -1 3 263.312 2.922 20 30 CFEDHM COCc1ccc(NCc2nc(C)ccc2[O-])cc1C#N ZINC000527762819 394404825 /nfs/dbraw/zinc/40/48/25/394404825.db2.gz KYHCHWGESNDVHL-UHFFFAOYSA-N -1 3 283.331 2.726 20 30 CFEDHM Cn1cccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647371785 395317634 /nfs/dbraw/zinc/31/76/34/395317634.db2.gz YUPCHNOJHPOYHQ-JTQLQIEISA-N -1 3 271.345 2.849 20 30 CFEDHM C=CCC1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCOCC1 ZINC000649228442 395455752 /nfs/dbraw/zinc/45/57/52/395455752.db2.gz PWPKTRHMRCSONK-UHFFFAOYSA-N -1 3 291.395 2.575 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000657077702 413304556 /nfs/dbraw/zinc/30/45/56/413304556.db2.gz YQJXYNBUHKWXPK-UHFFFAOYSA-N -1 3 285.312 2.621 20 30 CFEDHM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3ccccn3)n21 ZINC000651263358 413385558 /nfs/dbraw/zinc/38/55/58/413385558.db2.gz LMAPSJAEBYLQJD-VXGBXAGGSA-N -1 3 280.331 2.665 20 30 CFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ncccc1[O-] ZINC000661419254 413966214 /nfs/dbraw/zinc/96/62/14/413966214.db2.gz NQGMDWPTVFODDF-QWHCGFSZSA-N -1 3 289.379 2.721 20 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258.321 2.594 20 30 CFEDHM CC(C)(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000085433249 260374661 /nfs/dbraw/zinc/37/46/61/260374661.db2.gz NUKNFPHZQXUOOA-LLVKDONJSA-N -1 3 266.291 2.833 20 30 CFEDHM C[C@]1(C/N=C/c2ccc(O)c([O-])c2O)CCCS1 ZINC000121019485 260706858 /nfs/dbraw/zinc/70/68/58/260706858.db2.gz ZZMDYBGZSOARTI-PFLCFFIHSA-N -1 3 267.350 2.508 20 30 CFEDHM CCOC(=O)[C@@H]1CC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000121559314 260711459 /nfs/dbraw/zinc/71/14/59/260711459.db2.gz GBZPQERAAMPBSL-HJCXSIFHSA-N -1 3 261.321 2.543 20 30 CFEDHM COc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c([O-])c1 ZINC000152164694 261060598 /nfs/dbraw/zinc/06/05/98/261060598.db2.gz GGQNBWBWBNYCAJ-ZBEGNZNMSA-N -1 3 288.347 2.603 20 30 CFEDHM COc1cccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1[O-] ZINC000152156142 261060755 /nfs/dbraw/zinc/06/07/55/261060755.db2.gz UDNAJJQWUZPRSB-BZNIZROVSA-N -1 3 288.347 2.603 20 30 CFEDHM CC(C)(C#N)CCC[S@](=O)c1cccc([O-])c1 ZINC000184075303 262007107 /nfs/dbraw/zinc/00/71/07/262007107.db2.gz GFSPTZKBLNTANS-KRWDZBQOSA-N -1 3 251.351 2.830 20 30 CFEDHM CO[C@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000188127691 262149397 /nfs/dbraw/zinc/14/93/97/262149397.db2.gz DOWVBQYRJNLWMB-OREIZAMCSA-N -1 3 272.142 2.609 20 30 CFEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354464630 262173293 /nfs/dbraw/zinc/17/32/93/262173293.db2.gz IUYDDDYFTRJWGZ-ZDUSSCGKSA-N -1 3 251.289 2.584 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-]C1(C#N)CCCCC1 ZINC000195320468 262249984 /nfs/dbraw/zinc/24/99/84/262249984.db2.gz ITMZHLYLGWOJRT-UHFFFAOYSA-N -1 3 293.317 2.825 20 30 CFEDHM N#CC(=C([O-])c1ccc2ncccc2c1)c1ccncn1 ZINC000354473610 262262343 /nfs/dbraw/zinc/26/23/43/262262343.db2.gz VUMSURFBNUFTMI-ZDUSSCGKSA-N -1 3 274.283 2.515 20 30 CFEDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000272452790 263004770 /nfs/dbraw/zinc/00/47/70/263004770.db2.gz PTUGPMSPZOOHOZ-CQSZACIVSA-N -1 3 298.383 2.741 20 30 CFEDHM CC(C)CON=C([O-])Nc1ccccc1O[C@@H](C)C#N ZINC000272703063 263008287 /nfs/dbraw/zinc/00/82/87/263008287.db2.gz UZZVEKDXUFBYSZ-NSHDSACASA-N -1 3 277.324 2.687 20 30 CFEDHM CC(C)CO[N-]C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272703063 263008288 /nfs/dbraw/zinc/00/82/88/263008288.db2.gz UZZVEKDXUFBYSZ-NSHDSACASA-N -1 3 277.324 2.687 20 30 CFEDHM N#CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000273643074 263018904 /nfs/dbraw/zinc/01/89/04/263018904.db2.gz YFQXTHBPYMMACL-UHFFFAOYSA-N -1 3 293.175 2.575 20 30 CFEDHM CC(C)(C#N)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000278713508 263049893 /nfs/dbraw/zinc/04/98/93/263049893.db2.gz CCNPPYDNKLGRQF-UHFFFAOYSA-N -1 3 252.701 2.924 20 30 CFEDHM CCc1cc(=O)[n-]c(CSCCC(C)(C)C#N)n1 ZINC000276646136 263037583 /nfs/dbraw/zinc/03/75/83/263037583.db2.gz UARCOWPCAVQPNA-UHFFFAOYSA-N -1 3 265.382 2.918 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000353193633 263055617 /nfs/dbraw/zinc/05/56/17/263055617.db2.gz RTIKRXXNAMMSNB-NSHDSACASA-N -1 3 298.364 2.536 20 30 CFEDHM C=CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000340178952 263083656 /nfs/dbraw/zinc/08/36/56/263083656.db2.gz UDBMZBLVHCDSSR-UHFFFAOYSA-N -1 3 280.176 2.766 20 30 CFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000285772989 263095653 /nfs/dbraw/zinc/09/56/53/263095653.db2.gz NJHGWVRBBMAWLA-GFCCVEGCSA-N -1 3 252.701 2.924 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CC2(C)C)cc1 ZINC000291406526 263122193 /nfs/dbraw/zinc/12/21/93/263122193.db2.gz INTWXIWWSQZBPL-CQSZACIVSA-N -1 3 278.302 2.895 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000293673084 263146756 /nfs/dbraw/zinc/14/67/56/263146756.db2.gz JQWGMNPSGJXTBC-JQWIXIFHSA-N -1 3 256.296 2.786 20 30 CFEDHM Cc1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1[O-] ZINC000296931110 263198339 /nfs/dbraw/zinc/19/83/39/263198339.db2.gz NQWVKARJEZOFQV-AAEUAGOBSA-N -1 3 258.321 2.513 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(C)CC(C)(C)C#N)c1 ZINC000353213902 263273671 /nfs/dbraw/zinc/27/36/71/263273671.db2.gz DKOPOZALNIUGLG-UHFFFAOYSA-N -1 3 260.337 2.576 20 30 CFEDHM N#CC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCC1 ZINC000416344775 263696718 /nfs/dbraw/zinc/69/67/18/263696718.db2.gz DBLFACCIKGZLLW-UHFFFAOYSA-N -1 3 298.264 2.835 20 30 CFEDHM CC(C)[C@H](C#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331226480 264150369 /nfs/dbraw/zinc/15/03/69/264150369.db2.gz CPSXPLOQWOLAPE-LBPRGKRZSA-N -1 3 288.347 2.958 20 30 CFEDHM Cc1cccc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1[O-] ZINC000331227248 264150508 /nfs/dbraw/zinc/15/05/08/264150508.db2.gz DLPVLNJRLNOSRK-NEPJUHHUSA-N -1 3 263.337 2.963 20 30 CFEDHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H](OC)C2)c([O-])c1 ZINC000331230197 264152367 /nfs/dbraw/zinc/15/23/67/264152367.db2.gz HOOIOQSGFUDBBN-VXGBXAGGSA-N -1 3 263.337 2.827 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@H](C)C[C@H](C)O)c([O-])c1 ZINC000331243859 264177604 /nfs/dbraw/zinc/17/76/04/264177604.db2.gz RWAOPKZVHWLKMQ-MNOVXSKESA-N -1 3 265.353 2.980 20 30 CFEDHM CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000331246865 264179523 /nfs/dbraw/zinc/17/95/23/264179523.db2.gz VJMFZRAUWLFGPH-GFCCVEGCSA-N -1 3 292.379 2.580 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1F ZINC000417630235 264543079 /nfs/dbraw/zinc/54/30/79/264543079.db2.gz UNTYZTRCYDTJTD-LLVKDONJSA-N -1 3 271.719 2.988 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000356613826 266148610 /nfs/dbraw/zinc/14/86/10/266148610.db2.gz CUOPEGVCBPXEHP-UHFFFAOYSA-N -1 3 295.335 2.572 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000125700550 280645100 /nfs/dbraw/zinc/64/51/00/280645100.db2.gz XTBJNRJWJUVXML-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM N#Cc1ccc(/C=C/C(=O)[N-]OC2CCCC2)cc1 ZINC000135131307 280767236 /nfs/dbraw/zinc/76/72/36/280767236.db2.gz IGVKYHOJPMFTSH-MDZDMXLPSA-N -1 3 256.305 2.562 20 30 CFEDHM N#Cc1cccc(CC(=O)N2CCCc3cccc([O-])c32)c1 ZINC000539815609 281576292 /nfs/dbraw/zinc/57/62/92/281576292.db2.gz VTEDEMXIYPKDCC-UHFFFAOYSA-N -1 3 292.338 2.786 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)s1 ZINC000557094539 281957888 /nfs/dbraw/zinc/95/78/88/281957888.db2.gz IYJZAFRVEJSDDY-UHFFFAOYSA-N -1 3 296.417 2.621 20 30 CFEDHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000566844715 290421624 /nfs/dbraw/zinc/42/16/24/290421624.db2.gz RQXXPYVDRHEPHZ-SNVBAGLBSA-N -1 3 298.383 2.800 20 30 CFEDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000132041361 300041631 /nfs/dbraw/zinc/04/16/31/300041631.db2.gz CFWKJMRSKOPKTL-GXSJLCMTSA-N -1 3 298.795 2.679 20 30 CFEDHM CCCOc1ccc(/C=N/CC2(C(=O)OC)CC2)c([O-])c1 ZINC000185918115 327850887 /nfs/dbraw/zinc/85/08/87/327850887.db2.gz OQUNRZSGCNXDBZ-LICLKQGHSA-N -1 3 291.347 2.553 20 30 CFEDHM C[C@@H](C#N)CN(C)Cc1cc([O-])ccc1Br ZINC000271136744 328194906 /nfs/dbraw/zinc/19/49/06/328194906.db2.gz RSYXQITUSXAGKF-VIFPVBQESA-N -1 3 283.169 2.746 20 30 CFEDHM C=CC[C@H](C)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000340439626 328277336 /nfs/dbraw/zinc/27/73/36/328277336.db2.gz CESQSFSWRFBQNG-VIFPVBQESA-N -1 3 298.180 2.778 20 30 CFEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000165826007 322385671 /nfs/dbraw/zinc/38/56/71/322385671.db2.gz ACCPUHSVVYKDPL-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM Cc1nc(-c2nc(-c3ccc([O-])cc3)no2)ccc1C#N ZINC000350567194 324232876 /nfs/dbraw/zinc/23/28/76/324232876.db2.gz GHXPMTZMOHOKOW-UHFFFAOYSA-N -1 3 278.271 2.684 20 30 CFEDHM CCCn1c(S[C@H](C#N)c2ccccc2)n[n-]c1=O ZINC000566496799 327399542 /nfs/dbraw/zinc/39/95/42/327399542.db2.gz NTTNWRZNTDIQAG-LLVKDONJSA-N -1 3 274.349 2.751 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000175690334 329170189 /nfs/dbraw/zinc/17/01/89/329170189.db2.gz JCSJYKKCAQKLCW-UHFFFAOYSA-N -1 3 277.320 2.864 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1cncc(SC)c1 ZINC000421238087 329807731 /nfs/dbraw/zinc/80/77/31/329807731.db2.gz XFHVLYZNTMSRQH-UHFFFAOYSA-N -1 3 272.395 2.511 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccccc2F)c1 ZINC000161427822 329933527 /nfs/dbraw/zinc/93/35/27/329933527.db2.gz RZBGRNGRKRMVCR-AWEZNQCLSA-N -1 3 284.290 2.834 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cncs3)nc21 ZINC000429665689 330049614 /nfs/dbraw/zinc/04/96/14/330049614.db2.gz ZYXTVPNYFAAIHT-VIFPVBQESA-N -1 3 282.328 2.818 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cncs3)[nH]c21 ZINC000429665689 330049616 /nfs/dbraw/zinc/04/96/16/330049616.db2.gz ZYXTVPNYFAAIHT-VIFPVBQESA-N -1 3 282.328 2.818 20 30 CFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000119188945 330371022 /nfs/dbraw/zinc/37/10/22/330371022.db2.gz RGSDMUVLPDCHPQ-UHFFFAOYSA-N -1 3 297.273 2.699 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436551484 330679903 /nfs/dbraw/zinc/67/99/03/330679903.db2.gz ZPXRAJKHLRRBCM-JTQLQIEISA-N -1 3 275.348 2.800 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CCCC1(F)F ZINC000450865155 331003585 /nfs/dbraw/zinc/00/35/85/331003585.db2.gz CRUWZSUBMGNPCW-MRVPVSSYSA-N -1 3 275.324 2.697 20 30 CFEDHM COc1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)c([O-])c1 ZINC000451026284 331012380 /nfs/dbraw/zinc/01/23/80/331012380.db2.gz MAPSJSFRLLUXRF-INIZCTEOSA-N -1 3 286.331 2.813 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000451805257 331042872 /nfs/dbraw/zinc/04/28/72/331042872.db2.gz XIXKNKMVLMGXJN-UHFFFAOYSA-N -1 3 289.784 2.593 20 30 CFEDHM C=CCC1(CNC(=O)NCc2ncccc2[O-])CCCC1 ZINC000455484802 331170794 /nfs/dbraw/zinc/17/07/94/331170794.db2.gz WMSWVSGQFUAHSF-UHFFFAOYSA-N -1 3 289.379 2.723 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000166258963 331306778 /nfs/dbraw/zinc/30/67/78/331306778.db2.gz SSIPFRJBBRZOSD-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM C#CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000490804489 332117165 /nfs/dbraw/zinc/11/71/65/332117165.db2.gz XPFZNKNAPOMAGF-UHFFFAOYSA-N -1 3 294.354 2.546 20 30 CFEDHM C#C[C@H](C)N(C)Cc1ccc(OC)c([O-])c1Br ZINC000491325741 332189848 /nfs/dbraw/zinc/18/98/48/332189848.db2.gz GNRSNUKKVZMLBP-VIFPVBQESA-N -1 3 298.180 2.617 20 30 CFEDHM C#C[C@H](CCC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000491617784 332244524 /nfs/dbraw/zinc/24/45/24/332244524.db2.gz KZOBTQLPLLYXBC-CYBMUJFWSA-N -1 3 277.339 2.772 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1c(C)nn(CC(C)C)c1Cl ZINC000493063848 332424969 /nfs/dbraw/zinc/42/49/69/332424969.db2.gz MVAXFNLNFFOFKV-SREVYHEPSA-N -1 3 297.786 2.748 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C/SCc1ccco1 ZINC000493479982 332441765 /nfs/dbraw/zinc/44/17/65/332441765.db2.gz DMLGXGNNCZCUMP-FNORWQNLSA-N -1 3 253.323 2.650 20 30 CFEDHM CCCc1ccc(-c2cc(=NC(=O)C(C)(C)C#N)[nH][n-]2)cc1 ZINC000523825447 333347027 /nfs/dbraw/zinc/34/70/27/333347027.db2.gz BRSUSRRAQDLBEO-UHFFFAOYSA-N -1 3 296.374 2.939 20 30 CFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000315609535 333382766 /nfs/dbraw/zinc/38/27/66/333382766.db2.gz CFHFGUBWRPTEGT-UHFFFAOYSA-N -1 3 292.813 2.620 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC000539848111 333698218 /nfs/dbraw/zinc/69/82/18/333698218.db2.gz RCQQLFNUKYPDMW-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM COc1cc(C)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000548381695 334153355 /nfs/dbraw/zinc/15/33/55/334153355.db2.gz LOQSUBHBIOOUDK-ZDUSSCGKSA-N -1 3 266.300 2.889 20 30 CFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)ccc1F ZINC000549721054 334202707 /nfs/dbraw/zinc/20/27/07/334202707.db2.gz QXHRKAVVJAKHAB-UHFFFAOYSA-N -1 3 288.319 2.646 20 30 CFEDHM C=CCCCCCNC(=O)c1ccc([O-])c(OC)c1 ZINC000565205436 334544700 /nfs/dbraw/zinc/54/47/00/334544700.db2.gz BUBQZPCGOAPGBQ-UHFFFAOYSA-N -1 3 263.337 2.877 20 30 CFEDHM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1ccccn1 ZINC000580929043 335985028 /nfs/dbraw/zinc/98/50/28/335985028.db2.gz IINUNECVSVZITM-LLVKDONJSA-N -1 3 269.304 2.992 20 30 CFEDHM C=CCn1c(SCc2c(C)nsc2C)n[n-]c1=O ZINC000581348542 336056586 /nfs/dbraw/zinc/05/65/86/336056586.db2.gz MNGPTMNKNADABS-UHFFFAOYSA-N -1 3 282.394 2.535 20 30 CFEDHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169264102 519792508 /nfs/dbraw/zinc/79/25/08/519792508.db2.gz KQCMYTSHMLKTHU-SECBINFHSA-N -1 3 286.784 2.534 20 30 CFEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2)ccc1[O-] ZINC000226715105 524175168 /nfs/dbraw/zinc/17/51/68/524175168.db2.gz UCNLLIQZVJKOQL-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cc(C#N)ccn2)n1 ZINC000155937185 525346248 /nfs/dbraw/zinc/34/62/48/525346248.db2.gz RQOVFNURLONPFB-SECBINFHSA-N -1 3 272.333 2.611 20 30 CFEDHM N#Cc1cc([N+](=O)[O-])cnc1Sc1ccc([O-])cc1 ZINC000050442716 526579215 /nfs/dbraw/zinc/57/92/15/526579215.db2.gz HDGCAODOAUTVHL-UHFFFAOYSA-N -1 3 273.273 2.718 20 30 CFEDHM C=CCCN(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000346851365 527307578 /nfs/dbraw/zinc/30/75/78/527307578.db2.gz JGWCEGXLOGLGJW-UHFFFAOYSA-N -1 3 265.328 2.889 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000334764333 527456007 /nfs/dbraw/zinc/45/60/07/527456007.db2.gz XXMWKIGFUWIZBI-LLVKDONJSA-N -1 3 261.321 2.582 20 30 CFEDHM C=CCC[C@H](NCc1cnc(C)[n-]c1=O)c1ccco1 ZINC000353674248 527485902 /nfs/dbraw/zinc/48/59/02/527485902.db2.gz TZSBOQXYSLQVCM-ZDUSSCGKSA-N -1 3 273.336 2.881 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1cc(OC)ccc1[O-] ZINC000334764336 527602897 /nfs/dbraw/zinc/60/28/97/527602897.db2.gz XXMWKIGFUWIZBI-NSHDSACASA-N -1 3 261.321 2.582 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000334646362 527603428 /nfs/dbraw/zinc/60/34/28/527603428.db2.gz PFBLPOQWPYXHNH-ZDUSSCGKSA-N -1 3 273.332 2.776 20 30 CFEDHM CC(=NOCc1cccnc1)c1cc(F)ccc1[O-] ZINC000746576384 574052026 /nfs/dbraw/zinc/05/20/26/574052026.db2.gz JEBDOXFBKMLVAZ-UHFFFAOYSA-N -1 3 260.268 2.867 20 30 CFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000755951465 574059068 /nfs/dbraw/zinc/05/90/68/574059068.db2.gz KMLSCRYPJXNGBJ-UHFFFAOYSA-N -1 3 284.139 2.510 20 30 CFEDHM C#C[C@@H](CC)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000754371908 574091783 /nfs/dbraw/zinc/09/17/83/574091783.db2.gz UGZRPBOXEHNGKP-QMMMGPOBSA-N -1 3 293.779 2.933 20 30 CFEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc([O-])c(F)c1 ZINC000728429962 574095938 /nfs/dbraw/zinc/09/59/38/574095938.db2.gz STVFKHUFSUAZIB-UHFFFAOYSA-N -1 3 290.254 2.671 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H](C)C(=O)OC(C)(C)C ZINC000730952022 574104186 /nfs/dbraw/zinc/10/41/86/574104186.db2.gz RJTVNSCNATWLPO-JSJZUPIVSA-N -1 3 279.336 2.550 20 30 CFEDHM COc1cccc(NN=Cc2nc(C)ccc2[O-])c1 ZINC000728778751 574108620 /nfs/dbraw/zinc/10/86/20/574108620.db2.gz GTJGGRBFHBQSBF-UHFFFAOYSA-N -1 3 257.293 2.550 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1ccccc1NC(C)=O ZINC000741464592 574120205 /nfs/dbraw/zinc/12/02/05/574120205.db2.gz PVXNLYKDZZHCAG-WOJGMQOQSA-N -1 3 298.342 2.978 20 30 CFEDHM COc1ccc([C@@H](C)/N=C\c2ccc(O)c([O-])c2O)cc1 ZINC000745623646 574120710 /nfs/dbraw/zinc/12/07/10/574120710.db2.gz AEQSOMQPCQDWPJ-LGQZLYSRSA-N -1 3 287.315 2.992 20 30 CFEDHM COC(=O)[C@@H](C/N=C/c1c([O-])cccc1OC)CC(C)C ZINC000741465793 574120728 /nfs/dbraw/zinc/12/07/28/574120728.db2.gz YKVQZKFISPUFDL-YXHQGMJNSA-N -1 3 293.363 2.655 20 30 CFEDHM CCOc1ccc(/C=N/C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000741465501 574120758 /nfs/dbraw/zinc/12/07/58/574120758.db2.gz VMHYNZVHKTWGFT-KFXAOSDLSA-N -1 3 289.331 2.711 20 30 CFEDHM N#CCc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731867585 574132051 /nfs/dbraw/zinc/13/20/51/574132051.db2.gz MWQVIPWEDJZRRI-UHFFFAOYSA-N -1 3 258.302 2.772 20 30 CFEDHM COc1ccc(C/N=C\c2c([O-])cccc2OC)cc1C#N ZINC000746514371 574152702 /nfs/dbraw/zinc/15/27/02/574152702.db2.gz XPQDGKWVNSCINI-ODLFYWEKSA-N -1 3 296.326 2.900 20 30 CFEDHM CC(C)c1ocnc1C([O-])=C(C#N)c1ccccn1 ZINC000732495129 574158333 /nfs/dbraw/zinc/15/83/33/574158333.db2.gz RCWFPRVVPKBOPO-JTQLQIEISA-N -1 3 255.277 2.683 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/CCc2cccc(F)c2F)c1O ZINC000732713645 574166799 /nfs/dbraw/zinc/16/67/99/574166799.db2.gz JLAQTNUPTKOFPU-QGMBQPNBSA-N -1 3 293.269 2.743 20 30 CFEDHM Cc1nn(C)cc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000755585556 574169620 /nfs/dbraw/zinc/16/96/20/574169620.db2.gz VKYWZDDQPGCQMP-KIFNTFBYSA-N -1 3 286.306 2.957 20 30 CFEDHM CC(C)OC(=O)CC/N=C/c1cc(Cl)ccc1[O-] ZINC000732770030 574170992 /nfs/dbraw/zinc/17/09/92/574170992.db2.gz SKTVNQODFBQICU-OVCLIPMQSA-N -1 3 269.728 2.806 20 30 CFEDHM [O-]c1ccc(C=NNCc2ccccc2Cl)nc1 ZINC000755660945 574176239 /nfs/dbraw/zinc/17/62/39/574176239.db2.gz KEOJIPZCTVFNPH-UHFFFAOYSA-N -1 3 261.712 2.564 20 30 CFEDHM C[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCOC1 ZINC000733080782 574187169 /nfs/dbraw/zinc/18/71/69/574187169.db2.gz BCHARGNSTJEBEI-FEZXJWFHSA-N -1 3 253.729 2.891 20 30 CFEDHM CCOc1ccc(C=NO[C@@H]2CCCCO2)c([O-])c1 ZINC000755817497 574189598 /nfs/dbraw/zinc/18/95/98/574189598.db2.gz LUDSEHPSXXGLLZ-CQSZACIVSA-N -1 3 265.309 2.668 20 30 CFEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NO[C@H]1CCCCO1 ZINC000755822874 574190500 /nfs/dbraw/zinc/19/05/00/574190500.db2.gz LAWLZVHPGUGVNB-VIFPVBQESA-N -1 3 298.701 2.679 20 30 CFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3ccccc3C2)cc1 ZINC000739107572 574198782 /nfs/dbraw/zinc/19/87/82/574198782.db2.gz XTHNLSUUFXCROM-QGZVFWFLSA-N -1 3 292.338 2.742 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171583 574200154 /nfs/dbraw/zinc/20/01/54/574200154.db2.gz CKIBAADWKSFOHG-TYNCELHUSA-N -1 3 287.363 2.597 20 30 CFEDHM CCOc1ccc(/C=N\CCc2nccs2)c([O-])c1 ZINC000747614696 574203382 /nfs/dbraw/zinc/20/33/82/574203382.db2.gz LZSQFDYRZVMRNW-GDNBJRDFSA-N -1 3 276.361 2.909 20 30 CFEDHM COc1cccc([O-])c1/C=N/Cc1cccc(F)n1 ZINC000747689995 574206522 /nfs/dbraw/zinc/20/65/22/574206522.db2.gz CKUCUDIEJJECBP-CXUHLZMHSA-N -1 3 260.268 2.554 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2cccc3ncccc23)c1[O-] ZINC000747713187 574208100 /nfs/dbraw/zinc/20/81/00/574208100.db2.gz QBIFPPILLBOAOB-UHFFFAOYSA-N -1 3 293.326 2.887 20 30 CFEDHM COc1cc(CN=Nc2ccc(C)nn2)cc(Cl)c1[O-] ZINC000729936517 574239216 /nfs/dbraw/zinc/23/92/16/574239216.db2.gz UBPKDUZCUSAAER-UHFFFAOYSA-N -1 3 292.726 2.599 20 30 CFEDHM COc1cccc([O-])c1C=NNc1cnnc2ccccc21 ZINC000733750131 574255129 /nfs/dbraw/zinc/25/51/29/574255129.db2.gz NLENHTGAFYALOJ-UHFFFAOYSA-N -1 3 294.314 2.790 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1cccnc1 ZINC000733903008 574261133 /nfs/dbraw/zinc/26/11/33/574261133.db2.gz FZEZXCSTWYAFND-MFOYZWKCSA-N -1 3 276.723 2.939 20 30 CFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ncccn3)sc2C1 ZINC000748790989 574266467 /nfs/dbraw/zinc/26/64/67/574266467.db2.gz BBSPUHKPVLPCJM-VIFPVBQESA-N -1 3 298.371 2.787 20 30 CFEDHM CC(=NNc1ccncc1Cl)c1ccc([O-])cc1F ZINC000756838631 574266561 /nfs/dbraw/zinc/26/65/61/574266561.db2.gz MQZDCCQVEBXWBP-UHFFFAOYSA-N -1 3 279.702 2.838 20 30 CFEDHM CN1Cc2ccccc2[C@H](/N=C\c2ccccc2[O-])C1 ZINC000756841464 574267594 /nfs/dbraw/zinc/26/75/94/574267594.db2.gz VFNIPXMMBNMZOA-LTKMBJGESA-N -1 3 266.344 2.998 20 30 CFEDHM C#CC[C@H](/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000756848214 574268298 /nfs/dbraw/zinc/26/82/98/574268298.db2.gz YIMXJRSQHOIXCN-BGARDKSCSA-N -1 3 281.311 2.987 20 30 CFEDHM C#CC[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000756848216 574268410 /nfs/dbraw/zinc/26/84/10/574268410.db2.gz YIMXJRSQHOIXCN-JVVDOCDTSA-N -1 3 281.311 2.987 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC[C@@H]1CCCO1 ZINC000734303018 574280979 /nfs/dbraw/zinc/28/09/79/574280979.db2.gz ADJCGGRAGPMMMR-LWLPBDFMSA-N -1 3 283.755 2.660 20 30 CFEDHM CCOc1ccc(/C=N/C[C@H](O)c2ccc(C)o2)c([O-])c1 ZINC000741165637 574282579 /nfs/dbraw/zinc/28/25/79/574282579.db2.gz PISMBJPBBYDUFG-ZUZCKIMGSA-N -1 3 289.331 2.845 20 30 CFEDHM CCC(CC)NN=C(C)c1cc(NC(C)=O)ccc1[O-] ZINC000734365102 574283908 /nfs/dbraw/zinc/28/39/08/574283908.db2.gz RFYQIKZHTIEAGX-UHFFFAOYSA-N -1 3 277.368 2.853 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@]2(C)c2ccccc2)c1[O-] ZINC000741464692 574291724 /nfs/dbraw/zinc/29/17/24/574291724.db2.gz QMOIENIIEZNHAI-OTGLCUBASA-N -1 3 296.370 2.737 20 30 CFEDHM C#CCOc1ccc(F)cc1N=Cc1cccc([O-])c1O ZINC000741464946 574291741 /nfs/dbraw/zinc/29/17/41/574291741.db2.gz ROJHQQLXEYGMDR-UHFFFAOYSA-N -1 3 285.274 3.000 20 30 CFEDHM Cn1cccc1[C@H](O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000741466076 574291877 /nfs/dbraw/zinc/29/18/77/574291877.db2.gz CTZOTHTVAMJNRQ-MEFZMRIGSA-N -1 3 278.739 2.537 20 30 CFEDHM CCCCCC[C@H](C)NN=C1c2ccc([O-])cc2NC1=O ZINC000743450440 574306152 /nfs/dbraw/zinc/30/61/52/574306152.db2.gz KZKJXRRYZQYRJG-NSHDSACASA-N -1 3 289.379 2.997 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000741844443 574306642 /nfs/dbraw/zinc/30/66/42/574306642.db2.gz PGUUEVGRVGFKDO-CYAFTIPJSA-N -1 3 288.391 2.976 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@](C)(O)c1cccs1 ZINC000739427172 574310179 /nfs/dbraw/zinc/31/01/79/574310179.db2.gz QSVSKNNUSDWYAX-WNLSXJKCSA-N -1 3 291.372 2.789 20 30 CFEDHM CCc1ccc(CC/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000735978698 574346152 /nfs/dbraw/zinc/34/61/52/574346152.db2.gz JLVAHQUOKSMBJR-YBFXNURJSA-N -1 3 298.386 2.812 20 30 CFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ncccc2C)c1 ZINC000750685031 574351223 /nfs/dbraw/zinc/35/12/23/574351223.db2.gz ZECOQSFKLHAUQV-CQSZACIVSA-N -1 3 293.326 2.660 20 30 CFEDHM CS[C@@H]1CC[C@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000743041480 574352254 /nfs/dbraw/zinc/35/22/54/574352254.db2.gz AFDPGSYJKNQWDF-GBEOUODZSA-N -1 3 267.350 2.506 20 30 CFEDHM CC(=O)NC1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000750950240 574365296 /nfs/dbraw/zinc/36/52/96/574365296.db2.gz QVLYYVVRJIJFOJ-MFOYZWKCSA-N -1 3 294.782 2.912 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2ccc(Cl)nc2)n1 ZINC000743451519 574365278 /nfs/dbraw/zinc/36/52/78/574365278.db2.gz GWWPNJBRFCWIEW-UHFFFAOYSA-N -1 3 262.700 2.590 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)CCCO3)c1[O-] ZINC000750950197 574365365 /nfs/dbraw/zinc/36/53/65/574365365.db2.gz PXAXNBQMXUSMNX-UHFFFAOYSA-N -1 3 298.342 2.664 20 30 CFEDHM [O-]c1ccccc1/C=N\CCN1Cc2ccccc2C1 ZINC000743539200 574368396 /nfs/dbraw/zinc/36/83/96/574368396.db2.gz XAMQRAVHFCYJCR-WQRHYEAKSA-N -1 3 266.344 2.827 20 30 CFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])C=CC1CC1 ZINC000744025147 574375809 /nfs/dbraw/zinc/37/58/09/574375809.db2.gz HMOMFLDUPZQMAX-SYAFZNNESA-N -1 3 288.734 2.954 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c([O-])c1O ZINC000751533068 574378672 /nfs/dbraw/zinc/37/86/72/574378672.db2.gz KDPOECFCGJEYQD-LLVKDONJSA-N -1 3 296.326 2.769 20 30 CFEDHM CCOC(=O)c1ccc(C/N=C/c2ccccc2[O-])o1 ZINC000751890960 574384333 /nfs/dbraw/zinc/38/43/33/574384333.db2.gz QPDLLKVGCXLDPP-CXUHLZMHSA-N -1 3 273.288 2.781 20 30 CFEDHM CC(=Nn1cc(Br)cn1)c1ccc(C)cc1[O-] ZINC000752742883 574394357 /nfs/dbraw/zinc/39/43/57/574394357.db2.gz MWHNOOKKWCBNIZ-UHFFFAOYSA-N -1 3 294.152 2.932 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000752884078 574396101 /nfs/dbraw/zinc/39/61/01/574396101.db2.gz QKOJHRXWSAELHU-JECSTDCCSA-N -1 3 281.315 2.952 20 30 CFEDHM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OCC ZINC000753539445 574404151 /nfs/dbraw/zinc/40/41/51/574404151.db2.gz LYIYXRQHRSDHKM-NSHDSACASA-N -1 3 296.317 2.986 20 30 CFEDHM COc1cccc([O-])c1CN1CCC[C@@](C)(C#N)C1 ZINC000753587434 574405670 /nfs/dbraw/zinc/40/56/70/574405670.db2.gz OAKIUCYFVFCMHX-HNNXBMFYSA-N -1 3 260.337 2.526 20 30 CFEDHM CC(N=NCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819773185 607253549 /nfs/dbraw/zinc/25/35/49/607253549.db2.gz RFQAEKQZQPAACL-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM CC(N=NCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819773185 607253550 /nfs/dbraw/zinc/25/35/50/607253550.db2.gz RFQAEKQZQPAACL-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM O=C(Cc1ccc(O)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC000900094826 620636975 /nfs/dbraw/zinc/63/69/75/620636975.db2.gz SFWIOFCKJLDECC-UHFFFAOYSA-N -1 3 293.269 2.631 20 30 CFEDHM COCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000900095566 620637116 /nfs/dbraw/zinc/63/71/16/620637116.db2.gz FEWKNRXNUDOQLV-UHFFFAOYSA-N -1 3 279.267 2.597 20 30 CFEDHM O=C([C@H]1CCC(F)(F)C1)N([O-])Cc1ccc(F)cc1 ZINC000900094961 620637302 /nfs/dbraw/zinc/63/73/02/620637302.db2.gz VYOBXIMPLNALPG-JTQLQIEISA-N -1 3 273.254 2.979 20 30 CFEDHM O=C([C@@H]1CCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900097024 620637769 /nfs/dbraw/zinc/63/77/69/620637769.db2.gz YRURAVYHIAQRMX-SECBINFHSA-N -1 3 290.146 2.748 20 30 CFEDHM O=C([O-])C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000821516657 597353580 /nfs/dbraw/zinc/35/35/80/597353580.db2.gz UIDHUQYEDZVQOU-AWEZNQCLSA-N -1 3 291.778 2.878 20 30 CFEDHM C#CCN(Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC000688870821 599848968 /nfs/dbraw/zinc/84/89/68/599848968.db2.gz QDHYIXATMDQNOG-UHFFFAOYSA-N -1 3 261.321 2.746 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822378561 607462258 /nfs/dbraw/zinc/46/22/58/607462258.db2.gz BJPMQLAWFWRZPU-SNAWJCMRSA-N -1 3 298.277 2.803 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822378561 607462260 /nfs/dbraw/zinc/46/22/60/607462260.db2.gz BJPMQLAWFWRZPU-SNAWJCMRSA-N -1 3 298.277 2.803 20 30 CFEDHM C[C@@H](CN(CC#Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000827450111 601446931 /nfs/dbraw/zinc/44/69/31/601446931.db2.gz RUFZRLJQSVFKFF-LBPRGKRZSA-N -1 3 291.778 2.877 20 30 CFEDHM C[C@@H]1CC[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833602029 604609263 /nfs/dbraw/zinc/60/92/63/604609263.db2.gz HFPLGLXETZAPDK-NEPJUHHUSA-N -1 3 272.348 2.877 20 30 CFEDHM C=C(Cl)CN(CCC)C1CCN(C(=O)[O-])CC1 ZINC000823480924 605469852 /nfs/dbraw/zinc/46/98/52/605469852.db2.gz SIHAFODCSNBCNQ-UHFFFAOYSA-N -1 3 260.765 2.593 20 30 CFEDHM CC(C)N(Cc1cccc(C(=O)[O-])c1C#N)C(C)C ZINC000833497761 605471152 /nfs/dbraw/zinc/47/11/52/605471152.db2.gz HYXKHSKGSLNQPD-UHFFFAOYSA-N -1 3 260.337 2.875 20 30 CFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2ccccc21 ZINC000823503769 606303349 /nfs/dbraw/zinc/30/33/49/606303349.db2.gz IQFYWGRENSDNLE-UXBLZVDNSA-N -1 3 294.339 2.751 20 30 CFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2ccccc21 ZINC000823503769 606303351 /nfs/dbraw/zinc/30/33/51/606303351.db2.gz IQFYWGRENSDNLE-UXBLZVDNSA-N -1 3 294.339 2.751 20 30 CFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccsc1 ZINC000822923830 606306308 /nfs/dbraw/zinc/30/63/08/606306308.db2.gz VMEGMNDDXXPFGW-UPHRSURJSA-N -1 3 288.357 2.886 20 30 CFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccsc1 ZINC000822923830 606306306 /nfs/dbraw/zinc/30/63/06/606306306.db2.gz VMEGMNDDXXPFGW-UPHRSURJSA-N -1 3 288.357 2.886 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC000819734906 607006239 /nfs/dbraw/zinc/00/62/39/607006239.db2.gz XKRQWQGPFSUKSP-UHFFFAOYSA-N -1 3 289.364 2.635 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC000819734906 607006241 /nfs/dbraw/zinc/00/62/41/607006241.db2.gz XKRQWQGPFSUKSP-UHFFFAOYSA-N -1 3 289.364 2.635 20 30 CFEDHM CC(C)(C#N)CCCOc1ccc(-c2nnn[n-]2)cc1F ZINC000819891840 607171194 /nfs/dbraw/zinc/17/11/94/607171194.db2.gz IAYHPTLMTKBBTJ-UHFFFAOYSA-N -1 3 289.314 2.715 20 30 CFEDHM CC(C)(C#N)CCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000819891840 607171195 /nfs/dbraw/zinc/17/11/95/607171195.db2.gz IAYHPTLMTKBBTJ-UHFFFAOYSA-N -1 3 289.314 2.715 20 30 CFEDHM CCC#C[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000825029572 608198376 /nfs/dbraw/zinc/19/83/76/608198376.db2.gz WSGWIVJXPSQKTB-SNVBAGLBSA-N -1 3 258.350 2.761 20 30 CFEDHM CCC#C[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000825029572 608198378 /nfs/dbraw/zinc/19/83/78/608198378.db2.gz WSGWIVJXPSQKTB-SNVBAGLBSA-N -1 3 258.350 2.761 20 30 CFEDHM C=CCCCN(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823894860 608227878 /nfs/dbraw/zinc/22/78/78/608227878.db2.gz YJJRLDGRHNZUCS-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C=CCCCN(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823894860 608227880 /nfs/dbraw/zinc/22/78/80/608227880.db2.gz YJJRLDGRHNZUCS-UHFFFAOYSA-N -1 3 294.362 2.817 20 30 CFEDHM C=CCCSCc1ccc(-c2nnn[n-]2)cc1OC ZINC000823899159 608321181 /nfs/dbraw/zinc/32/11/81/608321181.db2.gz NYEMRZDIMWTBAZ-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM C=CCCSCc1ccc(-c2nn[n-]n2)cc1OC ZINC000823899159 608321182 /nfs/dbraw/zinc/32/11/82/608321182.db2.gz NYEMRZDIMWTBAZ-UHFFFAOYSA-N -1 3 276.365 2.685 20 30 CFEDHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)N([O-])Cc1ccc(F)cc1 ZINC000900679365 620700927 /nfs/dbraw/zinc/70/09/27/620700927.db2.gz OHRZGCFZURCNLP-LSDHHAIUSA-N -1 3 293.338 2.891 20 30 CFEDHM O=C(c1ccnn1C1CCC1)N([O-])Cc1ccc(F)cc1 ZINC000900678101 620701076 /nfs/dbraw/zinc/70/10/76/620701076.db2.gz HCUIQVAZQZXIEW-UHFFFAOYSA-N -1 3 289.310 2.779 20 30 CFEDHM CCCCN([O-])C(=O)[C@@]1(c2ccccc2)CCCO1 ZINC000900682177 620701631 /nfs/dbraw/zinc/70/16/31/620701631.db2.gz KKPODZAWGDWVNL-HNNXBMFYSA-N -1 3 263.337 2.710 20 30 CFEDHM CCCCN([O-])C(=O)Cc1c[nH]c2cnc(Cl)cc12 ZINC000900682153 620701541 /nfs/dbraw/zinc/70/15/41/620701541.db2.gz KAPFWYZBWWDZIX-UHFFFAOYSA-N -1 3 281.743 2.777 20 30 CFEDHM CC(=NNC[C@H]1CCSC1)c1cc(F)ccc1[O-] ZINC000811659472 617690039 /nfs/dbraw/zinc/69/00/39/617690039.db2.gz SYKQMHVYLFXTNY-SNVBAGLBSA-N -1 3 268.357 2.598 20 30 CFEDHM CCC(CC)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000135359263 617740924 /nfs/dbraw/zinc/74/09/24/617740924.db2.gz YXJPWAWWQFSLFT-UHFFFAOYSA-N -1 3 290.363 2.528 20 30 CFEDHM CC(C)C1N=NC(=S)N1N=Cc1cc([O-])cc(Cl)c1 ZINC000901141251 620756187 /nfs/dbraw/zinc/75/61/87/620756187.db2.gz CNRWPLXONOTTFB-UHFFFAOYSA-N -1 3 296.783 2.931 20 30 CFEDHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc(F)cc2n[n-]nc21 ZINC000328659121 617869150 /nfs/dbraw/zinc/86/91/50/617869150.db2.gz SDWMNTHPVRGELX-QMMMGPOBSA-N -1 3 298.268 2.980 20 30 CFEDHM C#Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177666811 618013623 /nfs/dbraw/zinc/01/36/23/618013623.db2.gz BVGMJTLQCUZVMK-UHFFFAOYSA-N -1 3 267.284 2.640 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCCn1cccn1 ZINC000255164502 618025676 /nfs/dbraw/zinc/02/56/76/618025676.db2.gz JSFPKGIPOSCTCN-GDNBJRDFSA-N -1 3 263.728 2.751 20 30 CFEDHM CC(=NN[C@H](C)C(F)(F)F)c1ccc(F)c([O-])c1 ZINC000901249804 620771849 /nfs/dbraw/zinc/77/18/49/620771849.db2.gz IIZYQRPVWKXZAE-SSDOTTSWSA-N -1 3 264.222 2.796 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1cc(Br)ccc1C ZINC000846554717 618114864 /nfs/dbraw/zinc/11/48/64/618114864.db2.gz NUKJVMMUNAJSCJ-JTQLQIEISA-N -1 3 298.180 2.922 20 30 CFEDHM C[C@H]1CC(NN=Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000901308509 620781715 /nfs/dbraw/zinc/78/17/15/620781715.db2.gz UBLIHSODTCBSLE-UWVGGRQHSA-N -1 3 282.771 2.925 20 30 CFEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([O-])c(F)c1 ZINC000901309912 620782149 /nfs/dbraw/zinc/78/21/49/620782149.db2.gz GNUXZYRAEXSSTG-DDFAGTSDSA-N -1 3 280.343 2.801 20 30 CFEDHM O=C(c1cc[nH]c(=O)c1)N([O-])Cc1cccc2ccccc21 ZINC000901370310 620796959 /nfs/dbraw/zinc/79/69/59/620796959.db2.gz WNDLHFUAHCPGME-UHFFFAOYSA-N -1 3 294.310 2.972 20 30 CFEDHM COCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369717 620797009 /nfs/dbraw/zinc/79/70/09/620797009.db2.gz GONDMVVXBYAPFE-UHFFFAOYSA-N -1 3 273.332 2.984 20 30 CFEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372068 620797227 /nfs/dbraw/zinc/79/72/27/620797227.db2.gz PAYXDRYMTKHISJ-KZWBYHQPSA-N -1 3 281.327 2.603 20 30 CFEDHM CO[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)C(F)(F)F ZINC000901372223 620797239 /nfs/dbraw/zinc/79/72/39/620797239.db2.gz ABOKDNRTGLWTPP-SNVBAGLBSA-N -1 3 295.232 2.511 20 30 CFEDHM O=C(c1ccnc(C2CC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901372392 620797699 /nfs/dbraw/zinc/79/76/99/620797699.db2.gz XUZNHYNXXPMAHT-UHFFFAOYSA-N -1 3 287.294 2.525 20 30 CFEDHM O=C([C@@H]1C[C@H]1C1CCC1)N([O-])Cc1ccc(F)cc1 ZINC000901373419 620798250 /nfs/dbraw/zinc/79/82/50/620798250.db2.gz ZJGRCWPKTUUTCG-UONOGXRCSA-N -1 3 263.312 2.980 20 30 CFEDHM COc1ccccc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375892 620798449 /nfs/dbraw/zinc/79/84/49/620798449.db2.gz MXTAARIWSVNOQR-UHFFFAOYSA-N -1 3 289.306 2.795 20 30 CFEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1O ZINC000255866186 618388890 /nfs/dbraw/zinc/38/88/90/618388890.db2.gz JOLVVYMQRCQBLK-UHFFFAOYSA-N -1 3 259.261 2.568 20 30 CFEDHM COC(=O)N1CCC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000726429726 618474575 /nfs/dbraw/zinc/47/45/75/618474575.db2.gz QNHURFGFWYCVCZ-GGNJANJASA-N -1 3 296.754 2.695 20 30 CFEDHM C#CCO[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000832328681 625282223 /nfs/dbraw/zinc/28/22/23/625282223.db2.gz UKBPAOJYTZWLHS-UHFFFAOYSA-N -1 3 297.326 2.762 20 30 CFEDHM CC[C@H](NCC1(C#N)CC1)c1cccc(C#N)c1[O-] ZINC000926872803 618777091 /nfs/dbraw/zinc/77/70/91/618777091.db2.gz AZVWXJZAXJTBLR-ZDUSSCGKSA-N -1 3 255.321 2.608 20 30 CFEDHM CCc1c(C)sc([N-]C(=O)c2cocn2)c1C#N ZINC000105373171 619091520 /nfs/dbraw/zinc/09/15/20/619091520.db2.gz BAYVDVRVENSTHO-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM C=CCC(C)(C)C/N=C\c1c([O-])c(C)ncc1CO ZINC000840707187 619860724 /nfs/dbraw/zinc/86/07/24/619860724.db2.gz SXMLHNJEWWLQLX-PXNMLYILSA-N -1 3 262.353 2.609 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC2=CCCCC2)c1[O-] ZINC000840707877 619870765 /nfs/dbraw/zinc/87/07/65/619870765.db2.gz SNVBMOATFQINBY-SXGWCWSVSA-N -1 3 260.337 2.507 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\CCOC1CCOCC1 ZINC000899227633 620532777 /nfs/dbraw/zinc/53/27/77/620532777.db2.gz OUXSSOPQRJXWTL-YBEGLDIGSA-N -1 3 283.755 2.660 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CCC(F)(F)C2)c1[O-] ZINC000899232925 620534425 /nfs/dbraw/zinc/53/44/25/620534425.db2.gz XSMQMJCQPMIXTD-LJZVVVFJSA-N -1 3 298.333 2.832 20 30 CFEDHM CCn1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1 ZINC000899345281 620547354 /nfs/dbraw/zinc/54/73/54/620547354.db2.gz JNJMJNNIYANVPS-NDVARNPJSA-N -1 3 287.294 2.526 20 30 CFEDHM O=C(C[C@@H]1COC(=O)C1)N([O-])Cc1cccc2ccccc21 ZINC000904170411 621540834 /nfs/dbraw/zinc/54/08/34/621540834.db2.gz BWTFYWDDWGBJBC-LBPRGKRZSA-N -1 3 299.326 2.511 20 30 CFEDHM C[C@]1(C(=O)N([O-])Cc2cccc3ccccc32)CCOC1 ZINC000904170258 621540860 /nfs/dbraw/zinc/54/08/60/621540860.db2.gz ANFLCWYERPYSKF-KRWDZBQOSA-N -1 3 285.343 2.984 20 30 CFEDHM COC1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904173229 621541719 /nfs/dbraw/zinc/54/17/19/621541719.db2.gz HJBSSKLICLFUKT-UHFFFAOYSA-N -1 3 281.327 2.749 20 30 CFEDHM CC(C)[C@@H]1C[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173288 621541725 /nfs/dbraw/zinc/54/17/25/621541725.db2.gz IFXPDHLXTPAVKB-STQMWFEESA-N -1 3 251.301 2.836 20 30 CFEDHM CSCC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172921 621541764 /nfs/dbraw/zinc/54/17/64/621541764.db2.gz DRHZLMJIAOIFSX-UHFFFAOYSA-N -1 3 271.357 2.933 20 30 CFEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)C(F)F ZINC000904173410 621542095 /nfs/dbraw/zinc/54/20/95/621542095.db2.gz LWOGILNADWSRIK-UHFFFAOYSA-N -1 3 261.243 2.835 20 30 CFEDHM CC(C)c1nccn1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178569 621543731 /nfs/dbraw/zinc/54/37/31/621543731.db2.gz OJDDCRAVGKGPIX-UHFFFAOYSA-N -1 3 291.326 2.564 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cnc(C2CC2)o1 ZINC000904206588 621543985 /nfs/dbraw/zinc/54/39/85/621543985.db2.gz CKTMVSUVEWVKFV-UHFFFAOYSA-N -1 3 252.314 2.964 20 30 CFEDHM CCCCCCN([O-])C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000904206717 621544193 /nfs/dbraw/zinc/54/41/93/621544193.db2.gz FFFUKZPDQLAUKA-JKSUJKDBSA-N -1 3 297.395 2.906 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)OCc1ccccc1 ZINC000904208672 621544545 /nfs/dbraw/zinc/54/45/45/621544545.db2.gz GEVMMDDGVKXVJD-LBPRGKRZSA-N -1 3 251.326 2.610 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H]1Cc2ccccc2S1 ZINC000904207803 621544574 /nfs/dbraw/zinc/54/45/74/621544574.db2.gz CGSGKDMPYOELGU-LBPRGKRZSA-N -1 3 251.351 2.721 20 30 CFEDHM CCCCN([O-])C(=O)Cc1csc(-c2cccnc2)n1 ZINC000904208407 621544638 /nfs/dbraw/zinc/54/46/38/621544638.db2.gz YBYXCORZBQMNDI-UHFFFAOYSA-N -1 3 291.376 2.766 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)Sc1ccccn1 ZINC000904209967 621545041 /nfs/dbraw/zinc/54/50/41/621545041.db2.gz BXKLEERZJCBVDT-SNVBAGLBSA-N -1 3 254.355 2.580 20 30 CFEDHM CCCCN([O-])C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000904209958 621545097 /nfs/dbraw/zinc/54/50/97/621545097.db2.gz BNQXKEQFNFEXCT-UHFFFAOYSA-N -1 3 290.363 2.596 20 30 CFEDHM O=C(C1SCCS1)N([O-])Cc1ccccc1Cl ZINC000904190437 621545860 /nfs/dbraw/zinc/54/58/60/621545860.db2.gz LWFUNVIVABNCHG-UHFFFAOYSA-N -1 3 289.809 2.864 20 30 CFEDHM O=C([C@H]1C[C@@H]1C(F)F)N([O-])Cc1ccccc1Cl ZINC000904193026 621546815 /nfs/dbraw/zinc/54/68/15/621546815.db2.gz JGSMDGUKFLYXJB-IUCAKERBSA-N -1 3 275.682 2.959 20 30 CFEDHM COC[C@H](C)[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193087 621546820 /nfs/dbraw/zinc/54/68/20/621546820.db2.gz KROACDKBXIYHFY-WDEREUQCSA-N -1 3 285.771 2.976 20 30 CFEDHM COC(=O)CCCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197734 621548767 /nfs/dbraw/zinc/54/87/67/621548767.db2.gz NIIJBOLGTJNIQJ-UHFFFAOYSA-N -1 3 293.363 2.570 20 30 CFEDHM C[C@@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CO1 ZINC000904197863 621548771 /nfs/dbraw/zinc/54/87/71/621548771.db2.gz OZCDRETYJIRTIY-UKRRQHHQSA-N -1 3 277.364 2.652 20 30 CFEDHM O=C(C1CCOCC1)N([O-])CCCCc1ccccc1 ZINC000904201495 621549274 /nfs/dbraw/zinc/54/92/74/621549274.db2.gz AJQFUSNOZFFBBN-UHFFFAOYSA-N -1 3 277.364 2.654 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1cccc(OCC#N)c1 ZINC000904204631 621550396 /nfs/dbraw/zinc/55/03/96/621550396.db2.gz PYBASUQVGFAXCC-UHFFFAOYSA-N -1 3 290.363 2.930 20 30 CFEDHM CCCCCCN([O-])C(=O)c1ccn(CC(F)F)n1 ZINC000904205075 621550438 /nfs/dbraw/zinc/55/04/38/621550438.db2.gz ZSMQTTPQGMXRPW-UHFFFAOYSA-N -1 3 275.299 2.560 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1ccc(=O)[nH]c1 ZINC000904204776 621550706 /nfs/dbraw/zinc/55/07/06/621550706.db2.gz UXCIHCKJFRMSEV-UHFFFAOYSA-N -1 3 266.341 2.518 20 30 CFEDHM CCCCCCN([O-])C(=O)CCCc1nc(CC)no1 ZINC000904205564 621551013 /nfs/dbraw/zinc/55/10/13/621551013.db2.gz MWTQGYAQKMVXPQ-UHFFFAOYSA-N -1 3 283.372 2.753 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)OCCc1ccccc1 ZINC000904215000 621551265 /nfs/dbraw/zinc/55/12/65/621551265.db2.gz VWYXOZBPMFBIPS-CYBMUJFWSA-N -1 3 265.353 2.652 20 30 CFEDHM CCCCN([O-])C(=O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000904215946 621551575 /nfs/dbraw/zinc/55/15/75/621551575.db2.gz RJMSDFRZKVCYOF-ZDUSSCGKSA-N -1 3 292.379 2.662 20 30 CFEDHM CCCCN([O-])C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000904215513 621551887 /nfs/dbraw/zinc/55/18/87/621551887.db2.gz AYTOILGNIVHUGS-YIZWMMSDSA-N -1 3 250.342 2.724 20 30 CFEDHM CCCCN([O-])C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000904212199 621553793 /nfs/dbraw/zinc/55/37/93/621553793.db2.gz AXKHYHCMOXDGBA-MNOVXSKESA-N -1 3 288.388 2.554 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000904212200 621553886 /nfs/dbraw/zinc/55/38/86/621553886.db2.gz AXKHYHCMOXDGBA-QWRGUYRKSA-N -1 3 288.388 2.554 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC000904213752 621554304 /nfs/dbraw/zinc/55/43/04/621554304.db2.gz ZQYPEAUQNSUODS-OCCSQVGLSA-N -1 3 293.363 2.825 20 30 CFEDHM CCCCN([O-])C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000904213593 621554323 /nfs/dbraw/zinc/55/43/23/621554323.db2.gz TVXCQWLPWDTQAE-UHFFFAOYSA-N -1 3 258.321 2.608 20 30 CFEDHM CCCCN([O-])C(=O)c1sc([C@H]2CCCOC2)nc1C ZINC000904213590 621554392 /nfs/dbraw/zinc/55/43/92/621554392.db2.gz 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CC(C)(C)c1nc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000873498008 642224221 /nfs/dbraw/zinc/22/42/21/642224221.db2.gz QZFNWGKHPHMRLB-JTQLQIEISA-N -1 3 269.304 2.857 20 30 CFEDHM C=CCCC(C)(C)CNC(=O)c1ccc(N)cc1[O-] ZINC000877147950 643177016 /nfs/dbraw/zinc/17/70/16/643177016.db2.gz PVURWTHXRUDQQF-UHFFFAOYSA-N -1 3 262.353 2.697 20 30 CFEDHM C=CC1(CC(=O)[N-]OCCCC(=O)OC)CCCCC1 ZINC000888817848 644735760 /nfs/dbraw/zinc/73/57/60/644735760.db2.gz JGWCKDCHNQQECD-UHFFFAOYSA-N -1 3 283.368 2.514 20 30 CFEDHM Cc1cc(F)c(C#N)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000880990993 644890041 /nfs/dbraw/zinc/89/00/41/644890041.db2.gz OPNWTRDHVRYINL-CYBMUJFWSA-N -1 3 293.298 2.586 20 30 CFEDHM Cc1cc(F)c(C#N)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000880990993 644890045 /nfs/dbraw/zinc/89/00/45/644890045.db2.gz OPNWTRDHVRYINL-CYBMUJFWSA-N -1 3 293.298 2.586 20 30 CFEDHM CCCCCCCS(=O)(=O)[N-][C@H](C)C(F)F ZINC000882871017 645484332 /nfs/dbraw/zinc/48/43/32/645484332.db2.gz WVTJEKHKANZONH-SECBINFHSA-N -1 3 257.346 2.530 20 30 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O=C(CCCSc1nc2ccccc2s1)N[O-] ZINC000671998119 539596586 /nfs/dbraw/zinc/59/65/86/539596586.db2.gz YIOZTPHVUFQFQS-UHFFFAOYSA-N -1 3 268.363 2.674 20 30 CFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCC1 ZINC000157700905 348001233 /nfs/dbraw/zinc/00/12/33/348001233.db2.gz JUTQTLYADGIOBC-SECBINFHSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cc(C(=O)NCc2ccc(C#N)cc2F)ccc1[O-] ZINC000226718116 348184425 /nfs/dbraw/zinc/18/44/25/348184425.db2.gz PLFQRQAIQYSBDZ-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM Cc1ccccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000302221729 348372892 /nfs/dbraw/zinc/37/28/92/348372892.db2.gz KINVDFLKFQXGCF-AWEZNQCLSA-N -1 3 294.358 2.803 20 30 CFEDHM N#C[C@@]1(F)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000589513722 348836737 /nfs/dbraw/zinc/83/67/37/348836737.db2.gz XFDHRZMLDUVGIQ-LBPRGKRZSA-N -1 3 288.244 2.849 20 30 CFEDHM N#C[C@]1(F)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000589513721 348837348 /nfs/dbraw/zinc/83/73/48/348837348.db2.gz XFDHRZMLDUVGIQ-GFCCVEGCSA-N -1 3 288.244 2.849 20 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/nfs/dbraw/zinc/82/22/68/350822268.db2.gz LUXJSHOJAPNDJX-GFCCVEGCSA-N -1 3 298.433 2.636 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2nocc2C)s1 ZINC000602248209 350855781 /nfs/dbraw/zinc/85/57/81/350855781.db2.gz PVNACPDSHYVFCC-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM Cc1cccc(NC(=O)c2ccc(C#N)s2)c1[O-] ZINC000610528400 351579098 /nfs/dbraw/zinc/57/90/98/351579098.db2.gz WSEIPDQDDBFOGK-UHFFFAOYSA-N -1 3 258.302 2.886 20 30 CFEDHM [O-]c1ccccc1/C=N/[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000124145093 187123656 /nfs/dbraw/zinc/12/36/56/187123656.db2.gz OOYCAKQTKVZJBL-OTHRBXBHSA-N -1 3 257.333 2.769 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000613276050 351930054 /nfs/dbraw/zinc/93/00/54/351930054.db2.gz YEVFTKVSWKTKGD-SNVBAGLBSA-N -1 3 273.336 2.743 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1cncc([O-])c1 ZINC000617044695 352479639 /nfs/dbraw/zinc/47/96/39/352479639.db2.gz QUMSTDLMBPKZAJ-ZFWWWQNUSA-N -1 3 274.364 2.581 20 30 CFEDHM C=CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@@H](C)COC 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C#C[C@@H](C)NCc1cc(Br)c([O-])c(OCC)c1 ZINC000298033187 200320045 /nfs/dbraw/zinc/32/00/45/200320045.db2.gz GFZAZWAOKCXCBB-SECBINFHSA-N -1 3 298.180 2.665 20 30 CFEDHM C#CCN(Cc1ccc(F)cc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000298251694 200372413 /nfs/dbraw/zinc/37/24/13/200372413.db2.gz UFYZELRDLCMGOA-CYBMUJFWSA-N -1 3 299.349 2.826 20 30 CFEDHM Cc1ccc([C@H](NCc2cccc(C#N)c2)C(=O)[O-])cc1 ZINC000426702035 239251863 /nfs/dbraw/zinc/25/18/63/239251863.db2.gz CUIAJEQOZLJZRX-INIZCTEOSA-N -1 3 280.327 2.782 20 30 CFEDHM COC(=O)c1cnc(SCc2ccc(C#N)c(C)c2)[n-]1 ZINC000432666050 240028175 /nfs/dbraw/zinc/02/81/75/240028175.db2.gz DACDNWGQWBKGCJ-UHFFFAOYSA-N -1 3 287.344 2.669 20 30 CFEDHM Cc1c2cccc(Br)c2oc1C(=O)N[O-] ZINC000671995116 541411023 /nfs/dbraw/zinc/41/10/23/541411023.db2.gz DTUXJTGBZZSSIY-UHFFFAOYSA-N -1 3 270.082 2.623 20 30 CFEDHM O=C(N[O-])c1cccc(Oc2ccc(Cl)cc2)n1 ZINC000671996211 541410256 /nfs/dbraw/zinc/41/02/56/541410256.db2.gz QYMIVGNKPCIAJA-UHFFFAOYSA-N -1 3 264.668 2.646 20 30 CFEDHM CCC#C[C@H](C)Sc1nnc(-c2ccccn2)[n-]1 ZINC000677132602 541826019 /nfs/dbraw/zinc/82/60/19/541826019.db2.gz IGVQKPONFUILSM-JTQLQIEISA-N -1 3 258.350 2.761 20 30 CFEDHM CCC#C[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000677132602 541826021 /nfs/dbraw/zinc/82/60/21/541826021.db2.gz IGVQKPONFUILSM-JTQLQIEISA-N -1 3 258.350 2.761 20 30 CFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000040363264 372781325 /nfs/dbraw/zinc/78/13/25/372781325.db2.gz RNIPSWLGYBHRAE-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000046705848 373058858 /nfs/dbraw/zinc/05/88/58/373058858.db2.gz QCTICUGYSXLZGB-GFCCVEGCSA-N -1 3 281.271 2.788 20 30 CFEDHM N#Cc1ccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000492212660 246221944 /nfs/dbraw/zinc/22/19/44/246221944.db2.gz BBBXLCFZYDPIJG-SOFGYWHQSA-N -1 3 296.301 2.733 20 30 CFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccccc1F ZINC000089495668 374915247 /nfs/dbraw/zinc/91/52/47/374915247.db2.gz SEIBVOJQJPJBDQ-UHFFFAOYSA-N -1 3 298.383 2.967 20 30 CFEDHM C[C@H]1CC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)C[C@H](C)O1 ZINC000094036986 375336695 /nfs/dbraw/zinc/33/66/95/375336695.db2.gz JCYVTIBFRASTGV-WDSKDSINSA-N -1 3 292.261 2.615 20 30 CFEDHM C[C@H]1CC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)C[C@H](C)O1 ZINC000094036986 375336702 /nfs/dbraw/zinc/33/67/02/375336702.db2.gz JCYVTIBFRASTGV-WDSKDSINSA-N -1 3 292.261 2.615 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/CCOC2CCCCCC2)c1O ZINC000118169796 376273415 /nfs/dbraw/zinc/27/34/15/376273415.db2.gz ITQXQRPHQJOAIY-GZTJUZNOSA-N -1 3 293.363 2.962 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529511668 383715043 /nfs/dbraw/zinc/71/50/43/383715043.db2.gz KDNZXEUAJUHWNJ-UONOGXRCSA-N -1 3 263.312 2.943 20 30 CFEDHM CCCOc1ccc(/C=N/CC(C)(C)C(=O)OC)c([O-])c1 ZINC000129357027 377416226 /nfs/dbraw/zinc/41/62/26/377416226.db2.gz MFGXSLUZRFBPSG-LICLKQGHSA-N -1 3 293.363 2.799 20 30 CFEDHM C[C@@H](CCc1cccn1C)/N=C/c1ccc(O)c([O-])c1O ZINC000132354242 377829870 /nfs/dbraw/zinc/82/98/70/377829870.db2.gz RJBROPBQXYJPAZ-MUOOZZNISA-N -1 3 288.347 2.582 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000152146182 378397804 /nfs/dbraw/zinc/39/78/04/378397804.db2.gz BCGIKGBXQANRKM-JTQLQIEISA-N -1 3 288.322 2.670 20 30 CFEDHM CCS[C@@H]1CCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329911613 378512447 /nfs/dbraw/zinc/51/24/47/378512447.db2.gz NVSNTQBVSFLBCL-VXNVDRBHSA-N -1 3 272.395 2.828 20 30 CFEDHM N#C[C@@H](NC(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000329915611 378512714 /nfs/dbraw/zinc/51/27/14/378512714.db2.gz PSPYGYIEESKDDV-SECBINFHSA-N -1 3 265.338 2.626 20 30 CFEDHM Cc1noc(C)c1[C@H](C)CNC(=O)c1csc(=O)[n-]1 ZINC000329917233 378512935 /nfs/dbraw/zinc/51/29/35/378512935.db2.gz QSZKEVFWEJJWFF-ZCFIWIBFSA-N -1 3 281.337 2.562 20 30 CFEDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329925545 378514001 /nfs/dbraw/zinc/51/40/01/378514001.db2.gz VNLKOVKHWLSNAF-GXSJLCMTSA-N -1 3 298.408 2.995 20 30 CFEDHM CCC[C@@H](NC(=O)c1c[n-]nn1)C1CCCCC1 ZINC000330512246 378574850 /nfs/dbraw/zinc/57/48/50/378574850.db2.gz FVURDMJLVPIFMJ-LLVKDONJSA-N -1 3 250.346 2.858 20 30 CFEDHM CCC[C@@H](NC(=O)c1cnn[n-]1)C1CCCCC1 ZINC000330512246 378574856 /nfs/dbraw/zinc/57/48/56/378574856.db2.gz FVURDMJLVPIFMJ-LLVKDONJSA-N -1 3 250.346 2.858 20 30 CFEDHM CCC[C@@H](NC(=O)c1cn[n-]n1)C1CCCCC1 ZINC000330512246 378574863 /nfs/dbraw/zinc/57/48/63/378574863.db2.gz FVURDMJLVPIFMJ-LLVKDONJSA-N -1 3 250.346 2.858 20 30 CFEDHM CC1(C#N)CN(Cc2cccc([O-])c2Br)C1 ZINC000335347175 379133704 /nfs/dbraw/zinc/13/37/04/379133704.db2.gz URZIDGOHLDLYIQ-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000334386679 379206622 /nfs/dbraw/zinc/20/66/22/379206622.db2.gz OANKNDSHMYXRBV-UHFFFAOYSA-N -1 3 256.261 2.726 20 30 CFEDHM Cc1cccc(NC(=O)c2cccc(C#N)c2)c1[O-] ZINC000174956187 379968736 /nfs/dbraw/zinc/96/87/36/379968736.db2.gz OMCIOLBDDURHOB-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM CC(=O)c1ccc(C(=O)[N-]c2ccc(F)cc2C#N)o1 ZINC000335908290 380088280 /nfs/dbraw/zinc/08/82/80/380088280.db2.gz STPIWSOYEKOFBV-UHFFFAOYSA-N -1 3 272.235 2.745 20 30 CFEDHM CC[S@@](=O)[C@@H]1CCC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000175896458 380151259 /nfs/dbraw/zinc/15/12/59/380151259.db2.gz KILULSIFXFDDBX-JFXPUTLJSA-N -1 3 279.405 2.891 20 30 CFEDHM CCc1nc(C(=O)[N-]c2sccc2C#N)c(C)o1 ZINC000336520583 380402659 /nfs/dbraw/zinc/40/26/59/380402659.db2.gz XNTBVSFYOTZPIR-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM N#Cc1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182913570 381183901 /nfs/dbraw/zinc/18/39/01/381183901.db2.gz LNCOCULSYPEQRF-UHFFFAOYSA-N -1 3 292.338 2.786 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)oc2c1C(=O)CCC2 ZINC000049458627 412943189 /nfs/dbraw/zinc/94/31/89/412943189.db2.gz QOUVCJNYCSTURL-LLVKDONJSA-N -1 3 294.310 2.992 20 30 CFEDHM CCO[N-]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000184050814 381362041 /nfs/dbraw/zinc/36/20/41/381362041.db2.gz VCVKEUYEFCYDGV-UHFFFAOYSA-N -1 3 273.214 2.650 20 30 CFEDHM COc1ccc(C#N)cc1NCc1nc(C)ccc1[O-] ZINC000354867728 381495397 /nfs/dbraw/zinc/49/53/97/381495397.db2.gz LWKYOPOJEWKJKR-UHFFFAOYSA-N -1 3 269.304 2.588 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1c[n-]nc1-c1ccccn1 ZINC000355682226 381794818 /nfs/dbraw/zinc/79/48/18/381794818.db2.gz WOOIRHGJWPUJJK-GFCCVEGCSA-N -1 3 284.363 2.946 20 30 CFEDHM C=CCN(C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O)C1CC1 ZINC000361595432 381849143 /nfs/dbraw/zinc/84/91/43/381849143.db2.gz VKCZRLZZWSMIIS-UHFFFAOYSA-N -1 3 296.370 2.936 20 30 CFEDHM Cn1cccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362141637 381926686 /nfs/dbraw/zinc/92/66/86/381926686.db2.gz YCSVQUYAXCZEPD-SNVBAGLBSA-N -1 3 293.248 2.929 20 30 CFEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)C#N)c2)n1 ZINC000376481308 382139461 /nfs/dbraw/zinc/13/94/61/382139461.db2.gz DIELMXOZTRZRTM-UHFFFAOYSA-N -1 3 296.330 2.646 20 30 CFEDHM C=CCN(CCc1ccco1)C(=O)c1cccc([O-])c1 ZINC000357500949 382198018 /nfs/dbraw/zinc/19/80/18/382198018.db2.gz OADCYNZSNHULMZ-UHFFFAOYSA-N -1 3 271.316 2.856 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccoc3)nc21 ZINC000345373767 382299410 /nfs/dbraw/zinc/29/94/10/382299410.db2.gz MGOOVMMHRPMYJV-LLVKDONJSA-N -1 3 265.272 2.954 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cscn3)nc21 ZINC000345405133 382301650 /nfs/dbraw/zinc/30/16/50/382301650.db2.gz VWWAHJZPNBOAPC-SECBINFHSA-N -1 3 282.328 2.818 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cscn3)[nH]c21 ZINC000345405133 382301656 /nfs/dbraw/zinc/30/16/56/382301656.db2.gz VWWAHJZPNBOAPC-SECBINFHSA-N -1 3 282.328 2.818 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000352648389 382432279 /nfs/dbraw/zinc/43/22/79/382432279.db2.gz SLVCEKJWEASPRG-LBPRGKRZSA-N -1 3 296.326 2.978 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1c(C)noc1C ZINC000294106108 382418158 /nfs/dbraw/zinc/41/81/58/382418158.db2.gz SLFMESXRDLWJPK-UHFFFAOYSA-N -1 3 272.295 2.854 20 30 CFEDHM CC[C@@H](CC#N)NCc1cccc([O-])c1Br ZINC000315306398 382526994 /nfs/dbraw/zinc/52/69/94/382526994.db2.gz YZGZPUREXALGGM-JTQLQIEISA-N -1 3 283.169 2.937 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000353158238 382502431 /nfs/dbraw/zinc/50/24/31/382502431.db2.gz WIURXVWXWMADNL-JTQLQIEISA-N -1 3 298.795 2.845 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000353158003 382502626 /nfs/dbraw/zinc/50/26/26/382502626.db2.gz YLTFNUZZIRMBJY-SNVBAGLBSA-N -1 3 275.320 2.598 20 30 CFEDHM C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)C1CCCC1 ZINC000328653300 382560363 /nfs/dbraw/zinc/56/03/63/382560363.db2.gz KZVNACKPUWTVOJ-QMMMGPOBSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)C1CCCC1 ZINC000328653300 382560366 /nfs/dbraw/zinc/56/03/66/382560366.db2.gz KZVNACKPUWTVOJ-QMMMGPOBSA-N -1 3 276.315 2.980 20 30 CFEDHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C1CCCC1 ZINC000328653300 382560369 /nfs/dbraw/zinc/56/03/69/382560369.db2.gz KZVNACKPUWTVOJ-QMMMGPOBSA-N -1 3 276.315 2.980 20 30 CFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC1 ZINC000384870385 382561770 /nfs/dbraw/zinc/56/17/70/382561770.db2.gz QXAUCVFJMIMKFE-UHFFFAOYSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190897254 382684365 /nfs/dbraw/zinc/68/43/65/382684365.db2.gz QVFCYKDDCOPVJY-LBPRGKRZSA-N -1 3 290.326 2.767 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2cccc(C#N)c2)n1 ZINC000192528263 382709939 /nfs/dbraw/zinc/70/99/39/382709939.db2.gz CMGLFNBKWXCDBS-GFCCVEGCSA-N -1 3 282.347 2.555 20 30 CFEDHM Cc1cc(C#N)cnc1C(=O)N1CCCc2cccc([O-])c21 ZINC000575855156 382801493 /nfs/dbraw/zinc/80/14/93/382801493.db2.gz BZFMSDARQCOTMR-UHFFFAOYSA-N -1 3 293.326 2.560 20 30 CFEDHM C=C(CC)CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000456814913 382961768 /nfs/dbraw/zinc/96/17/68/382961768.db2.gz WRTFNOAIIZKPKY-UHFFFAOYSA-N -1 3 288.322 2.672 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1nc(C2CC2)cs1 ZINC000543141419 382971307 /nfs/dbraw/zinc/97/13/07/382971307.db2.gz FCMGIUVCGGUPEF-UHFFFAOYSA-N -1 3 294.405 2.796 20 30 CFEDHM N#CCCC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000580717009 383080036 /nfs/dbraw/zinc/08/00/36/383080036.db2.gz USTJZHVKXNPIKM-UHFFFAOYSA-N -1 3 290.338 2.616 20 30 CFEDHM N#Cc1ccsc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000339186143 383181219 /nfs/dbraw/zinc/18/12/19/383181219.db2.gz PCSDNFNDLHFWTI-UHFFFAOYSA-N -1 3 291.263 2.919 20 30 CFEDHM C=CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000449244111 383185913 /nfs/dbraw/zinc/18/59/13/383185913.db2.gz PVVULIXNXLANSQ-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM C=CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000449244111 383185918 /nfs/dbraw/zinc/18/59/18/383185918.db2.gz PVVULIXNXLANSQ-UHFFFAOYSA-N -1 3 297.362 2.942 20 30 CFEDHM Cc1cc([N-]c2ncc(C#N)cc2F)nn1[C@H](C)C1CC1 ZINC000519630973 383231813 /nfs/dbraw/zinc/23/18/13/383231813.db2.gz USALVRXYFIPAOD-SNVBAGLBSA-N -1 3 285.326 2.734 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000449890142 383370167 /nfs/dbraw/zinc/37/01/67/383370167.db2.gz SNLASGAKJQZRMX-SNVBAGLBSA-N -1 3 273.336 2.656 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000449890142 383370172 /nfs/dbraw/zinc/37/01/72/383370172.db2.gz SNLASGAKJQZRMX-SNVBAGLBSA-N -1 3 273.336 2.656 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000472323167 383381302 /nfs/dbraw/zinc/38/13/02/383381302.db2.gz DPGMVLUMKXLYLF-MRVPVSSYSA-N -1 3 283.324 2.733 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000428047270 383419608 /nfs/dbraw/zinc/41/96/08/383419608.db2.gz DOCCOQFCTJWOHW-LBPRGKRZSA-N -1 3 291.347 2.590 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)s1 ZINC000528530101 383572686 /nfs/dbraw/zinc/57/26/86/383572686.db2.gz MEUYLAFLUCQUGU-LLVKDONJSA-N -1 3 296.417 2.644 20 30 CFEDHM N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2ccccc2[nH]1 ZINC000528911350 383675258 /nfs/dbraw/zinc/67/52/58/383675258.db2.gz XSBARCYNDYPHJI-LBPRGKRZSA-N -1 3 291.314 2.584 20 30 CFEDHM COc1cc(CNC(=O)c2cccc(C)c2[O-])ccc1C#N ZINC000436563672 383837198 /nfs/dbraw/zinc/83/71/98/383837198.db2.gz OBALXEDCSGYJDC-UHFFFAOYSA-N -1 3 296.326 2.511 20 30 CFEDHM CC(C)c1ccc(C(=O)N2CCC(F)(C#N)CC2)c([O-])c1 ZINC000436838981 383897654 /nfs/dbraw/zinc/89/76/54/383897654.db2.gz KPWZULSXIMRLHF-UHFFFAOYSA-N -1 3 290.338 2.983 20 30 CFEDHM CC(C)c1ccc(C(=O)NCC2(CC#N)CC2)c([O-])c1 ZINC000437002073 383899870 /nfs/dbraw/zinc/89/98/70/383899870.db2.gz QNSXHKLONXJWQK-UHFFFAOYSA-N -1 3 272.348 2.939 20 30 CFEDHM COc1cc(-c2noc(C3(C#N)CCCC3)n2)ccc1[O-] ZINC000267134300 384306819 /nfs/dbraw/zinc/30/68/19/384306819.db2.gz WHNRPXPUBRURQA-UHFFFAOYSA-N -1 3 285.303 2.786 20 30 CFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000270156117 384997198 /nfs/dbraw/zinc/99/71/98/384997198.db2.gz ISHJYSUREHSRSE-UHFFFAOYSA-N -1 3 289.759 2.561 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000280642459 385097124 /nfs/dbraw/zinc/09/71/24/385097124.db2.gz NGOURMZQXVYIIQ-UHFFFAOYSA-N -1 3 290.348 2.861 20 30 CFEDHM N#C[C@H]1CC[C@@H](N2CCC(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000645092113 385183293 /nfs/dbraw/zinc/18/32/93/385183293.db2.gz JRMZIOVWNBQOLO-XJKSGUPXSA-N -1 3 298.386 2.979 20 30 CFEDHM CC(C)(C)[C@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000270580016 385153226 /nfs/dbraw/zinc/15/32/26/385153226.db2.gz FHUVQIBLKQYLSW-LSHCIZBJSA-N -1 3 293.363 2.816 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000272229728 385480755 /nfs/dbraw/zinc/48/07/55/385480755.db2.gz JQYIPWJTGVETSC-UHFFFAOYSA-N -1 3 287.356 2.931 20 30 CFEDHM N#CCCN(Cc1cccnc1)Cc1ccccc1[O-] ZINC000179552505 393467558 /nfs/dbraw/zinc/46/75/58/393467558.db2.gz ZCNRCUUQNOVBMV-UHFFFAOYSA-N -1 3 267.332 2.703 20 30 CFEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000194765591 393716613 /nfs/dbraw/zinc/71/66/13/393716613.db2.gz WWYBZCMSKROFOG-UHFFFAOYSA-N -1 3 273.317 2.657 20 30 CFEDHM CC(C)(CC#N)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000413417216 393783409 /nfs/dbraw/zinc/78/34/09/393783409.db2.gz YYSKLZYYHYBYRN-UHFFFAOYSA-N -1 3 263.288 2.936 20 30 CFEDHM C=C[C@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000338818731 393802007 /nfs/dbraw/zinc/80/20/07/393802007.db2.gz GHNSUHNHSOUGFK-ZETCQYMHSA-N -1 3 259.227 2.715 20 30 CFEDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000416555019 393927999 /nfs/dbraw/zinc/92/79/99/393927999.db2.gz WVPSBQMXJXSWNL-CMPLNLGQSA-N -1 3 298.795 2.534 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1CC1(C)C ZINC000416647453 393935307 /nfs/dbraw/zinc/93/53/07/393935307.db2.gz MFONUUBUEMCDPK-MNOVXSKESA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000416950358 393946737 /nfs/dbraw/zinc/94/67/37/393946737.db2.gz FEJMPHAHJOJLQN-LLVKDONJSA-N -1 3 295.408 2.941 20 30 CFEDHM C=CCCN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000349319397 393967544 /nfs/dbraw/zinc/96/75/44/393967544.db2.gz IAVOAXKFZCTXDH-UHFFFAOYSA-N -1 3 298.180 2.732 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1 ZINC000417603739 393982215 /nfs/dbraw/zinc/98/22/15/393982215.db2.gz ADFFXIYHSPAMMD-SNVBAGLBSA-N -1 3 271.719 2.988 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccccc1Cl ZINC000417620233 393984882 /nfs/dbraw/zinc/98/48/82/393984882.db2.gz CTLRQUGAUKMXEW-NSHDSACASA-N -1 3 253.729 2.849 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc2c1OC(C)(C)C2 ZINC000417626229 393986038 /nfs/dbraw/zinc/98/60/38/393986038.db2.gz NUSMFBCAJBSVHY-CQSZACIVSA-N -1 3 289.375 2.909 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(OC)c(Cl)c1 ZINC000417627396 393986531 /nfs/dbraw/zinc/98/65/31/393986531.db2.gz PEIGBVNKWFEBFA-LLVKDONJSA-N -1 3 283.755 2.858 20 30 CFEDHM C=CC[C@H](CC)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000451416988 394376141 /nfs/dbraw/zinc/37/61/41/394376141.db2.gz HAXZYDCVEMXVMX-NSHDSACASA-N -1 3 251.301 2.545 20 30 CFEDHM COc1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000047343360 397585134 /nfs/dbraw/zinc/58/51/34/397585134.db2.gz DWAMTCYLJVSAKE-UHFFFAOYSA-N -1 3 295.302 2.512 20 30 CFEDHM COc1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000047343360 397585135 /nfs/dbraw/zinc/58/51/35/397585135.db2.gz DWAMTCYLJVSAKE-UHFFFAOYSA-N -1 3 295.302 2.512 20 30 CFEDHM COc1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000047343360 397585136 /nfs/dbraw/zinc/58/51/36/397585136.db2.gz DWAMTCYLJVSAKE-UHFFFAOYSA-N -1 3 295.302 2.512 20 30 CFEDHM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1[O-] ZINC000051637704 397589806 /nfs/dbraw/zinc/58/98/06/397589806.db2.gz SDFANBLINSGVMZ-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM CON(C)C(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001243132801 782004764 /nfs/dbraw/zinc/00/47/64/782004764.db2.gz PHQKSGBDJBKTMT-UHFFFAOYSA-N -1 3 284.315 2.795 20 30 CFEDHM N#Cc1ccsc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000348004739 154285983 /nfs/dbraw/zinc/28/59/83/154285983.db2.gz KCWIDSCLUDFRHD-UHFFFAOYSA-N -1 3 291.263 2.919 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)CCCC1 ZINC000657186647 413331248 /nfs/dbraw/zinc/33/12/48/413331248.db2.gz GLQHGUCCIBIXEB-UHFFFAOYSA-N -1 3 297.424 2.700 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@@H](OC)C1CCCCC1 ZINC000657251367 413367324 /nfs/dbraw/zinc/36/73/24/413367324.db2.gz CRMLRTRMZNJPKL-GFCCVEGCSA-N -1 3 297.424 2.857 20 30 CFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccs1 ZINC000344311106 162006181 /nfs/dbraw/zinc/00/61/81/162006181.db2.gz XKBPPKMPJYOKRJ-JTQLQIEISA-N -1 3 296.373 2.642 20 30 CFEDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1C#N ZINC000352035014 163218401 /nfs/dbraw/zinc/21/84/01/163218401.db2.gz KVGVRVSXKDMKGQ-XQRVVYSFSA-N -1 3 267.288 2.541 20 30 CFEDHM C=CCOCCCNCc1cccc([O-])c1Cl ZINC000657659462 413827066 /nfs/dbraw/zinc/82/70/66/413827066.db2.gz YDCODRSAXJGHFL-UHFFFAOYSA-N -1 3 255.745 2.728 20 30 CFEDHM CC(=O)c1cccc(NC(=O)CCCCC#N)c1[O-] ZINC000655081395 414086910 /nfs/dbraw/zinc/08/69/10/414086910.db2.gz FZTDKMDKWYDLKC-UHFFFAOYSA-N -1 3 260.293 2.617 20 30 CFEDHM CCc1c[nH]c(=O)c(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000659010660 414430678 /nfs/dbraw/zinc/43/06/78/414430678.db2.gz VECSHSYYCNFWRK-LLVKDONJSA-N -1 3 287.344 2.605 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(OC2CC2)c1F ZINC000656566284 414609452 /nfs/dbraw/zinc/60/94/52/414609452.db2.gz GOXWSISDSRINOD-LBPRGKRZSA-N -1 3 293.338 2.876 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])c(C)o1 ZINC000659801535 414560575 /nfs/dbraw/zinc/56/05/75/414560575.db2.gz GHWMXCMYNAFVKO-TXEJJXNPSA-N -1 3 261.321 2.969 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000660143337 414670250 /nfs/dbraw/zinc/67/02/50/414670250.db2.gz QUKHGBCSKAFJLV-UHFFFAOYSA-N -1 3 285.413 2.556 20 30 CFEDHM Cc1ccc(C(=O)C(=O)[N-]c2nnc3ccccn32)cc1 ZINC000033175312 225359929 /nfs/dbraw/zinc/35/99/29/225359929.db2.gz KAVLZGSPCYMXIQ-UHFFFAOYSA-N -1 3 280.287 2.509 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Cl ZINC000354464601 227001513 /nfs/dbraw/zinc/00/15/13/227001513.db2.gz JUHGNGIDIFOCIS-NSHDSACASA-N -1 3 271.707 2.929 20 30 CFEDHM COc1cccc(C(=O)N(CCC#N)CCC(C)C)c1[O-] ZINC000084410064 260362637 /nfs/dbraw/zinc/36/26/37/260362637.db2.gz YLHIPZCQCQZEAW-UHFFFAOYSA-N -1 3 290.363 2.803 20 30 CFEDHM COc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCCC2)cc1 ZINC000131381589 260873582 /nfs/dbraw/zinc/87/35/82/260873582.db2.gz GTOTVZSJWCDCJR-UHFFFAOYSA-N -1 3 294.301 2.740 20 30 CFEDHM C[C@@H](CCC#N)Sc1n[n-]c(-c2ccccn2)n1 ZINC000188316801 262154006 /nfs/dbraw/zinc/15/40/06/262154006.db2.gz AZEIJZRNYYKQPB-VIFPVBQESA-N -1 3 259.338 2.651 20 30 CFEDHM CCc1ccc(C(=O)N(CC#N)C2CCCC2)c([O-])c1 ZINC000191727215 262194887 /nfs/dbraw/zinc/19/48/87/262194887.db2.gz LDWQHDQIFVTBGO-UHFFFAOYSA-N -1 3 272.348 2.863 20 30 CFEDHM CCO[C@@H]1C[C@H](/N=C/c2ccccc2[O-])[C@@]12CCCO2 ZINC000273509890 263017645 /nfs/dbraw/zinc/01/76/45/263017645.db2.gz NPYVCICTBDYZFH-MAGOQNIRSA-N -1 3 275.348 2.538 20 30 CFEDHM C[C@H]1COCC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000277380740 263040762 /nfs/dbraw/zinc/04/07/62/263040762.db2.gz NFADEQAQHPROPQ-GEJXAPEDSA-N -1 3 298.180 2.999 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/CC1=CCCOC1 ZINC000287374605 263101916 /nfs/dbraw/zinc/10/19/16/263101916.db2.gz ZJTLKJAWMVGNRK-OVCLIPMQSA-N -1 3 296.164 2.920 20 30 CFEDHM CCc1ccc([C@@H](C#N)[N-]C(=O)C(C)(F)F)cc1 ZINC000293989863 263153784 /nfs/dbraw/zinc/15/37/84/263153784.db2.gz LOQGFYVPGYJICA-LLVKDONJSA-N -1 3 252.264 2.585 20 30 CFEDHM CC(C)n1cc(/C=C2/Cc3cccc([O-])c3C2=O)cn1 ZINC000296025739 263184792 /nfs/dbraw/zinc/18/47/92/263184792.db2.gz UXBUFYLZSINJPN-MLPAPPSSSA-N -1 3 268.316 2.992 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC(C)(C)C(C)(C)O)c1 ZINC000330712155 264021465 /nfs/dbraw/zinc/02/14/65/264021465.db2.gz QMBDBDKGQLVPFE-UHFFFAOYSA-N -1 3 265.353 2.809 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1 ZINC000331224839 264149608 /nfs/dbraw/zinc/14/96/08/264149608.db2.gz BOOUPCIDRDAWLV-NEPJUHHUSA-N -1 3 263.337 2.963 20 30 CFEDHM CCN1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000331229872 264152575 /nfs/dbraw/zinc/15/25/75/264152575.db2.gz GVDYMRACSAUTOY-GFCCVEGCSA-N -1 3 262.353 2.571 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@@](C)(CO)C(C)C)c1 ZINC000331183254 264155675 /nfs/dbraw/zinc/15/56/75/264155675.db2.gz IGTDFIPCIFHZPY-HNNXBMFYSA-N -1 3 265.353 2.666 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000331244545 264178584 /nfs/dbraw/zinc/17/85/84/264178584.db2.gz SPDKHSLCKMGKNC-NEPJUHHUSA-N -1 3 263.337 2.963 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C)cc1[O-] ZINC000331251149 264181063 /nfs/dbraw/zinc/18/10/63/264181063.db2.gz XBTWMWUSPPGUSF-WFASDCNBSA-N -1 3 275.348 2.986 20 30 CFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000126664085 264215168 /nfs/dbraw/zinc/21/51/68/264215168.db2.gz JKPRHIIIYOBACZ-UHFFFAOYSA-N -1 3 289.759 2.561 20 30 CFEDHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c([O-])c1 ZINC000334086728 264231303 /nfs/dbraw/zinc/23/13/03/264231303.db2.gz FIBISWMMDSMYJJ-OCCSQVGLSA-N -1 3 272.348 2.938 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000398291939 265580421 /nfs/dbraw/zinc/58/04/21/265580421.db2.gz ZEFBFBZPLLECHQ-JTQLQIEISA-N -1 3 284.406 2.643 20 30 CFEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1F ZINC000357448539 266298547 /nfs/dbraw/zinc/29/85/47/266298547.db2.gz WMVCNGPXJGZADN-CQSZACIVSA-N -1 3 270.263 2.526 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000230340775 267030850 /nfs/dbraw/zinc/03/08/50/267030850.db2.gz AMLNFQNGFFHOAM-SCVCMEIPSA-N -1 3 298.433 2.723 20 30 CFEDHM Cc1c(C#N)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000338625210 267279274 /nfs/dbraw/zinc/27/92/74/267279274.db2.gz IKJUCBXJDVFKBH-AWEZNQCLSA-N -1 3 261.284 2.752 20 30 CFEDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000230341426 270259613 /nfs/dbraw/zinc/25/96/13/270259613.db2.gz VAWYZAHOFFMILF-GHMZBOCLSA-N -1 3 298.433 2.867 20 30 CFEDHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156862515 289945622 /nfs/dbraw/zinc/94/56/22/289945622.db2.gz RJHXDLURELCCIE-LBPRGKRZSA-N -1 3 284.356 2.554 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(C)ccc1[O-] ZINC000330225208 277808927 /nfs/dbraw/zinc/80/89/27/277808927.db2.gz AZXHKMXEVZAPOA-ZYHUDNBSSA-N -1 3 262.309 2.665 20 30 CFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000076935499 280522105 /nfs/dbraw/zinc/52/21/05/280522105.db2.gz DQCHDKAKTKTZFX-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1ccccc1Cl ZINC000172029139 335090117 /nfs/dbraw/zinc/09/01/17/335090117.db2.gz WSOZZPACOCACPU-VIFPVBQESA-N -1 3 276.645 2.973 20 30 CFEDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000536634688 281524877 /nfs/dbraw/zinc/52/48/77/281524877.db2.gz UBKSJBCHICRBPH-LLVKDONJSA-N -1 3 296.367 2.554 20 30 CFEDHM CCc1ccc([O-])c(NC(=O)c2ncc(C#N)cc2C)c1 ZINC000560339498 282021886 /nfs/dbraw/zinc/02/18/86/282021886.db2.gz QHIVEFRGEVTRRK-UHFFFAOYSA-N -1 3 281.315 2.782 20 30 CFEDHM N#Cc1ccc(Cl)c(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000561153354 282048740 /nfs/dbraw/zinc/04/87/40/282048740.db2.gz DXHCKKWQWXTWPA-UHFFFAOYSA-N -1 3 296.717 2.534 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCCc2cccc(C#N)c2)c1 ZINC000569217705 290591667 /nfs/dbraw/zinc/59/16/67/290591667.db2.gz KNAPKLKTAUCMPC-UHFFFAOYSA-N -1 3 280.327 2.545 20 30 CFEDHM N#CCCCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000102396821 327671754 /nfs/dbraw/zinc/67/17/54/327671754.db2.gz MJZPGLPAFDGHCP-UHFFFAOYSA-N -1 3 286.375 2.981 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(C)ccc1[O-] ZINC000339980564 328099450 /nfs/dbraw/zinc/09/94/50/328099450.db2.gz HATLTSYEHYBKLA-UHFFFAOYSA-N -1 3 273.254 2.891 20 30 CFEDHM N#CC(=C([O-])c1ccc(F)c(F)c1)c1ccccn1 ZINC000048540399 328311062 /nfs/dbraw/zinc/31/10/62/328311062.db2.gz FLWATBMRTYBBAY-JTQLQIEISA-N -1 3 258.227 2.850 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)s1 ZINC000570581861 322540268 /nfs/dbraw/zinc/54/02/68/322540268.db2.gz XEMMJOSBYHSAIJ-UHFFFAOYSA-N -1 3 296.417 2.621 20 30 CFEDHM Cc1oc(C#N)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350573485 324234501 /nfs/dbraw/zinc/23/45/01/324234501.db2.gz FAJOBQHOHBYANK-UHFFFAOYSA-N -1 3 267.244 2.882 20 30 CFEDHM C=CCOCCCC(=O)Nc1c([O-])cccc1Cl ZINC000557182522 326995841 /nfs/dbraw/zinc/99/58/41/326995841.db2.gz VTXVAKGHOBIYMJ-UHFFFAOYSA-N -1 3 269.728 2.967 20 30 CFEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000113177309 327290012 /nfs/dbraw/zinc/29/00/12/327290012.db2.gz RLGCPGXFXCXPMO-VIFPVBQESA-N -1 3 276.645 2.973 20 30 CFEDHM C=CCOCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000560550902 327323462 /nfs/dbraw/zinc/32/34/62/327323462.db2.gz PXPAVTCGQWYRRC-UHFFFAOYSA-N -1 3 277.320 2.516 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCCC2 ZINC000334901520 327396010 /nfs/dbraw/zinc/39/60/10/327396010.db2.gz MEJFXXCRBANXMD-AWEZNQCLSA-N -1 3 278.377 2.609 20 30 CFEDHM Cc1ncc(C([O-])=C(C#N)c2ccccn2)c(C(C)C)n1 ZINC000172239345 329084229 /nfs/dbraw/zinc/08/42/29/329084229.db2.gz FGWFKXLRVVREPN-GFCCVEGCSA-N -1 3 280.331 2.794 20 30 CFEDHM C=C(C)C(C)(C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000582669590 329122465 /nfs/dbraw/zinc/12/24/65/329122465.db2.gz VCYSKYSOQCISRI-UHFFFAOYSA-N -1 3 269.308 2.862 20 30 CFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000182149509 329239955 /nfs/dbraw/zinc/23/99/55/329239955.db2.gz AOOQECPEJLEMTQ-UHFFFAOYSA-N -1 3 296.326 2.560 20 30 CFEDHM COc1cc(C)sc1C([O-])=C(C#N)c1ccccn1 ZINC000114049140 533710425 /nfs/dbraw/zinc/71/04/25/533710425.db2.gz GSXCUANYJPIXGO-SNVBAGLBSA-N -1 3 272.329 2.950 20 30 CFEDHM C=C(Cl)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273538213 330097086 /nfs/dbraw/zinc/09/70/86/330097086.db2.gz XRIXGMSJNWDIIF-QMMMGPOBSA-N -1 3 256.689 2.704 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000088474725 330376472 /nfs/dbraw/zinc/37/64/72/330376472.db2.gz MEJSCOOQJOOTKM-JTQLQIEISA-N -1 3 272.757 2.692 20 30 CFEDHM N#CCC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000156938132 330753530 /nfs/dbraw/zinc/75/35/30/330753530.db2.gz QUYXRAJECIZWTA-HNNXBMFYSA-N -1 3 296.326 2.873 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450424037 330978262 /nfs/dbraw/zinc/97/82/62/330978262.db2.gz JWCBZWLQJAXXHP-LLVKDONJSA-N -1 3 265.328 2.935 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000450939219 331008245 /nfs/dbraw/zinc/00/82/45/331008245.db2.gz PZSQLQVVUIOLHD-LNSITVRQSA-N -1 3 287.359 2.824 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)C(C)C)cc1 ZINC000451099474 331015526 /nfs/dbraw/zinc/01/55/26/331015526.db2.gz XPWHVBJJXCLVDL-UHFFFAOYSA-N -1 3 281.377 2.843 20 30 CFEDHM Cc1sccc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000453588931 331135031 /nfs/dbraw/zinc/13/50/31/331135031.db2.gz ZSEBKQDCXMUXSR-GFCCVEGCSA-N -1 3 271.345 2.953 20 30 CFEDHM C=CCCCCCSc1nc(=O)[n-]c(C)c1C(=O)OC ZINC000195390016 331171128 /nfs/dbraw/zinc/17/11/28/331171128.db2.gz CDJCYSGDBSWLQV-UHFFFAOYSA-N -1 3 296.392 2.703 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459356284 331277900 /nfs/dbraw/zinc/27/79/00/331277900.db2.gz CPBNDBOZOGERDN-LBPRGKRZSA-N -1 3 282.347 2.583 20 30 CFEDHM CC1(C)CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)[C@H]1C#N ZINC000459426182 331280784 /nfs/dbraw/zinc/28/07/84/331280784.db2.gz NJNCMXDYHSZYCK-ZDUSSCGKSA-N -1 3 286.379 2.574 20 30 CFEDHM CC(C)(CCC#N)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000489855875 332070276 /nfs/dbraw/zinc/07/02/76/332070276.db2.gz IPSRSNZCHCJPPI-UHFFFAOYSA-N -1 3 297.358 2.588 20 30 CFEDHM C#CCN(Cc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000491655881 332267848 /nfs/dbraw/zinc/26/78/48/332267848.db2.gz RSBYFMYASZEGLZ-UHFFFAOYSA-N -1 3 293.370 2.695 20 30 CFEDHM CC(C)CCN(CCC#N)C(=O)/C=C\c1cncc([O-])c1 ZINC000492478789 332399541 /nfs/dbraw/zinc/39/95/41/332399541.db2.gz YDRQSGYIAAEEKE-PLNGDYQASA-N -1 3 287.363 2.589 20 30 CFEDHM C=C(CC)COC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000494488397 332475530 /nfs/dbraw/zinc/47/55/30/332475530.db2.gz YCLZKBHJLQVVJU-UHFFFAOYSA-N -1 3 279.292 2.694 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(C)s1 ZINC000178705237 333076963 /nfs/dbraw/zinc/07/69/63/333076963.db2.gz PAQPDESTNSNAEL-SNVBAGLBSA-N -1 3 257.318 2.645 20 30 CFEDHM CCOC(=O)N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000184533991 333129549 /nfs/dbraw/zinc/12/95/49/333129549.db2.gz RATCMPLSRDQCAS-GGNJANJASA-N -1 3 296.754 2.695 20 30 CFEDHM Cc1cc(C(=O)N(CC#N)C2CCCC2)ccc1[O-] ZINC000226997805 333273096 /nfs/dbraw/zinc/27/30/96/333273096.db2.gz MJNKJJBPHSVTTE-UHFFFAOYSA-N -1 3 258.321 2.609 20 30 CFEDHM C=C(CC)CN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000576166575 335163531 /nfs/dbraw/zinc/16/35/31/335163531.db2.gz UHADDGOIPSRDFQ-UHFFFAOYSA-N -1 3 269.291 2.818 20 30 CFEDHM COc1csc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000080255755 334168625 /nfs/dbraw/zinc/16/86/25/334168625.db2.gz HECABWKKJBSEPJ-SNVBAGLBSA-N -1 3 258.302 2.642 20 30 CFEDHM N#CCc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000550101949 334213083 /nfs/dbraw/zinc/21/30/83/334213083.db2.gz WXSUIUNKWRBBAG-UHFFFAOYSA-N -1 3 292.298 2.988 20 30 CFEDHM N#CCc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000550101949 334213085 /nfs/dbraw/zinc/21/30/85/334213085.db2.gz WXSUIUNKWRBBAG-UHFFFAOYSA-N -1 3 292.298 2.988 20 30 CFEDHM C=C[C@@](C)(CC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000566013655 334616193 /nfs/dbraw/zinc/61/61/93/334616193.db2.gz XGXZEGDHIOVCSS-AWEZNQCLSA-N -1 3 269.308 2.862 20 30 CFEDHM C/C(=N\[O-])c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC001243314052 782129704 /nfs/dbraw/zinc/12/97/04/782129704.db2.gz NYZGHFZFBRQKKU-XDHOZWIPSA-N -1 3 282.347 2.942 20 30 CFEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)C#N 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ZINC000754457738 574096315 /nfs/dbraw/zinc/09/63/15/574096315.db2.gz MVOIMVOIHSLMSL-UHFFFAOYSA-N -1 3 286.360 2.666 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@H](C)C(=O)OC(C)(C)C ZINC000730952024 574104212 /nfs/dbraw/zinc/10/42/12/574104212.db2.gz RJTVNSCNATWLPO-MQHRVFIMSA-N -1 3 279.336 2.550 20 30 CFEDHM O=C(/C=C/c1cn(-c2ccccc2)nn1)c1cccc([O-])c1 ZINC000728696644 574104887 /nfs/dbraw/zinc/10/48/87/574104887.db2.gz YRYWUCMYZPNIFC-MDZDMXLPSA-N -1 3 291.310 2.869 20 30 CFEDHM CCCCCCCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000754809377 574122181 /nfs/dbraw/zinc/12/21/81/574122181.db2.gz VDRDSFSZPGBBGF-UHFFFAOYSA-N -1 3 288.388 2.860 20 30 CFEDHM CCC(CC)[C@@H](O)C/N=C\c1c([O-])cccc1OC ZINC000731938097 574136515 /nfs/dbraw/zinc/13/65/15/574136515.db2.gz RAIZCMRWSFMSDQ-CIKBWMHTSA-N -1 3 265.353 2.617 20 30 CFEDHM Cc1cccc(C=NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737391808 574138520 /nfs/dbraw/zinc/13/85/20/574138520.db2.gz IUTNCGDYNLJDRF-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737391808 574138522 /nfs/dbraw/zinc/13/85/22/574138522.db2.gz IUTNCGDYNLJDRF-UHFFFAOYSA-N -1 3 292.346 2.930 20 30 CFEDHM Cc1cc(=O)[n-]c(N=NC2C[C@H](OCC(C)C)C2(C)C)n1 ZINC000737413561 574138761 /nfs/dbraw/zinc/13/87/61/574138761.db2.gz FUJPERCHECAVEK-LBPRGKRZSA-N -1 3 292.383 2.730 20 30 CFEDHM CN(Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737450755 574142190 /nfs/dbraw/zinc/14/21/90/574142190.db2.gz ATMNWLUGEYSEGS-MRXNPFEDSA-N -1 3 280.327 2.816 20 30 CFEDHM C#Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])nc1 ZINC000728963065 574142346 /nfs/dbraw/zinc/14/23/46/574142346.db2.gz ZKOWFPQTZLLKOB-UHFFFAOYSA-N -1 3 272.691 2.674 20 30 CFEDHM CCCCCCCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000732339418 574152594 /nfs/dbraw/zinc/15/25/94/574152594.db2.gz ICWOAYNGKIKPSE-UHFFFAOYSA-N -1 3 289.331 2.697 20 30 CFEDHM C[C@@H](/N=C\c1ccccc1[O-])C(=O)Nc1ccccc1 ZINC000732529117 574160150 /nfs/dbraw/zinc/16/01/50/574160150.db2.gz PSBRXDOJIHELMQ-ZSAINHDTSA-N -1 3 268.316 2.838 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@H](O)c1ccccc1C ZINC000732713835 574166696 /nfs/dbraw/zinc/16/66/96/574166696.db2.gz MFOBQCUISIOOSH-PMFHANACSA-N -1 3 285.343 2.862 20 30 CFEDHM CCCCCNC(=S)NN=Cc1cc(F)ccc1[O-] ZINC000755587626 574169433 /nfs/dbraw/zinc/16/94/33/574169433.db2.gz VSOUUVBYFSOCSP-UHFFFAOYSA-N -1 3 283.372 2.520 20 30 CFEDHM CCc1nc2ccccc2n1N=Cc1ccc([O-])cn1 ZINC000755623600 574172768 /nfs/dbraw/zinc/17/27/68/574172768.db2.gz DOZOCXLHXDLTIM-UHFFFAOYSA-N -1 3 266.304 2.582 20 30 CFEDHM N#Cc1ccc(NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755652328 574175442 /nfs/dbraw/zinc/17/54/42/574175442.db2.gz VFSSFSSZIOCOLQ-UHFFFAOYSA-N -1 3 255.252 2.849 20 30 CFEDHM [O-]c1ccc(C=NNCc2ccc(F)c(F)c2)cc1F ZINC000755658309 574175972 /nfs/dbraw/zinc/17/59/72/574175972.db2.gz SZAVJIDBQDRDLK-UHFFFAOYSA-N -1 3 280.249 2.933 20 30 CFEDHM N#Cc1cc(F)ccc1CNC1(C(=O)[O-])CCCCC1 ZINC000739098885 574198576 /nfs/dbraw/zinc/19/85/76/574198576.db2.gz JSNLOAGROJSNLF-UHFFFAOYSA-N -1 3 276.311 2.574 20 30 CFEDHM C=CCC[C@@H](NCc1nn(CC)c2ccccc12)C(=O)[O-] ZINC000756379688 574231405 /nfs/dbraw/zinc/23/14/05/574231405.db2.gz OMEBBKAYBPQYMA-CYBMUJFWSA-N -1 3 287.363 2.565 20 30 CFEDHM CCOc1ccc(/C=N/C[C@H](OC)C(C)C)c([O-])c1 ZINC000745975733 574257753 /nfs/dbraw/zinc/25/77/53/574257753.db2.gz AFXNOELXKCAJFT-WNLSXJKCSA-N -1 3 265.353 2.881 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@H]1CCCS1 ZINC000756772791 574261947 /nfs/dbraw/zinc/26/19/47/574261947.db2.gz UBVCYVZROGMVLN-RSYJBZMQSA-N -1 3 251.351 2.715 20 30 CFEDHM Cc1ncc(CO)c(/C=N\CC23CCC(CC2)C3)c1[O-] ZINC000756840753 574267633 /nfs/dbraw/zinc/26/76/33/574267633.db2.gz HGKPVVZHVNEPSY-IUXPMGMMSA-N -1 3 274.364 2.587 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC23CCC(CC2)C3)c1[O-] ZINC000756840752 574267689 /nfs/dbraw/zinc/26/76/89/574267689.db2.gz HGKPVVZHVNEPSY-CAOOACKPSA-N -1 3 274.364 2.587 20 30 CFEDHM C#CCOc1ccccc1CNC(=O)c1cccc(C)c1[O-] ZINC000734102437 574273248 /nfs/dbraw/zinc/27/32/48/574273248.db2.gz CUZJACQZJMCPPF-UHFFFAOYSA-N -1 3 295.338 2.643 20 30 CFEDHM CCOc1ccc(/C=N\C2CCC(C)(O)CC2)c([O-])c1 ZINC000749844093 574312552 /nfs/dbraw/zinc/31/25/52/574312552.db2.gz HKOWRHFRQXGHSP-BOPFTXTBSA-N -1 3 277.364 2.903 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000735209640 574316910 /nfs/dbraw/zinc/31/69/10/574316910.db2.gz ZEVIQQJGQHRNET-KVEVGEHQSA-N -1 3 270.332 2.999 20 30 CFEDHM C=CC1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000735409445 574323631 /nfs/dbraw/zinc/32/36/31/574323631.db2.gz FIPISPSRMNGQRR-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=CC1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000735409445 574323634 /nfs/dbraw/zinc/32/36/34/574323634.db2.gz FIPISPSRMNGQRR-UHFFFAOYSA-N -1 3 289.770 2.923 20 30 CFEDHM C=C(Cl)CSc1ccccc1-c1nnn[n-]1 ZINC000735401943 574323705 /nfs/dbraw/zinc/32/37/05/574323705.db2.gz AMWSLVKJXJLLCA-UHFFFAOYSA-N -1 3 252.730 2.711 20 30 CFEDHM C=C(Cl)CSc1ccccc1-c1nn[n-]n1 ZINC000735401943 574323707 /nfs/dbraw/zinc/32/37/07/574323707.db2.gz AMWSLVKJXJLLCA-UHFFFAOYSA-N -1 3 252.730 2.711 20 30 CFEDHM N#Cc1ccc(COC(=O)c2ccc(F)cc2[O-])c(F)c1 ZINC000750168316 574329236 /nfs/dbraw/zinc/32/92/36/574329236.db2.gz GXOOIXRZMHEAAQ-UHFFFAOYSA-N -1 3 289.237 2.899 20 30 CFEDHM COc1cc(/C=C/C(=O)c2cncs2)cc(OC)c1[O-] ZINC000735792228 574336028 /nfs/dbraw/zinc/33/60/28/574336028.db2.gz AEYHYYIJUZDTQL-ONEGZZNKSA-N -1 3 291.328 2.762 20 30 CFEDHM CS[C@@H]1CC[C@H](/N=C/c2ccc(O)c([O-])c2O)C1 ZINC000743041481 574352176 /nfs/dbraw/zinc/35/21/76/574352176.db2.gz AFDPGSYJKNQWDF-GCLRIOKPSA-N -1 3 267.350 2.506 20 30 CFEDHM [O-]c1c(O)ccc(C=NNc2cccc(F)c2F)c1O ZINC000743441654 574365015 /nfs/dbraw/zinc/36/50/15/574365015.db2.gz LWYCUOCSBTYHMT-UHFFFAOYSA-N -1 3 280.230 2.528 20 30 CFEDHM N#CC(=C([O-])c1ccc(C#N)[nH]1)c1ccc2ccccc2n1 ZINC000752474424 574391727 /nfs/dbraw/zinc/39/17/27/574391727.db2.gz UKYPBHLNSAZMSF-CYBMUJFWSA-N -1 3 286.294 2.925 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000752884081 574396156 /nfs/dbraw/zinc/39/61/56/574396156.db2.gz QKOJHRXWSAELHU-VVEJJEBESA-N -1 3 281.315 2.952 20 30 CFEDHM CC1(C)CCCC1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820590296 607254163 /nfs/dbraw/zinc/25/41/63/607254163.db2.gz RNELSADOARHOSN-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM CC1(C)CCCC1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820590296 607254164 /nfs/dbraw/zinc/25/41/64/607254164.db2.gz RNELSADOARHOSN-UHFFFAOYSA-N -1 3 284.367 2.522 20 30 CFEDHM C=C(C)CN(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819722530 607303590 /nfs/dbraw/zinc/30/35/90/607303590.db2.gz LWEOERZCEAXPGP-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM C=C(C)CN(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819722530 607303591 /nfs/dbraw/zinc/30/35/91/607303591.db2.gz LWEOERZCEAXPGP-UHFFFAOYSA-N -1 3 277.759 2.923 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1OCCCC(C)(C)C#N ZINC000822136732 607329523 /nfs/dbraw/zinc/32/95/23/607329523.db2.gz PDMWKFWJMOIHRQ-UHFFFAOYSA-N -1 3 285.351 2.884 20 30 CFEDHM C=CCCNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819739800 607371980 /nfs/dbraw/zinc/37/19/80/607371980.db2.gz IFDYUULTTLOGJA-UHFFFAOYSA-N -1 3 273.340 2.642 20 30 CFEDHM C=CCCNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819739800 607371981 /nfs/dbraw/zinc/37/19/81/607371981.db2.gz IFDYUULTTLOGJA-UHFFFAOYSA-N -1 3 273.340 2.642 20 30 CFEDHM C[C@@H](N=Cc1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820316038 599398182 /nfs/dbraw/zinc/39/81/82/599398182.db2.gz RMJLMIBTXOOBCB-JDAJCMJVSA-N -1 3 293.330 2.752 20 30 CFEDHM N#CCCCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822805803 599527260 /nfs/dbraw/zinc/52/72/60/599527260.db2.gz DSOLDHISGSBAKE-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM N#CCCCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822805803 599527259 /nfs/dbraw/zinc/52/72/59/599527259.db2.gz DSOLDHISGSBAKE-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM C=CCC(CC=C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000823888852 607788813 /nfs/dbraw/zinc/78/88/13/607788813.db2.gz YTVZFBZXJYKIEF-UHFFFAOYSA-N -1 3 297.362 2.598 20 30 CFEDHM C=CCC(CC=C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000823888852 607788814 /nfs/dbraw/zinc/78/88/14/607788814.db2.gz YTVZFBZXJYKIEF-UHFFFAOYSA-N -1 3 297.362 2.598 20 30 CFEDHM C#CCN(Cc1cc(C(=O)[O-])oc1C)C1CCCC1 ZINC000708492472 601664230 /nfs/dbraw/zinc/66/42/30/601664230.db2.gz KANCGVBCFOTPKW-UHFFFAOYSA-N -1 3 261.321 2.664 20 30 CFEDHM C[C@H]1CC[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833602031 604609256 /nfs/dbraw/zinc/60/92/56/604609256.db2.gz HFPLGLXETZAPDK-RYUDHWBXSA-N -1 3 272.348 2.877 20 30 CFEDHM C#CC[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000833360105 604638139 /nfs/dbraw/zinc/63/81/39/604638139.db2.gz CSJONXZOWUANEK-CQSZACIVSA-N -1 3 268.316 2.567 20 30 CFEDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000833406142 604973632 /nfs/dbraw/zinc/97/36/32/604973632.db2.gz CHUYRJUOLDLQAX-BLLLJJGKSA-N -1 3 295.342 2.505 20 30 CFEDHM C=C[C@H](CC)CC(=O)[N-]OCc1ccccc1OC ZINC000935812691 649951537 /nfs/dbraw/zinc/95/15/37/649951537.db2.gz QCMICVNTEFBVPE-GFCCVEGCSA-N -1 3 263.337 2.845 20 30 CFEDHM C=C(CNCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833369705 605085870 /nfs/dbraw/zinc/08/58/70/605085870.db2.gz BRRRPFNGXLTZJC-UHFFFAOYSA-N -1 3 257.289 2.781 20 30 CFEDHM C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)CN1C ZINC000833586491 605156783 /nfs/dbraw/zinc/15/67/83/605156783.db2.gz GDTISCXIAMPKLM-MRVPVSSYSA-N -1 3 281.743 2.530 20 30 CFEDHM C#CCN(Cc1ccc(NC(=O)[O-])nc1)C1CCCCC1 ZINC000833787641 605557224 /nfs/dbraw/zinc/55/72/24/605557224.db2.gz WJCNZEFWZYZLNL-UHFFFAOYSA-N -1 3 287.363 2.939 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819734844 606335272 /nfs/dbraw/zinc/33/52/72/606335272.db2.gz VNOOELWCZKBPMU-UHFFFAOYSA-N -1 3 291.742 2.815 20 30 CFEDHM C=CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819734844 606335273 /nfs/dbraw/zinc/33/52/73/606335273.db2.gz VNOOELWCZKBPMU-UHFFFAOYSA-N -1 3 291.742 2.815 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000822930033 606388343 /nfs/dbraw/zinc/38/83/43/606388343.db2.gz XRIXZPDTWOMYRY-VURMDHGXSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC000822928516 606391386 /nfs/dbraw/zinc/39/13/86/606391386.db2.gz IVPKIAHILFRIAD-HNQUOIGGSA-N -1 3 288.357 2.886 20 30 CFEDHM C=C(C)COCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819723029 606791153 /nfs/dbraw/zinc/79/11/53/606791153.db2.gz VCPXUNIEQMWSAD-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=C(C)COCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819723029 606791154 /nfs/dbraw/zinc/79/11/54/606791154.db2.gz VCPXUNIEQMWSAD-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM Cc1ccc(C#N)cc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822225247 607030329 /nfs/dbraw/zinc/03/03/29/607030329.db2.gz VBROHUYADBHXTK-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccc(C#N)cc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822225247 607030331 /nfs/dbraw/zinc/03/03/31/607030331.db2.gz VBROHUYADBHXTK-UHFFFAOYSA-N -1 3 291.314 2.626 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826315780 607885539 /nfs/dbraw/zinc/88/55/39/607885539.db2.gz TUEJENRTXODRBN-VOTSOKGWSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccoc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826315780 607885540 /nfs/dbraw/zinc/88/55/40/607885540.db2.gz TUEJENRTXODRBN-VOTSOKGWSA-N -1 3 280.287 2.664 20 30 CFEDHM C[C@H](NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824634657 607886378 /nfs/dbraw/zinc/88/63/78/607886378.db2.gz WJEFJMIZIIHHCC-LBPRGKRZSA-N -1 3 292.346 2.551 20 30 CFEDHM C[C@H](NN=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824634657 607886379 /nfs/dbraw/zinc/88/63/79/607886379.db2.gz WJEFJMIZIIHHCC-LBPRGKRZSA-N -1 3 292.346 2.551 20 30 CFEDHM CC(C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824230007 607887271 /nfs/dbraw/zinc/88/72/71/607887271.db2.gz XOTBASQYWBRQQF-UHFFFAOYSA-N -1 3 298.272 2.939 20 30 CFEDHM CC(C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824230007 607887272 /nfs/dbraw/zinc/88/72/72/607887272.db2.gz XOTBASQYWBRQQF-UHFFFAOYSA-N -1 3 298.272 2.939 20 30 CFEDHM CCCCCCC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825270630 607889374 /nfs/dbraw/zinc/88/93/74/607889374.db2.gz APFKSJMGMVOFDN-UHFFFAOYSA-N -1 3 286.383 2.913 20 30 CFEDHM CCCCCCC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825270630 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ZINC000823894280 608275450 /nfs/dbraw/zinc/27/54/50/608275450.db2.gz MFYGBSIQOYAZFC-WEHUKYGOSA-N -1 3 298.346 2.778 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823962191 608391403 /nfs/dbraw/zinc/39/14/03/608391403.db2.gz HMUNDVKJFZBULK-UHFFFAOYSA-N -1 3 271.324 2.550 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823962191 608391405 /nfs/dbraw/zinc/39/14/05/608391405.db2.gz HMUNDVKJFZBULK-UHFFFAOYSA-N -1 3 271.324 2.550 20 30 CFEDHM CCC1(CC(=O)N([O-])Cc2ccccc2Cl)COC1 ZINC000900679381 620700921 /nfs/dbraw/zinc/70/09/21/620700921.db2.gz OOCVRVWCVCIBKY-UHFFFAOYSA-N -1 3 283.755 2.875 20 30 CFEDHM O=C(N([O-])CCCCc1ccccc1)C1(n2cccn2)CC1 ZINC000900678638 620701089 /nfs/dbraw/zinc/70/10/89/620701089.db2.gz KPQYWTFNTSBWCC-UHFFFAOYSA-N -1 3 299.374 2.613 20 30 CFEDHM C[C@H]1C(=NNCc2ccc(-c3nnn[n-]3)cc2)CCC[C@@H]1C ZINC000824919364 609277352 /nfs/dbraw/zinc/27/73/52/609277352.db2.gz ULNNKCVBNPYJOG-NWDGAFQWSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1C(=NNCc2ccc(-c3nn[n-]n3)cc2)CCC[C@@H]1C ZINC000824919364 609277354 /nfs/dbraw/zinc/27/73/54/609277354.db2.gz ULNNKCVBNPYJOG-NWDGAFQWSA-N -1 3 298.394 2.768 20 30 CFEDHM C=C(C)CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000823877864 609318290 /nfs/dbraw/zinc/31/82/90/609318290.db2.gz JCUODBVIVOGIRG-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM C=C(C)CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000823877864 609318292 /nfs/dbraw/zinc/31/82/92/609318292.db2.gz JCUODBVIVOGIRG-UHFFFAOYSA-N -1 3 263.732 2.532 20 30 CFEDHM CCCCN([O-])C(=O)c1ccc(C(C)C)[nH]c1=O ZINC000900683409 620702135 /nfs/dbraw/zinc/70/21/35/620702135.db2.gz XGTPDMRKKYYTID-UHFFFAOYSA-N -1 3 252.314 2.542 20 30 CFEDHM CC[C@H]1CCCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000825191948 609517355 /nfs/dbraw/zinc/51/73/55/609517355.db2.gz DTMFJNPPTKRTKV-ZDUSSCGKSA-N -1 3 298.394 2.913 20 30 CFEDHM CC[C@H]1CCCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000825191948 609517358 /nfs/dbraw/zinc/51/73/58/609517358.db2.gz DTMFJNPPTKRTKV-ZDUSSCGKSA-N -1 3 298.394 2.913 20 30 CFEDHM C=CCCCCCN(C)c1nccc(C)c1-c1nnn[n-]1 ZINC000823894942 609557844 /nfs/dbraw/zinc/55/78/44/609557844.db2.gz ZZLOQUDSAJWNQR-UHFFFAOYSA-N -1 3 286.383 2.753 20 30 CFEDHM C=CCCCCCN(C)c1nccc(C)c1-c1nn[n-]n1 ZINC000823894942 609557846 /nfs/dbraw/zinc/55/78/46/609557846.db2.gz ZZLOQUDSAJWNQR-UHFFFAOYSA-N -1 3 286.383 2.753 20 30 CFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(C)C ZINC000304191699 617612036 /nfs/dbraw/zinc/61/20/36/617612036.db2.gz VHHKHORWFKDEDC-SECBINFHSA-N -1 3 291.825 2.646 20 30 CFEDHM C=CC[C@H]1CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000890548736 617638581 /nfs/dbraw/zinc/63/85/81/617638581.db2.gz YAYYPCZBOGCBIF-NSHDSACASA-N -1 3 296.164 2.945 20 30 CFEDHM [O-]c1ccc2c(c1F)CCC2=NOC/C=C\Cl ZINC000811669125 617697243 /nfs/dbraw/zinc/69/72/43/617697243.db2.gz CHCPBSZQGCFLOB-FYXFXIQNSA-N -1 3 255.676 2.951 20 30 CFEDHM N#CC[C@H](CC(=O)[N-]OC/C=C\Cl)c1ccccc1 ZINC000812403078 617783741 /nfs/dbraw/zinc/78/37/41/617783741.db2.gz JGGGQZWTPIYOEB-IBSXUBTNSA-N -1 3 278.739 2.874 20 30 CFEDHM CC(=NOCC(F)(F)F)c1cc([O-])cc(F)c1 ZINC000901207687 620764948 /nfs/dbraw/zinc/76/49/48/620764948.db2.gz NIYLCWYHVVYYLR-UHFFFAOYSA-N -1 3 251.179 2.834 20 30 CFEDHM CC(=NO[C@@H]1CCCCO1)c1cc([O-])cc(F)c1 ZINC000901206795 620765058 /nfs/dbraw/zinc/76/50/58/620765058.db2.gz ZAVRXLQBHFYDBU-CYBMUJFWSA-N -1 3 253.273 2.799 20 30 CFEDHM C#Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(Cl)c1 ZINC000933363995 618209236 /nfs/dbraw/zinc/20/92/36/618209236.db2.gz RZGWXKUOAJGPOL-ZDUSSCGKSA-N -1 3 294.738 2.901 20 30 CFEDHM C#Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(Cl)c1 ZINC000933363995 618209239 /nfs/dbraw/zinc/20/92/39/618209239.db2.gz RZGWXKUOAJGPOL-ZDUSSCGKSA-N -1 3 294.738 2.901 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCCOC1 ZINC000255363185 618213823 /nfs/dbraw/zinc/21/38/23/618213823.db2.gz IZYWEVAPUCNOTQ-IIBSKXHVSA-N -1 3 253.729 2.891 20 30 CFEDHM CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc([O-])cc1Cl ZINC000901332454 620787019 /nfs/dbraw/zinc/78/70/19/620787019.db2.gz HQTHAIBUZUVIJE-ZIAGYGMSSA-N -1 3 282.771 2.663 20 30 CFEDHM COc1cc(C(=O)/C=C/c2cccc3nccn32)ccc1[O-] ZINC000178943275 618248907 /nfs/dbraw/zinc/24/89/07/618248907.db2.gz ONXQKSXIAAAWJX-SOFGYWHQSA-N -1 3 294.310 2.945 20 30 CFEDHM COc1cc(C(=O)/C=C\c2cccc3nccn32)ccc1[O-] ZINC000255721497 618270435 /nfs/dbraw/zinc/27/04/35/618270435.db2.gz ONXQKSXIAAAWJX-VURMDHGXSA-N -1 3 294.310 2.945 20 30 CFEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CO1 ZINC000901371746 620796701 /nfs/dbraw/zinc/79/67/01/620796701.db2.gz XYTMKICFRXODLT-SWLSCSKDSA-N -1 3 285.343 2.983 20 30 CFEDHM CCC1(C(=O)N([O-])Cc2cccc3ccccc32)COC1 ZINC000901370647 620797018 /nfs/dbraw/zinc/79/70/18/620797018.db2.gz BYFJUUWRVIYSBQ-UHFFFAOYSA-N -1 3 285.343 2.984 20 30 CFEDHM O=C(CCC1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000901371857 620797256 /nfs/dbraw/zinc/79/72/56/620797256.db2.gz JIGMJIDEBMDZFA-UHFFFAOYSA-N -1 3 281.327 2.750 20 30 CFEDHM O=C(C[C@@H]1CCCCO1)N([O-])Cc1ccc(F)cc1 ZINC000901372014 620797316 /nfs/dbraw/zinc/79/73/16/620797316.db2.gz MRACWTNXLDBGSB-ZDUSSCGKSA-N -1 3 267.300 2.503 20 30 CFEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373024 620797646 /nfs/dbraw/zinc/79/76/46/620797646.db2.gz RLBAYAGHHGZZAI-GJQVQUKXSA-N -1 3 263.312 2.836 20 30 CFEDHM O=C(Cc1[nH]nc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901373947 620798352 /nfs/dbraw/zinc/79/83/52/620798352.db2.gz AFOIPYSUDPMYQV-UHFFFAOYSA-N -1 3 299.305 2.663 20 30 CFEDHM O=C(c1cccc(F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901378856 620799458 /nfs/dbraw/zinc/79/94/58/620799458.db2.gz LQEOYTCDQSWJIN-UHFFFAOYSA-N -1 3 263.243 2.996 20 30 CFEDHM C[C@@H](C#N)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080161 618611961 /nfs/dbraw/zinc/61/19/61/618611961.db2.gz KBMBWESJJYNAAR-LURJTMIESA-N -1 3 265.219 2.569 20 30 CFEDHM COc1cc(C=NNCCC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000782907599 618663835 /nfs/dbraw/zinc/66/38/35/618663835.db2.gz KWTLXTVKIVCBJO-UHFFFAOYSA-N -1 3 295.339 2.669 20 30 CFEDHM C=CCC1(C(=O)N2CCCc3c(=O)[n-]cnc32)CCCC1 ZINC000893204520 618882560 /nfs/dbraw/zinc/88/25/60/618882560.db2.gz JXPBDOCNJXZKSF-UHFFFAOYSA-N -1 3 287.363 2.598 20 30 CFEDHM N#C[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000928217032 619322725 /nfs/dbraw/zinc/32/27/25/619322725.db2.gz IUGQEIVZWUYMJV-JTQLQIEISA-N -1 3 286.356 2.983 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000896500512 619750361 /nfs/dbraw/zinc/75/03/61/619750361.db2.gz GSCOCTYOWDUPTI-JTQLQIEISA-N -1 3 295.180 2.890 20 30 CFEDHM Cc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1C ZINC000840714444 619942271 /nfs/dbraw/zinc/94/22/71/619942271.db2.gz IXXRWAUIYKJQJQ-FKVCUQLRSA-N -1 3 286.306 2.957 20 30 CFEDHM C#CC[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000862574968 620118248 /nfs/dbraw/zinc/11/82/48/620118248.db2.gz OMHNNUZMBNORCT-SNVBAGLBSA-N -1 3 263.724 2.531 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888119281 620122535 /nfs/dbraw/zinc/12/25/35/620122535.db2.gz ZWICWUFHVKJFPC-CQSZACIVSA-N -1 3 279.340 2.516 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888119281 620122536 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C=CC[C@@H](C)[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823888790 623414255 /nfs/dbraw/zinc/41/42/55/623414255.db2.gz WUMORTPUYIPMNL-GHMZBOCLSA-N -1 3 257.341 2.879 20 30 CFEDHM CC(=NNCCC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823953621 623424414 /nfs/dbraw/zinc/42/44/14/623424414.db2.gz IZZZQNVYSLMRHS-UHFFFAOYSA-N -1 3 286.383 2.617 20 30 CFEDHM CC(=NNCCC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823953621 623424418 /nfs/dbraw/zinc/42/44/18/623424418.db2.gz IZZZQNVYSLMRHS-UHFFFAOYSA-N -1 3 286.383 2.617 20 30 CFEDHM CC(C)CN(CC1(C#N)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255387 623478361 /nfs/dbraw/zinc/47/83/61/623478361.db2.gz HWNSWOHBZRYINV-UHFFFAOYSA-N -1 3 296.378 2.633 20 30 CFEDHM CCN(CC#N)Cc1ccc(Br)cc1[O-] ZINC000824605595 623531633 /nfs/dbraw/zinc/53/16/33/623531633.db2.gz JIXQSUHZSMAOBJ-UHFFFAOYSA-N -1 3 269.142 2.500 20 30 CFEDHM CCCC(CC)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825231853 623655000 /nfs/dbraw/zinc/65/50/00/623655000.db2.gz BFHSNTUBOOQBJE-UHFFFAOYSA-N -1 3 258.329 2.845 20 30 CFEDHM 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CFEDHM N#CC[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000922645870 626330899 /nfs/dbraw/zinc/33/08/99/626330899.db2.gz AWWDNWMIBYHNCE-JTQLQIEISA-N -1 3 278.661 2.980 20 30 CFEDHM C=C[C@H](C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000757053723 626544176 /nfs/dbraw/zinc/54/41/76/626544176.db2.gz MNKSSVPXESGNQF-ZETCQYMHSA-N -1 3 261.218 2.747 20 30 CFEDHM CC(N=Nc1ncccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000759200567 626635838 /nfs/dbraw/zinc/63/58/38/626635838.db2.gz DIWISWPPPZFARN-UHFFFAOYSA-N -1 3 290.254 2.671 20 30 CFEDHM C#CCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000760115149 626714404 /nfs/dbraw/zinc/71/44/04/626714404.db2.gz YKADGMWGWJVWBD-UHFFFAOYSA-N -1 3 282.137 2.897 20 30 CFEDHM C[C@@H]1COCC[C@@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000760989663 626790648 /nfs/dbraw/zinc/79/06/48/626790648.db2.gz DTSJUJNOYRSANP-ZWYVJXQFSA-N -1 3 253.729 2.890 20 30 CFEDHM COC(=O)[C@@H](CC(F)F)/N=C\c1cc(Cl)ccc1[O-] ZINC000761179415 626813835 /nfs/dbraw/zinc/81/38/35/626813835.db2.gz DPYCEYISXMFMBV-DYCBTQOFSA-N -1 3 291.681 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LFBWVAFWNUBVJM-MRXNPFEDSA-N -1 3 296.301 2.731 20 30 CFEDHM C#Cc1cccc(N(CC)CCC[N-]C(=O)C(F)(F)F)c1 ZINC000091618402 650904369 /nfs/dbraw/zinc/90/43/69/650904369.db2.gz KOGPADYCXNOLHJ-UHFFFAOYSA-N -1 3 298.308 2.563 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CC(C)(C)OC1(C)C ZINC000882139355 645217593 /nfs/dbraw/zinc/21/75/93/645217593.db2.gz VMNXUAIUKBRNDW-SNVBAGLBSA-N -1 3 297.424 2.856 20 30 CFEDHM C[C@H](NCc1cc(C2CC2)no1)c1cccc(C#N)c1[O-] ZINC000886686254 647109445 /nfs/dbraw/zinc/10/94/45/647109445.db2.gz MLYMOHAGNXXGJC-JTQLQIEISA-N -1 3 283.331 2.980 20 30 CFEDHM C[C@@H](NCc1cc(C2CC2)no1)c1cccc(C#N)c1[O-] ZINC000886686255 647109928 /nfs/dbraw/zinc/10/99/28/647109928.db2.gz MLYMOHAGNXXGJC-SNVBAGLBSA-N -1 3 283.331 2.980 20 30 CFEDHM C#CCC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000886795829 647140428 /nfs/dbraw/zinc/14/04/28/647140428.db2.gz FWRKMYAENBPFAX-UHFFFAOYSA-N -1 3 289.350 2.916 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000887647695 647380166 /nfs/dbraw/zinc/38/01/66/647380166.db2.gz JYPVXXIFMWFPJN-UHFFFAOYSA-N -1 3 259.290 2.737 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000932153657 649552162 /nfs/dbraw/zinc/55/21/62/649552162.db2.gz AXMPYFRWNIUKHG-ZDUSSCGKSA-N -1 3 294.358 2.585 20 30 CFEDHM C#CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000932391149 649592429 /nfs/dbraw/zinc/59/24/29/649592429.db2.gz VPLLFFSGWYNLOB-UHFFFAOYSA-N -1 3 263.312 2.578 20 30 CFEDHM N#Cc1cn(-c2cccc(F)c2[O-])c2cc(N)ccc12 ZINC001210202513 770232483 /nfs/dbraw/zinc/23/24/83/770232483.db2.gz QVTSVDJVIVSYNT-UHFFFAOYSA-N -1 3 267.263 2.929 20 30 CFEDHM Cc1c(C/N=C\c2cc(Cl)ccc2[O-])cnn1C ZINC000255194211 770396651 /nfs/dbraw/zinc/39/66/51/770396651.db2.gz DPJPGGJXBGQKSG-UUASQNMZSA-N -1 3 263.728 2.707 20 30 CFEDHM CCOCc1cncc(Nc2cc(C#N)ccc2[O-])c1 ZINC001215789887 770558506 /nfs/dbraw/zinc/55/85/06/770558506.db2.gz YQOFXMJRCSTAMT-UHFFFAOYSA-N -1 3 269.304 2.939 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CC3CCC2CC3)[n-]1 ZINC001225468559 775467369 /nfs/dbraw/zinc/46/73/69/775467369.db2.gz AWADFGBYPJPREV-MGULZYLOSA-N -1 3 258.321 2.925 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C#N)c2ccccc2)[n-]1 ZINC001225467881 775467472 /nfs/dbraw/zinc/46/74/72/775467472.db2.gz ZSOYBSXUTDCKHY-AWEZNQCLSA-N -1 3 265.272 2.611 20 30 CFEDHM Cc1cc(=O)c(C#N)c(OCc2ccnc(OC(C)C)c2)[n-]1 ZINC001225468837 775468434 /nfs/dbraw/zinc/46/84/34/775468434.db2.gz WBRHASDJEWQAKC-UHFFFAOYSA-N -1 3 299.330 2.729 20 30 CFEDHM C[C@H](Nc1ccc(=S)[n-]n1)c1cccc(C#N)c1 ZINC001167707419 775576991 /nfs/dbraw/zinc/57/69/91/775576991.db2.gz VCZACQMMYAIWFJ-VIFPVBQESA-N -1 3 256.334 2.810 20 30 CFEDHM Cc1cnc(=S)[n-]c1O[C@@H](C#N)c1ccccc1 ZINC001225742004 775580005 /nfs/dbraw/zinc/58/00/05/775580005.db2.gz FOXYGMGTGQKDGD-NSHDSACASA-N -1 3 257.318 2.717 20 30 CFEDHM CCC#C[C@@H](C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852887 775614289 /nfs/dbraw/zinc/61/42/89/775614289.db2.gz MIAGMBJRZUIFKE-SSDOTTSWSA-N -1 3 276.283 2.965 20 30 CFEDHM CC[C@@H](C#Cc1ccccc1)Oc1nc[n-]c(=O)c1C ZINC001226076759 775690084 /nfs/dbraw/zinc/69/00/84/775690084.db2.gz OIHZBBMYFXEXMT-AWEZNQCLSA-N -1 3 268.316 2.700 20 30 CFEDHM C=C[C@]1(C)CC[C@H](Oc2nc[n-]c(=O)c2C)C(C)(C)O1 ZINC001226077242 775690284 /nfs/dbraw/zinc/69/02/84/775690284.db2.gz PKTITVBHIYTDQN-XHDPSFHLSA-N -1 3 278.352 2.772 20 30 CFEDHM CCOC(=O)[C@H]1CC[C@H](Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226114776 775704138 /nfs/dbraw/zinc/70/41/38/775704138.db2.gz QJMZAZVOJRYGCW-VIKWHGAVSA-N -1 3 291.347 2.995 20 30 CFEDHM CCC[C@@H](Oc1nccc(/C=N/[O-])n1)C(C)(C)C ZINC001226256415 775757936 /nfs/dbraw/zinc/75/79/36/775757936.db2.gz ROFGKNNJJOEIOU-BTAWCLGRSA-N -1 3 251.330 2.878 20 30 CFEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nccc(/C=N/[O-])n2)O1 ZINC001226256574 775758081 /nfs/dbraw/zinc/75/80/81/775758081.db2.gz UFHFDKWUELSCTM-OSMMRYEZSA-N -1 3 291.351 2.566 20 30 CFEDHM C#C[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380710 775797363 /nfs/dbraw/zinc/79/73/63/775797363.db2.gz ZXDFAUVOJCCYLW-JTQLQIEISA-N -1 3 292.290 2.568 20 30 CFEDHM CC(=O)c1ccc([O-])c(O[C@H](C)C#C[Si](C)(C)C)c1O ZINC001226483329 775841507 /nfs/dbraw/zinc/84/15/07/775841507.db2.gz VZBPXYXVEJHHCV-SNVBAGLBSA-N -1 3 292.407 2.949 20 30 CFEDHM N#C[C@@H]1CC[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)C1 ZINC001226596017 775886713 /nfs/dbraw/zinc/88/67/13/775886713.db2.gz HXWIUXNTDZFETQ-MWLCHTKSSA-N -1 3 271.272 2.570 20 30 CFEDHM C#CC[C@@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599785 775887335 /nfs/dbraw/zinc/88/73/35/775887335.db2.gz NVMXRKUZPVBJBV-LLVKDONJSA-N -1 3 258.273 2.679 20 30 CFEDHM Cc1cc(O[C@@H](C#N)c2cccc(F)c2)[n-]c(=S)n1 ZINC001226802976 775971777 /nfs/dbraw/zinc/97/17/77/775971777.db2.gz MBARMHCLWPYNDB-NSHDSACASA-N -1 3 275.308 2.857 20 30 CFEDHM C=CC[C@H](Oc1[n-]c(=O)ncc1OC)c1ccccc1 ZINC001226828148 775982976 /nfs/dbraw/zinc/98/29/76/775982976.db2.gz OIVILVJMCLMUCT-LBPRGKRZSA-N -1 3 272.304 2.887 20 30 CFEDHM N#CC[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1 ZINC001226941028 776028424 /nfs/dbraw/zinc/02/84/24/776028424.db2.gz WTOIUBZLXCYEKX-LLVKDONJSA-N -1 3 257.318 2.799 20 30 CFEDHM Cc1cn2c(n1)[C@H](Oc1cc(C#N)ccc1[O-])CCC2 ZINC001227349259 776181834 /nfs/dbraw/zinc/18/18/34/776181834.db2.gz GORCNGBDJLPDIJ-CYBMUJFWSA-N -1 3 269.304 2.683 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@H]2CC(F)(F)C2(F)F)c1 ZINC001227351361 776183732 /nfs/dbraw/zinc/18/37/32/776183732.db2.gz VCVSRLWIUJGOQN-VIFPVBQESA-N -1 3 261.174 2.686 20 30 CFEDHM C=C(C)C[C@@H](Oc1[nH]c(=S)nc2nc[n-]c21)C(=C)C ZINC001227616404 776245779 /nfs/dbraw/zinc/24/57/79/776245779.db2.gz PCZYHBZRTAHRFI-SECBINFHSA-N -1 3 276.365 2.931 20 30 CFEDHM C#C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227743085 776276096 /nfs/dbraw/zinc/27/60/96/776276096.db2.gz IQXGFEBPYNESFX-LBPRGKRZSA-N -1 3 259.265 2.508 20 30 CFEDHM C#C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227743085 776276101 /nfs/dbraw/zinc/27/61/01/776276101.db2.gz IQXGFEBPYNESFX-LBPRGKRZSA-N -1 3 259.265 2.508 20 30 CFEDHM N#CC1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227746929 776278836 /nfs/dbraw/zinc/27/88/36/776278836.db2.gz WVWSXCPMOSSGRF-UHFFFAOYSA-N -1 3 286.291 2.932 20 30 CFEDHM N#CC1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227746929 776278844 /nfs/dbraw/zinc/27/88/44/776278844.db2.gz WVWSXCPMOSSGRF-UHFFFAOYSA-N -1 3 286.291 2.932 20 30 CFEDHM C#C[C@H](CCC)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228078332 776387905 /nfs/dbraw/zinc/38/79/05/776387905.db2.gz IQAQRXPEZGLTSV-LLVKDONJSA-N -1 3 290.315 2.858 20 30 CFEDHM C=CC(C=C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623184 776544572 /nfs/dbraw/zinc/54/45/72/776544572.db2.gz PMNCUUDVSUZDJD-UHFFFAOYSA-N -1 3 258.273 2.926 20 30 CFEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@@H](C#N)C1 ZINC001228631354 776546117 /nfs/dbraw/zinc/54/61/17/776546117.db2.gz WUCKVSHTXCYHRC-GHMZBOCLSA-N -1 3 285.299 2.878 20 30 CFEDHM Cc1[n-]c(=O)cc(O[C@@H](C)C#C[Si](C)(C)C)c1[N+](=O)[O-] ZINC001228689039 776568840 /nfs/dbraw/zinc/56/88/40/776568840.db2.gz OHSBYJDXVHEQRC-VIFPVBQESA-N -1 3 294.383 2.652 20 30 CFEDHM C=CC[C@@H](C=C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689384 776568862 /nfs/dbraw/zinc/56/88/62/776568862.db2.gz TVICAIMSUCWNHM-SECBINFHSA-N -1 3 250.254 2.513 20 30 CFEDHM C#CC[C@H](C)Oc1cccc([O-])c1Br ZINC001229143464 776728544 /nfs/dbraw/zinc/72/85/44/776728544.db2.gz WVHFPUBIZNIRGO-QMMMGPOBSA-N -1 3 255.111 2.945 20 30 CFEDHM C#CC[C@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570870 776849301 /nfs/dbraw/zinc/84/93/01/776849301.db2.gz VJQOBYITAMZSHW-ZETCQYMHSA-N -1 3 250.348 2.771 20 30 CFEDHM O=C1C[C@H](Oc2ccccc2/C=N/c2ccccc2[O-])CO1 ZINC001229933567 776920889 /nfs/dbraw/zinc/92/08/89/776920889.db2.gz QZUFRWRTHWLBBO-SGPNVBEDSA-N -1 3 297.310 2.837 20 30 CFEDHM N#CC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231072842 777132946 /nfs/dbraw/zinc/13/29/46/777132946.db2.gz HIIDUPKLWCWGGX-OAHLLOKOSA-N -1 3 291.314 2.900 20 30 CFEDHM N#C[C@@H]1CCCN1Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231524885 777252810 /nfs/dbraw/zinc/25/28/10/777252810.db2.gz XPVOBHKDXXLRLB-JTQLQIEISA-N -1 3 270.254 2.899 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852494 777312142 /nfs/dbraw/zinc/31/21/42/777312142.db2.gz KTXAFQUGRXRJAB-SFYZADRCSA-N -1 3 288.294 2.965 20 30 CFEDHM C=C[C@H](CCCCC)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226238920 777486368 /nfs/dbraw/zinc/48/63/68/777486368.db2.gz DKBSGCVFYJPXEW-LLVKDONJSA-N -1 3 264.325 2.899 20 30 CFEDHM CC#C[C@@H](CC)Oc1nc2cc(C(=O)OC)ccc2[n-]1 ZINC001226257618 777490397 /nfs/dbraw/zinc/49/03/97/777490397.db2.gz GECWRIJLRMKQDF-LLVKDONJSA-N -1 3 272.304 2.530 20 30 CFEDHM N#Cc1ccc([O-])c(CN2CCOC3(CCCCC3)C2)c1 ZINC001232678782 777640112 /nfs/dbraw/zinc/64/01/12/777640112.db2.gz PPHISRDZBJVMGB-UHFFFAOYSA-N -1 3 286.375 2.799 20 30 CFEDHM CC[C@@H](C#Cc1ccccc1)Oc1ccnc(=S)[n-]1 ZINC001226942346 777704374 /nfs/dbraw/zinc/70/43/74/777704374.db2.gz KVVRKLYVTVPIQB-ZDUSSCGKSA-N -1 3 270.357 2.974 20 30 CFEDHM C#CCN(CC#CC)Cc1ccc(Br)cc1[O-] ZINC001204776844 777777573 /nfs/dbraw/zinc/77/75/73/777777573.db2.gz RRFFSJWYYURCFR-UHFFFAOYSA-N -1 3 292.176 2.613 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584833 777855124 /nfs/dbraw/zinc/85/51/24/777855124.db2.gz VQCYUBJPFLMHCW-WPRPVWTQSA-N -1 3 271.238 2.987 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584831 777855291 /nfs/dbraw/zinc/85/52/91/777855291.db2.gz VQCYUBJPFLMHCW-SCZZXKLOSA-N -1 3 271.238 2.987 20 30 CFEDHM CCC(=O)[C@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801491 778080863 /nfs/dbraw/zinc/08/08/63/778080863.db2.gz AQWWWZSFXNIBLV-DGGAMASNSA-N -1 3 265.309 2.640 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233804310 778082806 /nfs/dbraw/zinc/08/28/06/778082806.db2.gz WMVZJAHNQBXQRM-MUEVSNKISA-N -1 3 259.305 2.684 20 30 CFEDHM C=C1O[C@@H](CC)C(=O)C1Oc1cc([O-])cc(F)c1 ZINC001233816495 778087219 /nfs/dbraw/zinc/08/72/19/778087219.db2.gz FHGRARYYSSTOPX-NSHDSACASA-N -1 3 252.241 2.520 20 30 CFEDHM C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])cc(C#N)c1 ZINC001234142442 778175173 /nfs/dbraw/zinc/17/51/73/778175173.db2.gz VIHMEQZLRSSABD-JTQLQIEISA-N -1 3 277.320 2.763 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(OCCOC3CCCC3)c12 ZINC001234513942 778240952 /nfs/dbraw/zinc/24/09/52/778240952.db2.gz PRPYOQSFSLNZDE-UHFFFAOYSA-N -1 3 299.330 2.545 20 30 CFEDHM N#CC1CC(Oc2nc[n-]c(=O)c2-c2ccccc2)C1 ZINC001234693269 778289951 /nfs/dbraw/zinc/28/99/51/778289951.db2.gz VPSWPVBMECHVNX-UHFFFAOYSA-N -1 3 267.288 2.530 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000127864968 778411459 /nfs/dbraw/zinc/41/14/59/778411459.db2.gz JOZJFLRMWAOCMI-CQSZACIVSA-N -1 3 282.299 2.858 20 30 CFEDHM COc1cc(-c2cc([O-])cc(Cl)c2)ncc1C#N ZINC001235899816 778598498 /nfs/dbraw/zinc/59/84/98/778598498.db2.gz OWYZZOFKKHFVJP-UHFFFAOYSA-N -1 3 260.680 2.988 20 30 CFEDHM Cc1[n-]sc(=Nc2ccncc2Cl)c1C#N ZINC001212144109 778743710 /nfs/dbraw/zinc/74/37/10/778743710.db2.gz FHBUNAIGIBPRMB-UHFFFAOYSA-N -1 3 250.714 2.537 20 30 CFEDHM C=CCCSCCNCc1cc(C)c(C(=O)[O-])o1 ZINC000696067940 778829924 /nfs/dbraw/zinc/82/99/24/778829924.db2.gz IEJHBFNJUYAEAX-UHFFFAOYSA-N -1 3 269.366 2.685 20 30 CFEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001239727610 779731686 /nfs/dbraw/zinc/73/16/86/779731686.db2.gz CBZRNPLTUQXOKY-VKAVYKQESA-N -1 3 254.289 2.882 20 30 CFEDHM CS(=O)(=O)Nc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001240335752 780090850 /nfs/dbraw/zinc/09/08/50/780090850.db2.gz GFLPLYJCWCRXSZ-UHFFFAOYSA-N -1 3 290.344 2.533 20 30 CFEDHM CNC(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001240572175 780264750 /nfs/dbraw/zinc/26/47/50/780264750.db2.gz SEKLZGDHTNYHSJ-UHFFFAOYSA-N -1 3 254.289 2.521 20 30 CFEDHM N#Cc1cc(N)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212489367 780408398 /nfs/dbraw/zinc/40/83/98/780408398.db2.gz MNLXLKJNGBCPBC-UHFFFAOYSA-N -1 3 261.231 2.868 20 30 CFEDHM COc1cc(OC(=O)c2cccc(F)c2[O-])ccc1C#N ZINC001128492064 780535127 /nfs/dbraw/zinc/53/51/27/780535127.db2.gz XTPRCOHFMFWJGF-UHFFFAOYSA-N -1 3 287.246 2.631 20 30 CFEDHM N#Cc1ccc2ccnc(-c3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001241441186 780889051 /nfs/dbraw/zinc/88/90/51/780889051.db2.gz DUOFBCOFFGMANJ-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1ccc2ccnc(-c3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001241441186 780889061 /nfs/dbraw/zinc/88/90/61/780889061.db2.gz DUOFBCOFFGMANJ-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1c(F)cc(-c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001241444265 780894596 /nfs/dbraw/zinc/89/45/96/780894596.db2.gz PGPXHAXLPQFHNW-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1c(F)cc(-c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001241444265 780894610 /nfs/dbraw/zinc/89/46/10/780894610.db2.gz PGPXHAXLPQFHNW-UHFFFAOYSA-N -1 3 283.241 2.684 20 30 CFEDHM N#Cc1cnc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241446455 780900549 /nfs/dbraw/zinc/90/05/49/780900549.db2.gz XZVPAZPXSCVYDQ-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1cnc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241446455 780900551 /nfs/dbraw/zinc/90/05/51/780900551.db2.gz XZVPAZPXSCVYDQ-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM CCOc1ncc(-c2ccc(/C(C)=N/[O-])cc2)cn1 ZINC001241553986 780975915 /nfs/dbraw/zinc/97/59/15/780975915.db2.gz IOESUKAKDZXENW-LICLKQGHSA-N -1 3 257.293 2.741 20 30 CFEDHM [O-]N=Cc1ccccc1-c1ccc(-n2ccnn2)cc1 ZINC001242418825 781485758 /nfs/dbraw/zinc/48/57/58/781485758.db2.gz XSPPPLGBNMRNBY-UHFFFAOYSA-N -1 3 264.288 2.742 20 30 CFEDHM COc1cc(-c2cccc(/C=N/[O-])c2)c(OC)cn1 ZINC001242428644 781493382 /nfs/dbraw/zinc/49/33/82/781493382.db2.gz ZQUMKRJQBMVOGT-LZYBPNLTSA-N -1 3 258.277 2.574 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001242479781 781533593 /nfs/dbraw/zinc/53/35/93/781533593.db2.gz IUHFKKAPKIHTPK-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001242479781 781533602 /nfs/dbraw/zinc/53/36/02/781533602.db2.gz IUHFKKAPKIHTPK-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM N#Cc1cc(-c2ccc3c(c2)[C@H](O)CCO3)ccc1[O-] ZINC001242565115 781603687 /nfs/dbraw/zinc/60/36/87/781603687.db2.gz MDIZMGQRDBZYRS-OAHLLOKOSA-N -1 3 267.284 2.747 20 30 CFEDHM Cc1cc(-c2ccc([O-])c(C#N)c2)cc2c1OCC(=O)N2 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CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H](C)C#N ZINC000595816401 349740186 /nfs/dbraw/zinc/74/01/86/349740186.db2.gz AFAUJGKQMQRFLL-JTQLQIEISA-N -1 3 296.330 2.816 20 30 CFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCCC2)c1 ZINC000126715751 187258104 /nfs/dbraw/zinc/25/81/04/187258104.db2.gz OOAIUVKAVJMZAA-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126740455 187260217 /nfs/dbraw/zinc/26/02/17/187260217.db2.gz SSRVAVHJFYVOHJ-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM CCC1(CN=c2[n-]c(C#N)c(Cl)s2)CCOCC1 ZINC000596145599 349808261 /nfs/dbraw/zinc/80/82/61/349808261.db2.gz RAOAHZAJVFIQJI-UHFFFAOYSA-N -1 3 285.800 2.709 20 30 CFEDHM CC(C)[C@@H](O)C(C)(C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596171760 349816127 /nfs/dbraw/zinc/81/61/27/349816127.db2.gz CTKIZFBNFXLMLF-SECBINFHSA-N -1 3 287.816 2.545 20 30 CFEDHM C[C@H]1C[C@H](CCN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596192496 349822918 /nfs/dbraw/zinc/82/29/18/349822918.db2.gz GYVMLOMSOXVIKW-DTWKUNHWSA-N -1 3 285.800 2.707 20 30 CFEDHM N#Cc1[n-]c(=N[C@H]2CCCN3CCCC[C@H]23)sc1Cl ZINC000596296557 349855719 /nfs/dbraw/zinc/85/57/19/349855719.db2.gz LOLYJSHFMCPOKU-GXSJLCMTSA-N -1 3 296.827 2.519 20 30 CFEDHM O=C(CSCc1ccc(Cl)c(Cl)c1)N[O-] ZINC000145890518 539379987 /nfs/dbraw/zinc/37/99/87/539379987.db2.gz MCOUKYXHCHSNMZ-UHFFFAOYSA-N -1 3 266.149 2.732 20 30 CFEDHM C=C1CCN(C(=O)c2cc(SC)ccc2[O-])CC1 ZINC000668303834 539418074 /nfs/dbraw/zinc/41/80/74/539418074.db2.gz VQGSDKCFUIWARS-UHFFFAOYSA-N -1 3 263.362 2.906 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccccc2)nc(C)n1 ZINC000041574303 346353074 /nfs/dbraw/zinc/35/30/74/346353074.db2.gz WOHJCOFWSSJVJR-CYBMUJFWSA-N -1 3 251.289 2.584 20 30 CFEDHM Cc1ccc(C(=O)NCC#Cc2ccccc2)c([O-])c1C ZINC000051292526 346502296 /nfs/dbraw/zinc/50/22/96/346502296.db2.gz QEDLCPQPCDBWDX-UHFFFAOYSA-N -1 3 279.339 2.791 20 30 CFEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056410292 346607909 /nfs/dbraw/zinc/60/79/09/346607909.db2.gz USTUKCHETZLEFG-LLVKDONJSA-N -1 3 283.331 2.562 20 30 CFEDHM O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)[C@H]1CCCO1 ZINC000081731153 347433599 /nfs/dbraw/zinc/43/35/99/347433599.db2.gz JWHKNCCSAVFFFG-SECBINFHSA-N -1 3 294.261 2.517 20 30 CFEDHM O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)[C@H]1CCCO1 ZINC000081731153 347433602 /nfs/dbraw/zinc/43/36/02/347433602.db2.gz JWHKNCCSAVFFFG-SECBINFHSA-N -1 3 294.261 2.517 20 30 CFEDHM O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)[C@H]1CCCO1 ZINC000081731153 347433604 /nfs/dbraw/zinc/43/36/04/347433604.db2.gz JWHKNCCSAVFFFG-SECBINFHSA-N -1 3 294.261 2.517 20 30 CFEDHM CCCc1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084071100 347456731 /nfs/dbraw/zinc/45/67/31/347456731.db2.gz CZFOOGFLSGLFQQ-UHFFFAOYSA-N -1 3 278.362 2.676 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCC1 ZINC000157541587 348000791 /nfs/dbraw/zinc/00/07/91/348000791.db2.gz SZXGXUDATNQGLM-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM CC(C)c1cc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)on1 ZINC000290492017 348352446 /nfs/dbraw/zinc/35/24/46/348352446.db2.gz MNEACDPRQHIEMY-UHFFFAOYSA-N -1 3 285.307 2.522 20 30 CFEDHM N#CC(=C([O-])c1cccc(C(F)(F)F)c1)c1ccncn1 ZINC000354480540 348501321 /nfs/dbraw/zinc/50/13/21/348501321.db2.gz XJTUWQBLOVMEPR-LLVKDONJSA-N -1 3 291.232 2.985 20 30 CFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)C#N)c2)n1 ZINC000357824752 348505147 /nfs/dbraw/zinc/50/51/47/348505147.db2.gz JWDKOZQHTTVIIX-JTQLQIEISA-N -1 3 296.330 2.510 20 30 CFEDHM N#Cc1ccc(C2=CCN(Cc3ncccc3[O-])CC2)cc1 ZINC000589167758 348815129 /nfs/dbraw/zinc/81/51/29/348815129.db2.gz YKKZGCOOFNDYGD-UHFFFAOYSA-N -1 3 291.354 2.948 20 30 CFEDHM C[C@@H](CC#N)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000590440059 348900665 /nfs/dbraw/zinc/90/06/65/348900665.db2.gz CFBVZZFKFWMOMT-QMMMGPOBSA-N -1 3 286.253 2.785 20 30 CFEDHM Cc1cc(CN2CCC(C)(C(=O)[O-])CC2)ccc1C#N ZINC000592423540 349118877 /nfs/dbraw/zinc/11/88/77/349118877.db2.gz NQZIPMMVRHCQDN-UHFFFAOYSA-N -1 3 272.348 2.553 20 30 CFEDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(CC#N)c1 ZINC000592949815 349178780 /nfs/dbraw/zinc/17/87/80/349178780.db2.gz HKDKWTXBHGXFNG-UHFFFAOYSA-N -1 3 282.347 2.582 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(SC)c1 ZINC000593217912 349229320 /nfs/dbraw/zinc/22/93/20/349229320.db2.gz DOROGGLIRGBOKF-NSHDSACASA-N -1 3 284.406 2.761 20 30 CFEDHM CC1([N-]S(=O)(=O)c2ccsc2C#N)CCCCC1 ZINC000593534172 349291027 /nfs/dbraw/zinc/29/10/27/349291027.db2.gz GHWHUJWFOPZYSV-UHFFFAOYSA-N -1 3 284.406 2.621 20 30 CFEDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593589856 349295757 /nfs/dbraw/zinc/29/57/57/349295757.db2.gz YBTOWNCUYUSPGC-QWRGUYRKSA-N -1 3 298.433 2.867 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2ccsc2C#N)CCCC1 ZINC000593604057 349297350 /nfs/dbraw/zinc/29/73/50/349297350.db2.gz ZHJBZUZTGFLCES-UHFFFAOYSA-N -1 3 284.406 2.621 20 30 CFEDHM COc1ccccc1-c1cc(=NC(=O)CCCCC#N)[nH][n-]1 ZINC000594422028 349416815 /nfs/dbraw/zinc/41/68/15/349416815.db2.gz YMTDSCSDIAXPMV-UHFFFAOYSA-N -1 3 298.346 2.530 20 30 CFEDHM N#CCC1CN(Cc2cc([O-])ccc2Br)C1 ZINC000597194065 350050714 /nfs/dbraw/zinc/05/07/14/350050714.db2.gz MUMQDTVLILPQOI-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000597437678 350097223 /nfs/dbraw/zinc/09/72/23/350097223.db2.gz LKMGHYFCKXKWEZ-SNVBAGLBSA-N -1 3 290.388 2.878 20 30 CFEDHM C[C@H](C#N)N(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000598132670 350206223 /nfs/dbraw/zinc/20/62/23/350206223.db2.gz KLGSBAOBYKZCIZ-LLVKDONJSA-N -1 3 284.359 2.788 20 30 CFEDHM C[C@H](C#N)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000598137821 350209066 /nfs/dbraw/zinc/20/90/66/350209066.db2.gz MYZRZKXXMIUNCI-MRVPVSSYSA-N -1 3 264.712 2.562 20 30 CFEDHM C[C@@]1(C#N)CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000598415378 350263369 /nfs/dbraw/zinc/26/33/69/350263369.db2.gz PGIQWKPVUXSLRX-ZDUSSCGKSA-N -1 3 298.264 2.787 20 30 CFEDHM N#CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000598894204 350345732 /nfs/dbraw/zinc/34/57/32/350345732.db2.gz JVTTUZQBGHFFHO-UHFFFAOYSA-N -1 3 284.237 2.539 20 30 CFEDHM N#CCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000599340432 350418799 /nfs/dbraw/zinc/41/87/99/350418799.db2.gz DEROXCVKSYZMEN-UHFFFAOYSA-N -1 3 297.152 2.578 20 30 CFEDHM C=CCCSCCNC(=O)c1c(C)cccc1[O-] ZINC000600090887 350507763 /nfs/dbraw/zinc/50/77/63/350507763.db2.gz PMEJNYKSHPHLDC-UHFFFAOYSA-N -1 3 265.378 2.740 20 30 CFEDHM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])cc1C#N ZINC000600710136 350599327 /nfs/dbraw/zinc/59/93/27/350599327.db2.gz SHMSWALYEBYCAG-HNNXBMFYSA-N -1 3 272.348 2.696 20 30 CFEDHM N#CC1(C(=O)Nc2cc(F)ccc2[O-])CC2(CC2)C1 ZINC000601378052 350728079 /nfs/dbraw/zinc/72/80/79/350728079.db2.gz NXDNOGWMAYPUPG-UHFFFAOYSA-N -1 3 260.268 2.554 20 30 CFEDHM CCc1[n-]n(-c2ccc(C#N)cc2)c(=O)c1C(C)C ZINC000601933400 350807016 /nfs/dbraw/zinc/80/70/16/350807016.db2.gz XRXWLNXGNIWYSF-AWEZNQCLSA-N -1 3 255.321 2.943 20 30 CFEDHM C=CCCOCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000604901928 351230395 /nfs/dbraw/zinc/23/03/95/351230395.db2.gz GJASBHTYZFONCB-UHFFFAOYSA-N -1 3 269.728 2.885 20 30 CFEDHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(C#N)c1 ZINC000611565869 351709674 /nfs/dbraw/zinc/70/96/74/351709674.db2.gz VFUQVHZGAXHPIX-NSHDSACASA-N -1 3 266.300 2.755 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000668855088 539859019 /nfs/dbraw/zinc/85/90/19/539859019.db2.gz UECQMFLBZLFJNG-VIFPVBQESA-N -1 3 251.351 2.809 20 30 CFEDHM C=CCCC(C)(C)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000620858167 353242118 /nfs/dbraw/zinc/24/21/18/353242118.db2.gz YNSLWJVJHFONAO-UHFFFAOYSA-N -1 3 290.363 2.825 20 30 CFEDHM N#Cc1cc(F)ccc1NC([O-])=NOCCC(F)(F)F ZINC000157556887 188324780 /nfs/dbraw/zinc/32/47/80/188324780.db2.gz WHSLJBATSPNAAL-UHFFFAOYSA-N -1 3 291.204 2.703 20 30 CFEDHM N#Cc1cc(F)ccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157556887 188324781 /nfs/dbraw/zinc/32/47/81/188324781.db2.gz WHSLJBATSPNAAL-UHFFFAOYSA-N -1 3 291.204 2.703 20 30 CFEDHM CC(C)Oc1ccc(NC(=O)[N-]OCC2CC2)cc1C#N ZINC000292580582 198340515 /nfs/dbraw/zinc/34/05/15/198340515.db2.gz DKINAJPAHSASBJ-UHFFFAOYSA-N -1 3 289.335 2.809 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccs1 ZINC000625327571 354023859 /nfs/dbraw/zinc/02/38/59/354023859.db2.gz GTYJYWJQPSNKEW-UHFFFAOYSA-N -1 3 259.396 2.629 20 30 CFEDHM C=CC[C@H]1CCN(C(=O)c2ccc(CC)cc2[O-])C1 ZINC000628491349 354607260 /nfs/dbraw/zinc/60/72/60/354607260.db2.gz WSXVJWYIFMLCHM-ZDUSSCGKSA-N -1 3 259.349 2.993 20 30 CFEDHM C=CCOc1ccccc1CN1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000629772847 354927903 /nfs/dbraw/zinc/92/79/03/354927903.db2.gz YEKZPKCPAZAFQU-UKRRQHHQSA-N -1 3 289.375 2.794 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC1 ZINC000180102234 189237208 /nfs/dbraw/zinc/23/72/08/189237208.db2.gz CGFJAQRTARKRFN-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM Cc1nc(C)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000041493801 328708868 /nfs/dbraw/zinc/70/88/68/328708868.db2.gz CBFAXQGWGORYGT-SNVBAGLBSA-N -1 3 257.318 2.645 20 30 CFEDHM CCC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000183865648 189369706 /nfs/dbraw/zinc/36/97/06/189369706.db2.gz AAWAHXKAYKRGLJ-UHFFFAOYSA-N -1 3 298.795 2.823 20 30 CFEDHM CCc1ccc(-c2nc(C)c(C(=O)N[O-])s2)cc1 ZINC000671998455 541410627 /nfs/dbraw/zinc/41/06/27/541410627.db2.gz LVUMQSNIDVCVEN-UHFFFAOYSA-N -1 3 262.334 2.800 20 30 CFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000443097071 241038510 /nfs/dbraw/zinc/03/85/10/241038510.db2.gz WDKUEBFDZLSVHX-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM C=C(CNC(=O)c1cc(OC)ccc1[O-])c1ccccc1 ZINC000673342250 541479731 /nfs/dbraw/zinc/47/97/31/541479731.db2.gz WKVHALRBUFWVRQ-UHFFFAOYSA-N -1 3 283.327 2.844 20 30 CFEDHM Cc1cc([N-]C(=O)COc2cc(Cl)ccc2C#N)on1 ZINC000446068222 241269103 /nfs/dbraw/zinc/26/91/03/241269103.db2.gz QRPJZLHRVNDTOP-UHFFFAOYSA-N -1 3 291.694 2.526 20 30 CFEDHM CN(Cc1cccc(C#N)c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459301470 245128617 /nfs/dbraw/zinc/12/86/17/245128617.db2.gz WIPVCGMDHUNSOZ-UHFFFAOYSA-N -1 3 294.358 2.563 20 30 CFEDHM CCC#C[C@@H](C)Sc1nnc(-c2ccccn2)[n-]1 ZINC000677132603 541825841 /nfs/dbraw/zinc/82/58/41/541825841.db2.gz IGVQKPONFUILSM-SNVBAGLBSA-N -1 3 258.350 2.761 20 30 CFEDHM CCC#C[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000677132603 541825844 /nfs/dbraw/zinc/82/58/44/541825844.db2.gz IGVQKPONFUILSM-SNVBAGLBSA-N -1 3 258.350 2.761 20 30 CFEDHM O=C(Cc1ccc(F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000048607432 373208894 /nfs/dbraw/zinc/20/88/94/373208894.db2.gz IVPUWXMDCHEHRS-UHFFFAOYSA-N -1 3 288.204 2.793 20 30 CFEDHM O=C(Cc1ccc(F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000048607432 373208901 /nfs/dbraw/zinc/20/89/01/373208901.db2.gz IVPUWXMDCHEHRS-UHFFFAOYSA-N -1 3 288.204 2.793 20 30 CFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1ccco1 ZINC000049398945 373292719 /nfs/dbraw/zinc/29/27/19/373292719.db2.gz IPKXDDJCIUELRU-NTSWFWBYSA-N -1 3 286.213 2.808 20 30 CFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccco1 ZINC000049398945 373292724 /nfs/dbraw/zinc/29/27/24/373292724.db2.gz IPKXDDJCIUELRU-NTSWFWBYSA-N -1 3 286.213 2.808 20 30 CFEDHM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1ccccn1 ZINC000102118866 375664909 /nfs/dbraw/zinc/66/49/09/375664909.db2.gz GGSSXLOKILKALX-ZDUSSCGKSA-N -1 3 281.271 2.788 20 30 CFEDHM COc1ccc(C(=O)N(CCC#N)CC(C)(C)C)c([O-])c1 ZINC000118227172 376278732 /nfs/dbraw/zinc/27/87/32/376278732.db2.gz CEUIGMQHMVMWRQ-UHFFFAOYSA-N -1 3 290.363 2.803 20 30 CFEDHM C=CCC(CC=C)C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000636115982 383721521 /nfs/dbraw/zinc/72/15/21/383721521.db2.gz YKHFSEGLEBDKEY-UHFFFAOYSA-N -1 3 289.379 2.610 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000134897603 378061026 /nfs/dbraw/zinc/06/10/26/378061026.db2.gz JDBDCAYKTIOQAV-SSDOTTSWSA-N -1 3 295.191 2.631 20 30 CFEDHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151188799 378305021 /nfs/dbraw/zinc/30/50/21/378305021.db2.gz ULGLPGBRLGQSNE-UHFFFAOYSA-N -1 3 284.356 2.554 20 30 CFEDHM O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329343018 378456540 /nfs/dbraw/zinc/45/65/40/378456540.db2.gz PWIAGEILTYRMSK-RYUDHWBXSA-N -1 3 293.367 2.551 20 30 CFEDHM CCC1(CC)[C@H](NC(=O)c2csc(=O)[n-]2)C[C@H]1OC ZINC000329900674 378511341 /nfs/dbraw/zinc/51/13/41/378511341.db2.gz GHVKYHWVFPBPCH-NXEZZACHSA-N -1 3 284.381 2.747 20 30 CFEDHM O=C(NC1CCC(F)(F)CC1)c1csc(=O)[n-]1 ZINC000329920744 378514488 /nfs/dbraw/zinc/51/44/88/378514488.db2.gz FEWKWOUWRFNWGK-UHFFFAOYSA-N -1 3 262.281 2.731 20 30 CFEDHM COCCC1(CNC(=O)c2csc(=O)[n-]2)CCCC1 ZINC000329952353 378516984 /nfs/dbraw/zinc/51/69/84/378516984.db2.gz CWXAIJJPCLFWOI-UHFFFAOYSA-N -1 3 284.381 2.750 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC(C)(C)c2noc(C)n2)c1 ZINC000330599065 378589919 /nfs/dbraw/zinc/58/99/19/378589919.db2.gz GAKDMFDOMFQGDL-UHFFFAOYSA-N -1 3 289.335 2.886 20 30 CFEDHM CCCN1CCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000330682478 378596500 /nfs/dbraw/zinc/59/65/00/378596500.db2.gz HRIMUWITYWGQEF-JTQLQIEISA-N -1 3 298.333 2.849 20 30 CFEDHM Cc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)cs1 ZINC000335354783 379147551 /nfs/dbraw/zinc/14/75/51/379147551.db2.gz JEOIVKYLCQMDTH-UHFFFAOYSA-N -1 3 279.271 2.854 20 30 CFEDHM N#Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c[nH]1 ZINC000334371280 379177934 /nfs/dbraw/zinc/17/79/34/379177934.db2.gz WYCXSAIFIGAVKG-UHFFFAOYSA-N -1 3 295.220 2.863 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000279089629 194279951 /nfs/dbraw/zinc/27/99/51/194279951.db2.gz NHMDBTMTQWNMGB-NWDGAFQWSA-N -1 3 282.347 2.774 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]c1nc(-c2cccs2)nn1C ZINC000295364437 380810856 /nfs/dbraw/zinc/81/08/56/380810856.db2.gz ZKNSBZHDOZOMJC-UHFFFAOYSA-N -1 3 298.318 2.694 20 30 CFEDHM COCc1ncsc1C(=O)[N-]c1ccc(F)cc1C#N ZINC000341415027 381004446 /nfs/dbraw/zinc/00/44/46/381004446.db2.gz FWPYWBJRGNYJTE-UHFFFAOYSA-N -1 3 291.307 2.553 20 30 CFEDHM N#Cc1ccccc1SCC(=O)Nc1ccccc1[O-] ZINC000358921672 381157210 /nfs/dbraw/zinc/15/72/10/381157210.db2.gz IXOARZSJXANGBT-UHFFFAOYSA-N -1 3 284.340 2.995 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)Cc1ccc(C#N)cc1 ZINC000183027185 381199510 /nfs/dbraw/zinc/19/95/10/381199510.db2.gz RXIJNMGAUNKAJT-UHFFFAOYSA-N -1 3 266.300 2.754 20 30 CFEDHM N#CCc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049458744 412943500 /nfs/dbraw/zinc/94/35/00/412943500.db2.gz ADQKTNVHXYZDSM-CQSZACIVSA-N -1 3 261.284 2.638 20 30 CFEDHM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049457646 412944696 /nfs/dbraw/zinc/94/46/96/412944696.db2.gz YBAZPTXMKGSZLX-AWEZNQCLSA-N -1 3 293.326 2.920 20 30 CFEDHM N#Cc1c(F)cccc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000413001875 381531561 /nfs/dbraw/zinc/53/15/61/381531561.db2.gz QKBXTNFDMAPTMT-UHFFFAOYSA-N -1 3 285.278 2.649 20 30 CFEDHM C#CCO[N-]C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000291069344 381656444 /nfs/dbraw/zinc/65/64/44/381656444.db2.gz LLHQQLRQGVUEEB-RYUDHWBXSA-N -1 3 284.142 2.778 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1C ZINC000361542068 381842491 /nfs/dbraw/zinc/84/24/91/381842491.db2.gz VXJRXVCODUPEOT-AWEZNQCLSA-N -1 3 290.326 2.767 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@H](COC)c1ccc(C)o1 ZINC000293132829 382002579 /nfs/dbraw/zinc/00/25/79/382002579.db2.gz FZJWOVNTEGTAKI-SNVBAGLBSA-N -1 3 273.279 2.603 20 30 CFEDHM C[C@@H](C#N)CN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000351729065 382059441 /nfs/dbraw/zinc/05/94/41/382059441.db2.gz CJSGJKKOUADDTF-VIFPVBQESA-N -1 3 266.291 2.794 20 30 CFEDHM Cc1ccc(NC(=O)c2cccc(F)c2C#N)c([O-])c1 ZINC000187414239 382177567 /nfs/dbraw/zinc/17/75/67/382177567.db2.gz YOWLDNZGFFEBJH-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM C=CCSCCNCc1c(F)ccc([O-])c1F ZINC000352449204 382338264 /nfs/dbraw/zinc/33/82/64/382338264.db2.gz LSDVWZHHPMMXKP-UHFFFAOYSA-N -1 3 259.321 2.679 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccco3)nc21 ZINC000345405029 382301271 /nfs/dbraw/zinc/30/12/71/382301271.db2.gz VNNCIGOOVFCILY-SNVBAGLBSA-N -1 3 265.272 2.954 20 30 CFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ccco3)[nH]c21 ZINC000345405029 382301276 /nfs/dbraw/zinc/30/12/76/382301276.db2.gz VNNCIGOOVFCILY-SNVBAGLBSA-N -1 3 265.272 2.954 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000353135341 382493483 /nfs/dbraw/zinc/49/34/83/382493483.db2.gz WMTUWIIAMHZTLK-LLVKDONJSA-N -1 3 298.795 2.845 20 30 CFEDHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000384682055 382555915 /nfs/dbraw/zinc/55/59/15/382555915.db2.gz UOPWYYKNKPGOTL-SECBINFHSA-N -1 3 286.422 2.723 20 30 CFEDHM N#CC(=C([O-])c1ccc(OCC2CC2)cc1)c1ccncn1 ZINC000680617790 542343132 /nfs/dbraw/zinc/34/31/32/542343132.db2.gz FHHWOODDUSETOE-OAHLLOKOSA-N -1 3 293.326 2.755 20 30 CFEDHM C=CCCN(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000346826389 382531930 /nfs/dbraw/zinc/53/19/30/382531930.db2.gz KZAGFTLQOLLWLX-UHFFFAOYSA-N -1 3 253.729 2.623 20 30 CFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000192985883 382714328 /nfs/dbraw/zinc/71/43/28/382714328.db2.gz XFJSSVKITWIEJA-UHFFFAOYSA-N -1 3 283.327 2.926 20 30 CFEDHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1 ZINC000337135298 382765935 /nfs/dbraw/zinc/76/59/35/382765935.db2.gz MELBBQCLDAXDBE-CQSZACIVSA-N -1 3 294.420 2.661 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cnn(C2CCCC2)c1C ZINC000194220330 382737834 /nfs/dbraw/zinc/73/78/34/382737834.db2.gz MNVBDRKXTMNDCR-UHFFFAOYSA-N -1 3 283.397 2.624 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337457169 382824078 /nfs/dbraw/zinc/82/40/78/382824078.db2.gz KLKJMKSOJDBKNF-SECBINFHSA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337457169 382824080 /nfs/dbraw/zinc/82/40/80/382824080.db2.gz KLKJMKSOJDBKNF-SECBINFHSA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337457169 382824082 /nfs/dbraw/zinc/82/40/82/382824082.db2.gz KLKJMKSOJDBKNF-SECBINFHSA-N -1 3 276.315 2.572 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1ccc(OCC)c(C)c1 ZINC000493797105 382903739 /nfs/dbraw/zinc/90/37/39/382903739.db2.gz XFGXFNUXRRCBJF-CLFYSBASSA-N -1 3 261.321 2.641 20 30 CFEDHM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1ccccn1 ZINC000545449228 382977638 /nfs/dbraw/zinc/97/76/38/382977638.db2.gz OTNVSIQJUHTPAJ-LLVKDONJSA-N -1 3 267.288 2.746 20 30 CFEDHM C=CCn1c(SCc2nc(C)sc2C)n[n-]c1=O ZINC000443521246 382967494 /nfs/dbraw/zinc/96/74/94/382967494.db2.gz HZHDYRUMTULXLO-UHFFFAOYSA-N -1 3 282.394 2.535 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000447869053 383019327 /nfs/dbraw/zinc/01/93/27/383019327.db2.gz OTMUNHCJGPYXCN-UHFFFAOYSA-N -1 3 279.814 2.954 20 30 CFEDHM C=CCC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCC1 ZINC000449263067 383189069 /nfs/dbraw/zinc/18/90/69/383189069.db2.gz JRCSGGORFNHNGB-UHFFFAOYSA-N -1 3 288.273 2.899 20 30 CFEDHM C=CCC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCC1 ZINC000449263067 383189073 /nfs/dbraw/zinc/18/90/73/383189073.db2.gz JRCSGGORFNHNGB-UHFFFAOYSA-N -1 3 288.273 2.899 20 30 CFEDHM Cc1cc(OCC2(C#N)CCC2)cc2occ([O-])c21 ZINC000634561067 383235997 /nfs/dbraw/zinc/23/59/97/383235997.db2.gz KBGVLPMZEACVSW-UHFFFAOYSA-N -1 3 257.289 2.643 20 30 CFEDHM C=CCCCN(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000449902469 383370666 /nfs/dbraw/zinc/37/06/66/383370666.db2.gz PHCBZWRAJWLDDC-UHFFFAOYSA-N -1 3 287.363 3.000 20 30 CFEDHM C=CCCCN(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000449902469 383370674 /nfs/dbraw/zinc/37/06/74/383370674.db2.gz PHCBZWRAJWLDDC-UHFFFAOYSA-N -1 3 287.363 3.000 20 30 CFEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)c(C)nc1C ZINC000486979057 383475779 /nfs/dbraw/zinc/47/57/79/383475779.db2.gz CXZQZPLUGMJUDD-OAHLLOKOSA-N -1 3 293.326 2.786 20 30 CFEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)c(C)nc1C ZINC000486979056 383475929 /nfs/dbraw/zinc/47/59/29/383475929.db2.gz CXZQZPLUGMJUDD-HNNXBMFYSA-N -1 3 293.326 2.786 20 30 CFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1F ZINC000570474693 383607646 /nfs/dbraw/zinc/60/76/46/383607646.db2.gz QWACDRKAFAGUFH-GFCCVEGCSA-N -1 3 297.289 2.669 20 30 CFEDHM CCc1cncc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000434630473 383769365 /nfs/dbraw/zinc/76/93/65/383769365.db2.gz TVMJZCYVAFJCHK-CYBMUJFWSA-N -1 3 251.289 2.529 20 30 CFEDHM CC#CCCNC(=O)c1ccc(OCCCC)cc1[O-] ZINC000436976947 383897737 /nfs/dbraw/zinc/89/77/37/383897737.db2.gz BAFJLNHPYIMUOQ-UHFFFAOYSA-N -1 3 275.348 2.714 20 30 CFEDHM N#CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCC1 ZINC000265699283 383980459 /nfs/dbraw/zinc/98/04/59/383980459.db2.gz STBCRNAOUIOLJG-UHFFFAOYSA-N -1 3 295.342 2.849 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000532343538 384014502 /nfs/dbraw/zinc/01/45/02/384014502.db2.gz KVNDGHQLBQJTTD-UHFFFAOYSA-N -1 3 291.351 2.602 20 30 CFEDHM C=CCC(CC=C)C(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000532343538 384014507 /nfs/dbraw/zinc/01/45/07/384014507.db2.gz KVNDGHQLBQJTTD-UHFFFAOYSA-N -1 3 291.351 2.602 20 30 CFEDHM N#Cc1ccccc1OCCOc1ccc2c([O-])coc2c1 ZINC000642608573 384441038 /nfs/dbraw/zinc/44/10/38/384441038.db2.gz IBGSGIBVARXRSS-UHFFFAOYSA-N -1 3 295.294 2.591 20 30 CFEDHM C=CCOc1ccccc1CN1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000574810475 335049271 /nfs/dbraw/zinc/04/92/71/335049271.db2.gz HMWKBBZKMAHLOK-ZFWWWQNUSA-N -1 3 289.375 2.794 20 30 CFEDHM Cc1cc(NC(=O)c2ccc(C)c(C)c2[O-])nn1CCC#N ZINC000271084326 385332626 /nfs/dbraw/zinc/33/26/26/385332626.db2.gz YHFQQSLRUODNGF-UHFFFAOYSA-N -1 3 298.346 2.680 20 30 CFEDHM CC#CCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000274527826 385817534 /nfs/dbraw/zinc/81/75/34/385817534.db2.gz QBRUXBGOZZJEEJ-UHFFFAOYSA-N -1 3 257.333 2.865 20 30 CFEDHM C=CCCOCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000681088767 542409207 /nfs/dbraw/zinc/40/92/07/542409207.db2.gz NISFRCGCYSRZID-LBPRGKRZSA-N -1 3 275.348 2.825 20 30 CFEDHM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccccn1 ZINC000067798249 260012248 /nfs/dbraw/zinc/01/22/48/260012248.db2.gz LQTGAYPLSXWGBF-ZDUSSCGKSA-N -1 3 281.271 2.788 20 30 CFEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(F)c1 ZINC000179183865 393454969 /nfs/dbraw/zinc/45/49/69/393454969.db2.gz VHUBYZPEMWZKLX-INIZCTEOSA-N -1 3 296.301 2.731 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000336795870 393748758 /nfs/dbraw/zinc/74/87/58/393748758.db2.gz NVZMZHWIMRLALZ-UHFFFAOYSA-N -1 3 284.406 2.500 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCC1 ZINC000125970931 394016831 /nfs/dbraw/zinc/01/68/31/394016831.db2.gz DGZIMRXXSHZBAA-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)cc1 ZINC000417625798 393985851 /nfs/dbraw/zinc/98/58/51/393985851.db2.gz MVKSZLIBMQTQPL-LBPRGKRZSA-N -1 3 253.729 2.849 20 30 CFEDHM C[C@@](C#N)(NC(=O)/C=C\c1cncc([O-])c1)C1CCCCC1 ZINC000493342899 394216954 /nfs/dbraw/zinc/21/69/54/394216954.db2.gz ZUVHXHFSRRXRPH-QWPQOLDESA-N -1 3 299.374 2.779 20 30 CFEDHM C=C[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000289929338 394225161 /nfs/dbraw/zinc/22/51/61/394225161.db2.gz VLDLITXNMUQZGT-YUMQZZPRSA-N -1 3 276.163 2.897 20 30 CFEDHM N#C[C@@H]1N(Cc2ccccc2[O-])CCC[C@]12CCCCO2 ZINC000366151341 394240495 /nfs/dbraw/zinc/24/04/95/394240495.db2.gz JSIUXPGBZZQOBB-DLBZAZTESA-N -1 3 286.375 2.819 20 30 CFEDHM O=C(C/N=C/c1ccccc1[O-])OC1CCCCC1 ZINC000175066593 394380454 /nfs/dbraw/zinc/38/04/54/394380454.db2.gz PEZGAHYIKDYKGL-MHWRWJLKSA-N -1 3 261.321 2.687 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1C ZINC000195028839 543096347 /nfs/dbraw/zinc/09/63/47/543096347.db2.gz QENBCFIRAZWFJZ-CYBMUJFWSA-N -1 3 290.326 2.767 20 30 CFEDHM Cc1csc([N-]C(=O)c2cn(C(C)(C)C)nn2)c1C#N ZINC000344931720 162149923 /nfs/dbraw/zinc/14/99/23/162149923.db2.gz SNVVNVGDACJNIU-UHFFFAOYSA-N -1 3 289.364 2.527 20 30 CFEDHM C=CCCOCC(=O)Nc1c([O-])cccc1Cl ZINC000655110529 414102254 /nfs/dbraw/zinc/10/22/54/414102254.db2.gz CLJRGJNOHXLBSD-UHFFFAOYSA-N -1 3 255.701 2.577 20 30 CFEDHM N#CC(=C([O-])c1cccc(N2CCCC2)c1)c1ccncn1 ZINC000659115477 414441947 /nfs/dbraw/zinc/44/19/47/414441947.db2.gz ZCUNUCRRTOYQSH-HNNXBMFYSA-N -1 3 292.342 2.567 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000660143691 414670349 /nfs/dbraw/zinc/67/03/49/414670349.db2.gz WLWGFFHUNCRHQO-UHFFFAOYSA-N -1 3 288.438 2.783 20 30 CFEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)cc1)c1ccncn1 ZINC000354462265 227001818 /nfs/dbraw/zinc/00/18/18/227001818.db2.gz HCYYLPGMGSNTNT-NSHDSACASA-N -1 3 291.232 2.985 20 30 CFEDHM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1ccncn1 ZINC000354480512 227011649 /nfs/dbraw/zinc/01/16/49/227011649.db2.gz XEWGGKYOXVAXPT-OAHLLOKOSA-N -1 3 288.310 2.757 20 30 CFEDHM Cc1cnc([C@@H](C)NC(=O)c2csc(=O)[n-]2)s1 ZINC000329975786 228003575 /nfs/dbraw/zinc/00/35/75/228003575.db2.gz DUKQFWXAXGSRGE-ZCFIWIBFSA-N -1 3 269.351 2.679 20 30 CFEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(F)ccc1[O-] ZINC000188643460 260170750 /nfs/dbraw/zinc/17/07/50/260170750.db2.gz FGFPCWSLCGPFKX-CQSZACIVSA-N -1 3 267.300 2.699 20 30 CFEDHM N#C[C@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000040360533 260222626 /nfs/dbraw/zinc/22/26/26/260222626.db2.gz CSCSTLJTEHJUNA-ZDUSSCGKSA-N -1 3 258.321 2.594 20 30 CFEDHM CC1(C)C[C@]1(C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000427895924 260875797 /nfs/dbraw/zinc/87/57/97/260875797.db2.gz UITABDNBJRHQFT-MRXNPFEDSA-N -1 3 290.338 2.662 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000152165127 261060581 /nfs/dbraw/zinc/06/05/81/261060581.db2.gz FMHJYOXNSPDJHF-BDJLRTHQSA-N -1 3 288.347 2.603 20 30 CFEDHM Cc1cnc([C@@H](C)C/N=C/c2ccc(O)c([O-])c2O)s1 ZINC000182170865 261927611 /nfs/dbraw/zinc/92/76/11/261927611.db2.gz UNLSTSJIFFYGTF-CUXJQWCSSA-N 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MXLJRGPMWYFGOQ-LBPRGKRZSA-N -1 3 293.371 2.523 20 30 CFEDHM Cc1ccc2[n-]cc(C(=O)NCCCCC#N)c(=O)c2c1 ZINC000286323139 263098129 /nfs/dbraw/zinc/09/81/29/263098129.db2.gz ZVJOHIXPKBQANT-UHFFFAOYSA-N -1 3 283.331 2.673 20 30 CFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)NC1(C#N)CCC1)c2=O ZINC000286963562 263100310 /nfs/dbraw/zinc/10/03/10/263100310.db2.gz NEZJJTDJXNDHRI-UHFFFAOYSA-N -1 3 299.305 2.564 20 30 CFEDHM CCN(CC#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294451903 263161831 /nfs/dbraw/zinc/16/18/31/263161831.db2.gz HNEWGZSGMUNPFE-UHFFFAOYSA-N -1 3 282.343 2.850 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295547049 263179394 /nfs/dbraw/zinc/17/93/94/263179394.db2.gz LWFWNESMLOGUKM-RYUDHWBXSA-N -1 3 258.321 2.513 20 30 CFEDHM CC1(C#N)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297407424 263204786 /nfs/dbraw/zinc/20/47/86/263204786.db2.gz KZTGHAFXOIUMHS-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM CCC1(CNC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000328662692 263835099 /nfs/dbraw/zinc/83/50/99/263835099.db2.gz XLYFRFOLQXHPJS-UHFFFAOYSA-N -1 3 262.288 2.592 20 30 CFEDHM CCC1(CNC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000328662692 263835100 /nfs/dbraw/zinc/83/51/00/263835100.db2.gz XLYFRFOLQXHPJS-UHFFFAOYSA-N -1 3 262.288 2.592 20 30 CFEDHM CCC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328662692 263835103 /nfs/dbraw/zinc/83/51/03/263835103.db2.gz XLYFRFOLQXHPJS-UHFFFAOYSA-N -1 3 262.288 2.592 20 30 CFEDHM COc1ccsc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000330838036 264051623 /nfs/dbraw/zinc/05/16/23/264051623.db2.gz LHKVRYDZCSNGOR-UHFFFAOYSA-N -1 3 280.353 2.740 20 30 CFEDHM CS[C@@H](CNC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000331022489 264098941 /nfs/dbraw/zinc/09/89/41/264098941.db2.gz SUUIQKPXPLXABO-QMMMGPOBSA-N -1 3 274.411 2.931 20 30 CFEDHM CC1(C)Cc2ccc(C(=O)NCCCC#N)c([O-])c2O1 ZINC000331241118 264177305 /nfs/dbraw/zinc/17/73/05/264177305.db2.gz PVGLWOVJWKMICG-UHFFFAOYSA-N -1 3 274.320 2.714 20 30 CFEDHM Cc1cccc(C(=O)Nc2ncn(C(C)(C)C)n2)c1[O-] ZINC000331245857 264178697 /nfs/dbraw/zinc/17/86/97/264178697.db2.gz UJFRTHIFFIHKMQ-UHFFFAOYSA-N -1 3 274.324 2.683 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000353135343 265635229 /nfs/dbraw/zinc/63/52/29/265635229.db2.gz WMTUWIIAMHZTLK-NSHDSACASA-N -1 3 298.795 2.845 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccccc3)nc1-2 ZINC000357661318 266342070 /nfs/dbraw/zinc/34/20/70/266342070.db2.gz HEDRQFFUFPVKKD-LBPRGKRZSA-N -1 3 276.299 2.756 20 30 CFEDHM C#CC[C@@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000368536166 267181713 /nfs/dbraw/zinc/18/17/13/267181713.db2.gz BGNJFFVQPRNWSS-LLVKDONJSA-N -1 3 282.347 2.630 20 30 CFEDHM Cc1cc(C#N)ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000133603816 280746385 /nfs/dbraw/zinc/74/63/85/280746385.db2.gz YJFOEMNXLRZPAD-UHFFFAOYSA-N -1 3 284.290 2.641 20 30 CFEDHM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000582101947 327854402 /nfs/dbraw/zinc/85/44/02/327854402.db2.gz AVYRDOTVCOSHAU-PWSUYJOCSA-N -1 3 281.315 2.684 20 30 CFEDHM C=CCn1c(S[C@@H]2CCC[C@H](C)C2)n[n-]c1=O ZINC000531850521 328044870 /nfs/dbraw/zinc/04/48/70/328044870.db2.gz SYMHRYWEKUHGFO-VHSXEESVSA-N -1 3 253.371 2.841 20 30 CFEDHM CCc1c([N-]C(=O)[C@]2(C#N)C[C@@H]2C)onc1C(F)(F)F ZINC000563360062 328056251 /nfs/dbraw/zinc/05/62/51/328056251.db2.gz XUUIPKOMEXKUAM-KGFZYKRKSA-N -1 3 287.241 2.744 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2(C)CCCC2)c1[O-] ZINC000264686677 328161341 /nfs/dbraw/zinc/16/13/41/328161341.db2.gz BYQJCNAGBOITGW-LZYBPNLTSA-N -1 3 262.353 2.587 20 30 CFEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(CC#N)cc1 ZINC000291701172 328265829 /nfs/dbraw/zinc/26/58/29/328265829.db2.gz FLGLSQAOVRCFOS-NSHDSACASA-N -1 3 261.325 2.852 20 30 CFEDHM C=C(C)C[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000184719477 328535344 /nfs/dbraw/zinc/53/53/44/328535344.db2.gz RAEWBAQTNUOWOJ-JTQLQIEISA-N -1 3 251.301 2.750 20 30 CFEDHM CC[C@H](CC#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000346218612 328570664 /nfs/dbraw/zinc/57/06/64/328570664.db2.gz JNGMOXGNLHIRKX-GFCCVEGCSA-N -1 3 278.327 2.662 20 30 CFEDHM C[C@](C#N)(NC(=O)c1cccc2nn[n-]c21)C1CCCCC1 ZINC000559667583 327257380 /nfs/dbraw/zinc/25/73/80/327257380.db2.gz MFEUOXAGFZTVFL-MRXNPFEDSA-N -1 3 297.362 2.550 20 30 CFEDHM C[C@](C#N)(NC(=O)c1cccc2[n-]nnc21)C1CCCCC1 ZINC000559667583 327257381 /nfs/dbraw/zinc/25/73/81/327257381.db2.gz MFEUOXAGFZTVFL-MRXNPFEDSA-N -1 3 297.362 2.550 20 30 CFEDHM C[C@](C#N)(NC(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000559667583 327257382 /nfs/dbraw/zinc/25/73/82/327257382.db2.gz MFEUOXAGFZTVFL-MRXNPFEDSA-N -1 3 297.362 2.550 20 30 CFEDHM CCCn1c(S[C@@H](C#N)c2ccccc2)n[n-]c1=O ZINC000566496801 327399598 /nfs/dbraw/zinc/39/95/98/327399598.db2.gz NTTNWRZNTDIQAG-NSHDSACASA-N -1 3 274.349 2.751 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000179022472 329203549 /nfs/dbraw/zinc/20/35/49/329203549.db2.gz NSFDKHYBOIJXAL-UHFFFAOYSA-N -1 3 268.363 2.614 20 30 CFEDHM N#CCCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419591376 329742021 /nfs/dbraw/zinc/74/20/21/329742021.db2.gz UEUGNIGPDAJMDN-UHFFFAOYSA-N -1 3 263.366 2.987 20 30 CFEDHM CCn1c(=O)[n-]nc1SCC#Cc1ccccc1Cl ZINC000533009192 330323989 /nfs/dbraw/zinc/32/39/89/330323989.db2.gz IYESZCUHSGQBJY-UHFFFAOYSA-N -1 3 293.779 2.801 20 30 CFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000088475590 330376595 /nfs/dbraw/zinc/37/65/95/330376595.db2.gz POLHDHSRMWBGRG-JTQLQIEISA-N -1 3 272.757 2.692 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429822264 330555507 /nfs/dbraw/zinc/55/55/07/330555507.db2.gz BIQLKEKJFPMBDX-SSDOTTSWSA-N -1 3 280.176 2.846 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1sc(C)nc1C ZINC000432278864 330596709 /nfs/dbraw/zinc/59/67/09/330596709.db2.gz ASNRPBDELIMVHE-UHFFFAOYSA-N -1 3 288.438 2.641 20 30 CFEDHM C=CCC[C@H](NC(=O)c1cc(C)nc(=O)[n-]1)c1ccccc1 ZINC000435753756 330662238 /nfs/dbraw/zinc/66/22/38/330662238.db2.gz SNCQFILHKNXHEJ-AWEZNQCLSA-N -1 3 297.358 2.928 20 30 CFEDHM CC(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1[O-] ZINC000436524955 330679201 /nfs/dbraw/zinc/67/92/01/330679201.db2.gz LTQKESBGXSVPPP-UHFFFAOYSA-N -1 3 294.310 2.913 20 30 CFEDHM CCc1ccc(C(=O)NCC#Cc2cccc(F)c2)c([O-])c1 ZINC000436654566 330682296 /nfs/dbraw/zinc/68/22/96/330682296.db2.gz GCSGIBWAGBELGI-UHFFFAOYSA-N -1 3 297.329 2.875 20 30 CFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc([O-])cc1F ZINC000438284455 330720902 /nfs/dbraw/zinc/72/09/02/330720902.db2.gz UAMUPAPKXJNGRK-CQSZACIVSA-N -1 3 267.300 2.699 20 30 CFEDHM C=CCn1c(S[C@@H](C)C(=O)C2CCCCC2)n[n-]c1=O ZINC000450870955 331003941 /nfs/dbraw/zinc/00/39/41/331003941.db2.gz MRJZKDBDTLXQQW-JTQLQIEISA-N -1 3 295.408 2.800 20 30 CFEDHM C=CCCCNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451291919 331023501 /nfs/dbraw/zinc/02/35/01/331023501.db2.gz BFOMIGCTNNFPHA-UHFFFAOYSA-N -1 3 273.336 2.658 20 30 CFEDHM C=CCCCNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451291919 331023502 /nfs/dbraw/zinc/02/35/02/331023502.db2.gz BFOMIGCTNNFPHA-UHFFFAOYSA-N -1 3 273.336 2.658 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000451810130 331043324 /nfs/dbraw/zinc/04/33/24/331043324.db2.gz OCXMOKTZBSXRRR-UHFFFAOYSA-N -1 3 291.775 2.970 20 30 CFEDHM C=C(C)Cn1c([C@]2(C)CCCO2)n[n-]c1=NC(C)(C)C ZINC000453460907 331132532 /nfs/dbraw/zinc/13/25/32/331132532.db2.gz FEWWMHINIDZZPD-HNNXBMFYSA-N -1 3 278.400 2.512 20 30 CFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(O)cc1[O-] ZINC000195323636 331170525 /nfs/dbraw/zinc/17/05/25/331170525.db2.gz RMCNZDYSYJXDQH-UHFFFAOYSA-N -1 3 289.356 2.988 20 30 CFEDHM C=CCC[C@H](CO)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000456768169 331201915 /nfs/dbraw/zinc/20/19/15/331201915.db2.gz NWVAUAXHTJUKNR-CYBMUJFWSA-N -1 3 277.364 2.573 20 30 CFEDHM CC(C)(CC#N)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000457998733 331240327 /nfs/dbraw/zinc/24/03/27/331240327.db2.gz XVNUSEUXHZTCBL-UHFFFAOYSA-N -1 3 292.354 2.910 20 30 CFEDHM N#CCCN(Cc1ccco1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459346014 331277362 /nfs/dbraw/zinc/27/73/62/331277362.db2.gz BFLJRFDIUPRNDA-UHFFFAOYSA-N -1 3 298.346 2.568 20 30 CFEDHM C=CCN(Cc1cccs1)C(=O)c1csc(=O)[n-]1 ZINC000471650529 331514153 /nfs/dbraw/zinc/51/41/53/331514153.db2.gz UXFHUEHIYWZBCQ-UHFFFAOYSA-N -1 3 280.374 2.739 20 30 CFEDHM C#CCN(CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000490865499 332121512 /nfs/dbraw/zinc/12/15/12/332121512.db2.gz CHXWDXUWOGFAOM-UHFFFAOYSA-N -1 3 281.315 2.537 20 30 CFEDHM C#C[C@H](C)N(C)Cc1cc([O-])ccc1Br ZINC000491617977 332244507 /nfs/dbraw/zinc/24/45/07/332244507.db2.gz BUMRHMPAZDOBID-VIFPVBQESA-N -1 3 268.154 2.608 20 30 CFEDHM C#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000491709918 332301947 /nfs/dbraw/zinc/30/19/47/332301947.db2.gz XOQZLURUYMWVCU-OAHLLOKOSA-N -1 3 269.275 2.636 20 30 CFEDHM C#C[C@@H](CC)/N=C/c1cc(Br)ccc1[O-] ZINC000491739069 332318658 /nfs/dbraw/zinc/31/86/58/332318658.db2.gz SBMKLISQCSDVAQ-KYJZABPNSA-N -1 3 266.138 2.985 20 30 CFEDHM C#C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(C)(C)C ZINC000491761866 332331970 /nfs/dbraw/zinc/33/19/70/332331970.db2.gz XQXFEUPHQRIQNL-CYBMUJFWSA-N -1 3 279.767 2.752 20 30 CFEDHM COC(=O)N1CCC([C@H](C)/N=C\c2ccccc2[O-])CC1 ZINC000492532396 332401837 /nfs/dbraw/zinc/40/18/37/332401837.db2.gz 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CFEDHM CCC[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736425664 574050988 /nfs/dbraw/zinc/05/09/88/574050988.db2.gz WPCSIHUJHXMGLN-JTQLQIEISA-N -1 3 298.350 2.503 20 30 CFEDHM C[C@H](NN=C1C(=O)[N-]c2c1cccc2F)c1ccccc1 ZINC000753960437 574059499 /nfs/dbraw/zinc/05/94/99/574059499.db2.gz SAFUHJCAQWMCMG-JTQLQIEISA-N -1 3 283.306 2.833 20 30 CFEDHM COC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C1CC1 ZINC000753565330 574060369 /nfs/dbraw/zinc/06/03/69/574060369.db2.gz ZNQUULNHDXLGMW-VJMCZWTHSA-N -1 3 281.739 2.806 20 30 CFEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)C1CCCCC1 ZINC000727685696 574060421 /nfs/dbraw/zinc/06/04/21/574060421.db2.gz XEYKVELYVRUXJI-DISPHTKASA-N -1 3 277.364 2.761 20 30 CFEDHM Cc1cc(N=NC(C)c2ccc(F)cc2[O-])nc(C)n1 ZINC000727778406 574065007 /nfs/dbraw/zinc/06/50/07/574065007.db2.gz GXUUJGAQYADUTA-UHFFFAOYSA-N -1 3 274.299 2.774 20 30 CFEDHM CC(=NNc1cc(C)nc(C)n1)c1ccc(F)cc1[O-] ZINC000727778406 574065011 /nfs/dbraw/zinc/06/50/11/574065011.db2.gz GXUUJGAQYADUTA-UHFFFAOYSA-N -1 3 274.299 2.774 20 30 CFEDHM C[C@@H]1Oc2ccc(N=Cc3cccc([O-])c3O)cc2NC1=O ZINC000730550580 574087686 /nfs/dbraw/zinc/08/76/86/574087686.db2.gz YOZQFSAYLNQOHI-VIFPVBQESA-N -1 3 298.298 2.568 20 30 CFEDHM C#Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cn1 ZINC000754499698 574098435 /nfs/dbraw/zinc/09/84/35/574098435.db2.gz RKHIHFNGBNTYAS-UHFFFAOYSA-N -1 3 272.691 2.674 20 30 CFEDHM CCCCCCCC[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000754808173 574120335 /nfs/dbraw/zinc/12/03/35/574120335.db2.gz IOURYQUGXVLPIK-UHFFFAOYSA-N -1 3 287.429 2.542 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCc3ccccc32)c1[O-] ZINC000731938848 574136675 /nfs/dbraw/zinc/13/66/75/574136675.db2.gz WFZAAXHXRJNMNF-FVOVHSBVSA-N -1 3 296.370 2.737 20 30 CFEDHM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H](C#N)CC(C)C)cc1 ZINC000755444551 574162756 /nfs/dbraw/zinc/16/27/56/574162756.db2.gz WMXWGPDJFWJJIY-XVJNWHFHSA-N -1 3 292.404 2.823 20 30 CFEDHM CCOc1ccc(C=Nc2ccc3c(c2)C(=O)NC3)c([O-])c1 ZINC000746682978 574162888 /nfs/dbraw/zinc/16/28/88/574162888.db2.gz 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YNLKZFIHJXGFIG-UHFFFAOYSA-N -1 3 283.118 2.935 20 30 CFEDHM Cc1nc(Cl)cc(N=NCc2ccc([O-])c(F)c2)n1 ZINC000755746160 574183793 /nfs/dbraw/zinc/18/37/93/574183793.db2.gz WIUSBPPTXXWQDH-UHFFFAOYSA-N -1 3 280.690 2.729 20 30 CFEDHM CC(=NN=Cc1c([O-])cccc1Cl)c1cnccn1 ZINC000755754797 574184872 /nfs/dbraw/zinc/18/48/72/574184872.db2.gz SHNCFMGWRWOVQZ-UHFFFAOYSA-N -1 3 274.711 2.679 20 30 CFEDHM CCOc1ccc(/C=N/Cc2cccc(F)n2)c([O-])c1 ZINC000747692174 574206892 /nfs/dbraw/zinc/20/68/92/574206892.db2.gz ZWHVJOBTCKOLKV-RQZCQDPDSA-N -1 3 274.295 2.944 20 30 CFEDHM CC(Cc1ccsc1)N=Nc1cn[n-]c(=O)c1Cl ZINC000729635506 574224929 /nfs/dbraw/zinc/22/49/29/574224929.db2.gz XBXXRWFMBOYHAY-UHFFFAOYSA-N -1 3 282.756 2.928 20 30 CFEDHM Cc1ccc(N=NC(C)c2cc(Cl)ccc2[O-])nn1 ZINC000729935567 574238457 /nfs/dbraw/zinc/23/84/57/574238457.db2.gz FARIEUWAYRHJNF-UHFFFAOYSA-N -1 3 276.727 2.980 20 30 CFEDHM CC(N=Nc1ccc(Cl)nn1)c1ccc([O-])cc1F ZINC000729931634 574238484 /nfs/dbraw/zinc/23/84/84/574238484.db2.gz POXSGXQWMYUVHH-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM CC(=[NH+][N-]c1cnccn1)c1ccc(N2CCCC2)cc1[O-] ZINC000748251246 574243483 /nfs/dbraw/zinc/24/34/83/574243483.db2.gz UPNLAZXXDXGBDT-UHFFFAOYSA-N -1 3 297.362 2.619 20 30 CFEDHM C#CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000740751127 574265556 /nfs/dbraw/zinc/26/55/56/574265556.db2.gz UYSWMTGPFVQEKO-UHFFFAOYSA-N -1 3 267.284 2.548 20 30 CFEDHM [O-]c1cc(O)ccc1C=NNCc1cccc(Cl)c1 ZINC000756826952 574266261 /nfs/dbraw/zinc/26/62/61/574266261.db2.gz GUKYPNFDKVKOAO-UHFFFAOYSA-N -1 3 276.723 2.875 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C2CCC(C)(C)CC2)c1[O-] ZINC000741466603 574291976 /nfs/dbraw/zinc/29/19/76/574291976.db2.gz XPEUWZMZCOFTFX-GIJQJNRQSA-N -1 3 276.380 2.976 20 30 CFEDHM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000749611795 574302341 /nfs/dbraw/zinc/30/23/41/574302341.db2.gz FYBDDGJNIJXGRD-GFCCVEGCSA-N -1 3 252.264 2.587 20 30 CFEDHM C[C@H]1CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448179 574305891 /nfs/dbraw/zinc/30/58/91/574305891.db2.gz CKJXAEVNCHUXOK-ZDUSSCGKSA-N -1 3 294.420 2.715 20 30 CFEDHM N#CCCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737688744 574312600 /nfs/dbraw/zinc/31/26/00/574312600.db2.gz XPNUZBCCOMWPRQ-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM N#CCCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737688744 574312602 /nfs/dbraw/zinc/31/26/02/574312602.db2.gz XPNUZBCCOMWPRQ-UHFFFAOYSA-N -1 3 276.731 2.626 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206627 574316349 /nfs/dbraw/zinc/31/63/49/574316349.db2.gz MGUDXPMEMUJDTC-VBROQKIQSA-N -1 3 286.331 2.699 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000735206501 574316523 /nfs/dbraw/zinc/31/65/23/574316523.db2.gz LDHBVHRAMUAOJL-LRAPTIAOSA-N -1 3 286.331 2.699 20 30 CFEDHM [O-]c1cccc(Cl)c1C=NNc1ccncc1Cl ZINC000755767655 574333458 /nfs/dbraw/zinc/33/34/58/574333458.db2.gz ZETZBPXVEMMPMF-UHFFFAOYSA-N -1 3 282.130 2.962 20 30 CFEDHM CCOc1ccc(/C=N\[C@@H]2CCSC2)c([O-])c1 ZINC000743045031 574352624 /nfs/dbraw/zinc/35/26/24/574352624.db2.gz WTYKZUIEVWQVRF-ZEVOCZHWSA-N -1 3 251.351 2.715 20 30 CFEDHM N#CCc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000743333897 574358650 /nfs/dbraw/zinc/35/86/50/574358650.db2.gz FBDUEPMPXTVUHR-UHFFFAOYSA-N -1 3 252.273 2.914 20 30 CFEDHM COc1ccc(NN=Cc2ccc(OC)cc2[O-])cc1 ZINC000750923185 574363343 /nfs/dbraw/zinc/36/33/43/574363343.db2.gz FLKPLOHGSVBWAY-UHFFFAOYSA-N -1 3 272.304 2.855 20 30 CFEDHM C[C@@H](NC(=S)NN=Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000751528414 574378368 /nfs/dbraw/zinc/37/83/68/574378368.db2.gz CLOHIWYKWFVYQB-MRVPVSSYSA-N -1 3 297.811 2.642 20 30 CFEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc([O-])cc1F ZINC000751528926 574378419 /nfs/dbraw/zinc/37/84/19/574378419.db2.gz LKCYFOVTKMPMBL-MRVPVSSYSA-N -1 3 295.383 2.518 20 30 CFEDHM CCCCC[C@@H](/N=C\c1c([O-])cccc1OC)C(=O)OC ZINC000751891386 574384397 /nfs/dbraw/zinc/38/43/97/574384397.db2.gz ZMEPZZOQBYSYIS-GPLLRDDGSA-N -1 3 293.363 2.942 20 30 CFEDHM CC(=Nn1cc(Br)cn1)c1ccccc1[O-] ZINC000752743549 574394417 /nfs/dbraw/zinc/39/44/17/574394417.db2.gz VLBDMEHPCXIHIZ-UHFFFAOYSA-N -1 3 280.125 2.624 20 30 CFEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C1CCC1 ZINC000900094163 620637090 /nfs/dbraw/zinc/63/70/90/620637090.db2.gz HWVBPMQIYJWQNR-SNVBAGLBSA-N -1 3 251.301 2.980 20 30 CFEDHM O=C([C@@H]1CCN1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000900095376 620637268 /nfs/dbraw/zinc/63/72/68/620637268.db2.gz AVTFSNJNILCZIS-HNNXBMFYSA-N -1 3 292.354 2.560 20 30 CFEDHM C=CCC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894125 607779743 /nfs/dbraw/zinc/77/97/43/607779743.db2.gz IAWIHJYBEWTXAV-CQSZACIVSA-N -1 3 298.346 2.768 20 30 CFEDHM C=CCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894125 607779744 /nfs/dbraw/zinc/77/97/44/607779744.db2.gz IAWIHJYBEWTXAV-CQSZACIVSA-N -1 3 298.346 2.768 20 30 CFEDHM CN(Cc1cccc(C#N)c1)Cc1cccc(C(=O)[O-])c1 ZINC000061953792 598210554 /nfs/dbraw/zinc/21/05/54/598210554.db2.gz CRVBTZYWOLVEBT-UHFFFAOYSA-N -1 3 280.327 2.888 20 30 CFEDHM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832933408 601298024 /nfs/dbraw/zinc/29/80/24/601298024.db2.gz AQIWGSSVKNNBHG-INIZCTEOSA-N -1 3 280.327 2.782 20 30 CFEDHM N#Cc1cccc([C@H](NCc2ccsc2)C(=O)[O-])c1 ZINC000833074916 601301249 /nfs/dbraw/zinc/30/12/49/601301249.db2.gz GMYRTPBVUXSSDS-ZDUSSCGKSA-N -1 3 272.329 2.535 20 30 CFEDHM C=C(C)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825642339 601898157 /nfs/dbraw/zinc/89/81/57/601898157.db2.gz PTDYUOCGGSNJLZ-LBPRGKRZSA-N -1 3 273.254 2.738 20 30 CFEDHM CC(C)CN(CCC(=O)[O-])Cc1cc(F)ccc1C#N ZINC000826876075 602325930 /nfs/dbraw/zinc/32/59/30/602325930.db2.gz QEARMKVFDKXDOG-UHFFFAOYSA-N -1 3 278.327 2.630 20 30 CFEDHM CCC(CC)CN(CCC#N)C[C@H]1CCN(C(=O)[O-])C1 ZINC000826571689 603568920 /nfs/dbraw/zinc/56/89/20/603568920.db2.gz LLFJIYKKZUGKHH-CQSZACIVSA-N -1 3 281.400 2.638 20 30 CFEDHM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C(C)(C)C1 ZINC000833629168 604610863 /nfs/dbraw/zinc/61/08/63/604610863.db2.gz FWWVXJBJLWNFBF-LLVKDONJSA-N -1 3 272.348 2.877 20 30 CFEDHM CCCCCCCC[C@H](N)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000900455076 620678515 /nfs/dbraw/zinc/67/85/15/620678515.db2.gz XNMUXLJQKPXYHP-ZDUSSCGKSA-N -1 3 298.427 2.578 20 30 CFEDHM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1C ZINC000833615921 605213200 /nfs/dbraw/zinc/21/32/00/605213200.db2.gz NALOJRSRGPCDIH-NWDGAFQWSA-N -1 3 272.348 2.734 20 30 CFEDHM CC(C)N(CCCNCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000824346982 605514749 /nfs/dbraw/zinc/51/47/49/605514749.db2.gz RAZYTFLWVLBKPN-UHFFFAOYSA-N -1 3 293.342 2.565 20 30 CFEDHM CC(C)(C#N)CCCNc1cccc(-c2nnn[n-]2)c1 ZINC000819891827 606719500 /nfs/dbraw/zinc/71/95/00/606719500.db2.gz HOPUBWHJWPQBSY-UHFFFAOYSA-N -1 3 270.340 2.609 20 30 CFEDHM CC(C)(C#N)CCCNc1cccc(-c2nn[n-]n2)c1 ZINC000819891827 606719502 /nfs/dbraw/zinc/71/95/02/606719502.db2.gz HOPUBWHJWPQBSY-UHFFFAOYSA-N -1 3 270.340 2.609 20 30 CFEDHM N#CCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822806171 606852184 /nfs/dbraw/zinc/85/21/84/606852184.db2.gz KGQYEMXJRZJZPS-UHFFFAOYSA-N -1 3 279.756 2.916 20 30 CFEDHM N#CCCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822806171 606852186 /nfs/dbraw/zinc/85/21/86/606852186.db2.gz KGQYEMXJRZJZPS-UHFFFAOYSA-N -1 3 279.756 2.916 20 30 CFEDHM C#CCCCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819693104 606947550 /nfs/dbraw/zinc/94/75/50/606947550.db2.gz NLLNRMYXONVSQU-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C#CCCCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819693104 606947551 /nfs/dbraw/zinc/94/75/51/606947551.db2.gz NLLNRMYXONVSQU-UHFFFAOYSA-N -1 3 275.743 2.736 20 30 CFEDHM C=CCCCNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819739762 607124672 /nfs/dbraw/zinc/12/46/72/607124672.db2.gz GKLMJLHOXOIBJZ-UHFFFAOYSA-N -1 3 263.732 2.898 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)o1 ZINC000826281298 607884248 /nfs/dbraw/zinc/88/42/48/607884248.db2.gz LUCAAJGGVGRHPF-BQYQJAHWSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)o1 ZINC000826281298 607884249 /nfs/dbraw/zinc/88/42/49/607884249.db2.gz LUCAAJGGVGRHPF-BQYQJAHWSA-N -1 3 280.287 2.664 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000826402516 607885133 /nfs/dbraw/zinc/88/51/33/607885133.db2.gz WECHYMJROFEGQY-AATRIKPKSA-N -1 3 282.328 2.824 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000826402516 607885134 /nfs/dbraw/zinc/88/51/34/607885134.db2.gz WECHYMJROFEGQY-AATRIKPKSA-N -1 3 282.328 2.824 20 30 CFEDHM C=C(CC)CSCCOc1ccccc1-c1nnn[n-]1 ZINC000823883529 608299112 /nfs/dbraw/zinc/29/91/12/608299112.db2.gz SNERMKSSWXLPKW-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM C=C(CC)CSCCOc1ccccc1-c1nn[n-]n1 ZINC000823883529 608299114 /nfs/dbraw/zinc/29/91/14/608299114.db2.gz SNERMKSSWXLPKW-UHFFFAOYSA-N -1 3 290.392 2.945 20 30 CFEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000826266213 608473718 /nfs/dbraw/zinc/47/37/18/608473718.db2.gz GYCSTQMTRCEIDE-UHFFFAOYSA-N -1 3 282.307 2.523 20 30 CFEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000826266213 608473720 /nfs/dbraw/zinc/47/37/20/608473720.db2.gz GYCSTQMTRCEIDE-UHFFFAOYSA-N -1 3 282.307 2.523 20 30 CFEDHM C#Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000823861843 608480437 /nfs/dbraw/zinc/48/04/37/608480437.db2.gz RUNBQIMDDGOXPB-UHFFFAOYSA-N -1 3 293.305 2.599 20 30 CFEDHM C#Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000823861843 608480439 /nfs/dbraw/zinc/48/04/39/608480439.db2.gz RUNBQIMDDGOXPB-UHFFFAOYSA-N -1 3 293.305 2.599 20 30 CFEDHM C#CCOc1ccccc1NC(=O)c1cc(C)ccc1[O-] ZINC000187194972 617677566 /nfs/dbraw/zinc/67/75/66/617677566.db2.gz MKIGKOXZHDOTBV-UHFFFAOYSA-N -1 3 281.311 2.965 20 30 CFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cccs1 ZINC000255043338 617784294 /nfs/dbraw/zinc/78/42/94/617784294.db2.gz NHMHHABUKOEQMQ-DGMVEKRQSA-N -1 3 297.339 2.504 20 30 CFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cccs1 ZINC000255043339 617784457 /nfs/dbraw/zinc/78/44/57/617784457.db2.gz NHMHHABUKOEQMQ-ZHRWSRJISA-N -1 3 297.339 2.504 20 30 CFEDHM CC(=NO[C@@H]1CCCCO1)c1ccc(F)c([O-])c1 ZINC000901204994 620764515 /nfs/dbraw/zinc/76/45/15/620764515.db2.gz ICFDLGZXUXRTMR-CYBMUJFWSA-N -1 3 253.273 2.799 20 30 CFEDHM C=C[C@H](C)ON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000844624979 617984382 /nfs/dbraw/zinc/98/43/82/617984382.db2.gz PFBFTMDCJJIJGN-QMMMGPOBSA-N -1 3 255.701 2.979 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(SCC)cc1 ZINC000846547323 618112136 /nfs/dbraw/zinc/11/21/36/618112136.db2.gz KBFFBHAJDXJQRV-NSHDSACASA-N -1 3 265.378 2.963 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000846551353 618114005 /nfs/dbraw/zinc/11/40/05/618114005.db2.gz SAOSHWPBXDIIGX-GHMZBOCLSA-N -1 3 251.301 2.942 20 30 CFEDHM CC(=NN[C@@H]1CCCC[C@H]1O)c1cc(Cl)ccc1[O-] ZINC000901342244 620789236 /nfs/dbraw/zinc/78/92/36/620789236.db2.gz AQIZSYPWWXYPQO-TZMCWYRMSA-N -1 3 282.771 2.663 20 30 CFEDHM C#CCN(Cc1ccc(F)cc1)Cc1nc(C)ccc1[O-] ZINC000092541538 618268256 /nfs/dbraw/zinc/26/82/56/618268256.db2.gz FJONSNJBYHCSCR-UHFFFAOYSA-N -1 3 284.334 2.870 20 30 CFEDHM CCCCOC(=O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255770306 618289851 /nfs/dbraw/zinc/28/98/51/618289851.db2.gz JWFDDGAPSDGKDE-NVNXTCNLSA-N -1 3 269.728 2.808 20 30 CFEDHM CC(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1C ZINC000901372231 620797372 /nfs/dbraw/zinc/79/73/72/620797372.db2.gz AFPLAJSDZYMNDE-UHFFFAOYSA-N -1 3 291.326 2.714 20 30 CFEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372067 620797541 /nfs/dbraw/zinc/79/75/41/620797541.db2.gz PAYXDRYMTKHISJ-FBKDDSFISA-N -1 3 281.327 2.603 20 30 CFEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)n1cccc1 ZINC000901374294 620798112 /nfs/dbraw/zinc/79/81/12/620798112.db2.gz HZQYQCCBCMVBJC-LBPRGKRZSA-N -1 3 276.311 2.996 20 30 CFEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1C(C)C ZINC000901373425 620798263 /nfs/dbraw/zinc/79/82/63/620798263.db2.gz ZPRNRJATTBTNMZ-UHFFFAOYSA-N -1 3 291.326 2.943 20 30 CFEDHM Cc1ccn2cc(C(=O)N([O-])Cc3ccc(F)cc3)nc2c1 ZINC000901376272 620798534 /nfs/dbraw/zinc/79/85/34/620798534.db2.gz RYAIZIPSJAKSJV-UHFFFAOYSA-N -1 3 299.305 2.813 20 30 CFEDHM CC(C)SCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376192 620798554 /nfs/dbraw/zinc/79/85/54/620798554.db2.gz QNGXDJFGTIDORL-UHFFFAOYSA-N -1 3 257.330 2.685 20 30 CFEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(=O)[n-]c(C)n2)c1 ZINC000892526994 618610218 /nfs/dbraw/zinc/61/02/18/618610218.db2.gz FFJTUPQJWDNLNC-ZDUSSCGKSA-N -1 3 298.346 2.784 20 30 CFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182354580 625287252 /nfs/dbraw/zinc/28/72/52/625287252.db2.gz DNDSJRXQCWPHKW-UHFFFAOYSA-N -1 3 281.311 2.664 20 30 CFEDHM C[C@@H](CC#N)N(C)Cc1cccc(Br)c1[O-] ZINC000093090842 618978026 /nfs/dbraw/zinc/97/80/26/618978026.db2.gz MZRGXBOKXHSZIS-VIFPVBQESA-N -1 3 283.169 2.889 20 30 CFEDHM N#C[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000928217033 619322863 /nfs/dbraw/zinc/32/28/63/619322863.db2.gz IUGQEIVZWUYMJV-SNVBAGLBSA-N -1 3 286.356 2.983 20 30 CFEDHM Cc1csc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000840708693 619880876 /nfs/dbraw/zinc/88/08/76/619880876.db2.gz YIUMRSVRYUKQKY-UUASQNMZSA-N -1 3 276.361 2.577 20 30 CFEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])C[C@@H]2CCCCN12 ZINC000840710464 619912485 /nfs/dbraw/zinc/91/24/85/619912485.db2.gz QMZMQKCXTFEESJ-PPCKYFQJSA-N -1 3 292.766 2.618 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[C@H]2C2CC2)c1[O-] ZINC000840712202 619931452 /nfs/dbraw/zinc/93/14/52/619931452.db2.gz XJXGQGTUGFDJDT-AUULSLHKSA-N -1 3 288.391 2.833 20 30 CFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000103033801 620135861 /nfs/dbraw/zinc/13/58/61/620135861.db2.gz RSAKNSXJNHJTDO-UHFFFAOYSA-N -1 3 265.312 2.959 20 30 CFEDHM C=CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096153 620337594 /nfs/dbraw/zinc/33/75/94/620337594.db2.gz PVFVJESLLCKQSA-UHFFFAOYSA-N -1 3 279.340 2.660 20 30 CFEDHM C=CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096153 620337597 /nfs/dbraw/zinc/33/75/97/620337597.db2.gz PVFVJESLLCKQSA-UHFFFAOYSA-N -1 3 279.340 2.660 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCSC(C)(C)C2)c1[O-] ZINC000899232498 620534271 /nfs/dbraw/zinc/53/42/71/620534271.db2.gz OVAMXPJHRNWEQM-VQGSWFTOSA-N -1 3 294.420 2.681 20 30 CFEDHM C#CCOc1cccc(Cl)c1CN[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000901455210 620828082 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CFEDHM CC#CCCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000760291582 626730878 /nfs/dbraw/zinc/73/08/78/626730878.db2.gz GSRXOYGUZDBWGS-UHFFFAOYSA-N -1 3 258.277 2.548 20 30 CFEDHM CC#CCCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000760291582 626730881 /nfs/dbraw/zinc/73/08/81/626730881.db2.gz GSRXOYGUZDBWGS-UHFFFAOYSA-N -1 3 258.277 2.548 20 30 CFEDHM N#CC(=C([O-])C=CC1CCCCC1)c1ccncn1 ZINC000760356097 626739321 /nfs/dbraw/zinc/73/93/21/626739321.db2.gz FHWBVPMQZRCNHS-KTRBRXNASA-N -1 3 255.321 2.789 20 30 CFEDHM NC(=O)[C@@H]1CCC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000764412816 627058777 /nfs/dbraw/zinc/05/87/77/627058777.db2.gz FHHOLURFAHQSGL-CAHKYLNKSA-N -1 3 280.755 2.509 20 30 CFEDHM Cc1cc(/C=C2\c3ccccc3C(=O)[N-]C2=O)ccc1C#N ZINC000766491889 627206139 /nfs/dbraw/zinc/20/61/39/627206139.db2.gz QIDOAZYNPPGATQ-CXUHLZMHSA-N -1 3 288.306 2.677 20 30 CFEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cncc([O-])c1 ZINC000768029741 627304455 /nfs/dbraw/zinc/30/44/55/627304455.db2.gz GKEBJXSRJJXEAK-UHFFFAOYSA-N -1 3 296.326 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288.690 2.669 20 30 CFEDHM CCOc1cc(C=NNc2ccncc2)cc(Cl)c1[O-] ZINC000779810033 628409367 /nfs/dbraw/zinc/40/93/67/628409367.db2.gz XYSXPRJVOUSQCE-UHFFFAOYSA-N -1 3 291.738 2.707 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cncnc1 ZINC000781106706 628522130 /nfs/dbraw/zinc/52/21/30/628522130.db2.gz OJTMVDGVOQNGIF-HDPPJLHVSA-N -1 3 270.263 2.705 20 30 CFEDHM CCCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000782475158 628640734 /nfs/dbraw/zinc/64/07/34/628640734.db2.gz UELIHGYJHHPHEL-UHFFFAOYSA-N -1 3 259.371 2.918 20 30 CFEDHM C[C@@H]1C[C@@H](C)CCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000783831857 628748658 /nfs/dbraw/zinc/74/86/58/628748658.db2.gz BNDIZGXESJAWOF-QWHCGFSZSA-N -1 3 294.420 2.918 20 30 CFEDHM Cc1noc(C2CC2)c1C([O-])=C(C#N)c1ccccn1 ZINC000784834959 628844569 /nfs/dbraw/zinc/84/45/69/628844569.db2.gz WRQNVRDRLWWSFR-NSHDSACASA-N -1 3 267.288 2.746 20 30 CFEDHM N#Cc1cccc(C(=O)COC(=O)c2cc3occc3[n-]2)c1 ZINC000786029644 628930627 /nfs/dbraw/zinc/93/06/27/628930627.db2.gz 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ZINC000864348355 637948774 /nfs/dbraw/zinc/94/87/74/637948774.db2.gz JVGUBNWVTOSVSR-UBKPWBPPSA-N -1 3 286.322 2.688 20 30 CFEDHM Cc1csc(CN[C@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866224232 638773567 /nfs/dbraw/zinc/77/35/67/638773567.db2.gz SBUVROMHUGLNTA-SNVBAGLBSA-N -1 3 273.361 2.880 20 30 CFEDHM Cc1cnc(CN[C@@H](C)c2cccc(C#N)c2[O-])s1 ZINC000866273905 638786723 /nfs/dbraw/zinc/78/67/23/638786723.db2.gz DLFNRVDWRQAFKZ-JTQLQIEISA-N -1 3 273.361 2.880 20 30 CFEDHM C[C@H](N[C@H](CCO)c1ccco1)c1cccc(C#N)c1[O-] ZINC000866340771 638799429 /nfs/dbraw/zinc/79/94/29/638799429.db2.gz LZJTUSQYZPVUGS-SMDDNHRTSA-N -1 3 286.331 2.631 20 30 CFEDHM CCc1nc(C)c(CN[C@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866362302 638804512 /nfs/dbraw/zinc/80/45/12/638804512.db2.gz DIINKEXTNYMPMV-SNVBAGLBSA-N -1 3 285.347 2.974 20 30 CFEDHM COc1ccncc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866365329 638805476 /nfs/dbraw/zinc/80/54/76/638805476.db2.gz VBXCXTTUFWZQBV-LLVKDONJSA-N -1 3 283.331 2.518 20 30 CFEDHM CCn1ccnc1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866366985 638806056 /nfs/dbraw/zinc/80/60/56/638806056.db2.gz DYJIFOMDQQDWCO-NWDGAFQWSA-N -1 3 284.363 2.892 20 30 CFEDHM CC1(C)Cc2ccc(C([O-])=C(C#N)c3ccncn3)cc2O1 ZINC000870286835 639581314 /nfs/dbraw/zinc/58/13/14/639581314.db2.gz DKZJVSZORKKXNC-CYBMUJFWSA-N -1 3 293.326 2.680 20 30 CFEDHM C=C1CC(C)(C(=O)[N-]OCCCC(F)(F)F)C1 ZINC000871216882 641253984 /nfs/dbraw/zinc/25/39/84/641253984.db2.gz CUDKCJJNOHYWID-UHFFFAOYSA-N -1 3 251.248 2.733 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CCC[C@H]2C=CCC2)c1[O-] ZINC000871596751 641361418 /nfs/dbraw/zinc/36/14/18/641361418.db2.gz CLMUQTDXCXOZMJ-VZWMTCDZSA-N -1 3 274.364 2.753 20 30 CFEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000193529374 650666238 /nfs/dbraw/zinc/66/62/38/650666238.db2.gz UEXLHHUQPCJUTG-LLVKDONJSA-N -1 3 299.355 2.667 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877622223 643408958 /nfs/dbraw/zinc/40/89/58/643408958.db2.gz IVOOLEXAKHPTBI-JTQLQIEISA-N -1 3 266.291 2.796 20 30 CFEDHM C=CCN(Cc1nnc(-c2ccccc2[O-])o1)C1CC1 ZINC000878342641 643851900 /nfs/dbraw/zinc/85/19/00/643851900.db2.gz ZECCMXUULRCRDP-UHFFFAOYSA-N -1 3 271.320 2.593 20 30 CFEDHM CC1(C#N)CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878389390 643868871 /nfs/dbraw/zinc/86/88/71/643868871.db2.gz GXGLBSIUTSELOG-UHFFFAOYSA-N -1 3 298.346 2.568 20 30 CFEDHM C=CC(C)(C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000879469419 644281484 /nfs/dbraw/zinc/28/14/84/644281484.db2.gz CQHPEPPGERKBJN-UHFFFAOYSA-N -1 3 251.301 2.976 20 30 CFEDHM C=C(Cl)CNCc1cccc(Br)c1[O-] ZINC000131654794 645778528 /nfs/dbraw/zinc/77/85/28/645778528.db2.gz IENXAEIUDKXPPT-UHFFFAOYSA-N -1 3 276.561 2.997 20 30 CFEDHM COC[C@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000887271092 647257303 /nfs/dbraw/zinc/25/73/03/647257303.db2.gz ZTUWSJGSBFJNOS-ZSRUHPPJSA-N -1 3 298.180 2.999 20 30 CFEDHM Cc1cc(C)c(C/N=C/c2cc(Cl)ccc2[O-])c(=O)[nH]1 ZINC000005118287 647844419 /nfs/dbraw/zinc/84/44/19/647844419.db2.gz RSKUHSWQUQRFQE-REZTVBANSA-N -1 3 290.750 2.970 20 30 CFEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000932754637 649640811 /nfs/dbraw/zinc/64/08/11/649640811.db2.gz SCLXCPFDRTVPAJ-UHFFFAOYSA-N -1 3 286.709 2.663 20 30 CFEDHM C#Cc1cnc(Nc2cccc(Cl)c2[O-])c(C#C)n1 ZINC001210218092 770239773 /nfs/dbraw/zinc/23/97/73/770239773.db2.gz DFPMUMLBIPJXBE-UHFFFAOYSA-N -1 3 269.691 2.542 20 30 CFEDHM C[C@@H]1CC(=O)C=C(Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001210769980 770361698 /nfs/dbraw/zinc/36/16/98/770361698.db2.gz XJIGCGCXQRVRCL-NSHDSACASA-N -1 3 283.331 2.873 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2cccnc2)[n-]1 ZINC001225467434 775466839 /nfs/dbraw/zinc/46/68/39/775466839.db2.gz QGZTUYURGULBKB-SNVBAGLBSA-N -1 3 255.277 2.502 20 30 CFEDHM CCCC(=O)[C@H](CCC)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225470630 775468572 /nfs/dbraw/zinc/46/85/72/775468572.db2.gz XPSXPVXALHDLPM-AWEZNQCLSA-N -1 3 276.336 2.884 20 30 CFEDHM Cc1cnc(=S)[n-]c1O[C@@H](C)CC(C)(C)S ZINC001225741574 775580391 /nfs/dbraw/zinc/58/03/91/775580391.db2.gz XVAIEMXYVJXGBZ-QMMMGPOBSA-N -1 3 258.412 2.940 20 30 CFEDHM C#C[C@H](CCC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852448 775613564 /nfs/dbraw/zinc/61/35/64/775613564.db2.gz JWRMFZRXZLRWPD-SSDOTTSWSA-N -1 3 276.283 2.965 20 30 CFEDHM C#C[C@@H](CCC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225852449 775614279 /nfs/dbraw/zinc/61/42/79/775614279.db2.gz JWRMFZRXZLRWPD-ZETCQYMHSA-N -1 3 276.283 2.965 20 30 CFEDHM COC(=O)[C@H]1CC[C@H](Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226115181 775703761 /nfs/dbraw/zinc/70/37/61/775703761.db2.gz XPUDKFNZGHJORP-ZAPZDABDSA-N -1 3 277.320 2.605 20 30 CFEDHM CCOC(=O)[C@H]1CCC[C@@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226113784 775703958 /nfs/dbraw/zinc/70/39/58/775703958.db2.gz AFIXUWAOCHVGHA-UDKOXHGFSA-N -1 3 277.320 2.605 20 30 CFEDHM C=C(C)C(=O)OC[C@H](C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226119887 775707060 /nfs/dbraw/zinc/70/70/60/775707060.db2.gz PHTDATAPAQDFLF-VIFPVBQESA-N -1 3 294.376 2.529 20 30 CFEDHM CC[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226253478 775756609 /nfs/dbraw/zinc/75/66/09/775756609.db2.gz JFFOXCGPDRWGPR-BVTUPMQUSA-N -1 3 257.293 2.815 20 30 CFEDHM CC(C)C[C@H](Oc1nccc(/C=N/[O-])n1)C(C)C ZINC001226257306 775759665 /nfs/dbraw/zinc/75/96/65/775759665.db2.gz ZDEUUGDMVKXQHU-AAWHYMEISA-N -1 3 251.330 2.734 20 30 CFEDHM C#C[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533049 775864089 /nfs/dbraw/zinc/86/40/89/775864089.db2.gz XTJYKDAAHLNYIJ-SNVBAGLBSA-N -1 3 258.273 2.598 20 30 CFEDHM C#C[C@H](CCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598903 775886449 /nfs/dbraw/zinc/88/64/49/775886449.db2.gz HNMCPYMVXGRJBG-LLVKDONJSA-N -1 3 258.273 2.679 20 30 CFEDHM CC(C)(C)C(=O)OC1CC(Oc2cc(C#N)ccc2[O-])C1 ZINC001227350163 776182768 /nfs/dbraw/zinc/18/27/68/776182768.db2.gz LEIGTKYHQXYWRA-UHFFFAOYSA-N -1 3 289.331 2.763 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3cccnc32)c1 ZINC001227350728 776183516 /nfs/dbraw/zinc/18/35/16/776183516.db2.gz PLSOFKPIOJUXHB-CYBMUJFWSA-N -1 3 252.273 2.725 20 30 CFEDHM N#Cc1ccc([O-])c(OC[C@H]2COc3cscc3O2)c1 ZINC001227351726 776184711 /nfs/dbraw/zinc/18/47/11/776184711.db2.gz YBTJVRLYMXWLFS-JTQLQIEISA-N -1 3 289.312 2.544 20 30 CFEDHM C=C[C@H](CCCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616793 776245925 /nfs/dbraw/zinc/24/59/25/776245925.db2.gz WAIPJNLSKITJQE-MRVPVSSYSA-N -1 3 264.354 2.765 20 30 CFEDHM N#C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227693794 776260723 /nfs/dbraw/zinc/26/07/23/776260723.db2.gz XQHPXVMYCAKPGH-NSHDSACASA-N -1 3 295.258 2.510 20 30 CFEDHM C=Cc1c[n-]c(=O)nc1O[C@H](C)CC(C)(C)S ZINC001227716743 776270095 /nfs/dbraw/zinc/27/00/95/776270095.db2.gz AMNNKOFTGGKXII-MRVPVSSYSA-N -1 3 254.355 2.691 20 30 CFEDHM C#C[C@H](CCCCC)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227820322 776299455 /nfs/dbraw/zinc/29/94/55/776299455.db2.gz RMMQLBDGAZVEIH-LLVKDONJSA-N -1 3 277.320 2.535 20 30 CFEDHM N#CC[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccccc1 ZINC001228007004 776360384 /nfs/dbraw/zinc/36/03/84/776360384.db2.gz HIQCOUGUPBRPLP-ZDUSSCGKSA-N -1 3 292.298 2.764 20 30 CFEDHM C#CC[C@@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621490 776542142 /nfs/dbraw/zinc/54/21/42/776542142.db2.gz APOSRIDSPZBJIY-LLVKDONJSA-N -1 3 272.300 2.988 20 30 CFEDHM CCC#C[C@@H](C)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228673974 776562489 /nfs/dbraw/zinc/56/24/89/776562489.db2.gz HXFIXOXAWLMBKG-SNVBAGLBSA-N -1 3 273.292 2.960 20 30 CFEDHM CCC#C[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673974 776562494 /nfs/dbraw/zinc/56/24/94/776562494.db2.gz HXFIXOXAWLMBKG-SNVBAGLBSA-N -1 3 273.292 2.960 20 30 CFEDHM Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)cc1-c1nnn[n-]1 ZINC001167845474 776624764 /nfs/dbraw/zinc/62/47/64/776624764.db2.gz LIXOYTIAPMAZFP-HAQNSBGRSA-N -1 3 282.351 2.669 20 30 CFEDHM Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)cc1-c1nn[n-]n1 ZINC001167845474 776624770 /nfs/dbraw/zinc/62/47/70/776624770.db2.gz LIXOYTIAPMAZFP-HAQNSBGRSA-N -1 3 282.351 2.669 20 30 CFEDHM Cc1nc(O[C@H](C)CC(C)(C)S)c(C)c(=O)[n-]1 ZINC001229691093 776873020 /nfs/dbraw/zinc/87/30/20/776873020.db2.gz RZDKQFCJMUIDAQ-SSDOTTSWSA-N -1 3 256.371 2.665 20 30 CFEDHM Cc1nc(O[C@H](C#N)c2ccccc2F)c(C)c(=O)[n-]1 ZINC001229692884 776873554 /nfs/dbraw/zinc/87/35/54/776873554.db2.gz WAQGUCGSCKCKHW-GFCCVEGCSA-N -1 3 273.267 2.582 20 30 CFEDHM C=CC[C@H](CCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229955453 776924197 /nfs/dbraw/zinc/92/41/97/776924197.db2.gz VWLNSXBGJYNEKV-LLVKDONJSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@H](CCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229955453 776924200 /nfs/dbraw/zinc/92/42/00/776924200.db2.gz VWLNSXBGJYNEKV-LLVKDONJSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@H](CC(C)(C)S)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792846 777065160 /nfs/dbraw/zinc/06/51/60/777065160.db2.gz UHRZVXLIXNAWKW-SSDOTTSWSA-N -1 3 286.422 2.696 20 30 CFEDHM C=CCC(CC=C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231073435 777133320 /nfs/dbraw/zinc/13/33/20/777133320.db2.gz KTYAKBJBKDGCLB-UHFFFAOYSA-N -1 3 256.309 2.766 20 30 CFEDHM C=CCC[C@H](CC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077812 777133879 /nfs/dbraw/zinc/13/38/79/777133879.db2.gz WTJDJCUQGKJDFL-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C#C[C@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)C(C)C ZINC001231086392 777137944 /nfs/dbraw/zinc/13/79/44/777137944.db2.gz DHSLIMSMIMYMNN-VIFPVBQESA-N -1 3 297.738 2.654 20 30 CFEDHM C=CC[C@H](CCC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117654 777147557 /nfs/dbraw/zinc/14/75/57/777147557.db2.gz DTGBYPLZQMETAJ-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C=CC[C@H](CCC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117654 777147560 /nfs/dbraw/zinc/14/75/60/777147560.db2.gz DTGBYPLZQMETAJ-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC001231122255 777148594 /nfs/dbraw/zinc/14/85/94/777148594.db2.gz RXINEFKHTLPYJW-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC001231122255 777148601 /nfs/dbraw/zinc/14/86/01/777148601.db2.gz RXINEFKHTLPYJW-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM Cc1cc([O-])c(CN2CCC[C@H]2C#N)cc1Cl ZINC001231869452 777359741 /nfs/dbraw/zinc/35/97/41/777359741.db2.gz RJXFPWFTZDFIDY-NSHDSACASA-N -1 3 250.729 2.842 20 30 CFEDHM O=C1C=C2CN(Cc3cccc(Cl)c3[O-])CCC2S1 ZINC001231909363 777378897 /nfs/dbraw/zinc/37/88/97/777378897.db2.gz BENRXPZKHWTFKW-GFCCVEGCSA-N -1 3 295.791 2.820 20 30 CFEDHM CCOC(=O)CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000126763053 777537104 /nfs/dbraw/zinc/53/71/04/777537104.db2.gz ZTZGOAFBTMYVSK-OQLLNIDSSA-N -1 3 269.728 2.808 20 30 CFEDHM N#CCC1CCN(Cc2cc(Cl)ncc2[O-])CC1 ZINC001233035155 777773120 /nfs/dbraw/zinc/77/31/20/777773120.db2.gz YKJUFNXVHISDBK-UHFFFAOYSA-N -1 3 265.744 2.566 20 30 CFEDHM N#CC[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334555 777893682 /nfs/dbraw/zinc/89/36/82/777893682.db2.gz LLTGOWCPBLXLAS-JTQLQIEISA-N -1 3 266.291 2.796 20 30 CFEDHM N#C[C@H]1CCCCN1Cc1c(F)ccc([O-])c1F ZINC001233396035 777934912 /nfs/dbraw/zinc/93/49/12/777934912.db2.gz FWOKSFFWJFUXLJ-SECBINFHSA-N -1 3 252.264 2.548 20 30 CFEDHM COc1ccc(CN2CCCC[C@H]2C#N)c(Cl)c1[O-] ZINC001233400433 777937758 /nfs/dbraw/zinc/93/77/58/777937758.db2.gz IPXDIZISHPFFAW-NSHDSACASA-N -1 3 280.755 2.932 20 30 CFEDHM C#CC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500424 777971276 /nfs/dbraw/zinc/97/12/76/777971276.db2.gz RZMUCNYXYKZZGO-ZETCQYMHSA-N -1 3 279.683 2.915 20 30 CFEDHM C[C@H](CS)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233507624 777973879 /nfs/dbraw/zinc/97/38/79/777973879.db2.gz ZHOLFLCGGQWUKT-RXMQYKEDSA-N -1 3 287.728 2.822 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001233801709 778082624 /nfs/dbraw/zinc/08/26/24/778082624.db2.gz CVIDQRBHDNPZNR-RSZLQGDJSA-N -1 3 259.305 2.847 20 30 CFEDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234145021 778176129 /nfs/dbraw/zinc/17/61/29/778176129.db2.gz ZQVUMJILFSJYAJ-TZMCWYRMSA-N -1 3 289.331 2.765 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1cc([O-])cc(C#N)c1 ZINC001234144708 778176145 /nfs/dbraw/zinc/17/61/45/778176145.db2.gz TWPDWMZUUVZBQZ-LLVKDONJSA-N -1 3 259.381 2.912 20 30 CFEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccn1 ZINC001234510866 778240567 /nfs/dbraw/zinc/24/05/67/778240567.db2.gz HDTGWDGQDWLGNJ-JTQLQIEISA-N -1 3 292.298 2.742 20 30 CFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3C=CCCC3)c12 ZINC001234511161 778240630 /nfs/dbraw/zinc/24/06/30/778240630.db2.gz LBJLBUGRHITTGZ-LLVKDONJSA-N -1 3 267.288 2.695 20 30 CFEDHM C#C[C@@H](CCCC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234921806 778328826 /nfs/dbraw/zinc/32/88/26/778328826.db2.gz MBKYYCIHAARSLC-JTQLQIEISA-N -1 3 278.377 2.791 20 30 CFEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ncccc1F ZINC001223975792 778378625 /nfs/dbraw/zinc/37/86/25/778378625.db2.gz FPBVUMICEJAVAS-KWSCKXNYSA-N -1 3 261.256 2.529 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128094389 778479487 /nfs/dbraw/zinc/47/94/87/778479487.db2.gz VURVOROHJAFUIJ-GFCCVEGCSA-N -1 3 268.272 2.549 20 30 CFEDHM C#C[C@H]1CCCN(Cc2ccc(Br)c([O-])c2)C1 ZINC001236698881 778913789 /nfs/dbraw/zinc/91/37/89/778913789.db2.gz NJHYPVIIZXVYMQ-NSHDSACASA-N -1 3 294.192 3.000 20 30 CFEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c([O-])c1 ZINC001236711877 778918475 /nfs/dbraw/zinc/91/84/75/778918475.db2.gz YDQJFXBIKKMMQU-XYYAHUGASA-N -1 3 260.312 2.798 20 30 CFEDHM CC(=O)[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234145000 779141147 /nfs/dbraw/zinc/14/11/47/779141147.db2.gz ZDUNORUVJQYEEA-INIZCTEOSA-N -1 3 267.284 2.973 20 30 CFEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1C(=O)[O-] ZINC001238234322 779287710 /nfs/dbraw/zinc/28/77/10/779287710.db2.gz ASBDXRTYKGVLTM-OJNYZHBWSA-N -1 3 288.322 2.790 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC001168626480 780121644 /nfs/dbraw/zinc/12/16/44/780121644.db2.gz BPRYTJBGBFXTNO-UHFFFAOYSA-N -1 3 278.739 2.988 20 30 CFEDHM COc1cc(-c2ccc(/C(C)=N/[O-])cc2)cnc1OC ZINC001240623126 780301100 /nfs/dbraw/zinc/30/11/00/780301100.db2.gz BHIVZBMUEMSTEH-LICLKQGHSA-N -1 3 272.304 2.964 20 30 CFEDHM COc1ccc(-c2cc([O-])cc(F)c2)nc1CC#N ZINC001241261764 780740967 /nfs/dbraw/zinc/74/09/67/780740967.db2.gz PYLMXEVLLYJMAL-UHFFFAOYSA-N -1 3 258.252 2.668 20 30 CFEDHM C=C(C)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001241444534 780894272 /nfs/dbraw/zinc/89/42/72/780894272.db2.gz NJHRBNVWXYLQOI-UHFFFAOYSA-N -1 3 263.304 2.962 20 30 CFEDHM C=C(C)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001241444534 780894281 /nfs/dbraw/zinc/89/42/81/780894281.db2.gz NJHRBNVWXYLQOI-UHFFFAOYSA-N -1 3 263.304 2.962 20 30 CFEDHM N#Cc1c[nH]c2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001241444383 780895880 /nfs/dbraw/zinc/89/58/80/780895880.db2.gz AJQYMWZYASWHKE-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#Cc1c[nH]c2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001241444383 780895890 /nfs/dbraw/zinc/89/58/90/780895890.db2.gz AJQYMWZYASWHKE-UHFFFAOYSA-N -1 3 286.298 2.887 20 30 CFEDHM N#Cc1c(-c2ccc(-c3nnn[n-]3)cc2)ccc2ncccc12 ZINC001241446051 780899000 /nfs/dbraw/zinc/89/90/00/780899000.db2.gz IEKMETNGADVCSC-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM N#Cc1c(-c2ccc(-c3nn[n-]n3)cc2)ccc2ncccc12 ZINC001241446051 780899010 /nfs/dbraw/zinc/89/90/10/780899010.db2.gz IEKMETNGADVCSC-UHFFFAOYSA-N -1 3 298.309 2.954 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001242474249 781529218 /nfs/dbraw/zinc/52/92/18/781529218.db2.gz RKQDTIBGOLJFKX-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)ccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001242474249 781529226 /nfs/dbraw/zinc/52/92/26/781529226.db2.gz RKQDTIBGOLJFKX-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM COC(=O)c1cc2c(-c3ccc([O-])c(C#N)c3)[nH]ccc-2n1 ZINC001242562092 781600061 /nfs/dbraw/zinc/60/00/61/781600061.db2.gz GXTZMQSCZODIQE-UHFFFAOYSA-N -1 3 293.282 2.594 20 30 CFEDHM COc1cc2[nH]cnc2cc1-c1ccc([O-])c(C#N)c1 ZINC001242565024 781603710 /nfs/dbraw/zinc/60/37/10/781603710.db2.gz HLIRBZZCICGAFS-UHFFFAOYSA-N -1 3 265.272 2.816 20 30 CFEDHM N#Cc1c[nH]c2nccc(-c3cc([O-])ccc3F)c12 ZINC001242763917 781747748 /nfs/dbraw/zinc/74/77/48/781747748.db2.gz BXLULKNXBFFVNX-UHFFFAOYSA-N -1 3 253.236 2.898 20 30 CFEDHM Cc1nc(C#N)cc(-c2cc([O-])cc(OC(F)(F)F)c2)n1 ZINC001242987913 781901597 /nfs/dbraw/zinc/90/15/97/781901597.db2.gz ZQDXEIBLQHDLCX-UHFFFAOYSA-N -1 3 295.220 2.928 20 30 CFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CC1 ZINC000594862665 349490800 /nfs/dbraw/zinc/49/08/00/349490800.db2.gz ORESOIZJERKQCT-AWEZNQCLSA-N -1 3 296.367 2.554 20 30 CFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C#N)c(C)c2)n1 ZINC000595525440 349650766 /nfs/dbraw/zinc/65/07/66/349650766.db2.gz GJJGLYKNKNIFGL-UHFFFAOYSA-N -1 3 296.374 2.696 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC1 ZINC000125712153 187197187 /nfs/dbraw/zinc/19/71/87/187197187.db2.gz RNUHBGRXHYDHCB-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM CCc1cc(C(=O)N2CCC(CC#N)CC2)ccc1[O-] ZINC000336547351 529511546 /nfs/dbraw/zinc/51/15/46/529511546.db2.gz KJEADMCRJWNYGU-UHFFFAOYSA-N -1 3 272.348 2.720 20 30 CFEDHM CC(C)[C@H](O)C(C)(C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596171765 349816151 /nfs/dbraw/zinc/81/61/51/349816151.db2.gz CTKIZFBNFXLMLF-VIFPVBQESA-N -1 3 287.816 2.545 20 30 CFEDHM N#Cc1[n-]c(=NCC2(C3CC3)CC2)sc1Cl ZINC000596171225 349816364 /nfs/dbraw/zinc/81/63/64/349816364.db2.gz AGGNHJJTEQPKTL-UHFFFAOYSA-N -1 3 253.758 2.692 20 30 CFEDHM CCc1nnc([N-]C(=O)c2oc(CC3CC3)nc2C)s1 ZINC000330008391 529769448 /nfs/dbraw/zinc/76/94/48/529769448.db2.gz FKKOTCTZYWMQJB-UHFFFAOYSA-N -1 3 292.364 2.986 20 30 CFEDHM C[C@H](CCO)C1(CN=c2[n-]c(C#N)c(Cl)s2)CCC1 ZINC000596184824 349820859 /nfs/dbraw/zinc/82/08/59/349820859.db2.gz KBWGKKDHKOOTLM-SECBINFHSA-N -1 3 299.827 2.691 20 30 CFEDHM CC1(C)CCCN(CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596213209 349828599 /nfs/dbraw/zinc/82/85/99/349828599.db2.gz WOYWUMWYWLCRRD-UHFFFAOYSA-N -1 3 298.843 2.624 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2CCC(F)(F)C2)sc1Cl ZINC000596219571 349831315 /nfs/dbraw/zinc/83/13/15/349831315.db2.gz VDGMRVXTBZZCIL-ZCFIWIBFSA-N -1 3 277.727 2.937 20 30 CFEDHM N#Cc1[n-]c(=NC[C@@H]2C[C@H]2C2CC2)sc1Cl ZINC000596261678 349846505 /nfs/dbraw/zinc/84/65/05/349846505.db2.gz HJOLAJMGTMPTRB-YUMQZZPRSA-N -1 3 253.758 2.548 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCc3ccccc32)c1[O-] ZINC000017701398 346239891 /nfs/dbraw/zinc/23/98/91/346239891.db2.gz ZHMTVJWONMHHRG-LEKRSAHOSA-N -1 3 282.343 2.694 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(F)c2)nc(C)n1 ZINC000049405167 346483137 /nfs/dbraw/zinc/48/31/37/346483137.db2.gz RURBHXDSOLISSI-LLVKDONJSA-N -1 3 287.269 2.862 20 30 CFEDHM N#CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000094150803 347693022 /nfs/dbraw/zinc/69/30/22/347693022.db2.gz FAUOTXUIGNDQPZ-UHFFFAOYSA-N -1 3 292.338 2.769 20 30 CFEDHM CC[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[O-] ZINC000671996972 539578665 /nfs/dbraw/zinc/57/86/65/539578665.db2.gz XEJYXQKXHGXROH-LBPRGKRZSA-N -1 3 251.326 2.647 20 30 CFEDHM N#Cc1ccsc1[N-]C(=O)c1ocnc1C1CC1 ZINC000288239648 348348649 /nfs/dbraw/zinc/34/86/49/348348649.db2.gz WXCKADSCLGBFQM-UHFFFAOYSA-N -1 3 259.290 2.737 20 30 CFEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)C#N)c2)n1 ZINC000357824753 348505134 /nfs/dbraw/zinc/50/51/34/348505134.db2.gz JWDKOZQHTTVIIX-SNVBAGLBSA-N -1 3 296.330 2.510 20 30 CFEDHM N#CC1(CC(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000590153303 348879458 /nfs/dbraw/zinc/87/94/58/348879458.db2.gz WLUFABRWVXQOJG-UHFFFAOYSA-N -1 3 295.136 2.787 20 30 CFEDHM C[C@@H](C#N)CN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000590422349 348899960 /nfs/dbraw/zinc/89/99/60/348899960.db2.gz KJNZIPAVSMEKCX-QMMMGPOBSA-N -1 3 286.253 2.643 20 30 CFEDHM N#CC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000590488092 348904377 /nfs/dbraw/zinc/90/43/77/348904377.db2.gz WGEILJFGEPBMOL-UHFFFAOYSA-N -1 3 292.338 2.579 20 30 CFEDHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000590956236 348971445 /nfs/dbraw/zinc/97/14/45/348971445.db2.gz YURXJBFOVQSBSX-LLVKDONJSA-N -1 3 294.358 2.782 20 30 CFEDHM CCOc1cc(CN2CC[C@@](F)(C#N)C2)cc(Cl)c1[O-] ZINC000590962083 348973172 /nfs/dbraw/zinc/97/31/72/348973172.db2.gz QYGPEYRFFCEZLZ-CQSZACIVSA-N -1 3 298.745 2.882 20 30 CFEDHM N#Cc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)ccn1 ZINC000591405123 349016887 /nfs/dbraw/zinc/01/68/87/349016887.db2.gz ZRLROQDIQNLBON-UHFFFAOYSA-N -1 3 298.371 2.760 20 30 CFEDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593556128 349292852 /nfs/dbraw/zinc/29/28/52/349292852.db2.gz KMQCEUJHOGJQNZ-NXEZZACHSA-N -1 3 286.422 2.723 20 30 CFEDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593556132 349293057 /nfs/dbraw/zinc/29/30/57/349293057.db2.gz KMQCEUJHOGJQNZ-VHSXEESVSA-N -1 3 286.422 2.723 20 30 CFEDHM CCC(C#N)=C([O-])N=c1[nH]n(C2CCCCC2)cc1C ZINC000593595082 349296725 /nfs/dbraw/zinc/29/67/25/349296725.db2.gz BGECJQALQGAXQG-LBPRGKRZSA-N -1 3 274.368 2.607 20 30 CFEDHM C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593606512 349297610 /nfs/dbraw/zinc/29/76/10/349297610.db2.gz TZDMMJDEAIQAEG-ZWNOBZJWSA-N -1 3 298.433 2.867 20 30 CFEDHM C[C@]1(C#N)CCN(Cc2cccc([O-])c2Br)C1 ZINC000597232442 350065395 /nfs/dbraw/zinc/06/53/95/350065395.db2.gz UJHTYNZERGOQRB-CYBMUJFWSA-N -1 3 295.180 2.890 20 30 CFEDHM C[C@@H](CC#N)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000597519434 350107925 /nfs/dbraw/zinc/10/79/25/350107925.db2.gz GFVKGLLVJUDFLK-MNOVXSKESA-N -1 3 258.321 2.782 20 30 CFEDHM CCCCOc1ccc(C(=O)N2CC(CC#N)C2)c([O-])c1 ZINC000598022291 350177558 /nfs/dbraw/zinc/17/75/58/350177558.db2.gz CPKLZGPXLDWWLH-UHFFFAOYSA-N -1 3 288.347 2.557 20 30 CFEDHM C[C@@H](C#N)N(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000598131081 350204617 /nfs/dbraw/zinc/20/46/17/350204617.db2.gz JCECZIXRKFUIDM-NSHDSACASA-N -1 3 284.359 2.788 20 30 CFEDHM Cc1ccc([O-])c(C(=O)NCC2(C#N)CCCCC2)c1 ZINC000598302795 350229695 /nfs/dbraw/zinc/22/96/95/350229695.db2.gz QFZCLNVGTRFHKR-UHFFFAOYSA-N -1 3 272.348 2.905 20 30 CFEDHM C[C@@]1(C#N)CCN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000598411673 350261126 /nfs/dbraw/zinc/26/11/26/350261126.db2.gz OXITWNPVXIUIFS-KRWDZBQOSA-N -1 3 284.359 2.647 20 30 CFEDHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@H](C)C#N ZINC000598907838 350346229 /nfs/dbraw/zinc/34/62/29/350346229.db2.gz XOVAXPGMQRQQRY-MRVPVSSYSA-N -1 3 286.253 2.785 20 30 CFEDHM Cc1nc([C@H](C)NC(=O)c2csc(=O)[n-]2)cs1 ZINC000329931473 539793737 /nfs/dbraw/zinc/79/37/37/539793737.db2.gz IGISJJVVSRVMRF-YFKPBYRVSA-N -1 3 269.351 2.679 20 30 CFEDHM C[C@]1(CN=c2[n-]c(C#N)c(Cl)s2)C[C@H]2C[C@H]2C1 ZINC000599171464 350388760 /nfs/dbraw/zinc/38/87/60/350388760.db2.gz IHDTUOYCCTXSCX-JDICNCQASA-N -1 3 267.785 2.938 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000599445831 350439070 /nfs/dbraw/zinc/43/90/70/350439070.db2.gz RMRBHDNUDDOLBP-LLVKDONJSA-N -1 3 296.417 2.644 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000599633039 350468944 /nfs/dbraw/zinc/46/89/44/350468944.db2.gz KRZCYXSBPUJSIJ-CYBMUJFWSA-N -1 3 272.348 2.903 20 30 CFEDHM Cc1ccc(CN2CCC(C)(C(=O)[O-])CC2)cc1C#N ZINC000600706264 350598273 /nfs/dbraw/zinc/59/82/73/350598273.db2.gz DEXLIONEJOGUJA-UHFFFAOYSA-N -1 3 272.348 2.553 20 30 CFEDHM N#Cc1cc(-c2cccc(CN3CCOCC3)c2)ccc1[O-] ZINC000600780934 350610696 /nfs/dbraw/zinc/61/06/96/350610696.db2.gz XGFFTIJFEVSGBZ-UHFFFAOYSA-N -1 3 294.354 2.763 20 30 CFEDHM C=C1CC(C)(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])C1 ZINC000601378144 350728393 /nfs/dbraw/zinc/72/83/93/350728393.db2.gz IWDGFQDTZIRVTP-UHFFFAOYSA-N -1 3 289.331 2.864 20 30 CFEDHM CCc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)ccc1[O-] ZINC000601811254 350781688 /nfs/dbraw/zinc/78/16/88/350781688.db2.gz BKNXBAJMLPWSNQ-UONOGXRCSA-N -1 3 272.348 2.719 20 30 CFEDHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c([O-])c1C ZINC000601820055 350785170 /nfs/dbraw/zinc/78/51/70/350785170.db2.gz MNCGZOQJHNEPEG-TZMCWYRMSA-N -1 3 272.348 2.773 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000609240848 351492494 /nfs/dbraw/zinc/49/24/94/351492494.db2.gz VHWZBAUMGRVPCA-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000612535400 351832954 /nfs/dbraw/zinc/83/29/54/351832954.db2.gz ZSVFBYMKNGUPKE-ZDUSSCGKSA-N -1 3 286.375 2.939 20 30 CFEDHM CCc1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1[O-] ZINC000612367528 351808980 /nfs/dbraw/zinc/80/89/80/351808980.db2.gz PXBVSZNQOPAZPY-INIZCTEOSA-N -1 3 272.348 2.720 20 30 CFEDHM CC#CCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023838 352274523 /nfs/dbraw/zinc/27/45/23/352274523.db2.gz XNRYTQXYSIRHCM-UHFFFAOYSA-N -1 3 282.343 2.750 20 30 CFEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc([O-])c1 ZINC000618890583 352906369 /nfs/dbraw/zinc/90/63/69/352906369.db2.gz KGKAGTCUBQKCMC-INIZCTEOSA-N -1 3 278.311 2.681 20 30 CFEDHM C=CCC1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCCC1 ZINC000619110312 352955624 /nfs/dbraw/zinc/95/56/24/352955624.db2.gz HSFQPYOIMZSEMY-UHFFFAOYSA-N -1 3 287.363 2.678 20 30 CFEDHM C=CCC1(NC(=O)c2cc(F)cc3nn[n-]c32)CCCC1 ZINC000619110675 352955882 /nfs/dbraw/zinc/95/58/82/352955882.db2.gz HWNOTCPRIVBSRJ-UHFFFAOYSA-N -1 3 288.326 2.716 20 30 CFEDHM C=CCC1(NC(=O)c2cc(F)cc3[n-]nnc32)CCCC1 ZINC000619110675 352955883 /nfs/dbraw/zinc/95/58/83/352955883.db2.gz HWNOTCPRIVBSRJ-UHFFFAOYSA-N -1 3 288.326 2.716 20 30 CFEDHM C=CCC1(NC(=O)c2cc(F)cc3n[n-]nc32)CCCC1 ZINC000619110675 352955884 /nfs/dbraw/zinc/95/58/84/352955884.db2.gz HWNOTCPRIVBSRJ-UHFFFAOYSA-N -1 3 288.326 2.716 20 30 CFEDHM Cc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c(F)c1 ZINC000619866679 353069289 /nfs/dbraw/zinc/06/92/89/353069289.db2.gz XCRSMBVAPTYWAL-UHFFFAOYSA-N -1 3 284.356 2.816 20 30 CFEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153565844 188090021 /nfs/dbraw/zinc/09/00/21/188090021.db2.gz DGWMANZJZNMYML-SECBINFHSA-N -1 3 269.728 2.965 20 30 CFEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000628491959 354607111 /nfs/dbraw/zinc/60/71/11/354607111.db2.gz LGCQITLBPOTJHX-GFCCVEGCSA-N -1 3 273.332 2.633 20 30 CFEDHM C=CCCC[C@H](C)Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629221671 354774737 /nfs/dbraw/zinc/77/47/37/354774737.db2.gz VGPFNIVZYGKDHF-VIFPVBQESA-N -1 3 278.381 2.906 20 30 CFEDHM C=CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC000629366852 354789575 /nfs/dbraw/zinc/78/95/75/354789575.db2.gz ZNHANIDVWHRRMK-LLVKDONJSA-N -1 3 263.312 2.922 20 30 CFEDHM N#Cc1cc(F)ccc1NC([O-])=NOC1CCCC1 ZINC000271808725 191341571 /nfs/dbraw/zinc/34/15/71/191341571.db2.gz LSQZAKUUINOGHX-UHFFFAOYSA-N -1 3 263.272 2.693 20 30 CFEDHM N#Cc1cc(F)ccc1NC(=O)[N-]OC1CCCC1 ZINC000271808725 191341574 /nfs/dbraw/zinc/34/15/74/191341574.db2.gz LSQZAKUUINOGHX-UHFFFAOYSA-N -1 3 263.272 2.693 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc([O-])c(OC)c1 ZINC000272561633 191789575 /nfs/dbraw/zinc/78/95/75/191789575.db2.gz AEMMDCMZCQKPRC-UHFFFAOYSA-N -1 3 289.253 2.591 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cs1 ZINC000671749382 541072012 /nfs/dbraw/zinc/07/20/12/541072012.db2.gz QFEIFEVRJINBLI-GFCCVEGCSA-N -1 3 271.345 2.953 20 30 CFEDHM Cc1ccc([O-])c(C(=O)Nc2cccc(C#N)c2)c1 ZINC000011371151 371919313 /nfs/dbraw/zinc/91/93/13/371919313.db2.gz NGQNNAQEVWHPOJ-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c([O-])c1 ZINC000017410041 372134397 /nfs/dbraw/zinc/13/43/97/372134397.db2.gz QZZRQQDCZXVSNY-GFCCVEGCSA-N -1 3 296.326 2.978 20 30 CFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2ccccn2)ccc1F ZINC000066507242 373934587 /nfs/dbraw/zinc/93/45/87/373934587.db2.gz LWTPFEYECACMKD-GFCCVEGCSA-N -1 3 297.289 2.669 20 30 CFEDHM COc1ccc([O-])c(NC(=O)/C=C\c2ccc(C#N)cc2)c1 ZINC000492271330 246239668 /nfs/dbraw/zinc/23/96/68/246239668.db2.gz UUYNTLBZLCJDOE-TWGQIWQCSA-N -1 3 294.310 2.924 20 30 CFEDHM C[C@H](C#N)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000081791219 374715491 /nfs/dbraw/zinc/71/54/91/374715491.db2.gz TVLDFSPNCUFMKO-CYBMUJFWSA-N -1 3 294.354 2.872 20 30 CFEDHM CCCOc1ccc(/C=N/CCCn2cccn2)c([O-])c1 ZINC000119410751 376410946 /nfs/dbraw/zinc/41/09/46/376410946.db2.gz CQYPFPMOKOWHAE-GHRIWEEISA-N -1 3 287.363 2.887 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000122264119 376924095 /nfs/dbraw/zinc/92/40/95/376924095.db2.gz XPQVFWSFYGGJIY-VIFPVBQESA-N -1 3 275.320 2.516 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000123068388 376945216 /nfs/dbraw/zinc/94/52/16/376945216.db2.gz OINDRZROBMNZGM-UHFFFAOYSA-N -1 3 263.721 2.797 20 30 CFEDHM COc1ccc([O-])c(C(=O)N[C@H](C)[C@@H]2CCCOC2)c1 ZINC000330761833 335041683 /nfs/dbraw/zinc/04/16/83/335041683.db2.gz NPMUWGFVHSDVMZ-GHMZBOCLSA-N -1 3 279.336 2.521 20 30 CFEDHM C=CC[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000152146090 378398923 /nfs/dbraw/zinc/39/89/23/378398923.db2.gz PILHKLJUCCOHMY-SECBINFHSA-N -1 3 253.729 2.669 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000152171514 378401121 /nfs/dbraw/zinc/40/11/21/378401121.db2.gz SIFNBKFVVOWQHZ-BLLLJJGKSA-N -1 3 272.348 2.903 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000152171747 378401392 /nfs/dbraw/zinc/40/13/92/378401392.db2.gz SIFNBKFVVOWQHZ-WBMJQRKESA-N -1 3 272.348 2.903 20 30 CFEDHM CCS[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000328816256 378428950 /nfs/dbraw/zinc/42/89/50/378428950.db2.gz OMLKSPYJIIKAIP-KXUCPTDWSA-N -1 3 299.396 2.650 20 30 CFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000328896226 378436190 /nfs/dbraw/zinc/43/61/90/378436190.db2.gz BXJTYLVVDFBIHK-MMWGEVLESA-N -1 3 279.340 2.555 20 30 CFEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1csc(=O)[n-]1 ZINC000329925546 378514262 /nfs/dbraw/zinc/51/42/62/378514262.db2.gz VNLKOVKHWLSNAF-MWLCHTKSSA-N -1 3 298.408 2.995 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC[C@H](O)C(C)(C)C)c1 ZINC000330606347 378589966 /nfs/dbraw/zinc/58/99/66/378589966.db2.gz NMLGHMRCXKFHDO-ZDUSSCGKSA-N -1 3 265.353 2.666 20 30 CFEDHM N#Cc1cccc(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000334229435 378954266 /nfs/dbraw/zinc/95/42/66/378954266.db2.gz QFGYCACZFDLJBK-UHFFFAOYSA-N -1 3 280.209 2.552 20 30 CFEDHM N#Cc1cccc(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000334229435 378954270 /nfs/dbraw/zinc/95/42/70/378954270.db2.gz QFGYCACZFDLJBK-UHFFFAOYSA-N -1 3 280.209 2.552 20 30 CFEDHM C[C@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000334425490 379275994 /nfs/dbraw/zinc/27/59/94/379275994.db2.gz UQKDTNJYYJMHBW-ZCFIWIBFSA-N -1 3 258.199 2.509 20 30 CFEDHM Cc1csc([N-]C(=O)c2scnc2C)c1C#N ZINC000335672454 379696848 /nfs/dbraw/zinc/69/68/48/379696848.db2.gz UGPWTRRNTITZAO-UHFFFAOYSA-N -1 3 263.347 2.945 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc([O-])cc1F ZINC000335843824 379981311 /nfs/dbraw/zinc/98/13/11/379981311.db2.gz BUTYFAIJXQSHOR-UHFFFAOYSA-N -1 3 260.224 2.557 20 30 CFEDHM Cc1cccc(C(=O)NCC2CCC(C#N)CC2)c1[O-] ZINC000336311159 380313545 /nfs/dbraw/zinc/31/35/45/380313545.db2.gz IWKMSJVRXXCJLT-UHFFFAOYSA-N -1 3 272.348 2.760 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000179547406 380553951 /nfs/dbraw/zinc/55/39/51/380553951.db2.gz WXRZNJVWNFRKRA-GFCCVEGCSA-N -1 3 296.326 2.978 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(F)cnc1Cl ZINC000295748386 381051539 /nfs/dbraw/zinc/05/15/39/381051539.db2.gz GZEMOFNAFPZVCU-UHFFFAOYSA-N -1 3 278.661 2.702 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ncc(Cl)s1 ZINC000358778050 381075381 /nfs/dbraw/zinc/07/53/81/381075381.db2.gz HCDDEXLUQRQKHF-UHFFFAOYSA-N -1 3 288.785 2.572 20 30 CFEDHM C=CCOc1cccnc1C(=O)Nc1ccccc1[O-] ZINC000342040350 381208015 /nfs/dbraw/zinc/20/80/15/381208015.db2.gz GVQMOCSMJZTXQT-UHFFFAOYSA-N -1 3 270.288 2.604 20 30 CFEDHM COc1ncc(C([O-])=C(C#N)c2ccccn2)cc1Cl ZINC000342444224 381335475 /nfs/dbraw/zinc/33/54/75/381335475.db2.gz XAQWKKYGLXVYMJ-JTQLQIEISA-N -1 3 287.706 2.629 20 30 CFEDHM N#CC(=C([O-])c1ccccc1-n1cccn1)c1ccccn1 ZINC000049457457 412944401 /nfs/dbraw/zinc/94/44/01/412944401.db2.gz HMWPSYRGPBBKAF-AWEZNQCLSA-N -1 3 288.310 2.757 20 30 CFEDHM C=CCOc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296635387 381481793 /nfs/dbraw/zinc/48/17/93/381481793.db2.gz XKMACGJDZBKHIV-UHFFFAOYSA-N -1 3 250.298 2.713 20 30 CFEDHM C=CCOc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296635387 381481802 /nfs/dbraw/zinc/48/18/02/381481802.db2.gz XKMACGJDZBKHIV-UHFFFAOYSA-N -1 3 250.298 2.713 20 30 CFEDHM CC(C)ON=C([O-])Nc1ccc(C#N)c(Cl)c1 ZINC000296575910 381455884 /nfs/dbraw/zinc/45/58/84/381455884.db2.gz MCWXUTGFCJJZGC-UHFFFAOYSA-N -1 3 253.689 2.673 20 30 CFEDHM CC(C)O[N-]C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000296575910 381455886 /nfs/dbraw/zinc/45/58/86/381455886.db2.gz MCWXUTGFCJJZGC-UHFFFAOYSA-N -1 3 253.689 2.673 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCCCc1ccccc1 ZINC000348133687 381464588 /nfs/dbraw/zinc/46/45/88/381464588.db2.gz XRJCHBQLYQGKSH-UHFFFAOYSA-N -1 3 275.377 2.895 20 30 CFEDHM C#CCOc1ccccc1NC([O-])=NOC[C@H](C)CC ZINC000296720377 381519814 /nfs/dbraw/zinc/51/98/14/381519814.db2.gz JFKYXKKLPSFNMN-GFCCVEGCSA-N -1 3 276.336 2.798 20 30 CFEDHM C#CCOc1ccccc1NC(=O)[N-]OC[C@H](C)CC ZINC000296720377 381519821 /nfs/dbraw/zinc/51/98/21/381519821.db2.gz JFKYXKKLPSFNMN-GFCCVEGCSA-N -1 3 276.336 2.798 20 30 CFEDHM COc1ccc(NC(=O)c2ccc(F)c(C#N)c2)c([O-])c1 ZINC000354996413 381557889 /nfs/dbraw/zinc/55/78/89/381557889.db2.gz FIRJALUADFLFAH-UHFFFAOYSA-N -1 3 286.262 2.664 20 30 CFEDHM C#CCO[N-]C(=O)CCCCCc1ccc(F)cc1 ZINC000291278979 381732984 /nfs/dbraw/zinc/73/29/84/381732984.db2.gz OLQPHAMKUCJGLJ-UHFFFAOYSA-N -1 3 263.312 2.610 20 30 CFEDHM N#CCCCOc1cccc(CNCc2ncccc2[O-])c1 ZINC000355310880 381743383 /nfs/dbraw/zinc/74/33/83/381743383.db2.gz IHCXWZWKNUYESN-UHFFFAOYSA-N -1 3 297.358 2.760 20 30 CFEDHM N#CC1(NC(=O)c2ccc3c(c2[O-])CCCC3)CCCC1 ZINC000185971694 381789793 /nfs/dbraw/zinc/78/97/93/381789793.db2.gz YFCPSDQRXICOPY-UHFFFAOYSA-N -1 3 284.359 2.837 20 30 CFEDHM CC#CCCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000186439759 381911468 /nfs/dbraw/zinc/91/14/68/381911468.db2.gz MVMIIZUSSPUCKG-UHFFFAOYSA-N -1 3 272.308 2.505 20 30 CFEDHM CC#CCCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000186439759 381911473 /nfs/dbraw/zinc/91/14/73/381911473.db2.gz MVMIIZUSSPUCKG-UHFFFAOYSA-N -1 3 272.308 2.505 20 30 CFEDHM CC#CCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000186439759 381911476 /nfs/dbraw/zinc/91/14/76/381911476.db2.gz MVMIIZUSSPUCKG-UHFFFAOYSA-N -1 3 272.308 2.505 20 30 CFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H]1C ZINC000300706647 382066487 /nfs/dbraw/zinc/06/64/87/382066487.db2.gz CIAOURRDUYXPMC-JFGNBEQYSA-N -1 3 298.433 2.723 20 30 CFEDHM N#CCC1(CN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000362356541 382022638 /nfs/dbraw/zinc/02/26/38/382022638.db2.gz ABFXTEPCQQPBQK-UHFFFAOYSA-N -1 3 261.272 2.690 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000293654045 382217178 /nfs/dbraw/zinc/21/71/78/382217178.db2.gz LBHSCPSWNMMSPZ-LLVKDONJSA-N -1 3 285.265 2.977 20 30 CFEDHM CC(C)(C)[C@@H](C#N)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345753863 382311512 /nfs/dbraw/zinc/31/15/12/382311512.db2.gz JGIXIQZYCNZVOC-CQSZACIVSA-N -1 3 292.354 2.908 20 30 CFEDHM CC[C@@H](C)CO[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000293826140 382294795 /nfs/dbraw/zinc/29/47/95/382294795.db2.gz VJHMHMRBRQHUBQ-MRVPVSSYSA-N -1 3 268.263 2.544 20 30 CFEDHM C=CCn1c(SCCCCOC(C)(C)C)n[n-]c1=O ZINC000352910555 382482747 /nfs/dbraw/zinc/48/27/47/382482747.db2.gz FHYOVAXCPDFZMN-UHFFFAOYSA-N -1 3 285.413 2.857 20 30 CFEDHM CCc1cc(C#N)c([N-]C(=O)c2snnc2C)s1 ZINC000191383955 382699451 /nfs/dbraw/zinc/69/94/51/382699451.db2.gz FPDBVZLLQAAVIJ-UHFFFAOYSA-N -1 3 278.362 2.594 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CCCC2)s1 ZINC000230350107 382859475 /nfs/dbraw/zinc/85/94/75/382859475.db2.gz LDNMHGQORYPXMX-UHFFFAOYSA-N -1 3 298.433 2.868 20 30 CFEDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230336995 382859650 /nfs/dbraw/zinc/85/96/50/382859650.db2.gz OZQCSTDJLSPHOW-JQWIXIFHSA-N -1 3 298.433 2.867 20 30 CFEDHM C=CCSCCNC(=O)c1cc(CC)ccc1[O-] ZINC000543745801 382972660 /nfs/dbraw/zinc/97/26/60/382972660.db2.gz QPXWXPMDSFRSFC-UHFFFAOYSA-N -1 3 265.378 2.604 20 30 CFEDHM N#CC(=C([O-])c1cccc2nccnc21)c1ccccn1 ZINC000544555292 382974686 /nfs/dbraw/zinc/97/46/86/382974686.db2.gz GTOKMRBEMVPBBU-LBPRGKRZSA-N -1 3 274.283 2.515 20 30 CFEDHM COC(=O)N1CCC[C@H]([C@H](C)/N=C\c2ccccc2[O-])C1 ZINC000495471634 382989868 /nfs/dbraw/zinc/98/98/68/382989868.db2.gz ALQYKMJJDAQXJZ-NCQPTCLOSA-N -1 3 290.363 2.678 20 30 CFEDHM COCc1nc(SCC#Cc2cccc(Cl)c2)n[n-]1 ZINC000448102308 383045002 /nfs/dbraw/zinc/04/50/02/383045002.db2.gz UTADZNIZPMHDMD-UHFFFAOYSA-N -1 3 293.779 2.748 20 30 CFEDHM C=CCCC[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000447874662 383020463 /nfs/dbraw/zinc/02/04/63/383020463.db2.gz XKSISHSIWKOVGF-UHFFFAOYSA-N -1 3 289.784 2.593 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N(C)C)c2)nc(C)n1 ZINC000338629237 383025103 /nfs/dbraw/zinc/02/51/03/383025103.db2.gz YNGJQPFWRQLYRM-OAHLLOKOSA-N -1 3 294.358 2.650 20 30 CFEDHM C=CCn1c(S[C@H]2CCC(C)(C)C2)n[n-]c1=O ZINC000566210504 383185444 /nfs/dbraw/zinc/18/54/44/383185444.db2.gz WSMYMEBLTCDZRY-VIFPVBQESA-N -1 3 253.371 2.841 20 30 CFEDHM CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000339108073 383151576 /nfs/dbraw/zinc/15/15/76/383151576.db2.gz FUEBMSOVXJATSM-SNVBAGLBSA-N -1 3 298.433 2.724 20 30 CFEDHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(C#N)c2)n1 ZINC000339118101 383155685 /nfs/dbraw/zinc/15/56/85/383155685.db2.gz WJCVRORCNHCISK-HWKANZROSA-N -1 3 255.252 2.672 20 30 CFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(CC)c1[O-] ZINC000515120009 383158593 /nfs/dbraw/zinc/15/85/93/383158593.db2.gz PPYMEGCYBKSCAI-CZUORRHYSA-N -1 3 289.375 2.666 20 30 CFEDHM CCc1cc(=O)[n-]c(CSCC2(C#N)CCC2)n1 ZINC000568976372 383455019 /nfs/dbraw/zinc/45/50/19/383455019.db2.gz SPDDIHRHHFYQLZ-UHFFFAOYSA-N -1 3 263.366 2.672 20 30 CFEDHM C=C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528427846 383533136 /nfs/dbraw/zinc/53/31/36/383533136.db2.gz CFFSUGVVEANHIF-UHFFFAOYSA-N -1 3 296.164 2.947 20 30 CFEDHM Cc1nsc(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000429687878 383559326 /nfs/dbraw/zinc/55/93/26/383559326.db2.gz VJAPWPDGCZAKCH-JTQLQIEISA-N -1 3 257.318 2.645 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000280847798 195000675 /nfs/dbraw/zinc/00/06/75/195000675.db2.gz YBSPCRODNFZQSS-UHFFFAOYSA-N -1 3 290.348 2.861 20 30 CFEDHM C=CCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169603 383767617 /nfs/dbraw/zinc/76/76/17/383767617.db2.gz SMSQCTQQDBSVBB-UHFFFAOYSA-N -1 3 263.312 2.848 20 30 CFEDHM C=CCCOCCCCC(=O)Nc1cccc2n[n-]nc21 ZINC000640379826 383778073 /nfs/dbraw/zinc/77/80/73/383778073.db2.gz KFSUWKOKQGJQBM-UHFFFAOYSA-N -1 3 288.351 2.659 20 30 CFEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436704669 383876298 /nfs/dbraw/zinc/87/62/98/383876298.db2.gz HWMRCLZMOVDGCK-UHFFFAOYSA-N -1 3 297.314 2.566 20 30 CFEDHM C=C(C)[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)OCC ZINC000270269235 385037180 /nfs/dbraw/zinc/03/71/80/385037180.db2.gz VPNYSQALOOEURO-CQSZACIVSA-N -1 3 281.327 2.519 20 30 CFEDHM CCCCc1nnc([N-]C(=O)c2cc(C#N)oc2C)s1 ZINC000280734210 385133583 /nfs/dbraw/zinc/13/35/83/385133583.db2.gz KGLQSKGNECTVGT-UHFFFAOYSA-N -1 3 290.348 2.906 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000280781699 385151307 /nfs/dbraw/zinc/15/13/07/385151307.db2.gz PLUNYQWBTQZQAR-UHFFFAOYSA-N -1 3 276.321 2.687 20 30 CFEDHM COCc1ncc(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000288938073 197196564 /nfs/dbraw/zinc/19/65/64/197196564.db2.gz XJSCQTWSRULDRB-UHFFFAOYSA-N -1 3 293.373 2.783 20 30 CFEDHM C#C[C@@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000274733424 385859850 /nfs/dbraw/zinc/85/98/50/385859850.db2.gz IDUKXIFSCODJHE-MRVPVSSYSA-N -1 3 257.667 2.570 20 30 CFEDHM CSCCON=C([O-])Nc1ccc(C#N)cc1Cl ZINC000281503272 195267129 /nfs/dbraw/zinc/26/71/29/195267129.db2.gz UZIPKKMRMYRKLR-UHFFFAOYSA-N -1 3 285.756 2.628 20 30 CFEDHM CSCCO[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000281503272 195267130 /nfs/dbraw/zinc/26/71/30/195267130.db2.gz UZIPKKMRMYRKLR-UHFFFAOYSA-N -1 3 285.756 2.628 20 30 CFEDHM COc1cc(C#N)cc(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000413008609 533493063 /nfs/dbraw/zinc/49/30/63/533493063.db2.gz YKZUNZAPHCFFKW-UHFFFAOYSA-N -1 3 297.314 2.519 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000683689391 542709135 /nfs/dbraw/zinc/70/91/35/542709135.db2.gz CHULUVZVDRLVMG-JTQLQIEISA-N -1 3 257.318 2.645 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183787571 393522428 /nfs/dbraw/zinc/52/24/28/393522428.db2.gz SVCPVJWIYJLUFD-LBPRGKRZSA-N -1 3 272.348 2.693 20 30 CFEDHM C=C(C)COCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000345758773 393917174 /nfs/dbraw/zinc/91/71/74/393917174.db2.gz PGTFFHITPQBEJZ-UHFFFAOYSA-N -1 3 295.354 2.563 20 30 CFEDHM CCc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1Cl ZINC000416945553 393946867 /nfs/dbraw/zinc/94/68/67/393946867.db2.gz ADVIDVJKKZXCLW-NSHDSACASA-N -1 3 286.784 2.946 20 30 CFEDHM COc1cc(/C=C/c2ccncc2C#N)cc(OC)c1[O-] ZINC000436814980 394024140 /nfs/dbraw/zinc/02/41/40/394024140.db2.gz JOHHPZMIEZYODY-ONEGZZNKSA-N -1 3 282.299 2.846 20 30 CFEDHM COc1cc(-c2nc3cc(C#N)ccc3[nH]2)cc(OC)c1[O-] ZINC000123216112 393978169 /nfs/dbraw/zinc/97/81/69/393978169.db2.gz WANHLODWRORUQU-UHFFFAOYSA-N -1 3 295.298 2.824 20 30 CFEDHM C=CCC(C)(C)CNC(=O)/C=C\c1cncc([O-])c1 ZINC000492804770 394076792 /nfs/dbraw/zinc/07/67/92/394076792.db2.gz IEFSTNXEGCDUHU-WAYWQWQTSA-N -1 3 260.337 2.519 20 30 CFEDHM C#CCCCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000289038992 394214712 /nfs/dbraw/zinc/21/47/12/394214712.db2.gz GOKKAYGAGFIWLD-UHFFFAOYSA-N -1 3 272.304 2.797 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1cc(C)ccc1OC ZINC000493398653 394231903 /nfs/dbraw/zinc/23/19/03/394231903.db2.gz WTOBFGQSLPFUDV-ZVTBTPLYSA-N -1 3 261.321 2.639 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1cc(C)ccc1OC ZINC000493398651 394231955 /nfs/dbraw/zinc/23/19/55/394231955.db2.gz WTOBFGQSLPFUDV-UPZNUWHASA-N -1 3 261.321 2.639 20 30 CFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000362495122 394186365 /nfs/dbraw/zinc/18/63/65/394186365.db2.gz VLJQXJVDGVGRFS-SNVBAGLBSA-N -1 3 298.346 2.854 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C/c1cc(C)ccc1OC ZINC000493525987 394268993 /nfs/dbraw/zinc/26/89/93/394268993.db2.gz NTHGHHSSZXFYOM-SOFGYWHQSA-N -1 3 261.321 2.641 20 30 CFEDHM CC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCCC1 ZINC000157397793 394344561 /nfs/dbraw/zinc/34/45/61/394344561.db2.gz WCIJTUKGZIWLNC-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM CCC[C@H](C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000537638733 394588964 /nfs/dbraw/zinc/58/89/64/394588964.db2.gz UHBYCNXHFAAOLV-CYBMUJFWSA-N -1 3 272.348 2.693 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)CCc2ccc(C#N)cc2)n1 ZINC000345935096 162281189 /nfs/dbraw/zinc/28/11/89/162281189.db2.gz UQNDHKPMDHDDEC-UHFFFAOYSA-N -1 3 281.315 2.539 20 30 CFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000040349736 174243944 /nfs/dbraw/zinc/24/39/44/174243944.db2.gz HINACOMBPBYVHR-UHFFFAOYSA-N -1 3 293.175 2.574 20 30 CFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cccs1 ZINC000660143598 414670376 /nfs/dbraw/zinc/67/03/76/414670376.db2.gz VNGJEOGBVJOVSV-UHFFFAOYSA-N -1 3 259.396 2.771 20 30 CFEDHM C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000335152505 225696888 /nfs/dbraw/zinc/69/68/88/225696888.db2.gz XQEDXMWESQDATJ-MADCSZMMSA-N -1 3 295.136 2.643 20 30 CFEDHM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1ccncn1 ZINC000354469127 227005851 /nfs/dbraw/zinc/00/58/51/227005851.db2.gz MORCBXTZBICQJP-NSHDSACASA-N -1 3 289.241 2.568 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1C ZINC000354475854 227008905 /nfs/dbraw/zinc/00/89/05/227008905.db2.gz YIDUONIPBNWIBP-CYBMUJFWSA-N -1 3 251.289 2.584 20 30 CFEDHM C[C@@H]1CC[C@H](NC(=O)c2csc(=O)[n-]2)[C@@H](C)C1 ZINC000329981288 228005493 /nfs/dbraw/zinc/00/54/93/228005493.db2.gz MYVZIEDJXCNNFG-VGMNWLOBSA-N -1 3 254.355 2.978 20 30 CFEDHM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000336196257 228210233 /nfs/dbraw/zinc/21/02/33/228210233.db2.gz KASZVAOXVSOLOG-KRTXAFLBSA-N -1 3 284.237 2.899 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313213446 260260897 /nfs/dbraw/zinc/26/08/97/260260897.db2.gz WQMKAKJDWNQFGN-LLVKDONJSA-N -1 3 271.357 2.767 20 30 CFEDHM N#CCSCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000075076682 260289890 /nfs/dbraw/zinc/28/98/90/260289890.db2.gz UXMCPTHCSISXHT-UHFFFAOYSA-N -1 3 291.405 2.606 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000085586756 260376457 /nfs/dbraw/zinc/37/64/57/260376457.db2.gz JHEIFKMFBYOLLQ-UHFFFAOYSA-N -1 3 283.125 2.643 20 30 CFEDHM Cc1ccc(C#N)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000181939727 261768032 /nfs/dbraw/zinc/76/80/32/261768032.db2.gz AUBLCVYNZUFALM-SNAWJCMRSA-N -1 3 279.299 2.619 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000116905367 262189616 /nfs/dbraw/zinc/18/96/16/262189616.db2.gz DWEQTRJQICFTRZ-SECBINFHSA-N -1 3 289.784 2.592 20 30 CFEDHM CC(C)(C)n1cc(/C=C/C(=O)c2cccc([O-])c2)nn1 ZINC000191228503 262190272 /nfs/dbraw/zinc/19/02/72/262190272.db2.gz ZHXHBFKHOQZZLI-BQYQJAHWSA-N -1 3 271.320 2.635 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC23CCCCC3)c1[O-] ZINC000271368665 262996138 /nfs/dbraw/zinc/99/61/38/262996138.db2.gz OWBDPMNIKYFKGW-RMNBPEERSA-N -1 3 274.364 2.730 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCC2)cc1 ZINC000272410236 263004156 /nfs/dbraw/zinc/00/41/56/263004156.db2.gz BYCLEXOUYBSNPS-UHFFFAOYSA-N -1 3 264.275 2.649 20 30 CFEDHM CC(=O)c1cc(F)cc(CN2CCC(C)(C#N)CC2)c1[O-] ZINC000272588373 263007226 /nfs/dbraw/zinc/00/72/26/263007226.db2.gz PCNMBKKUIIIEPC-UHFFFAOYSA-N -1 3 290.338 2.860 20 30 CFEDHM CC[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294421177 263161354 /nfs/dbraw/zinc/16/13/54/263161354.db2.gz FGWIXXSZJRHXDP-AWEZNQCLSA-N -1 3 282.343 2.896 20 30 CFEDHM Cc1ccccc1C[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000298773425 263225609 /nfs/dbraw/zinc/22/56/09/263225609.db2.gz JGWOWMDEMCNZPP-UZPSYVQNSA-N -1 3 298.386 2.946 20 30 CFEDHM CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c([O-])c1 ZINC000331234150 264173644 /nfs/dbraw/zinc/17/36/44/264173644.db2.gz KGZLAZUGMUMNKL-DGCLKSJQSA-N -1 3 258.321 2.951 20 30 CFEDHM CC#CCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331234758 264174610 /nfs/dbraw/zinc/17/46/10/264174610.db2.gz KSTSSGAHBQIBRC-UHFFFAOYSA-N -1 3 273.332 2.824 20 30 CFEDHM CC[C@H](NC(=O)c1cccc(OC)c1[O-])C1CCOCC1 ZINC000331236778 264175342 /nfs/dbraw/zinc/17/53/42/264175342.db2.gz MPLKMUMEJJWUGX-ZDUSSCGKSA-N -1 3 293.363 2.911 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@H]2CCSC2)cc1[O-] ZINC000331359015 264209038 /nfs/dbraw/zinc/20/90/38/264209038.db2.gz VXSXXXAMQVLZAN-SNVBAGLBSA-N -1 3 279.361 2.653 20 30 CFEDHM CN(CC(C)(C)C#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000353241554 265214952 /nfs/dbraw/zinc/21/49/52/265214952.db2.gz KQSAAENIVBENDJ-UHFFFAOYSA-N -1 3 292.354 2.862 20 30 CFEDHM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2csc(=O)[n-]2)CCO1 ZINC000329966773 277242454 /nfs/dbraw/zinc/24/24/54/277242454.db2.gz VUIDQMNSHQBQMA-SCZZXKLOSA-N -1 3 284.381 2.747 20 30 CFEDHM Cc1cccc(C(=O)NCc2cccc(C#N)c2)c1[O-] ZINC000055464102 280449864 /nfs/dbraw/zinc/44/98/64/280449864.db2.gz RQRASQDGXJKWBP-UHFFFAOYSA-N -1 3 266.300 2.502 20 30 CFEDHM Cc1ccc(C(=O)NCc2ccc(C#N)cc2)c([O-])c1 ZINC000055464128 280449946 /nfs/dbraw/zinc/44/99/46/280449946.db2.gz XBPJAQDLJATFRW-UHFFFAOYSA-N -1 3 266.300 2.502 20 30 CFEDHM Cc1csc([N-]C(=O)c2nn(C)c(C)c2Cl)c1C#N ZINC000335041962 293049009 /nfs/dbraw/zinc/04/90/09/293049009.db2.gz GNYIVWKNXDHYQD-UHFFFAOYSA-N -1 3 294.767 2.876 20 30 CFEDHM N#Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426690095 294915258 /nfs/dbraw/zinc/91/52/58/294915258.db2.gz ZCVVECFLKXMAJE-CQSZACIVSA-N -1 3 286.356 2.925 20 30 CFEDHM O=C(N[C@@H]1CCCC(F)(F)C1)c1csc(=O)[n-]1 ZINC000329921107 295379623 /nfs/dbraw/zinc/37/96/23/295379623.db2.gz FLXZRSCHDIWDIT-ZCFIWIBFSA-N -1 3 262.281 2.731 20 30 CFEDHM CCc1cccc(C(=O)Nc2cc(CC#N)ccn2)c1[O-] ZINC000531674122 328022843 /nfs/dbraw/zinc/02/28/43/328022843.db2.gz DACNRDSXIZGFQC-UHFFFAOYSA-N -1 3 281.315 2.668 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC2(C)C)c1[O-] ZINC000267324223 328177240 /nfs/dbraw/zinc/17/72/40/328177240.db2.gz GIANNEZSADRSQZ-TVYFDWKESA-N -1 3 262.353 2.586 20 30 CFEDHM C[C@@H](C#N)CN(C)Cc1cc(Br)ccc1[O-] ZINC000271137991 328195389 /nfs/dbraw/zinc/19/53/89/328195389.db2.gz SWDHQPFDOILKBF-VIFPVBQESA-N -1 3 283.169 2.746 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000277740763 328222312 /nfs/dbraw/zinc/22/23/12/328222312.db2.gz BMGVEYVTWIGACC-AWEZNQCLSA-N -1 3 272.348 2.855 20 30 CFEDHM CCCOc1ccc(/C=N/C[C@@H]2CCOC2)c([O-])c1 ZINC000298397327 328296118 /nfs/dbraw/zinc/29/61/18/328296118.db2.gz ICCUEDNVHFYJHI-SEJMYLSOSA-N -1 3 263.337 2.636 20 30 CFEDHM COc1csc(C(=O)[N-]c2sccc2C#N)c1 ZINC000175488196 323664308 /nfs/dbraw/zinc/66/43/08/323664308.db2.gz GXCIITIFICXOAY-UHFFFAOYSA-N -1 3 264.331 2.942 20 30 CFEDHM N#Cc1csc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000350474152 324218708 /nfs/dbraw/zinc/21/87/08/324218708.db2.gz CHJUDFAYTGWESW-UHFFFAOYSA-N -1 3 294.299 2.608 20 30 CFEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000350581155 324236694 /nfs/dbraw/zinc/23/66/94/324236694.db2.gz PSBGLGPKLPZJFZ-UHFFFAOYSA-N -1 3 253.217 2.574 20 30 CFEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000518285820 327150953 /nfs/dbraw/zinc/15/09/53/327150953.db2.gz MWQVTNSHCXUGTM-QGZVFWFLSA-N -1 3 284.359 2.693 20 30 CFEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000113177307 327289963 /nfs/dbraw/zinc/28/99/63/327289963.db2.gz RLGCPGXFXCXPMO-SECBINFHSA-N -1 3 276.645 2.973 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000180217299 329218563 /nfs/dbraw/zinc/21/85/63/329218563.db2.gz MXLADVLFDIDLOG-UHFFFAOYSA-N -1 3 277.345 2.863 20 30 CFEDHM CC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000041492789 329564439 /nfs/dbraw/zinc/56/44/39/329564439.db2.gz BLHVZWNXTVCYMG-JTQLQIEISA-N -1 3 270.313 2.836 20 30 CFEDHM Cc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccccc2F)c1 ZINC000161427925 329933373 /nfs/dbraw/zinc/93/33/73/329933373.db2.gz RZBGRNGRKRMVCR-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000120103151 330384525 /nfs/dbraw/zinc/38/45/25/330384525.db2.gz DZYPFFRTONSDMD-UHFFFAOYSA-N -1 3 295.389 2.523 20 30 CFEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429887687 330556116 /nfs/dbraw/zinc/55/61/16/330556116.db2.gz DZTJEWXMHPIUGB-UHFFFAOYSA-N -1 3 293.175 2.575 20 30 CFEDHM C=CC[C@@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436551485 330679942 /nfs/dbraw/zinc/67/99/42/330679942.db2.gz ZPXRAJKHLRRBCM-SNVBAGLBSA-N -1 3 275.348 2.800 20 30 CFEDHM N#CC1CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000451444747 331029825 /nfs/dbraw/zinc/02/98/25/331029825.db2.gz JBAKAINOTSNVQN-UHFFFAOYSA-N -1 3 290.338 2.520 20 30 CFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000451802025 331042618 /nfs/dbraw/zinc/04/26/18/331042618.db2.gz KIPGADJIQPVLSY-UHFFFAOYSA-N -1 3 293.310 2.950 20 30 CFEDHM C=C(C)CCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000452721228 331073827 /nfs/dbraw/zinc/07/38/27/331073827.db2.gz ZAPXRMGLSDHWNX-UHFFFAOYSA-N -1 3 288.322 2.672 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1C(C)C ZINC000453593829 331135332 /nfs/dbraw/zinc/13/53/32/331135332.db2.gz VOHWMULQZVNADT-GFCCVEGCSA-N -1 3 268.320 2.658 20 30 CFEDHM C=C(CC)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000456813708 331205166 /nfs/dbraw/zinc/20/51/66/331205166.db2.gz RDZRJXCUKOZZSC-UHFFFAOYSA-N -1 3 253.729 2.671 20 30 CFEDHM CC(C)(CC#N)CNC(=O)Cc1ccc([O-])cc1Cl ZINC000457995578 331240048 /nfs/dbraw/zinc/24/00/48/331240048.db2.gz QMDAUIMRODMRCQ-UHFFFAOYSA-N -1 3 280.755 2.644 20 30 CFEDHM N#CCN(Cc1cccc([O-])c1Br)C1CC1 ZINC000459320172 331276046 /nfs/dbraw/zinc/27/60/46/331276046.db2.gz FOABNSCTXCWGNO-UHFFFAOYSA-N -1 3 281.153 2.643 20 30 CFEDHM C#CC(C)(C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000490739158 332110367 /nfs/dbraw/zinc/11/03/67/332110367.db2.gz GZLMCRDKSCFSSA-UHFFFAOYSA-N -1 3 253.301 2.687 20 30 CFEDHM C#C[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000491309240 332187685 /nfs/dbraw/zinc/18/76/85/332187685.db2.gz YANWHJWIUQPCOC-SNVBAGLBSA-N -1 3 277.280 2.977 20 30 CFEDHM C#C[C@@H](CCC)NC(=O)Cc1ccc([O-])cc1Cl ZINC000491393084 332202994 /nfs/dbraw/zinc/20/29/94/332202994.db2.gz GICAINLTDALQFJ-NSHDSACASA-N -1 3 265.740 2.506 20 30 CFEDHM CCOC(=O)N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000495463948 332520017 /nfs/dbraw/zinc/52/00/17/332520017.db2.gz RATCMPLSRDQCAS-VJMCZWTHSA-N -1 3 296.754 2.695 20 30 CFEDHM C=C(CC)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000529466663 333488822 /nfs/dbraw/zinc/48/88/22/333488822.db2.gz JYSXOOVXLJQHIR-UHFFFAOYSA-N -1 3 284.153 2.851 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529511259 333491876 /nfs/dbraw/zinc/49/18/76/333491876.db2.gz HQJGGCBOLICEPZ-ZLKJLUDKSA-N -1 3 263.312 2.942 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530144816 333525534 /nfs/dbraw/zinc/52/55/34/333525534.db2.gz KWKRGVHJCUSIKU-LLVKDONJSA-N -1 3 298.795 2.873 20 30 CFEDHM C=CCSCCNC(=O)c1cccc(CC)c1[O-] ZINC000543747620 333894820 /nfs/dbraw/zinc/89/48/20/333894820.db2.gz BEKVQCMWEBLKRO-UHFFFAOYSA-N -1 3 265.378 2.604 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1cnn(CCC(C)C)c1C ZINC000137799082 334179570 /nfs/dbraw/zinc/17/95/70/334179570.db2.gz LWRYABYZYLKLJK-UHFFFAOYSA-N -1 3 285.413 2.555 20 30 CFEDHM CC[C@@H](CC#N)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000577073273 335295773 /nfs/dbraw/zinc/29/57/73/335295773.db2.gz LFOWKLUFZVASKO-JTQLQIEISA-N -1 3 296.330 2.863 20 30 CFEDHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000181484847 335764066 /nfs/dbraw/zinc/76/40/66/335764066.db2.gz WQLWYWAENBYHGH-GFCCVEGCSA-N -1 3 282.347 2.832 20 30 CFEDHM C[C@@H](C#N)CNCc1cc([O-])cc(C(F)(F)F)c1 ZINC000581163559 336017228 /nfs/dbraw/zinc/01/72/28/336017228.db2.gz QUSUYBHDXWXLOO-QMMMGPOBSA-N -1 3 258.243 2.660 20 30 CFEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000194545695 336029483 /nfs/dbraw/zinc/02/94/83/336029483.db2.gz BSNBAFSEIVTYFN-UHFFFAOYSA-N -1 3 297.854 2.599 20 30 CFEDHM COc1ccc(-c2ccccc2C=N[O-])c(CO)c1 ZINC001243251608 782098264 /nfs/dbraw/zinc/09/82/64/782098264.db2.gz DKYHEEYKYPKYQL-UHFFFAOYSA-N -1 3 257.289 2.663 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000280025895 500572847 /nfs/dbraw/zinc/57/28/47/500572847.db2.gz YLSJKXWJHVMLTD-ZWNOBZJWSA-N -1 3 281.739 2.965 20 30 CFEDHM Cc1cc(Cl)ccc1C([O-])=C(C#N)c1ccncn1 ZINC000354470531 533779425 /nfs/dbraw/zinc/77/94/25/533779425.db2.gz SIGPMAWRINYXBN-LBPRGKRZSA-N -1 3 271.707 2.929 20 30 CFEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230349511 524408875 /nfs/dbraw/zinc/40/88/75/524408875.db2.gz ZBWKIPPAEWYAFA-MNOVXSKESA-N -1 3 298.433 2.867 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1ccc(F)c(C#N)c1 ZINC000334976389 524702556 /nfs/dbraw/zinc/70/25/56/524702556.db2.gz SYKJUFVLOXRJSU-UHFFFAOYSA-N -1 3 270.263 2.964 20 30 CFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1F ZINC000308029616 526665884 /nfs/dbraw/zinc/66/58/84/526665884.db2.gz YWRWNRBWNGJXBI-UHFFFAOYSA-N -1 3 290.319 2.639 20 30 CFEDHM C=CCCC1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000355044498 527097972 /nfs/dbraw/zinc/09/79/72/527097972.db2.gz VZDOAHAAVHJVAP-UHFFFAOYSA-N -1 3 274.246 2.508 20 30 CFEDHM C=CCCC1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000355044498 527097977 /nfs/dbraw/zinc/09/79/77/527097977.db2.gz VZDOAHAAVHJVAP-UHFFFAOYSA-N -1 3 274.246 2.508 20 30 CFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000334749982 527478346 /nfs/dbraw/zinc/47/83/46/527478346.db2.gz PHWWCFPMADNEDX-OLZOCXBDSA-N -1 3 281.739 2.509 20 30 CFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000352984364 527569845 /nfs/dbraw/zinc/56/98/45/527569845.db2.gz DAEPMNFTZNEQKT-ZETCQYMHSA-N -1 3 265.787 2.563 20 30 CFEDHM COc1ccc(NC(=O)/C=C\c2cccc(C#N)c2)c([O-])c1 ZINC000491978064 536716666 /nfs/dbraw/zinc/71/66/66/536716666.db2.gz AZICRBAGZIUBOI-YVMONPNESA-N -1 3 294.310 2.924 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000753996419 574062090 /nfs/dbraw/zinc/06/20/90/574062090.db2.gz UCUBPKLIMFLNLN-SVEUUZFUSA-N -1 3 276.380 2.832 20 30 CFEDHM CC1(C)OCC(/N=C/c2cc(Cl)ccc2[O-])CO1 ZINC000753994343 574062253 /nfs/dbraw/zinc/06/22/53/574062253.db2.gz KRFUCVWRHRTXDD-GIDUJCDVSA-N -1 3 269.728 2.616 20 30 CFEDHM C=C(Cl)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000736689853 574066612 /nfs/dbraw/zinc/06/66/12/574066612.db2.gz WZKAPQADADQVCV-UHFFFAOYSA-N -1 3 281.739 2.588 20 30 CFEDHM COc1cccc([O-])c1/C=N/CCc1c(C)noc1C ZINC000730434942 574081483 /nfs/dbraw/zinc/08/14/83/574081483.db2.gz WYFIUILEXZAPKN-CXUHLZMHSA-N -1 3 274.320 2.667 20 30 CFEDHM CCOc1ccc(/C=N\CCOCC2CC2)c([O-])c1 ZINC000730950567 574104088 /nfs/dbraw/zinc/10/40/88/574104088.db2.gz GCNRVMXQABHFKR-YBEGLDIGSA-N -1 3 263.337 2.636 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCOCC1CC1 ZINC000730952414 574104412 /nfs/dbraw/zinc/10/44/12/574104412.db2.gz VPFWQXRJZBNDBT-OVCLIPMQSA-N -1 3 253.729 2.891 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H](C)C(=O)OC(C)(C)C ZINC000730952029 574104578 /nfs/dbraw/zinc/10/45/78/574104578.db2.gz RJTVNSCNATWLPO-XBTXGSBDSA-N -1 3 279.336 2.550 20 30 CFEDHM COC(=O)c1ccc(OCC/N=C/c2ccccc2[O-])cc1 ZINC000731155364 574111436 /nfs/dbraw/zinc/11/14/36/574111436.db2.gz FMLSYRKTNSJYBM-LDADJPATSA-N -1 3 299.326 2.677 20 30 CFEDHM C=CCc1cc(OC)cc(CN(CC#N)C2CC2)c1[O-] ZINC000754720131 574116477 /nfs/dbraw/zinc/11/64/77/574116477.db2.gz KRHZRWCNNWKARH-UHFFFAOYSA-N -1 3 272.348 2.617 20 30 CFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc([O-])cs1 ZINC000731871877 574131183 /nfs/dbraw/zinc/13/11/83/574131183.db2.gz TVUVNPBCWDVJFW-UHFFFAOYSA-N -1 3 289.331 2.868 20 30 CFEDHM CN(Cc1cccc(F)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486467 574144270 /nfs/dbraw/zinc/14/42/70/574144270.db2.gz MHKINLVNRHJOAB-MRXNPFEDSA-N -1 3 298.317 2.955 20 30 CFEDHM CN(Cc1ccccc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737492898 574144681 /nfs/dbraw/zinc/14/46/81/574144681.db2.gz XYCIMTKOINHBFC-INIZCTEOSA-N -1 3 280.327 2.816 20 30 CFEDHM C=CCOc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000732301661 574149211 /nfs/dbraw/zinc/14/92/11/574149211.db2.gz FRPSMDXBKDKRKT-UHFFFAOYSA-N -1 3 289.356 2.949 20 30 CFEDHM N#Cc1cc(NC(=O)c2cc([O-])cs2)ccc1F ZINC000732286497 574149850 /nfs/dbraw/zinc/14/98/50/574149850.db2.gz YIUPMTHOYYNGDN-UHFFFAOYSA-N -1 3 262.265 2.717 20 30 CFEDHM [O-]c1ccccc1/C=N\CCc1cnc(C2CC2)nc1 ZINC000755374983 574157560 /nfs/dbraw/zinc/15/75/60/574157560.db2.gz DEHYMQZRZLWSKL-BOPFTXTBSA-N -1 3 267.332 2.721 20 30 CFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000755441927 574162476 /nfs/dbraw/zinc/16/24/76/574162476.db2.gz JNDQFARPJWIBAQ-NPQIQWPPSA-N -1 3 296.367 2.654 20 30 CFEDHM [O-]c1ccc(C=NN=c2[nH]c3ccccc3s2)nc1 ZINC000755463970 574163424 /nfs/dbraw/zinc/16/34/24/574163424.db2.gz IALKOSHKJNWSGB-UHFFFAOYSA-N -1 3 270.317 2.843 20 30 CFEDHM [O-]c1ccc(C=NNC(=S)NC2CCCCC2)cc1F ZINC000755506210 574166351 /nfs/dbraw/zinc/16/63/51/574166351.db2.gz TYAWNZMBLOGIEF-UHFFFAOYSA-N -1 3 295.383 2.662 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@H](O)c1ccccc1C ZINC000732713833 574166865 /nfs/dbraw/zinc/16/68/65/574166865.db2.gz MFOBQCUISIOOSH-HKJBKDEOSA-N -1 3 285.343 2.862 20 30 CFEDHM CC(C)(C)CN(CCC#N)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738697583 574181182 /nfs/dbraw/zinc/18/11/82/574181182.db2.gz GVHRWYRUKVBCAO-ZDUSSCGKSA-N -1 3 281.400 2.638 20 30 CFEDHM [O-]c1ccc(Cl)cc1C=NO[C@@H]1CCCCO1 ZINC000755817362 574189638 /nfs/dbraw/zinc/18/96/38/574189638.db2.gz KIACAQBRPSCFTQ-GFCCVEGCSA-N -1 3 255.701 2.923 20 30 CFEDHM N#Cc1ccc([C@@H](NCc2ccsc2)C(=O)[O-])cc1 ZINC000739107029 574198821 /nfs/dbraw/zinc/19/88/21/574198821.db2.gz OOLKSNYLAIKLKK-CYBMUJFWSA-N -1 3 272.329 2.535 20 30 CFEDHM [O-]c1c(O)ccc(C=NNc2cc(F)c(F)c(F)c2)c1O ZINC000747637717 574204681 /nfs/dbraw/zinc/20/46/81/574204681.db2.gz ALFAJXVOJGDVLC-UHFFFAOYSA-N -1 3 298.220 2.667 20 30 CFEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)c(F)c1 ZINC000747708375 574207717 /nfs/dbraw/zinc/20/77/17/574207717.db2.gz XISGUMKFSJCHOV-UHFFFAOYSA-N -1 3 274.295 2.786 20 30 CFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)C(C)(C)C ZINC000739964869 574230596 /nfs/dbraw/zinc/23/05/96/574230596.db2.gz ZOQHCSCGOFRCIF-SNVBAGLBSA-N -1 3 298.383 2.658 20 30 CFEDHM CC(=NNC(=S)NCC1CCC1)c1ccc([O-])cc1F ZINC000729933392 574238300 /nfs/dbraw/zinc/23/83/00/574238300.db2.gz ZYRRXYTYBUKUGK-UHFFFAOYSA-N -1 3 295.383 2.520 20 30 CFEDHM COc1cccc([O-])c1/C=N\CCc1ccc2c(c1)CCO2 ZINC000733903092 574260929 /nfs/dbraw/zinc/26/09/29/574260929.db2.gz HDNNVJUBSIPILO-UNOMPAQXSA-N -1 3 297.354 2.997 20 30 CFEDHM O=C(/C=C/c1ccc([O-])c(F)c1)c1cc(O)cc(O)c1 ZINC000755600142 574303458 /nfs/dbraw/zinc/30/34/58/574303458.db2.gz XKZACGWMPGAOCS-HNQUOIGGSA-N -1 3 274.247 2.839 20 30 CFEDHM [O-]c1ccc(C=NNc2cccc3ncccc32)nc1 ZINC000755650645 574310996 /nfs/dbraw/zinc/31/09/96/574310996.db2.gz DCJZNDSTXZUFKZ-UHFFFAOYSA-N -1 3 264.288 2.781 20 30 CFEDHM [O-]c1ccccc1/C=N\Cc1cccc(-n2cncn2)c1 ZINC000735413968 574322644 /nfs/dbraw/zinc/32/26/44/574322644.db2.gz ARTIHJFPNAGWNQ-YVLHZVERSA-N -1 3 278.315 2.592 20 30 CFEDHM C=CCSCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735436091 574324357 /nfs/dbraw/zinc/32/43/57/574324357.db2.gz FIFZUSQLYJJSSI-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM C=CCSCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735436091 574324359 /nfs/dbraw/zinc/32/43/59/574324359.db2.gz FIFZUSQLYJJSSI-UHFFFAOYSA-N -1 3 295.799 2.851 20 30 CFEDHM C=CCCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736102112 574349910 /nfs/dbraw/zinc/34/99/10/574349910.db2.gz ALJSWJIYHPLTBG-AWEZNQCLSA-N -1 3 288.391 2.862 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2ccc3scnc3c2)c1[O-] ZINC000750950689 574365289 /nfs/dbraw/zinc/36/52/89/574365289.db2.gz ZFCHRLVVLUSZCZ-UHFFFAOYSA-N -1 3 299.355 2.948 20 30 CFEDHM Cc1cc(C(=O)/C=C\c2ccc3c(c2)nnn3C)ccc1[O-] ZINC000751032015 574368675 /nfs/dbraw/zinc/36/86/75/574368675.db2.gz MSJWPSKARFLWGS-DAXSKMNVSA-N -1 3 293.326 2.878 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC000743726952 574371282 /nfs/dbraw/zinc/37/12/82/574371282.db2.gz PMEYFBMMILLAQW-UHFFFAOYSA-N -1 3 298.317 2.895 20 30 CFEDHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[O-] ZINC000743797946 574372275 /nfs/dbraw/zinc/37/22/75/574372275.db2.gz IOXIOKWTAGMSTE-UHFFFAOYSA-N -1 3 268.725 2.891 20 30 CFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=CC1CC1 ZINC000744011229 574375798 /nfs/dbraw/zinc/37/57/98/574375798.db2.gz XOVBEIBJIZDTED-BCPZQOPPSA-N -1 3 265.316 2.716 20 30 CFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])C=CC1CC1 ZINC000744025155 574375861 /nfs/dbraw/zinc/37/58/61/574375861.db2.gz HMOMFLDUPZQMAX-ZHAHRWAOSA-N -1 3 288.734 2.954 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn[nH]c1 ZINC000751521261 574378228 /nfs/dbraw/zinc/37/82/28/574378228.db2.gz FKNQGKXEWYITJI-FGROQZRYSA-N -1 3 258.252 2.638 20 30 CFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000751596774 574379891 /nfs/dbraw/zinc/37/98/91/574379891.db2.gz OLALGYXZFIYALI-AWEZNQCLSA-N -1 3 290.388 2.585 20 30 CFEDHM CCOC(=O)[C@H](CC1CC1)/N=C\c1c([O-])cccc1OC ZINC000751889408 574384340 /nfs/dbraw/zinc/38/43/40/574384340.db2.gz BDSQTDXCTRFBHJ-NWRYFCBHSA-N -1 3 291.347 2.552 20 30 CFEDHM CCCCC[C@H](/N=C\c1ccccc1[O-])C(=O)OC ZINC000751891034 574384343 /nfs/dbraw/zinc/38/43/43/574384343.db2.gz SHNUMEAVOHZIDP-RERGGYADSA-N -1 3 263.337 2.933 20 30 CFEDHM COc1cccc([O-])c1/C=N/CC(=O)OC1CCCCC1 ZINC000751890459 574384392 /nfs/dbraw/zinc/38/43/92/574384392.db2.gz NARWXJGRXKNCLM-LICLKQGHSA-N -1 3 291.347 2.696 20 30 CFEDHM CCOc1ccc(/C=N/[C@@H](CC(=O)OC)C2CC2)c([O-])c1 ZINC000753563006 574404703 /nfs/dbraw/zinc/40/47/03/574404703.db2.gz HEBMPJLEOZZOTK-FBJMNJBLSA-N -1 3 291.347 2.552 20 30 CFEDHM Cc1c(C#N)cccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822015336 607257274 /nfs/dbraw/zinc/25/72/74/607257274.db2.gz ISSNLUTUUVYHQL-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(C#N)cccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822015336 607257275 /nfs/dbraw/zinc/25/72/75/607257275.db2.gz ISSNLUTUUVYHQL-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822482379 599111371 /nfs/dbraw/zinc/11/13/71/599111371.db2.gz RZEVHVGVGWTQMQ-AATRIKPKSA-N -1 3 297.343 2.528 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822482379 599111372 /nfs/dbraw/zinc/11/13/72/599111372.db2.gz RZEVHVGVGWTQMQ-AATRIKPKSA-N -1 3 297.343 2.528 20 30 CFEDHM CC(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)n[nH]1 ZINC000900096314 620637558 /nfs/dbraw/zinc/63/75/58/620637558.db2.gz ZCJFZBBSSKOQEM-UHFFFAOYSA-N -1 3 277.299 2.704 20 30 CFEDHM C#CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000817675286 597137090 /nfs/dbraw/zinc/13/70/90/597137090.db2.gz LTKICTHQOPZIAJ-UHFFFAOYSA-N -1 3 295.338 2.687 20 30 CFEDHM C=C(C)CN(CC)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819723127 607303706 /nfs/dbraw/zinc/30/37/06/607303706.db2.gz ZUSVSFMGZDDWKY-UHFFFAOYSA-N -1 3 279.294 2.547 20 30 CFEDHM C=C(C)CN(CC)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819723127 607303707 /nfs/dbraw/zinc/30/37/07/607303707.db2.gz ZUSVSFMGZDDWKY-UHFFFAOYSA-N -1 3 279.294 2.547 20 30 CFEDHM CCC(C)(C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820848330 599689685 /nfs/dbraw/zinc/68/96/85/599689685.db2.gz UYUVKQIVOICUJY-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM CCC(C)(C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820848330 599689686 /nfs/dbraw/zinc/68/96/86/599689686.db2.gz UYUVKQIVOICUJY-UHFFFAOYSA-N -1 3 298.350 2.503 20 30 CFEDHM C#CCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825609058 600749972 /nfs/dbraw/zinc/74/99/72/600749972.db2.gz PYYFYXRVKLLQJC-NSHDSACASA-N -1 3 272.131 2.732 20 30 CFEDHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000832882900 601299718 /nfs/dbraw/zinc/29/97/18/601299718.db2.gz OHHAOLDDYCXJHG-INIZCTEOSA-N -1 3 298.317 2.921 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826268927 607571151 /nfs/dbraw/zinc/57/11/51/607571151.db2.gz TVOLMJNTPKWZHP-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1cc(F)ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826268927 607571153 /nfs/dbraw/zinc/57/11/53/607571153.db2.gz TVOLMJNTPKWZHP-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM C=CCN(CC=C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000077253111 604515173 /nfs/dbraw/zinc/51/51/73/604515173.db2.gz SDFNAUANTSAXEH-CYBMUJFWSA-N -1 3 275.348 2.713 20 30 CFEDHM CC(C)[C@H](C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833469369 604601493 /nfs/dbraw/zinc/60/14/93/604601493.db2.gz VZEQXAJNFGTHRE-NSHDSACASA-N -1 3 260.337 2.733 20 30 CFEDHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(CC#N)CC1 ZINC000833547525 605139023 /nfs/dbraw/zinc/13/90/23/605139023.db2.gz UQCQDENJOBPNNI-SNVBAGLBSA-N -1 3 262.309 2.664 20 30 CFEDHM C#CCCCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833362057 605360485 /nfs/dbraw/zinc/36/04/85/605360485.db2.gz XHQAJOLZIGUZIH-ZDUSSCGKSA-N -1 3 283.730 2.998 20 30 CFEDHM C=C(Br)CSc1cccc(-c2nnn[n-]2)c1 ZINC000819718299 606325164 /nfs/dbraw/zinc/32/51/64/606325164.db2.gz FBULWHUTKYRHTI-UHFFFAOYSA-N -1 3 297.181 2.867 20 30 CFEDHM C=C(Br)CSc1cccc(-c2nn[n-]n2)c1 ZINC000819718299 606325166 /nfs/dbraw/zinc/32/51/66/606325166.db2.gz FBULWHUTKYRHTI-UHFFFAOYSA-N -1 3 297.181 2.867 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826401887 607883944 /nfs/dbraw/zinc/88/39/44/607883944.db2.gz IZIKBZYPHTZXQX-YFHOEESVSA-N -1 3 294.289 2.902 20 30 CFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826401887 607883945 /nfs/dbraw/zinc/88/39/45/607883945.db2.gz IZIKBZYPHTZXQX-YFHOEESVSA-N -1 3 294.289 2.902 20 30 CFEDHM FC(F)(F)c1cc(N=NCC2CC2)ccc1-c1nnn[n-]1 ZINC000826368417 607888683 /nfs/dbraw/zinc/88/86/83/607888683.db2.gz ORICZCBBSFYIIJ-UHFFFAOYSA-N -1 3 296.256 2.693 20 30 CFEDHM FC(F)(F)c1cc(N=NCC2CC2)ccc1-c1nn[n-]n1 ZINC000826368417 607888684 /nfs/dbraw/zinc/88/86/84/607888684.db2.gz ORICZCBBSFYIIJ-UHFFFAOYSA-N -1 3 296.256 2.693 20 30 CFEDHM C=CCCOCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823899167 607934752 /nfs/dbraw/zinc/93/47/52/607934752.db2.gz OEARVEVRYSXWFU-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=CCCOCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823899167 607934753 /nfs/dbraw/zinc/93/47/53/607934753.db2.gz OEARVEVRYSXWFU-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962595 609161093 /nfs/dbraw/zinc/16/10/93/609161093.db2.gz LVMHEPRBQRMAQW-UHFFFAOYSA-N -1 3 289.314 2.689 20 30 CFEDHM CC(=NOC1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962595 609161095 /nfs/dbraw/zinc/16/10/95/609161095.db2.gz LVMHEPRBQRMAQW-UHFFFAOYSA-N -1 3 289.314 2.689 20 30 CFEDHM CCC(CC)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825106594 609277846 /nfs/dbraw/zinc/27/78/46/609277846.db2.gz GGZXIPLEBKGJQQ-UHFFFAOYSA-N -1 3 290.346 2.508 20 30 CFEDHM CCC(CC)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825106594 609277847 /nfs/dbraw/zinc/27/78/47/609277847.db2.gz GGZXIPLEBKGJQQ-UHFFFAOYSA-N -1 3 290.346 2.508 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)[C@]12CCO[C@H]1CCCC2 ZINC000900680089 620701767 /nfs/dbraw/zinc/70/17/67/620701767.db2.gz XOGYQCMFOFDVRG-GOEBONIOSA-N -1 3 293.338 2.893 20 30 CFEDHM CCCCN([O-])C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000900683415 620702077 /nfs/dbraw/zinc/70/20/77/620702077.db2.gz XLKSPCQQGNNCHE-UWVGGRQHSA-N -1 3 283.290 2.894 20 30 CFEDHM Clc1cc(N=NC2CCCC2)ccc1-c1nnn[n-]1 ZINC000826351663 609473979 /nfs/dbraw/zinc/47/39/79/609473979.db2.gz VGKWLUMMCSWEID-UHFFFAOYSA-N -1 3 276.731 2.862 20 30 CFEDHM Clc1cc(N=NC2CCCC2)ccc1-c1nn[n-]n1 ZINC000826351663 609473981 /nfs/dbraw/zinc/47/39/81/609473981.db2.gz VGKWLUMMCSWEID-UHFFFAOYSA-N -1 3 276.731 2.862 20 30 CFEDHM N#CCc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382686 609474749 /nfs/dbraw/zinc/47/47/49/609474749.db2.gz QEUQTLPFCSBVCG-UHFFFAOYSA-N -1 3 290.330 2.545 20 30 CFEDHM CCCCN([O-])C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000900683414 620702290 /nfs/dbraw/zinc/70/22/90/620702290.db2.gz XLKSPCQQGNNCHE-NXEZZACHSA-N -1 3 283.290 2.894 20 30 CFEDHM C=CC[C@@H]1CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000890549868 617641103 /nfs/dbraw/zinc/64/11/03/617641103.db2.gz RBWALZFHESIUTB-SNVBAGLBSA-N -1 3 263.362 2.905 20 30 CFEDHM C=CCN1C(=O)/C(=C/c2ccc([O-])c(F)c2)SC1=S ZINC000255413571 617840935 /nfs/dbraw/zinc/84/09/35/617840935.db2.gz VLSTZDXVQQDGQQ-XFFZJAGNSA-N -1 3 295.360 2.919 20 30 CFEDHM CC(=NOCC(F)(F)F)c1ccc(F)c([O-])c1 ZINC000901207081 620764958 /nfs/dbraw/zinc/76/49/58/620764958.db2.gz JOTXKICOQITPQQ-UHFFFAOYSA-N -1 3 251.179 2.834 20 30 CFEDHM CC(=NNC[C@@H]1CCSC1)c1ccc(F)c([O-])c1 ZINC000901244780 620770879 /nfs/dbraw/zinc/77/08/79/620770879.db2.gz XCPBBZZEOOFGMN-JTQLQIEISA-N -1 3 268.357 2.598 20 30 CFEDHM CCOC(=O)C(C)(C)ON=C(C)c1ccc(F)c([O-])c1 ZINC000901250267 620772487 /nfs/dbraw/zinc/77/24/87/620772487.db2.gz OSDKFCWSVCXPMY-UHFFFAOYSA-N -1 3 283.299 2.614 20 30 CFEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000255556793 618108256 /nfs/dbraw/zinc/10/82/56/618108256.db2.gz BTISRNGMJJRHCD-UHFFFAOYSA-N -1 3 277.251 2.702 20 30 CFEDHM C[C@@H]1C[C@@H](NN=Cc2cc([O-])cc(Cl)c2)C[C@H](C)O1 ZINC000901298003 620785119 /nfs/dbraw/zinc/78/51/19/620785119.db2.gz AEUWYFDUMJTSIL-DDFAGTSDSA-N -1 3 282.771 2.925 20 30 CFEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1ccccn1 ZINC000255342095 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ZINC001226256417 775758021 /nfs/dbraw/zinc/75/80/21/775758021.db2.gz ROFGKNNJJOEIOU-ZRRZQRFHSA-N -1 3 251.330 2.878 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nnc2C)C1 ZINC001226460405 775831509 /nfs/dbraw/zinc/83/15/09/775831509.db2.gz CWEYLBSAELEHPL-VXGBXAGGSA-N -1 3 261.325 2.565 20 30 CFEDHM C#C[C@@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533047 775864476 /nfs/dbraw/zinc/86/44/76/775864476.db2.gz XTJYKDAAHLNYIJ-JTQLQIEISA-N -1 3 258.273 2.598 20 30 CFEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3nccnc32)C1 ZINC001226992928 776053198 /nfs/dbraw/zinc/05/31/98/776053198.db2.gz YLIBOKROMXBVIW-NEPJUHHUSA-N -1 3 298.346 2.805 20 30 CFEDHM CCc1cnc(=S)[n-]c1O[C@@H](C)C#C[Si](C)(C)C ZINC001227060851 776078316 /nfs/dbraw/zinc/07/83/16/776078316.db2.gz FPPZVMFMDKGHIN-JTQLQIEISA-N -1 3 280.469 2.976 20 30 CFEDHM C#C[C@@H](CCCC)Oc1[n-]c(=S)ncc1CC ZINC001227062087 776080039 /nfs/dbraw/zinc/08/00/39/776080039.db2.gz RTHCUGBBKWNJDB-NSHDSACASA-N -1 3 250.367 2.899 20 30 CFEDHM N#Cc1ccc([O-])c(O[C@H]2COCc3ccccc32)c1 ZINC001227351617 776183746 /nfs/dbraw/zinc/18/37/46/776183746.db2.gz WMFBKNOZXAMZQX-INIZCTEOSA-N -1 3 267.284 2.914 20 30 CFEDHM C=CCC[C@@H](CC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615523 776246171 /nfs/dbraw/zinc/24/61/71/776246171.db2.gz CFYITOGQCGEQJH-MRVPVSSYSA-N -1 3 264.354 2.765 20 30 CFEDHM C#C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227690579 776258945 /nfs/dbraw/zinc/25/89/45/776258945.db2.gz IWUQQMWGAMJPCX-GFCCVEGCSA-N -1 3 294.270 2.619 20 30 CFEDHM C#C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(C)C ZINC001227743084 776276198 /nfs/dbraw/zinc/27/61/98/776276198.db2.gz IQXGFEBPYNESFX-GFCCVEGCSA-N -1 3 259.265 2.508 20 30 CFEDHM C#C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(C)C ZINC001227743084 776276206 /nfs/dbraw/zinc/27/62/06/776276206.db2.gz IQXGFEBPYNESFX-GFCCVEGCSA-N -1 3 259.265 2.508 20 30 CFEDHM CCCCCC[C@@](C)(CCC)C(=O)N[C@H]1CCN([O-])C1=O ZINC001141380472 776494024 /nfs/dbraw/zinc/49/40/24/776494024.db2.gz QUQNOBFMNXJCSI-XJKSGUPXSA-N -1 3 298.427 2.870 20 30 CFEDHM CCC#C[C@@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622492 776543672 /nfs/dbraw/zinc/54/36/72/776543672.db2.gz JKQBPZCBIBMRNB-LLVKDONJSA-N -1 3 272.300 2.988 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686081 776567947 /nfs/dbraw/zinc/56/79/47/776567947.db2.gz LQLICWXILDQVOE-NSHDSACASA-N -1 3 278.308 2.965 20 30 CFEDHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1C#N ZINC001228697000 776571154 /nfs/dbraw/zinc/57/11/54/776571154.db2.gz CYGFXAZQHPPMOH-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1C#N ZINC001228697000 776571159 /nfs/dbraw/zinc/57/11/59/776571159.db2.gz CYGFXAZQHPPMOH-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1C#N ZINC001228697000 776571163 /nfs/dbraw/zinc/57/11/63/776571163.db2.gz CYGFXAZQHPPMOH-LLVKDONJSA-N -1 3 291.314 2.878 20 30 CFEDHM C=C[C@@H](CC)Oc1ncc(Br)cc1[O-] ZINC001228957789 776662087 /nfs/dbraw/zinc/66/20/87/776662087.db2.gz WDFYSFYFQAVQJS-QMMMGPOBSA-N -1 3 258.115 2.893 20 30 CFEDHM C=CC(C=C)Oc1ncc(Br)cc1[O-] ZINC001228954577 776669644 /nfs/dbraw/zinc/66/96/44/776669644.db2.gz FEAZZKPNPLUDOC-UHFFFAOYSA-N -1 3 256.099 2.669 20 30 CFEDHM C#C[C@H](CCC)Oc1ncc(Br)cc1[O-] ZINC001228956876 776669796 /nfs/dbraw/zinc/66/97/96/776669796.db2.gz RUSPXZFONLTJIS-SECBINFHSA-N -1 3 270.126 2.730 20 30 CFEDHM C#C[C@H](CCCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229953877 776922856 /nfs/dbraw/zinc/92/28/56/776922856.db2.gz FNXNZQJUHJXZQN-GFCCVEGCSA-N -1 3 270.336 2.828 20 30 CFEDHM C#C[C@H](CCCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229953877 776922863 /nfs/dbraw/zinc/92/28/63/776922863.db2.gz FNXNZQJUHJXZQN-GFCCVEGCSA-N -1 3 270.336 2.828 20 30 CFEDHM COC(C)(C)C[C@H](C)Oc1[n-]c(C)cc(=O)c1C#N ZINC001225468164 776990010 /nfs/dbraw/zinc/99/00/10/776990010.db2.gz LPCSBMYBWQMFKI-JTQLQIEISA-N -1 3 264.325 2.550 20 30 CFEDHM N#C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001231073215 777132890 /nfs/dbraw/zinc/13/28/90/777132890.db2.gz JVLJMTCACKLQIA-AWEZNQCLSA-N -1 3 277.287 2.510 20 30 CFEDHM N#C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001231073215 777132898 /nfs/dbraw/zinc/13/28/98/777132898.db2.gz JVLJMTCACKLQIA-AWEZNQCLSA-N -1 3 277.287 2.510 20 30 CFEDHM C=CC[C@@H](CCC)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074036 777133183 /nfs/dbraw/zinc/13/31/83/777133183.db2.gz QEOFWULLOWMIQZ-LBPRGKRZSA-N -1 3 258.325 2.990 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231076111 777134154 /nfs/dbraw/zinc/13/41/54/777134154.db2.gz IGBSXCXZKYRCJB-ZDUSSCGKSA-N -1 3 282.347 2.850 20 30 CFEDHM C=C[C@@H](C#CC(C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076111 777134159 /nfs/dbraw/zinc/13/41/59/777134159.db2.gz IGBSXCXZKYRCJB-ZDUSSCGKSA-N -1 3 282.347 2.850 20 30 CFEDHM CC#C[C@H](CC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231088403 777137796 /nfs/dbraw/zinc/13/77/96/777137796.db2.gz PEXDECVHTUKYSQ-VIFPVBQESA-N -1 3 297.738 2.798 20 30 CFEDHM C=CCS(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000710937454 777143695 /nfs/dbraw/zinc/14/36/95/777143695.db2.gz FSFUDXVOJSLKAO-UHFFFAOYSA-N -1 3 283.246 2.772 20 30 CFEDHM N#C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001231121586 777148483 /nfs/dbraw/zinc/14/84/83/777148483.db2.gz MPMJGEOEXGUWSA-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM N#C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001231121586 777148486 /nfs/dbraw/zinc/14/84/86/777148486.db2.gz MPMJGEOEXGUWSA-CQSZACIVSA-N -1 3 295.277 2.649 20 30 CFEDHM C[C@H](C#N)N(C)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231526286 777251897 /nfs/dbraw/zinc/25/18/97/777251897.db2.gz NFFRWMQCMWSISM-MRVPVSSYSA-N -1 3 258.243 2.755 20 30 CFEDHM Cc1cnc(=S)[n-]c1O[C@@H](C#N)c1ccccc1F ZINC001225741004 777253800 /nfs/dbraw/zinc/25/38/00/777253800.db2.gz MICWRDSUQLIOGT-NSHDSACASA-N -1 3 275.308 2.857 20 30 CFEDHM CCC[C@@H](Oc1nccc(/C=N/[O-])n1)[C@@H](C)CC ZINC001226257016 777490493 /nfs/dbraw/zinc/49/04/93/777490493.db2.gz XQJUZEBCFCQTEV-DLVFKZMPSA-N -1 3 251.330 2.878 20 30 CFEDHM O=C1C=C2CN(Cc3ccc([S-])cc3)CCC2S1 ZINC001233259563 777849678 /nfs/dbraw/zinc/84/96/78/777849678.db2.gz XKUJOOHPMPYNMS-ZDUSSCGKSA-N -1 3 277.414 2.749 20 30 CFEDHM N#Cc1ccc(CN2CCC(=O)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001233383419 777926190 /nfs/dbraw/zinc/92/61/90/777926190.db2.gz HJKNPOJVLDXKIJ-LSDHHAIUSA-N -1 3 284.359 2.597 20 30 CFEDHM C#C[C@H]1CCCN(Cc2ccc(OC)c([O-])c2Cl)C1 ZINC001233401018 777938418 /nfs/dbraw/zinc/93/84/18/777938418.db2.gz IVUBGIXUZURCDD-NSHDSACASA-N -1 3 279.767 2.899 20 30 CFEDHM N#CC=C([O-])c1ccccc1OC[C@H]1CCCCO1 ZINC001233524054 777978358 /nfs/dbraw/zinc/97/83/58/777978358.db2.gz JAAVSFBUHWYTLX-GFCCVEGCSA-N -1 3 259.305 2.731 20 30 CFEDHM N#CC=C([O-])c1ccccc1O[C@@H]1COc2cnccc21 ZINC001233527680 777980191 /nfs/dbraw/zinc/98/01/91/777980191.db2.gz BJFHEQXIOFJNFR-MRXNPFEDSA-N -1 3 280.283 2.690 20 30 CFEDHM N#Cc1cc([O-])cc(OC[C@H]2Cc3ccccc3O2)c1 ZINC001234138603 778173677 /nfs/dbraw/zinc/17/36/77/778173677.db2.gz BHMBDNYSYWPWHQ-OAHLLOKOSA-N -1 3 267.284 2.646 20 30 CFEDHM C#CC[C@H](C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791118 778298709 /nfs/dbraw/zinc/29/87/09/778298709.db2.gz KRLYLDNKKSCXPG-VIFPVBQESA-N -1 3 262.305 2.702 20 30 CFEDHM C=C[C@H](CC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234906416 778326934 /nfs/dbraw/zinc/32/69/34/778326934.db2.gz OGUIYJBWWIBYQM-MRVPVSSYSA-N -1 3 252.339 2.564 20 30 CFEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1ncccc1F ZINC001223975784 778379182 /nfs/dbraw/zinc/37/91/82/778379182.db2.gz FPBVUMICEJAVAS-FCZKIDGVSA-N -1 3 261.256 2.529 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436698373 778647458 /nfs/dbraw/zinc/64/74/58/778647458.db2.gz MBYHFHPDIRPJEK-JTQLQIEISA-N -1 3 277.320 2.596 20 30 CFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccoc1C ZINC000129874365 778870612 /nfs/dbraw/zinc/87/06/12/778870612.db2.gz LRCZXZQWPMWQBN-LBPRGKRZSA-N -1 3 298.298 2.558 20 30 CFEDHM COc1cc([O-])c(CN(C)[C@@H](C)C#N)c(Br)c1 ZINC001237067071 779004049 /nfs/dbraw/zinc/00/40/49/779004049.db2.gz FVGZZXJWHWXVAQ-QMMMGPOBSA-N -1 3 299.168 2.507 20 30 CFEDHM N#Cc1cnnc(-c2ccc([O-])cc2C(F)(F)F)c1 ZINC001205087142 779118728 /nfs/dbraw/zinc/11/87/28/779118728.db2.gz OPYLOXOZASPGCX-UHFFFAOYSA-N -1 3 265.194 2.740 20 30 CFEDHM C=CCOc1ccccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000176615367 779322641 /nfs/dbraw/zinc/32/26/41/779322641.db2.gz PKTPMQKPPNHSGV-UHFFFAOYSA-N -1 3 291.244 2.768 20 30 CFEDHM CN1CCOc2cc(-c3ccc4c(c3)CC/C4=N/[O-])cnc21 ZINC001239613463 779661630 /nfs/dbraw/zinc/66/16/30/779661630.db2.gz ACGBLCRLUPDARO-CYVLTUHYSA-N -1 3 295.342 2.702 20 30 CFEDHM CNC(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001240570062 780262693 /nfs/dbraw/zinc/26/26/93/780262693.db2.gz WZGURKVWQHQQNT-GIJQJNRQSA-N -1 3 272.279 2.660 20 30 CFEDHM COc1cc(C#N)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001241408371 780854362 /nfs/dbraw/zinc/85/43/62/780854362.db2.gz UGTNPHHVVNFQRO-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM COc1cc(C#N)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001241408371 780854364 /nfs/dbraw/zinc/85/43/64/780854364.db2.gz UGTNPHHVVNFQRO-UHFFFAOYSA-N -1 3 295.277 2.553 20 30 CFEDHM N#CCCc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001241443578 780892069 /nfs/dbraw/zinc/89/20/69/780892069.db2.gz HBAMFTJKYMUUHA-UHFFFAOYSA-N -1 3 275.315 2.990 20 30 CFEDHM N#CCCc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001241443578 780892078 /nfs/dbraw/zinc/89/20/78/780892078.db2.gz HBAMFTJKYMUUHA-UHFFFAOYSA-N -1 3 275.315 2.990 20 30 CFEDHM N#CCc1ccc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241444418 780894937 /nfs/dbraw/zinc/89/49/37/780894937.db2.gz BSMQOQCILCEHPJ-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1ccc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444418 780894945 /nfs/dbraw/zinc/89/49/45/780894945.db2.gz BSMQOQCILCEHPJ-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM SCc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001241446082 780900326 /nfs/dbraw/zinc/90/03/26/780900326.db2.gz JROBZILPHDSWTK-UHFFFAOYSA-N -1 3 268.345 2.964 20 30 CFEDHM SCc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241446082 780900332 /nfs/dbraw/zinc/90/03/32/780900332.db2.gz JROBZILPHDSWTK-UHFFFAOYSA-N -1 3 268.345 2.964 20 30 CFEDHM N#Cc1ccc2c(c1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137832815 780923314 /nfs/dbraw/zinc/92/33/14/780923314.db2.gz JFJDZPCLLKGBSL-UHFFFAOYSA-N -1 3 282.318 2.961 20 30 CFEDHM COC(=O)c1cc(C#N)ccc1Nc1cccc([O-])c1F ZINC001212552371 781048239 /nfs/dbraw/zinc/04/82/39/781048239.db2.gz OMPOLDWGWMRYKU-UHFFFAOYSA-N -1 3 286.262 2.933 20 30 CFEDHM COC(=O)c1cc(C#N)cc(Nc2cccc([O-])c2F)c1 ZINC001212552264 781050085 /nfs/dbraw/zinc/05/00/85/781050085.db2.gz IRFDAMGHDJEEOY-UHFFFAOYSA-N -1 3 286.262 2.933 20 30 CFEDHM COc1cccc(-c2ccc(-c3nnn[n-]3)cc2C)c1C#N ZINC001242299927 781379860 /nfs/dbraw/zinc/37/98/60/781379860.db2.gz AANMGHFWUIJTOC-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM COc1cccc(-c2ccc(-c3nn[n-]n3)cc2C)c1C#N ZINC001242299927 781379863 /nfs/dbraw/zinc/37/98/63/781379863.db2.gz AANMGHFWUIJTOC-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM Cc1ccc(C#N)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242542626 781581852 /nfs/dbraw/zinc/58/18/52/781581852.db2.gz MPYXVMGGWLMBRC-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242542626 781581860 /nfs/dbraw/zinc/58/18/60/781581860.db2.gz MPYXVMGGWLMBRC-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM N#Cc1cc(-c2ccc3ncc(C(N)=O)cc3c2)ccc1[O-] ZINC001242565110 781603693 /nfs/dbraw/zinc/60/36/93/781603693.db2.gz LYUGDOCQUWDMKY-UHFFFAOYSA-N -1 3 289.294 2.578 20 30 CFEDHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C)cc1C#N ZINC001242593827 781626306 /nfs/dbraw/zinc/62/63/06/781626306.db2.gz ZCHGKTDOFXGJLN-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C)cc1C#N ZINC001242593827 781626312 /nfs/dbraw/zinc/62/63/12/781626312.db2.gz ZCHGKTDOFXGJLN-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM C#C[C@@H](CCC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231090765 781906440 /nfs/dbraw/zinc/90/64/40/781906440.db2.gz LNKKRAZLZBYVQL-VIFPVBQESA-N -1 3 297.738 2.798 20 30 CFEDHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000594814722 349488394 /nfs/dbraw/zinc/48/83/94/349488394.db2.gz 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ZINC000041574039 346352619 /nfs/dbraw/zinc/35/26/19/346352619.db2.gz UBQZUNFGMUXFLS-AWEZNQCLSA-N -1 3 265.316 2.892 20 30 CFEDHM CCC[C@H](C#N)[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000091967088 347604826 /nfs/dbraw/zinc/60/48/26/347604826.db2.gz KXKGRONBLWVEIU-ZCFIWIBFSA-N -1 3 274.217 2.665 20 30 CFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000125576099 347828036 /nfs/dbraw/zinc/82/80/36/347828036.db2.gz PAQHISHKCGMKKC-VIFPVBQESA-N -1 3 298.795 2.536 20 30 CFEDHM Cc1cc(C)c(C[C@H](C(=O)N[O-])C(F)(F)F)c(C)c1 ZINC000671996717 539577223 /nfs/dbraw/zinc/57/72/23/539577223.db2.gz VHSKKYMWFGENOC-LLVKDONJSA-N -1 3 275.270 2.838 20 30 CFEDHM N#CC1(NC(=O)c2cc([O-])c3ccccc3c2)CCC1 ZINC000279619169 348340567 /nfs/dbraw/zinc/34/05/67/348340567.db2.gz UOEYCTMQBZKFKV-UHFFFAOYSA-N -1 3 266.300 2.721 20 30 CFEDHM C[C@H](CC#N)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280928956 348341982 /nfs/dbraw/zinc/34/19/82/348341982.db2.gz OVLCZMUKUCPBEH-LLVKDONJSA-N -1 3 268.316 2.920 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000324135488 348439175 /nfs/dbraw/zinc/43/91/75/348439175.db2.gz TZVXPTCYHCIEGI-GFCCVEGCSA-N -1 3 298.795 2.679 20 30 CFEDHM COC(=O)c1ccc(Sc2ccc([O-])cc2)c(C#N)n1 ZINC000589107356 348810960 /nfs/dbraw/zinc/81/09/60/348810960.db2.gz ROCQASOHOXSHBK-UHFFFAOYSA-N -1 3 286.312 2.597 20 30 CFEDHM Cc1cccc2cc(S(=O)(=O)[N-]C[C@@H](C)C#N)sc21 ZINC000592038847 349075865 /nfs/dbraw/zinc/07/58/65/349075865.db2.gz ITRFCZCEIQRZII-VIFPVBQESA-N -1 3 294.401 2.648 20 30 CFEDHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539026 349291512 /nfs/dbraw/zinc/29/15/12/349291512.db2.gz XATCVOKEFQAGJF-WDEREUQCSA-N -1 3 298.433 2.724 20 30 CFEDHM CSc1ccc([O-])c(C(=O)NCC2(CC#N)CC2)c1 ZINC000597612524 350116544 /nfs/dbraw/zinc/11/65/44/350116544.db2.gz YOXYYBZEBSWNJL-UHFFFAOYSA-N -1 3 276.361 2.538 20 30 CFEDHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)CC#N ZINC000597708191 350126665 /nfs/dbraw/zinc/12/66/65/350126665.db2.gz YSANMUAECQFFDH-SSDOTTSWSA-N -1 3 297.152 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352455916 /nfs/dbraw/zinc/45/59/16/352455916.db2.gz XHOZTWWXGOCTHW-UHFFFAOYSA-N -1 3 294.339 2.518 20 30 CFEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1cn[n-]n1 ZINC000616988903 352455918 /nfs/dbraw/zinc/45/59/18/352455918.db2.gz XHOZTWWXGOCTHW-UHFFFAOYSA-N -1 3 294.339 2.518 20 30 CFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000617041758 352477419 /nfs/dbraw/zinc/47/74/19/352477419.db2.gz IMSOKWPAHFFFJV-ZJUUUORDSA-N -1 3 266.366 2.713 20 30 CFEDHM C=CCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000617617356 352605734 /nfs/dbraw/zinc/60/57/34/352605734.db2.gz CJRSOGNTMOIKHY-UHFFFAOYSA-N -1 3 251.301 2.546 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000617781052 352644231 /nfs/dbraw/zinc/64/42/31/352644231.db2.gz CVCIAJPSRIUGSV-GFCCVEGCSA-N -1 3 275.348 2.829 20 30 CFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 ZINC000617787081 352647096 /nfs/dbraw/zinc/64/70/96/352647096.db2.gz HDVXOGJKVQCWRC-LBPRGKRZSA-N -1 3 275.348 2.829 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(OC)cc2[O-])C1 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O=C(Nc1nnc(-c2ccco2)[n-]1)c1n[nH]c2ccccc21 ZINC000073974268 541221892 /nfs/dbraw/zinc/22/18/92/541221892.db2.gz HFXSMXWLXGCXSB-UHFFFAOYSA-N -1 3 294.274 2.577 20 30 CFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1n[nH]c2ccccc21 ZINC000073974268 541221894 /nfs/dbraw/zinc/22/18/94/541221894.db2.gz HFXSMXWLXGCXSB-UHFFFAOYSA-N -1 3 294.274 2.577 20 30 CFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1n[nH]c2ccccc21 ZINC000073974268 541221898 /nfs/dbraw/zinc/22/18/98/541221898.db2.gz HFXSMXWLXGCXSB-UHFFFAOYSA-N -1 3 294.274 2.577 20 30 CFEDHM N#Cc1cscc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000432886811 240062899 /nfs/dbraw/zinc/06/28/99/240062899.db2.gz PIFLAQFABVAVAO-UHFFFAOYSA-N -1 3 286.288 2.661 20 30 CFEDHM CC1CCC(C)([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435438275 240315882 /nfs/dbraw/zinc/31/58/82/240315882.db2.gz NOVCZYLVQFHOSN-UHFFFAOYSA-N -1 3 298.433 2.867 20 30 CFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000444227391 241127052 /nfs/dbraw/zinc/12/70/52/241127052.db2.gz YYMAQGXVMQVRME-NXEZZACHSA-N -1 3 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CC(C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000331261560 378659721 /nfs/dbraw/zinc/65/97/21/378659721.db2.gz CODCKCYAHHHPDW-VIFPVBQESA-N -1 3 286.784 2.534 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2F)c([O-])c1 ZINC000161322120 378839847 /nfs/dbraw/zinc/83/98/47/378839847.db2.gz DRETUPOGVASULL-CQSZACIVSA-N -1 3 284.290 2.834 20 30 CFEDHM C=CCC(CC=C)C(=O)[N-]OCCC(F)(F)F ZINC000162693921 378925684 /nfs/dbraw/zinc/92/56/84/378925684.db2.gz YVXZJYJZRWRNCS-UHFFFAOYSA-N -1 3 251.248 2.755 20 30 CFEDHM N#Cc1ccccc1C[S@@](=O)c1ccc([O-])cc1 ZINC000335312744 379065457 /nfs/dbraw/zinc/06/54/57/379065457.db2.gz KXYBOOUNLPIEIK-GOSISDBHSA-N -1 3 257.314 2.572 20 30 CFEDHM CC(C)Oc1cccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000167142395 379068731 /nfs/dbraw/zinc/06/87/31/379068731.db2.gz SQOBUGDJEQOBSN-GFCCVEGCSA-N -1 3 281.315 2.754 20 30 CFEDHM CCCOc1ccc(/C=N/[C@@H]2CCCOC2)c([O-])c1 ZINC000171647962 379363571 /nfs/dbraw/zinc/36/35/71/379363571.db2.gz WQQZWXHAQHWXGO-BVTUPMQUSA-N -1 3 263.337 2.779 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)C(C)(C)C#N)c1[O-] ZINC000175835674 380140410 /nfs/dbraw/zinc/14/04/10/380140410.db2.gz ANZLBJXDFRSCQF-UHFFFAOYSA-N -1 3 252.701 2.842 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000336566397 380477634 /nfs/dbraw/zinc/47/76/34/380477634.db2.gz PEINERRQSWSQJR-LBPRGKRZSA-N -1 3 278.327 2.781 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000180847311 380706303 /nfs/dbraw/zinc/70/63/03/380706303.db2.gz PRYAFAPTRRMLHO-NSHDSACASA-N -1 3 271.357 2.849 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)c(C)c1 ZINC000354455936 381281618 /nfs/dbraw/zinc/28/16/18/381281618.db2.gz BRZMEWXWCKHJQR-CYBMUJFWSA-N -1 3 251.289 2.584 20 30 CFEDHM CCOc1cc(C([O-])=C(C#N)c2ccncn2)ccc1C ZINC000354458360 381285020 /nfs/dbraw/zinc/28/50/20/381285020.db2.gz DEBJFGOVDURYKG-ZDUSSCGKSA-N -1 3 281.315 2.674 20 30 CFEDHM C=C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000290194659 381337614 /nfs/dbraw/zinc/33/76/14/381337614.db2.gz HFEDMXFTIQQRFS-UHFFFAOYSA-N -1 3 251.713 2.838 20 30 CFEDHM CC(C)ON=C([O-])Nc1cc(C#N)ccc1OC(C)C ZINC000296507035 381424628 /nfs/dbraw/zinc/42/46/28/381424628.db2.gz OJUPJFCNDBESNO-UHFFFAOYSA-N -1 3 277.324 2.807 20 30 CFEDHM CC(C)O[N-]C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000296507035 381424632 /nfs/dbraw/zinc/42/46/32/381424632.db2.gz OJUPJFCNDBESNO-UHFFFAOYSA-N -1 3 277.324 2.807 20 30 CFEDHM CCC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185083829 381531342 /nfs/dbraw/zinc/53/13/42/381531342.db2.gz FXSVVFRILCMJRZ-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000413005664 381533974 /nfs/dbraw/zinc/53/39/74/381533974.db2.gz ZOXQIYLNFCDWCB-UHFFFAOYSA-N -1 3 285.278 2.649 20 30 CFEDHM C#CCO[N-]C(=O)CCCCOc1cc(C)ccc1C ZINC000291262371 381726148 /nfs/dbraw/zinc/72/61/48/381726148.db2.gz NBBXPRPFTXLXNR-UHFFFAOYSA-N -1 3 275.348 2.534 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(F)ccc1F ZINC000293052964 381969463 /nfs/dbraw/zinc/96/94/63/381969463.db2.gz KYDKJHZWUYOKAW-UHFFFAOYSA-N -1 3 261.218 2.792 20 30 CFEDHM 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ISLNBLDPPGBUQD-CYBMUJFWSA-N -1 3 263.300 2.844 20 30 CFEDHM COCc1nc(SCC#Cc2ccccc2Cl)n[n-]1 ZINC000446974380 382993688 /nfs/dbraw/zinc/99/36/88/382993688.db2.gz IJNFJCKQWYWTNO-UHFFFAOYSA-N -1 3 293.779 2.748 20 30 CFEDHM C=CCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000579376121 383010816 /nfs/dbraw/zinc/01/08/16/383010816.db2.gz GLEVOAADPZPJJO-UHFFFAOYSA-N -1 3 296.367 2.722 20 30 CFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000339371898 383192380 /nfs/dbraw/zinc/19/23/80/383192380.db2.gz ANCLZVHNPDYEKQ-MRVPVSSYSA-N -1 3 277.748 2.722 20 30 CFEDHM C=CCN(Cc1ccccc1)Cc1ncccc1[O-] ZINC000561943435 383156174 /nfs/dbraw/zinc/15/61/74/383156174.db2.gz QODCLGNKBWCNOC-UHFFFAOYSA-N -1 3 254.333 2.975 20 30 CFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000566951618 383227780 /nfs/dbraw/zinc/22/77/80/383227780.db2.gz NYEBOYGUJZYKPB-UHFFFAOYSA-N -1 3 296.367 2.578 20 30 CFEDHM N#Cc1cc(C(=O)[N-]c2nnc(C(F)F)s2)ccc1F ZINC000341115777 383570402 /nfs/dbraw/zinc/57/04/02/383570402.db2.gz 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ZINC000346194860 393922842 /nfs/dbraw/zinc/92/28/42/393922842.db2.gz NVUIKSZHVMZPCJ-UHFFFAOYSA-N -1 3 287.363 3.000 20 30 CFEDHM C=C(C)CN(CC)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000346194860 393922846 /nfs/dbraw/zinc/92/28/46/393922846.db2.gz NVUIKSZHVMZPCJ-UHFFFAOYSA-N -1 3 287.363 3.000 20 30 CFEDHM COc1cc(CNC(=O)c2ccc([O-])c(C)c2)ccc1C#N ZINC000436800659 394021733 /nfs/dbraw/zinc/02/17/33/394021733.db2.gz WXYOHMBWAKXAIA-UHFFFAOYSA-N -1 3 296.326 2.511 20 30 CFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)CC ZINC000126236711 394023354 /nfs/dbraw/zinc/02/33/54/394023354.db2.gz JGAJGUJKDAOKON-SNVBAGLBSA-N -1 3 282.290 2.595 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(Cl)c1 ZINC000417632824 393987824 /nfs/dbraw/zinc/98/78/24/393987824.db2.gz XJBRBLIFHBHYCS-GFCCVEGCSA-N -1 3 253.729 2.849 20 30 CFEDHM N#Cc1cccc(C2(NC(=O)c3ccccc3[O-])CC2)c1 ZINC000436966414 394039727 /nfs/dbraw/zinc/03/97/27/394039727.db2.gz QERDDZVLOXFMAC-UHFFFAOYSA-N -1 3 278.311 2.683 20 30 CFEDHM C#C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000491630148 394054746 /nfs/dbraw/zinc/05/47/46/394054746.db2.gz OWEKNURHLWEMKX-JTQLQIEISA-N -1 3 292.747 2.606 20 30 CFEDHM C=CC[C@H](CC)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000281948187 394099453 /nfs/dbraw/zinc/09/94/53/394099453.db2.gz SUKZAYLRPWIZHY-NSHDSACASA-N -1 3 266.316 2.685 20 30 CFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000126636027 394032490 /nfs/dbraw/zinc/03/24/90/394032490.db2.gz MRLSYYSYBMQYIG-UHFFFAOYSA-N -1 3 289.759 2.561 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCCCc1ccsc1 ZINC000360937159 394161288 /nfs/dbraw/zinc/16/12/88/394161288.db2.gz YFGHOVRFYOTPQT-UHFFFAOYSA-N -1 3 281.406 2.956 20 30 CFEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151059213 394259999 /nfs/dbraw/zinc/25/99/99/394259999.db2.gz PDPKZPJCWCNDMD-CMPLNLGQSA-N -1 3 296.367 2.554 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1c(C)nn(CCCC)c1Cl ZINC000493685603 394308927 /nfs/dbraw/zinc/30/89/27/394308927.db2.gz FGYNQGSQEJKMBA-FPLPWBNLSA-N -1 3 297.786 2.892 20 30 CFEDHM CCO[C@@H](CC/N=C/c1ccc(O)c([O-])c1O)C(C)C ZINC000173954536 394377165 /nfs/dbraw/zinc/37/71/65/394377165.db2.gz XHNWCDFNDICWAO-WFSQQTBHSA-N -1 3 281.352 2.674 20 30 CFEDHM Cc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1C ZINC000047375937 397585203 /nfs/dbraw/zinc/58/52/03/397585203.db2.gz KCIUSRRCGHDDLS-ZDUSSCGKSA-N -1 3 290.326 2.767 20 30 CFEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000657036221 413292874 /nfs/dbraw/zinc/29/28/74/413292874.db2.gz BLPHEMIMNAIMHS-RYUDHWBXSA-N -1 3 269.366 2.693 20 30 CFEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000657036222 413293855 /nfs/dbraw/zinc/29/38/55/413293855.db2.gz BLPHEMIMNAIMHS-VXGBXAGGSA-N -1 3 269.366 2.693 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)C2(c3cccc(C#N)c3)CC2)n1 ZINC000345945185 162282368 /nfs/dbraw/zinc/28/23/68/162282368.db2.gz SHDUDVGOUDBOJY-UHFFFAOYSA-N -1 3 293.326 2.638 20 30 CFEDHM Cc1cccc([O-])c1NC(=O)c1ncc(C#N)cc1Cl ZINC000352687151 163223442 /nfs/dbraw/zinc/22/34/42/163223442.db2.gz PNSOQNJEGLSPJZ-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)c1 ZINC000007428169 170284843 /nfs/dbraw/zinc/28/48/43/170284843.db2.gz NHSDHQZENHVNTC-UHFFFAOYSA-N -1 3 290.319 2.807 20 30 CFEDHM COC(=O)c1cncc(-c2ccc(/C(C)=N/[O-])cc2)c1 ZINC001243150356 782020333 /nfs/dbraw/zinc/02/03/33/782020333.db2.gz KWJROTYAKNTJOI-LICLKQGHSA-N -1 3 270.288 2.733 20 30 CFEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000034956112 171901894 /nfs/dbraw/zinc/90/18/94/171901894.db2.gz DKAFXPOFSMLYJE-UHFFFAOYSA-N -1 3 263.256 2.981 20 30 CFEDHM C=CCCCCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000655246976 414156421 /nfs/dbraw/zinc/15/64/21/414156421.db2.gz FYJYWZLVIJDXEU-UHFFFAOYSA-N -1 3 290.363 2.827 20 30 CFEDHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C1(C#N)CCC1 ZINC000344830468 225174612 /nfs/dbraw/zinc/17/46/12/225174612.db2.gz MLNDFFNFBWAPEF-UHFFFAOYSA-N -1 3 290.338 2.759 20 30 CFEDHM COC(=O)c1cc(C#N)cc(-c2ccc([O-])c(F)c2)c1 ZINC001240786843 782032842 /nfs/dbraw/zinc/03/28/42/782032842.db2.gz XTHQVENIYZIAQN-UHFFFAOYSA-N -1 3 271.247 2.857 20 30 CFEDHM COc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)c1[O-] ZINC000040360076 260221851 /nfs/dbraw/zinc/22/18/51/260221851.db2.gz WWUWEDIJLKBIFM-CYBMUJFWSA-N -1 3 288.347 2.603 20 30 CFEDHM Cc1cccc(C(=O)N[C@@H](C#N)C2CCCCC2)c1[O-] ZINC000040360081 260221910 /nfs/dbraw/zinc/22/19/10/260221910.db2.gz MXAWDIMNUVAQAY-AWEZNQCLSA-N -1 3 272.348 2.903 20 30 CFEDHM CC(C)(C)[C@@H](C#N)[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000087366728 260406606 /nfs/dbraw/zinc/40/66/06/260406606.db2.gz FFQXGFFQBPOUIB-MRVPVSSYSA-N -1 3 288.244 2.911 20 30 CFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188448675 262156055 /nfs/dbraw/zinc/15/60/55/262156055.db2.gz RAQSMARUZAURTQ-MRVPVSSYSA-N -1 3 292.813 2.681 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000116905347 262189812 /nfs/dbraw/zinc/18/98/12/262189812.db2.gz UCKCGUSSLDHLJX-QMMMGPOBSA-N -1 3 277.748 2.722 20 30 CFEDHM CC#CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000498879560 262225793 /nfs/dbraw/zinc/22/57/93/262225793.db2.gz GKBACPXYNQXWEE-UHFFFAOYSA-N -1 3 292.187 2.685 20 30 CFEDHM C=C(C)CS(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000336404192 262256354 /nfs/dbraw/zinc/25/63/54/262256354.db2.gz VINFRNROASIYFV-UHFFFAOYSA-N -1 3 281.711 2.936 20 30 CFEDHM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000187242324 262395192 /nfs/dbraw/zinc/39/51/92/262395192.db2.gz NWPBWTRRPFQWCW-OAHLLOKOSA-N -1 3 293.326 2.839 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000353180812 263023407 /nfs/dbraw/zinc/02/34/07/263023407.db2.gz NTVYIXQQVNHADG-SNVBAGLBSA-N -1 3 289.347 2.906 20 30 CFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000353182534 263029942 /nfs/dbraw/zinc/02/99/42/263029942.db2.gz NTXZCTAFODRUTM-LLVKDONJSA-N -1 3 275.320 2.598 20 30 CFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000452041606 263031820 /nfs/dbraw/zinc/03/18/20/263031820.db2.gz MGGBTNHIWARTIS-UHFFFAOYSA-N -1 3 293.310 2.950 20 30 CFEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)ccc1[O-] ZINC000277434114 263041264 /nfs/dbraw/zinc/04/12/64/263041264.db2.gz DVOCROWWBQDOIB-CQSZACIVSA-N -1 3 272.348 2.855 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/C[C@@H]2CCC(F)(F)C2)c1O ZINC000280449981 263061672 /nfs/dbraw/zinc/06/16/72/263061672.db2.gz VGUWUXAJJCYBNK-XUNMKLQISA-N -1 3 271.263 2.658 20 30 CFEDHM C[C@@H](C#N)CN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280562439 263063068 /nfs/dbraw/zinc/06/30/68/263063068.db2.gz KZNPDLXJQMOIJM-QMMMGPOBSA-N -1 3 286.253 2.643 20 30 CFEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000281103770 263066528 /nfs/dbraw/zinc/06/65/28/263066528.db2.gz WKGXLDXEWQVCDQ-GFYVXCQASA-N -1 3 298.180 2.999 20 30 CFEDHM COC1(C/N=C/c2ccc(O)c([O-])c2O)CCC(C)CC1 ZINC000281174013 263066923 /nfs/dbraw/zinc/06/69/23/263066923.db2.gz QCHGZUAFGOULPN-RQZCQDPDSA-N -1 3 293.363 2.818 20 30 CFEDHM C=C[C@@H](CC(=O)Nc1nnc(SC)[n-]1)c1ccccc1 ZINC000340127901 263074621 /nfs/dbraw/zinc/07/46/21/263074621.db2.gz ZMCIGDDKYAWNPE-JTQLQIEISA-N -1 3 288.376 2.825 20 30 CFEDHM C=C[C@@H](CC(=O)Nc1nc(SC)n[n-]1)c1ccccc1 ZINC000340127901 263074622 /nfs/dbraw/zinc/07/46/22/263074622.db2.gz ZMCIGDDKYAWNPE-JTQLQIEISA-N -1 3 288.376 2.825 20 30 CFEDHM C=C[C@@H](CC(=O)Nc1n[n-]c(SC)n1)c1ccccc1 ZINC000340127901 263074623 /nfs/dbraw/zinc/07/46/23/263074623.db2.gz ZMCIGDDKYAWNPE-JTQLQIEISA-N -1 3 288.376 2.825 20 30 CFEDHM CSC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000289889021 263112839 /nfs/dbraw/zinc/11/28/39/263112839.db2.gz JGXMFUKYSSQKGK-ZDUSSCGKSA-N -1 3 298.358 2.848 20 30 CFEDHM N#CCN(Cc1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000290369992 263116344 /nfs/dbraw/zinc/11/63/44/263116344.db2.gz HOXNHSBJFORJPY-UHFFFAOYSA-N -1 3 270.254 2.899 20 30 CFEDHM CCN(CC#N)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290553562 263117365 /nfs/dbraw/zinc/11/73/65/263117365.db2.gz WXRKZZBHIOBSSV-UHFFFAOYSA-N -1 3 258.243 2.756 20 30 CFEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@]2(C#N)CC2(C)C)cc1 ZINC000291406525 263122301 /nfs/dbraw/zinc/12/23/01/263122301.db2.gz INTWXIWWSQZBPL-AWEZNQCLSA-N -1 3 278.302 2.895 20 30 CFEDHM N#CC[C@@H]1CC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000295117375 263172565 /nfs/dbraw/zinc/17/25/65/263172565.db2.gz VZJSRBKGKJKAFV-UWVGGRQHSA-N -1 3 266.291 2.842 20 30 CFEDHM CC1(C#N)CN(Cc2cc([O-])ccc2Br)C1 ZINC000297330613 263203382 /nfs/dbraw/zinc/20/33/82/263203382.db2.gz DHBWYRWLGOATLE-UHFFFAOYSA-N -1 3 281.153 2.500 20 30 CFEDHM N#CC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000298108047 263215384 /nfs/dbraw/zinc/21/53/84/263215384.db2.gz ONQFUWUFQSQFRP-UHFFFAOYSA-N -1 3 295.342 2.897 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OCCC ZINC000120301710 263285145 /nfs/dbraw/zinc/28/51/45/263285145.db2.gz ODUOAMOHBLARAC-UHFFFAOYSA-N -1 3 287.356 2.932 20 30 CFEDHM CCc1ccc(C(=O)NC[C@H]2CCCCO2)c([O-])c1 ZINC000331235490 264174468 /nfs/dbraw/zinc/17/44/68/264174468.db2.gz LPFQEPUZQMZITB-GFCCVEGCSA-N -1 3 263.337 2.828 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C)C[C@H]2CCCO2)c([O-])c1 ZINC000331244547 264178474 /nfs/dbraw/zinc/17/84/74/264178474.db2.gz SPDKHSLCKMGKNC-VXGBXAGGSA-N -1 3 263.337 2.963 20 30 CFEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)cc1[O-] ZINC000331339404 264194388 /nfs/dbraw/zinc/19/43/88/264194388.db2.gz JSKITYMCVAENSH-LBPRGKRZSA-N -1 3 291.347 2.857 20 30 CFEDHM Cn1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000357793470 266363377 /nfs/dbraw/zinc/36/33/77/266363377.db2.gz HQDMRYMTGVQOBW-NSHDSACASA-N -1 3 293.248 2.929 20 30 CFEDHM COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1[O-] ZINC000526942912 270487335 /nfs/dbraw/zinc/48/73/35/270487335.db2.gz QUATWPVPLSGEMA-UHFFFAOYSA-N -1 3 282.299 2.549 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)c1ccc([O-])c(OC)c1 ZINC000336528827 276924062 /nfs/dbraw/zinc/92/40/62/276924062.db2.gz BEYKAROBCBTNNQ-LBPRGKRZSA-N -1 3 261.321 2.582 20 30 CFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2C[C@H]2C)no1 ZINC000546473404 281710199 /nfs/dbraw/zinc/71/01/99/281710199.db2.gz PNWBFLCYJYGALP-PRHODGIISA-N -1 3 298.346 2.567 20 30 CFEDHM CCCCCCCCC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273195015 328204584 /nfs/dbraw/zinc/20/45/84/328204584.db2.gz HLOZOTOQAJBSIA-UHFFFAOYSA-N -1 3 291.395 2.818 20 30 CFEDHM CCN(CCC#N)Cc1cc(Cl)cc(OC)c1[O-] ZINC000273700895 328205844 /nfs/dbraw/zinc/20/58/44/328205844.db2.gz DEWMYYQHEXVOAZ-UHFFFAOYSA-N -1 3 268.744 2.790 20 30 CFEDHM CC(C)O[C@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000274200832 328209438 /nfs/dbraw/zinc/20/94/38/328209438.db2.gz MXBXJANOLJPTKJ-USBFOUBNSA-N -1 3 293.363 2.814 20 30 CFEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000278834699 328230832 /nfs/dbraw/zinc/23/08/32/328230832.db2.gz VKMJEDOXCHCDPE-CQSZACIVSA-N -1 3 295.333 2.926 20 30 CFEDHM COc1cc(-c2noc(-c3cc(C#N)oc3C)n2)ccc1[O-] ZINC000350574246 324234964 /nfs/dbraw/zinc/23/49/64/324234964.db2.gz HBQRPOBADZZCPR-UHFFFAOYSA-N -1 3 297.270 2.891 20 30 CFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000152727699 327291082 /nfs/dbraw/zinc/29/10/82/327291082.db2.gz FMUGWLUTQBFHDX-SSDOTTSWSA-N -1 3 297.273 2.697 20 30 CFEDHM C=CCC1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCCC1 ZINC000570249573 327578751 /nfs/dbraw/zinc/57/87/51/327578751.db2.gz JVFCWDHXYHDQHX-ZDUSSCGKSA-N -1 3 289.379 2.758 20 30 CFEDHM COCc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000181410780 329236620 /nfs/dbraw/zinc/23/66/20/329236620.db2.gz WOGMXAODSLOTLV-LLVKDONJSA-N -1 3 272.329 2.780 20 30 CFEDHM COCc1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000181410763 329236629 /nfs/dbraw/zinc/23/66/29/329236629.db2.gz WOGMXAODSLOTLV-NSHDSACASA-N -1 3 272.329 2.780 20 30 CFEDHM N#CCCCOc1cccnc1NC(=O)c1cccc([O-])c1 ZINC000182305089 329241653 /nfs/dbraw/zinc/24/16/53/329241653.db2.gz YRZUJMDXNBZKDN-UHFFFAOYSA-N -1 3 297.314 2.722 20 30 CFEDHM CCc1ccc(C([O-])=C(C#N)c2ccccn2)c(C)n1 ZINC000184550901 329259850 /nfs/dbraw/zinc/25/98/50/329259850.db2.gz ILEDMNBXAGRHKF-AWEZNQCLSA-N -1 3 265.316 2.838 20 30 CFEDHM C=C[C@@H](C)NCc1cccc([O-])c1Br ZINC000314902852 330466461 /nfs/dbraw/zinc/46/64/61/330466461.db2.gz AFVDCWSTBIBZAJ-MRVPVSSYSA-N -1 3 256.143 2.819 20 30 CFEDHM C=CC[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436551003 330679933 /nfs/dbraw/zinc/67/99/33/330679933.db2.gz VRZZANTXMRIGAR-NSHDSACASA-N -1 3 259.349 2.965 20 30 CFEDHM C=C(C)COCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436586937 330680814 /nfs/dbraw/zinc/68/08/14/330680814.db2.gz NYTSRQKYWHVLHM-UHFFFAOYSA-N -1 3 277.364 2.838 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1ccc([O-])c(OC)c1 ZINC000442803775 330784784 /nfs/dbraw/zinc/78/47/84/330784784.db2.gz XPNRFMJFUDKYLN-NSHDSACASA-N -1 3 263.337 2.875 20 30 CFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000451815396 331043513 /nfs/dbraw/zinc/04/35/13/331043513.db2.gz ZQNABFSGAJVKHH-UHFFFAOYSA-N -1 3 279.814 2.892 20 30 CFEDHM C=CCC1([N-]S(=O)(=O)c2cncc(F)c2)CCCCC1 ZINC000451941426 331047742 /nfs/dbraw/zinc/04/77/42/331047742.db2.gz OJELFEJMQRVMRQ-UHFFFAOYSA-N -1 3 298.383 2.778 20 30 CFEDHM C=CC(C)(C)CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000455374334 331167698 /nfs/dbraw/zinc/16/76/98/331167698.db2.gz XKAWPIDIKIXBSJ-UHFFFAOYSA-N -1 3 266.316 2.543 20 30 CFEDHM CCc1ccc([C@H](C#N)NC(=O)c2cccc([O-])c2)cc1 ZINC000489958169 332074558 /nfs/dbraw/zinc/07/45/58/332074558.db2.gz WLXXMXVPBHDDJP-INIZCTEOSA-N -1 3 280.327 2.949 20 30 CFEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000491095950 332148834 /nfs/dbraw/zinc/14/88/34/332148834.db2.gz NXIIQZOBVIMSLQ-UHFFFAOYSA-N -1 3 295.338 2.676 20 30 CFEDHM C#CCN(Cc1ncccc1[O-])[C@@H]1CCc2ccccc21 ZINC000491728512 332311229 /nfs/dbraw/zinc/31/12/29/332311229.db2.gz MKJRZBSZFQLLCJ-QGZVFWFLSA-N -1 3 278.355 2.910 20 30 CFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccc(Cl)cc1 ZINC000491752727 332328393 /nfs/dbraw/zinc/32/83/93/332328393.db2.gz ZCGNIRPGPJBIJF-ZDUSSCGKSA-N -1 3 295.747 2.586 20 30 CFEDHM Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000178316066 333070867 /nfs/dbraw/zinc/07/08/67/333070867.db2.gz GPZRALBTHHYWHF-ZDUSSCGKSA-N -1 3 290.326 2.767 20 30 CFEDHM CC[C@@H](CC#N)NC(=O)c1cc([O-])cc(Br)c1 ZINC000529035412 333469598 /nfs/dbraw/zinc/46/95/98/333469598.db2.gz IWKNBYATKFYSOX-JTQLQIEISA-N -1 3 297.152 2.577 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000529510412 333491848 /nfs/dbraw/zinc/49/18/48/333491848.db2.gz BGJBTAYULQKTJO-KWCYVHTRSA-N -1 3 277.751 2.850 20 30 CFEDHM C=CCn1cccc1C(=O)Nc1cccc([O-])c1F ZINC000555562608 334482040 /nfs/dbraw/zinc/48/20/40/334482040.db2.gz CFJDNGGWUNSADE-UHFFFAOYSA-N -1 3 260.268 2.771 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000578510231 335643085 /nfs/dbraw/zinc/64/30/85/335643085.db2.gz KXTIQLDLJSVSID-IUODEOHRSA-N -1 3 289.331 2.515 20 30 CFEDHM C=CCC1(C(=O)N=c2cc3ccccn3[n-]2)CCCC1 ZINC000581589677 336108064 /nfs/dbraw/zinc/10/80/64/336108064.db2.gz LYEUSFSCOVULDW-UHFFFAOYSA-N -1 3 269.348 2.831 20 30 CFEDHM [O-]/N=C1/CCc2cc(-c3cnc(N4CCCC4)nc3)ccc21 ZINC001243315484 782131293 /nfs/dbraw/zinc/13/12/93/782131293.db2.gz FDSZLNUAQQJISS-SILNSSARSA-N -1 3 294.358 2.868 20 30 CFEDHM C=CCCCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000447814272 500571193 /nfs/dbraw/zinc/57/11/93/500571193.db2.gz XHUQAEJJCXKZCQ-UHFFFAOYSA-N -1 3 284.363 2.607 20 30 CFEDHM COc1ccc(NC(=O)[C@H]2CCCN2C2CC2)c([O-])c1 ZINC000330222713 534024523 /nfs/dbraw/zinc/02/45/23/534024523.db2.gz MRZGPJQYJMNAGN-CYBMUJFWSA-N -1 3 276.336 2.616 20 30 CFEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(C)cn1 ZINC000329577960 534385525 /nfs/dbraw/zinc/38/55/25/534385525.db2.gz KLIRCSVJDDGZNR-UHFFFAOYSA-N -1 3 258.281 2.595 20 30 CFEDHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169264173 519813146 /nfs/dbraw/zinc/81/31/46/519813146.db2.gz KQCMYTSHMLKTHU-VIFPVBQESA-N -1 3 286.784 2.534 20 30 CFEDHM Cc1cccc(C([O-])=C(C#N)c2ccncn2)c1C ZINC000354464684 534628740 /nfs/dbraw/zinc/62/87/40/534628740.db2.gz KITSLDAGTVNPGW-ZDUSSCGKSA-N -1 3 251.289 2.584 20 30 CFEDHM N#Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000050926084 526610071 /nfs/dbraw/zinc/61/00/71/526610071.db2.gz RXAYQRTZWCHLCN-UHFFFAOYSA-N -1 3 272.348 2.635 20 30 CFEDHM N#Cc1ccccc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050924984 526734999 /nfs/dbraw/zinc/73/49/99/526734999.db2.gz GYMBEEUOTSKOSW-OAHLLOKOSA-N -1 3 272.348 2.778 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000353193124 527162960 /nfs/dbraw/zinc/16/29/60/527162960.db2.gz RJKMQFOETFVKNL-NSHDSACASA-N -1 3 271.357 2.767 20 30 CFEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000344741086 527207562 /nfs/dbraw/zinc/20/75/62/527207562.db2.gz OUZPCHYHUDBKCQ-LLVKDONJSA-N -1 3 270.313 2.836 20 30 CFEDHM CC(C)OCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354472700 528033549 /nfs/dbraw/zinc/03/35/49/528033549.db2.gz UXPZVKISIJQUNH-HNNXBMFYSA-N -1 3 295.342 2.892 20 30 CFEDHM CC(C)Oc1cc(C([O-])=C(C#N)c2ccccn2)ccn1 ZINC000347772502 528103726 /nfs/dbraw/zinc/10/37/26/528103726.db2.gz BYRSQWSDMSCCLX-CYBMUJFWSA-N -1 3 281.315 2.754 20 30 CFEDHM CCN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354911674 528372135 /nfs/dbraw/zinc/37/21/35/528372135.db2.gz DOUWAOOUVDKZJW-UHFFFAOYSA-N -1 3 268.316 2.921 20 30 CFEDHM N#CC1(C(=O)Nc2cc(F)ccc2[O-])CCSCC1 ZINC000935100550 649875563 /nfs/dbraw/zinc/87/55/63/649875563.db2.gz PXYZHWKXZXLCND-UHFFFAOYSA-N -1 3 280.324 2.507 20 30 CFEDHM N#CC1(C(=O)Nc2cccc([O-])c2F)CCSCC1 ZINC000935138628 649879297 /nfs/dbraw/zinc/87/92/97/649879297.db2.gz WURFGPPKTISSAG-UHFFFAOYSA-N -1 3 280.324 2.507 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@H]1CCOC(C)(C)C1 ZINC000753885589 574052410 /nfs/dbraw/zinc/05/24/10/574052410.db2.gz RLKIJMDCDGGUHQ-YAFRSCOQSA-N -1 3 263.337 2.777 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000753885349 574053152 /nfs/dbraw/zinc/05/31/52/574053152.db2.gz NTLVPVDZINXHRX-JWCDYJIOSA-N -1 3 287.359 2.777 20 30 CFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])C3=COCCC3)nc21 ZINC000744159346 574057128 /nfs/dbraw/zinc/05/71/28/574057128.db2.gz BTQSFRXSRXZKBW-LBPRGKRZSA-N -1 3 281.315 2.742 20 30 CFEDHM C[C@@H]1C[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000727685536 574060355 /nfs/dbraw/zinc/06/03/55/574060355.db2.gz QRQOTWCTUONNAY-XPCZYIJBSA-N -1 3 254.127 2.982 20 30 CFEDHM CC1(C)OCC(/N=C\c2cc(Cl)ccc2[O-])CO1 ZINC000753994346 574062353 /nfs/dbraw/zinc/06/23/53/574062353.db2.gz KRFUCVWRHRTXDD-UUASQNMZSA-N -1 3 269.728 2.616 20 30 CFEDHM CCCCCCC[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000736631029 574062459 /nfs/dbraw/zinc/06/24/59/574062459.db2.gz CPYFKKKBYXBWFT-GFCCVEGCSA-N -1 3 287.429 2.685 20 30 CFEDHM CC(C)N1CC(N=Nc2cccc(C(=O)[O-])c2)[C@H](C)C1 ZINC000754255744 574084708 /nfs/dbraw/zinc/08/47/08/574084708.db2.gz RTSWFIZQVLLZNT-LLVKDONJSA-N -1 3 275.352 2.513 20 30 CFEDHM Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728231248 574088209 /nfs/dbraw/zinc/08/82/09/574088209.db2.gz KEXFHRRFFOQOBK-FNORWQNLSA-N -1 3 256.305 2.937 20 30 CFEDHM CCc1nc2ccccc2n1N=Cc1nc(C)ccc1[O-] ZINC000728778747 574108519 /nfs/dbraw/zinc/10/85/19/574108519.db2.gz GLEMDUBVPZIMCO-UHFFFAOYSA-N -1 3 280.331 2.890 20 30 CFEDHM Cc1ccc([O-])c(C=NNc2ccc(F)cc2F)n1 ZINC000728778997 574108551 /nfs/dbraw/zinc/10/85/51/574108551.db2.gz XFGIHHRZPJOLIY-UHFFFAOYSA-N -1 3 263.247 2.820 20 30 CFEDHM CCOC(=O)Cc1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000737444169 574141815 /nfs/dbraw/zinc/14/18/15/574141815.db2.gz OGEHQZNZLZTBNK-UHFFFAOYSA-N -1 3 299.326 2.954 20 30 CFEDHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@H](C#N)CC(C)C)cc1 ZINC000755444548 574162610 /nfs/dbraw/zinc/16/26/10/574162610.db2.gz WMXWGPDJFWJJIY-CDNLZTBQSA-N -1 3 292.404 2.823 20 30 CFEDHM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H](C#N)CC(C)C)cc1 ZINC000755444550 574162712 /nfs/dbraw/zinc/16/27/12/574162712.db2.gz WMXWGPDJFWJJIY-WHLNPGIBSA-N -1 3 292.404 2.823 20 30 CFEDHM CS(=O)(=O)Cc1cccc(N=Cc2ccccc2[O-])c1 ZINC000746682139 574162732 /nfs/dbraw/zinc/16/27/32/574162732.db2.gz QMEWBESMUWFEAW-UHFFFAOYSA-N -1 3 289.356 2.687 20 30 CFEDHM Cc1ncc(CO)c(/C=N/Cc2cc3ccccc3[nH]2)c1[O-] ZINC000746680996 574162754 /nfs/dbraw/zinc/16/27/54/574162754.db2.gz CFMZCBTXQGYHRB-GIJQJNRQSA-N -1 3 295.342 2.688 20 30 CFEDHM [O-]c1c(F)cccc1C=NNc1nc2ccccc2[nH]1 ZINC000755490355 574165414 /nfs/dbraw/zinc/16/54/14/574165414.db2.gz NVWYWOMBIMZYGS-UHFFFAOYSA-N -1 3 270.267 2.854 20 30 CFEDHM [O-]c1ccccc1C=NNc1ccc(Br)nc1 ZINC000732713366 574166718 /nfs/dbraw/zinc/16/67/18/574166718.db2.gz ZYNNYYPHDVCWMY-UHFFFAOYSA-N -1 3 292.136 2.996 20 30 CFEDHM [O-]c1ccc(CN=Nc2ncnc3sccc32)cc1F ZINC000755589578 574169420 /nfs/dbraw/zinc/16/94/20/574169420.db2.gz WUZNAFXZSLXMQF-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM O=c1c2ccccc2ncn1N=Cc1c([O-])cccc1Cl ZINC000755591894 574170439 /nfs/dbraw/zinc/17/04/39/574170439.db2.gz VXHIVUMBDHOOSI-UHFFFAOYSA-N -1 3 299.717 2.638 20 30 CFEDHM O=c1[nH]ncc(NN=Cc2c([O-])cccc2Cl)c1Cl ZINC000755622592 574172630 /nfs/dbraw/zinc/17/26/30/574172630.db2.gz YQEBIJGPYDOHES-UHFFFAOYSA-N -1 3 299.117 2.641 20 30 CFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc(O)c1[O-] ZINC000747062475 574177980 /nfs/dbraw/zinc/17/79/80/574177980.db2.gz XWZYHCPUZQYNAR-UHFFFAOYSA-N -1 3 287.275 2.760 20 30 CFEDHM CC(N=Nc1nccnc1Cl)c1ccc(F)cc1[O-] ZINC000733079487 574187462 /nfs/dbraw/zinc/18/74/62/574187462.db2.gz KKHHFLDLNXUTTD-UHFFFAOYSA-N -1 3 280.690 2.811 20 30 CFEDHM [O-]c1c(F)cccc1CN=Nc1ncnc2ccsc21 ZINC000755795056 574188222 /nfs/dbraw/zinc/18/82/22/574188222.db2.gz SWFNYKMHDOXUNI-UHFFFAOYSA-N -1 3 288.307 2.982 20 30 CFEDHM N#Cc1ccc(CNN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755804255 574188576 /nfs/dbraw/zinc/18/85/76/574188576.db2.gz ZRHIPAYPFZDLTQ-UHFFFAOYSA-N -1 3 269.279 2.527 20 30 CFEDHM COc1cccc([O-])c1/C=N/CCc1nccs1 ZINC000747613942 574203090 /nfs/dbraw/zinc/20/30/90/574203090.db2.gz DHTYZDXFVPQZHS-NTEUORMPSA-N -1 3 262.334 2.519 20 30 CFEDHM Cc1ncc(CO)c(C=Nc2ccc(F)c(F)c2)c1[O-] ZINC000747707959 574207622 /nfs/dbraw/zinc/20/76/22/574207622.db2.gz SYPNLDOFGLNALI-UHFFFAOYSA-N -1 3 278.258 2.617 20 30 CFEDHM C=CCCC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CC1 ZINC000747754361 574210787 /nfs/dbraw/zinc/21/07/87/574210787.db2.gz WVKMUSARZXRYCU-UHFFFAOYSA-N -1 3 292.404 2.838 20 30 CFEDHM C#CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000733366330 574224519 /nfs/dbraw/zinc/22/45/19/574224519.db2.gz CPVINQFCLRYEGV-UHFFFAOYSA-N -1 3 279.339 2.736 20 30 CFEDHM N#CCOc1ccc(COC(=O)c2ccc([O-])cc2)cc1 ZINC000733388556 574225819 /nfs/dbraw/zinc/22/58/19/574225819.db2.gz CORGVYHQELJXPP-UHFFFAOYSA-N -1 3 283.283 2.652 20 30 CFEDHM CCOc1ccc(/C=N\Cc2cccc(OC)n2)c([O-])c1 ZINC000748033978 574226212 /nfs/dbraw/zinc/22/62/12/574226212.db2.gz PCENTOUGBLAOOZ-YVLHZVERSA-N -1 3 286.331 2.814 20 30 CFEDHM N#Cc1cccc(CNCC2(NC(=O)[O-])CCCCC2)c1 ZINC000740320315 574247267 /nfs/dbraw/zinc/24/72/67/574247267.db2.gz LIOYVOFIAHQTAU-UHFFFAOYSA-N -1 3 287.363 2.618 20 30 CFEDHM Cc1ncc(CO)c(/C=N\Cc2coc3ccccc23)c1[O-] ZINC000733904174 574261306 /nfs/dbraw/zinc/26/13/06/574261306.db2.gz VYOKFKPQCRUYCF-LSCVHKIXSA-N -1 3 296.326 2.953 20 30 CFEDHM CC[C@H](/N=C\c1ccc(O)c([O-])c1O)c1c(C)noc1C ZINC000756844922 574267491 /nfs/dbraw/zinc/26/74/91/574267491.db2.gz AGGGKXMDSQQUSV-FQKZPNAISA-N -1 3 290.319 2.978 20 30 CFEDHM C#CCOc1ccccc1CNC(=O)c1ccc(C)cc1[O-] ZINC000734104980 574273395 /nfs/dbraw/zinc/27/33/95/574273395.db2.gz WZTPYAYBIMRCHH-UHFFFAOYSA-N -1 3 295.338 2.643 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)C2CCCCC2)c1[O-] ZINC000741466297 574291822 /nfs/dbraw/zinc/29/18/22/574291822.db2.gz LSUZDZZMNKOODL-RGVUVNHFSA-N -1 3 276.380 2.976 20 30 CFEDHM C=CC[C@H](NC(=O)c1cccc(OC)c1[O-])c1ccncc1 ZINC000734555369 574292930 /nfs/dbraw/zinc/29/29/30/574292930.db2.gz QKVHVNKHBWETHG-AWEZNQCLSA-N -1 3 298.342 2.843 20 30 CFEDHM Cc1nn(C)c(C)c1C[C@H](C)/N=C\c1ccccc1[O-] ZINC000741758941 574300913 /nfs/dbraw/zinc/30/09/13/574300913.db2.gz USABZWOVQLYQNG-MTUBTWAWSA-N -1 3 271.364 2.793 20 30 CFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)C1CCCC1 ZINC000743448676 574306004 /nfs/dbraw/zinc/30/60/04/574306004.db2.gz AALOGROGEXKIGO-UHFFFAOYSA-N -1 3 294.420 2.715 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206625 574316529 /nfs/dbraw/zinc/31/65/29/574316529.db2.gz MGUDXPMEMUJDTC-GXMNPTEKSA-N -1 3 286.331 2.699 20 30 CFEDHM C=CCCSCc1cc(-c2nnn[n-]2)ccc1F ZINC000735416832 574324735 /nfs/dbraw/zinc/32/47/35/574324735.db2.gz RLCKIIGCCQUMPP-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM C=CCCSCc1cc(-c2nn[n-]n2)ccc1F ZINC000735416832 574324736 /nfs/dbraw/zinc/32/47/36/574324736.db2.gz RLCKIIGCCQUMPP-UHFFFAOYSA-N -1 3 264.329 2.815 20 30 CFEDHM CN1c2ccccc2C(=N[N-]c2c(F)cccc2F)C1=O ZINC000735614837 574331610 /nfs/dbraw/zinc/33/16/10/574331610.db2.gz CMLIRLSKTDAUEA-UHFFFAOYSA-N -1 3 287.269 2.757 20 30 CFEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739054351 574333244 /nfs/dbraw/zinc/33/32/44/574333244.db2.gz QLLGCKYCUSSKOO-OCCSQVGLSA-N -1 3 287.363 2.551 20 30 CFEDHM [O-]c1ccccc1C=Nn1cnnc1-c1ccccc1 ZINC000725856904 574333430 /nfs/dbraw/zinc/33/34/30/574333430.db2.gz PCDRASRNBQOXKF-UHFFFAOYSA-N -1 3 264.288 2.533 20 30 CFEDHM CC[C@H](C)C[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000743042234 574352110 /nfs/dbraw/zinc/35/21/10/574352110.db2.gz IIICBYYGRRQFEC-GZSWPZRASA-N -1 3 264.369 2.832 20 30 CFEDHM CCC(CC)(C/N=C\c1c([O-])c(C)ncc1CO)SC ZINC000743044461 574352573 /nfs/dbraw/zinc/35/25/73/574352573.db2.gz KAZCBCJQRDMLQO-PXNMLYILSA-N -1 3 296.436 2.929 20 30 CFEDHM [O-]c1ccccc1/C=N\Cc1ccc2c(c1)CCO2 ZINC000750950044 574365253 /nfs/dbraw/zinc/36/52/53/574365253.db2.gz MTVONGPZVARSSR-BOPFTXTBSA-N -1 3 253.301 2.946 20 30 CFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)(C)C ZINC000751109114 574369334 /nfs/dbraw/zinc/36/93/34/574369334.db2.gz RZQCSKXUMJPDMB-JTQLQIEISA-N -1 3 298.383 2.658 20 30 CFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc([O-])cs1 ZINC000743642464 574370115 /nfs/dbraw/zinc/37/01/15/574370115.db2.gz SDDWADQZTYWZBB-UHFFFAOYSA-N -1 3 291.303 2.857 20 30 CFEDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1O ZINC000751533070 574378637 /nfs/dbraw/zinc/37/86/37/574378637.db2.gz KDPOECFCGJEYQD-NSHDSACASA-N -1 3 296.326 2.769 20 30 CFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2ccc(C#N)[n-]2)c1 ZINC000752494910 574392006 /nfs/dbraw/zinc/39/20/06/574392006.db2.gz DMFBYUXZJIAYKX-LBPRGKRZSA-N -1 3 294.310 2.816 20 30 CFEDHM CC(=Nn1cc(Br)cn1)c1cc(C)ccc1[O-] ZINC000752748703 574394497 /nfs/dbraw/zinc/39/44/97/574394497.db2.gz YIYMEQGFXHORQI-UHFFFAOYSA-N -1 3 294.152 2.932 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000103607649 598877413 /nfs/dbraw/zinc/87/74/13/598877413.db2.gz YPEFRVDXXCBLOC-VMPITWQZSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000103607649 598877414 /nfs/dbraw/zinc/87/74/14/598877414.db2.gz YPEFRVDXXCBLOC-VMPITWQZSA-N -1 3 280.287 2.664 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822482169 599111435 /nfs/dbraw/zinc/11/14/35/599111435.db2.gz LEKMPTHDQWVXMB-VOTSOKGWSA-N -1 3 297.343 2.528 20 30 CFEDHM Cc1ncsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822482169 599111437 /nfs/dbraw/zinc/11/14/37/599111437.db2.gz LEKMPTHDQWVXMB-VOTSOKGWSA-N -1 3 297.343 2.528 20 30 CFEDHM CCNc1ncc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000900093946 620636984 /nfs/dbraw/zinc/63/69/84/620636984.db2.gz CNWRRSKUAPUCFX-UHFFFAOYSA-N -1 3 295.339 2.746 20 30 CFEDHM O=C(c1cnccn1)N([O-])Cc1cccc2ccccc21 ZINC000900091928 620637052 /nfs/dbraw/zinc/63/70/52/620637052.db2.gz SYOQGRHTAQMDQI-UHFFFAOYSA-N -1 3 279.299 2.661 20 30 CFEDHM C[C@H](N=Cc1ccccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820316040 599398029 /nfs/dbraw/zinc/39/80/29/599398029.db2.gz RMJLMIBTXOOBCB-MUOOZZNISA-N -1 3 293.330 2.752 20 30 CFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOCc1ccccc1 ZINC000822740439 607463985 /nfs/dbraw/zinc/46/39/85/607463985.db2.gz JTLKURARULELDV-UHFFFAOYSA-N -1 3 297.293 2.557 20 30 CFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOCc1ccccc1 ZINC000822740439 607463986 /nfs/dbraw/zinc/46/39/86/607463986.db2.gz JTLKURARULELDV-UHFFFAOYSA-N -1 3 297.293 2.557 20 30 CFEDHM N#Cc1cccc([C@@H](NCc2ccsc2)C(=O)[O-])c1 ZINC000833074914 601301499 /nfs/dbraw/zinc/30/14/99/601301499.db2.gz GMYRTPBVUXSSDS-CYBMUJFWSA-N -1 3 272.329 2.535 20 30 CFEDHM CCC[C@@](C)(NCC#Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000829193938 601418105 /nfs/dbraw/zinc/41/81/05/601418105.db2.gz OKZOVBFSTSJDJE-OAHLLOKOSA-N -1 3 279.767 2.925 20 30 CFEDHM C#CCN(Cc1cc(C)c(C(=O)[O-])o1)C1CCCC1 ZINC000688848270 601664008 /nfs/dbraw/zinc/66/40/08/601664008.db2.gz XJDNPUGKBMEGHY-UHFFFAOYSA-N -1 3 261.321 2.664 20 30 CFEDHM C#CCN(Cc1cc(C(=O)[O-])c(C)o1)C1CCCC1 ZINC000688848733 601664150 /nfs/dbraw/zinc/66/41/50/601664150.db2.gz ZLVOPBQOPFOAAH-UHFFFAOYSA-N -1 3 261.321 2.664 20 30 CFEDHM C=CCN(CC=C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000077253110 604515065 /nfs/dbraw/zinc/51/50/65/604515065.db2.gz SDFNAUANTSAXEH-ZDUSSCGKSA-N -1 3 275.348 2.713 20 30 CFEDHM C=C1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833370254 604631897 /nfs/dbraw/zinc/63/18/97/604631897.db2.gz DIGFPCCZTYQRKI-ZDUSSCGKSA-N -1 3 275.348 2.691 20 30 CFEDHM C=CCCCN(C)Cc1cc(C(=O)[O-])ccc1F ZINC000382546875 605834475 /nfs/dbraw/zinc/83/44/75/605834475.db2.gz PBWPOBRRPMSTRD-UHFFFAOYSA-N -1 3 251.301 2.922 20 30 CFEDHM C#CCCN[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833786858 605973657 /nfs/dbraw/zinc/97/36/57/605973657.db2.gz BOOPAYLVHFTCGP-MRXNPFEDSA-N -1 3 282.343 2.761 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC000822929651 606388010 /nfs/dbraw/zinc/38/80/10/606388010.db2.gz WHHKJVGOXCUUOQ-HYXAFXHYSA-N -1 3 288.357 2.886 20 30 CFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(O)c1 ZINC000822922933 606389596 /nfs/dbraw/zinc/38/95/96/606389596.db2.gz LEEXDMDWLDTWSJ-GQCTYLIASA-N -1 3 298.327 2.530 20 30 CFEDHM CC#CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819766452 606852831 /nfs/dbraw/zinc/85/28/31/606852831.db2.gz YWAXRXYXHFEWQN-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM CC#CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819766452 606852832 /nfs/dbraw/zinc/85/28/32/606852832.db2.gz YWAXRXYXHFEWQN-UHFFFAOYSA-N -1 3 264.741 2.636 20 30 CFEDHM CC[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820971557 606916952 /nfs/dbraw/zinc/91/69/52/606916952.db2.gz DECUCOPCRIRNMN-JTQLQIEISA-N -1 3 270.340 2.845 20 30 CFEDHM CC[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820971557 606916954 /nfs/dbraw/zinc/91/69/54/606916954.db2.gz DECUCOPCRIRNMN-JTQLQIEISA-N -1 3 270.340 2.845 20 30 CFEDHM C=CCC(CC=C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000819734294 606951181 /nfs/dbraw/zinc/95/11/81/606951181.db2.gz LBEHOWHJZXNJJP-UHFFFAOYSA-N -1 3 298.346 2.678 20 30 CFEDHM C=CCC(CC=C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000819734294 606951183 /nfs/dbraw/zinc/95/11/83/606951183.db2.gz LBEHOWHJZXNJJP-UHFFFAOYSA-N -1 3 298.346 2.678 20 30 CFEDHM C=C[C@@H](C)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819729816 607174441 /nfs/dbraw/zinc/17/44/41/607174441.db2.gz NERLSPQOSHGVHL-SSDOTTSWSA-N -1 3 283.257 2.872 20 30 CFEDHM C=C[C@@H](C)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819729816 607174442 /nfs/dbraw/zinc/17/44/42/607174442.db2.gz NERLSPQOSHGVHL-SSDOTTSWSA-N -1 3 283.257 2.872 20 30 CFEDHM Cc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826291662 607881921 /nfs/dbraw/zinc/88/19/21/607881921.db2.gz PTHFNXWJBTWOFK-UHFFFAOYSA-N -1 3 278.319 2.621 20 30 CFEDHM Cc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826291662 607881922 /nfs/dbraw/zinc/88/19/22/607881922.db2.gz PTHFNXWJBTWOFK-UHFFFAOYSA-N -1 3 278.319 2.621 20 30 CFEDHM C#CCCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823842242 608232440 /nfs/dbraw/zinc/23/24/40/608232440.db2.gz ZLOKLGONVIQUCK-UHFFFAOYSA-N -1 3 292.346 2.630 20 30 CFEDHM C#CCCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823842242 608232442 /nfs/dbraw/zinc/23/24/42/608232442.db2.gz ZLOKLGONVIQUCK-UHFFFAOYSA-N -1 3 292.346 2.630 20 30 CFEDHM C#CCCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823841538 608261639 /nfs/dbraw/zinc/26/16/39/608261639.db2.gz OMHBLNZRYLAYOP-UHFFFAOYSA-N -1 3 299.403 2.646 20 30 CFEDHM C#CCCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823841538 608261640 /nfs/dbraw/zinc/26/16/40/608261640.db2.gz OMHBLNZRYLAYOP-UHFFFAOYSA-N -1 3 299.403 2.646 20 30 CFEDHM C#CCCCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841006 608330606 /nfs/dbraw/zinc/33/06/06/608330606.db2.gz HNAFJLNNAHJEGL-GFCCVEGCSA-N -1 3 298.346 2.665 20 30 CFEDHM C#CCCCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841006 608330607 /nfs/dbraw/zinc/33/06/07/608330607.db2.gz HNAFJLNNAHJEGL-GFCCVEGCSA-N -1 3 298.346 2.665 20 30 CFEDHM C[C@H]1CCC[C@@H](CN=NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824925590 608533532 /nfs/dbraw/zinc/53/35/32/608533532.db2.gz FMTPLJOYZXGLLX-GXTWGEPZSA-N -1 3 298.394 2.768 20 30 CFEDHM C[C@H]1CCC[C@@H](CN=NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925590 608533533 /nfs/dbraw/zinc/53/35/33/608533533.db2.gz FMTPLJOYZXGLLX-GXTWGEPZSA-N -1 3 298.394 2.768 20 30 CFEDHM CCCCN([O-])C(=O)c1cc(SCC)c[nH]c1=O ZINC000900682694 620701381 /nfs/dbraw/zinc/70/13/81/620701381.db2.gz OPCGXAKNDROIHU-UHFFFAOYSA-N -1 3 270.354 2.531 20 30 CFEDHM CCCCN([O-])C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000900683018 620701400 /nfs/dbraw/zinc/70/14/00/620701400.db2.gz SKBRLGPIIRHLBM-STQMWFEESA-N -1 3 278.308 2.716 20 30 CFEDHM N#CC1(CSc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826380062 609311553 /nfs/dbraw/zinc/31/15/53/609311553.db2.gz LPQKYRNWZFRZBK-UHFFFAOYSA-N -1 3 291.767 2.916 20 30 CFEDHM N#CC1(CSc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826380062 609311556 /nfs/dbraw/zinc/31/15/56/609311556.db2.gz LPQKYRNWZFRZBK-UHFFFAOYSA-N -1 3 291.767 2.916 20 30 CFEDHM N#CCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826381196 609589300 /nfs/dbraw/zinc/58/93/00/609589300.db2.gz AWTYXFFNLVNBLI-UHFFFAOYSA-N -1 3 296.256 2.601 20 30 CFEDHM N#CCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826381196 609589302 /nfs/dbraw/zinc/58/93/02/609589302.db2.gz AWTYXFFNLVNBLI-UHFFFAOYSA-N -1 3 296.256 2.601 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)c(F)c2)c1O ZINC000255084845 617954309 /nfs/dbraw/zinc/95/43/09/617954309.db2.gz NOLMAZBDOJVDMA-UHFFFAOYSA-N -1 3 265.215 2.832 20 30 CFEDHM COC1(C/N=C/c2cc(Cl)ccc2[O-])CCOCC1 ZINC000160183416 617607609 /nfs/dbraw/zinc/60/76/09/617607609.db2.gz TVSMNHSZGHBQPH-CXUHLZMHSA-N -1 3 283.755 2.660 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891473665 617624957 /nfs/dbraw/zinc/62/49/57/617624957.db2.gz LXSGEJQOIGNGNF-UHFFFAOYSA-N -1 3 289.314 2.547 20 30 CFEDHM C=CCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891473665 617624961 /nfs/dbraw/zinc/62/49/61/617624961.db2.gz LXSGEJQOIGNGNF-UHFFFAOYSA-N -1 3 289.314 2.547 20 30 CFEDHM C=CC[C@H]1CCN1C(=O)c1cc(SC)ccc1[O-] ZINC000890549867 617641340 /nfs/dbraw/zinc/64/13/40/617641340.db2.gz RBWALZFHESIUTB-JTQLQIEISA-N -1 3 263.362 2.905 20 30 CFEDHM C#C[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000890653883 617738429 /nfs/dbraw/zinc/73/84/29/617738429.db2.gz UIYFMIZHLGFBOY-JTQLQIEISA-N -1 3 263.724 2.674 20 30 CFEDHM CC(=NNC(=S)NC(C)(C)C)c1ccc(F)c([O-])c1 ZINC000901149195 620757264 /nfs/dbraw/zinc/75/72/64/620757264.db2.gz IBOPEGDNYDEBDZ-UHFFFAOYSA-N -1 3 283.372 2.518 20 30 CFEDHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(F)cc2n[n-]nc21 ZINC000328659120 617867995 /nfs/dbraw/zinc/86/79/95/617867995.db2.gz SDWMNTHPVRGELX-MRVPVSSYSA-N -1 3 298.268 2.980 20 30 CFEDHM [O-]c1ccc2c(c1F)CCC2=NNc1ccc(F)cn1 ZINC000807971910 618007980 /nfs/dbraw/zinc/00/79/80/618007980.db2.gz DXIIVOJIHQFNDZ-UHFFFAOYSA-N -1 3 275.258 2.828 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(Cl)cs1 ZINC000846546531 618111199 /nfs/dbraw/zinc/11/11/99/618111199.db2.gz WNNGDBATOZRCAC-MRVPVSSYSA-N -1 3 259.758 2.956 20 30 CFEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)CCCO3)c1O ZINC000255323994 618197428 /nfs/dbraw/zinc/19/74/28/618197428.db2.gz LZXRVBIJHCNMNT-UHFFFAOYSA-N -1 3 285.299 2.879 20 30 CFEDHM N#CCCN(Cc1cccnc1)Cc1ccc([O-])c(F)c1 ZINC000891456905 618221833 /nfs/dbraw/zinc/22/18/33/618221833.db2.gz MKKZMXMETQRQBQ-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM O=C([N-]c1cc(C(F)(F)F)no1)C(F)(F)C(F)F ZINC000892424045 618253484 /nfs/dbraw/zinc/25/34/84/618253484.db2.gz HITOCAOHDRZFAV-UHFFFAOYSA-N -1 3 280.099 2.532 20 30 CFEDHM COc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255723185 618271314 /nfs/dbraw/zinc/27/13/14/618271314.db2.gz DBYZYTWBUIEWQI-UHFFFAOYSA-N -1 3 259.261 2.563 20 30 CFEDHM CC1(C)CO[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372474 620792755 /nfs/dbraw/zinc/79/27/55/620792755.db2.gz DVXXGGJIPTYSFB-CYBMUJFWSA-N -1 3 281.327 2.749 20 30 CFEDHM O=C(C[C@@H]1C[C@H]1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901372495 620792927 /nfs/dbraw/zinc/79/29/27/620792927.db2.gz FEDIWLWNEFIMBI-JSGCOSHPSA-N -1 3 263.312 2.980 20 30 CFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c(C)s1 ZINC000178706692 618340475 /nfs/dbraw/zinc/34/04/75/618340475.db2.gz YJSTUYKDXJKSLX-GFCCVEGCSA-N -1 3 299.355 2.721 20 30 CFEDHM COCCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC000901371459 620796903 /nfs/dbraw/zinc/79/69/03/620796903.db2.gz CPZWRGBQVKYKPQ-UHFFFAOYSA-N -1 3 281.327 2.750 20 30 CFEDHM Cc1nn(C)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369525 620796932 /nfs/dbraw/zinc/79/69/32/620796932.db2.gz DJZVQLPYTNALJI-UHFFFAOYSA-N -1 3 295.342 2.913 20 30 CFEDHM CCOC1CC2(C[C@H]2C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372355 620797405 /nfs/dbraw/zinc/79/74/05/620797405.db2.gz CODSFAABCIAPOZ-BBBYJDLNSA-N -1 3 293.338 2.749 20 30 CFEDHM N#CCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901374063 620798062 /nfs/dbraw/zinc/79/80/62/620798062.db2.gz CRKTWVLJGVMGAB-UHFFFAOYSA-N -1 3 284.290 2.923 20 30 CFEDHM O=C(COC1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901375060 620798656 /nfs/dbraw/zinc/79/86/56/620798656.db2.gz CDKNDQXPGMEFBV-UHFFFAOYSA-N -1 3 267.300 2.503 20 30 CFEDHM O=C(c1ccc([N+](=O)[O-])s1)N([O-])Cc1ccc(F)cc1 ZINC000901378713 620799415 /nfs/dbraw/zinc/79/94/15/620799415.db2.gz KCBSIPZWEJRACL-UHFFFAOYSA-N -1 3 296.279 2.827 20 30 CFEDHM O=C1[C@@H](NCc2csc(Cl)c2Cl)CCCN1[O-] ZINC000895161317 618409414 /nfs/dbraw/zinc/40/94/14/618409414.db2.gz REFNVCMAYHWSNX-ZETCQYMHSA-N -1 3 295.191 2.525 20 30 CFEDHM CCCCCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213116 618886371 /nfs/dbraw/zinc/88/63/71/618886371.db2.gz PEQHRWSRBJZGHC-UHFFFAOYSA-N -1 3 277.368 2.822 20 30 CFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(=O)[n-]cn1 ZINC000893832871 619225168 /nfs/dbraw/zinc/22/51/68/619225168.db2.gz KCSHZCNQUWOLHX-UHFFFAOYSA-N -1 3 287.367 2.542 20 30 CFEDHM C=C1CC(c2noc(Cc3ccc([O-])c(F)c3)n2)C1 ZINC000896876079 619853476 /nfs/dbraw/zinc/85/34/76/619853476.db2.gz BJOCPPQUPZUXQS-UHFFFAOYSA-N -1 3 260.268 2.939 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC2=CCCCC2)c1[O-] ZINC000840707874 619870742 /nfs/dbraw/zinc/87/07/42/619870742.db2.gz SNVBMOATFQINBY-CXUHLZMHSA-N -1 3 260.337 2.507 20 30 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ZINC001228699185 776573973 /nfs/dbraw/zinc/57/39/73/776573973.db2.gz WXIAQAYKCRDCDC-GFCCVEGCSA-N -1 3 258.325 2.990 20 30 CFEDHM O=C1OCC[C@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934305 776920523 /nfs/dbraw/zinc/92/05/23/776920523.db2.gz XJOIHNFKZWGKKZ-YCPFAOKUSA-N -1 3 297.310 2.837 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231077419 777134079 /nfs/dbraw/zinc/13/40/79/777134079.db2.gz TZURZLFXGWESDD-LLVKDONJSA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@H](C#C[Si](C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231077419 777134083 /nfs/dbraw/zinc/13/40/83/777134083.db2.gz TZURZLFXGWESDD-LLVKDONJSA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118522 777146333 /nfs/dbraw/zinc/14/63/33/777146333.db2.gz QIQPHZNKXWXGDF-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118522 777146335 /nfs/dbraw/zinc/14/63/35/777146335.db2.gz QIQPHZNKXWXGDF-NSHDSACASA-N -1 3 286.411 2.515 20 30 CFEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])s1 ZINC001231463967 777228451 /nfs/dbraw/zinc/22/84/51/777228451.db2.gz ACWCWQUOYVJDPP-RTCCRHLQSA-N -1 3 276.361 2.713 20 30 CFEDHM CC(=O)c1ccc([O-])c(OC2CCC(C#N)CC2)c1O ZINC001226479001 777553472 /nfs/dbraw/zinc/55/34/72/777553472.db2.gz MJQZZQCPLNQXSF-UHFFFAOYSA-N -1 3 275.304 2.762 20 30 CFEDHM C=CCN(C)Cc1cc(F)c([O-])c(Br)c1 ZINC001232633325 777626077 /nfs/dbraw/zinc/62/60/77/777626077.db2.gz LALXSIDNSUCSNF-UHFFFAOYSA-N -1 3 274.133 2.912 20 30 CFEDHM N#C[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1F ZINC001226942365 777705332 /nfs/dbraw/zinc/70/53/32/777705332.db2.gz LBANVSBRHVBZMW-SNVBAGLBSA-N -1 3 261.281 2.548 20 30 CFEDHM N#Cc1ccc(CN2CCc3sccc3C2)c([O-])c1 ZINC001233384520 777927366 /nfs/dbraw/zinc/92/73/66/777927366.db2.gz YKVGEHBTTQODGF-UHFFFAOYSA-N -1 3 270.357 2.884 20 30 CFEDHM N#Cc1ccc(CN2CCc3ccc(F)cc3C2)c([O-])c1 ZINC001233386796 777928943 /nfs/dbraw/zinc/92/89/43/777928943.db2.gz JCIHKKMJQGAPEH-UHFFFAOYSA-N -1 3 282.318 2.961 20 30 CFEDHM COc1ccc([C@@H](C)Oc2cc([O-])cc(C#N)c2)cn1 ZINC001234143566 778174166 /nfs/dbraw/zinc/17/41/66/778174166.db2.gz DJZZNNCSXZMCPR-SNVBAGLBSA-N -1 3 270.288 2.807 20 30 CFEDHM N#Cc1cc([O-])cc(OC2CN(Cc3ccccc3)C2)c1 ZINC001234143133 778174283 /nfs/dbraw/zinc/17/42/83/778174283.db2.gz ZUOZPZPFBJTESP-UHFFFAOYSA-N -1 3 280.327 2.527 20 30 CFEDHM N#Cc1cc([O-])cc(OC[C@H]2CC[C@@]3(CCCCO3)O2)c1 ZINC001234144703 778174408 /nfs/dbraw/zinc/17/44/08/778174408.db2.gz TTXLCBFUIQXBRI-GDBMZVCRSA-N -1 3 289.331 2.718 20 30 CFEDHM CC/C=C\CCOC(=O)[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144637 778174857 /nfs/dbraw/zinc/17/48/57/778174857.db2.gz SAWZHMYFXDXHKB-RXNFCKPNSA-N -1 3 289.331 2.931 20 30 CFEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127589134 778220250 /nfs/dbraw/zinc/22/02/50/778220250.db2.gz BNCFEVVNXAGWTL-CQSZACIVSA-N -1 3 282.299 2.858 20 30 CFEDHM CC[C@H](C#CC(=O)OC)Oc1c([O-])cc(Cl)cc1F ZINC001234443210 778227123 /nfs/dbraw/zinc/22/71/23/778227123.db2.gz DJQWQDZSEYXZIT-SECBINFHSA-N -1 3 286.686 2.519 20 30 CFEDHM C[C@@H](C#C[Si](C)(C)C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234445837 778227806 /nfs/dbraw/zinc/22/78/06/778227806.db2.gz CLSIVWKUMUPAMK-JTQLQIEISA-N -1 3 274.396 2.917 20 30 CFEDHM COc1cc([O-])c(C)c(O[C@H](C)CS)c1C(C)=O ZINC001234792777 778298880 /nfs/dbraw/zinc/29/88/80/778298880.db2.gz HXRWFNMTQWMMHI-SSDOTTSWSA-N -1 3 270.350 2.609 20 30 CFEDHM N#C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2[O-])CCO1 ZINC001234997992 778348998 /nfs/dbraw/zinc/34/89/98/778348998.db2.gz GYVZALAXVIFXGE-MRXNPFEDSA-N -1 3 294.354 2.784 20 30 CFEDHM N#Cc1c(C(F)(F)F)ccnc1-c1cncc([O-])c1 ZINC001236575739 778880888 /nfs/dbraw/zinc/88/08/88/778880888.db2.gz WUSHXKNBVKKJDC-UHFFFAOYSA-N -1 3 265.194 2.740 20 30 CFEDHM N#Cc1cc2c(nc1-c1cncc([O-])c1)CCCC2 ZINC001236579080 778882860 /nfs/dbraw/zinc/88/28/60/778882860.db2.gz VAAXDDIKCJBQHK-UHFFFAOYSA-N -1 3 251.289 2.600 20 30 CFEDHM C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)c([O-])cc1C ZINC001233590838 779056959 /nfs/dbraw/zinc/05/69/59/779056959.db2.gz AYWPFCOSGTZTLF-ZETCQYMHSA-N -1 3 268.696 2.952 20 30 CFEDHM Cc1cc(C(=O)[O-])ccc1CN1CCC(C)(C#N)CC1 ZINC001238148929 779262522 /nfs/dbraw/zinc/26/25/22/779262522.db2.gz JNANJBOMNIJGMH-UHFFFAOYSA-N -1 3 272.348 2.819 20 30 CFEDHM N#Cc1ccc(C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001239292382 779503677 /nfs/dbraw/zinc/50/36/77/779503677.db2.gz SMTYCSHQPIYPJN-MDZDMXLPSA-N -1 3 273.299 2.909 20 30 CFEDHM N#Cc1ccc(C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001239292382 779503680 /nfs/dbraw/zinc/50/36/80/779503680.db2.gz SMTYCSHQPIYPJN-MDZDMXLPSA-N -1 3 273.299 2.909 20 30 CFEDHM CCS(=O)(=O)c1ccc(-c2cccc(/C=N/[O-])c2)cc1 ZINC001240506750 780211765 /nfs/dbraw/zinc/21/17/65/780211765.db2.gz HUQVUBRMARKMJE-LFIBNONCSA-N -1 3 289.356 2.955 20 30 CFEDHM C[S@@](=O)c1ccccc1-c1ccccc1C=N[O-] ZINC001241344473 780799228 /nfs/dbraw/zinc/79/92/28/780799228.db2.gz QMSKOILWECLBLY-GOSISDBHSA-N -1 3 259.330 2.899 20 30 CFEDHM N#CCc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1F ZINC001241443238 780892137 /nfs/dbraw/zinc/89/21/37/780892137.db2.gz DNBOCQRHFUOLBL-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM N#CCc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241443238 780892144 /nfs/dbraw/zinc/89/21/44/780892144.db2.gz DNBOCQRHFUOLBL-UHFFFAOYSA-N -1 3 279.278 2.739 20 30 CFEDHM Cc1cc(C#N)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001242474428 781529102 /nfs/dbraw/zinc/52/91/02/781529102.db2.gz OEWKITKPAWFHAZ-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cc(C#N)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001242474428 781529107 /nfs/dbraw/zinc/52/91/07/781529107.db2.gz OEWKITKPAWFHAZ-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM COCCCn1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001242489339 781541174 /nfs/dbraw/zinc/54/11/74/781541174.db2.gz HFJFGJLQKAQBTQ-VLGSPTGOSA-N -1 3 285.347 2.711 20 30 CFEDHM COCOc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565517 781605075 /nfs/dbraw/zinc/60/50/75/781605075.db2.gz ILIHEGQXAMDING-UHFFFAOYSA-N -1 3 255.273 2.914 20 30 CFEDHM Cc1cc(-c2nnn[n-]2)ccc1C1=CC(=O)C[C@H](C)C1 ZINC001242743037 781736516 /nfs/dbraw/zinc/73/65/16/781736516.db2.gz HYFAXGHISMILPZ-SECBINFHSA-N -1 3 268.320 2.558 20 30 CFEDHM Cc1cc(-c2nn[n-]n2)ccc1C1=CC(=O)C[C@H](C)C1 ZINC001242743037 781736522 /nfs/dbraw/zinc/73/65/22/781736522.db2.gz HYFAXGHISMILPZ-SECBINFHSA-N -1 3 268.320 2.558 20 30 CFEDHM Cc1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1C#N ZINC001242768407 781752107 /nfs/dbraw/zinc/75/21/07/781752107.db2.gz WNAACHQNJQUQHA-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM Cc1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1C#N ZINC001242768407 781752110 /nfs/dbraw/zinc/75/21/10/781752110.db2.gz WNAACHQNJQUQHA-UHFFFAOYSA-N -1 3 275.315 2.638 20 30 CFEDHM CC(F)(F)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596255202 349843137 /nfs/dbraw/zinc/84/31/37/349843137.db2.gz LZRPTKANJJMOSP-UHFFFAOYSA-N -1 3 251.689 2.547 20 30 CFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(OC)cc1[O-])OCC ZINC000442704433 539379061 /nfs/dbraw/zinc/37/90/61/539379061.db2.gz KDKIPCDJWUVJEU-CQSZACIVSA-N -1 3 279.336 2.711 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)o1 ZINC000075441882 347077601 /nfs/dbraw/zinc/07/76/01/347077601.db2.gz STHYXRWDJNUCTD-ZDUSSCGKSA-N -1 3 269.304 2.793 20 30 CFEDHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(C#N)c1 ZINC000075505033 347080858 /nfs/dbraw/zinc/08/08/58/347080858.db2.gz JNLKYUQXTJCJIQ-LLVKDONJSA-N -1 3 266.300 2.755 20 30 CFEDHM COc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1[O-] ZINC000049632984 346484067 /nfs/dbraw/zinc/48/40/67/346484067.db2.gz TUCRHWZDXUIZKB-UHFFFAOYSA-N -1 3 282.299 2.719 20 30 CFEDHM CCc1nc(C)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000051898265 346507347 /nfs/dbraw/zinc/50/73/47/346507347.db2.gz JMQBSBNITCPHTD-JTQLQIEISA-N -1 3 271.345 2.899 20 30 CFEDHM N#Cc1cc(C(=O)Nc2ccccc2[O-])ccc1F ZINC000082271789 347442919 /nfs/dbraw/zinc/44/29/19/347442919.db2.gz PQYRRKZGKWCHAI-UHFFFAOYSA-N -1 3 256.236 2.655 20 30 CFEDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)C[C@@H](C)C#N)c(=O)c2c1 ZINC000274970596 348335633 /nfs/dbraw/zinc/33/56/33/348335633.db2.gz SXVCKFVFYSOYNL-NSHDSACASA-N -1 3 297.358 2.789 20 30 CFEDHM CC1(C#N)CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000281739242 348343004 /nfs/dbraw/zinc/34/30/04/348343004.db2.gz JFISUNJMKQIWFC-UHFFFAOYSA-N -1 3 266.300 2.531 20 30 CFEDHM Cc1ccccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000302221730 348372974 /nfs/dbraw/zinc/37/29/74/348372974.db2.gz KINVDFLKFQXGCF-CQSZACIVSA-N -1 3 294.358 2.803 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000324077880 348439027 /nfs/dbraw/zinc/43/90/27/348439027.db2.gz HGJDIGGLLHPRJP-GFCCVEGCSA-N -1 3 298.795 2.679 20 30 CFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1C(C)C ZINC000354481112 348501315 /nfs/dbraw/zinc/50/13/15/348501315.db2.gz XTLSVEFRDBOQAB-AWEZNQCLSA-N -1 3 282.347 2.966 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NCC#Cc2ccccc2)c1 ZINC000522776755 348645008 /nfs/dbraw/zinc/64/50/08/348645008.db2.gz HSLNUIRPVWXCKY-UHFFFAOYSA-N -1 3 279.339 2.736 20 30 CFEDHM CCc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)ccc1[O-] ZINC000589844956 348860405 /nfs/dbraw/zinc/86/04/05/348860405.db2.gz FMDIUZBBGZJGKA-INIZCTEOSA-N -1 3 272.348 2.720 20 30 CFEDHM C[C@H]1CCN(C(=O)CC2(C#N)CC2)c2c([O-])cccc21 ZINC000590329290 348894716 /nfs/dbraw/zinc/89/47/16/348894716.db2.gz DLKNPWOWQPVSJE-NSHDSACASA-N -1 3 270.332 2.926 20 30 CFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000590739712 348940053 /nfs/dbraw/zinc/94/00/53/348940053.db2.gz CWSGRTKQUWVULP-CQSZACIVSA-N -1 3 286.441 2.814 20 30 CFEDHM C=CCC1(C(=O)Nc2cnc(C(=O)OCC)[n-]2)CCCC1 ZINC000590746244 348940877 /nfs/dbraw/zinc/94/08/77/348940877.db2.gz XZWUVIWFVPNIDW-UHFFFAOYSA-N -1 3 291.351 2.661 20 30 CFEDHM C=CCC1(C(=O)Nc2c[n-]c(C(=O)OCC)n2)CCCC1 ZINC000590746244 348940881 /nfs/dbraw/zinc/94/08/81/348940881.db2.gz XZWUVIWFVPNIDW-UHFFFAOYSA-N -1 3 291.351 2.661 20 30 CFEDHM Cc1cccc2cc(S(=O)(=O)[N-][C@@H](C)CC#N)sc21 ZINC000592022273 349075754 /nfs/dbraw/zinc/07/57/54/349075754.db2.gz ZWBRTELNCRKKEO-JTQLQIEISA-N -1 3 294.401 2.790 20 30 CFEDHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539019 349291500 /nfs/dbraw/zinc/29/15/00/349291500.db2.gz XATCVOKEFQAGJF-GHMZBOCLSA-N -1 3 298.433 2.724 20 30 CFEDHM CCCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593561940 349292865 /nfs/dbraw/zinc/29/28/65/349292865.db2.gz BBXMWYNNARYNMK-UHFFFAOYSA-N -1 3 298.433 2.868 20 30 CFEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C[C@@H]1C ZINC000593574955 349294781 /nfs/dbraw/zinc/29/47/81/349294781.db2.gz BSVBIBUKEFKMNR-VWYCJHECSA-N -1 3 298.433 2.723 20 30 CFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H]1CC1(C)C ZINC000593609927 349298204 /nfs/dbraw/zinc/29/82/04/349298204.db2.gz VPKXEJKXTNAOSX-VHSXEESVSA-N -1 3 298.433 2.723 20 30 CFEDHM CCC(C#N)=C([O-])N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000593482880 349280123 /nfs/dbraw/zinc/28/01/23/349280123.db2.gz UEVRKWGFDHODMC-NSHDSACASA-N -1 3 274.368 2.758 20 30 CFEDHM Cc1ccc(C(=O)NCC2(C#N)CCCC2)c([O-])c1 ZINC000593776391 349324175 /nfs/dbraw/zinc/32/41/75/349324175.db2.gz WLDWHOCTQMACAX-UHFFFAOYSA-N -1 3 258.321 2.514 20 30 CFEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC=CC1 ZINC000594475937 349427772 /nfs/dbraw/zinc/42/77/72/349427772.db2.gz ZOJWJRHAJBBAAF-UHFFFAOYSA-N -1 3 296.779 2.599 20 30 CFEDHM C=CCSCCNC(=O)c1cc(SC)ccc1[O-] ZINC000596972690 350009819 /nfs/dbraw/zinc/00/98/19/350009819.db2.gz FYYUBTMAFMFTAS-UHFFFAOYSA-N -1 3 283.418 2.763 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1cc(SC)ccc1[O-] ZINC000597509282 350106944 /nfs/dbraw/zinc/10/69/44/350106944.db2.gz XKLZLDYLVYVQJD-SECBINFHSA-N -1 3 264.350 2.536 20 30 CFEDHM Cc1ccc(C(=O)N([C@@H](C)C#N)C2CC2)c([O-])c1C ZINC000598132372 350205292 /nfs/dbraw/zinc/20/52/92/350205292.db2.gz IAIOVANQTRTBGW-JTQLQIEISA-N -1 3 258.321 2.526 20 30 CFEDHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](C)C#N ZINC000598361165 350249555 /nfs/dbraw/zinc/24/95/55/350249555.db2.gz CPNFAASQJASMTP-LLVKDONJSA-N -1 3 278.327 2.615 20 30 CFEDHM CC1CC(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000598621948 350295551 /nfs/dbraw/zinc/29/55/51/350295551.db2.gz DGTWEQTXTOBXNR-UHFFFAOYSA-N -1 3 298.795 2.536 20 30 CFEDHM N#CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCC1 ZINC000598658855 350304896 /nfs/dbraw/zinc/30/48/96/350304896.db2.gz NHVWDAQREWTULU-UHFFFAOYSA-N -1 3 298.264 2.977 20 30 CFEDHM Cc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000599977903 350502127 /nfs/dbraw/zinc/50/21/27/350502127.db2.gz FGLQIAPRBRBLHY-RYUDHWBXSA-N -1 3 258.321 2.513 20 30 CFEDHM N#Cc1c([N-]C(=O)c2ccc(C(F)F)o2)n[nH]c1C1CC1 ZINC000600827006 350618047 /nfs/dbraw/zinc/61/80/47/350618047.db2.gz RSUUVGQIIHUSCW-UHFFFAOYSA-N -1 3 292.245 2.942 20 30 CFEDHM COCCCCNc1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC000600780601 350610509 /nfs/dbraw/zinc/61/05/09/350610509.db2.gz SBMILUNGWHTOIN-UHFFFAOYSA-N -1 3 297.358 2.586 20 30 CFEDHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000601821789 350786291 /nfs/dbraw/zinc/78/62/91/350786291.db2.gz SYHVGGQTFRCNMC-RNCFNFMXSA-N -1 3 278.739 2.810 20 30 CFEDHM CCc1c(-c2cccc(C)c2)[n-]n(C[C@H](C)C#N)c1=O ZINC000601933537 350807062 /nfs/dbraw/zinc/80/70/62/350807062.db2.gz RAADOAZULNLSSG-TZMCWYRMSA-N -1 3 269.348 2.727 20 30 CFEDHM CCc1nocc1C(=O)[N-]c1scc(C)c1C#N ZINC000602337299 350865167 /nfs/dbraw/zinc/86/51/67/350865167.db2.gz WCXIZCDPZRKJJM-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cocn3)sc2C1 ZINC000609215446 351491675 /nfs/dbraw/zinc/49/16/75/351491675.db2.gz GWWYUEAEUVLEGI-MRVPVSSYSA-N -1 3 287.344 2.985 20 30 CFEDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610080927 351533921 /nfs/dbraw/zinc/53/39/21/351533921.db2.gz ZHQXUCRZWMHWRD-NSHDSACASA-N -1 3 298.383 2.800 20 30 CFEDHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610267195 351545714 /nfs/dbraw/zinc/54/57/14/351545714.db2.gz KUHNHXMOHJQGGZ-WDEREUQCSA-N -1 3 298.383 2.800 20 30 CFEDHM COc1cccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000610366823 351560203 /nfs/dbraw/zinc/56/02/03/351560203.db2.gz ZGFGQQHPNXSOLO-NSHDSACASA-N -1 3 296.326 2.763 20 30 CFEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000611280015 351663444 /nfs/dbraw/zinc/66/34/44/351663444.db2.gz YQUMOVRSPZBZFD-AWEZNQCLSA-N -1 3 286.375 2.939 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612366917 351808755 /nfs/dbraw/zinc/80/87/55/351808755.db2.gz ZHJTZIXZKFIOAX-MRXNPFEDSA-N -1 3 272.348 2.720 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000291927896 198107924 /nfs/dbraw/zinc/10/79/24/198107924.db2.gz VWUGVVLEBHNPGD-UHFFFAOYSA-N -1 3 284.337 2.611 20 30 CFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000617787060 352647211 /nfs/dbraw/zinc/64/72/11/352647211.db2.gz GQKDGPFTQZSFTG-GFCCVEGCSA-N -1 3 275.348 2.829 20 30 CFEDHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cccc(C#N)c2)n1 ZINC000619166425 352970852 /nfs/dbraw/zinc/97/08/52/352970852.db2.gz MLATZDVTYXLPQM-VXGBXAGGSA-N -1 3 282.347 2.774 20 30 CFEDHM CC(C)Oc1ccc(C#N)cc1NC([O-])=NOCC1CC1 ZINC000292546633 198328063 /nfs/dbraw/zinc/32/80/63/198328063.db2.gz GVCNANLGJHQDRQ-UHFFFAOYSA-N -1 3 289.335 2.809 20 30 CFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)[N-]OCC1CC1 ZINC000292546633 198328064 /nfs/dbraw/zinc/32/80/64/198328064.db2.gz GVCNANLGJHQDRQ-UHFFFAOYSA-N -1 3 289.335 2.809 20 30 CFEDHM C=CCCC(C)(C)NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000622184577 353491990 /nfs/dbraw/zinc/49/19/90/353491990.db2.gz DUEFSEYZDVJIFS-UHFFFAOYSA-N -1 3 291.395 2.593 20 30 CFEDHM C=CCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000629219165 354773931 /nfs/dbraw/zinc/77/39/31/354773931.db2.gz ADSBZVHFOAXLHG-UHFFFAOYSA-N -1 3 264.354 2.517 20 30 CFEDHM C=CCN(Cc1ccccc1)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000298333605 200398444 /nfs/dbraw/zinc/39/84/44/200398444.db2.gz YULHOCYKSXFSDS-AWEZNQCLSA-N -1 3 299.374 2.998 20 30 CFEDHM C=CCN(CCOC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355989286 540941221 /nfs/dbraw/zinc/94/12/21/540941221.db2.gz PQMAOKPZJLWXND-UHFFFAOYSA-N -1 3 285.343 2.820 20 30 CFEDHM C=CCCOCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212089 541836391 /nfs/dbraw/zinc/83/63/91/541836391.db2.gz KMTLOJWHSBZQPT-UHFFFAOYSA-N -1 3 255.701 2.577 20 30 CFEDHM CC1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000331817838 204198818 /nfs/dbraw/zinc/19/88/18/204198818.db2.gz NWPIYXNWXRBEOU-UHFFFAOYSA-N -1 3 298.795 2.680 20 30 CFEDHM Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1[O-] ZINC000019807237 372189776 /nfs/dbraw/zinc/18/97/76/372189776.db2.gz UTMHGDNYIJDIDG-UHFFFAOYSA-N -1 3 252.273 2.825 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000041520373 372845259 /nfs/dbraw/zinc/84/52/59/372845259.db2.gz TYCNKDUPRFDRFS-GFCCVEGCSA-N -1 3 272.329 2.950 20 30 CFEDHM Cc1cccc(C(=O)N(C)Cc2cccc(C#N)c2)c1[O-] ZINC000063240243 373801215 /nfs/dbraw/zinc/80/12/15/373801215.db2.gz ITSOWHQRGOKUAQ-UHFFFAOYSA-N -1 3 280.327 2.845 20 30 CFEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC000108250788 375816159 /nfs/dbraw/zinc/81/61/59/375816159.db2.gz ZLYLGHITROAYDE-UHFFFAOYSA-N -1 3 282.390 2.596 20 30 CFEDHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000112716503 375954911 /nfs/dbraw/zinc/95/49/11/375954911.db2.gz WOIGNIHZTFCGAJ-LBPRGKRZSA-N -1 3 267.332 2.818 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529511252 383715228 /nfs/dbraw/zinc/71/52/28/383715228.db2.gz 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/nfs/dbraw/zinc/50/93/10/378509310.db2.gz COLUKBDAUGXJRP-LURJTMIESA-N -1 3 296.352 2.595 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000330612926 378589852 /nfs/dbraw/zinc/58/98/52/378589852.db2.gz YEHMXDISMYCTBM-DGCLKSJQSA-N -1 3 258.321 2.951 20 30 CFEDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@@H](C)CC#N)c(=O)c2c1 ZINC000164597565 379019409 /nfs/dbraw/zinc/01/94/09/379019409.db2.gz WIBSHHAOADWFMN-LBPRGKRZSA-N -1 3 297.358 2.931 20 30 CFEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000335310568 379059050 /nfs/dbraw/zinc/05/90/50/379059050.db2.gz IQPLDHUWIMTXSG-CYBMUJFWSA-N -1 3 288.347 2.531 20 30 CFEDHM C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000278697703 194109696 /nfs/dbraw/zinc/10/96/96/194109696.db2.gz BAYNBGXGVRMCLH-CYBMUJFWSA-N -1 3 269.728 2.620 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000335402694 379226150 /nfs/dbraw/zinc/22/61/50/379226150.db2.gz JWWQYHQMOPDUDM-UHFFFAOYSA-N -1 3 256.261 2.726 20 30 CFEDHM N#C[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000334462140 379342458 /nfs/dbraw/zinc/34/24/58/379342458.db2.gz QCSIZNZOZJEOLA-ZDUSSCGKSA-N -1 3 270.263 2.526 20 30 CFEDHM CCCOc1ccc(/C=N/C[C@H](C)C(=O)OCC)c([O-])c1 ZINC000175899897 380152883 /nfs/dbraw/zinc/15/28/83/380152883.db2.gz YYUMTWHZGYSBPE-OOIIIRTPSA-N -1 3 293.363 2.799 20 30 CFEDHM CC(C)(C#N)CCC[S@@](=O)c1ccc([O-])cc1 ZINC000177101422 380304561 /nfs/dbraw/zinc/30/45/61/380304561.db2.gz BEENPMPIZTWFSV-QGZVFWFLSA-N -1 3 251.351 2.830 20 30 CFEDHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000279089631 194279629 /nfs/dbraw/zinc/27/96/29/194279629.db2.gz NHMDBTMTQWNMGB-RYUDHWBXSA-N -1 3 282.347 2.774 20 30 CFEDHM CC(C)c1cc(C(=O)[N-]c2nn(C(C)C)cc2C#N)no1 ZINC000179346451 380533442 /nfs/dbraw/zinc/53/34/42/380533442.db2.gz BUPGLBHTDDZSTO-UHFFFAOYSA-N -1 3 287.323 2.699 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1cccc(OC)c1[O-] ZINC000179791503 380582032 /nfs/dbraw/zinc/58/20/32/380582032.db2.gz IQBBSKLMOPYQIT-NSHDSACASA-N -1 3 263.337 2.875 20 30 CFEDHM CC(C)c1cc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)no1 ZINC000295424089 380846447 /nfs/dbraw/zinc/84/64/47/380846447.db2.gz XEINPFNDFIFPTA-UHFFFAOYSA-N -1 3 285.307 2.522 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000287612579 380882626 /nfs/dbraw/zinc/88/26/26/380882626.db2.gz ZTZUUYVTUVNPRJ-QMMMGPOBSA-N -1 3 292.763 2.507 20 30 CFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(O)cc1[O-] ZINC000182387138 381081738 /nfs/dbraw/zinc/08/17/38/381081738.db2.gz KDUMZPPPFBDXPH-UHFFFAOYSA-N -1 3 290.363 2.890 20 30 CFEDHM CC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000182866519 381174598 /nfs/dbraw/zinc/17/45/98/381174598.db2.gz USCXORKPPATARM-CQSZACIVSA-N -1 3 264.284 2.774 20 30 CFEDHM N#CC(=C([O-])c1ccnc2ccccc21)c1ccncn1 ZINC000354405749 381247033 /nfs/dbraw/zinc/24/70/33/381247033.db2.gz JCKBKZPDQHPKNA-ZDUSSCGKSA-N -1 3 274.283 2.515 20 30 CFEDHM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1ccncn1 ZINC000354460910 381286164 /nfs/dbraw/zinc/28/61/64/381286164.db2.gz GGGOETDXMYTLBO-SECBINFHSA-N -1 3 275.670 2.759 20 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2.596 20 30 CFEDHM N#Cc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000349358578 381907327 /nfs/dbraw/zinc/90/73/27/381907327.db2.gz WOBPUQCGTVICCX-UHFFFAOYSA-N -1 3 289.298 2.596 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000299451187 381948825 /nfs/dbraw/zinc/94/88/25/381948825.db2.gz ZCQSBRLOUSYCMS-CYBMUJFWSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000299451187 381948830 /nfs/dbraw/zinc/94/88/30/381948830.db2.gz ZCQSBRLOUSYCMS-CYBMUJFWSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000299451187 381948834 /nfs/dbraw/zinc/94/88/34/381948834.db2.gz ZCQSBRLOUSYCMS-CYBMUJFWSA-N -1 3 260.297 2.606 20 30 CFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc([O-])c(CC)c1 ZINC000293024764 381954620 /nfs/dbraw/zinc/95/46/20/381954620.db2.gz VAIOIIXMBJDLAG-GOEBONIOSA-N -1 3 289.375 2.666 20 30 CFEDHM C=CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000351707713 382057171 /nfs/dbraw/zinc/05/71/71/382057171.db2.gz AMLHVWSBSUNFEO-UHFFFAOYSA-N -1 3 299.701 2.823 20 30 CFEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Cl)cn1 ZINC000293398126 382108787 /nfs/dbraw/zinc/10/87/87/382108787.db2.gz GKGALXPQSVKWDZ-UHFFFAOYSA-N -1 3 260.671 2.563 20 30 CFEDHM C=CC[C@@H](CO)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000302143818 382210171 /nfs/dbraw/zinc/21/01/71/382210171.db2.gz QDEYCQYWVRWHNH-NSHDSACASA-N -1 3 279.727 2.739 20 30 CFEDHM C=CCOc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000187459330 382189333 /nfs/dbraw/zinc/18/93/33/382189333.db2.gz JKFWEWDEVLVNJI-UHFFFAOYSA-N -1 3 294.314 2.775 20 30 CFEDHM C=CCOc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000187459330 382189338 /nfs/dbraw/zinc/18/93/38/382189338.db2.gz JKFWEWDEVLVNJI-UHFFFAOYSA-N -1 3 294.314 2.775 20 30 CFEDHM C=CCOc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000187459330 382189341 /nfs/dbraw/zinc/18/93/41/382189341.db2.gz JKFWEWDEVLVNJI-UHFFFAOYSA-N -1 3 294.314 2.775 20 30 CFEDHM N#CC(=C([O-])c1cc2ccsc2[nH]1)c1ccncn1 ZINC000680618822 542343273 /nfs/dbraw/zinc/34/32/73/542343273.db2.gz 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298.346 2.855 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000116905626 326795486 /nfs/dbraw/zinc/79/54/86/326795486.db2.gz KFPPQXMTAMLJMF-QMMMGPOBSA-N -1 3 277.748 2.722 20 30 CFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(OC)cc1[O-] ZINC000398248900 326876587 /nfs/dbraw/zinc/87/65/87/326876587.db2.gz KQVBQQFWDNJBIF-NSHDSACASA-N -1 3 263.337 2.875 20 30 CFEDHM N#CCc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255149543 326952723 /nfs/dbraw/zinc/95/27/23/326952723.db2.gz MKTSQLDGAMZZJU-UTCJRWHESA-N -1 3 279.299 2.505 20 30 CFEDHM CCCn1nc(C)c(C([O-])=C(C#N)c2ccccn2)c1C ZINC000150928037 327399902 /nfs/dbraw/zinc/39/99/02/327399902.db2.gz GBIKSQGDEOJIJP-CYBMUJFWSA-N -1 3 282.347 2.795 20 30 CFEDHM Cc1cscc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000569814028 327549064 /nfs/dbraw/zinc/54/90/64/327549064.db2.gz ASQPSWWSKWONKK-UHFFFAOYSA-N -1 3 272.395 2.738 20 30 CFEDHM CCCCn1cc(C([O-])=C(C#N)c2ccccn2)c(C)n1 ZINC000187475681 329357889 /nfs/dbraw/zinc/35/78/89/329357889.db2.gz FEVFRQFSEMJLGE-CYBMUJFWSA-N -1 3 282.347 2.877 20 30 CFEDHM C=CCOc1cccnc1C(=O)Nc1ccc([O-])cc1F ZINC000124535379 329571508 /nfs/dbraw/zinc/57/15/08/329571508.db2.gz MARBKWZKOWZRIR-UHFFFAOYSA-N -1 3 288.278 2.743 20 30 CFEDHM C=CCN(CC=C)C(=O)c1cc([O-])ccc1Cl ZINC000236631393 329689271 /nfs/dbraw/zinc/68/92/71/329689271.db2.gz BZGUVWGZXWJJDX-UHFFFAOYSA-N -1 3 251.713 2.860 20 30 CFEDHM C=CCN(Cc1ccccc1F)[C@@H](CC)C(=O)[O-] ZINC000263140135 330045535 /nfs/dbraw/zinc/04/55/35/330045535.db2.gz OBIUGTIQQMJIFA-ZDUSSCGKSA-N -1 3 251.301 2.677 20 30 CFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271242951 330078566 /nfs/dbraw/zinc/07/85/66/330078566.db2.gz FOCXIHURQJEDFZ-UHFFFAOYSA-N -1 3 289.253 2.597 20 30 CFEDHM COc1ccc([O-])c(C(=O)N(CCC#N)CCC(C)C)c1 ZINC000084410046 330361827 /nfs/dbraw/zinc/36/18/27/330361827.db2.gz SICDYPIONBCZRJ-UHFFFAOYSA-N -1 3 290.363 2.803 20 30 CFEDHM N#CCCN(Cc1ccco1)C(=O)c1ccccc1[O-] ZINC000120793893 330392145 /nfs/dbraw/zinc/39/21/45/330392145.db2.gz HEJXLIVJHISWGT-UHFFFAOYSA-N -1 3 270.288 2.541 20 30 CFEDHM Cc1cccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1[O-] ZINC000152192678 330630486 /nfs/dbraw/zinc/63/04/86/330630486.db2.gz MBENZTHKKSMBJI-BDJLRTHQSA-N -1 3 272.348 2.903 20 30 CFEDHM C=CCOc1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000436711533 330683177 /nfs/dbraw/zinc/68/31/77/330683177.db2.gz JDMPOGWMYARTBE-UHFFFAOYSA-N -1 3 299.326 2.593 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000450939218 331008218 /nfs/dbraw/zinc/00/82/18/331008218.db2.gz PZSQLQVVUIOLHD-KYOSRNDESA-N -1 3 287.359 2.824 20 30 CFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451489018 331031297 /nfs/dbraw/zinc/03/12/97/331031297.db2.gz JVWLQLXFJGMXCB-JTQLQIEISA-N -1 3 259.396 2.690 20 30 CFEDHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C[C@H](C)C#N ZINC000459319467 331276099 /nfs/dbraw/zinc/27/60/99/331276099.db2.gz DNMPUCKMMKEENI-CYBMUJFWSA-N -1 3 296.374 2.831 20 30 CFEDHM C[C@@H](C#N)CN(C)Cc1cccc([O-])c1Br ZINC000459326678 331276357 /nfs/dbraw/zinc/27/63/57/331276357.db2.gz NGMBZNRHVVDNEO-VIFPVBQESA-N -1 3 283.169 2.746 20 30 CFEDHM N#CC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000459327070 331276417 /nfs/dbraw/zinc/27/64/17/331276417.db2.gz NVIHZYSFMFLINS-UHFFFAOYSA-N -1 3 294.358 2.585 20 30 CFEDHM C=CCN(C)Cc1cccc([O-])c1Br ZINC000459499836 331285092 /nfs/dbraw/zinc/28/50/92/331285092.db2.gz MHJBUHGVWGNIEI-UHFFFAOYSA-N -1 3 256.143 2.773 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1NCc1cccc([O-])c1Br ZINC000459570574 331288495 /nfs/dbraw/zinc/28/84/95/331288495.db2.gz DSISSHHTAKISKW-PWSUYJOCSA-N -1 3 298.180 2.588 20 30 CFEDHM C=CCn1c(CC2CCCC2)n[n-]c1=NC(C)(C)C ZINC000463103765 331340508 /nfs/dbraw/zinc/34/05/08/331340508.db2.gz XHJMVLCYXBHSNC-UHFFFAOYSA-N -1 3 262.401 2.829 20 30 CFEDHM C#C[C@H](NCc1nc(C)ccc1[O-])c1ccc(F)cc1 ZINC000491633004 332254732 /nfs/dbraw/zinc/25/47/32/332254732.db2.gz PMTCGROPWAZDIJ-AWEZNQCLSA-N -1 3 270.307 2.699 20 30 CFEDHM C#C[C@H](CC)NCc1cc(Cl)c([O-])c(OCC)c1 ZINC000491808044 332361139 /nfs/dbraw/zinc/36/11/39/332361139.db2.gz UFNZNDLWDVZPFC-LLVKDONJSA-N -1 3 267.756 2.946 20 30 CFEDHM C=CCN(CCc1ccco1)C(=O)/C=C/c1cncc([O-])c1 ZINC000492405328 332395775 /nfs/dbraw/zinc/39/57/75/332395775.db2.gz JWVXKSMVNWSNQW-AATRIKPKSA-N -1 3 298.342 2.651 20 30 CFEDHM C=CCO[N-]C(=O)/C=C\c1ccc(OCC)c(OCC)c1 ZINC000492951571 332419932 /nfs/dbraw/zinc/41/99/32/332419932.db2.gz FWBVIMHRDNWNDA-NTMALXAHSA-N -1 3 291.347 2.731 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C/c1ccccc1OCC ZINC000493564605 332445292 /nfs/dbraw/zinc/44/52/92/332445292.db2.gz JMVVVEIXWDUSJO-MDZDMXLPSA-N -1 3 261.321 2.722 20 30 CFEDHM CCOc1cc(CNC[C@@H](C)C#N)cc(Cl)c1[O-] ZINC000521826972 333191487 /nfs/dbraw/zinc/19/14/87/333191487.db2.gz NUGGTIYJGWKCQE-VIFPVBQESA-N -1 3 268.744 2.694 20 30 CFEDHM C#CCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000191125511 333215735 /nfs/dbraw/zinc/21/57/35/333215735.db2.gz WNIBUXKRALKKLL-UHFFFAOYSA-N -1 3 295.338 2.676 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000529511662 333492053 /nfs/dbraw/zinc/49/20/53/333492053.db2.gz KDNZXEUAJUHWNJ-KBPBESRZSA-N -1 3 263.312 2.943 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134186308 334083352 /nfs/dbraw/zinc/08/33/52/334083352.db2.gz VPOCDPIVRGEZER-UHFFFAOYSA-N -1 3 272.226 2.899 20 30 CFEDHM C=CCC[C@@H](C(=O)N=c1cc(OC)n(C)[n-]1)c1ccccc1 ZINC000547654890 334106599 /nfs/dbraw/zinc/10/65/99/334106599.db2.gz YNBDKLAWWNWXEV-CQSZACIVSA-N -1 3 299.374 2.539 20 30 CFEDHM CCCn1c(=O)[n-]nc1SCC#Cc1ccc(F)cc1 ZINC000135262108 334122461 /nfs/dbraw/zinc/12/24/61/334122461.db2.gz LQVCGPPHRNIPGX-UHFFFAOYSA-N -1 3 291.351 2.677 20 30 CFEDHM CCCn1c(SCc2ccc(CC#N)cc2)n[n-]c1=O ZINC000342194109 335178092 /nfs/dbraw/zinc/17/80/92/335178092.db2.gz CASWRLHRYJIOMW-UHFFFAOYSA-N -1 3 288.376 2.752 20 30 CFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000553538279 334390576 /nfs/dbraw/zinc/39/05/76/334390576.db2.gz FRYQQNCXDWLLPQ-JTQLQIEISA-N -1 3 289.347 2.988 20 30 CFEDHM CC(C)(CC#N)CSc1n[n-]c(-c2ccccn2)n1 ZINC000581618550 336113485 /nfs/dbraw/zinc/11/34/85/336113485.db2.gz GGGSAFLWROBFPH-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581952537 336178115 /nfs/dbraw/zinc/17/81/15/336178115.db2.gz NFBXISJURVDIGS-UHFFFAOYSA-N -1 3 289.379 2.878 20 30 CFEDHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cccnc1C#N ZINC000232976122 521044788 /nfs/dbraw/zinc/04/47/88/521044788.db2.gz RGYBXJRVKNOTIH-GFCCVEGCSA-N -1 3 295.408 2.590 20 30 CFEDHM CCCc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000355096209 528599109 /nfs/dbraw/zinc/59/91/09/528599109.db2.gz ISQCQAXBHJQUMU-OAHLLOKOSA-N -1 3 294.358 2.931 20 30 CFEDHM CCCOc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354481176 528736839 /nfs/dbraw/zinc/73/68/39/528736839.db2.gz XZNYWRILGCJXEQ-AWEZNQCLSA-N -1 3 281.315 2.755 20 30 CFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744031148 574049878 /nfs/dbraw/zinc/04/98/78/574049878.db2.gz RONAWINWSUTPRV-XPSMFNQNSA-N -1 3 298.342 2.699 20 30 CFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=CC1CC1 ZINC000744028209 574050001 /nfs/dbraw/zinc/05/00/01/574050001.db2.gz IGUMZLXMTASROA-AEZGRPFRSA-N -1 3 288.734 2.954 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@H]1CCOC(C)(C)C1 ZINC000753885588 574052339 /nfs/dbraw/zinc/05/23/39/574052339.db2.gz RLKIJMDCDGGUHQ-OKHBPPCESA-N -1 3 263.337 2.777 20 30 CFEDHM Cc1csc([C@@H](C)/N=C\c2ccc(O)c([O-])c2O)n1 ZINC000727653734 574059211 /nfs/dbraw/zinc/05/92/11/574059211.db2.gz YEKQFURPTKRPGI-PQQJQZLFSA-N -1 3 278.333 2.748 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000753996417 574062204 /nfs/dbraw/zinc/06/22/04/574062204.db2.gz UCUBPKLIMFLNLN-JILQRJAQSA-N -1 3 276.380 2.832 20 30 CFEDHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[O-] ZINC000727868121 574069700 /nfs/dbraw/zinc/06/97/00/574069700.db2.gz KCOXULQWBOPSCL-UHFFFAOYSA-N -1 3 268.725 2.891 20 30 CFEDHM Cc1c(NN=C2COc3cc([O-])ccc32)cccc1[N+](=O)[O-] ZINC000727973266 574075443 /nfs/dbraw/zinc/07/54/43/574075443.db2.gz GIFDYRUVMGQMOU-UHFFFAOYSA-N -1 3 299.286 2.817 20 30 CFEDHM Cc1cc(C)c(CN=Cc2ccccc2[O-])c(=O)[nH]1 ZINC000730547453 574087028 /nfs/dbraw/zinc/08/70/28/574087028.db2.gz URKSCLTWFLIJPO-PXNMLYILSA-N -1 3 256.305 2.729 20 30 CFEDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494363 574145317 /nfs/dbraw/zinc/14/53/17/574145317.db2.gz NCTJUPOYXDRQCU-INIZCTEOSA-N -1 3 296.326 2.522 20 30 CFEDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737494363 574145319 /nfs/dbraw/zinc/14/53/19/574145319.db2.gz NCTJUPOYXDRQCU-INIZCTEOSA-N -1 3 296.326 2.522 20 30 CFEDHM COc1cccc([O-])c1/C=N/[C@@H](C)C(=O)Nc1ccccc1 ZINC000732529086 574159749 /nfs/dbraw/zinc/15/97/49/574159749.db2.gz OKOZKLCXSPYGBH-HWQJWEFDSA-N -1 3 298.342 2.847 20 30 CFEDHM COc1cccc([O-])c1/C=N\[C@@H](C)C(=O)Nc1ccccc1 ZINC000732529089 574160403 /nfs/dbraw/zinc/16/04/03/574160403.db2.gz OKOZKLCXSPYGBH-SJWFJVLYSA-N -1 3 298.342 2.847 20 30 CFEDHM CCn1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)cn1 ZINC000732530835 574160479 /nfs/dbraw/zinc/16/04/79/574160479.db2.gz SZIKHPFBXLBDGS-GQCTYLIASA-N -1 3 256.305 2.813 20 30 CFEDHM [O-]c1cccc(Cl)c1CN=Nc1ccc(Cl)nn1 ZINC000755482159 574164738 /nfs/dbraw/zinc/16/47/38/574164738.db2.gz YAMBLFMOHDKWRK-UHFFFAOYSA-N -1 3 283.118 2.935 20 30 CFEDHM Cc1ccc(F)c2c1C(=NNc1ccccc1)C(=O)[N-]2 ZINC000732709439 574166683 /nfs/dbraw/zinc/16/66/83/574166683.db2.gz ACDSKDASIBDHOB-UHFFFAOYSA-N -1 3 269.279 2.902 20 30 CFEDHM Cc1nn(C)cc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000755585554 574169430 /nfs/dbraw/zinc/16/94/30/574169430.db2.gz VKYWZDDQPGCQMP-JMUHATKESA-N -1 3 286.306 2.957 20 30 CFEDHM COC(=O)CCc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000729149015 574179694 /nfs/dbraw/zinc/17/96/94/574179694.db2.gz GNNHFRWJAISTDH-UHFFFAOYSA-N -1 3 299.326 2.954 20 30 CFEDHM CCOc1ccc(/C=N/C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000729150479 574179763 /nfs/dbraw/zinc/17/97/63/574179763.db2.gz VVWILFJXAZVSBG-PUMYGXPMSA-N -1 3 299.370 2.813 20 30 CFEDHM CC(C)(C)CN(CCC#N)CC1CCN(C(=O)[O-])CC1 ZINC000738698447 574180987 /nfs/dbraw/zinc/18/09/87/574180987.db2.gz RJTIGUATWAREAX-UHFFFAOYSA-N -1 3 281.400 2.638 20 30 CFEDHM COc1ccc(CCNN=Cc2cc(F)ccc2[O-])cc1 ZINC000755732641 574182633 /nfs/dbraw/zinc/18/26/33/574182633.db2.gz GJYRDNDWLPEHFD-UHFFFAOYSA-N -1 3 288.322 2.706 20 30 CFEDHM N#CCCCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739072591 574196683 /nfs/dbraw/zinc/19/66/83/574196683.db2.gz JVTYXBIWCLGNOL-UHFFFAOYSA-N -1 3 282.290 2.545 20 30 CFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=C3CCC3)nc1-2 ZINC000756295406 574222363 /nfs/dbraw/zinc/22/23/63/574222363.db2.gz QFJOJBUWGOZWLK-LLVKDONJSA-N -1 3 266.304 2.553 20 30 CFEDHM CCCOC(=O)CC/N=C/c1ccc(OCC)cc1[O-] ZINC000730147749 574255605 /nfs/dbraw/zinc/25/56/05/574255605.db2.gz RTVCBAOCMFRDLS-LFIBNONCSA-N -1 3 279.336 2.553 20 30 CFEDHM CCOc1ccc(/C=N\C[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000741465498 574291589 /nfs/dbraw/zinc/29/15/89/574291589.db2.gz VMHYNZVHKTWGFT-FNTDYBJHSA-N -1 3 289.331 2.711 20 30 CFEDHM C=CC[C@H](NC(=O)c1cc([O-])cs1)c1ccncc1 ZINC000734555361 574292679 /nfs/dbraw/zinc/29/26/79/574292679.db2.gz QABMQGQFLRNUQB-LBPRGKRZSA-N -1 3 274.345 2.896 20 30 CFEDHM CN1CCN(N=Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000749444045 574295604 /nfs/dbraw/zinc/29/56/04/574295604.db2.gz QBTHWGSGNQUUEW-UHFFFAOYSA-N -1 3 295.386 2.641 20 30 CFEDHM Fc1ccc2oc(C=N[N-]c3[nH+]cnc4[n-]cnc43)cc2c1 ZINC000741762763 574301318 /nfs/dbraw/zinc/30/13/18/574301318.db2.gz SOGNSGRIUTVCCC-UHFFFAOYSA-N -1 3 296.265 2.684 20 30 CFEDHM COc1cccc([O-])c1/C=N/C[C@@](C)(O)c1cccs1 ZINC000739427169 574310218 /nfs/dbraw/zinc/31/02/18/574310218.db2.gz QSVSKNNUSDWYAX-INQNZLQJSA-N -1 3 291.372 2.789 20 30 CFEDHM CC1(C)CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000749858051 574313049 /nfs/dbraw/zinc/31/30/49/574313049.db2.gz JMOPDENCTDVATN-UHFFFAOYSA-N -1 3 280.393 2.672 20 30 CFEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1OC ZINC000735206498 574316433 /nfs/dbraw/zinc/31/64/33/574316433.db2.gz LDHBVHRAMUAOJL-LHXVZLOVSA-N -1 3 286.331 2.699 20 30 CFEDHM C=CCCSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000735415862 574324738 /nfs/dbraw/zinc/32/47/38/574324738.db2.gz AGMJJNJZKATFBL-UHFFFAOYSA-N -1 3 261.354 2.547 20 30 CFEDHM C=CCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000735415862 574324739 /nfs/dbraw/zinc/32/47/39/574324739.db2.gz AGMJJNJZKATFBL-UHFFFAOYSA-N -1 3 261.354 2.547 20 30 CFEDHM N#Cc1ccc(F)c(COC(=O)c2ccc(F)cc2[O-])c1 ZINC000750159944 574328882 /nfs/dbraw/zinc/32/88/82/574328882.db2.gz QRIKFOKHQZHWDS-UHFFFAOYSA-N -1 3 289.237 2.899 20 30 CFEDHM CC(N=Nc1cccnn1)c1cc(Cl)ccc1[O-] ZINC000735973459 574345894 /nfs/dbraw/zinc/34/58/94/574345894.db2.gz KQFIUVHAUOMEOE-UHFFFAOYSA-N -1 3 262.700 2.672 20 30 CFEDHM CCOc1ccc(/C=N\C[C@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000743043912 574352534 /nfs/dbraw/zinc/35/25/34/574352534.db2.gz BWYYZUULUHZAHX-NJPLLEPOSA-N -1 3 293.363 2.798 20 30 CFEDHM COc1ccc(NN=Cc2c([O-])cccc2OC)cc1 ZINC000750925658 574363392 /nfs/dbraw/zinc/36/33/92/574363392.db2.gz RKXYUGQDFNGWDN-UHFFFAOYSA-N -1 3 272.304 2.855 20 30 CFEDHM CCOc1ccc(/C=N\Cc2ncccc2F)c([O-])c1 ZINC000751518010 574378197 /nfs/dbraw/zinc/37/81/97/574378197.db2.gz SOKUIGJAUGZNQN-MFOYZWKCSA-N -1 3 274.295 2.944 20 30 CFEDHM N#Cc1ccc(C(=O)Oc2c(F)c(F)cc(F)c2F)[n-]1 ZINC000752479578 574391770 /nfs/dbraw/zinc/39/17/70/574391770.db2.gz YJMCBRMSOVFCOB-UHFFFAOYSA-N -1 3 284.168 2.662 20 30 CFEDHM C[C@H](OC(=O)c1ccc(C#N)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000752484786 574391780 /nfs/dbraw/zinc/39/17/80/574391780.db2.gz WXKXGERPXXHGEX-VIFPVBQESA-N -1 3 285.259 2.713 20 30 CFEDHM Cc1c(C#N)cccc1NCc1ccccc1-c1nnn[n-]1 ZINC000822015119 607256329 /nfs/dbraw/zinc/25/63/29/607256329.db2.gz CVLRUEBOMMDSCC-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(C#N)cccc1NCc1ccccc1-c1nn[n-]n1 ZINC000822015119 607256330 /nfs/dbraw/zinc/25/63/30/607256330.db2.gz CVLRUEBOMMDSCC-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1c(NCCCC(C)(C)C#N)cccc1-c1nnn[n-]1 ZINC000822123039 607256977 /nfs/dbraw/zinc/25/69/77/607256977.db2.gz SYTUJNRATRZDQB-UHFFFAOYSA-N -1 3 284.367 2.917 20 30 CFEDHM Cc1c(NCCCC(C)(C)C#N)cccc1-c1nn[n-]n1 ZINC000822123039 607256978 /nfs/dbraw/zinc/25/69/78/607256978.db2.gz SYTUJNRATRZDQB-UHFFFAOYSA-N -1 3 284.367 2.917 20 30 CFEDHM C=CCN(C/C=C(\C)C(=O)[O-])Cc1ccc(OC)cc1 ZINC000825682280 601156920 /nfs/dbraw/zinc/15/69/20/601156920.db2.gz VWKNPQYJCOVEEI-UKTHLTGXSA-N -1 3 275.348 2.714 20 30 CFEDHM N#Cc1cccc([C@H](NCc2ccc(F)cc2)C(=O)[O-])c1 ZINC000833074897 601297860 /nfs/dbraw/zinc/29/78/60/601297860.db2.gz GIBDLJJABGSORC-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825624831 603977321 /nfs/dbraw/zinc/97/73/21/603977321.db2.gz ZITYEMCCUKDXNO-MAZHCROVSA-N -1 3 299.374 2.836 20 30 CFEDHM C[C@H]1C[C@H](C)CN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591379 604602307 /nfs/dbraw/zinc/60/23/07/604602307.db2.gz LMKVMAMETDCMPP-RYUDHWBXSA-N -1 3 272.348 2.734 20 30 CFEDHM C[C@H]1CC[C@H](C)N1Cc1cccc(C(=O)[O-])c1C#N ZINC000833602380 604614099 /nfs/dbraw/zinc/61/40/99/604614099.db2.gz IKKCXFAAHPIPKR-QWRGUYRKSA-N -1 3 258.321 2.629 20 30 CFEDHM C#CCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833365566 605065729 /nfs/dbraw/zinc/06/57/29/605065729.db2.gz UKSAWXCOHCPJSZ-NSHDSACASA-N -1 3 272.131 2.732 20 30 CFEDHM C=CCN(CCc1ccco1)Cc1ccc(C(=O)[O-])o1 ZINC000833374422 605476783 /nfs/dbraw/zinc/47/67/83/605476783.db2.gz IQIIEOGFVJWKEB-UHFFFAOYSA-N -1 3 275.304 2.802 20 30 CFEDHM N#CCC[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000833967879 605645535 /nfs/dbraw/zinc/64/55/35/605645535.db2.gz HVSUMNUIQZHJAZ-CABCVRRESA-N -1 3 287.363 2.763 20 30 CFEDHM N#CCC1CCN(Cc2cccc3c2N(C(=O)[O-])CC3)CC1 ZINC000833967784 605914972 /nfs/dbraw/zinc/91/49/72/605914972.db2.gz GYZYQHQTWIUEDQ-UHFFFAOYSA-N -1 3 299.374 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000822224966 606454241 /nfs/dbraw/zinc/45/42/41/606454241.db2.gz HWLZUIFAWKPQGD-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM Cc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000822224966 606454242 /nfs/dbraw/zinc/45/42/42/606454242.db2.gz HWLZUIFAWKPQGD-UHFFFAOYSA-N -1 3 290.330 2.659 20 30 CFEDHM C=C(C)COCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819722313 606791297 /nfs/dbraw/zinc/79/12/97/606791297.db2.gz GLDAKDPPWLSABI-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=C(C)COCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819722313 606791299 /nfs/dbraw/zinc/79/12/99/606791299.db2.gz GLDAKDPPWLSABI-UHFFFAOYSA-N -1 3 293.758 2.525 20 30 CFEDHM C=CCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819759336 606840369 /nfs/dbraw/zinc/84/03/69/606840369.db2.gz UVRKQENRDUHECH-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819759336 606840370 /nfs/dbraw/zinc/84/03/70/606840370.db2.gz UVRKQENRDUHECH-UHFFFAOYSA-N -1 3 276.365 2.555 20 30 CFEDHM C=CCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819740227 607030687 /nfs/dbraw/zinc/03/06/87/607030687.db2.gz VAZMOTHTIDIBAT-UHFFFAOYSA-N -1 3 295.140 2.584 20 30 CFEDHM C=CCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819740227 607030685 /nfs/dbraw/zinc/03/06/85/607030685.db2.gz VAZMOTHTIDIBAT-UHFFFAOYSA-N -1 3 295.140 2.584 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823894917 608332601 /nfs/dbraw/zinc/33/26/01/608332601.db2.gz ZOZMSYDDHPCOLG-NSHDSACASA-N -1 3 286.335 2.768 20 30 CFEDHM C=CCCC[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823894917 608332603 /nfs/dbraw/zinc/33/26/03/608332603.db2.gz ZOZMSYDDHPCOLG-NSHDSACASA-N -1 3 286.335 2.768 20 30 CFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCC1 ZINC000823953533 608539754 /nfs/dbraw/zinc/53/97/54/608539754.db2.gz FJBAJKDIYQJBSD-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCC1 ZINC000823953533 608539756 /nfs/dbraw/zinc/53/97/56/608539756.db2.gz FJBAJKDIYQJBSD-UHFFFAOYSA-N -1 3 291.746 2.503 20 30 CFEDHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)N([O-])Cc1ccc(F)cc1 ZINC000900679362 620701000 /nfs/dbraw/zinc/70/10/00/620701000.db2.gz OHRZGCFZURCNLP-CABCVRRESA-N -1 3 293.338 2.891 20 30 CFEDHM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N([O-])Cc1ccc(F)cc1 ZINC000900677663 620701265 /nfs/dbraw/zinc/70/12/65/620701265.db2.gz ALBQWFDUIVLQAO-OPTZYUCBSA-N -1 3 275.323 2.836 20 30 CFEDHM Cc1ccc(F)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826289890 609304274 /nfs/dbraw/zinc/30/42/74/609304274.db2.gz QOSWWJTUZJVABO-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM Cc1ccc(F)cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826289890 609304276 /nfs/dbraw/zinc/30/42/76/609304276.db2.gz QOSWWJTUZJVABO-UHFFFAOYSA-N -1 3 296.309 2.760 20 30 CFEDHM CCCCN([O-])C(=O)[C@]1(c2ccccc2)CCCO1 ZINC000900682179 620701811 /nfs/dbraw/zinc/70/18/11/620701811.db2.gz KKPODZAWGDWVNL-OAHLLOKOSA-N -1 3 263.337 2.710 20 30 CFEDHM CCCCN([O-])C(=O)c1ccc(CN2CCCCC2)o1 ZINC000900683038 620702043 /nfs/dbraw/zinc/70/20/43/620702043.db2.gz SURLYNUZYXDVIJ-UHFFFAOYSA-N -1 3 280.368 2.897 20 30 CFEDHM Clc1cc(NN=Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826351722 609472163 /nfs/dbraw/zinc/47/21/63/609472163.db2.gz XOYFAIRIWHCHSG-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM Clc1cc(NN=Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826351722 609472166 /nfs/dbraw/zinc/47/21/66/609472166.db2.gz XOYFAIRIWHCHSG-UHFFFAOYSA-N -1 3 298.737 2.966 20 30 CFEDHM C#C[C@H]1CCCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000890653234 617738547 /nfs/dbraw/zinc/73/85/47/617738547.db2.gz HFNCYCVKNVSTOX-ZDUSSCGKSA-N -1 3 257.333 2.583 20 30 CFEDHM N#CCCN(Cc1ccc([O-])c(F)c1)Cc1ccccn1 ZINC000891937887 617838469 /nfs/dbraw/zinc/83/84/69/617838469.db2.gz SRBSXNAFKRKAMU-UHFFFAOYSA-N -1 3 285.322 2.842 20 30 CFEDHM COc1cc(/C=C\C(=O)c2cnn(C)c2)cc(Cl)c1[O-] ZINC000255088095 617955528 /nfs/dbraw/zinc/95/55/28/617955528.db2.gz VMNQHCWYFNBZPS-ARJAWSKDSA-N -1 3 292.722 2.684 20 30 CFEDHM C[C@@H](NN=Cc1cc([O-])cc(Cl)c1)C(F)(F)F ZINC000901249901 620772447 /nfs/dbraw/zinc/77/24/47/620772447.db2.gz KUSWBDODNCKQMC-ZCFIWIBFSA-N -1 3 266.650 2.920 20 30 CFEDHM C=C(C)CO[N-]C(=O)CCOc1cc(C)ccc1C ZINC000846540669 618109642 /nfs/dbraw/zinc/10/96/42/618109642.db2.gz GDWHDOJBMDFZOM-UHFFFAOYSA-N -1 3 263.337 2.696 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000846551546 618114415 /nfs/dbraw/zinc/11/44/15/618114415.db2.gz WKKYBWSAJVOLMB-MNOVXSKESA-N -1 3 251.301 2.942 20 30 CFEDHM C=C(Br)CNC(=O)c1cc([O-])ccc1Cl ZINC000236631563 618118481 /nfs/dbraw/zinc/11/84/81/618118481.db2.gz GSGSFAVHOFXORY-UHFFFAOYSA-N -1 3 290.544 2.684 20 30 CFEDHM CC[C@@H](N[C@H]1CCn2ccnc21)c1cccc(C#N)c1[O-] ZINC000926501157 618160358 /nfs/dbraw/zinc/16/03/58/618160358.db2.gz CHCTXGGUZIHYCJ-KGLIPLIRSA-N -1 3 282.347 2.646 20 30 CFEDHM COc1cc(C)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255720899 618269875 /nfs/dbraw/zinc/26/98/75/618269875.db2.gz RTGTXBUVJYMHHD-UHFFFAOYSA-N -1 3 273.288 2.871 20 30 CFEDHM O=C(CSCC(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901372264 620797463 /nfs/dbraw/zinc/79/74/63/620797463.db2.gz VSBSCLSBCZGTFS-UHFFFAOYSA-N -1 3 297.273 2.839 20 30 CFEDHM CC(C)n1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901372031 620797512 /nfs/dbraw/zinc/79/75/12/620797512.db2.gz NVNMEFFENSVGHC-UHFFFAOYSA-N -1 3 291.326 2.564 20 30 CFEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)n1cccc1 ZINC000901374291 620798201 /nfs/dbraw/zinc/79/82/01/620798201.db2.gz HZQYQCCBCMVBJC-GFCCVEGCSA-N -1 3 276.311 2.996 20 30 CFEDHM O=C(Cc1cccc(F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375669 620798565 /nfs/dbraw/zinc/79/85/65/620798565.db2.gz JEXOELRELPTKEV-UHFFFAOYSA-N -1 3 277.270 2.925 20 30 CFEDHM CCCSCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375000 620798719 /nfs/dbraw/zinc/79/87/19/620798719.db2.gz ZYIFNYGUTDDOMI-UHFFFAOYSA-N -1 3 257.330 2.687 20 30 CFEDHM CCn1ncc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)n1 ZINC000901452875 620817302 /nfs/dbraw/zinc/81/73/02/620817302.db2.gz OQLINTMEFCMJCW-KZSPTFSBSA-N -1 3 287.294 2.526 20 30 CFEDHM C=CCSCCNCc1cc(C(=O)[O-])c(CC)o1 ZINC000901441493 620821370 /nfs/dbraw/zinc/82/13/70/620821370.db2.gz IUFVZOCYPIIXOI-UHFFFAOYSA-N -1 3 269.366 2.549 20 30 CFEDHM C#CCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000229644975 618638267 /nfs/dbraw/zinc/63/82/67/618638267.db2.gz XSZUBDBRKKOVGO-UHFFFAOYSA-N -1 3 251.713 2.579 20 30 CFEDHM C=CCOCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085957 618753585 /nfs/dbraw/zinc/75/35/85/618753585.db2.gz ZPQQKYUCSBRQPU-UHFFFAOYSA-N -1 3 296.273 2.860 20 30 CFEDHM C=CCCN(C)Cc1ncc(Br)cc1[O-] ZINC000893929242 619245752 /nfs/dbraw/zinc/24/57/52/619245752.db2.gz FPFFUAIGSNDIFU-UHFFFAOYSA-N -1 3 271.158 2.558 20 30 CFEDHM CC[C@H](C)CON=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000793162896 619534228 /nfs/dbraw/zinc/53/42/28/619534228.db2.gz CXUVFGOFKGOHKG-VIFPVBQESA-N -1 3 282.296 2.706 20 30 CFEDHM N#C[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000896500631 619750472 /nfs/dbraw/zinc/75/04/72/619750472.db2.gz IRGRESLORIIUMW-JTQLQIEISA-N -1 3 295.180 2.890 20 30 CFEDHM Cc1nc(N2CCC(c3ccc(C#N)cc3)CC2)cc(=O)[n-]1 ZINC000896865306 619851038 /nfs/dbraw/zinc/85/10/38/619851038.db2.gz VLAODZJMXMVZAV-UHFFFAOYSA-N -1 3 294.358 2.746 20 30 CFEDHM CC(=NN[C@@H]1CCSC1)c1cc(Cl)ccc1[O-] ZINC000808001304 619934586 /nfs/dbraw/zinc/93/45/86/619934586.db2.gz JAKLBPNZXNCVDQ-SNVBAGLBSA-N -1 3 270.785 2.865 20 30 CFEDHM CC#CCN(C)Cc1cccc([O-])c1Br ZINC000897169969 619943443 /nfs/dbraw/zinc/94/34/43/619943443.db2.gz WBRZIODHUSEXKN-UHFFFAOYSA-N -1 3 268.154 2.610 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898094989 620332528 /nfs/dbraw/zinc/33/25/28/620332528.db2.gz YXHKKSBBQGJFJU-UHFFFAOYSA-N -1 3 293.367 2.906 20 30 CFEDHM C=CC(C)(C)CC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898094989 620332530 /nfs/dbraw/zinc/33/25/30/620332530.db2.gz YXHKKSBBQGJFJU-UHFFFAOYSA-N -1 3 293.367 2.906 20 30 CFEDHM C=CCC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCCC1 ZINC000898222636 620357895 /nfs/dbraw/zinc/35/78/95/620357895.db2.gz VLSBDXLSWMVDTJ-LBPRGKRZSA-N -1 3 289.379 2.568 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC3(CC3)C2)c1[O-] ZINC000899230162 620533467 /nfs/dbraw/zinc/53/34/67/620533467.db2.gz FARFNGIFJXSOLY-AGZSBTIMSA-N -1 3 274.364 2.730 20 30 CFEDHM O=C([C@H]1COc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000899895458 620609709 /nfs/dbraw/zinc/60/97/09/620609709.db2.gz WXWHMPIUXQVLCU-AWEZNQCLSA-N -1 3 287.290 2.720 20 30 CFEDHM C#CCOc1cccc(Cl)c1CN[C@H](C)[C@@H](C)C(=O)[O-] ZINC000901455209 620828128 /nfs/dbraw/zinc/82/81/28/620828128.db2.gz ZNOROBYAOMAFPK-GHMZBOCLSA-N -1 3 295.766 2.551 20 30 CFEDHM C#CCCCCCCSc1ncc(C(=O)OC)[n-]1 ZINC000901537045 620849789 /nfs/dbraw/zinc/84/97/89/620849789.db2.gz YCKRMEGIAIOPBI-UHFFFAOYSA-N -1 3 266.366 2.872 20 30 CFEDHM C=CCOC[C@@H](NCc1c(Cl)cccc1CC)C(=O)[O-] ZINC000901809141 620921314 /nfs/dbraw/zinc/92/13/14/620921314.db2.gz OJPOTFSVUXBYTQ-CQSZACIVSA-N -1 3 297.782 2.648 20 30 CFEDHM C[C@H](NCC(C)(C)C#N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903100283 621252844 /nfs/dbraw/zinc/25/28/44/621252844.db2.gz MGNSCMSRAVYLMI-VIFPVBQESA-N -1 3 263.297 2.501 20 30 CFEDHM C[C@@H](NCC(C)(C)C#N)c1cc(F)cc(F)c1[O-] ZINC000903100516 621252907 /nfs/dbraw/zinc/25/29/07/621252907.db2.gz QXFDMCNUTNOGTF-MRVPVSSYSA-N -1 3 254.280 2.871 20 30 CFEDHM C=CCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903922306 621473808 /nfs/dbraw/zinc/47/38/08/621473808.db2.gz XWHXXILLADDYEO-UHFFFAOYSA-N -1 3 261.321 2.545 20 30 CFEDHM C=C(Br)CN1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903952461 621487985 /nfs/dbraw/zinc/48/79/85/621487985.db2.gz YUUFFNKMPNAJPS-AYHFEMFVSA-N -1 3 290.201 2.715 20 30 CFEDHM CCc1nnsc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904186856 621538764 /nfs/dbraw/zinc/53/87/64/621538764.db2.gz DDEYAHBCUIYHCW-UHFFFAOYSA-N -1 3 297.767 2.786 20 30 CFEDHM Cc1cc(C)n(CC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904187526 621538981 /nfs/dbraw/zinc/53/89/81/621538981.db2.gz NLTFZVMSQHKGGY-UHFFFAOYSA-N -1 3 293.754 2.571 20 30 CFEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(C(F)(F)F)CC1 ZINC000904174442 621542110 /nfs/dbraw/zinc/54/21/10/621542110.db2.gz AUOBLEFOPPCQIM-UHFFFAOYSA-N -1 3 277.217 2.886 20 30 CFEDHM O=C([C@@H]1CCCSC1)N([O-])Cc1ccc(F)cc1 ZINC000904177522 621543189 /nfs/dbraw/zinc/54/31/89/621543189.db2.gz GJMQKXCYOOOVGE-LLVKDONJSA-N -1 3 269.341 2.687 20 30 CFEDHM Cc1cncc(CCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000904177949 621543562 /nfs/dbraw/zinc/54/35/62/621543562.db2.gz UIODZIIIYPEJBB-UHFFFAOYSA-N -1 3 288.322 2.880 20 30 CFEDHM CCCCCCN([O-])C(=O)Cc1ccc(O)c(OC)c1 ZINC000904206821 621544081 /nfs/dbraw/zinc/54/40/81/621544081.db2.gz JPROBCGFVSLLJT-UHFFFAOYSA-N -1 3 281.352 2.741 20 30 CFEDHM CCCCN([O-])C(=O)CCc1ccc(OC)c(OC)c1 ZINC000904207112 621544129 /nfs/dbraw/zinc/54/41/29/621544129.db2.gz QUFNMTBHWJKOEO-UHFFFAOYSA-N -1 3 281.352 2.654 20 30 CFEDHM CCCCN([O-])C(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000904208375 621544603 /nfs/dbraw/zinc/54/46/03/621544603.db2.gz WGMMONLZXRBTLS-UHFFFAOYSA-N -1 3 281.400 2.716 20 30 CFEDHM CCCCN([O-])C(=O)CSc1ccc(OC)cc1 ZINC000904208018 621544611 /nfs/dbraw/zinc/54/46/11/621544611.db2.gz MFRHCDLONAJBDL-UHFFFAOYSA-N -1 3 269.366 2.805 20 30 CFEDHM CCCCN([O-])C(=O)CCc1cccc(OC)c1 ZINC000904207956 621544648 /nfs/dbraw/zinc/54/46/48/621544648.db2.gz JQHQWRHNCWRZQR-UHFFFAOYSA-N -1 3 251.326 2.646 20 30 CFEDHM O=C(C[C@H]1CCCOC1)N([O-])Cc1ccccc1Cl ZINC000904193240 621547006 /nfs/dbraw/zinc/54/70/06/621547006.db2.gz MJHWHGSBDIZGQF-LLVKDONJSA-N -1 3 283.755 2.875 20 30 CFEDHM O=C(CCCF)N([O-])CCCCc1ccccc1 ZINC000904195356 621547284 /nfs/dbraw/zinc/54/72/84/621547284.db2.gz CNEDLWRJOMPPJJ-UHFFFAOYSA-N -1 3 253.317 2.977 20 30 CFEDHM O=C(C[C@@H]1CCOC1)N([O-])CCCCc1ccccc1 ZINC000904196744 621547829 /nfs/dbraw/zinc/54/78/29/621547829.db2.gz FGGHWDLHXVAJAV-HNNXBMFYSA-N -1 3 277.364 2.654 20 30 CFEDHM O=C(CCc1ncc[nH]1)N([O-])CCCCc1ccccc1 ZINC000904197908 621548573 /nfs/dbraw/zinc/54/85/73/621548573.db2.gz PYDMYPLZINIUFI-UHFFFAOYSA-N -1 3 287.363 2.583 20 30 CFEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)c1cncnc1 ZINC000904198185 621548804 /nfs/dbraw/zinc/54/88/04/621548804.db2.gz VYQRAWRKTXLWOA-CQSZACIVSA-N -1 3 299.374 2.821 20 30 CFEDHM CCCCCCN(O)C(=O)c1nnc2ccccc2c1[O-] ZINC000904204779 621550409 /nfs/dbraw/zinc/55/04/09/621550409.db2.gz UZPWWWIMLHZVNM-UHFFFAOYSA-N -1 3 289.335 2.747 20 30 CFEDHM CCCCCCN([O-])C(=O)c1cncc(Cl)n1 ZINC000904204496 621550736 /nfs/dbraw/zinc/55/07/36/621550736.db2.gz MPQCDGUYJARKQC-UHFFFAOYSA-N -1 3 257.721 2.542 20 30 CFEDHM CCCCCCN(O)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000904206011 621550997 /nfs/dbraw/zinc/55/09/97/621550997.db2.gz YFADYMBNCVDRRB-UHFFFAOYSA-N -1 3 295.383 2.530 20 30 CFEDHM CCCCCCN([O-])C(=O)CCc1nccs1 ZINC000904205839 621551016 /nfs/dbraw/zinc/55/10/16/621551016.db2.gz VFXYOPRYDTVEOK-UHFFFAOYSA-N -1 3 256.371 2.874 20 30 CFEDHM CCCCN([O-])C(=O)C1(C(=O)OC(C)(C)C)CC=CC1 ZINC000904214989 621551234 /nfs/dbraw/zinc/55/12/34/621551234.db2.gz VSJLFSJSJBJCJK-UHFFFAOYSA-N -1 3 283.368 2.682 20 30 CFEDHM CCCCN([O-])C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000904212228 621553816 /nfs/dbraw/zinc/55/38/16/621553816.db2.gz BXHMDZRUHPFELW-JTQLQIEISA-N -1 3 266.297 2.716 20 30 CFEDHM CCCCN([O-])C(=O)CCC(=O)c1cccc(F)c1 ZINC000904212905 621554398 /nfs/dbraw/zinc/55/43/98/621554398.db2.gz XPZADKQKZVDZNY-UHFFFAOYSA-N -1 3 267.300 2.807 20 30 CFEDHM CC(=NOC1CCOCC1)c1ccc([O-])cc1Cl ZINC000905461996 621778266 /nfs/dbraw/zinc/77/82/66/621778266.db2.gz LJPYJYATGABWKL-UHFFFAOYSA-N -1 3 269.728 2.965 20 30 CFEDHM C=CCN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907519295 622135154 /nfs/dbraw/zinc/13/51/54/622135154.db2.gz WQNYALMRPBIZHV-UHFFFAOYSA-N -1 3 297.380 2.748 20 30 CFEDHM CCCCCCCCCCC(=O)N[C@H]1CCN([O-])C1=O ZINC000820156540 622619019 /nfs/dbraw/zinc/61/90/19/622619019.db2.gz KWGZTUGGSNWSQZ-ZDUSSCGKSA-N -1 3 284.400 2.624 20 30 CFEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OCC2CCC2)cc1 ZINC000912724468 622768396 /nfs/dbraw/zinc/76/83/96/622768396.db2.gz HTAATJZJPJAMMN-MDZDMXLPSA-N -1 3 273.332 2.582 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000824034122 623437833 /nfs/dbraw/zinc/43/78/33/623437833.db2.gz XRBPTRJWDIUJJH-CFVMTHIKSA-N -1 3 259.349 2.878 20 30 CFEDHM CCCCCCCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825034499 623612212 /nfs/dbraw/zinc/61/22/12/623612212.db2.gz JOZUXENRSVZZSE-UHFFFAOYSA-N -1 3 277.368 2.693 20 30 CFEDHM Cc1cc([O-])c(CN2CC(CC#N)C2)cc1Cl ZINC000826985363 623918502 /nfs/dbraw/zinc/91/85/02/623918502.db2.gz FSHOXWWRECZTDG-UHFFFAOYSA-N -1 3 250.729 2.700 20 30 CFEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000835003537 623927745 /nfs/dbraw/zinc/92/77/45/623927745.db2.gz ZFRWZEOZQIYADZ-ZETCQYMHSA-N -1 3 264.222 2.796 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1csnn1 ZINC000915987634 624204978 /nfs/dbraw/zinc/20/49/78/624204978.db2.gz JDVWDMCWTWKTDF-VWOAIRDFSA-N -1 3 276.292 2.766 20 30 CFEDHM C=C[C@@H](CC)CC(=O)[N-]OCCCC(F)(F)F ZINC000828336174 624230694 /nfs/dbraw/zinc/23/06/94/624230694.db2.gz ORTWIRKBNDVPFJ-VIFPVBQESA-N -1 3 253.264 2.979 20 30 CFEDHM CCOc1cc(C=Nn2c(C)nnc2C)cc(Cl)c1[O-] ZINC000916350162 624239059 /nfs/dbraw/zinc/23/90/59/624239059.db2.gz COECCYSWNFJTJL-UHFFFAOYSA-N -1 3 294.742 2.535 20 30 CFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2ccsc2)c1[O-] ZINC000918712566 624470528 /nfs/dbraw/zinc/47/05/28/624470528.db2.gz OVOZNAIKGPDQHL-SMUOPJFFSA-N -1 3 290.388 2.700 20 30 CFEDHM Clc1cccc2c1CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000921258054 624831966 /nfs/dbraw/zinc/83/19/66/624831966.db2.gz HTSJQTVGOOEHTB-UHFFFAOYSA-N -1 3 298.737 2.769 20 30 CFEDHM COc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Cl)c1[O-] ZINC000068395686 624993582 /nfs/dbraw/zinc/99/35/82/624993582.db2.gz VMNQHCWYFNBZPS-ONEGZZNKSA-N -1 3 292.722 2.684 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn(C)c1 ZINC000834803277 625868739 /nfs/dbraw/zinc/86/87/39/625868739.db2.gz OVMYJBHWEIZVOY-SMSHQHMSSA-N -1 3 272.279 2.648 20 30 CFEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCC1 ZINC000921547049 625984416 /nfs/dbraw/zinc/98/44/16/625984416.db2.gz KQYAUNZSQBRBFJ-ZDUSSCGKSA-N -1 3 278.739 2.858 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@H](C#N)C2CCCC2)c1 ZINC000921558026 625989254 /nfs/dbraw/zinc/98/92/54/625989254.db2.gz LHLVTPBYTMEVIJ-CYBMUJFWSA-N -1 3 290.388 2.926 20 30 CFEDHM C#CCOc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000187206028 626480380 /nfs/dbraw/zinc/48/03/80/626480380.db2.gz ZWXRXNLCMBDJKH-UHFFFAOYSA-N -1 3 281.311 2.965 20 30 CFEDHM CC(CCc1ccc(Cl)s1)=NN=c1cc[n-]n1C ZINC000774411113 626481528 /nfs/dbraw/zinc/48/15/28/626481528.db2.gz AFBXWUGFEZDICB-UHFFFAOYSA-N -1 3 282.800 2.978 20 30 CFEDHM C#CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000758002174 626572107 /nfs/dbraw/zinc/57/21/07/626572107.db2.gz CVRXTNRDSWEJBZ-OAHLLOKOSA-N -1 3 281.311 2.592 20 30 CFEDHM Cn1c(Cl)c(Cl)cc1C([O-])=C(C#N)c1ccncn1 ZINC000760342981 626736923 /nfs/dbraw/zinc/73/69/23/626736923.db2.gz ARRMDYLMRCYIOA-ZETCQYMHSA-N -1 3 295.129 2.612 20 30 CFEDHM N#CC(=C([O-])C=CC1CCCCC1)c1ccncn1 ZINC000760356089 626739406 /nfs/dbraw/zinc/73/94/06/626739406.db2.gz FHWBVPMQZRCNHS-FMFIFOJESA-N -1 3 255.321 2.789 20 30 CFEDHM C=CCCC(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000761363506 626829048 /nfs/dbraw/zinc/82/90/48/626829048.db2.gz OYZKDXQZXRAXJU-UHFFFAOYSA-N -1 3 263.318 2.922 20 30 CFEDHM CC[C@H](CC#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000762719774 626933286 /nfs/dbraw/zinc/93/32/86/626933286.db2.gz SZZMVNRSNONWGF-MRVPVSSYSA-N -1 3 288.244 2.865 20 30 CFEDHM Cc1cccc(C)c1CC/N=C\c1c([O-])c(C)ncc1CO ZINC000764413869 627058504 /nfs/dbraw/zinc/05/85/04/627058504.db2.gz MNPZBFGEELQTHV-GRSHGNNSSA-N -1 3 298.386 2.866 20 30 CFEDHM Cc1c(C)c(C)c(Cn2ccc(C=N[O-])nc2=O)c(C)c1C ZINC000764560472 627071128 /nfs/dbraw/zinc/07/11/28/627071128.db2.gz WMOCZJKFUZVCMZ-UHFFFAOYSA-N -1 3 299.374 2.642 20 30 CFEDHM O=c1[n-]c(N=NC2CC(C(F)F)C2)nc2ccccc21 ZINC000766025420 627172383 /nfs/dbraw/zinc/17/23/83/627172383.db2.gz RKWGCOFYLPOLOE-UHFFFAOYSA-N -1 3 278.262 2.778 20 30 CFEDHM COc1ccc(C([O-])=C(C#N)c2ccccn2)nc1Cl ZINC000766840958 627222235 /nfs/dbraw/zinc/22/22/35/627222235.db2.gz NRULALLIRFYSCD-VIFPVBQESA-N -1 3 287.706 2.629 20 30 CFEDHM COc1cc(C=NNc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000767018201 627231691 /nfs/dbraw/zinc/23/16/91/627231691.db2.gz XFVCTTLOJZYYQM-UHFFFAOYSA-N -1 3 287.275 2.755 20 30 CFEDHM Cc1ccc(N=NCc2cc(Cl)cc(F)c2[O-])nn1 ZINC000768361803 627337448 /nfs/dbraw/zinc/33/74/48/627337448.db2.gz JPOKNYCKIHIGFS-UHFFFAOYSA-N -1 3 280.690 2.729 20 30 CFEDHM CCc1cccc(C(=O)N(CCC#N)CC(C)C)c1[O-] ZINC000769724409 627470347 /nfs/dbraw/zinc/47/03/47/627470347.db2.gz BDXBBMYTQBAIBZ-UHFFFAOYSA-N -1 3 274.364 2.966 20 30 CFEDHM CC(=NNC[C@@H](C)C#N)c1ccc(Br)cc1[O-] ZINC000771099618 627577006 /nfs/dbraw/zinc/57/70/06/627577006.db2.gz QVWLCHXGJRGKGU-QMMMGPOBSA-N -1 3 296.168 2.628 20 30 CFEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccn(C)n1 ZINC000773148943 627788902 /nfs/dbraw/zinc/78/89/02/627788902.db2.gz FVQISNXNGMKBLG-LRUQUBRESA-N -1 3 272.279 2.648 20 30 CFEDHM Cn1[n-]ccc1=NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000774413213 627922599 /nfs/dbraw/zinc/92/25/99/627922599.db2.gz XKGVUNXOJNKKJX-OLHVGHEVSA-N -1 3 295.390 2.551 20 30 CFEDHM C=C(CC)CSCCC[N-]C(=O)C(F)(F)F ZINC000774682125 627948674 /nfs/dbraw/zinc/94/86/74/627948674.db2.gz SOLPFGHQXJTVDB-UHFFFAOYSA-N -1 3 255.305 2.754 20 30 CFEDHM COc1cc(C(=O)OCCC(C)(C)C#N)cc(OC)c1[O-] ZINC000776398567 628143776 /nfs/dbraw/zinc/14/37/76/628143776.db2.gz LFZRYTDCORTUFT-UHFFFAOYSA-N -1 3 293.319 2.506 20 30 CFEDHM Cc1cc(C#N)ccc1COC(=O)c1ccc([O-])cc1 ZINC000777034721 628193451 /nfs/dbraw/zinc/19/34/51/628193451.db2.gz YKBJJGIKKPAJQI-UHFFFAOYSA-N -1 3 267.284 2.929 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cnccc2C)nc(C)n1 ZINC000784834967 628844320 /nfs/dbraw/zinc/84/43/20/628844320.db2.gz WXJXRSAPBNGKCA-FOSCPCJNSA-N -1 3 292.342 2.687 20 30 CFEDHM COc1ccc(NC(=O)/C=C\c2ccccc2C#N)c([O-])c1 ZINC000785427843 628882301 /nfs/dbraw/zinc/88/23/01/628882301.db2.gz VWKMAEKHWLSTHQ-TWGQIWQCSA-N -1 3 294.310 2.924 20 30 CFEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(CC)cc1[O-] ZINC000787276587 629004156 /nfs/dbraw/zinc/00/41/56/629004156.db2.gz YNWFPDOCDKDXAS-UHFFFAOYSA-N -1 3 299.292 2.982 20 30 CFEDHM C=C(C)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845774 629038885 /nfs/dbraw/zinc/03/88/85/629038885.db2.gz SHFZYQLVFQMBOW-UHFFFAOYSA-N -1 3 252.285 2.973 20 30 CFEDHM N#Cc1ccc(COC(=O)c2ccc([O-])cc2)cc1F ZINC000791266364 629295450 /nfs/dbraw/zinc/29/54/50/629295450.db2.gz OYKYEKFKKSCVTB-UHFFFAOYSA-N -1 3 271.247 2.760 20 30 CFEDHM N#CCn1cc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000792111291 629398764 /nfs/dbraw/zinc/39/87/64/629398764.db2.gz ORJWMYSQHIWISA-UHFFFAOYSA-N -1 3 292.298 2.518 20 30 CFEDHM COc1cccc(NN=Cc2c(F)ccc([O-])c2F)n1 ZINC000794529211 629655371 /nfs/dbraw/zinc/65/53/71/629655371.db2.gz ASFLDWVYUVTECO-UHFFFAOYSA-N -1 3 279.246 2.520 20 30 CFEDHM C[C@H]1COC(=O)C1=N[N-]c1ccnc2cc(Cl)ccc12 ZINC000794858557 629696085 /nfs/dbraw/zinc/69/60/85/629696085.db2.gz NKPPLGQCIOIGEY-QMMMGPOBSA-N -1 3 289.722 2.849 20 30 CFEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccncc1 ZINC000794926267 629705464 /nfs/dbraw/zinc/70/54/64/629705464.db2.gz KOWZPHHQINIFBM-HNQUOIGGSA-N -1 3 261.227 2.962 20 30 CFEDHM CCc1cccc(C)c1NN=Cc1c([O-])c(C)ncc1CO ZINC000799493584 630315033 /nfs/dbraw/zinc/31/50/33/630315033.db2.gz HZZFZDLGRFMEAE-UHFFFAOYSA-N -1 3 299.374 2.905 20 30 CFEDHM Cc1c([O-])ccc2c(CN3CC[C@](C)(C#N)C3)cc(=O)oc12 ZINC000852684696 634805792 /nfs/dbraw/zinc/80/57/92/634805792.db2.gz MOEQFCSAYVRMHY-QGZVFWFLSA-N -1 3 298.342 2.543 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CC1=CCCOC1 ZINC000806552791 630809242 /nfs/dbraw/zinc/80/92/42/630809242.db2.gz YUSSLFVKWYHELS-OVCLIPMQSA-N -1 3 251.713 2.811 20 30 CFEDHM C=CCO[N-]C(=O)CCc1cc(Br)cs1 ZINC000837045892 630944057 /nfs/dbraw/zinc/94/40/57/630944057.db2.gz AOOSGKJIBPMJSZ-UHFFFAOYSA-N -1 3 290.182 2.677 20 30 CFEDHM C=CCO[N-]C(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000837045157 630944196 /nfs/dbraw/zinc/94/41/96/630944196.db2.gz YHFNXOZBXOVPFN-UHFFFAOYSA-N -1 3 261.321 2.500 20 30 CFEDHM C=CCO[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000837047802 630945558 /nfs/dbraw/zinc/94/55/58/630945558.db2.gz FQGBGVWMOIEDDV-UHFFFAOYSA-N -1 3 265.740 2.897 20 30 CFEDHM C=CCO[N-]C(=O)Cc1ccc(C)c(Br)c1 ZINC000837047613 630945572 /nfs/dbraw/zinc/94/55/72/630945572.db2.gz CGBUYNUGORONJO-UHFFFAOYSA-N -1 3 284.153 2.534 20 30 CFEDHM C#CCO[N-]C(=O)CCOc1cc(C)ccc1C(C)C ZINC000855607090 635596912 /nfs/dbraw/zinc/59/69/12/635596912.db2.gz WONYYYYKXQQGJR-UHFFFAOYSA-N -1 3 275.348 2.568 20 30 CFEDHM C#CCO[N-]C(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000855606031 635596980 /nfs/dbraw/zinc/59/69/80/635596980.db2.gz FRYISGZTXAPKNC-UHFFFAOYSA-N -1 3 265.740 2.590 20 30 CFEDHM CO[C@@H](C/N=C\c1cc(Br)ccc1[O-])C1CC1 ZINC000840705955 631175038 /nfs/dbraw/zinc/17/50/38/631175038.db2.gz JFFFCMGTKRVHDU-XKBFBRDOSA-N -1 3 298.180 2.999 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CC1=CCOCC1 ZINC000840707931 631175406 /nfs/dbraw/zinc/17/54/06/631175406.db2.gz SWZKTXPKHQFFEW-OQLLNIDSSA-N -1 3 251.713 2.811 20 30 CFEDHM Cc1ncc(CO)c(/C=N\C2CC(C(C)(C)C)C2)c1[O-] ZINC000840706348 631175444 /nfs/dbraw/zinc/17/54/44/631175444.db2.gz LKEUZMUZALMRSE-LSCVHKIXSA-N -1 3 276.380 2.832 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840710629 631175645 /nfs/dbraw/zinc/17/56/45/631175645.db2.gz TXRJOIJHLFNFIK-BMWXAVAISA-N -1 3 251.713 2.808 20 30 CFEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@H]1C[C@@H]1C ZINC000841627787 631435729 /nfs/dbraw/zinc/43/57/29/631435729.db2.gz CGCYRRNWXRVTAC-JSGCOSHPSA-N -1 3 294.420 2.571 20 30 CFEDHM Cc1cc(COC(=O)c2cc([O-])cc(C#N)c2)ccc1C#N ZINC000811184019 631531586 /nfs/dbraw/zinc/53/15/86/631531586.db2.gz FPQUHSATDQETHI-UHFFFAOYSA-N -1 3 292.294 2.801 20 30 CFEDHM C[C@H](COc1ccccc1)NN=Cc1ccc([O-])c(F)c1 ZINC000811667591 631603182 /nfs/dbraw/zinc/60/31/82/631603182.db2.gz YNVMVEKAYPFNNK-GFCCVEGCSA-N -1 3 288.322 2.922 20 30 CFEDHM CCOc1cc(C=NNC23CC(C2)C3)cc(Cl)c1[O-] ZINC000842547192 631662873 /nfs/dbraw/zinc/66/28/73/631662873.db2.gz IZCUDJOZBYZBRI-UHFFFAOYSA-N -1 3 280.755 2.920 20 30 CFEDHM Cn1cc(C=NNc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000814215471 632039784 /nfs/dbraw/zinc/03/97/84/632039784.db2.gz PZSDMJYUCFEBEL-UHFFFAOYSA-N -1 3 285.134 2.879 20 30 CFEDHM COC(=O)c1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)c[n-]1 ZINC000814528702 632084888 /nfs/dbraw/zinc/08/48/88/632084888.db2.gz FODGNWZFCMZWPV-SNVBAGLBSA-N -1 3 298.298 2.591 20 30 CFEDHM C=CCCO[N-]C(=O)CCCc1c(F)cccc1F ZINC000856027947 635703342 /nfs/dbraw/zinc/70/33/42/635703342.db2.gz HIAKULJKDQDZRK-UHFFFAOYSA-N -1 3 269.291 2.911 20 30 CFEDHM [O-]c1c(C=NN[C@@H]2CCSC2)ccc2ccccc21 ZINC000814933291 632171127 /nfs/dbraw/zinc/17/11/27/632171127.db2.gz KQVUUKZVROWJJU-CYBMUJFWSA-N -1 3 272.373 2.974 20 30 CFEDHM C=C(C)CO[N-]C(=O)Nc1nnc(CCCCC)s1 ZINC000844488857 632230063 /nfs/dbraw/zinc/23/00/63/632230063.db2.gz YEUJQAYZEGJCTF-UHFFFAOYSA-N -1 3 284.385 2.900 20 30 CFEDHM C=CCOCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000815237271 632236339 /nfs/dbraw/zinc/23/63/39/632236339.db2.gz MZLGJODIFNBWPS-UHFFFAOYSA-N -1 3 282.311 2.600 20 30 CFEDHM CCc1ccc(C#CC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000815835913 632325248 /nfs/dbraw/zinc/32/52/48/632325248.db2.gz JJXBGKKQJMHVDA-UHFFFAOYSA-N -1 3 297.329 2.762 20 30 CFEDHM C=CCC[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C1CC1 ZINC000815991935 632349900 /nfs/dbraw/zinc/34/99/00/632349900.db2.gz QRACAGWYMQEMOS-CYBMUJFWSA-N -1 3 277.320 2.703 20 30 CFEDHM C#C[C@H](NCc1c(F)ccc([O-])c1F)C(C)(C)C ZINC000816612844 632494712 /nfs/dbraw/zinc/49/47/12/632494712.db2.gz ZDJNYEUSIPLIRZ-LBPRGKRZSA-N -1 3 253.292 2.808 20 30 CFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000846538460 632727185 /nfs/dbraw/zinc/72/71/85/632727185.db2.gz XESOYBGVFBUFDE-INIZCTEOSA-N -1 3 288.391 2.665 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1ccc(C)cc1 ZINC000846540929 632729598 /nfs/dbraw/zinc/72/95/98/632729598.db2.gz BWHJNEVYDMMMAK-CYBMUJFWSA-N -1 3 263.337 2.776 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000846543874 632731663 /nfs/dbraw/zinc/73/16/63/632731663.db2.gz MSQWEYWFBJPGST-NSHDSACASA-N -1 3 267.300 2.607 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000846543654 632731845 /nfs/dbraw/zinc/73/18/45/632731845.db2.gz AQXMYIVADQLMLO-MNOVXSKESA-N -1 3 251.301 2.942 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000846543656 632731905 /nfs/dbraw/zinc/73/19/05/632731905.db2.gz AQXMYIVADQLMLO-WDEREUQCSA-N -1 3 251.301 2.942 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCCc1cc(F)ccc1F ZINC000846546712 632735607 /nfs/dbraw/zinc/73/56/07/632735607.db2.gz FEJUOLYDPWFLBE-JTQLQIEISA-N -1 3 269.291 2.910 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(OC(F)F)c1 ZINC000846553949 632740796 /nfs/dbraw/zinc/74/07/96/632740796.db2.gz GEEXOBSONDHXAK-JTQLQIEISA-N -1 3 285.290 2.843 20 30 CFEDHM CC[C@@H](CC#N)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000846990685 632871664 /nfs/dbraw/zinc/87/16/64/632871664.db2.gz DSVAUCJUUMFRKB-LBPRGKRZSA-N -1 3 264.300 2.516 20 30 CFEDHM C#C[C@@H](NC(=O)c1cc(SC)ccc1[O-])C(C)C ZINC000847116957 632926885 /nfs/dbraw/zinc/92/68/85/632926885.db2.gz QEOQDPVYPNFLHE-GFCCVEGCSA-N -1 3 263.362 2.502 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1c(F)cccc1F ZINC000848245450 633223127 /nfs/dbraw/zinc/22/31/27/633223127.db2.gz LBPOHRAZVSMSRV-SNVBAGLBSA-N -1 3 269.291 2.910 20 30 CFEDHM O=C([O-])c1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848398507 633249044 /nfs/dbraw/zinc/24/90/44/633249044.db2.gz IXZRFRHTLYMQCF-OAHLLOKOSA-N -1 3 287.363 2.801 20 30 CFEDHM COc1cc(C(=O)/C=C\c2c(C3CC3)cnn2C)ccc1[O-] ZINC000849242734 633588378 /nfs/dbraw/zinc/58/83/78/633588378.db2.gz MDTSROLDXOAYKA-VURMDHGXSA-N -1 3 298.342 2.908 20 30 CFEDHM C=C(Cl)CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000849346715 633624334 /nfs/dbraw/zinc/62/43/34/633624334.db2.gz XXVPLIJBXJVLTM-GRYCIOLGSA-N -1 3 257.761 2.704 20 30 CFEDHM C[C@@H]1CCCCN1N=Cc1c(F)ccc([O-])c1F ZINC000853381358 634988298 /nfs/dbraw/zinc/98/82/98/634988298.db2.gz BBJTXGGYCRLFIZ-SECBINFHSA-N -1 3 254.280 2.879 20 30 CFEDHM CCCCCCCC[C@H](C)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000854649135 635355586 /nfs/dbraw/zinc/35/55/86/635355586.db2.gz QNNLIZSSAQCAJP-KBPBESRZSA-N -1 3 298.427 2.870 20 30 CFEDHM C=C(C)CO[N-]C(=O)C[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000855026864 635445139 /nfs/dbraw/zinc/44/51/39/635445139.db2.gz RGTHIKQAVUKSEO-ZFWWWQNUSA-N -1 3 275.348 2.813 20 30 CFEDHM C=CCCO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC000856028700 635703978 /nfs/dbraw/zinc/70/39/78/635703978.db2.gz ZOECWWZBQSYACD-QMMMGPOBSA-N -1 3 252.141 2.584 20 30 CFEDHM C=CCCO[N-]C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000856028601 635704355 /nfs/dbraw/zinc/70/43/55/635704355.db2.gz KIFSYWYYSYWNRC-UHFFFAOYSA-N -1 3 291.347 2.672 20 30 CFEDHM C=CCCO[N-]C(=O)CCc1ccc(Cl)s1 ZINC000856030711 635706169 /nfs/dbraw/zinc/70/61/69/635706169.db2.gz NHYRBBWCIUDDKX-UHFFFAOYSA-N -1 3 259.758 2.958 20 30 CFEDHM C=CCCO[N-]C(=O)CCCOc1cccc(F)c1 ZINC000856030297 635705121 /nfs/dbraw/zinc/70/51/21/635705121.db2.gz BXKUOXCLTOXGTN-UHFFFAOYSA-N -1 3 267.300 2.609 20 30 CFEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000856030644 635706525 /nfs/dbraw/zinc/70/65/25/635706525.db2.gz KWWRVEDRUXEVMK-LLVKDONJSA-N -1 3 251.301 2.943 20 30 CFEDHM C=CCCO[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC000856035071 635710258 /nfs/dbraw/zinc/71/02/58/635710258.db2.gz SJZMPSZGTOMEEV-UHFFFAOYSA-N -1 3 257.692 2.646 20 30 CFEDHM C=CCCO[N-]C(=O)C12CC(c3ccccc3)(C1)C2 ZINC000856035108 635710504 /nfs/dbraw/zinc/71/05/04/635710504.db2.gz UFEPHEDNDPAPLB-UHFFFAOYSA-N -1 3 257.333 2.732 20 30 CFEDHM C#C[C@@](C)(CC)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857720917 636016246 /nfs/dbraw/zinc/01/62/46/636016246.db2.gz BOIIYWIVXUTKMU-ZDUSSCGKSA-N -1 3 285.265 2.943 20 30 CFEDHM CCn1ccnc1[C@H](C)N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866366987 638805918 /nfs/dbraw/zinc/80/59/18/638805918.db2.gz DYJIFOMDQQDWCO-RYUDHWBXSA-N -1 3 284.363 2.892 20 30 CFEDHM CCCCCCCCCS(=O)(=O)c1nc(CC)n[n-]1 ZINC000191053792 650475779 /nfs/dbraw/zinc/47/57/79/650475779.db2.gz OSDOIEVAKIXNCM-UHFFFAOYSA-N -1 3 287.429 2.891 20 30 CFEDHM CCCCCCCCCS(=O)(=O)c1nnc(CC)[n-]1 ZINC000191053792 650475781 /nfs/dbraw/zinc/47/57/81/650475781.db2.gz OSDOIEVAKIXNCM-UHFFFAOYSA-N -1 3 287.429 2.891 20 30 CFEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000193438684 650653873 /nfs/dbraw/zinc/65/38/73/650653873.db2.gz DRSQKZVHXSUFAB-ZDUSSCGKSA-N -1 3 282.299 2.858 20 30 CFEDHM C=CCCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166969 641687147 /nfs/dbraw/zinc/68/71/47/641687147.db2.gz YWZKNTBZXOUEKX-UHFFFAOYSA-N -1 3 275.348 2.718 20 30 CFEDHM CC(=NO[C@@H]1CCCCO1)c1cccc([O-])c1F ZINC000872360462 641767909 /nfs/dbraw/zinc/76/79/09/641767909.db2.gz MSYRMPFYGCFGAI-GFCCVEGCSA-N -1 3 253.273 2.799 20 30 CFEDHM N#Cc1ccc(C=C2SC(=O)[N-]C2=O)c(C(F)(F)F)c1 ZINC000874928150 642553874 /nfs/dbraw/zinc/55/38/74/642553874.db2.gz KKBHSPIOLFVTKG-RUDMXATFSA-N -1 3 298.245 2.901 20 30 CFEDHM C[C@]1(C#N)CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878405914 643876933 /nfs/dbraw/zinc/87/69/33/643876933.db2.gz LTDZCEJXUOMJJK-MRXNPFEDSA-N -1 3 298.346 2.568 20 30 CFEDHM C=C(C)CO[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000880547968 644759674 /nfs/dbraw/zinc/75/96/74/644759674.db2.gz HOHZDNZBJVXCFX-UHFFFAOYSA-N -1 3 253.264 2.979 20 30 CFEDHM [O-]c1ccc(Cl)cc1/C=N/CCCO[C@@H]1CCOC1 ZINC000129352400 645161943 /nfs/dbraw/zinc/16/19/43/645161943.db2.gz LYOUFIIPYLOBJK-BPKVKKHESA-N -1 3 283.755 2.660 20 30 CFEDHM C=CCOc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000131741477 645800803 /nfs/dbraw/zinc/80/08/03/645800803.db2.gz PWMSUVPUHNQCGY-BQYQJAHWSA-N -1 3 254.289 2.505 20 30 CFEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCCC2(F)F)c1[O-] ZINC000887268782 647256016 /nfs/dbraw/zinc/25/60/16/647256016.db2.gz UVZATYTYVHMAAU-MEBUONCMSA-N -1 3 298.333 2.832 20 30 CFEDHM COC[C@H](/N=C\c1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000887271931 647257762 /nfs/dbraw/zinc/25/77/62/647257762.db2.gz CCVXGEHIEVDZJD-CCZZUWNTSA-N -1 3 297.782 2.906 20 30 CFEDHM C=C[C@@H](CC)CC(=O)[N-]OCCOc1ccccc1 ZINC000889441999 647571718 /nfs/dbraw/zinc/57/17/18/647571718.db2.gz GEYGCKOWKGRXFQ-ZDUSSCGKSA-N -1 3 263.337 2.716 20 30 CFEDHM C=CCC1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928704957 648943880 /nfs/dbraw/zinc/94/38/80/648943880.db2.gz BITHWLSWIIKOHS-UHFFFAOYSA-N -1 3 293.338 2.520 20 30 CFEDHM C=CCNC(=O)c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243543812 782266175 /nfs/dbraw/zinc/26/61/75/782266175.db2.gz IWVMHASGQZVDQV-UHFFFAOYSA-N -1 3 272.279 2.509 20 30 CFEDHM N#Cc1ncccc1Nc1nc(Br)ccc1[O-] ZINC001210141791 770217249 /nfs/dbraw/zinc/21/72/49/770217249.db2.gz ZVJRYVKFMOUWOX-UHFFFAOYSA-N -1 3 291.108 2.560 20 30 CFEDHM Cc1cc(Nc2cc(C#N)ccc2[O-])ccc1CO ZINC001211585341 775120423 /nfs/dbraw/zinc/12/04/23/775120423.db2.gz PGJGGUMWAIVIFX-UHFFFAOYSA-N -1 3 254.289 2.808 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCc3ccccc3C2)[n-]1 ZINC001225468582 775467020 /nfs/dbraw/zinc/46/70/20/775467020.db2.gz AXTTVEGKEMSRTP-CQSZACIVSA-N -1 3 280.327 2.904 20 30 CFEDHM CC(=O)[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225469833 775468484 /nfs/dbraw/zinc/46/84/84/775468484.db2.gz OPUFSPOVYFNHCO-OAHLLOKOSA-N -1 3 282.299 2.676 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ncccc2F)[n-]1 ZINC001225470108 775468550 /nfs/dbraw/zinc/46/85/50/775468550.db2.gz QWTKJXCEANSWKJ-VIFPVBQESA-N -1 3 273.267 2.641 20 30 CFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCCC[C@H]2F)[n-]1 ZINC001225468887 775469016 /nfs/dbraw/zinc/46/90/16/775469016.db2.gz FLTPXSOZUZJVRZ-PWSUYJOCSA-N -1 3 250.273 2.627 20 30 CFEDHM CC#CC[C@H](CC)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225576466 775508315 /nfs/dbraw/zinc/50/83/15/775508315.db2.gz IRVHWPIQCGBDNH-QMMMGPOBSA-N -1 3 274.242 2.772 20 30 CFEDHM C#C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225578479 775508894 /nfs/dbraw/zinc/50/88/94/775508894.db2.gz FBPRYTWEELCUAY-LLVKDONJSA-N -1 3 294.232 2.954 20 30 CFEDHM C=C[C@@H](CCCC)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226239329 775749431 /nfs/dbraw/zinc/74/94/31/775749431.db2.gz AMICEYBJNDREBO-JTQLQIEISA-N -1 3 250.298 2.508 20 30 CFEDHM Cc1ccc2c(c1)CC[C@H]2Oc1nccc(/C=N/[O-])n1 ZINC001226252807 775756214 /nfs/dbraw/zinc/75/62/14/775756214.db2.gz APOQOTQCDMXSQI-IREQLNLFSA-N -1 3 269.304 2.659 20 30 CFEDHM Cc1ccc([C@H](C)Oc2nccc(/C=N/[O-])n2)cc1 ZINC001226255629 775757824 /nfs/dbraw/zinc/75/78/24/775757824.db2.gz KWGJEYZIOFBSNQ-UJFYRASASA-N -1 3 257.293 2.733 20 30 CFEDHM C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)nnc1C ZINC001226462070 775833104 /nfs/dbraw/zinc/83/31/04/775833104.db2.gz BHRTWWRLNRCSJA-NSHDSACASA-N -1 3 287.319 2.590 20 30 CFEDHM CCc1nc(O[C@H](CC#N)c2ccccc2)cc(=O)[n-]1 ZINC001226475555 775837528 /nfs/dbraw/zinc/83/75/28/775837528.db2.gz MGBOUWLBFHQXCC-GFCCVEGCSA-N -1 3 269.304 2.778 20 30 CFEDHM CCc1nc(O[C@@H](C#N)c2ccccc2F)cc(=O)[n-]1 ZINC001226474241 775837597 /nfs/dbraw/zinc/83/75/97/775837597.db2.gz DFPFJFMADOMAQM-NSHDSACASA-N -1 3 273.267 2.527 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533010 775863768 /nfs/dbraw/zinc/86/37/68/775863768.db2.gz XPRHFLWEICWVPD-FZMZJTMJSA-N -1 3 284.311 2.988 20 30 CFEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533013 775863958 /nfs/dbraw/zinc/86/39/58/775863958.db2.gz XPRHFLWEICWVPD-RISCZKNCSA-N -1 3 284.311 2.988 20 30 CFEDHM C#C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccncc1 ZINC001226599959 775887512 /nfs/dbraw/zinc/88/75/12/775887512.db2.gz QIVVBXJXLBRUEB-CQSZACIVSA-N -1 3 293.278 2.647 20 30 CFEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nc3cnncc32)C1 ZINC001226689078 775921731 /nfs/dbraw/zinc/92/17/31/775921731.db2.gz ZGMUVRBTPKGMLL-SMDDNHRTSA-N -1 3 298.346 2.805 20 30 CFEDHM C=C[C@H](CCCCC)Oc1[n-]c(=O)ncc1OC ZINC001226822128 775978274 /nfs/dbraw/zinc/97/82/74/775978274.db2.gz JSIHTZUVNXZYJL-SNVBAGLBSA-N -1 3 252.314 2.705 20 30 CFEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1OC ZINC001226829391 775982846 /nfs/dbraw/zinc/98/28/46/775982846.db2.gz ZJWZWPDQKGWJLE-WOPDTQHZSA-N -1 3 278.352 2.951 20 30 CFEDHM CCC[C@@H](CC(=O)OCC)Oc1cc(C#N)ccc1[O-] ZINC001227345262 776180509 /nfs/dbraw/zinc/18/05/09/776180509.db2.gz MHCAFASDNSDXTA-LBPRGKRZSA-N -1 3 277.320 2.765 20 30 CFEDHM CCOC(=O)[C@H]1CC[C@H](Oc2cc(C#N)ccc2[O-])CC1 ZINC001227350678 776182758 /nfs/dbraw/zinc/18/27/58/776182758.db2.gz PBGNRJRVMUWNOK-JOCQHMNTSA-N -1 3 289.331 2.765 20 30 CFEDHM CC#C[C@H](CC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227583104 776233859 /nfs/dbraw/zinc/23/38/59/776233859.db2.gz JFFVDTVPIAGMJB-VIFPVBQESA-N -1 3 259.227 2.987 20 30 CFEDHM N#C[C@H]1CC[C@@H](Oc2cc(=O)cc(C(F)(F)F)[n-]2)C1 ZINC001227587439 776237071 /nfs/dbraw/zinc/23/70/71/776237071.db2.gz UDEJAMBQGXHCTK-IONNQARKSA-N -1 3 272.226 2.877 20 30 CFEDHM C#C[C@@H](CCCCC)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227613137 776244477 /nfs/dbraw/zinc/24/44/77/776244477.db2.gz RWIYARGCEHQUJT-VIFPVBQESA-N -1 3 276.365 2.603 20 30 CFEDHM CC#C[C@H](CC)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228080218 776387434 /nfs/dbraw/zinc/38/74/34/776387434.db2.gz VDDWKYZQTYQJRH-NSHDSACASA-N -1 3 290.315 2.858 20 30 CFEDHM C#C[C@@H](CCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622780 776543811 /nfs/dbraw/zinc/54/38/11/776543811.db2.gz KZXONCBCMUDFLZ-NSHDSACASA-N -1 3 272.300 2.988 20 30 CFEDHM C#C[C@H]1CCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673316 776561598 /nfs/dbraw/zinc/56/15/98/776561598.db2.gz FWGGBBIBWAAYRF-HZMBPMFUSA-N -1 3 285.303 2.960 20 30 CFEDHM C#C[C@H](CC)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228674659 776563758 /nfs/dbraw/zinc/56/37/58/776563758.db2.gz KTSPFHPHFNWFEL-SECBINFHSA-N -1 3 259.265 2.570 20 30 CFEDHM C#C[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674659 776563763 /nfs/dbraw/zinc/56/37/63/776563763.db2.gz KTSPFHPHFNWFEL-SECBINFHSA-N -1 3 259.265 2.570 20 30 CFEDHM C#C[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228687592 776568972 /nfs/dbraw/zinc/56/89/72/776568972.db2.gz YRYAOIRPSVVPQO-GFCCVEGCSA-N -1 3 284.271 2.757 20 30 CFEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1C=CC(=O)C1 ZINC001228959998 776669497 /nfs/dbraw/zinc/66/94/97/776669497.db2.gz RUOYKQGBVQEYFJ-GFCCVEGCSA-N -1 3 274.316 2.995 20 30 CFEDHM C=CCC(CC=C)Oc1ccccc1-c1nnn[n-]1 ZINC001229958950 776924411 /nfs/dbraw/zinc/92/44/11/776924411.db2.gz WUEHCSQOVYIBTA-UHFFFAOYSA-N -1 3 256.309 2.766 20 30 CFEDHM C=CCC(CC=C)Oc1ccccc1-c1nn[n-]n1 ZINC001229958950 776924415 /nfs/dbraw/zinc/92/44/15/776924415.db2.gz WUEHCSQOVYIBTA-UHFFFAOYSA-N -1 3 256.309 2.766 20 30 CFEDHM C#C[C@H](Oc1[n-]c(=O)nc2c1SCC2)c1ccccc1 ZINC001230792677 777065325 /nfs/dbraw/zinc/06/53/25/777065325.db2.gz SJKGIQUXSACRFD-LBPRGKRZSA-N -1 3 284.340 2.584 20 30 CFEDHM N#C[C@@H]1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231522654 777251856 /nfs/dbraw/zinc/25/18/56/777251856.db2.gz JSHQETKNYINEOP-JTQLQIEISA-N -1 3 270.254 2.756 20 30 CFEDHM CCC[C@H](Oc1nccc(/C=N/[O-])n1)[C@@H](C)CC ZINC001226257024 777490353 /nfs/dbraw/zinc/49/03/53/777490353.db2.gz XQJUZEBCFCQTEV-PZGJRYIUSA-N -1 3 251.330 2.878 20 30 CFEDHM C#C[C@@H](CCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481757 777552530 /nfs/dbraw/zinc/55/25/30/777552530.db2.gz IKVBMIMAMCAPFU-NSHDSACASA-N -1 3 262.305 2.871 20 30 CFEDHM N#Cc1ccc([O-])c(CN2CCc3sccc3C2)c1 ZINC001232675587 777638206 /nfs/dbraw/zinc/63/82/06/777638206.db2.gz QKBOHCWIQYXQAD-UHFFFAOYSA-N -1 3 270.357 2.884 20 30 CFEDHM C#C[C@H]1CCC[C@H]1Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227584832 777855256 /nfs/dbraw/zinc/85/52/56/777855256.db2.gz VQCYUBJPFLMHCW-WCBMZHEXSA-N -1 3 271.238 2.987 20 30 CFEDHM Cc1cc([C@@H]2CCCN2Cc2ccc(C#N)cc2[O-])no1 ZINC001233383622 777926224 /nfs/dbraw/zinc/92/62/24/777926224.db2.gz ORACWDOBIUZWLJ-HNNXBMFYSA-N -1 3 283.331 2.897 20 30 CFEDHM COc1ccccc1CN(C)Cc1ccc(C#N)cc1[O-] ZINC001233385769 777928419 /nfs/dbraw/zinc/92/84/19/777928419.db2.gz SSUGPFSBQLPTPA-UHFFFAOYSA-N -1 3 282.343 2.904 20 30 CFEDHM N#C[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233395941 777933693 /nfs/dbraw/zinc/93/36/93/777933693.db2.gz ALQFNRRKVOVTQQ-JTQLQIEISA-N -1 3 266.291 2.796 20 30 CFEDHM CCC1=C(Oc2cc([O-])cc(F)c2)C(=O)[C@H](C)O1 ZINC001233816442 778087184 /nfs/dbraw/zinc/08/71/84/778087184.db2.gz DIDAXFKKSUWBHW-ZETCQYMHSA-N -1 3 252.241 2.520 20 30 CFEDHM CC1(C)C(=O)CCC[C@@H]1Oc1cc([O-])cc(C#N)c1 ZINC001234144890 778175814 /nfs/dbraw/zinc/17/58/14/778175814.db2.gz WWTANWXLANGXQP-AWEZNQCLSA-N -1 3 259.305 2.790 20 30 CFEDHM C#C[C@H](CC(C)C)Oc1ncc(Br)cc1[O-] ZINC001228955800 778214799 /nfs/dbraw/zinc/21/47/99/778214799.db2.gz MCHSIPXWKUPNKH-SNVBAGLBSA-N -1 3 284.153 2.976 20 30 CFEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1nccs1 ZINC001234513659 778241382 /nfs/dbraw/zinc/24/13/82/778241382.db2.gz MXOCXYOUWYESSC-MRVPVSSYSA-N -1 3 298.327 2.804 20 30 CFEDHM C=CC[C@@H](C=C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234922869 778330503 /nfs/dbraw/zinc/33/05/03/778330503.db2.gz POOYUDFQFRDLJS-SECBINFHSA-N -1 3 264.350 2.730 20 30 CFEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1cccnc1F ZINC001223976432 778378671 /nfs/dbraw/zinc/37/86/71/778378671.db2.gz SDOUHZWHFXOWAN-KWSCKXNYSA-N -1 3 261.256 2.529 20 30 CFEDHM CCOCC/N=C/c1cc(Br)ccc1[O-] ZINC000127974989 778465633 /nfs/dbraw/zinc/46/56/33/778465633.db2.gz MIJBINMBSFXGPO-MDWZMJQESA-N -1 3 272.142 2.610 20 30 CFEDHM C=CCCC[C@@H](C)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436698374 778647640 /nfs/dbraw/zinc/64/76/40/778647640.db2.gz MBYHFHPDIRPJEK-SNVBAGLBSA-N -1 3 277.320 2.596 20 30 CFEDHM COc1cc([O-])c(CN2CC[C@](C)(C#N)C2)c(Cl)c1 ZINC001236805984 778946854 /nfs/dbraw/zinc/94/68/54/778946854.db2.gz KAZZODSCXLJSSZ-CQSZACIVSA-N -1 3 280.755 2.790 20 30 CFEDHM C=CCC[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001120813502 778984344 /nfs/dbraw/zinc/98/43/44/778984344.db2.gz FVDNTMQVQFXOBX-LLVKDONJSA-N -1 3 289.331 2.692 20 30 CFEDHM N#C[C@H]1CCCN(Cc2sc(=O)[n-]c2Cl)CC1 ZINC001237164321 779034555 /nfs/dbraw/zinc/03/45/55/779034555.db2.gz IBHWADYGJNPWDM-QMMMGPOBSA-N -1 3 271.773 2.628 20 30 CFEDHM COc1cc(/C=N/[O-])ccc1OC1CCSCC1 ZINC001233799394 779089447 /nfs/dbraw/zinc/08/94/47/779089447.db2.gz JGMKFLHJCDNIMX-NTEUORMPSA-N -1 3 267.350 2.778 20 30 CFEDHM N#CC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237947636 779214094 /nfs/dbraw/zinc/21/40/94/779214094.db2.gz SLGBLSOSOVPPCJ-UHFFFAOYSA-N -1 3 268.719 2.920 20 30 CFEDHM C/C(=N\C#N)N(C)Cc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240783171 780436693 /nfs/dbraw/zinc/43/66/93/780436693.db2.gz NKBRYEAWYUQDAF-RGVLZGJSSA-N -1 3 298.321 2.925 20 30 CFEDHM C=C(C)c1cccnc1NC(=S)[N-]C(=O)OCC ZINC001240837845 780469273 /nfs/dbraw/zinc/46/92/73/780469273.db2.gz YHGRWKGXKUKDOC-UHFFFAOYSA-N -1 3 265.338 2.558 20 30 CFEDHM COc1cc(C#N)ccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241412741 780857796 /nfs/dbraw/zinc/85/77/96/780857796.db2.gz XQMQGOGFWVQHSG-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM COc1cc(C#N)ccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241412741 780857798 /nfs/dbraw/zinc/85/77/98/780857798.db2.gz XQMQGOGFWVQHSG-UHFFFAOYSA-N -1 3 291.314 2.722 20 30 CFEDHM Cc1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001241443611 780893732 /nfs/dbraw/zinc/89/37/32/780893732.db2.gz HXZZCPQJHGGVGW-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001241443611 780893741 /nfs/dbraw/zinc/89/37/41/780893741.db2.gz HXZZCPQJHGGVGW-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM N#Cc1ncccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242313179 781390982 /nfs/dbraw/zinc/39/09/82/781390982.db2.gz UFCBZVZEJDXUFQ-UHFFFAOYSA-N -1 3 251.314 2.916 20 30 CFEDHM [O-]/N=C/c1cccc(-c2cccc3c2OCCO3)c1 ZINC001242468763 781524835 /nfs/dbraw/zinc/52/48/35/781524835.db2.gz LUDQAJBEMGYHCT-MHWRWJLKSA-N -1 3 255.273 2.933 20 30 CFEDHM Cc1cc(C#N)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242475463 781530493 /nfs/dbraw/zinc/53/04/93/781530493.db2.gz UUKHHLXUPKODJY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1cc(C#N)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242475463 781530497 /nfs/dbraw/zinc/53/04/97/781530497.db2.gz UUKHHLXUPKODJY-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001242542040 781582061 /nfs/dbraw/zinc/58/20/61/781582061.db2.gz VOWDOWLYIHDEQQ-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(C#N)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001242542040 781582063 /nfs/dbraw/zinc/58/20/63/781582063.db2.gz VOWDOWLYIHDEQQ-UHFFFAOYSA-N -1 3 261.288 2.714 20 30 CFEDHM Cc1ccc(C#N)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242544795 781583997 /nfs/dbraw/zinc/58/39/97/781583997.db2.gz VLKUVQBHSQYAIB-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM Cc1ccc(C#N)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242544795 781584001 /nfs/dbraw/zinc/58/40/01/781584001.db2.gz VLKUVQBHSQYAIB-UHFFFAOYSA-N -1 3 279.278 2.853 20 30 CFEDHM CN1CCOc2ccc(-c3ccc([O-])c(C#N)c3)cc21 ZINC001242566101 781605351 /nfs/dbraw/zinc/60/53/51/781605351.db2.gz IYWFRUXRCMGKTB-UHFFFAOYSA-N -1 3 266.300 2.759 20 30 CFEDHM COc1nc(-c2cc([O-])cc(C(F)(F)F)c2)ncc1C#N ZINC001242779803 781757421 /nfs/dbraw/zinc/75/74/21/781757421.db2.gz BSEQNNSOXBJAEY-UHFFFAOYSA-N -1 3 295.220 2.748 20 30 CFEDHM CC#CC[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001119550820 781827374 /nfs/dbraw/zinc/82/73/74/781827374.db2.gz NWZRDMFXXVJDAI-GFCCVEGCSA-N -1 3 286.158 2.950 20 30 CFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CCC2)c(F)c1 ZINC000594856090 349490883 /nfs/dbraw/zinc/49/08/83/349490883.db2.gz FGMNOPDAJSXJAY-UHFFFAOYSA-N -1 3 296.367 2.556 20 30 CFEDHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000595361614 349610650 /nfs/dbraw/zinc/61/06/50/349610650.db2.gz NXMGICLAXFEQTC-ZDUSSCGKSA-N -1 3 298.795 2.679 20 30 CFEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595845615 349753970 /nfs/dbraw/zinc/75/39/70/349753970.db2.gz REVCPTJMHJWCJD-BETUJISGSA-N -1 3 274.320 2.983 20 30 CFEDHM CCc1ccc([O-])c(C(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000354899957 529690901 /nfs/dbraw/zinc/69/09/01/529690901.db2.gz UTXNPUGPSZHPEJ-NSHDSACASA-N -1 3 272.348 2.719 20 30 CFEDHM Cc1cccc(C(=O)N(CC#N)C2CCCC2)c1[O-] ZINC000080212281 260178316 /nfs/dbraw/zinc/17/83/16/260178316.db2.gz APIDKISPHHZQMF-UHFFFAOYSA-N -1 3 258.321 2.609 20 30 CFEDHM C=CC(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000294998154 199292170 /nfs/dbraw/zinc/29/21/70/199292170.db2.gz PUALJUQFPHVILY-UHFFFAOYSA-N -1 3 298.180 2.983 20 30 CFEDHM CC(C)[C@@H]1C[C@H](CN=c2[n-]c(C#N)c(Cl)s2)CCO1 ZINC000596253862 349841943 /nfs/dbraw/zinc/84/19/43/349841943.db2.gz FUXZULCGXLFZPG-KOLCDFICSA-N -1 3 299.827 2.953 20 30 CFEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)c2ccccc2)c1[O-] ZINC000005110839 346210384 /nfs/dbraw/zinc/21/03/84/346210384.db2.gz VNBHNMYUEKCDLD-NNLQFVHNSA-N -1 3 284.359 2.811 20 30 CFEDHM Cc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1F ZINC000027067409 346267891 /nfs/dbraw/zinc/26/78/91/346267891.db2.gz MAALXABPXYKBJG-QGMBQPNBSA-N -1 3 288.322 2.655 20 30 CFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1[O-] ZINC000045621316 346412285 /nfs/dbraw/zinc/41/22/85/346412285.db2.gz BUINTSPIOVNQGN-NSHDSACASA-N -1 3 282.299 2.670 20 30 CFEDHM O=C(CCc1nccs1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000055192913 346584413 /nfs/dbraw/zinc/58/44/13/346584413.db2.gz RKODRRDPQSBYOT-UHFFFAOYSA-N -1 3 291.258 2.501 20 30 CFEDHM O=C(CCc1nccs1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000055192913 346584415 /nfs/dbraw/zinc/58/44/15/346584415.db2.gz RKODRRDPQSBYOT-UHFFFAOYSA-N -1 3 291.258 2.501 20 30 CFEDHM CC(C)(C#N)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000078983513 347283075 /nfs/dbraw/zinc/28/30/75/347283075.db2.gz KGILMSLSFUBWAK-UHFFFAOYSA-N -1 3 273.365 2.899 20 30 CFEDHM CCO[C@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731364 347433423 /nfs/dbraw/zinc/43/34/23/347433423.db2.gz LWPRNGBAPYBINW-SSDOTTSWSA-N -1 3 296.277 2.763 20 30 CFEDHM CCO[C@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731364 347433426 /nfs/dbraw/zinc/43/34/26/347433426.db2.gz LWPRNGBAPYBINW-SSDOTTSWSA-N -1 3 296.277 2.763 20 30 CFEDHM CCO[C@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731364 347433428 /nfs/dbraw/zinc/43/34/28/347433428.db2.gz LWPRNGBAPYBINW-SSDOTTSWSA-N -1 3 296.277 2.763 20 30 CFEDHM CCc1cccc(C(=O)N[C@H](C#N)C(C)(C)C)c1[O-] ZINC000092421880 347624130 /nfs/dbraw/zinc/62/41/30/347624130.db2.gz RAPVZKVNAYOMRX-GFCCVEGCSA-N -1 3 260.337 2.623 20 30 CFEDHM N#Cc1c(Cl)nsc1[N-]c1ccn(CC(F)F)n1 ZINC000092665732 347638662 /nfs/dbraw/zinc/63/86/62/347638662.db2.gz GUYJQPSURAALQO-UHFFFAOYSA-N -1 3 289.698 2.873 20 30 CFEDHM C[C@@H]1OCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000092719435 347642123 /nfs/dbraw/zinc/64/21/23/347642123.db2.gz WESZODGLJPJBAR-IUCAKERBSA-N -1 3 290.298 2.624 20 30 CFEDHM CCC[C@H](C#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094079731 347690669 /nfs/dbraw/zinc/69/06/69/347690669.db2.gz LPUFVWALMWPQHO-LLVKDONJSA-N -1 3 288.347 2.528 20 30 CFEDHM CCn1nc(C)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000102115896 347716640 /nfs/dbraw/zinc/71/66/40/347716640.db2.gz ABGOOPFYVNUWKZ-NSHDSACASA-N -1 3 293.330 2.578 20 30 CFEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)cn2)c1[O-] ZINC000116978486 347790357 /nfs/dbraw/zinc/79/03/57/347790357.db2.gz VPPGHNRACPHVNB-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM O=C(N[O-])[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000671996957 539578771 /nfs/dbraw/zinc/57/87/71/539578771.db2.gz XEFLTMXWJNUDEU-UWVGGRQHSA-N -1 3 293.754 2.996 20 30 CFEDHM CCc1noc2ncc(C([O-])=C(C#N)c3ccccn3)cc12 ZINC000171266000 348072934 /nfs/dbraw/zinc/07/29/34/348072934.db2.gz ZOWUAXMSIMUPRY-LBPRGKRZSA-N -1 3 292.298 2.670 20 30 CFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCC1 ZINC000166469035 348042314 /nfs/dbraw/zinc/04/23/14/348042314.db2.gz YXBNYGHQEWNOEY-VIFPVBQESA-N -1 3 298.795 2.679 20 30 CFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000166455396 348042625 /nfs/dbraw/zinc/04/26/25/348042625.db2.gz GUQZXOCRNVZJSZ-VIFPVBQESA-N -1 3 298.795 2.536 20 30 CFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000166455520 348042668 /nfs/dbraw/zinc/04/26/68/348042668.db2.gz GUQZXOCRNVZJSZ-SECBINFHSA-N -1 3 298.795 2.536 20 30 CFEDHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169262449 348050982 /nfs/dbraw/zinc/05/09/82/348050982.db2.gz VGSNZRLNRYEFDI-VIFPVBQESA-N -1 3 286.784 2.679 20 30 CFEDHM N#C[C@H]1CC[C@@H](Sc2n[n-]c(-c3ccccn3)n2)C1 ZINC000278643789 348338951 /nfs/dbraw/zinc/33/89/51/348338951.db2.gz VMDGFXJJPJNZBU-VHSXEESVSA-N -1 3 271.349 2.651 20 30 CFEDHM N#C[C@@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000281414587 348342559 /nfs/dbraw/zinc/34/25/59/348342559.db2.gz CVGBWKMMXUOXPU-CYBMUJFWSA-N -1 3 298.367 2.627 20 30 CFEDHM N#CC(=C([O-])c1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000302221718 348373181 /nfs/dbraw/zinc/37/31/81/348373181.db2.gz KGSMFIYKAOZTDP-ZDUSSCGKSA-N -1 3 298.321 2.634 20 30 CFEDHM Cc1ccc(-c2nnc(NC(=O)CCCCCC#N)[n-]2)o1 ZINC000588650309 348790530 /nfs/dbraw/zinc/79/05/30/348790530.db2.gz UNKBUAKEQMTSTL-UHFFFAOYSA-N -1 3 287.323 2.786 20 30 CFEDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCCCC#N)n2)o1 ZINC000588650309 348790531 /nfs/dbraw/zinc/79/05/31/348790531.db2.gz UNKBUAKEQMTSTL-UHFFFAOYSA-N -1 3 287.323 2.786 20 30 CFEDHM Cc1ccc(-c2nc(NC(=O)CCCCCC#N)n[n-]2)o1 ZINC000588650309 348790534 /nfs/dbraw/zinc/79/05/34/348790534.db2.gz UNKBUAKEQMTSTL-UHFFFAOYSA-N -1 3 287.323 2.786 20 30 CFEDHM CCC(CC)CN(CCC#N)Cc1ncccc1[O-] ZINC000589162670 348813923 /nfs/dbraw/zinc/81/39/23/348813923.db2.gz ARHXHDKNMSZCED-UHFFFAOYSA-N -1 3 261.369 2.939 20 30 CFEDHM N#Cc1sccc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000593524237 349290234 /nfs/dbraw/zinc/29/02/34/349290234.db2.gz ALYZKBLZBLJORY-UHFFFAOYSA-N -1 3 296.417 2.789 20 30 CFEDHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593589565 349296009 /nfs/dbraw/zinc/29/60/09/349296009.db2.gz VAPNACPZXQSWQB-JTQLQIEISA-N -1 3 298.433 2.867 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C#N)CC(C)C)c1 ZINC000597076194 350024931 /nfs/dbraw/zinc/02/49/31/350024931.db2.gz PVZZTEBPNQGOIC-SNVBAGLBSA-N -1 3 278.377 2.782 20 30 CFEDHM CSc1ccc([O-])c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000597486363 350103441 /nfs/dbraw/zinc/10/34/41/350103441.db2.gz JQPDLCMPWHADSJ-UHFFFAOYSA-N -1 3 290.388 2.880 20 30 CFEDHM CCc1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1[O-] ZINC000597903028 350152580 /nfs/dbraw/zinc/15/25/80/350152580.db2.gz DGTMHVBIRYJKEW-GFCCVEGCSA-N -1 3 272.348 2.720 20 30 CFEDHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H](C)C#N ZINC000598358724 350247015 /nfs/dbraw/zinc/24/70/15/350247015.db2.gz QNTAOYPTFXAZEQ-NSHDSACASA-N -1 3 260.337 2.890 20 30 CFEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000598852649 350340117 /nfs/dbraw/zinc/34/01/17/350340117.db2.gz JRIJDPXONMZJGC-UHFFFAOYSA-N -1 3 284.319 2.934 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccsc1C#N ZINC000599359983 350423676 /nfs/dbraw/zinc/42/36/76/350423676.db2.gz IIGAVZIJJDYJRZ-UHFFFAOYSA-N -1 3 284.406 2.500 20 30 CFEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000599359798 350423878 /nfs/dbraw/zinc/42/38/78/350423878.db2.gz FNTKYNXOSLDKDL-UHFFFAOYSA-N -1 3 296.367 2.578 20 30 CFEDHM Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1C#N ZINC000600708786 350599147 /nfs/dbraw/zinc/59/91/47/350599147.db2.gz NZURVGILSMTAKH-UHFFFAOYSA-N -1 3 286.375 2.944 20 30 CFEDHM COCc1nc(S[C@@H](C#N)CCc2ccccc2)n[n-]1 ZINC000601079853 350661533 /nfs/dbraw/zinc/66/15/33/350661533.db2.gz DRGCZLVYBPNVON-GFCCVEGCSA-N -1 3 288.376 2.568 20 30 CFEDHM CCc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C(C)C ZINC000601948686 350815103 /nfs/dbraw/zinc/81/51/03/350815103.db2.gz XTTRNHGVBUGUMK-OAHLLOKOSA-N -1 3 269.348 2.939 20 30 CFEDHM CCCn1c(S[C@H](C#N)Cc2ccccc2)n[n-]c1=O ZINC000604021969 351196524 /nfs/dbraw/zinc/19/65/24/351196524.db2.gz ZDAUWCSXZHNOEI-LBPRGKRZSA-N -1 3 288.376 2.621 20 30 CFEDHM CC(C)(C#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000604104548 351200036 /nfs/dbraw/zinc/20/00/36/351200036.db2.gz SXBMVWJXNJCNKF-UHFFFAOYSA-N -1 3 283.125 2.643 20 30 CFEDHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611013072 351634660 /nfs/dbraw/zinc/63/46/60/351634660.db2.gz PSFHDUBKNGFKFJ-VIFPVBQESA-N -1 3 286.784 2.679 20 30 CFEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC000615872063 352253460 /nfs/dbraw/zinc/25/34/60/352253460.db2.gz VJMSYVWPDJEWRF-OCCSQVGLSA-N -1 3 293.388 2.578 20 30 CFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1nccs1)CCCC2 ZINC000618685448 352859641 /nfs/dbraw/zinc/85/96/41/352859641.db2.gz DWEMWAIPSHZHIM-UHFFFAOYSA-N -1 3 284.344 2.541 20 30 CFEDHM C=CCOc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000155879219 188232608 /nfs/dbraw/zinc/23/26/08/188232608.db2.gz VBGULXSEDARPNL-AWEZNQCLSA-N -1 3 292.335 2.831 20 30 CFEDHM C=CCOc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000155879219 188232609 /nfs/dbraw/zinc/23/26/09/188232609.db2.gz VBGULXSEDARPNL-AWEZNQCLSA-N -1 3 292.335 2.831 20 30 CFEDHM C=CCOc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292514452 198315963 /nfs/dbraw/zinc/31/59/63/198315963.db2.gz DHLPCEYOXCMZCQ-UHFFFAOYSA-N -1 3 262.309 2.715 20 30 CFEDHM C=C(C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000156622705 188273229 /nfs/dbraw/zinc/27/32/29/188273229.db2.gz ATAZRXNYAFVUNG-UHFFFAOYSA-N -1 3 299.168 2.530 20 30 CFEDHM C=CCCN1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629367859 354790517 /nfs/dbraw/zinc/79/05/17/354790517.db2.gz RDLKCXQQJDPFBE-UHFFFAOYSA-N -1 3 266.366 2.597 20 30 CFEDHM C=CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000629366461 354789398 /nfs/dbraw/zinc/78/93/98/354789398.db2.gz NVHDMXHCSBWWGH-LLVKDONJSA-N -1 3 263.312 2.922 20 30 CFEDHM C=CCCC(C)(C)CNC(=O)c1csc(=O)[n-]1 ZINC000633965449 356045370 /nfs/dbraw/zinc/04/53/70/356045370.db2.gz TYYHQSQUIWEJCH-UHFFFAOYSA-N -1 3 254.355 2.571 20 30 CFEDHM C=CCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231808080 540239931 /nfs/dbraw/zinc/23/99/31/540239931.db2.gz PGJFDJYWXQAYAP-UHFFFAOYSA-N -1 3 265.787 2.564 20 30 CFEDHM C=CC(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000294829181 199201872 /nfs/dbraw/zinc/20/18/72/199201872.db2.gz LETXJUZCTCHQSI-UHFFFAOYSA-N -1 3 286.335 2.631 20 30 CFEDHM Cc1nsc([N-]C(=O)Nc2ccn(C(C)C)n2)c1C#N ZINC000297332800 200151692 /nfs/dbraw/zinc/15/16/92/200151692.db2.gz DMTWJMLZTDCICB-UHFFFAOYSA-N -1 3 290.352 2.745 20 30 CFEDHM C=C(C)COCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000354978718 540933899 /nfs/dbraw/zinc/93/38/99/540933899.db2.gz HMISTWXTRJZHNF-UHFFFAOYSA-N -1 3 285.343 2.868 20 30 CFEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426799031 239264429 /nfs/dbraw/zinc/26/44/29/239264429.db2.gz GYPIBLAXFRRHQZ-HNNXBMFYSA-N -1 3 284.290 2.613 20 30 CFEDHM N#Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426679680 239249955 /nfs/dbraw/zinc/24/99/55/239249955.db2.gz XJXIZLDXDKUGJE-AWEZNQCLSA-N -1 3 286.356 2.925 20 30 CFEDHM Cc1n[nH]cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000672579941 541442733 /nfs/dbraw/zinc/44/27/33/541442733.db2.gz BEEPLWRUSITYNE-GFCCVEGCSA-N -1 3 276.299 2.756 20 30 CFEDHM N#CC(=C([O-])c1ccoc1)c1nc2ccccc2[nH]1 ZINC000041495561 372843454 /nfs/dbraw/zinc/84/34/54/372843454.db2.gz HUDFREKSJKVWIN-JTQLQIEISA-N -1 3 251.245 2.646 20 30 CFEDHM CC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000041492791 372843727 /nfs/dbraw/zinc/84/37/27/372843727.db2.gz BLHVZWNXTVCYMG-SNVBAGLBSA-N -1 3 270.313 2.836 20 30 CFEDHM Cc1cccc(C([O-])=C(C#N)c2ccccn2)c1[N+](=O)[O-] ZINC000046440456 373053683 /nfs/dbraw/zinc/05/36/83/373053683.db2.gz LDPSCLRUXNIGMD-LBPRGKRZSA-N -1 3 281.271 2.788 20 30 CFEDHM CC(C)(C)SCC/N=C/c1ccc(O)c([O-])c1O ZINC000263858012 383689419 /nfs/dbraw/zinc/68/94/19/383689419.db2.gz UZBHOGUNQRACEF-RIYZIHGNSA-N -1 3 269.366 2.754 20 30 CFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000064345110 373821490 /nfs/dbraw/zinc/82/14/90/373821490.db2.gz YFFSDZCWMXHAPF-ZETCQYMHSA-N -1 3 293.175 2.574 20 30 CFEDHM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000451748419 383697921 /nfs/dbraw/zinc/69/79/21/383697921.db2.gz MIXORPDZSPLZSB-WDEREUQCSA-N -1 3 298.433 2.724 20 30 CFEDHM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000073971177 374398036 /nfs/dbraw/zinc/39/80/36/374398036.db2.gz TVPDHEMHIHTLDA-OAHLLOKOSA-N -1 3 288.310 2.757 20 30 CFEDHM N#CCCCN=c1ncc2scc(Br)c2[n-]1 ZINC000574531650 335027744 /nfs/dbraw/zinc/02/77/44/335027744.db2.gz TYAGGSFEOZSBIG-UHFFFAOYSA-N -1 3 297.181 2.591 20 30 CFEDHM N#CC(=C([O-])c1cc(C#N)cs1)c1ccccn1 ZINC000083938235 374759386 /nfs/dbraw/zinc/75/93/86/374759386.db2.gz XJNOMMJMILZVCX-JTQLQIEISA-N -1 3 253.286 2.505 20 30 CFEDHM CCc1onc(C)c1[N-]C(=O)c1cc(C#N)cs1 ZINC000089408742 374902316 /nfs/dbraw/zinc/90/23/16/374902316.db2.gz PDAORQGXAFEMAI-UHFFFAOYSA-N -1 3 261.306 2.731 20 30 CFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccs1 ZINC000089495598 374915354 /nfs/dbraw/zinc/91/53/54/374915354.db2.gz XXIBCAZUUHWURQ-UHFFFAOYSA-N -1 3 286.422 2.889 20 30 CFEDHM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1ccccn1 ZINC000103329868 375731671 /nfs/dbraw/zinc/73/16/71/375731671.db2.gz QVVFVLMCFHEBNF-LLVKDONJSA-N -1 3 284.340 2.706 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000529511254 383715010 /nfs/dbraw/zinc/71/50/10/383715010.db2.gz HQJGGCBOLICEPZ-GDLCADMTSA-N -1 3 263.312 2.942 20 30 CFEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCOC3(CCCC3)C2)c1O ZINC000128484837 377342217 /nfs/dbraw/zinc/34/22/17/377342217.db2.gz KRSYLWLCKDKHRE-YXHQGMJNSA-N -1 3 291.347 2.714 20 30 CFEDHM Cc1cncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000131923051 377780332 /nfs/dbraw/zinc/78/03/32/377780332.db2.gz RWVGWUKUMJYRJN-ZDUSSCGKSA-N -1 3 290.326 2.767 20 30 CFEDHM Cc1cccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1[O-] ZINC000152192589 378402816 /nfs/dbraw/zinc/40/28/16/378402816.db2.gz MBENZTHKKSMBJI-ZBEGNZNMSA-N -1 3 272.348 2.903 20 30 CFEDHM CCc1ccc([O-])c(C(=O)NC2(CCO)CCCC2)c1 ZINC000330641667 378593329 /nfs/dbraw/zinc/59/33/29/378593329.db2.gz IXUHTNNFGJHBAB-UHFFFAOYSA-N -1 3 277.364 2.954 20 30 CFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000331304096 378666917 /nfs/dbraw/zinc/66/69/17/378666917.db2.gz XXWIQGSIKDWPPF-SNVBAGLBSA-N -1 3 296.779 2.599 20 30 CFEDHM C[C@@H](C#N)CN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000332042535 378720994 /nfs/dbraw/zinc/72/09/94/378720994.db2.gz ZWTXDOXNXKVESU-VIFPVBQESA-N -1 3 278.739 2.810 20 30 CFEDHM N#C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1F ZINC000161319928 378838976 /nfs/dbraw/zinc/83/89/76/378838976.db2.gz DFRVWROTKALHRF-ZDUSSCGKSA-N -1 3 270.263 2.526 20 30 CFEDHM Cc1nsc([N-]C(=O)c2oc(C3CC3)nc2C)c1C#N ZINC000333901465 378876276 /nfs/dbraw/zinc/87/62/76/378876276.db2.gz SVESKYANURQFQW-UHFFFAOYSA-N -1 3 288.332 2.749 20 30 CFEDHM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])[nH]1 ZINC000334285147 379033516 /nfs/dbraw/zinc/03/35/16/379033516.db2.gz BIBDCDBUAMRCCB-UHFFFAOYSA-N -1 3 295.220 2.863 20 30 CFEDHM N#C[C@@]1(C(=O)Nc2ccc([O-])cc2F)CC12CCCC2 ZINC000334574346 379557407 /nfs/dbraw/zinc/55/74/07/379557407.db2.gz AZGUYVROATZGPI-OAHLLOKOSA-N -1 3 274.295 2.944 20 30 CFEDHM C=C[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000336258239 380299262 /nfs/dbraw/zinc/29/92/62/380299262.db2.gz ZAWXBALCUYWOBW-LBPRGKRZSA-N -1 3 263.312 2.641 20 30 CFEDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C#N)cs3)[n-]2)o1 ZINC000177823468 380383020 /nfs/dbraw/zinc/38/30/20/380383020.db2.gz BFWKRGMUUUJBSD-UHFFFAOYSA-N -1 3 299.315 2.559 20 30 CFEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C#N)cs3)n2)o1 ZINC000177823468 380383030 /nfs/dbraw/zinc/38/30/30/380383030.db2.gz BFWKRGMUUUJBSD-UHFFFAOYSA-N -1 3 299.315 2.559 20 30 CFEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000408413702 380923287 /nfs/dbraw/zinc/92/32/87/380923287.db2.gz IBAKQOAFKOZFQI-DOMZBBRYSA-N -1 3 284.359 2.693 20 30 CFEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000408413712 380924241 /nfs/dbraw/zinc/92/42/41/380924241.db2.gz IBAKQOAFKOZFQI-WFASDCNBSA-N -1 3 284.359 2.693 20 30 CFEDHM CCOc1ccc(C#N)cc1NC(=O)c1cccc([O-])c1 ZINC000182224399 381030107 /nfs/dbraw/zinc/03/01/07/381030107.db2.gz PKMNSGIFRNDVSR-UHFFFAOYSA-N -1 3 282.299 2.915 20 30 CFEDHM Cc1ccc(C(=O)N(CCC#N)CCC(C)C)c([O-])c1O ZINC000182379501 381078081 /nfs/dbraw/zinc/07/80/81/381078081.db2.gz UNDKGFLTWSGOAC-UHFFFAOYSA-N -1 3 290.363 2.808 20 30 CFEDHM CC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000182866499 381174579 /nfs/dbraw/zinc/17/45/79/381174579.db2.gz USCXORKPPATARM-AWEZNQCLSA-N -1 3 264.284 2.774 20 30 CFEDHM C#CCCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000182942081 381188570 /nfs/dbraw/zinc/18/85/70/381188570.db2.gz JBPZZGPDCKDMDO-UHFFFAOYSA-N -1 3 257.333 2.865 20 30 CFEDHM C=CC[C@H](CO)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000296089221 381251339 /nfs/dbraw/zinc/25/13/39/381251339.db2.gz TWPSPWBCGNTWJI-OAHLLOKOSA-N -1 3 299.370 2.531 20 30 CFEDHM N#CCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000342288667 381250159 /nfs/dbraw/zinc/25/01/59/381250159.db2.gz XEXOZHLERGPNBK-UHFFFAOYSA-N -1 3 297.343 2.527 20 30 CFEDHM N#CC(=C([O-])c1ccccc1-n1cccn1)c1ccccn1 ZINC000049457458 412944466 /nfs/dbraw/zinc/94/44/66/412944466.db2.gz HMWPSYRGPBBKAF-CQSZACIVSA-N -1 3 288.310 2.757 20 30 CFEDHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C#N)ccc1C ZINC000292792322 381837021 /nfs/dbraw/zinc/83/70/21/381837021.db2.gz ZWJQJFDQQZXYTH-JTQLQIEISA-N -1 3 261.325 2.966 20 30 CFEDHM CC[C@H](C)CON=C([O-])Nc1cc(C#N)ccc1OC ZINC000292909584 381897706 /nfs/dbraw/zinc/89/77/06/381897706.db2.gz KQKWOUNDOKHHPQ-JTQLQIEISA-N -1 3 277.324 2.666 20 30 CFEDHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C#N)ccc1OC ZINC000292909584 381897709 /nfs/dbraw/zinc/89/77/09/381897709.db2.gz KQKWOUNDOKHHPQ-JTQLQIEISA-N -1 3 277.324 2.666 20 30 CFEDHM C=CCCOCCNCc1cccc([O-])c1Cl ZINC000293392446 382106827 /nfs/dbraw/zinc/10/68/27/382106827.db2.gz XEUSGOCTOIAIRJ-UHFFFAOYSA-N -1 3 255.745 2.728 20 30 CFEDHM CC[C@H](C)CO[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000293826143 382294921 /nfs/dbraw/zinc/29/49/21/382294921.db2.gz VJHMHMRBRQHUBQ-QMMMGPOBSA-N -1 3 268.263 2.544 20 30 CFEDHM C=CCN(CC=C)[C@@H](CN=c1[n-]c(C(C)C)no1)C(C)C ZINC000346678713 382468254 /nfs/dbraw/zinc/46/82/54/382468254.db2.gz UIUXSAYIYBDVKL-AWEZNQCLSA-N -1 3 292.427 2.725 20 30 CFEDHM Cc1noc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1C ZINC000312525461 382515229 /nfs/dbraw/zinc/51/52/29/382515229.db2.gz IZHQNUDPURYTDR-UHFFFAOYSA-N -1 3 277.230 2.694 20 30 CFEDHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000384682056 382555899 /nfs/dbraw/zinc/55/58/99/382555899.db2.gz UOPWYYKNKPGOTL-VIFPVBQESA-N -1 3 286.422 2.723 20 30 CFEDHM C#CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000191125558 382692289 /nfs/dbraw/zinc/69/22/89/382692289.db2.gz CAJBFMOIWAAIFV-UHFFFAOYSA-N -1 3 281.311 2.890 20 30 CFEDHM COc1cc(/C=C/c2ccc(C#N)cn2)cc(OC)c1[O-] ZINC000193445766 382719941 /nfs/dbraw/zinc/71/99/41/382719941.db2.gz IKWDPALDFCSREN-HWKANZROSA-N -1 3 282.299 2.846 20 30 CFEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(OCC)cc1 ZINC000493750201 382894110 /nfs/dbraw/zinc/89/41/10/382894110.db2.gz FDDGLBVJODKCFX-NXIHDVOMSA-N -1 3 261.321 2.721 20 30 CFEDHM Cc1ccc2c(CN(CC#N)C3CC3)ccc([O-])c2n1 ZINC000338237536 382959906 /nfs/dbraw/zinc/95/99/06/382959906.db2.gz RDXFXNFDDKAFPU-UHFFFAOYSA-N -1 3 267.332 2.737 20 30 CFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N(C)C)c2)nc(C)n1 ZINC000338629236 383024860 /nfs/dbraw/zinc/02/48/60/383024860.db2.gz YNGJQPFWRQLYRM-HNNXBMFYSA-N -1 3 294.358 2.650 20 30 CFEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(NC(=O)OCC)cc1 ZINC000497069515 383129975 /nfs/dbraw/zinc/12/99/75/383129975.db2.gz DQLRANNMFYRMAR-JTQLQIEISA-N -1 3 293.323 2.883 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000497069515 383129976 /nfs/dbraw/zinc/12/99/76/383129976.db2.gz DQLRANNMFYRMAR-JTQLQIEISA-N -1 3 293.323 2.883 20 30 CFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000339371900 383192476 /nfs/dbraw/zinc/19/24/76/383192476.db2.gz ANCLZVHNPDYEKQ-QMMMGPOBSA-N -1 3 277.748 2.722 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(CC)c1[O-] ZINC000515120007 383158678 /nfs/dbraw/zinc/15/86/78/383158678.db2.gz PPYMEGCYBKSCAI-BBRMVZONSA-N -1 3 289.375 2.666 20 30 CFEDHM C=CCCCS(=O)(=O)[N-]c1ccc2nc(C)oc2c1 ZINC000567870032 383324760 /nfs/dbraw/zinc/32/47/60/383324760.db2.gz QIYBBZMJIGAISG-UHFFFAOYSA-N -1 3 280.349 2.844 20 30 CFEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000488153470 383500507 /nfs/dbraw/zinc/50/05/07/383500507.db2.gz SFZYBFDLCSHSCR-NSHDSACASA-N -1 3 271.345 2.929 20 30 CFEDHM C=CCC[C@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000635307184 383529421 /nfs/dbraw/zinc/52/94/21/383529421.db2.gz HSRZHZNDNBACDL-HNNXBMFYSA-N -1 3 299.374 2.915 20 30 CFEDHM C=C(C)C(C)(C)C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636321100 383763714 /nfs/dbraw/zinc/76/37/14/383763714.db2.gz CAXFBFUBSKOJCQ-UHFFFAOYSA-N -1 3 289.379 2.668 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCC12CCC(CC1)C2 ZINC000436477793 383821351 /nfs/dbraw/zinc/82/13/51/383821351.db2.gz ZSTWUBGZBPIYJF-UHFFFAOYSA-N -1 3 265.382 2.842 20 30 CFEDHM C=C(C)COCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436589576 383848539 /nfs/dbraw/zinc/84/85/39/383848539.db2.gz WNXYSQQTGQLEGS-UHFFFAOYSA-N -1 3 289.375 2.594 20 30 CFEDHM Cc1ccc(C(=O)NCC#Cc2cccc(F)c2)c([O-])c1C ZINC000436655011 383866415 /nfs/dbraw/zinc/86/64/15/383866415.db2.gz HJQOETJKCZGGEZ-UHFFFAOYSA-N -1 3 297.329 2.930 20 30 CFEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)n2C)n1 ZINC000453690567 383897367 /nfs/dbraw/zinc/89/73/67/383897367.db2.gz JQTZLFUTDXKKSS-NSHDSACASA-N -1 3 298.371 2.967 20 30 CFEDHM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000438233183 383973528 /nfs/dbraw/zinc/97/35/28/383973528.db2.gz FQVGYQCCOUTNJB-UHFFFAOYSA-N -1 3 292.298 2.524 20 30 CFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@@H]2Cc2ccccc2)c1[O-] ZINC000266015017 384053807 /nfs/dbraw/zinc/05/38/07/384053807.db2.gz RXKQHUNMZGXVPU-UOOYZNIZSA-N -1 3 296.370 2.638 20 30 CFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000574898066 384161389 /nfs/dbraw/zinc/16/13/89/384161389.db2.gz PWMZNFBZSVHRMH-SKDRFNHKSA-N -1 3 267.712 2.575 20 30 CFEDHM C=CCCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000277850635 384423278 /nfs/dbraw/zinc/42/32/78/384423278.db2.gz JKGBVWOKJWPXQK-UHFFFAOYSA-N -1 3 260.293 2.960 20 30 CFEDHM C=CCOc1ccccc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000574810474 335049094 /nfs/dbraw/zinc/04/90/94/335049094.db2.gz HMWKBBZKMAHLOK-UKRRQHHQSA-N -1 3 289.375 2.794 20 30 CFEDHM CC(C)(C)[C@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000270580015 385152451 /nfs/dbraw/zinc/15/24/51/385152451.db2.gz FHUVQIBLKQYLSW-FZIHFEGISA-N -1 3 293.363 2.816 20 30 CFEDHM C=CCCO[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000270882629 385256354 /nfs/dbraw/zinc/25/63/54/385256354.db2.gz AVWUCCUIUIMVSO-LBPRGKRZSA-N -1 3 275.348 2.653 20 30 CFEDHM C[C@H](CC#N)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271245083 385377587 /nfs/dbraw/zinc/37/75/87/385377587.db2.gz IESNGRPJYHBZCC-LLVKDONJSA-N -1 3 272.348 2.645 20 30 CFEDHM Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c([O-])c1C ZINC000271223948 385378110 /nfs/dbraw/zinc/37/81/10/385378110.db2.gz DKMPKEBYAHUBDQ-GFCCVEGCSA-N -1 3 260.337 2.677 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282954731 385415503 /nfs/dbraw/zinc/41/55/03/385415503.db2.gz ZKXLSRBKMNLUKX-UHFFFAOYSA-N -1 3 290.342 2.915 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282954731 385415505 /nfs/dbraw/zinc/41/55/05/385415505.db2.gz ZKXLSRBKMNLUKX-UHFFFAOYSA-N -1 3 290.342 2.915 20 30 CFEDHM C=CCCCCCN(C)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282954731 385415510 /nfs/dbraw/zinc/41/55/10/385415510.db2.gz ZKXLSRBKMNLUKX-UHFFFAOYSA-N -1 3 290.342 2.915 20 30 CFEDHM C=C(C)COc1cccc(NC(=O)[N-]OCCCOC)c1 ZINC000286979818 385755024 /nfs/dbraw/zinc/75/50/24/385755024.db2.gz LJAXPHUGEXNAJL-UHFFFAOYSA-N -1 3 294.351 2.731 20 30 CFEDHM C#C[C@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000274734543 385859713 /nfs/dbraw/zinc/85/97/13/385859713.db2.gz IDUKXIFSCODJHE-QMMMGPOBSA-N -1 3 257.667 2.570 20 30 CFEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(F)c1 ZINC000179183855 393454799 /nfs/dbraw/zinc/45/47/99/393454799.db2.gz VHUBYZPEMWZKLX-MRXNPFEDSA-N -1 3 296.301 2.731 20 30 CFEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(COC)cc1 ZINC000338555035 393790872 /nfs/dbraw/zinc/79/08/72/393790872.db2.gz RCWVVDVWGAMUMR-UHFFFAOYSA-N -1 3 291.376 2.608 20 30 CFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(CSC)cc1 ZINC000416945349 393946688 /nfs/dbraw/zinc/94/66/88/393946688.db2.gz VZUISHFWDVJYLC-GFCCVEGCSA-N -1 3 284.406 2.593 20 30 CFEDHM C=CCCc1ccccc1[N-]S(=O)(=O)[C@@H](C#N)CC ZINC000416954726 393946706 /nfs/dbraw/zinc/94/67/06/393946706.db2.gz IUBRXBGDNVWWJJ-CYBMUJFWSA-N -1 3 278.377 2.849 20 30 CFEDHM C=CCOc1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC000348704272 393956666 /nfs/dbraw/zinc/95/66/66/393956666.db2.gz GXIGZUICWLILDT-UHFFFAOYSA-N -1 3 299.330 2.674 20 30 CFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)c(F)c1 ZINC000417625080 393985727 /nfs/dbraw/zinc/98/57/27/393985727.db2.gz LTFYBUWGGZSTCZ-JTQLQIEISA-N -1 3 271.719 2.988 20 30 CFEDHM C=C(C)CO[N-]C(=O)/C=C\c1ccc(OCC)cc1 ZINC000493107380 394149292 /nfs/dbraw/zinc/14/92/92/394149292.db2.gz PSFTVDMVTLKUGN-YFHOEESVSA-N -1 3 261.321 2.722 20 30 CFEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccc(OC)c(OCC)c1 ZINC000493128708 394157986 /nfs/dbraw/zinc/15/79/86/394157986.db2.gz UJRGZLQDJNJADK-OANVXVOSSA-N -1 3 291.347 2.729 20 30 CFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc([O-])cc1F)OCC ZINC000360859949 394160129 /nfs/dbraw/zinc/16/01/29/394160129.db2.gz OVIALNWJAUKODG-CYBMUJFWSA-N -1 3 267.300 2.841 20 30 CFEDHM C=C(C)[C@H](CC(=O)Nc1ccc([O-])cc1F)OCC ZINC000360859950 394160314 /nfs/dbraw/zinc/16/03/14/394160314.db2.gz OVIALNWJAUKODG-ZDUSSCGKSA-N -1 3 267.300 2.841 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)/C=C\c2cccc(C#N)c2)n1 ZINC000493542420 394272972 /nfs/dbraw/zinc/27/29/72/394272972.db2.gz FXIAJORRJJVKOF-VURMDHGXSA-N -1 3 279.299 2.619 20 30 CFEDHM Cc1ccc([O-])c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000543670052 394737617 /nfs/dbraw/zinc/73/76/17/394737617.db2.gz PEMSAULRZGNYOL-UHFFFAOYSA-N -1 3 287.706 2.873 20 30 CFEDHM C=C[C@H](CCC(=O)[O-])NCc1cnn(-c2ccccc2C)c1 ZINC000647647009 395405087 /nfs/dbraw/zinc/40/50/87/395405087.db2.gz ZDSZHOBHCBYNFO-OAHLLOKOSA-N -1 3 299.374 2.690 20 30 CFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCO3)n1 ZINC000041515887 397554668 /nfs/dbraw/zinc/55/46/68/397554668.db2.gz FYYJKXYXIUWMMH-GFCCVEGCSA-N -1 3 284.340 2.877 20 30 CFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1F ZINC000047343303 397585297 /nfs/dbraw/zinc/58/52/97/397585297.db2.gz URVWYRMFRCPNFV-UHFFFAOYSA-N -1 3 283.266 2.642 20 30 CFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1F ZINC000047343303 397585299 /nfs/dbraw/zinc/58/52/99/397585299.db2.gz URVWYRMFRCPNFV-UHFFFAOYSA-N -1 3 283.266 2.642 20 30 CFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1F ZINC000047343303 397585300 /nfs/dbraw/zinc/58/53/00/397585300.db2.gz 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N#CC1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000189288631 262170368 /nfs/dbraw/zinc/17/03/68/262170368.db2.gz JVALJIOKLIETEJ-UHFFFAOYSA-N -1 3 298.264 2.787 20 30 CFEDHM CCN(CCC#N)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000273188024 263013697 /nfs/dbraw/zinc/01/36/97/263013697.db2.gz HRCAIQBTKNIUPI-UHFFFAOYSA-N -1 3 283.331 2.625 20 30 CFEDHM CC[C@H](CC#N)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000273846826 263020012 /nfs/dbraw/zinc/02/00/12/263020012.db2.gz JARNKTLOSWYWOS-GFCCVEGCSA-N -1 3 260.337 2.938 20 30 CFEDHM CC(C)ON=C([O-])Nc1ccc(C(C)(C)C#N)cc1 ZINC000296457814 263191969 /nfs/dbraw/zinc/19/19/69/263191969.db2.gz VOCHGXJXFPSNBX-UHFFFAOYSA-N -1 3 261.325 2.949 20 30 CFEDHM CC(C)O[N-]C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000296457814 263191970 /nfs/dbraw/zinc/19/19/70/263191970.db2.gz VOCHGXJXFPSNBX-UHFFFAOYSA-N -1 3 261.325 2.949 20 30 CFEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCOC1 ZINC000298450285 263220084 /nfs/dbraw/zinc/22/00/84/263220084.db2.gz YCJWHPZICUAUNI-CULDGANSSA-N -1 3 284.153 2.610 20 30 CFEDHM C=CCCS(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000120142024 263281658 /nfs/dbraw/zinc/28/16/58/263281658.db2.gz LUCAOQGXKUJNOJ-UHFFFAOYSA-N -1 3 287.356 2.931 20 30 CFEDHM C=CCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000121616104 263297065 /nfs/dbraw/zinc/29/70/65/263297065.db2.gz FSCXSDSROZSAKG-UHFFFAOYSA-N -1 3 253.729 2.866 20 30 CFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)ccc1[O-] ZINC000331227810 264151590 /nfs/dbraw/zinc/15/15/90/264151590.db2.gz FWKTUOVYSUSMGQ-DOMZBBRYSA-N -1 3 275.348 2.986 20 30 CFEDHM O=C(N[C@H](CO)CC1CCCC1)c1ccccc1[O-] ZINC000331231176 264152828 /nfs/dbraw/zinc/15/28/28/264152828.db2.gz HWJPNHHKIKOCGW-LBPRGKRZSA-N -1 3 263.337 2.638 20 30 CFEDHM CC[C@@](C)(O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000331234158 264173412 /nfs/dbraw/zinc/17/34/12/264173412.db2.gz KHHDXGRABZOLIG-OAHLLOKOSA-N -1 3 265.353 2.981 20 30 CFEDHM CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c([O-])c1 ZINC000331234152 264173515 /nfs/dbraw/zinc/17/35/15/264173515.db2.gz KGZLAZUGMUMNKL-WCQYABFASA-N -1 3 258.321 2.951 20 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290.326 2.764 20 30 CFEDHM N#Cc1cccc(/C=C/C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000186480738 268234001 /nfs/dbraw/zinc/23/40/01/268234001.db2.gz UUCIBAJSGYWRRA-RMKNXTFCSA-N -1 3 296.301 2.959 20 30 CFEDHM Cc1nc(C(=O)N2CCCc3cccc([O-])c32)ccc1C#N ZINC000182924112 281823814 /nfs/dbraw/zinc/82/38/14/281823814.db2.gz SIFDKSZKSLOTBG-UHFFFAOYSA-N -1 3 293.326 2.560 20 30 CFEDHM Cc1cc(C)c2[n-]cc(C(=O)N(C)[C@H](C)CC#N)c(=O)c2c1 ZINC000164597621 327722402 /nfs/dbraw/zinc/72/24/02/327722402.db2.gz WIBSHHAOADWFMN-GFCCVEGCSA-N -1 3 297.358 2.931 20 30 CFEDHM CCCN(CC#N)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185426466 327839967 /nfs/dbraw/zinc/83/99/67/327839967.db2.gz APCYLBVLRWVFSC-UHFFFAOYSA-N -1 3 272.348 2.647 20 30 CFEDHM Cc1cc([C@@](C)(O)C/N=C/c2ccccc2[O-])c(C)o1 ZINC000266034736 328167626 /nfs/dbraw/zinc/16/76/26/328167626.db2.gz XAJXKVOYTJRYGX-UWNXQOIWSA-N -1 3 273.332 2.929 20 30 CFEDHM C=CCOc1ccccc1CN(C)CCCC(=O)[O-] ZINC000414641206 328206323 /nfs/dbraw/zinc/20/63/23/328206323.db2.gz 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C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000540483513 333731683 /nfs/dbraw/zinc/73/16/83/333731683.db2.gz NZIQGTIJEPYKOJ-LLVKDONJSA-N -1 3 296.367 2.720 20 30 CFEDHM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1ccccn1 ZINC000545449230 333982321 /nfs/dbraw/zinc/98/23/21/333982321.db2.gz OTNVSIQJUHTPAJ-NSHDSACASA-N -1 3 267.288 2.746 20 30 CFEDHM C=CC1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000577737268 335394721 /nfs/dbraw/zinc/39/47/21/335394721.db2.gz MSOJROBUIVXEQN-UHFFFAOYSA-N -1 3 251.351 2.844 20 30 CFEDHM