smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1[O-] ZINC001298425690 816681650 /nfs/dbraw/zinc/68/16/50/816681650.db2.gz LHQVZBDCWRNGSC-SECBINFHSA-N -2 3 261.237 -0.016 20 30 CBEDHL CC[C@@H](C#CC(=O)OC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571203 825304390 /nfs/dbraw/zinc/30/43/90/825304390.db2.gz QUOIUXTYHAQNOE-LURJTMIESA-N -2 3 253.214 -0.383 20 30 CBEDHL CN1[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4cn[n-]c43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233940197 825442921 /nfs/dbraw/zinc/44/29/21/825442921.db2.gz SXWWQIVRLYUVMW-GNARGMICSA-N -2 3 289.295 -0.363 20 30 CBEDHL C#C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(=O)OCC ZINC001233939933 825442982 /nfs/dbraw/zinc/44/29/82/825442982.db2.gz QUNWDGBYMNCPCM-SSDOTTSWSA-N -2 3 262.225 -0.410 20 30 CBEDHL CC[C@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233942328 825443247 /nfs/dbraw/zinc/44/32/47/825443247.db2.gz APPMFNPGVVKBLD-SSDOTTSWSA-N -2 3 276.252 -0.020 20 30 CBEDHL CCO[N-]C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001540567874 923260874 /nfs/dbraw/zinc/26/08/74/923260874.db2.gz DPKRPILHFUYXBN-UHFFFAOYSA-N -2 3 252.230 -0.722 20 30 CBEDHL C[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)C(=O)[O-] ZINC000235488253 352287643 /nfs/dbraw/zinc/28/76/43/352287643.db2.gz XSHDIZGZKCHCHP-SSDOTTSWSA-N -2 3 269.282 -0.048 20 30 CBEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000275048521 352550732 /nfs/dbraw/zinc/55/07/32/352550732.db2.gz RZQGLZIXYMJPHO-MRVPVSSYSA-N -2 3 271.298 -0.137 20 30 CBEDHL C=CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000161289011 220218392 /nfs/dbraw/zinc/21/83/92/220218392.db2.gz BLLDLIYVVFBALT-ZETCQYMHSA-N -2 3 259.287 -0.272 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(F)c1 ZINC000548530832 374204756 /nfs/dbraw/zinc/20/47/56/374204756.db2.gz UTBVTXRUUVZXQQ-QMMMGPOBSA-N -2 3 288.256 -0.579 20 30 CBEDHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)CCCC#N ZINC000737572602 582243259 /nfs/dbraw/zinc/24/32/59/582243259.db2.gz DFEXLNMLIBYHFM-ZETCQYMHSA-N -2 3 278.286 -0.774 20 30 CBEDHL O=C1N=C(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)[N-]C1=O ZINC000765594978 582328500 /nfs/dbraw/zinc/32/85/00/582328500.db2.gz BXCDSHIYZLHATN-UHFFFAOYSA-N -2 3 277.196 -0.764 20 30 CBEDHL Cc1[nH]c(C=NN2CC(=O)[N-]C2=O)cc1C(=O)[O-] ZINC000800809398 582423199 /nfs/dbraw/zinc/42/31/99/582423199.db2.gz MOONNPZHWMGHAB-UHFFFAOYSA-N -2 3 250.214 -0.093 20 30 CBEDHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816697021 582480915 /nfs/dbraw/zinc/48/09/15/582480915.db2.gz OSYLEIAOQGFDLK-RXMQYKEDSA-N -2 3 297.233 -0.450 20 30 CBEDHL C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823920016 582682728 /nfs/dbraw/zinc/68/27/28/582682728.db2.gz WPNVZOHHTPWTKE-QMMMGPOBSA-N -2 3 285.267 -0.181 20 30 CBEDHL C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823920016 582682729 /nfs/dbraw/zinc/68/27/29/582682729.db2.gz WPNVZOHHTPWTKE-QMMMGPOBSA-N -2 3 285.267 -0.181 20 30 CBEDHL C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)NCC(=O)[O-] ZINC000825711109 582744868 /nfs/dbraw/zinc/74/48/68/582744868.db2.gz PBUNIQPZDGQSNX-ZCFIWIBFSA-N -2 3 286.313 -0.149 20 30 CBEDHL C[C@@H](C(=O)[O-])n1cccc1C=NNC1=NC(=O)C(=O)[N-]1 ZINC000833405729 583067104 /nfs/dbraw/zinc/06/71/04/583067104.db2.gz HGWFMAMKWZDGCJ-LURJTMIESA-N -2 3 277.240 -0.930 20 30 CBEDHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000846002874 583347802 /nfs/dbraw/zinc/34/78/02/583347802.db2.gz NZRZOHGUCAQABJ-UHFFFAOYSA-N -2 3 289.338 -0.034 20 30 CBEDHL C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000863421059 583841701 /nfs/dbraw/zinc/84/17/01/583841701.db2.gz TZSHWOBJNHASRI-LURJTMIESA-N -2 3 294.720 -0.311 20 30 CBEDHL C#CCN1CCC[C@H]1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC000898754140 584741448 /nfs/dbraw/zinc/74/14/48/584741448.db2.gz TWMJIKFERGNYGO-VIFPVBQESA-N -2 3 276.296 -0.398 20 30 CBEDHL N=C(c1ccccc1N)N([O-])C(=O)Cc1nnn[n-]1 ZINC001176845064 820468373 /nfs/dbraw/zinc/46/83/73/820468373.db2.gz OQNBQPNJDWLRHU-UHFFFAOYSA-N -2 3 261.245 -0.432 20 30 CBEDHL N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CO[N-]C2=O)c1 ZINC001190661031 823834552 /nfs/dbraw/zinc/83/45/52/823834552.db2.gz KPDRNBZORDPJLH-MRVPVSSYSA-N -2 3 285.256 -0.594 20 30 CBEDHL N#Cc1ccc(F)c(S(=O)(=O)[N-]CS(=O)(=O)[O-])c1 ZINC001190664095 823835812 /nfs/dbraw/zinc/83/58/12/823835812.db2.gz AXFLZKHTQLVCCT-UHFFFAOYSA-N -2 3 294.285 -0.179 20 30 CBEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000542858432 333845884 /nfs/dbraw/zinc/84/58/84/333845884.db2.gz DCIDNIIKMFPOHP-SSDOTTSWSA-N -2 3 257.271 -0.445 20 30 CBEDHL N#Cc1ccc(NC(=O)c2c([O-])[nH]c(=O)[n-]c2=O)cc1 ZINC000750672923 582291804 /nfs/dbraw/zinc/29/18/04/582291804.db2.gz SYGHWOMLZYZMGP-UHFFFAOYSA-N -2 3 272.220 -0.521 20 30 CBEDHL Cn1cc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c(=O)[n-]1 ZINC000814221653 582456071 /nfs/dbraw/zinc/45/60/71/582456071.db2.gz IHEYAOVTCMMTFJ-UHFFFAOYSA-N -2 3 274.244 -0.683 20 30 CBEDHL Cc1cc(C)c(C(=O)[O-])cc1C=NNC1=NC(=O)C(=O)[N-]1 ZINC000814889446 582459018 /nfs/dbraw/zinc/45/90/18/582459018.db2.gz HASWRNTZDAHAPC-UHFFFAOYSA-N -2 3 288.263 -0.062 20 30 CBEDHL Cn1c(N)nc(Cl)c1C=Nn1c(=O)[n-][n-]c1=O ZINC000814940232 582459523 /nfs/dbraw/zinc/45/95/23/582459523.db2.gz RNLCJYQXILXLFK-UHFFFAOYSA-N -2 3 257.641 -0.459 20 30 CBEDHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816697022 582481132 /nfs/dbraw/zinc/48/11/32/582481132.db2.gz OSYLEIAOQGFDLK-YFKPBYRVSA-N -2 3 297.233 -0.450 20 30 CBEDHL O=C(N[C@H]1CCN([O-])C1=O)c1ccc2n[n-]c(=S)n2c1 ZINC000820143479 582555440 /nfs/dbraw/zinc/55/54/40/582555440.db2.gz JRBZXKMOODJHHD-ZETCQYMHSA-N -2 3 293.308 -0.262 20 30 CBEDHL CNC(=O)C(C#N)=C([O-])c1cc(-c2nnn[n-]2)cs1 ZINC000821630120 582613868 /nfs/dbraw/zinc/61/38/68/582613868.db2.gz MZIYSMKPFXRRRF-ZCFIWIBFSA-N -2 3 276.281 -0.003 20 30 CBEDHL CNC(=O)C(C#N)=C([O-])c1cc(-c2nn[n-]n2)cs1 ZINC000821630120 582613869 /nfs/dbraw/zinc/61/38/69/582613869.db2.gz MZIYSMKPFXRRRF-ZCFIWIBFSA-N -2 3 276.281 -0.003 20 30 CBEDHL C=CCCS(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)OC ZINC000825676066 582743771 /nfs/dbraw/zinc/74/37/71/582743771.db2.gz QZSLSLXRYXHYEZ-SSDOTTSWSA-N -2 3 265.287 -0.502 20 30 CBEDHL C=CC[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000830081670 582919310 /nfs/dbraw/zinc/91/93/10/582919310.db2.gz UTARMSXTWPTOQC-ZETCQYMHSA-N -2 3 259.287 -0.272 20 30 CBEDHL CC(C)Cn1[n-]c(CC(=O)N[C@@H]2CCN([O-])C2=O)cc1=O ZINC001159324845 815569825 /nfs/dbraw/zinc/56/98/25/815569825.db2.gz NLORGGZDYLQLCR-SNVBAGLBSA-N -2 3 296.327 -0.519 20 30 CBEDHL C=C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(=O)OC ZINC001233939531 825443299 /nfs/dbraw/zinc/44/32/99/825443299.db2.gz KVPQKARSXXTQBZ-LURJTMIESA-N -2 3 250.214 -0.247 20 30 CBEDHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@H]1CCCN([O-])C1=O ZINC001261550081 826538001 /nfs/dbraw/zinc/53/80/01/826538001.db2.gz NSMIMCIHCNSOGZ-YFKPBYRVSA-N -2 3 287.301 -0.901 20 30 CBEDHL C=CCCn1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)nn1 ZINC001454187992 914177393 /nfs/dbraw/zinc/17/73/93/914177393.db2.gz CEZGFQZLQSTRSP-UHFFFAOYSA-N -2 3 290.283 -0.015 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-] ZINC000593258956 355198332 /nfs/dbraw/zinc/19/83/32/355198332.db2.gz WIGCORISCXJBJS-YFKPBYRVSA-N -2 3 276.295 -0.656 20 30 CBEDHL CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CC1)C(=O)[O-] ZINC000548216980 334146621 /nfs/dbraw/zinc/14/66/21/334146621.db2.gz JSSOMGVUSPSEMS-ZETCQYMHSA-N -2 3 262.287 -0.691 20 30 CBEDHL COC(=O)c1cc(C=Nn2c(=O)[n-][n-]c2=O)on1 ZINC000814940231 582459488 /nfs/dbraw/zinc/45/94/88/582459488.db2.gz RNDTYGKKYZUXME-UHFFFAOYSA-N -2 3 253.174 -0.654 20 30 CBEDHL C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCc2n[n-]nc2C1 ZINC000819823088 582543111 /nfs/dbraw/zinc/54/31/11/582543111.db2.gz RTIVYDYPMPJFJJ-NSHDSACASA-N -2 3 263.257 -0.306 20 30 CBEDHL N#Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[n-]c1C#N ZINC000826387566 582770419 /nfs/dbraw/zinc/77/04/19/582770419.db2.gz CCPCSRJPCSISSD-UHFFFAOYSA-N -2 3 294.238 -0.086 20 30 CBEDHL N#Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[n-]c1C#N ZINC000826387566 582770421 /nfs/dbraw/zinc/77/04/21/582770421.db2.gz CCPCSRJPCSISSD-UHFFFAOYSA-N -2 3 294.238 -0.086 20 30 CBEDHL O=C([O-])Nc1ccc(C=NNC2=NC(=O)C(=O)[N-]2)cn1 ZINC000834254318 583118075 /nfs/dbraw/zinc/11/80/75/583118075.db2.gz AAKHLKLHWDIKJA-UHFFFAOYSA-N -2 3 276.212 -0.893 20 30 CBEDHL O=C([O-])N1CCC[C@H](C=NN2CC(=O)[N-]C2=O)C1 ZINC000834290907 583119477 /nfs/dbraw/zinc/11/94/77/583119477.db2.gz YUHBWMURKPCNIS-SSDOTTSWSA-N -2 3 254.246 -0.086 20 30 CBEDHL O=C(N[C@@H]1CCCN([O-])C1=O)c1cncc([O-])c1 ZINC000848134549 583432097 /nfs/dbraw/zinc/43/20/97/583432097.db2.gz WMXBIVYQBLHAIS-SECBINFHSA-N -2 3 251.242 -0.103 20 30 CBEDHL CC1=C(C([O-])=C2C(=O)[N-]C(=O)NC2=O)CCN1C(C)C ZINC000902837279 584884996 /nfs/dbraw/zinc/88/49/96/584884996.db2.gz GFPALQVWJDJPSC-UHFFFAOYSA-N -2 3 279.296 -0.074 20 30 CBEDHL Cc1nn(CCC(=O)[O-])c(C)c1C=NN1CC(=O)[N-]C1=O ZINC000738921993 600004938 /nfs/dbraw/zinc/00/49/38/600004938.db2.gz BAKGPJQASMQETM-UHFFFAOYSA-N -2 3 293.283 -0.140 20 30 CBEDHL CCOC(=O)C[C@@H](CC#N)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566574 825305324 /nfs/dbraw/zinc/30/53/24/825305324.db2.gz HTDQHHOFYXVLHZ-ZCFIWIBFSA-N -2 3 268.229 -0.103 20 30 CBEDHL N#CCN1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939958 825442593 /nfs/dbraw/zinc/44/25/93/825442593.db2.gz RQACOEMAQHUDSD-ZETCQYMHSA-N -2 3 260.257 -0.377 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000593251992 355198318 /nfs/dbraw/zinc/19/83/18/355198318.db2.gz SPVSTPRTPFFZDT-RXMQYKEDSA-N -2 3 276.295 -0.656 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-] ZINC000594673804 355257189 /nfs/dbraw/zinc/25/71/89/355257189.db2.gz WIGCORISCXJBJS-RXMQYKEDSA-N -2 3 276.295 -0.656 20 30 CBEDHL C=CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000161289133 220219155 /nfs/dbraw/zinc/21/91/55/220219155.db2.gz BLLDLIYVVFBALT-SSDOTTSWSA-N -2 3 259.287 -0.272 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])COC2)s1 ZINC000373817755 303198749 /nfs/dbraw/zinc/19/87/49/303198749.db2.gz BYZHNQMHXSZVTQ-UHFFFAOYSA-N -2 3 288.306 -0.248 20 30 CBEDHL CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CC1)C(=O)[O-] ZINC000548216978 334146588 /nfs/dbraw/zinc/14/65/88/334146588.db2.gz JSSOMGVUSPSEMS-SSDOTTSWSA-N -2 3 262.287 -0.691 20 30 CBEDHL O=C([O-])c1ccccc1C=NNC1=NC(=O)C(=O)[N-]1 ZINC000765592803 582328255 /nfs/dbraw/zinc/32/82/55/582328255.db2.gz VXNPYLRGQQHLPS-UHFFFAOYSA-N -2 3 260.209 -0.679 20 30 CBEDHL O=C([O-])Cn1cc(C=N[N-]c2[nH+]cnc3[n-]cnc32)nn1 ZINC000768483871 582334079 /nfs/dbraw/zinc/33/40/79/582334079.db2.gz QRCHTTFRRLZPAA-UHFFFAOYSA-N -2 3 287.243 -0.525 20 30 CBEDHL CC#CCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000810770910 582449248 /nfs/dbraw/zinc/44/92/48/582449248.db2.gz DLXKKMYVIIYNTP-UHFFFAOYSA-N -2 3 297.336 -0.189 20 30 CBEDHL C#CCO[N-]C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000812785132 582452866 /nfs/dbraw/zinc/45/28/66/582452866.db2.gz GGYRGOGKJOJQLC-UHFFFAOYSA-N -2 3 274.323 -0.293 20 30 CBEDHL O=C1[N-]C(=O)C(=N[N-]c2cc(Cl)ccn2)C(=O)N1 ZINC000814225520 582456200 /nfs/dbraw/zinc/45/62/00/582456200.db2.gz ITTQYOYVHUKEBV-UHFFFAOYSA-N -2 3 267.632 -0.131 20 30 CBEDHL CC(=NNC1=NC(=O)C(=O)[N-]1)c1csc(C(=O)[O-])c1 ZINC000814889706 582459058 /nfs/dbraw/zinc/45/90/58/582459058.db2.gz MVZFKLWZXZMOFM-UHFFFAOYSA-N -2 3 280.265 -0.228 20 30 CBEDHL O=C(N[C@@H]1CCN([O-])C1=O)c1ccc2n[n-]c(=S)n2c1 ZINC000820143478 582555429 /nfs/dbraw/zinc/55/54/29/582555429.db2.gz JRBZXKMOODJHHD-SSDOTTSWSA-N -2 3 293.308 -0.262 20 30 CBEDHL Cc1cc(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)[nH]n1 ZINC000822199735 582628755 /nfs/dbraw/zinc/62/87/55/582628755.db2.gz GAHPKMXDECPFKM-UHFFFAOYSA-N -2 3 298.270 -0.326 20 30 CBEDHL Cc1cc(CC(=O)Nc2nc(-c3nn[n-]n3)c(C#N)[n-]2)n[nH]1 ZINC000822199735 582628758 /nfs/dbraw/zinc/62/87/58/582628758.db2.gz GAHPKMXDECPFKM-UHFFFAOYSA-N -2 3 298.270 -0.326 20 30 CBEDHL O=C1CN(N=Cc2ccc(-c3nnn[n-]3)s2)C(=O)[N-]1 ZINC000823535772 582672427 /nfs/dbraw/zinc/67/24/27/582672427.db2.gz HGOJCCMOVROCMW-UHFFFAOYSA-N -2 3 277.269 -0.186 20 30 CBEDHL O=C1CN(N=Cc2ccc(-c3nn[n-]n3)s2)C(=O)[N-]1 ZINC000823535772 582672428 /nfs/dbraw/zinc/67/24/28/582672428.db2.gz HGOJCCMOVROCMW-UHFFFAOYSA-N -2 3 277.269 -0.186 20 30 CBEDHL N#CC(C(=O)NC1CC1)=C([O-])c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826379438 582769764 /nfs/dbraw/zinc/76/97/64/582769764.db2.gz RNCZUMBROLQCAF-QMMMGPOBSA-N -2 3 285.267 -0.204 20 30 CBEDHL N#CC(C(=O)NC1CC1)=C([O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826379438 582769766 /nfs/dbraw/zinc/76/97/66/582769766.db2.gz RNCZUMBROLQCAF-QMMMGPOBSA-N -2 3 285.267 -0.204 20 30 CBEDHL N#Cc1cn(CCC(=O)[N-]OCC2CC2)c(=O)[n-]c1=O ZINC001298450428 816682460 /nfs/dbraw/zinc/68/24/60/816682460.db2.gz OYJMVDHMMPGTNZ-UHFFFAOYSA-N -2 3 278.268 -0.332 20 30 CBEDHL N#CCCN1CC(Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939723 825442884 /nfs/dbraw/zinc/44/28/84/825442884.db2.gz NIPPHPNSCDBTGJ-UHFFFAOYSA-N -2 3 260.257 -0.377 20 30 CBEDHL Cn1[n-]c(C(=O)N[C@H]2CCCN([O-])C2=O)cc1=O ZINC001261743263 826570900 /nfs/dbraw/zinc/57/09/00/826570900.db2.gz VBVMXMGVCVATAX-LURJTMIESA-N -2 3 254.246 -0.764 20 30 CBEDHL C=CCOC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000570329552 327583766 /nfs/dbraw/zinc/58/37/66/327583766.db2.gz QXIYZQOSSSPZSU-MRVPVSSYSA-N -2 3 289.313 -0.646 20 30 CBEDHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)CCCC#N ZINC000737572597 582243325 /nfs/dbraw/zinc/24/33/25/582243325.db2.gz DFEXLNMLIBYHFM-SSDOTTSWSA-N -2 3 278.286 -0.774 20 30 CBEDHL O=C1N=C(NN=Cc2ccc([O-])c(Cl)c2)[N-]C1=O ZINC000765594010 582328403 /nfs/dbraw/zinc/32/84/03/582328403.db2.gz MVZIDLAGGUDQFC-UHFFFAOYSA-N -2 3 266.644 -0.019 20 30 CBEDHL C#CCO[N-]C(=O)CCCCC(=O)[N-]OCC#C ZINC000812781567 582452822 /nfs/dbraw/zinc/45/28/22/582452822.db2.gz ZXEUQVFHPNYZHO-UHFFFAOYSA-N -2 3 252.270 -0.091 20 30 CBEDHL NC(=O)c1csc(C=Nn2c(=O)[n-][n-]c2=O)c1 ZINC000814232680 582456317 /nfs/dbraw/zinc/45/63/17/582456317.db2.gz IBDMAMRDNDUTJY-UHFFFAOYSA-N -2 3 253.243 -0.268 20 30 CBEDHL O=C(N[C@H]1CCCN([O-])C1=O)c1ncccc1[O-] ZINC000820471492 582570109 /nfs/dbraw/zinc/57/01/09/582570109.db2.gz XKIUPAMHCXXHRQ-ZETCQYMHSA-N -2 3 251.242 -0.103 20 30 CBEDHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1[O-] ZINC000848134790 583432147 /nfs/dbraw/zinc/43/21/47/583432147.db2.gz DQYFSHRXNMHMFT-ZCFIWIBFSA-N -2 3 254.246 -0.466 20 30 CBEDHL CC(C)Cn1[n-]c(CC(=O)N[C@H]2CCN([O-])C2=O)cc1=O ZINC001159324844 815569879 /nfs/dbraw/zinc/56/98/79/815569879.db2.gz NLORGGZDYLQLCR-JTQLQIEISA-N -2 3 296.327 -0.519 20 30 CBEDHL Cc1ccc([O-])c(C(=O)N([O-])C(=N)c2nonc2N)n1 ZINC001195319198 824111737 /nfs/dbraw/zinc/11/17/37/824111737.db2.gz PRGJINIDAVPTQT-UHFFFAOYSA-N -2 3 278.228 -0.082 20 30 CBEDHL C=C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(=O)OC ZINC001233939532 825442646 /nfs/dbraw/zinc/44/26/46/825442646.db2.gz KVPQKARSXXTQBZ-ZCFIWIBFSA-N -2 3 250.214 -0.247 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1[N-]S(=O)(=O)C(F)(F)F ZINC001252391127 825837616 /nfs/dbraw/zinc/83/76/16/825837616.db2.gz RQTWAGOSSIQBCQ-IMJSIDKUSA-N -2 3 262.209 -0.338 20 30 CBEDHL O=C(N[C@@H]1CCCN([O-])C1=O)c1c[n-]n2c1nccc2=O ZINC001329916888 886271633 /nfs/dbraw/zinc/27/16/33/886271633.db2.gz XLEPIVYRMZAQGQ-MRVPVSSYSA-N -2 3 291.267 -0.867 20 30 CBEDHL O=C(N[C@@H]1CCN([O-])C1=O)C(=O)c1ccc([O-])cc1 ZINC001556750181 924082448 /nfs/dbraw/zinc/08/24/48/924082448.db2.gz BPOYODILGOLJLG-SECBINFHSA-N -2 3 264.237 -0.319 20 30 CBEDHL COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230326152 352272474 /nfs/dbraw/zinc/27/24/74/352272474.db2.gz GEIUBEFONKFFFQ-ZETCQYMHSA-N -2 3 290.322 -0.002 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])s1 ZINC000230324110 352272533 /nfs/dbraw/zinc/27/25/33/352272533.db2.gz YKYMZVGBQTWPIU-SSDOTTSWSA-N -2 3 290.322 -0.266 20 30 CBEDHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230322670 352273219 /nfs/dbraw/zinc/27/32/19/352273219.db2.gz PJONCBJTAUITBL-XRGYYRRGSA-N -2 3 290.322 -0.268 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-] ZINC000593254476 355198276 /nfs/dbraw/zinc/19/82/76/355198276.db2.gz LUYXKFJWZFDFEH-ZCFIWIBFSA-N -2 3 290.322 -0.266 20 30 CBEDHL C#CCO[N-]C(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000291344654 277693876 /nfs/dbraw/zinc/69/38/76/277693876.db2.gz WKNWNAAGZZEWMP-UHFFFAOYSA-N -2 3 287.297 -0.749 20 30 CBEDHL N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000737672396 582246586 /nfs/dbraw/zinc/24/65/86/582246586.db2.gz HOLYUMQRCIITKL-SECBINFHSA-N -2 3 297.278 -0.137 20 30 CBEDHL N#Cc1cccc(NC(=O)c2c([O-])[nH]c(=O)[n-]c2=O)c1 ZINC000750672451 582291779 /nfs/dbraw/zinc/29/17/79/582291779.db2.gz QWXDEGZJSHKPEE-UHFFFAOYSA-N -2 3 272.220 -0.521 20 30 CBEDHL O=C([O-])c1ccc(C=NNC2=NC(=O)C(=O)[N-]2)cc1 ZINC000765595453 582328489 /nfs/dbraw/zinc/32/84/89/582328489.db2.gz KPTCSKSXMHSQLV-UHFFFAOYSA-N -2 3 260.209 -0.679 20 30 CBEDHL C#CCO[N-]C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000812783105 582452911 /nfs/dbraw/zinc/45/29/11/582452911.db2.gz YPUVREUWOBEYCX-UHFFFAOYSA-N -2 3 299.286 -0.061 20 30 CBEDHL CS(=O)(=O)c1ccc(C=Nn2c(=O)[n-][n-]c2=O)cc1 ZINC000814233086 582456323 /nfs/dbraw/zinc/45/63/23/582456323.db2.gz ACVZVNHVIBDRMZ-UHFFFAOYSA-N -2 3 282.281 -0.025 20 30 CBEDHL O=C1N=C(NN=Cc2cccc([O-])c2Cl)[N-]C1=O ZINC000814889946 582458983 /nfs/dbraw/zinc/45/89/83/582458983.db2.gz ONRIHQXYRRSHQL-UHFFFAOYSA-N -2 3 266.644 -0.019 20 30 CBEDHL C[C@](C#N)(CC(=O)[O-])C(=O)N1CCc2n[n-]nc2C1 ZINC000819823086 582543137 /nfs/dbraw/zinc/54/31/37/582543137.db2.gz RTIVYDYPMPJFJJ-LLVKDONJSA-N -2 3 263.257 -0.306 20 30 CBEDHL Cc1cc(=O)[n-]c(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)n1 ZINC000822210730 582629056 /nfs/dbraw/zinc/62/90/56/582629056.db2.gz OYMQDYNFZQVTAV-UHFFFAOYSA-N -2 3 298.270 -0.631 20 30 CBEDHL Cc1cc(=O)[n-]c(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)n1 ZINC000822210730 582629059 /nfs/dbraw/zinc/62/90/59/582629059.db2.gz OYMQDYNFZQVTAV-UHFFFAOYSA-N -2 3 298.270 -0.631 20 30 CBEDHL N#Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[n-]c1C#N ZINC000822845995 582649519 /nfs/dbraw/zinc/64/95/19/582649519.db2.gz MIQXDBTVVDAYHC-UHFFFAOYSA-N -2 3 294.238 -0.086 20 30 CBEDHL N#Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[n-]c1C#N ZINC000822845995 582649521 /nfs/dbraw/zinc/64/95/21/582649521.db2.gz MIQXDBTVVDAYHC-UHFFFAOYSA-N -2 3 294.238 -0.086 20 30 CBEDHL N#Cc1ccc2[n-]c(C(=O)NCc3nnn[n-]3)cc(=O)c2c1 ZINC001154559762 815225912 /nfs/dbraw/zinc/22/59/12/815225912.db2.gz SPMYQEDDQLNHTO-UHFFFAOYSA-N -2 3 295.262 -0.157 20 30 CBEDHL Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CCN([O-])C1=O ZINC001159324431 815570034 /nfs/dbraw/zinc/57/00/34/815570034.db2.gz INDWSSVSHNGKOR-QMMMGPOBSA-N -2 3 276.252 -0.313 20 30 CBEDHL CC(=O)N[C@@H](CS)C(=O)NCCCCP(=O)([O-])[O-] ZINC001144427068 814776246 /nfs/dbraw/zinc/77/62/46/814776246.db2.gz RXCHDMISSFQXJL-QMMMGPOBSA-N -2 3 298.301 -0.505 20 30 CBEDHL C[C@H](C#N)S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001193173852 824012990 /nfs/dbraw/zinc/01/29/90/824012990.db2.gz VVOLIGDEDLBYNA-SSDOTTSWSA-N -2 3 270.247 -0.224 20 30 CBEDHL CN1[C@@H]2C[C@@H](OCCP(=O)([O-])[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001224602774 825244389 /nfs/dbraw/zinc/24/43/89/825244389.db2.gz TZUFPZAGOPASND-XNRKMWMOSA-N -2 3 263.230 -0.207 20 30 CBEDHL Cc1cc([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc(C)n1 ZINC001343846928 889973018 /nfs/dbraw/zinc/97/30/18/889973018.db2.gz KHJDSVSRHDIKTL-UHFFFAOYSA-N -2 3 262.229 -0.773 20 30 CBEDHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230326150 352272651 /nfs/dbraw/zinc/27/26/51/352272651.db2.gz GEIUBEFONKFFFQ-SSDOTTSWSA-N -2 3 290.322 -0.002 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])s1 ZINC000230324107 352273102 /nfs/dbraw/zinc/27/31/02/352273102.db2.gz YKYMZVGBQTWPIU-ZETCQYMHSA-N -2 3 290.322 -0.266 20 30 CBEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000274921863 352547912 /nfs/dbraw/zinc/54/79/12/352547912.db2.gz AWFSZMAWKDGYFN-MRVPVSSYSA-N -2 3 271.298 -0.435 20 30 CBEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000274990802 352550044 /nfs/dbraw/zinc/55/00/44/352550044.db2.gz KSXZCNFJPOVMLI-VIFPVBQESA-N -2 3 285.325 -0.127 20 30 CBEDHL C=CCOC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000572638135 354894307 /nfs/dbraw/zinc/89/43/07/354894307.db2.gz PSKZYFGJQNTBJM-ZETCQYMHSA-N -2 3 275.286 -0.656 20 30 CBEDHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-] ZINC000593250756 355198509 /nfs/dbraw/zinc/19/85/09/355198509.db2.gz BAQBEHRQAKCZFW-XNCJUZBTSA-N -2 3 290.322 -0.268 20 30 CBEDHL COc1cc(=NC(=O)N=c2[n-]n(C)cc2C#N)[n-]n1C ZINC000617995294 356173277 /nfs/dbraw/zinc/17/32/77/356173277.db2.gz DZHXCZOUEQBUEW-UHFFFAOYSA-N -2 3 275.272 -0.478 20 30 CBEDHL N#Cc1cccc(CS(=O)(=O)[N-]C2(C(=O)[O-])COC2)c1 ZINC000372259692 248816041 /nfs/dbraw/zinc/81/60/41/248816041.db2.gz BWYOABPZODPKPL-UHFFFAOYSA-N -2 3 296.304 -0.169 20 30 CBEDHL CC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(F)cc1[O-] ZINC000765582894 582328007 /nfs/dbraw/zinc/32/80/07/582328007.db2.gz BSKAYSDJXTUGGY-UHFFFAOYSA-N -2 3 264.216 -0.143 20 30 CBEDHL COC(=O)c1ccc(C=Nn2c(=O)[n-][n-]c2=O)[nH]1 ZINC000814232345 582456249 /nfs/dbraw/zinc/45/62/49/582456249.db2.gz RPBFNTFENQNIKE-UHFFFAOYSA-N -2 3 251.202 -0.314 20 30 CBEDHL COC(=O)c1coc(C=Nn2c(=O)[n-][n-]c2=O)c1 ZINC000814233104 582456279 /nfs/dbraw/zinc/45/62/79/582456279.db2.gz AXVGTLLIHWAXPY-UHFFFAOYSA-N -2 3 252.186 -0.049 20 30 CBEDHL O=c1[n-][n-]c(=O)n1N=Cc1cnc(N2CCCC2)nc1 ZINC000814232363 582456326 /nfs/dbraw/zinc/45/63/26/582456326.db2.gz SRQCIFNLHXCWKE-UHFFFAOYSA-N -2 3 275.272 -0.038 20 30 CBEDHL CNC(=O)C(C#N)=C([O-])c1ccc(-c2nnn[n-]2)s1 ZINC000821630097 582613760 /nfs/dbraw/zinc/61/37/60/582613760.db2.gz MGQHCPQDWZDHPS-YFKPBYRVSA-N -2 3 276.281 -0.003 20 30 CBEDHL Cc1cc(=O)[n-]c(Cn2c(N)nc(-c3nnn[n-]3)c2C#N)n1 ZINC000822210582 582629259 /nfs/dbraw/zinc/62/92/59/582629259.db2.gz IYOTVWAPLWFYFH-UHFFFAOYSA-N -2 3 298.270 -0.631 20 30 CBEDHL Cc1cc(=O)[n-]c(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)n1 ZINC000822210582 582629261 /nfs/dbraw/zinc/62/92/61/582629261.db2.gz IYOTVWAPLWFYFH-UHFFFAOYSA-N -2 3 298.270 -0.631 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823932369 582683035 /nfs/dbraw/zinc/68/30/35/582683035.db2.gz VVIHWNOUSSEUJN-UHFFFAOYSA-N -2 3 282.285 -0.560 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823932369 582683037 /nfs/dbraw/zinc/68/30/37/582683037.db2.gz VVIHWNOUSSEUJN-UHFFFAOYSA-N -2 3 282.285 -0.560 20 30 CBEDHL C=CCCS(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)OC ZINC000825676067 582743833 /nfs/dbraw/zinc/74/38/33/582743833.db2.gz QZSLSLXRYXHYEZ-ZETCQYMHSA-N -2 3 265.287 -0.502 20 30 CBEDHL C#CCOCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833366473 583064376 /nfs/dbraw/zinc/06/43/76/583064376.db2.gz YMICHWFTPBNEAD-UHFFFAOYSA-N -2 3 290.322 -0.231 20 30 CBEDHL CC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc(C(=O)[O-])cc1 ZINC000833386391 583065885 /nfs/dbraw/zinc/06/58/85/583065885.db2.gz BDMGAQXSHFELPM-UHFFFAOYSA-N -2 3 274.236 -0.289 20 30 CBEDHL COCCN(CCC#N)S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000844798243 583283192 /nfs/dbraw/zinc/28/31/92/583283192.db2.gz HDYAEQDSYZZQLR-MRVPVSSYSA-N -2 3 297.308 -0.894 20 30 CBEDHL C=C[C@H](C)O[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000846549019 583375867 /nfs/dbraw/zinc/37/58/67/583375867.db2.gz WRXOJVJDWJWOGR-QMMMGPOBSA-N -2 3 288.329 -0.679 20 30 CBEDHL Cc1n[nH]c(C(=O)N[C@H]2CCCN([O-])C2=O)c1[O-] ZINC000848134789 583432011 /nfs/dbraw/zinc/43/20/11/583432011.db2.gz DQYFSHRXNMHMFT-LURJTMIESA-N -2 3 254.246 -0.466 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C(=O)[O-])nn1 ZINC001171363203 820358301 /nfs/dbraw/zinc/35/83/01/820358301.db2.gz UGXVDWAPXICMFT-XNCJUZBTSA-N -2 3 252.230 -0.177 20 30 CBEDHL COc1nc([N-]S(=O)(=O)[C@@H](C)C#N)cc(=O)[n-]1 ZINC001193104856 824003854 /nfs/dbraw/zinc/00/38/54/824003854.db2.gz NPOCGIFARKRJQS-YFKPBYRVSA-N -2 3 258.259 -0.155 20 30 CBEDHL CC[C@@H](C#CC(=O)OC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233942331 825442662 /nfs/dbraw/zinc/44/26/62/825442662.db2.gz APPMFNPGVVKBLD-ZETCQYMHSA-N -2 3 276.252 -0.020 20 30 CBEDHL CSc1ncc(C(=O)N[C@@H]2CCN([O-])C2=O)c(=O)[n-]1 ZINC001450153392 913649502 /nfs/dbraw/zinc/64/95/02/913649502.db2.gz CHFMGQIILFAZFI-ZCFIWIBFSA-N -2 3 284.297 -0.376 20 30 CBEDHL CC#CC[C@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000275048522 352551169 /nfs/dbraw/zinc/55/11/69/352551169.db2.gz RZQGLZIXYMJPHO-QMMMGPOBSA-N -2 3 271.298 -0.137 20 30 CBEDHL N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000737672397 582246716 /nfs/dbraw/zinc/24/67/16/582246716.db2.gz HOLYUMQRCIITKL-VIFPVBQESA-N -2 3 297.278 -0.137 20 30 CBEDHL N#Cc1ccc([O-])c(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000764483980 582323510 /nfs/dbraw/zinc/32/35/10/582323510.db2.gz GNKOMXWBQUXJEN-QMMMGPOBSA-N -2 3 274.236 -0.200 20 30 CBEDHL O=C1N=C(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)[N-]C1=O ZINC000765594969 582328515 /nfs/dbraw/zinc/32/85/15/582328515.db2.gz BRAZXMLIIKLRJI-UHFFFAOYSA-N -2 3 277.196 -0.764 20 30 CBEDHL O=C([O-])c1ccc(C=NNC2=NC(=O)C(=O)[N-]2)c(Cl)c1 ZINC000783863371 582373076 /nfs/dbraw/zinc/37/30/76/582373076.db2.gz KTECALNQXGAUIG-UHFFFAOYSA-N -2 3 294.654 -0.026 20 30 CBEDHL Cc1ncc(CO)c(C=Nn2c(=O)[n-][nH]c2=O)c1[O-] ZINC000814231729 582456190 /nfs/dbraw/zinc/45/61/90/582456190.db2.gz MKOCTUDGWJIFQU-UHFFFAOYSA-N -2 3 265.229 -0.527 20 30 CBEDHL CCOC(=O)c1cc(C=Nn2c(=O)[n-][n-]c2=O)on1 ZINC000814231855 582456254 /nfs/dbraw/zinc/45/62/54/582456254.db2.gz PTAJFEPLJSPVOM-UHFFFAOYSA-N -2 3 267.201 -0.264 20 30 CBEDHL O=c1[n-][n-]c(=O)n1N=Cc1ccc2c(c1)NC(=O)CO2 ZINC000814233556 582456295 /nfs/dbraw/zinc/45/62/95/582456295.db2.gz VZVNAWKRVUOPEL-UHFFFAOYSA-N -2 3 275.224 -0.098 20 30 CBEDHL COc1cc(C=Nn2c(=O)[n-][n-]c2=O)cc(O)c1O ZINC000814233070 582456311 /nfs/dbraw/zinc/45/63/11/582456311.db2.gz ZJVHHCAMBVVVAE-UHFFFAOYSA-N -2 3 266.213 -0.009 20 30 CBEDHL O=C(N[C@@H]1CCCN([O-])C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816759782 582484742 /nfs/dbraw/zinc/48/47/42/582484742.db2.gz UWCFNOUYHSIKJW-SSDOTTSWSA-N -2 3 296.239 -0.195 20 30 CBEDHL N#Cc1nc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[n-]c1C#N ZINC000826387761 582770310 /nfs/dbraw/zinc/77/03/10/582770310.db2.gz PVEWADYHLWDMHN-UHFFFAOYSA-N -2 3 294.238 -0.086 20 30 CBEDHL N#Cc1nc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[n-]c1C#N ZINC000826387761 582770313 /nfs/dbraw/zinc/77/03/13/582770313.db2.gz PVEWADYHLWDMHN-UHFFFAOYSA-N -2 3 294.238 -0.086 20 30 CBEDHL CC[C@@H](C#N)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833636258 583077460 /nfs/dbraw/zinc/07/74/60/583077460.db2.gz MUBYEZZCVVPQAN-LURJTMIESA-N -2 3 272.286 -0.003 20 30 CBEDHL C=C[C@@H](C)O[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000846549017 583375947 /nfs/dbraw/zinc/37/59/47/583375947.db2.gz WRXOJVJDWJWOGR-MRVPVSSYSA-N -2 3 288.329 -0.679 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001324833061 804200759 /nfs/dbraw/zinc/20/07/59/804200759.db2.gz TZXPUDLIICFHEO-UHFFFAOYSA-N -2 3 285.325 -0.026 20 30 CBEDHL COc1nc([N-]S(=O)(=O)[C@H](C)C#N)cc(=O)[n-]1 ZINC001193104852 824004087 /nfs/dbraw/zinc/00/40/87/824004087.db2.gz NPOCGIFARKRJQS-RXMQYKEDSA-N -2 3 258.259 -0.155 20 30 CBEDHL Cc1cc(=O)[n-]c(CNc2[n-]c(=O)n(C)c(=O)c2C#N)n1 ZINC001458470153 914653498 /nfs/dbraw/zinc/65/34/98/914653498.db2.gz QIOMHPCIYITIGO-UHFFFAOYSA-N -2 3 288.267 -0.639 20 30 CBEDHL O=C(N[C@H]1CCN([O-])C1=O)C(=O)c1ccc([O-])cc1 ZINC001556750182 924082582 /nfs/dbraw/zinc/08/25/82/924082582.db2.gz BPOYODILGOLJLG-VIFPVBQESA-N -2 3 264.237 -0.319 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])s1 ZINC000230322906 372878011 /nfs/dbraw/zinc/87/80/11/372878011.db2.gz YRTKLBHKDGEVFL-LURJTMIESA-N -2 3 276.295 -0.656 20 30 CBEDHL C#CCO[N-]C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000291279053 220308813 /nfs/dbraw/zinc/30/88/13/220308813.db2.gz OMXGPKYVIGUNQS-UHFFFAOYSA-N -2 3 274.280 -0.137 20 30 CBEDHL N#Cc1c[n-]c(=O)n(Cc2cc(=O)[n-]c(C3CC3)n2)c1=O ZINC000563127713 327927575 /nfs/dbraw/zinc/92/75/75/327927575.db2.gz QJJTWNMUNFSFND-UHFFFAOYSA-N -2 3 285.263 -0.170 20 30 CBEDHL C#CCO[N-]C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000812785148 582452880 /nfs/dbraw/zinc/45/28/80/582452880.db2.gz GYPYCHVYQUAQQA-UHFFFAOYSA-N -2 3 293.304 -0.594 20 30 CBEDHL CCOC(=O)c1nn(C)cc1C=Nn1c(=O)[n-][n-]c1=O ZINC000814233251 582456270 /nfs/dbraw/zinc/45/62/70/582456270.db2.gz IFQXGGWGEJNPFM-UHFFFAOYSA-N -2 3 280.244 -0.518 20 30 CBEDHL C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)NCC(=O)[O-] ZINC000825711108 582744859 /nfs/dbraw/zinc/74/48/59/582744859.db2.gz PBUNIQPZDGQSNX-LURJTMIESA-N -2 3 286.313 -0.149 20 30 CBEDHL O=C(N[C@H]1CCCN([O-])C1=O)c1cncc([O-])c1 ZINC000848134551 583432072 /nfs/dbraw/zinc/43/20/72/583432072.db2.gz WMXBIVYQBLHAIS-VIFPVBQESA-N -2 3 251.242 -0.103 20 30 CBEDHL O=C([O-])c1ccc(O)c(C=NN2CC(=O)[N-]C2=O)c1 ZINC000740306474 599907296 /nfs/dbraw/zinc/90/72/96/599907296.db2.gz FTJSNXZDRXWXBH-UHFFFAOYSA-N -2 3 263.209 -0.024 20 30 CBEDHL CC[C@H](C#CC(=O)OC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571212 825304466 /nfs/dbraw/zinc/30/44/66/825304466.db2.gz QUOIUXTYHAQNOE-ZCFIWIBFSA-N -2 3 253.214 -0.383 20 30 CBEDHL O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H]1CCCN([O-])C1=O ZINC001261550080 826538056 /nfs/dbraw/zinc/53/80/56/826538056.db2.gz NSMIMCIHCNSOGZ-RXMQYKEDSA-N -2 3 287.301 -0.901 20 30 CBEDHL C=CCCO[N-]C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001454240465 914185593 /nfs/dbraw/zinc/18/55/93/914185593.db2.gz RGUISULRBNMKOQ-UHFFFAOYSA-N -2 3 278.268 -0.165 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])s1 ZINC000230325632 352273255 /nfs/dbraw/zinc/27/32/55/352273255.db2.gz KCVNTWATLYLBQE-ZCFIWIBFSA-N -2 3 276.295 -0.656 20 30 CBEDHL C=CCOC[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000565479299 354738507 /nfs/dbraw/zinc/73/85/07/354738507.db2.gz UCQZBSXIMVINCA-QMMMGPOBSA-N -2 3 289.313 -0.646 20 30 CBEDHL C=CCOC[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000572638134 354894223 /nfs/dbraw/zinc/89/42/23/354894223.db2.gz PSKZYFGJQNTBJM-SSDOTTSWSA-N -2 3 275.286 -0.656 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000593256364 355198420 /nfs/dbraw/zinc/19/84/20/355198420.db2.gz MCLLOWIOVGGHLO-UHFFFAOYSA-N -2 3 290.322 -0.001 20 30 CBEDHL COC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-] ZINC000593259955 355198489 /nfs/dbraw/zinc/19/84/89/355198489.db2.gz MRDHSLJPVMQRIX-LURJTMIESA-N -2 3 290.322 -0.002 20 30 CBEDHL COC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-] ZINC000593259956 355198505 /nfs/dbraw/zinc/19/85/05/355198505.db2.gz MRDHSLJPVMQRIX-ZCFIWIBFSA-N -2 3 290.322 -0.002 20 30 CBEDHL C=CCOC[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000565479298 334567108 /nfs/dbraw/zinc/56/71/08/334567108.db2.gz UCQZBSXIMVINCA-MRVPVSSYSA-N -2 3 289.313 -0.646 20 30 CBEDHL O=C1N=C(NN=Cc2cc([N+](=O)[O-])ccc2[O-])[N-]C1=O ZINC000765591315 582328122 /nfs/dbraw/zinc/32/81/22/582328122.db2.gz KOWFDCIPJNQJFF-UHFFFAOYSA-N -2 3 277.196 -0.764 20 30 CBEDHL CC(=NNC1=NC(=O)C(=O)[N-]1)c1cc(F)cc(F)c1[O-] ZINC000765593247 582328292 /nfs/dbraw/zinc/32/82/92/582328292.db2.gz MBDAUTOPBLGMDO-UHFFFAOYSA-N -2 3 282.206 -0.004 20 30 CBEDHL O=C([O-])COc1cccc(C=NNC2=NC(=O)C(=O)[N-]2)c1 ZINC000765594406 582328380 /nfs/dbraw/zinc/32/83/80/582328380.db2.gz SBLPIFHDTXXSLM-UHFFFAOYSA-N -2 3 290.235 -0.914 20 30 CBEDHL O=C1N=C(NN=Cc2cc([O-])ccc2[N+](=O)[O-])[N-]C1=O ZINC000765594381 582328416 /nfs/dbraw/zinc/32/84/16/582328416.db2.gz RGEZTTRMSSGOOT-UHFFFAOYSA-N -2 3 277.196 -0.764 20 30 CBEDHL CC(=NNC1=NC(=O)C(=O)[N-]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000765596340 582328580 /nfs/dbraw/zinc/32/85/80/582328580.db2.gz XXIPSXMJMJEHGZ-UHFFFAOYSA-N -2 3 291.223 -0.374 20 30 CBEDHL O=C([O-])c1cc(C=NN2CC(=O)[N-]C2=O)ccc1O ZINC000777430129 582356556 /nfs/dbraw/zinc/35/65/56/582356556.db2.gz NQINXWLMRWZADJ-UHFFFAOYSA-N -2 3 263.209 -0.024 20 30 CBEDHL COC(=O)c1ccc(C=Nn2c(=O)[n-][n-]c2=O)o1 ZINC000814231450 582456168 /nfs/dbraw/zinc/45/61/68/582456168.db2.gz XQGRQDKKALUJEG-UHFFFAOYSA-N -2 3 252.186 -0.049 20 30 CBEDHL O=C(N[C@H]1CCN([O-])C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816697057 582481089 /nfs/dbraw/zinc/48/10/89/582481089.db2.gz PUVVWBWGJOKZNO-LURJTMIESA-N -2 3 282.212 -0.585 20 30 CBEDHL O=C1CN(N=Cc2ccc(-c3nnn[n-]3)o2)C(=O)[N-]1 ZINC000823535891 582672819 /nfs/dbraw/zinc/67/28/19/582672819.db2.gz LJQLXDQBJOCANE-UHFFFAOYSA-N -2 3 261.201 -0.655 20 30 CBEDHL O=C1CN(N=Cc2ccc(-c3nn[n-]n3)o2)C(=O)[N-]1 ZINC000823535891 582672821 /nfs/dbraw/zinc/67/28/21/582672821.db2.gz LJQLXDQBJOCANE-UHFFFAOYSA-N -2 3 261.201 -0.655 20 30 CBEDHL O=C1CN(N=Cc2ccccc2-c2nnn[n-]2)C(=O)[N-]1 ZINC000826481463 582776238 /nfs/dbraw/zinc/77/62/38/582776238.db2.gz VQTDXNOCKWFRNS-UHFFFAOYSA-N -2 3 271.240 -0.248 20 30 CBEDHL O=C([O-])N1CCC[C@@H](C=NN2CC(=O)[N-]C2=O)C1 ZINC000834290908 583119348 /nfs/dbraw/zinc/11/93/48/583119348.db2.gz YUHBWMURKPCNIS-ZETCQYMHSA-N -2 3 254.246 -0.086 20 30 CBEDHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000846002688 583347913 /nfs/dbraw/zinc/34/79/13/583347913.db2.gz KSGPQURGWZGYPV-UHFFFAOYSA-N -2 3 289.338 -0.034 20 30 CBEDHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000846002712 583347934 /nfs/dbraw/zinc/34/79/34/583347934.db2.gz LRQSGYCXEKNBBY-UHFFFAOYSA-N -2 3 284.297 -0.701 20 30 CBEDHL C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cnnn1C)C(=O)[O-] ZINC000863421060 583841725 /nfs/dbraw/zinc/84/17/25/583841725.db2.gz TZSHWOBJNHASRI-ZCFIWIBFSA-N -2 3 294.720 -0.311 20 30 CBEDHL C#CCSCC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC000898755842 584741670 /nfs/dbraw/zinc/74/16/70/584741670.db2.gz YAGDDQLPVASKHY-UHFFFAOYSA-N -2 3 253.283 -0.130 20 30 CBEDHL N#Cc1ccc2[n-]c(C(=O)N[C@@H]3CO[N-]C3=O)cc(=O)c2c1 ZINC001154559459 815225609 /nfs/dbraw/zinc/22/56/09/815225609.db2.gz MKFOMKVORNYDJF-LLVKDONJSA-N -2 3 298.258 -0.440 20 30 CBEDHL CN(C)c1nc([N-]S(=O)(=O)CC#N)c(N=O)c(=O)[n-]1 ZINC001192943741 823992645 /nfs/dbraw/zinc/99/26/45/823992645.db2.gz VLEMNSZJCPQEDK-UHFFFAOYSA-N -2 3 286.273 -0.089 20 30 CBEDHL Cc1nc(Cl)cc([N-]N=C2C(=O)[N-]C(=O)NC2=O)n1 ZINC001326191892 884938155 /nfs/dbraw/zinc/93/81/55/884938155.db2.gz BNFIMWZXGSPDJH-UHFFFAOYSA-N -2 3 282.647 -0.428 20 30 CBEDHL N#Cc1ncccc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC000352896001 353509567 /nfs/dbraw/zinc/50/95/67/353509567.db2.gz WYANSZQAYOUOQS-UHFFFAOYSA-N -2 3 295.280 -0.849 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-] ZINC000593254475 355198306 /nfs/dbraw/zinc/19/83/06/355198306.db2.gz LUYXKFJWZFDFEH-LURJTMIESA-N -2 3 290.322 -0.266 20 30 CBEDHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-] ZINC000593250757 355198519 /nfs/dbraw/zinc/19/85/19/355198519.db2.gz BAQBEHRQAKCZFW-XRGYYRRGSA-N -2 3 290.322 -0.268 20 30 CBEDHL C=CCOC[C@@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000515380772 373787132 /nfs/dbraw/zinc/78/71/32/373787132.db2.gz GYCBVWQAWIAJNS-SECBINFHSA-N -2 3 290.297 -0.250 20 30 CBEDHL C#CCO[N-]C(=O)[C@@H]1C(C)[C@H]1C(=O)[N-]OCC#C ZINC000296189353 220319035 /nfs/dbraw/zinc/31/90/35/220319035.db2.gz UVBAPSPFXRZBHF-NXEZZACHSA-N -2 3 250.254 -0.770 20 30 CBEDHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1n[nH]c(=O)[n-]1 ZINC000048733570 328321627 /nfs/dbraw/zinc/32/16/27/328321627.db2.gz LVKSSTRLSLYIIE-UHFFFAOYSA-N -2 3 263.139 -0.129 20 30 CBEDHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1n[nH]c(=O)[n-]1 ZINC000048733570 328321628 /nfs/dbraw/zinc/32/16/28/328321628.db2.gz LVKSSTRLSLYIIE-UHFFFAOYSA-N -2 3 263.139 -0.129 20 30 CBEDHL COC(=O)c1cc(C=Nn2c(=O)[n-][n-]c2=O)c[nH]1 ZINC000814231761 582456129 /nfs/dbraw/zinc/45/61/29/582456129.db2.gz MZRIKRCISASQHB-UHFFFAOYSA-N -2 3 251.202 -0.314 20 30 CBEDHL O=C1[N-]C(=O)C(=N[N-]c2cccc(Cl)n2)C(=O)N1 ZINC000814228995 582456175 /nfs/dbraw/zinc/45/61/75/582456175.db2.gz OVBQPJPXYWVOTE-UHFFFAOYSA-N -2 3 267.632 -0.131 20 30 CBEDHL O=C(N[C@H]1CCCN([O-])C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816759783 582484725 /nfs/dbraw/zinc/48/47/25/582484725.db2.gz UWCFNOUYHSIKJW-ZETCQYMHSA-N -2 3 296.239 -0.195 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823932201 582683052 /nfs/dbraw/zinc/68/30/52/582683052.db2.gz RWXVXTFFALIKNG-UHFFFAOYSA-N -2 3 282.285 -0.560 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823932201 582683053 /nfs/dbraw/zinc/68/30/53/582683053.db2.gz RWXVXTFFALIKNG-UHFFFAOYSA-N -2 3 282.285 -0.560 20 30 CBEDHL C[C@H](C(=O)[O-])n1cccc1C=NNC1=NC(=O)C(=O)[N-]1 ZINC000833405730 583067190 /nfs/dbraw/zinc/06/71/90/583067190.db2.gz HGWFMAMKWZDGCJ-ZCFIWIBFSA-N -2 3 277.240 -0.930 20 30 CBEDHL C=CCO[N-]C(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000839788640 583159992 /nfs/dbraw/zinc/15/99/92/583159992.db2.gz HFHYZAQFWBRGBF-UHFFFAOYSA-N -2 3 289.313 -0.196 20 30 CBEDHL C#CCO[N-]C(=O)[C@H]1C(C)[C@@H]1C(=O)[N-]OCC#C ZINC000855607141 583644332 /nfs/dbraw/zinc/64/43/32/583644332.db2.gz UVBAPSPFXRZBHF-UWVGGRQHSA-N -2 3 250.254 -0.770 20 30 CBEDHL N#Cc1cc(Cl)nc([N-]N=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC001324883462 804206410 /nfs/dbraw/zinc/20/64/10/804206410.db2.gz PBTJPQNLSLNFIB-UHFFFAOYSA-N -2 3 292.642 -0.259 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1Nc1cccc(S(=O)(=O)[O-])n1 ZINC001171363047 820359747 /nfs/dbraw/zinc/35/97/47/820359747.db2.gz PBAACBXICNRKIU-RCOVLWMOSA-N -2 3 287.297 -0.024 20 30 CBEDHL N#CCS(=O)(=O)[N-]c1[nH]c(=O)[n-]c(=O)c1N=O ZINC001192943799 823992986 /nfs/dbraw/zinc/99/29/86/823992986.db2.gz VYBFEVCKMZJOEM-UHFFFAOYSA-N -2 3 259.203 -0.449 20 30 CBEDHL N#CCS(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001192993707 823997703 /nfs/dbraw/zinc/99/77/03/823997703.db2.gz DBZFOPYKMUQEFM-UHFFFAOYSA-N -2 3 256.220 -0.613 20 30 CBEDHL N#CCN1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233939957 825442792 /nfs/dbraw/zinc/44/27/92/825442792.db2.gz RQACOEMAQHUDSD-SSDOTTSWSA-N -2 3 260.257 -0.377 20 30 CBEDHL C#C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(=O)OCC ZINC001233939934 825443351 /nfs/dbraw/zinc/44/33/51/825443351.db2.gz QUNWDGBYMNCPCM-ZETCQYMHSA-N -2 3 262.225 -0.410 20 30 CBEDHL CSc1ncc(C(=O)N[C@H]2CCN([O-])C2=O)c(=O)[n-]1 ZINC001450153390 913651206 /nfs/dbraw/zinc/65/12/06/913651206.db2.gz CHFMGQIILFAZFI-LURJTMIESA-N -2 3 284.297 -0.376 20 30 CBEDHL COC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnn[n-]1 ZINC001419546357 906718252 /nfs/dbraw/zinc/71/82/52/906718252.db2.gz APOZZQFEWWTDPV-VIFPVBQESA-N -2 3 288.267 -0.106 20 30 CBEDHL COC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nn[n-]n1 ZINC001419546357 906718264 /nfs/dbraw/zinc/71/82/64/906718264.db2.gz APOZZQFEWWTDPV-VIFPVBQESA-N -2 3 288.267 -0.106 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1 ZINC000230325635 352272998 /nfs/dbraw/zinc/27/29/98/352272998.db2.gz KCVNTWATLYLBQE-LURJTMIESA-N -2 3 276.295 -0.656 20 30 CBEDHL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(=O)[O-] ZINC000340451295 353170195 /nfs/dbraw/zinc/17/01/95/353170195.db2.gz YSNHBSQVSCVMNO-UHFFFAOYSA-N -2 3 285.237 -0.171 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(F)c1 ZINC000548556843 374204567 /nfs/dbraw/zinc/20/45/67/374204567.db2.gz QHZBMLQLJHGEKW-QMMMGPOBSA-N -2 3 288.256 -0.579 20 30 CBEDHL O=C1N=C(NN=Cc2cc(F)c([O-])c(F)c2)[N-]C1=O ZINC000765583505 582328053 /nfs/dbraw/zinc/32/80/53/582328053.db2.gz HBFBEAIPCZTMOS-UHFFFAOYSA-N -2 3 268.179 -0.394 20 30 CBEDHL COC(=O)c1occc1C=Nn1c(=O)[n-][n-]c1=O ZINC000814233598 582456268 /nfs/dbraw/zinc/45/62/68/582456268.db2.gz XZQFPQMJUPEEGG-UHFFFAOYSA-N -2 3 252.186 -0.049 20 30 CBEDHL O=C([O-])c1cccc(C=NNC2=NC(=O)C(=O)[N-]2)c1 ZINC000814890323 582459035 /nfs/dbraw/zinc/45/90/35/582459035.db2.gz SXAAQNSHZWLUKA-UHFFFAOYSA-N -2 3 260.209 -0.679 20 30 CBEDHL Cc1n[nH]cc1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000822015071 582625322 /nfs/dbraw/zinc/62/53/22/582625322.db2.gz BTDASZXJQQSLSJ-UHFFFAOYSA-N -2 3 284.243 -0.255 20 30 CBEDHL Cc1[nH]ncc1C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000822015071 582625324 /nfs/dbraw/zinc/62/53/24/582625324.db2.gz BTDASZXJQQSLSJ-UHFFFAOYSA-N -2 3 284.243 -0.255 20 30 CBEDHL C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823920015 582682734 /nfs/dbraw/zinc/68/27/34/582682734.db2.gz WPNVZOHHTPWTKE-MRVPVSSYSA-N -2 3 285.267 -0.181 20 30 CBEDHL C=CCNC(=O)C(C#N)=C([O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823920015 582682735 /nfs/dbraw/zinc/68/27/35/582682735.db2.gz WPNVZOHHTPWTKE-MRVPVSSYSA-N -2 3 285.267 -0.181 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000823932389 582683024 /nfs/dbraw/zinc/68/30/24/582683024.db2.gz WKSZJSDLMMRMCX-UHFFFAOYSA-N -2 3 296.312 -0.549 20 30 CBEDHL C=CCS(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000823932389 582683026 /nfs/dbraw/zinc/68/30/26/582683026.db2.gz WKSZJSDLMMRMCX-UHFFFAOYSA-N -2 3 296.312 -0.549 20 30 CBEDHL C#CCOCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833366354 583064355 /nfs/dbraw/zinc/06/43/55/583064355.db2.gz SLWLBJUCBVSNGA-UHFFFAOYSA-N -2 3 273.266 -0.094 20 30 CBEDHL COc1ccnc(C(=O)N([O-])C(=N)c2nonc2N)c1[O-] ZINC001193521484 824031049 /nfs/dbraw/zinc/03/10/49/824031049.db2.gz YCSWYRWGSBHYDB-UHFFFAOYSA-N -2 3 294.227 -0.382 20 30 CBEDHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230327392 352272620 /nfs/dbraw/zinc/27/26/20/352272620.db2.gz YMVYUDZKWLZNHE-ZETCQYMHSA-N -2 3 290.322 -0.002 20 30 CBEDHL CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)C(=O)[O-] ZINC000230327394 352272926 /nfs/dbraw/zinc/27/29/26/352272926.db2.gz YMVYUDZKWLZNHE-SSDOTTSWSA-N -2 3 290.322 -0.002 20 30 CBEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000274990800 352549960 /nfs/dbraw/zinc/54/99/60/352549960.db2.gz KSXZCNFJPOVMLI-SECBINFHSA-N -2 3 285.325 -0.127 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-] ZINC000593254818 355198539 /nfs/dbraw/zinc/19/85/39/355198539.db2.gz PVABMUHPPZMYLS-LURJTMIESA-N -2 3 290.322 -0.266 20 30 CBEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000274921864 192843184 /nfs/dbraw/zinc/84/31/84/192843184.db2.gz AWFSZMAWKDGYFN-QMMMGPOBSA-N -2 3 271.298 -0.435 20 30 CBEDHL N#Cc1[n-]c(NC(=O)c2cncc([O-])c2)nc1-c1nn[n-]n1 ZINC000737703904 582247608 /nfs/dbraw/zinc/24/76/08/582247608.db2.gz CJQLVWKKBBNTHP-UHFFFAOYSA-N -3 3 297.238 -0.186 20 30 CBEDHL Cc1ncc(CO)c(C=NN2CC(=O)[N-]C2=O)c1[O-] ZINC000744807175 582280925 /nfs/dbraw/zinc/28/09/25/582280925.db2.gz PAJZEHVMKPQXNA-UHFFFAOYSA-N -2 3 264.241 -0.526 20 30 CBEDHL CC(=NNC1=NC(=O)C(=O)[N-]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000765584970 582328113 /nfs/dbraw/zinc/32/81/13/582328113.db2.gz UVANMTYVZCLDHP-UHFFFAOYSA-N -2 3 291.223 -0.374 20 30 CBEDHL O=C([O-])COc1ccccc1C=NNC1=NC(=O)C(=O)[N-]1 ZINC000765591407 582328117 /nfs/dbraw/zinc/32/81/17/582328117.db2.gz LVIZGMAPYNNZED-UHFFFAOYSA-N -2 3 290.235 -0.914 20 30 CBEDHL O=C([O-])COc1ccc(C=NNC2=NC(=O)C(=O)[N-]2)cc1 ZINC000765591443 582328196 /nfs/dbraw/zinc/32/81/96/582328196.db2.gz MGQSGYJVXIUNFE-UHFFFAOYSA-N -2 3 290.235 -0.914 20 30 CBEDHL C#CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000812781936 582452902 /nfs/dbraw/zinc/45/29/02/582452902.db2.gz KDSBDXJLWVGLEB-UHFFFAOYSA-N -2 3 286.284 -0.215 20 30 CBEDHL O=C([O-])c1cccc(C=NNC2=NC(=O)C(=O)[N-]2)c1Cl ZINC000814889680 582459048 /nfs/dbraw/zinc/45/90/48/582459048.db2.gz MFRXWOBDUTWJGK-UHFFFAOYSA-N -2 3 294.654 -0.026 20 30 CBEDHL CNC(=O)C(C#N)=C([O-])c1ccc(-c2nnn[n-]2)s1 ZINC000821630096 582613827 /nfs/dbraw/zinc/61/38/27/582613827.db2.gz MGQHCPQDWZDHPS-RXMQYKEDSA-N -2 3 276.281 -0.003 20 30 CBEDHL CC[C@H](C#N)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833636259 583077549 /nfs/dbraw/zinc/07/75/49/583077549.db2.gz MUBYEZZCVVPQAN-ZCFIWIBFSA-N -2 3 272.286 -0.003 20 30 CBEDHL N#Cc1c(=O)[n-]cc2c1CCCC2=NNC1=NCC(=O)[N-]1 ZINC000863176674 583833160 /nfs/dbraw/zinc/83/31/60/583833160.db2.gz ZJIVEJINPYKVHG-UHFFFAOYSA-N -2 3 284.279 -0.225 20 30 CBEDHL C=CCNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000393809500 605210075 /nfs/dbraw/zinc/21/00/75/605210075.db2.gz BSRYTPHHTFRRTM-UHFFFAOYSA-N -2 3 288.281 -0.442 20 30 CBEDHL N#CC1(C(=O)[N-]C(=N)SCCS(=O)(=O)[O-])CC1 ZINC001143183382 814762279 /nfs/dbraw/zinc/76/22/79/814762279.db2.gz YBVZTRBGJQUZEU-UHFFFAOYSA-N -2 3 277.327 -0.038 20 30 CBEDHL N#Cc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1[O-] ZINC001298425691 816681635 /nfs/dbraw/zinc/68/16/35/816681635.db2.gz LHQVZBDCWRNGSC-VIFPVBQESA-N -2 3 261.237 -0.016 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1[N-]S(=O)(=O)c1nccs1 ZINC001187918275 822309277 /nfs/dbraw/zinc/30/92/77/822309277.db2.gz ZCVCRYXXMVFXMM-WDSKDSINSA-N -2 3 277.327 -0.343 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1[N-]S(=O)(=O)CC(F)(F)F ZINC001253235195 825908555 /nfs/dbraw/zinc/90/85/55/825908555.db2.gz MVGUACPXBUZBSS-WHFBIAKZSA-N -2 3 276.236 -0.296 20 30 CBEDHL O=C1[N-]C(=O)C(=N[N-]c2cccc(F)n2)C(=O)N1 ZINC001347600184 890485260 /nfs/dbraw/zinc/48/52/60/890485260.db2.gz IHTITSFWKRXLDG-UHFFFAOYSA-N -2 3 251.177 -0.645 20 30 CBEDHL COC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nnn[n-]1 ZINC001419546354 906715682 /nfs/dbraw/zinc/71/56/82/906715682.db2.gz APOZZQFEWWTDPV-SECBINFHSA-N -2 3 288.267 -0.106 20 30 CBEDHL COC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nn[n-]n1 ZINC001419546354 906715688 /nfs/dbraw/zinc/71/56/88/906715688.db2.gz APOZZQFEWWTDPV-SECBINFHSA-N -2 3 288.267 -0.106 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])s1 ZINC000230322910 352273046 /nfs/dbraw/zinc/27/30/46/352273046.db2.gz YRTKLBHKDGEVFL-ZCFIWIBFSA-N -2 3 276.295 -0.656 20 30 CBEDHL C[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)C(=O)[O-] ZINC000235127223 352287037 /nfs/dbraw/zinc/28/70/37/352287037.db2.gz XSHDIZGZKCHCHP-ZETCQYMHSA-N -2 3 269.282 -0.048 20 30 CBEDHL N#Cc1sccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-] ZINC000593251995 355198531 /nfs/dbraw/zinc/19/85/31/355198531.db2.gz SPVSTPRTPFFZDT-YFKPBYRVSA-N -2 3 276.295 -0.656 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c(F)c1 ZINC000547880628 283801141 /nfs/dbraw/zinc/80/11/41/283801141.db2.gz UTBVTXRUUVZXQQ-MRVPVSSYSA-N -2 3 288.256 -0.579 20 30 CBEDHL C=CCOC[C@H]([N-]S(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC000515380773 373786650 /nfs/dbraw/zinc/78/66/50/373786650.db2.gz GYCBVWQAWIAJNS-VIFPVBQESA-N -2 3 290.297 -0.250 20 30 CBEDHL C=C(C)COCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000163489448 544477999 /nfs/dbraw/zinc/47/79/99/544477999.db2.gz ABPBGANHPKGNKW-UHFFFAOYSA-N -2 3 289.313 -0.021 20 30 CBEDHL N#Cc1ccc([O-])c(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000748001747 582287152 /nfs/dbraw/zinc/28/71/52/582287152.db2.gz DSRLNOBNLYZXNY-UHFFFAOYSA-N -2 3 274.236 -0.246 20 30 CBEDHL O=c1[n-][n-]c(=O)n1N=CCN1C(=O)c2ccccc2C1=O ZINC000814231329 582456225 /nfs/dbraw/zinc/45/62/25/582456225.db2.gz UIFYFDGWIXTXMX-UHFFFAOYSA-N -2 3 287.235 -0.181 20 30 CBEDHL Cc1ncc(CO)c(C=NNCCC(=O)[O-])c1[O-] ZINC000821190260 582595732 /nfs/dbraw/zinc/59/57/32/582595732.db2.gz SDXMQBRWBYYZEF-UHFFFAOYSA-N -2 3 253.258 -0.014 20 30 CBEDHL O=C1CN(N=Cc2cc(-c3nnn[n-]3)cs2)C(=O)[N-]1 ZINC000823536288 582672824 /nfs/dbraw/zinc/67/28/24/582672824.db2.gz ZJWIMIOWVQYRTR-UHFFFAOYSA-N -2 3 277.269 -0.186 20 30 CBEDHL N#CC(C(=O)NC1CC1)=C([O-])c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826379437 582769857 /nfs/dbraw/zinc/76/98/57/582769857.db2.gz RNCZUMBROLQCAF-MRVPVSSYSA-N -2 3 285.267 -0.204 20 30 CBEDHL N#CC(C(=O)NC1CC1)=C([O-])c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826379437 582769858 /nfs/dbraw/zinc/76/98/58/582769858.db2.gz RNCZUMBROLQCAF-MRVPVSSYSA-N -2 3 285.267 -0.204 20 30 CBEDHL C=CCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694147887 605210964 /nfs/dbraw/zinc/21/09/64/605210964.db2.gz HSISHHJFFIBECQ-UHFFFAOYSA-N -2 3 288.281 -0.442 20 30 CBEDHL C=CCn1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)nn1 ZINC001149283756 814980834 /nfs/dbraw/zinc/98/08/34/814980834.db2.gz FTYOFVIBFONJJF-UHFFFAOYSA-N -2 3 276.256 -0.405 20 30 CBEDHL N#Cc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1[O-] ZINC001116735373 812305892 /nfs/dbraw/zinc/30/58/92/812305892.db2.gz VYIFIUZDXSNWKQ-UHFFFAOYSA-N -2 3 260.209 -0.540 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccnc1CC(=O)[O-] ZINC001160176440 815611492 /nfs/dbraw/zinc/61/14/92/815611492.db2.gz RVJALOAADPVPON-RCOVLWMOSA-N -2 3 266.257 -0.248 20 30 CBEDHL C[C@H]1CN([O-])C(=O)[C@H]1Nc1cncc(C(=O)[O-])n1 ZINC001171364062 820359635 /nfs/dbraw/zinc/35/96/35/820359635.db2.gz VXDYPMUAHCWWFT-XNCJUZBTSA-N -2 3 252.230 -0.177 20 30 CBEDHL C[C@@H](C#N)S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001193173853 824012537 /nfs/dbraw/zinc/01/25/37/824012537.db2.gz VVOLIGDEDLBYNA-ZETCQYMHSA-N -2 3 270.247 -0.224 20 30 CBEDHL N#Cc1cc(NC(=O)[C@@H](N)Cc2nnn[n-]2)c([O-])cc1F ZINC001219068075 824654426 /nfs/dbraw/zinc/65/44/26/824654426.db2.gz GOMWUTWMARZGKH-ZETCQYMHSA-N -2 3 291.246 -0.575 20 30 CBEDHL N#Cc1cc(NC(=O)[C@@H](N)Cc2nn[n-]n2)c([O-])cc1F ZINC001219068075 824654429 /nfs/dbraw/zinc/65/44/29/824654429.db2.gz GOMWUTWMARZGKH-ZETCQYMHSA-N -2 3 291.246 -0.575 20 30 CBEDHL O=C(N[C@H]1CCCN([O-])C1=O)c1c[n-]n2c1nccc2=O ZINC001329916889 886275699 /nfs/dbraw/zinc/27/56/99/886275699.db2.gz XLEPIVYRMZAQGQ-QMMMGPOBSA-N -2 3 291.267 -0.867 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])s1 ZINC000230327353 352272917 /nfs/dbraw/zinc/27/29/17/352272917.db2.gz NCKNQJIAEQPCHD-ZETCQYMHSA-N -2 3 290.322 -0.266 20 30 CBEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-] ZINC000548214771 283908817 /nfs/dbraw/zinc/90/88/17/283908817.db2.gz UTJMNZKJEUVPJH-QMMMGPOBSA-N -2 3 288.256 -0.579 20 30 CBEDHL C#CCO[N-]C(=O)CC(C)CC(=O)[N-]OCC#C ZINC000291272332 220309409 /nfs/dbraw/zinc/30/94/09/220309409.db2.gz NWTWLYRLAJMWIA-UHFFFAOYSA-N -2 3 252.270 -0.235 20 30 CBEDHL N#CC1(CS(=O)(=O)[N-]C[C@H](O)C(=O)[O-])CCCC1 ZINC000548218990 334146755 /nfs/dbraw/zinc/14/67/55/334146755.db2.gz TZBNBFWPJAQKFP-QMMMGPOBSA-N -2 3 276.314 -0.565 20 30 CBEDHL CCCN(C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000736472888 582208300 /nfs/dbraw/zinc/20/83/00/582208300.db2.gz VOLPBYDQAUZWQF-UHFFFAOYSA-N -2 3 289.303 -0.258 20 30 CBEDHL O=C([O-])c1cc(C=NNC2=NC(=O)C(=O)[N-]2)ccc1O ZINC000777442658 582356622 /nfs/dbraw/zinc/35/66/22/582356622.db2.gz ABMKIXGZSOKXMN-UHFFFAOYSA-N -2 3 276.208 -0.974 20 30 CBEDHL COc1cccc([N-]N=C2C(=O)[N-]C(=O)NC2=O)n1 ZINC000814227195 582456228 /nfs/dbraw/zinc/45/62/28/582456228.db2.gz RYFXLKBAVFSVCN-UHFFFAOYSA-N -2 3 263.213 -0.776 20 30 CBEDHL O=c1[n-][n-]c(=O)n1N=Cc1cnc(N2CCOCC2)s1 ZINC000814234003 582456273 /nfs/dbraw/zinc/45/62/73/582456273.db2.gz OKBQMGYGDTUBCS-UHFFFAOYSA-N -2 3 296.312 -0.135 20 30 CBEDHL C=CCn1c(=O)[n-]nc1SCC(=O)NCC(=O)[O-] ZINC000819719979 582538657 /nfs/dbraw/zinc/53/86/57/582538657.db2.gz CHTNPOHSGULYQL-UHFFFAOYSA-N -2 3 272.286 -0.537 20 30 CBEDHL O=C(N[C@@H]1CCCN([O-])C1=O)c1ncccc1[O-] ZINC000820471491 582570115 /nfs/dbraw/zinc/57/01/15/582570115.db2.gz XKIUPAMHCXXHRQ-SSDOTTSWSA-N -2 3 251.242 -0.103 20 30 CBEDHL C#CCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833365977 583064168 /nfs/dbraw/zinc/06/41/68/583064168.db2.gz AAVANYMUPDBKRY-UHFFFAOYSA-N -2 3 273.266 -0.094 20 30 CBEDHL C=C(C)CO[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000846537234 583375574 /nfs/dbraw/zinc/37/55/74/583375574.db2.gz IXKZQHLTVADVOM-UHFFFAOYSA-N -2 3 288.329 -0.678 20 30 CBEDHL Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC001159324426 815569941 /nfs/dbraw/zinc/56/99/41/815569941.db2.gz INDWSSVSHNGKOR-MRVPVSSYSA-N -2 3 276.252 -0.313 20 30 CBEDHL Cn1[n-]c(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1=O ZINC001261743264 826571045 /nfs/dbraw/zinc/57/10/45/826571045.db2.gz VBVMXMGVCVATAX-ZCFIWIBFSA-N -2 3 254.246 -0.764 20 30 CBEDHL N#Cc1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])s1 ZINC000230325911 352273160 /nfs/dbraw/zinc/27/31/60/352273160.db2.gz SGRXMVRWJPUPIQ-UHFFFAOYSA-N -2 3 290.322 -0.001 20 30 CBEDHL N#CC1(CS(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])CCCCC1 ZINC000573935815 334979086 /nfs/dbraw/zinc/97/90/86/334979086.db2.gz QQYPECUJVRRBAA-SECBINFHSA-N -2 3 290.341 -0.175 20 30 CBEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-] ZINC000579304359 354967027 /nfs/dbraw/zinc/96/70/27/354967027.db2.gz LYKJTLCCXZWIMW-QMMMGPOBSA-N -2 3 288.256 -0.579 20 30 CBEDHL C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C(=O)[O-] ZINC000593250758 355198281 /nfs/dbraw/zinc/19/82/81/355198281.db2.gz BAQBEHRQAKCZFW-YLWLKBPMSA-N -2 3 290.322 -0.268 20 30 CBEDHL C=CCOC[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000570329563 327583740 /nfs/dbraw/zinc/58/37/40/327583740.db2.gz QXIYZQOSSSPZSU-QMMMGPOBSA-N -2 3 289.313 -0.646 20 30 CBEDHL CC#CC[C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000542858441 333845865 /nfs/dbraw/zinc/84/58/65/333845865.db2.gz DCIDNIIKMFPOHP-ZETCQYMHSA-N -2 3 257.271 -0.445 20 30 CBEDHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)CCCCC#N ZINC000737574122 582243265 /nfs/dbraw/zinc/24/32/65/582243265.db2.gz LKCHCUNBJQJJHX-MRVPVSSYSA-N -2 3 292.313 -0.384 20 30 CBEDHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)CCCCC#N ZINC000737574123 582243278 /nfs/dbraw/zinc/24/32/78/582243278.db2.gz LKCHCUNBJQJJHX-QMMMGPOBSA-N -2 3 292.313 -0.384 20 30 CBEDHL N#Cc1[n-]c(NC(=O)CCn2ccnc2)nc1-c1nn[n-]n1 ZINC000737704657 582247620 /nfs/dbraw/zinc/24/76/20/582247620.db2.gz INFFPMOWMLPJHL-UHFFFAOYSA-N -2 3 298.270 -0.313 20 30 CBEDHL O=c1nc(NN=Cc2ccc([O-])cn2)nc2[nH][n-]cc1-2 ZINC000755703029 582302183 /nfs/dbraw/zinc/30/21/83/582302183.db2.gz DRHSVFHIGZTLNT-UHFFFAOYSA-N -2 3 271.240 -0.021 20 30 CBEDHL O=C1N=C(NN=Cc2cccc(Cl)c2[O-])[N-]C1=O ZINC000765594358 582328398 /nfs/dbraw/zinc/32/83/98/582328398.db2.gz PMKBEXPFOKUBFK-UHFFFAOYSA-N -2 3 266.644 -0.019 20 30 CBEDHL COC(=O)c1ccc([O-])c(C=NNC2=NC(=O)C(=O)[N-]2)c1 ZINC000765595518 582328479 /nfs/dbraw/zinc/32/84/79/582328479.db2.gz MJEASGCMIUIVJR-UHFFFAOYSA-N -2 3 290.235 -0.885 20 30 CBEDHL NS(=O)(=O)c1ccc(C=Nn2c(=O)[n-][n-]c2=O)cc1 ZINC000814231945 582456257 /nfs/dbraw/zinc/45/62/57/582456257.db2.gz RMVHTOZITJUFCE-UHFFFAOYSA-N -2 3 283.269 -0.781 20 30 CBEDHL O=C(N[C@@H]1CCN([O-])C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816697058 582481343 /nfs/dbraw/zinc/48/13/43/582481343.db2.gz PUVVWBWGJOKZNO-ZCFIWIBFSA-N -2 3 282.212 -0.585 20 30 CBEDHL CNC(=O)C(C#N)=C([O-])c1cc(-c2nnn[n-]2)cs1 ZINC000821630119 582613706 /nfs/dbraw/zinc/61/37/06/582613706.db2.gz MZIYSMKPFXRRRF-LURJTMIESA-N -2 3 276.281 -0.003 20 30 CBEDHL CNC(=O)C(C#N)=C([O-])c1cc(-c2nn[n-]n2)cs1 ZINC000821630119 582613708 /nfs/dbraw/zinc/61/37/08/582613708.db2.gz MZIYSMKPFXRRRF-LURJTMIESA-N -2 3 276.281 -0.003 20 30 CBEDHL C=CCn1c(=O)[n-]nc1SCC(=O)NCCC(=O)[O-] ZINC000825711101 582744681 /nfs/dbraw/zinc/74/46/81/582744681.db2.gz OPOQYPYHEDJJHT-UHFFFAOYSA-N -2 3 286.313 -0.147 20 30 CBEDHL C=CC[C@@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000830081668 582919341 /nfs/dbraw/zinc/91/93/41/582919341.db2.gz UTARMSXTWPTOQC-SSDOTTSWSA-N -2 3 259.287 -0.272 20 30 CBEDHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[O-] ZINC000843042971 583198388 /nfs/dbraw/zinc/19/83/88/583198388.db2.gz CQOQSNBXBIHAOH-UHFFFAOYSA-N -2 3 266.225 -0.252 20 30 CBEDHL C=CCCO[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000856032778 583653409 /nfs/dbraw/zinc/65/34/09/583653409.db2.gz QHPUKDZDTHBWTO-UHFFFAOYSA-N -2 3 288.329 -0.678 20 30 CBEDHL