smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003412951 181016640 /nfs/dbraw/zinc/01/66/40/181016640.db2.gz BCWLMIVSEHEFHQ-UHFFFAOYSA-N -1 0 305.355 2.697 50 30 DFEARM COc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2[O-])c([N+](=O)[O-])c1 ZINC000003896272 181053477 /nfs/dbraw/zinc/05/34/77/181053477.db2.gz HNUCJDIHELZJCB-OVCLIPMQSA-N -1 0 317.257 2.968 50 30 DFEARM N#Cc1ccc([C@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000004085638 181071465 /nfs/dbraw/zinc/07/14/65/181071465.db2.gz OUCJFSOWHZMGPD-INIZCTEOSA-N -1 0 306.321 2.730 50 30 DFEARM C=CCNC(=S)N/N=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000004510613 181117719 /nfs/dbraw/zinc/11/77/19/181117719.db2.gz KETFSPZZZXUMQB-GIDUJCDVSA-N -1 0 304.202 2.683 50 30 DFEARM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000005257270 181223216 /nfs/dbraw/zinc/22/32/16/181223216.db2.gz ZNPHTRJESGYDMM-LICLKQGHSA-N -1 0 300.314 2.848 50 30 DFEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC000091690208 193090991 /nfs/dbraw/zinc/09/09/91/193090991.db2.gz WBSYCNOWTUWBPM-QGZVFWFLSA-N -1 0 321.348 2.717 50 30 DFEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccsc2)C1 ZINC000091849205 193117338 /nfs/dbraw/zinc/11/73/38/193117338.db2.gz AEVASCDSXRDOIV-INIZCTEOSA-N -1 0 307.415 2.950 50 30 DFEARM COc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000064611668 184301842 /nfs/dbraw/zinc/30/18/42/184301842.db2.gz CPHWQXSWOGNBEI-UHFFFAOYSA-N -1 0 316.357 2.931 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Cl)cc(Cl)c1 ZINC000103502611 256576165 /nfs/dbraw/zinc/57/61/65/256576165.db2.gz UUSJZABNFCVKAS-GFCCVEGCSA-N -1 0 311.168 2.938 50 30 DFEARM O=C([O-])C(=O)/C(=C/c1cccnc1)c1ccc2ccccc2n1 ZINC000057826001 425897062 /nfs/dbraw/zinc/89/70/62/425897062.db2.gz OHHQTYVHJAJVII-GXDHUFHOSA-N -1 0 304.305 2.824 50 30 DFEARM CS(=O)(=O)[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000067600064 425911673 /nfs/dbraw/zinc/91/16/73/425911673.db2.gz ZXGLJFWAUNADOB-UHFFFAOYSA-N -1 0 307.293 2.653 50 30 DFEARM CCc1ccnc(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)c1 ZINC000000148371 425540754 /nfs/dbraw/zinc/54/07/54/425540754.db2.gz GJTRUSPGDTVEHA-UHFFFAOYSA-N -1 0 319.386 2.667 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccccc2)cc1 ZINC000000352102 425554512 /nfs/dbraw/zinc/55/45/12/425554512.db2.gz PAEAZBRZRLRWIS-UHFFFAOYSA-N -1 0 305.355 2.719 50 30 DFEARM Cc1ccccc1CN[C@H](c1ccc(C#N)cc1)[P@@](=O)([O-])O ZINC000012949527 425745058 /nfs/dbraw/zinc/74/50/58/425745058.db2.gz ATJLENOAAIVEGN-INIZCTEOSA-N -1 0 316.297 2.833 50 30 DFEARM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc2c(c1)OCCO2 ZINC000031732993 425836349 /nfs/dbraw/zinc/83/63/49/425836349.db2.gz XFXJBBVNYGAXLF-DAFODLJHSA-N -1 0 308.293 2.593 50 30 DFEARM O=C1C=C([O-])C(=CC=CC=Cc2c(O)cc(O)cc2O)C(=O)C1 ZINC000104047059 425956925 /nfs/dbraw/zinc/95/69/25/425956925.db2.gz DVRDGJBDBGWKTN-UVRBICKNSA-N -1 0 314.293 2.766 50 30 DFEARM COc1ccsc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000095987682 426383627 /nfs/dbraw/zinc/38/36/27/426383627.db2.gz VOJCUGFWHYLSFH-UHFFFAOYSA-N -1 0 308.384 2.738 50 30 DFEARM O=C(CCCc1cccs1)[N-]S(=O)(=O)Cc1ccon1 ZINC000096446463 426427733 /nfs/dbraw/zinc/42/77/33/426427733.db2.gz JMUWMWNYTCITEY-UHFFFAOYSA-N -1 0 314.388 2.545 50 30 DFEARM Cc1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C#N)c2)c1Cl ZINC000097049137 426443858 /nfs/dbraw/zinc/44/38/58/426443858.db2.gz LQKHWIVYBFFAID-UHFFFAOYSA-N -1 0 323.761 2.542 50 30 DFEARM CC(=O)Nc1ccc(N=Cc2c([O-])c3ccccc3oc2=O)cc1 ZINC000100916468 426483529 /nfs/dbraw/zinc/48/35/29/426483529.db2.gz MCUXGCZVQOSNKU-GDNBJRDFSA-N -1 0 322.320 2.743 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1cc2ccc(C)cc2nc1C ZINC000102017657 426487574 /nfs/dbraw/zinc/48/75/74/426487574.db2.gz KSORVRLCFLTWMO-OAHLLOKOSA-N -1 0 309.369 2.700 50 30 DFEARM COc1ccc(-c2nc(-c3ccccn3)[n-]c(=O)c2C#N)cc1 ZINC000004002682 277860955 /nfs/dbraw/zinc/86/09/55/277860955.db2.gz MUZLSCFLLAGLPF-UHFFFAOYSA-N -1 0 304.309 2.791 50 30 DFEARM N#Cc1c(=O)[n-]c2c(c1-c1cccnc1)COc1ccccc1-2 ZINC000013657825 303174138 /nfs/dbraw/zinc/17/41/38/303174138.db2.gz HMFMDZNXKPMHFS-UHFFFAOYSA-N -1 0 301.305 2.868 50 30 DFEARM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000097236997 323209494 /nfs/dbraw/zinc/20/94/94/323209494.db2.gz WSPFUXFVJZEZPD-SNVBAGLBSA-N -1 0 311.297 2.663 50 30 DFEARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccco1 ZINC000048677511 523347637 /nfs/dbraw/zinc/34/76/37/523347637.db2.gz WLJNYXOZPFXTAV-UHFFFAOYSA-N -1 0 322.386 2.546 50 30 DFEARM COCCOc1ccccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000066504302 524058202 /nfs/dbraw/zinc/05/82/02/524058202.db2.gz AXWZNPPQJGGISF-CYBMUJFWSA-N -1 0 316.382 2.967 50 30 DFEARM N#Cc1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCC2 ZINC000012363314 190637195 /nfs/dbraw/zinc/63/71/95/190637195.db2.gz QVCOOENEXPULTC-BQYQJAHWSA-N -1 0 304.371 2.858 50 30 DFEARM CC(C)Oc1ccc(C#N)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000170627454 197796016 /nfs/dbraw/zinc/79/60/16/197796016.db2.gz ZLZSVSCTQQDNHW-UHFFFAOYSA-N -1 0 304.346 2.785 50 30 DFEARM C[C@H](C(=O)[O-])c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 ZINC000003209662 180991654 /nfs/dbraw/zinc/99/16/54/180991654.db2.gz XAFFTECDEYKDQJ-LBPRGKRZSA-N -1 0 322.364 2.591 50 30 DFEARM CC(C)n1cc(C(=O)c2cc(Cl)ccc2[O-])cc(C#N)c1=O ZINC000005860944 181290593 /nfs/dbraw/zinc/29/05/93/181290593.db2.gz IOZQDYVKDHHCMU-UHFFFAOYSA-N -1 0 316.744 2.891 50 30 DFEARM NC1=C(c2ccccc2)C(=O)CN1c1cccc(C=CC(=O)[O-])c1 ZINC000006190229 181318635 /nfs/dbraw/zinc/31/86/35/181318635.db2.gz HUQZCQXXHONELK-KTKRTIGZSA-N -1 0 320.348 2.501 50 30 DFEARM Cc1cccc2c3nnc(NN=Cc4ccccn4)[n-]c-3nc21 ZINC000006207764 181320018 /nfs/dbraw/zinc/32/00/18/181320018.db2.gz DHTZRTRGDMTQNS-GIJQJNRQSA-N -1 0 303.329 2.656 50 30 DFEARM COc1ccc(C(=O)C=C(N)C(Cl)(Cl)Cl)c([O-])c1 ZINC000006621609 181361291 /nfs/dbraw/zinc/36/12/91/181361291.db2.gz FHQBXNNOHMHTAB-YHYXMXQVSA-N -1 0 310.564 2.796 50 30 DFEARM C=CCC1(C(=O)[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCC1 ZINC000170611794 399011561 /nfs/dbraw/zinc/01/15/61/399011561.db2.gz IMCDQTNGYPFRRJ-UHFFFAOYSA-N -1 0 324.446 2.653 50 30 DFEARM CCCn1c([O-])c(C(=O)c2ccc(C)cc2)c(C)c(C#N)c1=O ZINC000016752492 182060211 /nfs/dbraw/zinc/06/02/11/182060211.db2.gz DYVBCFQJDRGMKL-UHFFFAOYSA-N -1 0 310.353 2.683 50 30 DFEARM Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCOc1cccc(C)c1 ZINC000039853933 183022368 /nfs/dbraw/zinc/02/23/68/183022368.db2.gz LPECCQYSZHGMHK-ZPHPHTNESA-N -1 0 310.353 2.907 50 30 DFEARM CCCCNC(=O)N=S(=O)([O-])c1cccc(C(F)(F)F)c1 ZINC000040116207 183036764 /nfs/dbraw/zinc/03/67/64/183036764.db2.gz XBHPCJFSIXNYIH-UHFFFAOYSA-N -1 0 324.324 2.698 50 30 DFEARM COc1cc(/C=C/c2ccc(C#N)cn2)ccc1OCC(=O)[O-] ZINC000048326881 183644364 /nfs/dbraw/zinc/64/43/64/183644364.db2.gz JPJVJRHZWWGKRH-GORDUTHDSA-N -1 0 310.309 2.596 50 30 DFEARM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1OCC#N ZINC000058382306 184111299 /nfs/dbraw/zinc/11/12/99/184111299.db2.gz GWCGCTDVXKIWIR-HWKANZROSA-N -1 0 316.338 2.923 50 30 DFEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000078556456 542482167 /nfs/dbraw/zinc/48/21/67/542482167.db2.gz MIUYQDAGBBZEHD-YVMONPNESA-N -1 0 317.388 2.536 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C#N ZINC000100005578 256559721 /nfs/dbraw/zinc/55/97/21/256559721.db2.gz CLQKOLMRHAMGIZ-CAPFRKAQSA-N -1 0 303.325 2.749 50 30 DFEARM C[C@H](Cc1cccs1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000076877669 257211098 /nfs/dbraw/zinc/21/10/98/257211098.db2.gz HKXBUZCMSNPMHH-LLVKDONJSA-N -1 0 316.448 2.614 50 30 DFEARM Cc1n[n-]c(=S)n(N=Cc2cc(Cl)ccc2Cl)c1=O ZINC000000121555 425537928 /nfs/dbraw/zinc/53/79/28/425537928.db2.gz OQLYXTXUVIJGNI-LHHJGKSTSA-N -1 0 315.185 2.798 50 30 DFEARM CCCCCCCCNC=C1C(=O)[N-]C(=O)N(CCCC)C1=O ZINC000002589097 425596927 /nfs/dbraw/zinc/59/69/27/425596927.db2.gz DTZDMWSDGPQYOG-YPKPFQOOSA-N -1 0 323.437 2.699 50 30 DFEARM N#Cc1ccc([C@@H](NCc2ccccc2)[P@](=O)([O-])O)cc1 ZINC000012997459 425744984 /nfs/dbraw/zinc/74/49/84/425744984.db2.gz JCFZIZYTCYSFRD-HNNXBMFYSA-N -1 0 302.270 2.524 50 30 DFEARM Cc1cccc2c1nc1[n-]c(NN=Cc3cccc(O)c3)nnc2-1 ZINC000015016446 425777711 /nfs/dbraw/zinc/77/77/11/425777711.db2.gz RZKVRLCGFZJULL-GIJQJNRQSA-N -1 0 318.340 2.966 50 30 DFEARM CC(C)(C)c1csc(N=NCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000020131251 425792301 /nfs/dbraw/zinc/79/23/01/425792301.db2.gz COWNZIQIFTVOPM-VIZOYTHASA-N -1 0 320.374 3.500 50 30 DFEARM C[C@](CC(=O)Nc1sccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000013255790 425751253 /nfs/dbraw/zinc/75/12/53/425751253.db2.gz OVYCTMMBLICGEC-MRXNPFEDSA-N -1 0 314.366 2.991 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(N=[N+]=[N-])n2)cc1 ZINC000013635095 425756574 /nfs/dbraw/zinc/75/65/74/425756574.db2.gz IOHSQDGDLIHCMG-UHFFFAOYSA-N -1 0 304.335 2.836 50 30 DFEARM N#Cc1c(OCC(=O)[O-])nc(-c2ccccc2)c2c1CCCC2 ZINC000013690749 425759131 /nfs/dbraw/zinc/75/91/31/425759131.db2.gz XYNRUIUMJOJFEC-UHFFFAOYSA-N -1 0 308.337 2.962 50 30 DFEARM Cc1cc(C)n(-c2ccc(S(=O)(=O)[N-]C(=O)C(C)C)cc2)n1 ZINC000048459673 425875578 /nfs/dbraw/zinc/87/55/78/425875578.db2.gz ISXJRAGSTLZZEI-UHFFFAOYSA-N -1 0 321.402 2.790 50 30 DFEARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135864 425878519 /nfs/dbraw/zinc/87/85/19/425878519.db2.gz RDEGBJHKDIOWIQ-ZETCQYMHSA-N -1 0 321.196 2.535 50 30 DFEARM Cc1ccc(-c2ocnc2C(=O)[N-]S(=O)(=O)CC2CC2)cc1 ZINC000096442109 426425544 /nfs/dbraw/zinc/42/55/44/426425544.db2.gz KBPWPMRSSHFYPS-UHFFFAOYSA-N -1 0 320.370 2.694 50 30 DFEARM COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1 ZINC000097073513 426445197 /nfs/dbraw/zinc/44/51/97/426445197.db2.gz NBXUQQIABHGHSO-HYXAFXHYSA-N -1 0 310.309 2.839 50 30 DFEARM O=c1[nH][nH]cc1CCCN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000100241913 426481751 /nfs/dbraw/zinc/48/17/51/426481751.db2.gz QWAVLXQSJRZFHH-NGZXACEBSA-N -1 0 314.172 2.630 50 30 DFEARM COc1cccc(C=CC([O-])=C2C(=O)c3ccccc3C2=O)c1 ZINC000100309933 426481970 /nfs/dbraw/zinc/48/19/70/426481970.db2.gz SUZANAYKPGDCFS-MDZDMXLPSA-N -1 0 306.317 2.973 50 30 DFEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccccc2C)C(=O)CC1(C)C ZINC000100673108 426483039 /nfs/dbraw/zinc/48/30/39/426483039.db2.gz UUUORTXBIWGDLY-KUGGDMIFSA-N -1 0 315.369 2.648 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(F)c2)cc1 ZINC000100684213 426483222 /nfs/dbraw/zinc/48/32/22/426483222.db2.gz UHWVJKCMDPKZAC-HNNXBMFYSA-N -1 0 312.300 2.686 50 30 DFEARM CCOC(=O)C(=N[O-])c1c(C)nn(-c2cccc(Cl)c2)c1C ZINC000254352174 427220180 /nfs/dbraw/zinc/22/01/80/427220180.db2.gz YQHWSMFMFXMOAC-UHFFFAOYSA-N -1 0 321.764 2.884 50 30 DFEARM N#Cc1nc(NC(=O)C[C@@H]2CCCc3ccccc32)[n-]c1C#N ZINC000170994799 303216071 /nfs/dbraw/zinc/21/60/71/303216071.db2.gz PEDPBFIMDBCDJP-LBPRGKRZSA-N -1 0 305.341 2.602 50 30 DFEARM O=[N+]([O-])c1ccc([O-])c(C=NNc2ccccc2[N+](=O)[O-])c1 ZINC000033836737 304803831 /nfs/dbraw/zinc/80/38/31/304803831.db2.gz SCLSIWDYYARRJF-RIYZIHGNSA-N -1 0 302.246 2.655 50 30 DFEARM COc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)cc1C ZINC000058280610 524996173 /nfs/dbraw/zinc/99/61/73/524996173.db2.gz QHXNGMXVMHVHKE-UHFFFAOYSA-N -1 0 323.370 2.875 50 30 DFEARM O=C([O-])c1ccc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000096889700 185390453 /nfs/dbraw/zinc/39/04/53/185390453.db2.gz FTYOUNWWAUZCCW-CLTKARDFSA-N -1 0 323.304 2.612 50 30 DFEARM CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000095445030 185367215 /nfs/dbraw/zinc/36/72/15/185367215.db2.gz VRDDBCGRKYLGLD-OQFOIZHKSA-N -1 0 308.334 2.985 50 30 DFEARM Cc1nc(CC(=O)[N-]S(=O)(=O)[C@@H](C)CC(C)C)cs1 ZINC000073826525 398703306 /nfs/dbraw/zinc/70/33/06/398703306.db2.gz CRQACQOXSXNTAS-VIFPVBQESA-N -1 0 304.437 2.715 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)cc2)C(=O)O1 ZINC000003326346 181005603 /nfs/dbraw/zinc/00/56/03/181005603.db2.gz XFJTYXVVQLNYIB-GBXSZLQWSA-N -1 0 322.263 2.516 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(F)(F)F)c2)C(=O)O1 ZINC000003543703 181032093 /nfs/dbraw/zinc/03/20/93/181032093.db2.gz KVAASMIHSKWFIU-GJBLVYBDSA-N -1 0 324.254 2.934 50 30 DFEARM Oc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000003898147 181054290 /nfs/dbraw/zinc/05/42/90/181054290.db2.gz IEPMTBDTINWESR-RQZCQDPDSA-N -1 0 304.313 2.658 50 30 DFEARM O=C([O-])c1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000004890687 181168693 /nfs/dbraw/zinc/16/86/93/181168693.db2.gz KYBFUYQQXLMPPJ-XSFVSMFZSA-N -1 0 323.396 2.537 50 30 DFEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)ccc2OC)C1 ZINC000091690209 193091823 /nfs/dbraw/zinc/09/18/23/193091823.db2.gz WBSYCNOWTUWBPM-KRWDZBQOSA-N -1 0 321.348 2.717 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(C)C)cc2)C(=O)O1 ZINC000044013270 183392857 /nfs/dbraw/zinc/39/28/57/183392857.db2.gz IQCGZCHTXXVORT-RCMYXZNBSA-N -1 0 314.337 2.702 50 30 DFEARM Cc1ccc(-c2ncc(C(=O)[N-]S(C)(=O)=O)s2)c(C)c1 ZINC000061067124 184161069 /nfs/dbraw/zinc/16/10/69/184161069.db2.gz FXMWTJCYLVPONM-UHFFFAOYSA-N -1 0 310.400 2.691 50 30 DFEARM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CCc2ccco2)cc1 ZINC000048508328 256536163 /nfs/dbraw/zinc/53/61/63/256536163.db2.gz XFRMXMUCIYJBRW-UHFFFAOYSA-N -1 0 318.354 2.570 50 30 DFEARM COc1cccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000100005690 256559719 /nfs/dbraw/zinc/55/97/19/256559719.db2.gz VDKKHGZGMCUAPW-KNTRCKAVSA-N -1 0 308.341 2.886 50 30 DFEARM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cocn1 ZINC000105758212 256581561 /nfs/dbraw/zinc/58/15/61/256581561.db2.gz DJLMNNQHVTZVSI-SNVBAGLBSA-N -1 0 324.123 2.943 50 30 DFEARM Cc1ccc(OCC[N+]2c3ccc(C)cc3C(=N[O-])C2=O)cc1 ZINC000343516897 257262015 /nfs/dbraw/zinc/26/20/15/257262015.db2.gz IMHBCOGCDJKACR-UHFFFAOYSA-N -1 0 310.353 2.873 50 30 DFEARM C=CC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000328598296 257265305 /nfs/dbraw/zinc/26/53/05/257265305.db2.gz KZBGPCOBXLZUGN-RNFRBKRXSA-N -1 0 318.217 2.613 50 30 DFEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CCCC1 ZINC000054488178 425890451 /nfs/dbraw/zinc/89/04/51/425890451.db2.gz LQZLPLMOXJEOIE-UHFFFAOYSA-N -1 0 312.347 2.739 50 30 DFEARM CCC#CCn1c2cc(C(=O)[O-])cnc2n(C(CC)CC)c1=O ZINC000055340788 425893106 /nfs/dbraw/zinc/89/31/06/425893106.db2.gz IFODEDNGFIUQKF-UHFFFAOYSA-N -1 0 315.373 2.671 50 30 DFEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2ccc(F)cc2)c1 ZINC000000235217 425546807 /nfs/dbraw/zinc/54/68/07/425546807.db2.gz UCSHAQBIRQMFAM-RQZCQDPDSA-N -1 0 317.345 2.844 50 30 DFEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000000612887 425570605 /nfs/dbraw/zinc/57/06/05/425570605.db2.gz JZUWMRHTBHLOON-UHFFFAOYSA-N -1 0 305.355 2.779 50 30 DFEARM Cc1n[n-]c(=S)n(N=Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000008228436 425664839 /nfs/dbraw/zinc/66/48/39/425664839.db2.gz WRTZRXANTLWKQJ-LHHJGKSTSA-N -1 0 315.185 2.798 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000012413016 425725337 /nfs/dbraw/zinc/72/53/37/425725337.db2.gz ZUPWRAGGXBPJEB-SDXDJHTJSA-N -1 0 323.312 2.785 50 30 DFEARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccco2)C1 ZINC000012409821 425725591 /nfs/dbraw/zinc/72/55/91/425725591.db2.gz YHUYNCCQJRQCJQ-LBPRGKRZSA-N -1 0 300.318 2.885 50 30 DFEARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000017031344 425787311 /nfs/dbraw/zinc/78/73/11/425787311.db2.gz KSHUBCHOWSZHOE-SECBINFHSA-N -1 0 306.387 2.938 50 30 DFEARM O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418261 425875525 /nfs/dbraw/zinc/87/55/25/425875525.db2.gz ODEQUMYEIZLLLN-NSHDSACASA-N -1 0 317.794 2.944 50 30 DFEARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135863 425878650 /nfs/dbraw/zinc/87/86/50/425878650.db2.gz RDEGBJHKDIOWIQ-SSDOTTSWSA-N -1 0 321.196 2.535 50 30 DFEARM O=C(CC1CCCCC1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000071892479 426000119 /nfs/dbraw/zinc/00/01/19/426000119.db2.gz KPZSYQJWEBUPFQ-CYBMUJFWSA-N -1 0 303.424 2.812 50 30 DFEARM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(F)cc(F)c1 ZINC000103503918 425951860 /nfs/dbraw/zinc/95/18/60/425951860.db2.gz YAPSXIJJKVJCJO-CQSZACIVSA-N -1 0 306.312 2.736 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(C)C)cc2)C(=O)O1 ZINC000104300774 425962925 /nfs/dbraw/zinc/96/29/25/425962925.db2.gz IQCGZCHTXXVORT-UXHZXRBQSA-N -1 0 314.337 2.702 50 30 DFEARM CC1CCC(NC(=O)c2ccc(CC#N)cc2)(C(=O)[O-])CC1 ZINC000170592074 426139329 /nfs/dbraw/zinc/13/93/29/426139329.db2.gz UAUHTHQECNPOQL-UHFFFAOYSA-N -1 0 300.358 2.516 50 30 DFEARM CCN(CC)S(=O)(=O)[N-]C(=O)CCc1cc(Cl)cs1 ZINC000096413646 426416624 /nfs/dbraw/zinc/41/66/24/426416624.db2.gz GPEUGYZYRNSMII-UHFFFAOYSA-N -1 0 324.855 2.877 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000096416195 426418664 /nfs/dbraw/zinc/41/86/64/426418664.db2.gz YIQFYVCWYCUVOY-UHFFFAOYSA-N -1 0 321.402 2.534 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1cc(Br)ccc1C ZINC000096442347 426426718 /nfs/dbraw/zinc/42/67/18/426426718.db2.gz LOQKLZUQDJVVKI-UHFFFAOYSA-N -1 0 320.208 2.802 50 30 DFEARM CCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccc2[nH]ccc2c1 ZINC000096493307 426436306 /nfs/dbraw/zinc/43/63/06/426436306.db2.gz JFWPMUJXBRVSOF-UHFFFAOYSA-N -1 0 323.418 2.644 50 30 DFEARM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000102051127 426487880 /nfs/dbraw/zinc/48/78/80/426487880.db2.gz CXPIYXFYTITISA-INIZCTEOSA-N -1 0 321.380 2.904 50 30 DFEARM Cn1cc(/C=C\C(=O)c2ccc(SCC(=O)[O-])cc2F)cn1 ZINC000098055966 426477264 /nfs/dbraw/zinc/47/72/64/426477264.db2.gz YBJLRNWNHDLDAH-DJWKRKHSSA-N -1 0 320.345 2.632 50 30 DFEARM Cc1ccc(C([O-])=C(C#N)C(=O)CCc2cnn(C)c2)c(C)c1 ZINC000101374052 426484157 /nfs/dbraw/zinc/48/41/57/426484157.db2.gz SMLZTOHAHWGMAS-MRXNPFEDSA-N -1 0 309.369 2.561 50 30 DFEARM Cc1cc([N+](=O)[O-])nn1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000008549410 301433621 /nfs/dbraw/zinc/43/36/21/301433621.db2.gz JLTCAGSMNQPHCF-LHHJGKSTSA-N -1 0 315.116 2.994 50 30 DFEARM COc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000009482403 335107927 /nfs/dbraw/zinc/10/79/27/335107927.db2.gz WFUGJHWNAVVKGT-LICLKQGHSA-N -1 0 311.366 2.950 50 30 DFEARM C=CCn1c2ccccc2c2nnc(SCCC(=O)[O-])nc21 ZINC000006702687 519264712 /nfs/dbraw/zinc/26/47/12/519264712.db2.gz GXVQALHNBHCSET-UHFFFAOYSA-N -1 0 314.370 2.732 50 30 DFEARM N#Cc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000014178949 526697039 /nfs/dbraw/zinc/69/70/39/526697039.db2.gz RSXLNBLPDOZAFD-RUDMXATFSA-N -1 0 307.305 2.918 50 30 DFEARM CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C/C(=O)[O-])sc2C1 ZINC000002745306 190616408 /nfs/dbraw/zinc/61/64/08/190616408.db2.gz KBEMPPDUIDFFHB-CYNONHLPSA-N -1 0 304.371 2.714 50 30 DFEARM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cscn2)c1Cl ZINC000097039137 185401555 /nfs/dbraw/zinc/40/15/55/185401555.db2.gz ONHSVPMDVWAIHY-UHFFFAOYSA-N -1 0 316.791 2.798 50 30 DFEARM Cc1nc(CC(=O)[N-]S(=O)(=O)[C@H](C)CC(C)C)cs1 ZINC000073826527 398703262 /nfs/dbraw/zinc/70/32/62/398703262.db2.gz CRQACQOXSXNTAS-SECBINFHSA-N -1 0 304.437 2.715 50 30 DFEARM CCc1c(C)sc([N-]C(=O)c2noc(C)c2[N+](=O)[O-])c1C#N ZINC000004937460 181175763 /nfs/dbraw/zinc/17/57/63/181175763.db2.gz ODVIFKQHQXBSFB-UHFFFAOYSA-N -1 0 320.330 2.948 50 30 DFEARM O=C([O-])C(C(=O)/C=C\c1cccc(O)c1)=C1SCCS1 ZINC000006093758 181311821 /nfs/dbraw/zinc/31/18/21/181311821.db2.gz SIOPLGHUMGMGDQ-PLNGDYQASA-N -1 0 308.380 2.751 50 30 DFEARM N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000006671795 181368590 /nfs/dbraw/zinc/36/85/90/181368590.db2.gz GSNBKABIXPEKSY-HNNXBMFYSA-N -1 0 311.297 2.574 50 30 DFEARM Cc1n[n-]c(=S)n(N=Cc2ccc(Cl)cc2Cl)c1=O ZINC000006685079 181370979 /nfs/dbraw/zinc/37/09/79/181370979.db2.gz ZLALAFHPOSAPAN-LHHJGKSTSA-N -1 0 315.185 2.798 50 30 DFEARM COc1ccc(C(=O)/C(=C/c2ccccc2)C(=O)C(=O)[O-])cc1 ZINC000013114374 181829351 /nfs/dbraw/zinc/82/93/51/181829351.db2.gz RBIMIPVZSKINTK-PTNGSMBKSA-N -1 0 310.305 2.615 50 30 DFEARM Cc1cccc(C=NNc2nnc(-c3ccccc3)c(=O)[n-]2)c1 ZINC000015923601 182024662 /nfs/dbraw/zinc/02/46/62/182024662.db2.gz CVVMGGDLCRBXPV-WOJGMQOQSA-N -1 0 305.341 2.999 50 30 DFEARM N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)[O-])CC1 ZINC000022699138 182331236 /nfs/dbraw/zinc/33/12/36/182331236.db2.gz KVJZBOJZKPJGHF-UHFFFAOYSA-N -1 0 303.343 2.576 50 30 DFEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(CC(C)C)cc1 ZINC000040116145 183036960 /nfs/dbraw/zinc/03/69/60/183036960.db2.gz LZWYOBWLHPTFMK-UHFFFAOYSA-N -1 0 312.435 2.878 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000096442342 256557057 /nfs/dbraw/zinc/55/70/57/256557057.db2.gz RNSJOMAZGRQFHH-ZJUUUORDSA-N -1 0 303.330 2.765 50 30 DFEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccc(C)cc2)C(=O)CC1(C)C ZINC000100319019 256562296 /nfs/dbraw/zinc/56/22/96/256562296.db2.gz YYVKYUJHAMWYSA-NRMKIYEFSA-N -1 0 315.369 2.648 50 30 DFEARM C[C@@H](Cc1cccs1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000076877666 257210956 /nfs/dbraw/zinc/21/09/56/257210956.db2.gz HKXBUZCMSNPMHH-NSHDSACASA-N -1 0 316.448 2.614 50 30 DFEARM O=C([O-])/C=C/C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000334161861 257262808 /nfs/dbraw/zinc/26/28/08/257262808.db2.gz GEMSVCICLYIIEN-MDZDMXLPSA-N -1 0 313.284 2.902 50 30 DFEARM COc1ccc(Cl)cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000102781568 425928426 /nfs/dbraw/zinc/92/84/26/425928426.db2.gz XGQZAHUHPBXTRE-SJDLMVEWSA-N -1 0 320.728 2.577 50 30 DFEARM O=C([O-])c1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1 ZINC000000232117 425546231 /nfs/dbraw/zinc/54/62/31/425546231.db2.gz UNZIMTSFEOSRMH-XMHGGMMESA-N -1 0 309.369 2.541 50 30 DFEARM O=C([O-])c1cccc(/N=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000000050041 425532016 /nfs/dbraw/zinc/53/20/16/425532016.db2.gz FPLLYXXSBMBERM-CPNJWEJPSA-N -1 0 310.353 2.972 50 30 DFEARM CC[C@@]1(C)Cc2c(C#N)c(NC(=O)CCC(=O)[O-])sc2CO1 ZINC000000530479 425566672 /nfs/dbraw/zinc/56/66/72/425566672.db2.gz FLHAQYLDRODBIJ-HNNXBMFYSA-N -1 0 322.386 2.664 50 30 DFEARM CCCCCSC(=N)N/N=C/c1cccc(C(=O)[O-])c1O ZINC000001781087 425586511 /nfs/dbraw/zinc/58/65/11/425586511.db2.gz LBVWOXPHJTXADR-CXUHLZMHSA-N -1 0 309.391 2.872 50 30 DFEARM CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000004149812 425616346 /nfs/dbraw/zinc/61/63/46/425616346.db2.gz CTEZIVZHEPGUNS-OAHLLOKOSA-N -1 0 312.300 2.710 50 30 DFEARM N#Cc1cccc([C@@H](NCc2ccc(F)cc2)[P@](=O)([O-])O)c1 ZINC000012997476 425745215 /nfs/dbraw/zinc/74/52/15/425745215.db2.gz WYGXMJPJYAAHET-HNNXBMFYSA-N -1 0 320.260 2.663 50 30 DFEARM CCOC(=O)c1sc([N-]C(=O)c2cc(C)no2)c(C#N)c1C ZINC000012422449 425728294 /nfs/dbraw/zinc/72/82/94/425728294.db2.gz KCUGVYUUUOTXRR-UHFFFAOYSA-N -1 0 319.342 2.654 50 30 DFEARM CCOC(=O)/C(=N\[O-])C1=NC2(CCCC2)Cc2ccccc21 ZINC000013532380 425755076 /nfs/dbraw/zinc/75/50/76/425755076.db2.gz SGTGJCSTOIKLIM-CYVLTUHYSA-N -1 0 300.358 2.738 50 30 DFEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000048616105 425876418 /nfs/dbraw/zinc/87/64/18/425876418.db2.gz JPHUDPKSTGKWHA-UHFFFAOYSA-N -1 0 322.292 2.530 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)cc1C ZINC000048474682 425875746 /nfs/dbraw/zinc/87/57/46/425875746.db2.gz CUBXKZPICZLSEJ-CYBMUJFWSA-N -1 0 311.403 2.908 50 30 DFEARM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000048601001 425876048 /nfs/dbraw/zinc/87/60/48/425876048.db2.gz ASHKMZUGFPPENA-UHFFFAOYSA-N -1 0 318.354 2.770 50 30 DFEARM N#CC(C(=O)NCc1ccco1)=C([O-])c1ccc(Cl)cc1 ZINC000103502282 425950663 /nfs/dbraw/zinc/95/06/63/425950663.db2.gz RGHPXWTUCSQANE-ZDUSSCGKSA-N -1 0 302.717 2.572 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c(Cl)c1 ZINC000076068423 426097546 /nfs/dbraw/zinc/09/75/46/426097546.db2.gz ZQZQCWNXMUWHCU-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM CC(C)(C(=O)[N-]S(C)(=O)=O)c1cccc(Br)c1 ZINC000096403223 426414971 /nfs/dbraw/zinc/41/49/71/426414971.db2.gz QCEIELJBFPECFC-UHFFFAOYSA-N -1 0 320.208 2.643 50 30 DFEARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000096433477 426423617 /nfs/dbraw/zinc/42/36/17/426423617.db2.gz LIFVFVGDDZQTEA-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000096442348 426427132 /nfs/dbraw/zinc/42/71/32/426427132.db2.gz CMVVBCHPDHLEJO-MWLCHTKSSA-N -1 0 303.330 2.765 50 30 DFEARM Cc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000097049135 426443558 /nfs/dbraw/zinc/44/35/58/426443558.db2.gz FYGPDIRUUJTLEC-CYBMUJFWSA-N -1 0 308.403 2.764 50 30 DFEARM COc1cccc2[nH]cc(CC(=O)Nc3cc(C#N)ccc3[O-])c21 ZINC000097048444 426444052 /nfs/dbraw/zinc/44/40/52/426444052.db2.gz NJMMBNJRXAIRQL-UHFFFAOYSA-N -1 0 321.336 2.935 50 30 DFEARM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000102051073 426487984 /nfs/dbraw/zinc/48/79/84/426487984.db2.gz GIXLBXLVIQLWOK-INIZCTEOSA-N -1 0 319.364 2.658 50 30 DFEARM COC(=O)c1ccc(NC=CC([O-])=C2C(=O)CCCC2=O)cc1 ZINC000100281644 426481916 /nfs/dbraw/zinc/48/19/16/426481916.db2.gz QAUBCCCQNLJDLD-KTKRTIGZSA-N -1 0 315.325 2.533 50 30 DFEARM O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccc([N+](=O)[O-])cc1 ZINC000100326903 426482049 /nfs/dbraw/zinc/48/20/49/426482049.db2.gz XXWMYIFSPWDPCD-JXMROGBWSA-N -1 0 321.288 2.873 50 30 DFEARM O=C1c2ccccc2C(=O)C1=C(N=c1[n-]nc[nH]1)c1ccccc1 ZINC000100937360 426483505 /nfs/dbraw/zinc/48/35/05/426483505.db2.gz WGAUBJOXZRVWTR-RCCKNPSSSA-N -1 0 316.320 2.621 50 30 DFEARM CC(=NOCC(=O)Nc1ccccc1C(=O)[O-])c1cccs1 ZINC000252613280 427190410 /nfs/dbraw/zinc/19/04/10/427190410.db2.gz JALSLBYAWNKONG-UHFFFAOYSA-N -1 0 318.354 2.826 50 30 DFEARM COC(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000252621388 427191085 /nfs/dbraw/zinc/19/10/85/427191085.db2.gz MXNDEUYUVHGWRV-UHFFFAOYSA-N -1 0 300.270 2.838 50 30 DFEARM Cc1cc(=O)[nH]c(NN=Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000016512989 301059296 /nfs/dbraw/zinc/05/92/96/301059296.db2.gz MCTCBIXMGIERBB-PJQLUOCWSA-N -1 0 313.144 2.537 50 30 DFEARM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000089955544 332081079 /nfs/dbraw/zinc/08/10/79/332081079.db2.gz IQZBDNFGJZRRJC-UHFFFAOYSA-N -1 0 323.418 2.676 50 30 DFEARM C=CCOC[C@H](CCNC(=O)OCc1ccccc1)CC(=O)[O-] ZINC000536954258 337868456 /nfs/dbraw/zinc/86/84/56/337868456.db2.gz OUYYWOKOJRLSSB-OAHLLOKOSA-N -1 0 321.373 2.596 50 30 DFEARM N#Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000037909018 563484249 /nfs/dbraw/zinc/48/42/49/563484249.db2.gz QVRUIYMCZHMKCH-UHFFFAOYSA-N -1 0 312.272 2.776 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(N(C)C)c2)cc1 ZINC000003529941 181030267 /nfs/dbraw/zinc/03/02/67/181030267.db2.gz WJQAFLOZYMTTDD-UHFFFAOYSA-N -1 0 318.398 2.755 50 30 DFEARM Cc1ccc2nc3[n-]c(NN=Cc4ccccn4)nnc-3c2c1 ZINC000004322248 181097692 /nfs/dbraw/zinc/09/76/92/181097692.db2.gz VZLHUHVGZJVEFX-GIJQJNRQSA-N -1 0 303.329 2.656 50 30 DFEARM Cc1ccc(C(=O)C(C#N)=NNc2ccccc2C(=O)[O-])cc1 ZINC000004475942 181112162 /nfs/dbraw/zinc/11/21/62/181112162.db2.gz XZAZGWLGFKFFQB-HMMYKYKNSA-N -1 0 307.309 2.868 50 30 DFEARM C#CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1nccs1 ZINC000076093753 398839749 /nfs/dbraw/zinc/83/97/49/398839749.db2.gz OBMRJSKWLCVILZ-UHFFFAOYSA-N -1 0 315.379 2.853 50 30 DFEARM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000006623496 181362222 /nfs/dbraw/zinc/36/22/22/181362222.db2.gz PYLNJIMWLNQRTA-UHFFFAOYSA-N -1 0 317.326 2.576 50 30 DFEARM N#Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000012889896 181807734 /nfs/dbraw/zinc/80/77/34/181807734.db2.gz BIBATPFGQPOGII-RYUDHWBXSA-N -1 0 304.733 2.817 50 30 DFEARM N#Cc1ccsc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000025208109 182404546 /nfs/dbraw/zinc/40/45/46/182404546.db2.gz LDZBMXAPKNQPOC-GFCCVEGCSA-N -1 0 318.329 2.956 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(C)C)cc2)C(=O)O1 ZINC000044013269 183392501 /nfs/dbraw/zinc/39/25/01/183392501.db2.gz IQCGZCHTXXVORT-NADMHLTPSA-N -1 0 314.337 2.702 50 30 DFEARM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000105640123 194117155 /nfs/dbraw/zinc/11/71/55/194117155.db2.gz DOMJLQZLCYNINJ-SKHCZCESSA-N -1 0 314.337 2.704 50 30 DFEARM CCOc1ccc(C#N)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000067456718 184467348 /nfs/dbraw/zinc/46/73/48/184467348.db2.gz PGOGCDXBUOIXFJ-UHFFFAOYSA-N -1 0 304.346 2.786 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(C)C)s1 ZINC000048518262 256536378 /nfs/dbraw/zinc/53/63/78/256536378.db2.gz XXVQQDLCPPWXQC-UHFFFAOYSA-N -1 0 305.421 2.764 50 30 DFEARM COc1cc(/C=C2\Oc3ccccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000299738165 257255921 /nfs/dbraw/zinc/25/59/21/257255921.db2.gz DFMJLRHXUGUNHM-ZSOIEALJSA-N -1 0 313.265 2.925 50 30 DFEARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccccc1C#N ZINC000064983745 425902330 /nfs/dbraw/zinc/90/23/30/425902330.db2.gz ADNVHWLXALPDBK-UHFFFAOYSA-N -1 0 311.341 2.568 50 30 DFEARM Cc1ccc(C([O-])=C(C#N)C(=O)CCNC(=O)C(C)(C)C)s1 ZINC000102763752 425926987 /nfs/dbraw/zinc/92/69/87/425926987.db2.gz RDMAXRILRMFFLQ-NSHDSACASA-N -1 0 320.414 2.501 50 30 DFEARM O=C(N=S(=O)([O-])c1ccc(Cl)cc1)NC1CCCCC1 ZINC000000001121 425530461 /nfs/dbraw/zinc/53/04/61/425530461.db2.gz TYZHJGCYLYXPSB-UHFFFAOYSA-N -1 0 316.810 2.865 50 30 DFEARM CCC(CC)(CC(=O)Nc1ccc(OCC#N)cc1)C(=O)[O-] ZINC000011259927 425709090 /nfs/dbraw/zinc/70/90/90/425709090.db2.gz IZLUXLYGUPJQJA-UHFFFAOYSA-N -1 0 304.346 2.809 50 30 DFEARM C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2[O-])SC1=S ZINC000013551631 425755386 /nfs/dbraw/zinc/75/53/86/425755386.db2.gz XYJKTXTZIPTOBF-YRNVUSSQSA-N -1 0 322.367 2.688 50 30 DFEARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048423973 425875418 /nfs/dbraw/zinc/87/54/18/425875418.db2.gz RHBAKFKLNNQIQX-ZETCQYMHSA-N -1 0 320.754 2.940 50 30 DFEARM CCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000048493739 425875936 /nfs/dbraw/zinc/87/59/36/425875936.db2.gz ITXJOAYMDMRHOI-UHFFFAOYSA-N -1 0 315.391 2.929 50 30 DFEARM CCc1ccc2ncc(C#N)c(N3CCC(C(=O)[O-])CC3)c2c1 ZINC000071328692 425985127 /nfs/dbraw/zinc/98/51/27/425985127.db2.gz DUFOWZUMYXJKLH-UHFFFAOYSA-N -1 0 309.369 2.970 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000103259625 425940199 /nfs/dbraw/zinc/94/01/99/425940199.db2.gz WIIFNMOHBHYPHC-SNVBAGLBSA-N -1 0 311.168 2.938 50 30 DFEARM CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000103503865 425951516 /nfs/dbraw/zinc/95/15/16/425951516.db2.gz FSHGAMWEERVGJV-MRXNPFEDSA-N -1 0 314.385 2.857 50 30 DFEARM N#Cc1ccnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000170608329 426140871 /nfs/dbraw/zinc/14/08/71/426140871.db2.gz DJXPFMJQSPXULY-UHFFFAOYSA-N -1 0 311.725 2.547 50 30 DFEARM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccs1 ZINC000096460592 426431511 /nfs/dbraw/zinc/43/15/11/426431511.db2.gz YEKDOOLQDXVBEY-UHFFFAOYSA-N -1 0 307.400 2.852 50 30 DFEARM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000096500775 426437622 /nfs/dbraw/zinc/43/76/22/426437622.db2.gz QSSDSONCQOPSEX-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000097048800 426443947 /nfs/dbraw/zinc/44/39/47/426443947.db2.gz LIYRPCLCDNZOJA-UHFFFAOYSA-N -1 0 312.272 2.776 50 30 DFEARM N#Cc1ccc2ncc(/C=C\c3ncc(/C=C/C(=O)[O-])s3)n2c1 ZINC000098056349 426477069 /nfs/dbraw/zinc/47/70/69/426477069.db2.gz VVBMSQQRPAHVLJ-JGDUWUCISA-N -1 0 322.349 2.931 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C#N)cc1 ZINC000100005564 426480583 /nfs/dbraw/zinc/48/05/83/426480583.db2.gz LZOBSXUXVXYMGO-CAPFRKAQSA-N -1 0 303.325 2.749 50 30 DFEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccc(C)cc2)C(=O)CC1(C)C ZINC000100319015 426482166 /nfs/dbraw/zinc/48/21/66/426482166.db2.gz YYVKYUJHAMWYSA-VOMSXAGXSA-N -1 0 315.369 2.648 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000100512332 426482802 /nfs/dbraw/zinc/48/28/02/426482802.db2.gz FURULAWSZQWQKN-SDXDJHTJSA-N -1 0 323.312 2.785 50 30 DFEARM O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccc2c(c1)OCO2 ZINC000100937284 426483551 /nfs/dbraw/zinc/48/35/51/426483551.db2.gz BVIXXTXWWWACNQ-FNORWQNLSA-N -1 0 320.300 2.693 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C#N ZINC000252460193 427172080 /nfs/dbraw/zinc/17/20/80/427172080.db2.gz CLQKOLMRHAMGIZ-UHFFFAOYSA-N -1 0 303.325 2.749 50 30 DFEARM Oc1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000252620803 427190391 /nfs/dbraw/zinc/19/03/91/427190391.db2.gz MMJFQDHFSSBKKE-UHFFFAOYSA-N -1 0 304.313 2.658 50 30 DFEARM CC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001403914 277932343 /nfs/dbraw/zinc/93/23/43/277932343.db2.gz QIIHVPCLWJLLFI-HNNXBMFYSA-N -1 0 316.313 2.503 50 30 DFEARM Cn1c2ccccc2nc1C(C#N)=NNc1ccc(C(=O)[O-])cc1 ZINC000004235592 294188814 /nfs/dbraw/zinc/18/88/14/294188814.db2.gz PSBRXZYXMNYJCW-KGENOOAVSA-N -1 0 319.324 2.611 50 30 DFEARM CCCCCCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000226858649 332502550 /nfs/dbraw/zinc/50/25/50/332502550.db2.gz ZDBLWWKZUSRFRC-UHFFFAOYSA-N -1 0 313.419 2.942 50 30 DFEARM Nc1nc2ccc(C(=O)NC3CCC(C(=O)[O-])CC3)cc2s1 ZINC000082136681 192360545 /nfs/dbraw/zinc/36/05/45/192360545.db2.gz IHNQSYJHFPWNJP-UHFFFAOYSA-N -1 0 319.386 2.827 50 30 DFEARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000097002726 185396330 /nfs/dbraw/zinc/39/63/30/185396330.db2.gz OPHHSAKQFGBISK-KBPBESRZSA-N -1 0 316.382 2.839 50 30 DFEARM C[C@@H](C1CC1)N(CCC#N)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097374749 398667825 /nfs/dbraw/zinc/66/78/25/398667825.db2.gz DCLPFOKOXRIQIZ-QMMMGPOBSA-N -1 0 312.291 2.964 50 30 DFEARM CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1O ZINC000005519589 181252998 /nfs/dbraw/zinc/25/29/98/181252998.db2.gz VJRMRSAZVZDUMA-LICLKQGHSA-N -1 0 300.314 2.935 50 30 DFEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000005602645 181262288 /nfs/dbraw/zinc/26/22/88/181262288.db2.gz VSFFLDYIMATWGB-UHFFFAOYSA-N -1 0 312.272 2.776 50 30 DFEARM O=C([O-])[C@@H]1CS[C@H](c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000009189884 295986998 /nfs/dbraw/zinc/98/69/98/295986998.db2.gz FMMCEXVCWYTNEH-DLBZAZTESA-N -1 0 309.390 2.875 50 30 DFEARM CC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000096442092 193647189 /nfs/dbraw/zinc/64/71/89/193647189.db2.gz ISOZLIGYCLRFKV-SECBINFHSA-N -1 0 302.396 2.653 50 30 DFEARM Cc1cccc(OCCCN2c3ccccc3/C(=N/[O-])C2=O)c1 ZINC000039853896 183022516 /nfs/dbraw/zinc/02/25/16/183022516.db2.gz GPPFLZCSELWXHC-ZPHPHTNESA-N -1 0 310.353 2.989 50 30 DFEARM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]S(C)(=O)=O ZINC000066229806 184398095 /nfs/dbraw/zinc/39/80/95/184398095.db2.gz DVBDDVZNTQDXAY-LURJTMIESA-N -1 0 312.174 2.677 50 30 DFEARM CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418187 256536190 /nfs/dbraw/zinc/53/61/90/256536190.db2.gz CZISNMUPZTUBPT-UHFFFAOYSA-N -1 0 305.783 2.802 50 30 DFEARM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000054488759 425890533 /nfs/dbraw/zinc/89/05/33/425890533.db2.gz FAIZFQSKQFRPTQ-UHFFFAOYSA-N -1 0 314.363 2.985 50 30 DFEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000000288566 425551086 /nfs/dbraw/zinc/55/10/86/425551086.db2.gz GURVRWFQRRQLHS-UHFFFAOYSA-N -1 0 309.778 2.961 50 30 DFEARM O=C1Nc2ccccc2[C@@]1(O)C/C(=N/[O-])c1ccc(Cl)cc1 ZINC000000442853 425561530 /nfs/dbraw/zinc/56/15/30/425561530.db2.gz YHJOTLUAZDXJQN-UYPHOHSBSA-N -1 0 316.744 2.748 50 30 DFEARM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(O)c1 ZINC000001261480 425576020 /nfs/dbraw/zinc/57/60/20/425576020.db2.gz MVSQTHLGAZOAJC-CXUHLZMHSA-N -1 0 312.354 2.901 50 30 DFEARM O=C([O-])COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000002330350 425593776 /nfs/dbraw/zinc/59/37/76/425593776.db2.gz HHFRACDVWIASET-QPEQYQDCSA-N -1 0 302.307 2.828 50 30 DFEARM CN(C)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000002544674 425595549 /nfs/dbraw/zinc/59/55/49/425595549.db2.gz GPJCOCLHHWONRW-FRKPEAEDSA-N -1 0 315.324 2.534 50 30 DFEARM FC(F)Oc1ccccc1C=Nn1c(=S)[n-]nc1C(F)F ZINC000002790346 425603606 /nfs/dbraw/zinc/60/36/06/425603606.db2.gz DUNBHPPHJRHDNC-FZSIALSZSA-N -1 0 320.271 2.988 50 30 DFEARM NC1=C(c2ccccc2)C(=O)CN1c1cccc(C=CC(=O)[O-])c1 ZINC000003171611 425609584 /nfs/dbraw/zinc/60/95/84/425609584.db2.gz HUQZCQXXHONELK-MDZDMXLPSA-N -1 0 320.348 2.501 50 30 DFEARM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003269687 425615188 /nfs/dbraw/zinc/61/51/88/425615188.db2.gz FOCXDNHATGXDNM-UHFFFAOYSA-N -1 0 317.366 2.766 50 30 DFEARM N#Cc1cc(C(=O)c2ccccc2[O-])cn(C2CCCC2)c1=O ZINC000014166294 425767598 /nfs/dbraw/zinc/76/75/98/425767598.db2.gz RDRRQXDAEAAKBZ-UHFFFAOYSA-N -1 0 308.337 2.772 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(C)C)C(=O)O1 ZINC000028605439 425822387 /nfs/dbraw/zinc/82/23/87/425822387.db2.gz OJVKGRKGNXCYAF-IJDCCNJMSA-N -1 0 314.337 2.702 50 30 DFEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)c1 ZINC000048472420 425875685 /nfs/dbraw/zinc/87/56/85/425875685.db2.gz LOOHZKFCIRWEBK-CYBMUJFWSA-N -1 0 311.403 2.908 50 30 DFEARM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c1C ZINC000048503078 425875787 /nfs/dbraw/zinc/87/57/87/425875787.db2.gz ZXKCQROZJOEZNL-UHFFFAOYSA-N -1 0 318.354 2.770 50 30 DFEARM CC(C)CCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048519865 425875809 /nfs/dbraw/zinc/87/58/09/425875809.db2.gz XPVNSCCJPJLHPQ-UHFFFAOYSA-N -1 0 313.404 2.773 50 30 DFEARM COc1cc(OC)cc(C(=O)C(C#N)=C([O-])c2cccs2)c1 ZINC000103259748 425940191 /nfs/dbraw/zinc/94/01/91/425940191.db2.gz DLXRMKPVORTLSG-CYBMUJFWSA-N -1 0 315.350 2.971 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000103732490 425953682 /nfs/dbraw/zinc/95/36/82/425953682.db2.gz JGFDHPKMKCCUEF-SECBINFHSA-N -1 0 319.773 2.532 50 30 DFEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000096404478 426415211 /nfs/dbraw/zinc/41/52/11/426415211.db2.gz MIUYQDAGBBZEHD-VMPITWQZSA-N -1 0 317.388 2.536 50 30 DFEARM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[N-]S(C)(=O)=O ZINC000096416147 426418165 /nfs/dbraw/zinc/41/81/65/426418165.db2.gz DFFRNOMAPMVNLZ-MRVPVSSYSA-N -1 0 309.309 2.800 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000100752493 426483015 /nfs/dbraw/zinc/48/30/15/426483015.db2.gz HPXILOJXBHLVLC-SECBINFHSA-N -1 0 319.773 2.532 50 30 DFEARM N#Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000012889910 303195340 /nfs/dbraw/zinc/19/53/40/303195340.db2.gz BIBATPFGQPOGII-NEPJUHHUSA-N -1 0 304.733 2.817 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]c2ncccc2C#N)cc(C)c1F ZINC000097104537 323209000 /nfs/dbraw/zinc/20/90/00/323209000.db2.gz VTZDRIGFEPMDKG-UHFFFAOYSA-N -1 0 305.334 2.510 50 30 DFEARM Cc1ccc(OCC(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000048595095 525372411 /nfs/dbraw/zinc/37/24/11/525372411.db2.gz MYMWOZYGRSENHY-UHFFFAOYSA-N -1 0 319.382 2.860 50 30 DFEARM COc1ccccc1[C@@H](C#N)NC(=O)c1c([O-])cccc1F ZINC000225397790 398347967 /nfs/dbraw/zinc/34/79/67/398347967.db2.gz QLANZSXYVBNQMB-GFCCVEGCSA-N -1 0 300.289 2.535 50 30 DFEARM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003560188 181034601 /nfs/dbraw/zinc/03/46/01/181034601.db2.gz DOMJLQZLCYNINJ-RCMYXZNBSA-N -1 0 314.337 2.704 50 30 DFEARM COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c([N+](=O)[O-])c1 ZINC000004016561 181062641 /nfs/dbraw/zinc/06/26/41/181062641.db2.gz LOUJLOAQMJSNCU-OVCLIPMQSA-N -1 0 317.257 2.968 50 30 DFEARM COc1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000004180760 181082351 /nfs/dbraw/zinc/08/23/51/181082351.db2.gz NPBGITPJCTZHEM-VCHYOVAHSA-N -1 0 318.340 2.961 50 30 DFEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccccc3O)nnc2-1 ZINC000005008828 181189580 /nfs/dbraw/zinc/18/95/80/181189580.db2.gz LQVUOLVQEHIHMN-NVMNQCDNSA-N -1 0 318.340 2.966 50 30 DFEARM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1F ZINC000096474035 193660686 /nfs/dbraw/zinc/66/06/86/193660686.db2.gz MOZPYVCRHDWJMH-UHFFFAOYSA-N -1 0 301.314 2.885 50 30 DFEARM O=[N+]([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1 ZINC000017160295 182077685 /nfs/dbraw/zinc/07/76/85/182077685.db2.gz ROHVHVSLIUUPDG-RIYZIHGNSA-N -1 0 315.314 2.991 50 30 DFEARM Cc1ccc(OCCN2c3ccc(C)cc3/C(=N/[O-])C2=O)cc1 ZINC000039853934 183022478 /nfs/dbraw/zinc/02/24/78/183022478.db2.gz KBHNDNKSNUTNTG-ZPHPHTNESA-N -1 0 310.353 2.907 50 30 DFEARM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]S(C)(=O)=O ZINC000066229807 184398029 /nfs/dbraw/zinc/39/80/29/184398029.db2.gz DVBDDVZNTQDXAY-ZCFIWIBFSA-N -1 0 312.174 2.677 50 30 DFEARM Cc1cc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)c(C)o1 ZINC000071849869 256544019 /nfs/dbraw/zinc/54/40/19/256544019.db2.gz AXKIHMCAXNMGDZ-UHFFFAOYSA-N -1 0 307.371 2.774 50 30 DFEARM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000244641246 257259600 /nfs/dbraw/zinc/25/96/00/257259600.db2.gz GLZSDIMNGWESIQ-UHFFFAOYSA-N -1 0 324.365 2.814 50 30 DFEARM COc1ccc(Cl)cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000102781563 425928655 /nfs/dbraw/zinc/92/86/55/425928655.db2.gz XGQZAHUHPBXTRE-QTLSWZBMSA-N -1 0 320.728 2.577 50 30 DFEARM C=CCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000002886053 425607018 /nfs/dbraw/zinc/60/70/18/425607018.db2.gz OXTBXBFPLXDRIK-JTQLQIEISA-N -1 0 319.386 2.705 50 30 DFEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)s2)n1 ZINC000007985633 425657484 /nfs/dbraw/zinc/65/74/84/425657484.db2.gz NEHBXQIQGLRKHV-JTQLQIEISA-N -1 0 320.395 2.855 50 30 DFEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)oc2C)n1 ZINC000007986055 425658036 /nfs/dbraw/zinc/65/80/36/425658036.db2.gz ASCRLFCPPILCBH-GFCCVEGCSA-N -1 0 318.354 2.695 50 30 DFEARM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048638291 425876369 /nfs/dbraw/zinc/87/63/69/425876369.db2.gz HOVIENSBFOEGBD-SECBINFHSA-N -1 0 323.399 2.693 50 30 DFEARM CS(=O)(=O)[N-]C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000048480145 425875663 /nfs/dbraw/zinc/87/56/63/425875663.db2.gz HDEXUXHNHNZZOQ-UHFFFAOYSA-N -1 0 316.791 2.728 50 30 DFEARM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)o1 ZINC000048473117 425875706 /nfs/dbraw/zinc/87/57/06/425875706.db2.gz JKPZROMQSAWJCS-UHFFFAOYSA-N -1 0 321.354 2.738 50 30 DFEARM Cc1ncc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)s1 ZINC000071803797 425989389 /nfs/dbraw/zinc/98/93/89/425989389.db2.gz YVYOXGXDWDTUOU-BQYQJAHWSA-N -1 0 308.384 2.757 50 30 DFEARM O=C(C=Cc1ccnc2ccccc12)[N-]S(=O)(=O)CC1CC1 ZINC000077957069 426153741 /nfs/dbraw/zinc/15/37/41/426153741.db2.gz DHSKIAVITBOGFW-BQYQJAHWSA-N -1 0 316.382 2.944 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1ccc(F)c(Br)c1 ZINC000096442337 426427185 /nfs/dbraw/zinc/42/71/85/426427185.db2.gz XEDUWOWGZLLOJT-UHFFFAOYSA-N -1 0 324.171 2.633 50 30 DFEARM N#CCCN(Cc1ccccn1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000097080092 426446290 /nfs/dbraw/zinc/44/62/90/426446290.db2.gz OZFGUGZXSHMLFD-UHFFFAOYSA-N -1 0 315.760 2.997 50 30 DFEARM COc1ccccc1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100512351 426482691 /nfs/dbraw/zinc/48/26/91/426482691.db2.gz SFCPVHICGDDQCZ-MNDPQUGUSA-N -1 0 308.341 2.886 50 30 DFEARM C/C(=N\c1ccc2ccccc2c1)c1c([O-])[nH]c(=O)sc1=O ZINC000225368222 426597682 /nfs/dbraw/zinc/59/76/82/426597682.db2.gz UZZCNLDAOHEEGI-RQZCQDPDSA-N -1 0 312.350 2.796 50 30 DFEARM CSc1ccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC000252460603 427172840 /nfs/dbraw/zinc/17/28/40/427172840.db2.gz GQOXIGMPMSRGPP-UHFFFAOYSA-N -1 0 311.366 2.689 50 30 DFEARM Cc1ccc2c(c1)C(=N[O-])C(=O)N2CCOc1ccccc1C ZINC000252458553 427173423 /nfs/dbraw/zinc/17/34/23/427173423.db2.gz RAVUGFZQEWLXDF-UHFFFAOYSA-N -1 0 310.353 2.907 50 30 DFEARM Cc1cc2c(c(C)c1)N(CCOc1ccccc1)C(=O)C2=N[O-] ZINC000252458364 427173653 /nfs/dbraw/zinc/17/36/53/427173653.db2.gz CJHMHKGKQVJARE-UHFFFAOYSA-N -1 0 310.353 2.907 50 30 DFEARM C=C1C(=NNc2ccc(C(=O)OC)cc2)C(=O)N=C([O-])C1C#N ZINC000253531784 427213246 /nfs/dbraw/zinc/21/32/46/427213246.db2.gz PUKCDGRXIAJLAE-UHFFFAOYSA-N -1 0 312.285 2.875 50 30 DFEARM CC(C)[C@@H](C)CC(=O)[N-]S(=O)(=O)c1nc2ccccc2[nH]1 ZINC000065535464 519790081 /nfs/dbraw/zinc/79/00/81/519790081.db2.gz VAIIIGNBEDASGC-JTQLQIEISA-N -1 0 309.391 2.890 50 30 DFEARM O=[N+]([O-])C(N=Nc1ccccc1O)=N[N-]c1ccccc1O ZINC000004343238 181100557 /nfs/dbraw/zinc/10/05/57/181100557.db2.gz DFRBNTIANVWQPX-ZJXJWLBESA-N -1 0 301.262 2.841 50 30 DFEARM O=C([O-])COc1ccccc1CN=Nc1ncnc2ccccc21 ZINC000004536890 181120874 /nfs/dbraw/zinc/12/08/74/181120874.db2.gz KWBCZRSVOIQSFK-AWQFTUOYSA-N -1 0 322.324 2.539 50 30 DFEARM O=c1c2ccccc2nc(NN=Cc2ccccc2Cl)n1[O-] ZINC000005443075 181244110 /nfs/dbraw/zinc/24/41/10/181244110.db2.gz TYIUJXMQKUTAJB-RQZCQDPDSA-N -1 0 314.732 2.733 50 30 DFEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2cc(C)[nH]n2)cc1 ZINC000005625924 181265508 /nfs/dbraw/zinc/26/55/08/181265508.db2.gz UUWXAAWKRGMANU-OVCLIPMQSA-N -1 0 314.374 2.530 50 30 DFEARM N#Cc1nc(NC(=O)c2cc3cc(F)ccc3s2)[n-]c1C#N ZINC000078314103 398948442 /nfs/dbraw/zinc/94/84/42/398948442.db2.gz NPYPYVZONKECHG-UHFFFAOYSA-N -1 0 311.301 2.759 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1ccc(Br)cc1C ZINC000096416209 193628428 /nfs/dbraw/zinc/62/84/28/193628428.db2.gz DDHBBMLFJIQOKR-UHFFFAOYSA-N -1 0 320.208 2.802 50 30 DFEARM CCOC(=O)c1sc(=Nc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000198713010 399197098 /nfs/dbraw/zinc/19/70/98/399197098.db2.gz LVLDWHGQWUBVDV-VJSMGTLGSA-N -1 0 307.331 2.722 50 30 DFEARM CC(=O)CSc1nc(CCc2ccccc2)c(C#N)c(=O)[n-]1 ZINC000015989614 182028122 /nfs/dbraw/zinc/02/81/22/182028122.db2.gz VUVCIPIWBOWFSQ-UHFFFAOYSA-N -1 0 313.382 2.520 50 30 DFEARM O=C([O-])C(C(=O)/C=C/c1cccc(O)c1)=C1SCCS1 ZINC000017111644 182075630 /nfs/dbraw/zinc/07/56/30/182075630.db2.gz SIOPLGHUMGMGDQ-SNAWJCMRSA-N -1 0 308.380 2.751 50 30 DFEARM Cc1ccc(/N=C2/S[C@@H](CC(=O)[O-])C(=O)N2C)cc1Cl ZINC000020395235 182214333 /nfs/dbraw/zinc/21/43/33/182214333.db2.gz VLDZLPLYKWJVHP-FIKMJJSBSA-N -1 0 312.778 2.684 50 30 DFEARM C=CCn1c(=O)c(C(=O)Nc2cccnc2)c([O-])c2ccccc21 ZINC000100602422 193801559 /nfs/dbraw/zinc/80/15/59/193801559.db2.gz STIOQQLLDQRYOQ-UHFFFAOYSA-N -1 0 321.336 2.540 50 30 DFEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC2)c(C(F)(F)F)c1 ZINC000058168338 184083790 /nfs/dbraw/zinc/08/37/90/184083790.db2.gz LNSBORBSVJOVHL-UHFFFAOYSA-N -1 0 318.276 2.632 50 30 DFEARM CCn1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)cn1 ZINC000058230417 184092020 /nfs/dbraw/zinc/09/20/20/184092020.db2.gz LRERCFXEJQHKMH-GUOLPTJISA-N -1 0 314.341 2.651 50 30 DFEARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000097002728 257272084 /nfs/dbraw/zinc/27/20/84/257272084.db2.gz OPHHSAKQFGBISK-KGLIPLIRSA-N -1 0 316.382 2.839 50 30 DFEARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000097002729 257272098 /nfs/dbraw/zinc/27/20/98/257272098.db2.gz OPHHSAKQFGBISK-UONOGXRCSA-N -1 0 316.382 2.839 50 30 DFEARM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1(C)C ZINC000071822569 184854595 /nfs/dbraw/zinc/85/45/95/184854595.db2.gz WRXMTLKNSHEAPY-OLZOCXBDSA-N -1 0 314.451 2.912 50 30 DFEARM Cc1ccc(/C=N/NC(=S)Nc2cccc(C(=O)[O-])c2)o1 ZINC000000126255 425538730 /nfs/dbraw/zinc/53/87/30/425538730.db2.gz VGGQPOMYDOBMND-OVCLIPMQSA-N -1 0 303.343 2.607 50 30 DFEARM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000167912 425541303 /nfs/dbraw/zinc/54/13/03/425541303.db2.gz DUZQSPFWEXIMOW-UHFFFAOYSA-N -1 0 305.355 2.719 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccccc2F)cc1 ZINC000000337681 425554456 /nfs/dbraw/zinc/55/44/56/425554456.db2.gz UWPZNZKVGDFZMI-UHFFFAOYSA-N -1 0 308.334 2.849 50 30 DFEARM O=C([O-])[C@H]1CS[C@H](c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000013839805 425761804 /nfs/dbraw/zinc/76/18/04/425761804.db2.gz FMMCEXVCWYTNEH-IAGOWNOFSA-N -1 0 309.390 2.875 50 30 DFEARM CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461351 425875635 /nfs/dbraw/zinc/87/56/35/425875635.db2.gz IHMUVKZTBIANPQ-UHFFFAOYSA-N -1 0 311.812 2.863 50 30 DFEARM CS(=O)(=O)[N-]C(=O)CCSc1nc2ccccc2s1 ZINC000048479839 425875643 /nfs/dbraw/zinc/87/56/43/425875643.db2.gz GIQVGPYCMKUMDJ-UHFFFAOYSA-N -1 0 316.429 2.695 50 30 DFEARM CCC(CC)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000048492961 425875992 /nfs/dbraw/zinc/87/59/92/425875992.db2.gz ZFZFWNIRFLYMJW-UHFFFAOYSA-N -1 0 315.391 2.785 50 30 DFEARM CCOC(=O)N=c1[n-]nc(Sc2ccc(C#N)cn2)s1 ZINC000069618290 425948677 /nfs/dbraw/zinc/94/86/77/425948677.db2.gz RWDLKGYHMOTJTB-UHFFFAOYSA-N -1 0 307.360 2.524 50 30 DFEARM N#Cc1nc(NC(=O)C[C@H]2CCCc3ccccc32)[n-]c1C#N ZINC000170994798 426163324 /nfs/dbraw/zinc/16/33/24/426163324.db2.gz PEDPBFIMDBCDJP-GFCCVEGCSA-N -1 0 305.341 2.602 50 30 DFEARM CC[C@@H](C(C)C)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1 ZINC000095406068 426372657 /nfs/dbraw/zinc/37/26/57/426372657.db2.gz QUEAOIAFQLIYPJ-ZDUSSCGKSA-N -1 0 315.439 2.613 50 30 DFEARM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000095995700 426386125 /nfs/dbraw/zinc/38/61/25/426386125.db2.gz CWMGBHPYCFKPIS-UHFFFAOYSA-N -1 0 306.318 2.507 50 30 DFEARM Cn1cc(S(=O)(=O)[N-]C(=O)CCC=Cc2ccccc2)cn1 ZINC000096416148 426418672 /nfs/dbraw/zinc/41/86/72/426418672.db2.gz PKZWNMKGDWCLFW-UITAMQMPSA-N -1 0 319.386 2.559 50 30 DFEARM CC(C)C[C@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000100217947 426481436 /nfs/dbraw/zinc/48/14/36/426481436.db2.gz FOQCZPYGTIULFZ-NSHDSACASA-N -1 0 321.760 2.605 50 30 DFEARM Cc1ccc(/N=C2/S[C@@H](C(=O)[O-])CC(=O)N2C)cc1Cl ZINC000100262689 426481654 /nfs/dbraw/zinc/48/16/54/426481654.db2.gz ZVWDSIJEPXZSTJ-NIZNLAEJSA-N -1 0 312.778 2.684 50 30 DFEARM O=C([O-])c1ccccc1NN=C1C=C(c2ccccc2)OC1=O ZINC000100481842 426482198 /nfs/dbraw/zinc/48/21/98/426482198.db2.gz ZEZWCFCXUHQNSA-XMHGGMMESA-N -1 0 308.293 2.751 50 30 DFEARM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245934656 426785192 /nfs/dbraw/zinc/78/51/92/426785192.db2.gz RFIIWUPDNRWCMJ-BYNSBNAKSA-N -1 0 313.401 2.918 50 30 DFEARM O=C1C(=N[O-])c2ccccc2N1CCOc1ccccc1Cl ZINC000252458539 427173862 /nfs/dbraw/zinc/17/38/62/427173862.db2.gz PWRMFFNKZFPUMO-UHFFFAOYSA-N -1 0 316.744 2.944 50 30 DFEARM CCOC(=O)C(=N[O-])C1=NC2(CCCC2)Cc2ccccc21 ZINC000252628030 427189918 /nfs/dbraw/zinc/18/99/18/427189918.db2.gz SGTGJCSTOIKLIM-UHFFFAOYSA-N -1 0 300.358 2.738 50 30 DFEARM C=CCS(=O)(=O)[N-]C(=O)c1scnc1C1CCCC1 ZINC000097136989 332193202 /nfs/dbraw/zinc/19/32/02/332193202.db2.gz AVXRMEOGWFCMLX-UHFFFAOYSA-N -1 0 300.405 2.621 50 30 DFEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)Cc1cc(C)ccc1C ZINC000096403782 337381745 /nfs/dbraw/zinc/38/17/45/337381745.db2.gz NJNZPUOCDVFPCH-UHFFFAOYSA-N -1 0 322.386 2.796 50 30 DFEARM C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263427718 337628770 /nfs/dbraw/zinc/62/87/70/337628770.db2.gz RSSAQDGPLIVPKG-UHFFFAOYSA-N -1 0 302.374 2.988 50 30 DFEARM CS(=O)(=O)[N-]C(=O)C=Cc1cccc(OC2CCCC2)c1 ZINC000070030157 525096285 /nfs/dbraw/zinc/09/62/85/525096285.db2.gz DWVHIQFGKDWQLX-MDZDMXLPSA-N -1 0 309.387 2.937 50 30 DFEARM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000058326038 525898259 /nfs/dbraw/zinc/89/82/59/525898259.db2.gz PVGVAUGOXMGBOO-VMPCVLLUSA-N -1 0 309.387 2.759 50 30 DFEARM N#CC(=C([O-])c1cn(-c2ccccc2Cl)nn1)c1ccccn1 ZINC000057741322 526508510 /nfs/dbraw/zinc/50/85/10/526508510.db2.gz DFFIUAISSUJCIX-NSHDSACASA-N -1 0 323.743 2.806 50 30 DFEARM N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058073858 526668836 /nfs/dbraw/zinc/66/88/36/526668836.db2.gz AGOXTGZQECPSLQ-UHFFFAOYSA-N -1 0 322.386 2.556 50 30 DFEARM CCC[C@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(CCC)c1C ZINC000095414198 185358379 /nfs/dbraw/zinc/35/83/79/185358379.db2.gz RUKHJNXHDUYUII-JTQLQIEISA-N -1 0 315.439 2.733 50 30 DFEARM N/C(=N\O)c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000004289222 181092799 /nfs/dbraw/zinc/09/27/99/181092799.db2.gz MTJYUYAVQKFBSO-UHFFFAOYSA-N -1 0 309.228 2.760 50 30 DFEARM COc1ccc(CCCC(=O)[N-]S(C)(=O)=O)c(Cl)c1 ZINC000078410913 191859978 /nfs/dbraw/zinc/85/99/78/191859978.db2.gz KBNOIMCNZPCWRZ-UHFFFAOYSA-N -1 0 305.783 2.587 50 30 DFEARM N#Cc1ccc([O-])c(NC(=O)c2ccc(N3CCCC3)nc2)c1 ZINC000075093113 398785374 /nfs/dbraw/zinc/78/53/74/398785374.db2.gz IAQTXVVRGICZRJ-UHFFFAOYSA-N -1 0 308.341 2.511 50 30 DFEARM N#Cc1ccc([O-])c(NC(=O)c2cccc(-n3cccn3)c2)c1 ZINC000075093054 398785256 /nfs/dbraw/zinc/78/52/56/398785256.db2.gz AWDWROUCDZYGFJ-UHFFFAOYSA-N -1 0 304.309 2.702 50 30 DFEARM CC(=O)[N-]S(=O)(=O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000017039928 182070690 /nfs/dbraw/zinc/07/06/90/182070690.db2.gz MLJWRQPZMOWUSA-MHWRWJLKSA-N -1 0 318.354 2.808 50 30 DFEARM CCn1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)cn1 ZINC000058230419 184092048 /nfs/dbraw/zinc/09/20/48/184092048.db2.gz LRERCFXEJQHKMH-ABZNLYFFSA-N -1 0 314.341 2.651 50 30 DFEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccccc2C)C(=O)CC1(C)C ZINC000100318977 256562310 /nfs/dbraw/zinc/56/23/10/256562310.db2.gz UUUORTXBIWGDLY-HBIYDYFMSA-N -1 0 315.369 2.648 50 30 DFEARM COC(=O)C(C#N)=C([O-])c1cc(C)n(Cc2ccccc2)c1C ZINC000103555867 256576025 /nfs/dbraw/zinc/57/60/25/256576025.db2.gz NQSPPZIOGCVYHR-MRXNPFEDSA-N -1 0 310.353 2.649 50 30 DFEARM CCCCCCCc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000095686749 257272039 /nfs/dbraw/zinc/27/20/39/257272039.db2.gz KFAOVNJKUSSKSR-UHFFFAOYSA-N -1 0 314.385 2.949 50 30 DFEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\C(=O)[O-])sc2C1 ZINC000006791297 287120837 /nfs/dbraw/zinc/12/08/37/287120837.db2.gz KBEMPPDUIDFFHB-SSJHQANKSA-N -1 0 304.371 2.714 50 30 DFEARM CCOc1ccc(Br)cc1C(=O)CC(=O)C(=O)[O-] ZINC000102411962 425919804 /nfs/dbraw/zinc/91/98/04/425919804.db2.gz HKRYXVJQMRBVIW-POHAHGRESA-N -1 0 315.119 2.557 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)NCc2ccc(F)cc2)cc1 ZINC000000378061 425557193 /nfs/dbraw/zinc/55/71/93/425557193.db2.gz QBVSXHARDYFNAT-UHFFFAOYSA-N -1 0 322.361 2.527 50 30 DFEARM CCOC(=O)c1c(O)csc1Nc1ccc(OCC)cc1 ZINC000008702658 425672946 /nfs/dbraw/zinc/67/29/46/425672946.db2.gz HDYHYEHOKNVUCQ-UHFFFAOYSA-N -1 0 307.371 2.588 50 30 DFEARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccco2)C1 ZINC000012409820 425725206 /nfs/dbraw/zinc/72/52/06/425725206.db2.gz YHUYNCCQJRQCJQ-GFCCVEGCSA-N -1 0 300.318 2.885 50 30 DFEARM COc1ccc(C([O-])=C(C=O)N=Nc2ccc(F)cc2)cc1 ZINC000013142530 425750463 /nfs/dbraw/zinc/75/04/63/425750463.db2.gz ZWVCYHPXCDRGJR-XDJHFCHBSA-N -1 0 300.289 2.684 50 30 DFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1C ZINC000071892457 426000107 /nfs/dbraw/zinc/00/01/07/426000107.db2.gz DAXUGBQRLXKDMB-AWEZNQCLSA-N -1 0 311.403 2.507 50 30 DFEARM CO/N=C(/C(=O)[O-])c1ccccc1COc1ccc(O)cc1C ZINC000077300554 426125723 /nfs/dbraw/zinc/12/57/23/426125723.db2.gz HEMVDCDJEKCCCZ-FBMGVBCBSA-N -1 0 315.325 2.715 50 30 in-vitro DFEARM C=C(C)CCOC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000170646061 426141364 /nfs/dbraw/zinc/14/13/64/426141364.db2.gz NAUQGHIWVGYMAU-UHFFFAOYSA-N -1 0 318.398 2.828 50 30 DFEARM CC(=CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)C(C)(C)C ZINC000096441809 426426131 /nfs/dbraw/zinc/42/61/31/426426131.db2.gz TVRHQHKLDCACQA-HJWRWDBZSA-N -1 0 313.423 2.675 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000096442349 426427112 /nfs/dbraw/zinc/42/71/12/426427112.db2.gz CMVVBCHPDHLEJO-KOLCDFICSA-N -1 0 303.330 2.765 50 30 DFEARM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1O ZINC000096494492 426436292 /nfs/dbraw/zinc/43/62/92/426436292.db2.gz MGBLDIULHXSLDN-UHFFFAOYSA-N -1 0 306.318 2.512 50 30 DFEARM C/C(=N/Nc1ncc(C)cc1Cl)c1c([O-])cc(C)oc1=O ZINC000100920831 426483617 /nfs/dbraw/zinc/48/36/17/426483617.db2.gz GOTZSYCPIOVFIK-MFOYZWKCSA-N -1 0 307.737 2.847 50 30 DFEARM Cc1ccc(C([O-])=C(C#N)C(=O)CCc2cnn(C)c2)c(C)c1 ZINC000101374050 426484130 /nfs/dbraw/zinc/48/41/30/426484130.db2.gz SMLZTOHAHWGMAS-INIZCTEOSA-N -1 0 309.369 2.561 50 30 DFEARM CCOc1ccccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000254442338 427219001 /nfs/dbraw/zinc/21/90/01/427219001.db2.gz HQRLQTQXUVEGMD-UHFFFAOYSA-N -1 0 316.308 2.867 50 30 DFEARM Cc1cccc(OCCCN2c3ccccc3C(=N[O-])C2=O)c1 ZINC000254820837 427225130 /nfs/dbraw/zinc/22/51/30/427225130.db2.gz GPPFLZCSELWXHC-UHFFFAOYSA-N -1 0 310.353 2.989 50 30 DFEARM CCN(CC)S(=O)(=O)c1ccc([O-])c(N=Cc2ccc[nH]2)c1 ZINC000263625642 427528370 /nfs/dbraw/zinc/52/83/70/427528370.db2.gz ABGDJQSJEFFIBL-UHFFFAOYSA-N -1 0 321.402 2.501 50 30 DFEARM O=C(CCOc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594993 527194610 /nfs/dbraw/zinc/19/46/10/527194610.db2.gz OFHDDQYUNDXICQ-UHFFFAOYSA-N -1 0 319.382 2.942 50 30 DFEARM CCN(CC)S(=O)(=O)[N-]C(=O)CCc1cc(C)sc1C ZINC000095415946 185359105 /nfs/dbraw/zinc/35/91/05/185359105.db2.gz WTOAMNVKFVTGKR-UHFFFAOYSA-N -1 0 318.464 2.841 50 30 DFEARM C[C@H](C1CC1)N(CCC#N)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097374751 398668314 /nfs/dbraw/zinc/66/83/14/398668314.db2.gz DCLPFOKOXRIQIZ-MRVPVSSYSA-N -1 0 312.291 2.964 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)cc2)C(=O)O1 ZINC000003326333 181005664 /nfs/dbraw/zinc/00/56/64/181005664.db2.gz XFJTYXVVQLNYIB-BTKRWWFXSA-N -1 0 322.263 2.516 50 30 DFEARM CSc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003543730 181032289 /nfs/dbraw/zinc/03/22/89/181032289.db2.gz KTVPNEFFBODWDC-SBJJXXPASA-N -1 0 302.351 2.637 50 30 DFEARM N#Cc1c(=O)[n-]c(NN=Cc2ccco2)nc1-c1ccccc1 ZINC000004301082 181094628 /nfs/dbraw/zinc/09/46/28/181094628.db2.gz SUPAWAQCFHJVAP-VCHYOVAHSA-N -1 0 305.297 2.760 50 30 DFEARM CC(=O)c1ccc(N=Cc2c([O-])c3ccccc3oc2=O)cc1 ZINC000004932213 181175201 /nfs/dbraw/zinc/17/52/01/181175201.db2.gz CJOVBPQZCUJHNH-GDNBJRDFSA-N -1 0 307.305 2.987 50 30 DFEARM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000075611888 191501443 /nfs/dbraw/zinc/50/14/43/191501443.db2.gz AOPSMVMNTFRNCH-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000005320599 181229065 /nfs/dbraw/zinc/22/90/65/181229065.db2.gz BCGOMMFPGJHMQY-LICLKQGHSA-N -1 0 300.314 2.848 50 30 DFEARM N#CC(=C([O-])C(=O)Nc1nccs1)c1ccccc1Cl ZINC000005717600 181276580 /nfs/dbraw/zinc/27/65/80/181276580.db2.gz IDKTYFMVOWEMNZ-SECBINFHSA-N -1 0 305.746 2.611 50 30 DFEARM Cc1occc1C(=O)[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000096409094 193623060 /nfs/dbraw/zinc/62/30/60/193623060.db2.gz AVLXOJZWJNJGDN-UHFFFAOYSA-N -1 0 316.338 2.830 50 30 DFEARM Cc1cc(C(=O)[N-]S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000040129809 183038484 /nfs/dbraw/zinc/03/84/84/183038484.db2.gz SXDURDLTGHXLMD-UHFFFAOYSA-N -1 0 306.387 2.667 50 30 DFEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2ccccc2F)c1 ZINC000004635769 304263412 /nfs/dbraw/zinc/26/34/12/304263412.db2.gz HJXSEHIQHIKRES-RQZCQDPDSA-N -1 0 317.345 2.844 50 30 DFEARM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1cncc(F)c1 ZINC000096491215 256555669 /nfs/dbraw/zinc/55/56/69/256555669.db2.gz WJPWMBSKSJWYGS-LLVKDONJSA-N -1 0 316.398 2.874 50 30 DFEARM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(-c2ccsc2)s1 ZINC000102758169 256573127 /nfs/dbraw/zinc/57/31/27/256573127.db2.gz PKZSCJUYTNMWPZ-SNVBAGLBSA-N -1 0 319.411 2.719 50 30 DFEARM Cc1ccc(OCCC[N+]2c3ccccc3C(=N[O-])C2=O)cc1 ZINC000343516990 257261822 /nfs/dbraw/zinc/26/18/22/257261822.db2.gz WEKBUNLEBZHOAP-UHFFFAOYSA-N -1 0 310.353 2.954 50 30 DFEARM C=CCn1c(SCC(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000169296473 542754999 /nfs/dbraw/zinc/75/49/99/542754999.db2.gz GBIRATXNFQZFIA-UHFFFAOYSA-N -1 0 309.778 2.961 50 30 DFEARM Cc1c(C#N)cccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263081808 146416462 /nfs/dbraw/zinc/41/64/62/146416462.db2.gz RHZLHCPHCVJWHE-UHFFFAOYSA-N -1 0 301.346 2.632 50 30 DFEARM C=C(C)COc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000055099384 425892135 /nfs/dbraw/zinc/89/21/35/425892135.db2.gz KJLVEQJUIXSDDL-CQSZACIVSA-N -1 0 303.358 2.578 50 30 DFEARM CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000067456707 425910927 /nfs/dbraw/zinc/91/09/27/425910927.db2.gz ICQYXOWBEDROJY-OLZOCXBDSA-N -1 0 314.341 2.562 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1ccc2noc(-c3ccccc3)c2c1 ZINC000102389140 425919774 /nfs/dbraw/zinc/91/97/74/425919774.db2.gz YKBLQLNWXCBNHI-CQSZACIVSA-N -1 0 319.320 2.563 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1cc(Br)ccc1C ZINC000102708157 425926096 /nfs/dbraw/zinc/92/60/96/425926096.db2.gz NUCNKTMCCKGJDP-GFCCVEGCSA-N -1 0 323.190 2.606 50 30 DFEARM O=S(=O)(N=C([S-])NC1CCCCC1)c1cccs1 ZINC000000561661 425569191 /nfs/dbraw/zinc/56/91/91/425569191.db2.gz UQXBIJNLHMBWLH-UHFFFAOYSA-N -1 0 304.462 2.645 50 30 DFEARM O=C([N-]Cc1cccnc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002897840 425606619 /nfs/dbraw/zinc/60/66/19/425606619.db2.gz IXYZKAMLEHNPAI-UHFFFAOYSA-N -1 0 304.165 2.531 50 30 DFEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(C2CC2)c1=O ZINC000003251255 425613770 /nfs/dbraw/zinc/61/37/70/425613770.db2.gz CTXQJRITJYRBQB-UHFFFAOYSA-N -1 0 314.728 2.645 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)C=Cc1ccnc2ccccc12 ZINC000077958552 426153523 /nfs/dbraw/zinc/15/35/23/426153523.db2.gz ULFHCRVGJMXCBY-BQYQJAHWSA-N -1 0 304.371 2.944 50 30 DFEARM O=C(/C=C/N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000096137226 426399880 /nfs/dbraw/zinc/39/98/80/426399880.db2.gz QXSGJLSSEKEBCQ-ZHACJKMWSA-N -1 0 308.381 2.911 50 30 DFEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)c(Cl)c1 ZINC000096004204 426387378 /nfs/dbraw/zinc/38/73/78/426387378.db2.gz AUXNOQLAUIFWEL-UHFFFAOYSA-N -1 0 311.725 2.547 50 30 DFEARM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[N-]S(C)(=O)=O ZINC000096416146 426418572 /nfs/dbraw/zinc/41/85/72/426418572.db2.gz DFFRNOMAPMVNLZ-QMMMGPOBSA-N -1 0 309.309 2.800 50 30 DFEARM C[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc(Br)s1 ZINC000096441797 426425634 /nfs/dbraw/zinc/42/56/34/426425634.db2.gz IWMHDBQXURQPNS-RXMQYKEDSA-N -1 0 312.210 2.530 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000096442343 426427454 /nfs/dbraw/zinc/42/74/54/426427454.db2.gz RNSJOMAZGRQFHH-VHSXEESVSA-N -1 0 303.330 2.765 50 30 DFEARM Cn1cccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000096459842 426431221 /nfs/dbraw/zinc/43/12/21/426431221.db2.gz PBRJOCPPUJBLJI-UHFFFAOYSA-N -1 0 312.778 2.513 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2ccncc2)c(C)o1 ZINC000097035240 426442081 /nfs/dbraw/zinc/44/20/81/426442081.db2.gz ZKMCNJWBHYELPS-UHFFFAOYSA-N -1 0 308.359 2.569 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000100005525 426480529 /nfs/dbraw/zinc/48/05/29/426480529.db2.gz FURULAWSZQWQKN-OBGWFSINSA-N -1 0 323.312 2.785 50 30 DFEARM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)ccc2n1 ZINC000101813897 426486382 /nfs/dbraw/zinc/48/63/82/426486382.db2.gz HEYKUPNQDRRQQZ-MRXNPFEDSA-N -1 0 321.380 2.925 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1[N+](=O)[O-] ZINC000179626174 426806692 /nfs/dbraw/zinc/80/66/92/426806692.db2.gz IWANEZORTLFYTM-UHFFFAOYSA-N -1 0 317.326 2.576 50 30 DFEARM N#Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000012889904 303195546 /nfs/dbraw/zinc/19/55/46/303195546.db2.gz BIBATPFGQPOGII-VXGBXAGGSA-N -1 0 304.733 2.817 50 30 DFEARM CC/N=C1\S[C@@H](CC(=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000027460209 520209102 /nfs/dbraw/zinc/20/91/02/520209102.db2.gz YNZCXRNZEXCJEH-ZSNVJIKNSA-N -1 0 312.778 2.639 50 30 DFEARM CCC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(C)nn(CCC)c1C ZINC000095414197 185358455 /nfs/dbraw/zinc/35/84/55/185358455.db2.gz RUKHJNXHDUYUII-SNVBAGLBSA-N -1 0 315.439 2.733 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccs1)c1cccc2ncccc21 ZINC000095463411 185371261 /nfs/dbraw/zinc/37/12/61/185371261.db2.gz CBULJHINUKUDDU-UHFFFAOYSA-N -1 0 318.379 2.990 50 30 DFEARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N/n3cnnc3)o2)c1 ZINC000000565898 180822962 /nfs/dbraw/zinc/82/29/62/180822962.db2.gz NDKXYEWYHPKRNR-NGYBGAFCSA-N -1 0 316.704 2.772 50 30 DFEARM Oc1ccccc1C=NN1C(=S)N=NC1c1cccs1 ZINC000004050371 181066746 /nfs/dbraw/zinc/06/67/46/181066746.db2.gz HKQRZWKDKZSSOF-RIYZIHGNSA-N -1 0 302.384 2.883 50 30 DFEARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1C ZINC000004144488 181078822 /nfs/dbraw/zinc/07/88/22/181078822.db2.gz NUDROFHQXMCQBN-GHMZBOCLSA-N -1 0 304.371 2.842 50 30 DFEARM N#CC(=C([O-])C(=O)Nc1nccs1)c1ccc(Cl)cc1 ZINC000005715558 181276568 /nfs/dbraw/zinc/27/65/68/181276568.db2.gz VWWSEVYUBXKOHM-JTQLQIEISA-N -1 0 305.746 2.611 50 30 DFEARM N#Cc1ccc([O-])c(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000075093056 398785363 /nfs/dbraw/zinc/78/53/63/398785363.db2.gz NFZPPTDLTQQQKP-KRWDZBQOSA-N -1 0 308.337 2.906 50 30 DFEARM Cc1cccc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c1 ZINC000096487605 193667396 /nfs/dbraw/zinc/66/73/96/193667396.db2.gz VJHOCDLTWQWDID-UHFFFAOYSA-N -1 0 309.309 2.972 50 30 DFEARM CCOC(=O)c1sc(=Nc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000198713022 399197039 /nfs/dbraw/zinc/19/70/39/399197039.db2.gz LVLDWHGQWUBVDV-QORHXFOUSA-N -1 0 307.331 2.722 50 30 DFEARM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCC(C)C)c1 ZINC000058188758 184086218 /nfs/dbraw/zinc/08/62/18/184086218.db2.gz KLPNSMNDECRJNJ-UHFFFAOYSA-N -1 0 313.375 2.555 50 30 DFEARM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC000102700105 256572873 /nfs/dbraw/zinc/57/28/73/256572873.db2.gz WSLZXGZVMOZPGT-LLVKDONJSA-N -1 0 323.190 2.605 50 30 DFEARM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1(C)C ZINC000071822568 184854638 /nfs/dbraw/zinc/85/46/38/184854638.db2.gz WRXMTLKNSHEAPY-QWHCGFSZSA-N -1 0 314.451 2.912 50 30 DFEARM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1Br ZINC000102700108 425926154 /nfs/dbraw/zinc/92/61/54/425926154.db2.gz WSLZXGZVMOZPGT-NSHDSACASA-N -1 0 323.190 2.605 50 30 DFEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000000030384 425530639 /nfs/dbraw/zinc/53/06/39/425530639.db2.gz CJYYERAQGPGTAM-UHFFFAOYSA-N -1 0 324.383 2.666 50 30 DFEARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000000072189 425533524 /nfs/dbraw/zinc/53/35/24/425533524.db2.gz IYQNLRGHTMLACP-OVCLIPMQSA-N -1 0 306.325 2.986 50 30 DFEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000244541 425548145 /nfs/dbraw/zinc/54/81/45/425548145.db2.gz PPCLDLZRPIWVDQ-UHFFFAOYSA-N -1 0 318.354 2.604 50 30 DFEARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)cc1 ZINC000013187388 425750226 /nfs/dbraw/zinc/75/02/26/425750226.db2.gz BICGTLYMDRDAAT-MRXNPFEDSA-N -1 0 324.336 2.513 50 30 DFEARM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1(C)C ZINC000071822570 425992460 /nfs/dbraw/zinc/99/24/60/425992460.db2.gz WRXMTLKNSHEAPY-STQMWFEESA-N -1 0 314.451 2.912 50 30 DFEARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C)c1O ZINC000095964954 426378431 /nfs/dbraw/zinc/37/84/31/426378431.db2.gz HRUHXWGJULZXJC-UHFFFAOYSA-N -1 0 320.345 2.821 50 30 DFEARM Cc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1 ZINC000097049053 426443593 /nfs/dbraw/zinc/44/35/93/426443593.db2.gz VJKUDJSEUHJBHF-LBPRGKRZSA-N -1 0 322.386 2.648 50 30 DFEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccccc2C)C(=O)CC1(C)C ZINC000100673106 426483025 /nfs/dbraw/zinc/48/30/25/426483025.db2.gz UUUORTXBIWGDLY-WQTVUKCASA-N -1 0 315.369 2.648 50 30 DFEARM CC(C)c1nnc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)o1 ZINC000101811034 426486514 /nfs/dbraw/zinc/48/65/14/426486514.db2.gz IAWMKZJZSRUGMV-UHFFFAOYSA-N -1 0 317.393 2.897 50 30 DFEARM C=C(C)CN(C)C(=O)c1cccc(C(=O)N(C)CC(=C)C)c1[O-] ZINC000253424250 427207816 /nfs/dbraw/zinc/20/78/16/427207816.db2.gz CBIQTMWMMUGFAW-UHFFFAOYSA-N -1 0 316.401 2.688 50 30 DFEARM Cc1nnc([S-])n(N=Cc2ccc(-c3ccccc3)cc2)c1=O ZINC000254496905 427223154 /nfs/dbraw/zinc/22/31/54/427223154.db2.gz FKLDUZDGRLBWCC-UHFFFAOYSA-N -1 0 322.393 2.785 50 30 DFEARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncccc1C#N ZINC000097101384 323208905 /nfs/dbraw/zinc/20/89/05/323208905.db2.gz XHDYMDCRYDIHCH-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM C=C[C@H](CC(=O)[N-]S(=O)(=O)N1CCCC1)c1ccccc1 ZINC000095443161 337378389 /nfs/dbraw/zinc/37/83/89/337378389.db2.gz QETUTRBJKAFRDN-CYBMUJFWSA-N -1 0 308.403 2.643 50 30 DFEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(O)cc3)nnc2-1 ZINC000032609464 524969076 /nfs/dbraw/zinc/96/90/76/524969076.db2.gz NYCPTUXRMJTEJL-NVMNQCDNSA-N -1 0 318.340 2.966 50 30 DFEARM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000070008105 527178225 /nfs/dbraw/zinc/17/82/25/527178225.db2.gz AOXPXSSDGBUPCW-UHFFFAOYSA-N -1 0 321.373 2.897 50 30 DFEARM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594919 527194175 /nfs/dbraw/zinc/19/41/75/527194175.db2.gz NTRWWOOQVCFXHC-UHFFFAOYSA-N -1 0 307.346 2.855 50 30 DFEARM COc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000064611666 184301730 /nfs/dbraw/zinc/30/17/30/184301730.db2.gz ABHQXURXDXTHAZ-UHFFFAOYSA-N -1 0 302.330 2.540 50 30 DFEARM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1SCCc2ccccc21 ZINC000076910388 542476852 /nfs/dbraw/zinc/47/68/52/542476852.db2.gz VUDBROKFGTZWDT-CYBMUJFWSA-N -1 0 313.444 2.959 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000096442351 256556934 /nfs/dbraw/zinc/55/69/34/256556934.db2.gz CMVVBCHPDHLEJO-ONGXEEELSA-N -1 0 303.330 2.765 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000100752491 256565313 /nfs/dbraw/zinc/56/53/13/256565313.db2.gz HPXILOJXBHLVLC-VIFPVBQESA-N -1 0 319.773 2.532 50 30 DFEARM C#CCOc1ccc(OC)cc1-c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000055132216 425892123 /nfs/dbraw/zinc/89/21/23/425892123.db2.gz HVHSBQIKARYBBR-UHFFFAOYSA-N -1 0 322.320 2.949 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(C)C)C(=O)O1 ZINC000102970756 425932629 /nfs/dbraw/zinc/93/26/29/425932629.db2.gz OJVKGRKGNXCYAF-JJEJIETFSA-N -1 0 314.337 2.702 50 30 DFEARM C=CCn1c(COc2ccccc2C)nnc1SCC(=O)[O-] ZINC000002887567 425606510 /nfs/dbraw/zinc/60/65/10/425606510.db2.gz PHBYUCBEUSHEID-UHFFFAOYSA-N -1 0 319.386 2.528 50 30 DFEARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007057440 425634807 /nfs/dbraw/zinc/63/48/07/425634807.db2.gz PQLTYUYDHIVIFZ-UHFFFAOYSA-N -1 0 302.355 2.758 50 30 DFEARM N#Cc1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000012940519 425743085 /nfs/dbraw/zinc/74/30/85/425743085.db2.gz DJDQRGCPFJKQCN-UHFFFAOYSA-N -1 0 312.350 2.987 50 30 DFEARM N#Cc1ccc([C@H](NCc2ccccc2)[P@](=O)([O-])O)cc1 ZINC000012997458 425744540 /nfs/dbraw/zinc/74/45/40/425744540.db2.gz JCFZIZYTCYSFRD-OAHLLOKOSA-N -1 0 302.270 2.524 50 30 DFEARM C=CCN1C(=O)/C(=C\c2ccccc2C(=O)[O-])SC1=S ZINC000012343726 425723474 /nfs/dbraw/zinc/72/34/74/425723474.db2.gz JJVLYLWJPLEWPM-DHZHZOJOSA-N -1 0 305.380 2.772 50 30 DFEARM C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2[O-])SC1=S ZINC000013551638 425755662 /nfs/dbraw/zinc/75/56/62/425755662.db2.gz GBVNIERPTKVKGH-JXMROGBWSA-N -1 0 322.367 2.688 50 30 DFEARM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000026546696 425812937 /nfs/dbraw/zinc/81/29/37/425812937.db2.gz IQPKCFWCLPERJJ-UHFFFAOYSA-N -1 0 306.318 2.507 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@H]1CC=CCC1 ZINC000048638008 425876312 /nfs/dbraw/zinc/87/63/12/425876312.db2.gz KNYWMJDXNPJODC-VIFPVBQESA-N -1 0 323.399 2.693 50 30 DFEARM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Cl)cc1 ZINC000103503491 425951874 /nfs/dbraw/zinc/95/18/74/425951874.db2.gz JOIGSYWYBXUDRF-OAHLLOKOSA-N -1 0 312.756 2.979 50 30 DFEARM CC[C@H]1CCCCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000075503615 426075152 /nfs/dbraw/zinc/07/51/52/426075152.db2.gz YGRDEIHZAXMYCN-LBPRGKRZSA-N -1 0 319.430 2.763 50 30 DFEARM N#Cc1nc(NC(=O)c2cc(F)c(Cl)cc2Cl)[n-]c1C#N ZINC000075555453 426076843 /nfs/dbraw/zinc/07/68/43/426076843.db2.gz CECNVYLEHCQPHQ-UHFFFAOYSA-N -1 0 324.102 2.851 50 30 DFEARM N#Cc1cc([O-])c(-c2c(=O)[nH][nH]c2-c2ccccc2)cc1C#N ZINC000096336951 426413529 /nfs/dbraw/zinc/41/35/29/426413529.db2.gz VBLRILQMKBOGPH-UHFFFAOYSA-N -1 0 302.293 2.898 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000096442344 426427008 /nfs/dbraw/zinc/42/70/08/426427008.db2.gz RNSJOMAZGRQFHH-UWVGGRQHSA-N -1 0 303.330 2.765 50 30 DFEARM CCC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1 ZINC000096493306 426435746 /nfs/dbraw/zinc/43/57/46/426435746.db2.gz AJHDYQZQBMYRLW-LBPRGKRZSA-N -1 0 321.402 2.695 50 30 DFEARM CCc1ccc2nc3[n-]c(NN=Cc4cccn4C)nnc-3c2c1 ZINC000252597027 427190655 /nfs/dbraw/zinc/19/06/55/427190655.db2.gz CNYIXTJBBCSFNV-UHFFFAOYSA-N -1 0 319.372 2.853 50 30 DFEARM Cc1cccc(N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1O ZINC000252605340 427191475 /nfs/dbraw/zinc/19/14/75/427191475.db2.gz GIZXNAQGPNDVHX-UHFFFAOYSA-N -1 0 317.257 2.973 50 30 DFEARM N#CC1(NC(=O)CSc2ccccc2C(=O)[O-])CCCCC1 ZINC000012978319 303146345 /nfs/dbraw/zinc/14/63/45/303146345.db2.gz LJNLNEQBUXTUCD-UHFFFAOYSA-N -1 0 318.398 2.820 50 30 DFEARM N#Cc1c(SCC(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O ZINC000003845265 303177823 /nfs/dbraw/zinc/17/78/23/303177823.db2.gz GQTKHLVKIYKHHG-UHFFFAOYSA-N -1 0 323.329 2.510 50 30 DFEARM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000097236995 323209304 /nfs/dbraw/zinc/20/93/04/323209304.db2.gz WSPFUXFVJZEZPD-JTQLQIEISA-N -1 0 311.297 2.663 50 30 DFEARM N#Cc1cccc(C2(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)c1 ZINC000390833023 323342513 /nfs/dbraw/zinc/34/25/13/323342513.db2.gz ATSPUPHGZAGKGL-UHFFFAOYSA-N -1 0 323.308 2.591 50 30 DFEARM CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000049135752 521677967 /nfs/dbraw/zinc/67/79/67/521677967.db2.gz ILFJFOGURPVKFS-UHFFFAOYSA-N -1 0 323.773 2.941 50 30 DFEARM N#CCOc1ccc(/C(Cc2ccccc2F)=N\[O-])c(O)c1 ZINC000020735451 526472786 /nfs/dbraw/zinc/47/27/86/526472786.db2.gz RACDGDAJLZYGTK-CYVLTUHYSA-N -1 0 300.289 2.855 50 30 DFEARM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000097017819 185397794 /nfs/dbraw/zinc/39/77/94/185397794.db2.gz JWGDIVLYMBALER-AWEZNQCLSA-N -1 0 322.364 2.921 50 30 DFEARM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000000074790 180684974 /nfs/dbraw/zinc/68/49/74/180684974.db2.gz NZYVCSYWTJKEQX-UHFFFAOYSA-N -1 0 302.355 2.758 50 30 DFEARM N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)[O-])c1 ZINC000003491365 181026739 /nfs/dbraw/zinc/02/67/39/181026739.db2.gz VJDITWKEMWCZTC-UHFFFAOYSA-N -1 0 312.350 2.987 50 30 DFEARM COC(=O)c1c(C)[nH]c(C=NNc2ccc(C(=O)[O-])cc2)c1C ZINC000005034806 181194484 /nfs/dbraw/zinc/19/44/84/181194484.db2.gz HYMWZTGDYOMOLT-CAOOACKPSA-N -1 0 315.329 2.562 50 30 DFEARM O=C([O-])COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000005322329 181228659 /nfs/dbraw/zinc/22/86/59/181228659.db2.gz NIPNXIWTGICAOT-CHHVJCJISA-N -1 0 314.268 2.905 50 30 DFEARM COc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1OC ZINC000005352557 181233817 /nfs/dbraw/zinc/23/38/17/181233817.db2.gz DFAUPNODZLUXMH-LICLKQGHSA-N -1 0 300.314 2.848 50 30 DFEARM Cc1cc(-c2n[n-]c(=S)n2N=Cc2sccc2C)n[nH]1 ZINC000005626150 181265257 /nfs/dbraw/zinc/26/52/57/181265257.db2.gz PJCWBMDCWGHWDJ-AWNIVKPZSA-N -1 0 304.404 2.891 50 30 DFEARM FC(F)c1n[n-]c(=S)n1N=Cc1c[nH]nc1-c1ccccc1 ZINC000006414260 181338835 /nfs/dbraw/zinc/33/88/35/181338835.db2.gz VLSTUNSDTUQZQS-REZTVBANSA-N -1 0 320.328 2.777 50 30 DFEARM CCc1cc(=O)oc2c(C)c([O-])c(C(=O)/C=C/N(C)C)cc12 ZINC000013685016 181879370 /nfs/dbraw/zinc/87/93/70/181879370.db2.gz SWPVQWUMQJYFQX-VOTSOKGWSA-N -1 0 301.342 2.627 50 30 DFEARM O=C1/C(=N\[O-])c2ccccc2N1CCOc1ccc(Cl)cc1 ZINC000039853887 183022653 /nfs/dbraw/zinc/02/26/53/183022653.db2.gz NFVQVNBSHCJQAL-SDXDJHTJSA-N -1 0 316.744 2.944 50 30 DFEARM CC(C)(C)C(=O)N1CCC(N=Nc2ccccc2C(=O)[O-])CC1 ZINC000054872840 542451998 /nfs/dbraw/zinc/45/19/98/542451998.db2.gz UIUSEQMEJPRIPS-UHFFFAOYSA-N -1 0 317.389 2.821 50 30 DFEARM CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(NCCC(=O)[O-])C1 ZINC000100142092 256560863 /nfs/dbraw/zinc/56/08/63/256560863.db2.gz DUQOZCMABOECBG-UHFFFAOYSA-N -1 0 315.369 2.577 50 30 DFEARM CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](C)c1c(F)cccc1F ZINC000095450058 257272139 /nfs/dbraw/zinc/27/21/39/257272139.db2.gz DLYIGYMCBLOYQM-SECBINFHSA-N -1 0 320.361 2.611 50 30 DFEARM CC(C)NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000000071699 425533026 /nfs/dbraw/zinc/53/30/26/425533026.db2.gz WGQHMSRGMJRWSW-LHHJGKSTSA-N -1 0 306.218 2.905 50 30 DFEARM COc1ccccc1NC(=O)N=S(=O)([O-])c1ccc(C)cc1 ZINC000000203300 425545002 /nfs/dbraw/zinc/54/50/02/425545002.db2.gz OSDDXCNVJRLOAE-UHFFFAOYSA-N -1 0 320.370 2.718 50 30 DFEARM CC[C@]1(C)Cc2c(C#N)c(NC(=O)CCC(=O)[O-])sc2CO1 ZINC000000530480 425566766 /nfs/dbraw/zinc/56/67/66/425566766.db2.gz FLHAQYLDRODBIJ-OAHLLOKOSA-N -1 0 322.386 2.664 50 30 DFEARM COCCOc1ccc(/N=C/c2ccccc2O)cc1C(=O)[O-] ZINC000003126691 425610655 /nfs/dbraw/zinc/61/06/55/425610655.db2.gz RIMVWHPNRMOADG-WOJGMQOQSA-N -1 0 315.325 2.866 50 30 DFEARM CCCCCCCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000002255681 425590977 /nfs/dbraw/zinc/59/09/77/425590977.db2.gz YBXIUMABIGOYHR-UHFFFAOYSA-N -1 0 302.374 2.934 50 30 DFEARM C=CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000002886054 425607422 /nfs/dbraw/zinc/60/74/22/425607422.db2.gz OXTBXBFPLXDRIK-SNVBAGLBSA-N -1 0 319.386 2.705 50 30 DFEARM C[C@@H](C(=O)[O-])c1ccc(N2CC(=O)C(c3ccccc3)=C2N)cc1 ZINC000003209663 425611690 /nfs/dbraw/zinc/61/16/90/425611690.db2.gz XAFFTECDEYKDQJ-GFCCVEGCSA-N -1 0 322.364 2.591 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2cccc(F)c2)cc1 ZINC000000273339 425550287 /nfs/dbraw/zinc/55/02/87/425550287.db2.gz VVUDFMUDFGTWMJ-UHFFFAOYSA-N -1 0 308.334 2.849 50 30 DFEARM CCCCn1cc(C(=O)c2cc(C)ccc2[O-])cc(C#N)c1=O ZINC000003251460 425613429 /nfs/dbraw/zinc/61/34/29/425613429.db2.gz AYAYWANQOGVFJN-UHFFFAOYSA-N -1 0 310.353 2.765 50 30 DFEARM COc1cc(/C=C/C(=O)c2ccc(C)o2)ccc1OCC(=O)[O-] ZINC000012804836 425738722 /nfs/dbraw/zinc/73/87/22/425738722.db2.gz VQPFNHFYLYNDGV-GQCTYLIASA-N -1 0 316.309 2.956 50 30 DFEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccc(C)cc2)C(=O)CC1(C)C ZINC000103694514 425953262 /nfs/dbraw/zinc/95/32/62/425953262.db2.gz YYVKYUJHAMWYSA-VSKPTYQZSA-N -1 0 315.369 2.648 50 30 DFEARM CC(C)=CCOc1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000076082929 426099580 /nfs/dbraw/zinc/09/95/80/426099580.db2.gz KGHIWWRUMHFJGL-UHFFFAOYSA-N -1 0 321.340 2.750 50 30 DFEARM C[C@H](C(=O)[O-])n1cc(-c2ccccc2C#Cc2ccccc2)nn1 ZINC000095358563 426367749 /nfs/dbraw/zinc/36/77/49/426367749.db2.gz OYIHJWTZKRTIOC-CQSZACIVSA-N -1 0 317.348 2.991 50 30 DFEARM C=CCCC(=O)[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000097107221 426449103 /nfs/dbraw/zinc/44/91/03/426449103.db2.gz KSXAQFWWZVHDLJ-UHFFFAOYSA-N -1 0 313.423 2.767 50 30 DFEARM CC(=O)N(c1ccccc1)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000100429190 426482274 /nfs/dbraw/zinc/48/22/74/426482274.db2.gz CHRBJPDPEDXTBF-UHFFFAOYSA-N -1 0 307.305 2.888 50 30 DFEARM O=C1C(=N[O-])c2ccccc2N1CCOc1ccc(Cl)cc1 ZINC000252458512 427172506 /nfs/dbraw/zinc/17/25/06/427172506.db2.gz NFVQVNBSHCJQAL-UHFFFAOYSA-N -1 0 316.744 2.944 50 30 DFEARM CC(=O)On1cc([O-])c2c1ccc(Br)c2Cl ZINC000077269975 275799240 /nfs/dbraw/zinc/79/92/40/275799240.db2.gz ONJZVDBBKPYWFM-UHFFFAOYSA-N -1 0 304.527 2.583 50 30 in-vitro DFEARM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21 ZINC000071905094 519774178 /nfs/dbraw/zinc/77/41/78/519774178.db2.gz DFZPXOVMLCCFDT-YPMHNXCESA-N -1 0 311.403 2.884 50 30 DFEARM C=C(C)CN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000071185155 190938349 /nfs/dbraw/zinc/93/83/49/190938349.db2.gz VZQQBNFCPCIDOK-UHFFFAOYSA-N -1 0 324.446 2.877 50 30 DFEARM CC/N=C1\S/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)N1CC ZINC000004291598 181093749 /nfs/dbraw/zinc/09/37/49/181093749.db2.gz HPBMOCKZRVMJFE-SIDRHLKMSA-N -1 0 304.371 2.697 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1[N+](=O)[O-] ZINC000004844954 181161988 /nfs/dbraw/zinc/16/19/88/181161988.db2.gz WSVVCIIYKSVYPM-UHFFFAOYSA-N -1 0 317.326 2.576 50 30 DFEARM O=C([O-])c1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000004891416 181168452 /nfs/dbraw/zinc/16/84/52/181168452.db2.gz IJHBVMFIACHIBB-XSFVSMFZSA-N -1 0 323.396 2.537 50 30 DFEARM Cc1cc(-c2n[n-]c(=S)n2N=Cc2ccc(C)s2)n[nH]1 ZINC000005626025 181265159 /nfs/dbraw/zinc/26/51/59/181265159.db2.gz BEWBQJJGUXRXEE-AWNIVKPZSA-N -1 0 304.404 2.891 50 30 DFEARM COc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1 ZINC000006411080 181339340 /nfs/dbraw/zinc/33/93/40/181339340.db2.gz SGGIQLZOSWOTAA-VCHYOVAHSA-N -1 0 318.340 2.961 50 30 DFEARM O=C([O-])C#Cc1cc(Br)ccc1Br ZINC000164772737 398991045 /nfs/dbraw/zinc/99/10/45/398991045.db2.gz UBCPIUACSKQAMK-UHFFFAOYSA-N -1 0 303.937 2.648 50 30 DFEARM O=C([O-])c1ccc(NC(=O)C(O)=CC(=O)c2ccccc2)cc1 ZINC000006660519 181366968 /nfs/dbraw/zinc/36/69/68/181366968.db2.gz RWVYYJZMVVYUFT-GDNBJRDFSA-N -1 0 311.293 2.648 50 30 DFEARM CCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000059456806 399110388 /nfs/dbraw/zinc/11/03/88/399110388.db2.gz VSGSHGFDCDELKK-UHFFFAOYSA-N -1 0 301.371 2.819 50 30 DFEARM N#CCCN=c1sc2c(s1)c(O)c1ccccc1c2O ZINC000198756710 399196359 /nfs/dbraw/zinc/19/63/59/399196359.db2.gz IFCXNACQTGRDAS-CHWSQXEVSA-N -1 0 302.380 2.552 50 30 DFEARM CCn1cc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cn1 ZINC000058229968 184091189 /nfs/dbraw/zinc/09/11/89/184091189.db2.gz XILHVJYCHTWGFR-VOTSOKGWSA-N -1 0 314.341 2.653 50 30 DFEARM CCOc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000067456714 184466975 /nfs/dbraw/zinc/46/69/75/184466975.db2.gz FMNWUIBQECRFQV-UHFFFAOYSA-N -1 0 316.357 2.931 50 30 DFEARM CCc1sc(C([O-])=C(C#N)C(=O)N2CCSCC2)cc1C ZINC000102759056 256573280 /nfs/dbraw/zinc/57/32/80/256573280.db2.gz WZDOGGSHRCXORY-NSHDSACASA-N -1 0 322.455 2.517 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1cccc(Br)c1C ZINC000102708167 425925955 /nfs/dbraw/zinc/92/59/55/425925955.db2.gz OWOGPICNZQZAOJ-LLVKDONJSA-N -1 0 323.190 2.606 50 30 DFEARM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000102708218 425926250 /nfs/dbraw/zinc/92/62/50/425926250.db2.gz XPMLOECADPPSLA-GFCCVEGCSA-N -1 0 323.190 2.605 50 30 DFEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000045774211 425862528 /nfs/dbraw/zinc/86/25/28/425862528.db2.gz QURINVDWAKWJLH-UHFFFAOYSA-N -1 0 324.365 2.545 50 30 DFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1C ZINC000071892458 425999643 /nfs/dbraw/zinc/99/96/43/425999643.db2.gz DAXUGBQRLXKDMB-CQSZACIVSA-N -1 0 311.403 2.507 50 30 DFEARM CCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000103503866 425951443 /nfs/dbraw/zinc/95/14/43/425951443.db2.gz FSHGAMWEERVGJV-INIZCTEOSA-N -1 0 314.385 2.857 50 30 DFEARM N#Cc1cccnc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000170600123 426139360 /nfs/dbraw/zinc/13/93/60/426139360.db2.gz FDWAKQFJPOESOP-UHFFFAOYSA-N -1 0 311.725 2.547 50 30 DFEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000096404477 426415139 /nfs/dbraw/zinc/41/51/39/426415139.db2.gz TYTQYCCVOPYAJO-UXBLZVDNSA-N -1 0 313.375 2.705 50 30 DFEARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1 ZINC000123411674 426431910 /nfs/dbraw/zinc/43/19/10/426431910.db2.gz HXJGQKDQUXRJJZ-LLVKDONJSA-N -1 0 318.402 2.606 50 30 DFEARM CCC(CC)n1nc(C(=O)[N-]S(=O)(=O)CC(C)C)cc1C ZINC000096494219 426435894 /nfs/dbraw/zinc/43/58/94/426435894.db2.gz VZCRCIDWZLPRSC-UHFFFAOYSA-N -1 0 315.439 2.843 50 30 DFEARM Cc1nscc1C([O-])=C(C#N)c1nnc(-c2ccccc2)n1C ZINC000097138752 426452556 /nfs/dbraw/zinc/45/25/56/426452556.db2.gz ILGIXBMEGIESNC-GFCCVEGCSA-N -1 0 323.381 2.737 50 30 DFEARM CCOC(=O)/C(=N/[O-])C1=NC(C)(C)Cc2cc(C)c(C)cc21 ZINC000100441653 426481842 /nfs/dbraw/zinc/48/18/42/426481842.db2.gz KMYBVHNBKGNQDJ-XDJHFCHBSA-N -1 0 302.374 2.821 50 30 DFEARM CC(C)(C)c1[n-]n(Cc2noc(C3CC3)n2)c(=O)c1CCC#N ZINC000101811044 426486496 /nfs/dbraw/zinc/48/64/96/426486496.db2.gz BFCQAGFJEWSVOK-UHFFFAOYSA-N -1 0 315.377 2.651 50 30 DFEARM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000225554032 426606835 /nfs/dbraw/zinc/60/68/35/426606835.db2.gz PLYSCUZQAJJUDB-UHFFFAOYSA-N -1 0 319.361 2.848 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000005725684 303178954 /nfs/dbraw/zinc/17/89/54/303178954.db2.gz ZZXXMONTRRJGDO-WDEREUQCSA-N -1 0 316.382 2.714 50 30 DFEARM CN(CC(=O)[N-]S(=O)(=O)c1ccsc1)Cc1ccccc1 ZINC000089984087 332081518 /nfs/dbraw/zinc/08/15/18/332081518.db2.gz BNVXHBOTQRSHLF-UHFFFAOYSA-N -1 0 324.427 2.525 50 30 DFEARM C=CCN(C(=O)c1cccc(NCC(=O)[O-])c1)C1CCCC1 ZINC000055576289 518739176 /nfs/dbraw/zinc/73/91/76/518739176.db2.gz GELDTXOUWNLRBG-UHFFFAOYSA-N -1 0 302.374 2.754 50 30 DFEARM N#CC(=C([O-])c1cn(-c2ccccc2Cl)nn1)c1ccccn1 ZINC000057741325 526494892 /nfs/dbraw/zinc/49/48/92/526494892.db2.gz DFFIUAISSUJCIX-LLVKDONJSA-N -1 0 323.743 2.806 50 30 DFEARM N#CCc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000299751832 563938848 /nfs/dbraw/zinc/93/88/48/563938848.db2.gz RYCQRTHFVBDCLV-IMJJTQAJSA-N -1 0 312.369 2.611 50 30 DFEARM Cc1ccc2nc3[n-]c(NN=Cc4cccc(O)c4)nnc-3c2c1 ZINC000005008846 181189945 /nfs/dbraw/zinc/18/99/45/181189945.db2.gz VFDSRLXUKVIVEZ-GIJQJNRQSA-N -1 0 318.340 2.966 50 30 DFEARM COc1ccc(Nc2sc3c([nH]c(=O)cc3[O-])c2C#N)cc1 ZINC000005800076 181285091 /nfs/dbraw/zinc/28/50/91/181285091.db2.gz VBSIJDXYHJTRMV-UHFFFAOYSA-N -1 0 313.338 2.919 50 30 DFEARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000013839799 304137891 /nfs/dbraw/zinc/13/78/91/304137891.db2.gz FMMCEXVCWYTNEH-IRXDYDNUSA-N -1 0 309.390 2.875 50 30 DFEARM COc1ccc(-c2ccc(C#N)c(SCC(=O)[O-])n2)cc1 ZINC000012249720 181743954 /nfs/dbraw/zinc/74/39/54/181743954.db2.gz OKQQKBRXMUABNE-UHFFFAOYSA-N -1 0 300.339 2.806 50 30 DFEARM N#Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000012889888 181807845 /nfs/dbraw/zinc/80/78/45/181807845.db2.gz BIBATPFGQPOGII-NWDGAFQWSA-N -1 0 304.733 2.817 50 30 DFEARM O=[N+]([O-])c1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1 ZINC000017124595 182076671 /nfs/dbraw/zinc/07/66/71/182076671.db2.gz HDDWZAKSAFOLRS-RIYZIHGNSA-N -1 0 315.314 2.991 50 30 DFEARM O=[N+]([O-])C(Br)=N[N-]c1ccc(Br)cc1 ZINC000020458006 182220077 /nfs/dbraw/zinc/22/00/77/182220077.db2.gz CGTVGEOYAYPHCM-YRNVUSSQSA-N -1 0 322.944 2.804 50 30 DFEARM Cc1ccc(OCCCN2c3ccccc3/C(=N/[O-])C2=O)cc1 ZINC000039853897 183022510 /nfs/dbraw/zinc/02/25/10/183022510.db2.gz GJWWMRDHHLEGEP-ZPHPHTNESA-N -1 0 310.353 2.989 50 30 DFEARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000042338895 183255921 /nfs/dbraw/zinc/25/59/21/183255921.db2.gz LZGOPMABIYGJGG-UHFFFAOYSA-N -1 0 313.375 2.539 50 30 DFEARM CCC=C(C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078556464 542481982 /nfs/dbraw/zinc/48/19/82/542481982.db2.gz JBYUJPLPEGMDFJ-WMZJFQQLSA-N -1 0 312.347 2.737 50 30 DFEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000078556447 542482446 /nfs/dbraw/zinc/48/24/46/542482446.db2.gz TYTQYCCVOPYAJO-POHAHGRESA-N -1 0 313.375 2.705 50 30 DFEARM COC(=O)c1ccccc1N=Cc1c([O-])c2ccccc2oc1=O ZINC000100642435 256564578 /nfs/dbraw/zinc/56/45/78/256564578.db2.gz JITMEGQNDVZMPF-RAXLEYEMSA-N -1 0 323.304 2.571 50 30 DFEARM CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1c(F)cccc1F ZINC000095450057 257272230 /nfs/dbraw/zinc/27/22/30/257272230.db2.gz DLYIGYMCBLOYQM-VIFPVBQESA-N -1 0 320.361 2.611 50 30 DFEARM Cc1ccc2c(c1)C(=N[O-])C(=O)[N+]2CCOc1cccc(C)c1 ZINC000343516978 257261714 /nfs/dbraw/zinc/26/17/14/257261714.db2.gz UAZSBMUVLLKFEX-UHFFFAOYSA-N -1 0 310.353 2.873 50 30 DFEARM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc21 ZINC000071905090 184898196 /nfs/dbraw/zinc/89/81/96/184898196.db2.gz DFZPXOVMLCCFDT-DGCLKSJQSA-N -1 0 311.403 2.884 50 30 DFEARM CCOC(=O)/C(=N\[O-])C1=NC(C)(C)Cc2cc(C)c(C)cc21 ZINC000085434150 285628636 /nfs/dbraw/zinc/62/86/36/285628636.db2.gz KMYBVHNBKGNQDJ-CYVLTUHYSA-N -1 0 302.374 2.821 50 30 DFEARM C=C(C)COc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000055099382 425892051 /nfs/dbraw/zinc/89/20/51/425892051.db2.gz KJLVEQJUIXSDDL-AWEZNQCLSA-N -1 0 303.358 2.578 50 30 DFEARM COc1c(F)cc([N-]S(=O)(=O)c2ccccc2C#N)cc1F ZINC000055682628 425894455 /nfs/dbraw/zinc/89/44/55/425894455.db2.gz QFWSCCBXZFOYKJ-UHFFFAOYSA-N -1 0 324.308 2.646 50 30 DFEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3c(c2)OCCO3)c1 ZINC000000553209 425568348 /nfs/dbraw/zinc/56/83/48/425568348.db2.gz ANWHFOMRVRAHSU-CXUHLZMHSA-N -1 0 300.270 2.822 50 30 DFEARM O=C([O-])COc1ccc2c(c1)O/C(=C/c1cccs1)C2=O ZINC000002330348 425593389 /nfs/dbraw/zinc/59/33/89/425593389.db2.gz HHFRACDVWIASET-NTUHNPAUSA-N -1 0 302.307 2.828 50 30 DFEARM C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])SC1=S ZINC000012343640 425723131 /nfs/dbraw/zinc/72/31/31/425723131.db2.gz GBVNIERPTKVKGH-YFHOEESVSA-N -1 0 322.367 2.688 50 30 DFEARM C=CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=S ZINC000012343681 425723779 /nfs/dbraw/zinc/72/37/79/425723779.db2.gz LOJZMWZBNYOZJW-DHZHZOJOSA-N -1 0 305.380 2.772 50 30 DFEARM O=S([O-])(=NC(=S)Nc1ccccc1)c1ccc(F)cc1 ZINC000013545205 425755299 /nfs/dbraw/zinc/75/52/99/425755299.db2.gz PEOLAEKUTCRUCX-UHFFFAOYSA-N -1 0 310.375 2.912 50 30 DFEARM CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000048459336 425875665 /nfs/dbraw/zinc/87/56/65/425875665.db2.gz FRDVGSUDOCGJEC-UHFFFAOYSA-N -1 0 321.345 2.673 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)c(C)c1 ZINC000048476849 425875674 /nfs/dbraw/zinc/87/56/74/425875674.db2.gz ISKNYIIGFOGNJV-CYBMUJFWSA-N -1 0 311.403 2.908 50 30 DFEARM CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000048535680 425875898 /nfs/dbraw/zinc/87/58/98/425875898.db2.gz GPLVWWGPSHBMHG-UHFFFAOYSA-N -1 0 313.375 2.683 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000103732487 425953788 /nfs/dbraw/zinc/95/37/88/425953788.db2.gz JGFDHPKMKCCUEF-VIFPVBQESA-N -1 0 319.773 2.532 50 30 DFEARM COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1C#N ZINC000170639986 426141992 /nfs/dbraw/zinc/14/19/92/426141992.db2.gz NORCTKGLRPWSNW-GORDUTHDSA-N -1 0 305.293 2.702 50 30 DFEARM CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000078602919 426176998 /nfs/dbraw/zinc/17/69/98/426176998.db2.gz LURAMLAANOBGSJ-UHFFFAOYSA-N -1 0 311.309 2.896 50 30 DFEARM Cc1c(C([O-])=C(C#N)c2ccc(F)cn2)cnn1-c1ccccn1 ZINC000089545036 426296630 /nfs/dbraw/zinc/29/66/30/426296630.db2.gz FLZAKQSLJUKQNT-CYBMUJFWSA-N -1 0 321.315 2.600 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1ccc(F)cc1Br ZINC000096416204 426418277 /nfs/dbraw/zinc/41/82/77/426418277.db2.gz SNOSPVLLHVBHRL-UHFFFAOYSA-N -1 0 324.171 2.633 50 30 DFEARM N#Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1 ZINC000096474373 426432716 /nfs/dbraw/zinc/43/27/16/426432716.db2.gz YCUWHFHHXVZBCD-UHFFFAOYSA-N -1 0 316.386 2.740 50 30 DFEARM CC(C)C[C@H](C)S(=O)(=O)[N-]C(=O)CCc1cncc(F)c1 ZINC000096491217 426435482 /nfs/dbraw/zinc/43/54/82/426435482.db2.gz WJPWMBSKSJWYGS-NSHDSACASA-N -1 0 316.398 2.874 50 30 DFEARM N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000097237125 426462101 /nfs/dbraw/zinc/46/21/01/426462101.db2.gz MAMOFXMLINMUBP-GFCCVEGCSA-N -1 0 303.318 2.503 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000100005771 426480664 /nfs/dbraw/zinc/48/06/64/426480664.db2.gz QRMNCEZIEKLMPK-SDXDJHTJSA-N -1 0 323.312 2.785 50 30 DFEARM COc1cccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000100428604 426482249 /nfs/dbraw/zinc/48/22/49/426482249.db2.gz VDKKHGZGMCUAPW-MNDPQUGUSA-N -1 0 308.341 2.886 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C#N)cc1 ZINC000100512842 426482945 /nfs/dbraw/zinc/48/29/45/426482945.db2.gz LZOBSXUXVXYMGO-SILNSSARSA-N -1 0 303.325 2.749 50 30 DFEARM C=CCn1c(=O)c(C(=O)NC2CCCC2)c([O-])c2ccccc21 ZINC000101253668 426483859 /nfs/dbraw/zinc/48/38/59/426483859.db2.gz KGYHJFUPVYFZTC-UHFFFAOYSA-N -1 0 312.369 2.566 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)nc1C ZINC000102051169 426487712 /nfs/dbraw/zinc/48/77/12/426487712.db2.gz BMRICGVDNGNUMS-MRXNPFEDSA-N -1 0 321.380 2.906 50 30 DFEARM CCc1nc2cc(NC(=O)c3cc(C#N)c(N)cc3[O-])ccc2o1 ZINC000225808306 426611793 /nfs/dbraw/zinc/61/17/93/426611793.db2.gz TWVKJTXUWMQPIO-UHFFFAOYSA-N -1 0 322.324 2.802 50 30 DFEARM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245934658 426785141 /nfs/dbraw/zinc/78/51/41/426785141.db2.gz RFIIWUPDNRWCMJ-LXTVHRRPSA-N -1 0 313.401 2.918 50 30 DFEARM C=C1CCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC000263292783 427454163 /nfs/dbraw/zinc/45/41/63/427454163.db2.gz RLJPMVWNZYYLFX-UHFFFAOYSA-N -1 0 303.358 2.559 50 30 DFEARM Cc1ccc2c(c1)C(=N[O-])C(=O)N2CCCOc1ccccc1 ZINC000263628719 427528967 /nfs/dbraw/zinc/52/89/67/427528967.db2.gz BBRBXDUXWOBPPC-UHFFFAOYSA-N -1 0 310.353 2.989 50 30 DFEARM C=CCOC[C@@H](CCNC(=O)OCc1ccccc1)CC(=O)[O-] ZINC000536954244 430171875 /nfs/dbraw/zinc/17/18/75/430171875.db2.gz OUYYWOKOJRLSSB-HNNXBMFYSA-N -1 0 321.373 2.596 50 30 DFEARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C#N)c1C ZINC000004144480 302880732 /nfs/dbraw/zinc/88/07/32/302880732.db2.gz NUDROFHQXMCQBN-MNOVXSKESA-N -1 0 304.371 2.842 50 30 DFEARM CS(=O)(=O)[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000070030090 525094790 /nfs/dbraw/zinc/09/47/90/525094790.db2.gz MBMMKBVCXOLAAL-UHFFFAOYSA-N -1 0 311.403 2.857 50 30 DFEARM COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000048594903 525761444 /nfs/dbraw/zinc/76/14/44/525761444.db2.gz RMYQTWZYUUSSHG-UHFFFAOYSA-N -1 0 305.355 2.530 50 30 DFEARM Cc1ccc2nc3[n-]c(NN=Cc4ccncc4)nnc-3c2c1 ZINC000033940911 526111072 /nfs/dbraw/zinc/11/10/72/526111072.db2.gz LXHKBUUTMDVKFG-NVMNQCDNSA-N -1 0 303.329 2.656 50 30 DFEARM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000097017821 185397695 /nfs/dbraw/zinc/39/76/95/185397695.db2.gz JWGDIVLYMBALER-CQSZACIVSA-N -1 0 322.364 2.921 50 30 DFEARM N#Cc1cccnc1N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072157962 191061027 /nfs/dbraw/zinc/06/10/27/191061027.db2.gz RWRXNQOJUYRVCV-CQSZACIVSA-N -1 0 307.353 2.720 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(C(F)(F)F)c2)C(=O)O1 ZINC000003543701 181032073 /nfs/dbraw/zinc/03/20/73/181032073.db2.gz KVAASMIHSKWFIU-VBROQKIQSA-N -1 0 324.254 2.934 50 30 DFEARM C=CCn1c(C)c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21 ZINC000004123370 181076851 /nfs/dbraw/zinc/07/68/51/181076851.db2.gz ZPXNVPZHKOVNMO-UHFFFAOYSA-N -1 0 309.325 2.725 50 30 DFEARM O=C1C([O-])=C(c2ccccc2)S(=O)(=O)[C@@H]1c1ccccc1 ZINC000004521450 181119795 /nfs/dbraw/zinc/11/97/95/181119795.db2.gz UIVWXNPUCAHAJX-OAHLLOKOSA-N -1 0 300.335 2.652 50 30 DFEARM COC(=O)c1sc(NC(=O)c2ccccc2[O-])c(C#N)c1C ZINC000004788482 181152440 /nfs/dbraw/zinc/15/24/40/181152440.db2.gz LUDGAXWLBVFJJU-UHFFFAOYSA-N -1 0 316.338 2.673 50 30 DFEARM O=c1oc2ccccc2c([O-])c1C=Nc1ccc2c(c1)OCO2 ZINC000004932219 181175252 /nfs/dbraw/zinc/17/52/52/181175252.db2.gz ODNRPKCFMQYGLI-WQLSENKSSA-N -1 0 309.277 2.513 50 30 DFEARM COc1ccc(C(=O)/C(=C\c2ccccc2)C(=O)C(=O)[O-])cc1 ZINC000008345964 181550942 /nfs/dbraw/zinc/55/09/42/181550942.db2.gz RBIMIPVZSKINTK-RVDMUPIBSA-N -1 0 310.305 2.615 50 30 DFEARM Cc1cccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)n1 ZINC000015015582 181983235 /nfs/dbraw/zinc/98/32/35/181983235.db2.gz NWODCELCAUIOAF-GIJQJNRQSA-N -1 0 317.356 2.964 50 30 DFEARM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000105640116 194117497 /nfs/dbraw/zinc/11/74/97/194117497.db2.gz DOMJLQZLCYNINJ-UXHZXRBQSA-N -1 0 314.337 2.704 50 30 DFEARM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)n(CCC#N)n1 ZINC000058304535 184102974 /nfs/dbraw/zinc/10/29/74/184102974.db2.gz MLIZPTGHSYUTQC-UHFFFAOYSA-N -1 0 318.402 2.523 50 30 DFEARM O=S1(=O)CC[C@@H]([N-]C(=S)SCc2cccc(F)c2)C1 ZINC000334158103 257214934 /nfs/dbraw/zinc/21/49/34/257214934.db2.gz PZGOHBHELLRPIC-LLVKDONJSA-P -1 0 320.456 2.678 50 30 DFEARM O=C1C(=N[O-])c2ccccc2[N+]1CCOc1ccc(Cl)cc1 ZINC000343516988 257261956 /nfs/dbraw/zinc/26/19/56/257261956.db2.gz VQDHBCIXENABHS-UHFFFAOYSA-N -1 0 316.744 2.909 50 30 DFEARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cccc(C#N)c1 ZINC000064980712 425902295 /nfs/dbraw/zinc/90/22/95/425902295.db2.gz MWILZIPQGVENHX-UHFFFAOYSA-N -1 0 311.341 2.568 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(C)C)C(=O)O1 ZINC000102970757 425932726 /nfs/dbraw/zinc/93/27/26/425932726.db2.gz OJVKGRKGNXCYAF-XZVRFQMRSA-N -1 0 314.337 2.702 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)N(C)C2CCCCC2)cc1 ZINC000000155274 425540892 /nfs/dbraw/zinc/54/08/92/425540892.db2.gz UOPCKEXFTPBZDO-UHFFFAOYSA-N -1 0 310.419 2.862 50 30 DFEARM Cc1nnc(SCC(=O)[O-])n1/N=C/c1ccc(C(C)C)cc1 ZINC000027525665 425816814 /nfs/dbraw/zinc/81/68/14/425816814.db2.gz LASQVZBCVULCNY-LZYBPNLTSA-N -1 0 318.402 2.769 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(C)C)C(=O)O1 ZINC000028605440 425822296 /nfs/dbraw/zinc/82/22/96/425822296.db2.gz OJVKGRKGNXCYAF-KBOKABMXSA-N -1 0 314.337 2.702 50 30 DFEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCc1ccco1 ZINC000048505531 425875931 /nfs/dbraw/zinc/87/59/31/425875931.db2.gz JBAQUECBZLWWBJ-UHFFFAOYSA-N -1 0 318.354 2.570 50 30 DFEARM CSCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000048514542 425875987 /nfs/dbraw/zinc/87/59/87/425875987.db2.gz UTOYDIIYXQRAPU-UHFFFAOYSA-N -1 0 313.322 2.714 50 30 DFEARM CC(C)CC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135789 425878530 /nfs/dbraw/zinc/87/85/30/425878530.db2.gz LKTNCGCMKYCLDK-UHFFFAOYSA-N -1 0 321.196 2.535 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1cccs1 ZINC000071803824 425990053 /nfs/dbraw/zinc/99/00/53/425990053.db2.gz RPIPHZKQOPMVQQ-UHFFFAOYSA-N -1 0 318.379 2.990 50 30 DFEARM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Cl)cc1 ZINC000103503489 425951712 /nfs/dbraw/zinc/95/17/12/425951712.db2.gz JOIGSYWYBXUDRF-HNNXBMFYSA-N -1 0 312.756 2.979 50 30 DFEARM N#CC(C(=O)c1ccco1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000103717366 425953716 /nfs/dbraw/zinc/95/37/16/425953716.db2.gz XFBNAEJUPNCAGR-LBPRGKRZSA-N -1 0 323.283 2.810 50 30 DFEARM Cc1cc(C)nc(C(C#N)=C([O-])c2ccc(Br)o2)n1 ZINC000075128396 426064147 /nfs/dbraw/zinc/06/41/47/426064147.db2.gz COSBPYMZXOOUJL-SECBINFHSA-N -1 0 320.146 2.939 50 30 DFEARM O=c1c2nn(-c3ccccc3)[n-]c-2ncc1N=Nc1ccccc1 ZINC000096319116 426414235 /nfs/dbraw/zinc/41/42/35/426414235.db2.gz IQNKEQHRUXPASR-ZHZULCJRSA-N -1 0 316.324 2.634 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1cc2ccc(C)cc2nc1C ZINC000096499660 426436538 /nfs/dbraw/zinc/43/65/38/426436538.db2.gz ZFJAWWMJANIHRI-UHFFFAOYSA-N -1 0 306.387 2.896 50 30 DFEARM Cc1ccccc1CS(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000097140316 426452552 /nfs/dbraw/zinc/45/25/52/426452552.db2.gz FLRAZVYXNFYRJW-UHFFFAOYSA-N -1 0 318.402 2.586 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000100700572 426483193 /nfs/dbraw/zinc/48/31/93/426483193.db2.gz IPERKEWLXOJVMH-LBPRGKRZSA-N -1 0 316.357 2.931 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)cc1F ZINC000100972154 426483449 /nfs/dbraw/zinc/48/34/49/426483449.db2.gz XNMSLSDLWXFCSS-CQSZACIVSA-N -1 0 314.291 2.700 50 30 DFEARM Cc1ccc2cc(C([O-])=C(C#N)C(=O)NC3CCCC3)ccc2n1 ZINC000101813906 426486345 /nfs/dbraw/zinc/48/63/45/426486345.db2.gz HEYKUPNQDRRQQZ-INIZCTEOSA-N -1 0 321.380 2.925 50 30 DFEARM CCOC(=O)c1c(C)nsc1[N-]N=C(C#N)C(=O)C(C)(C)C ZINC000252428599 427173442 /nfs/dbraw/zinc/17/34/42/427173442.db2.gz PWLNPXMNGCRRRT-UHFFFAOYSA-N -1 0 322.390 2.535 50 30 DFEARM CCOC(=O)C(=N[O-])C1=NC(C)(C)Cc2cc(C)c(C)cc21 ZINC000252617136 427190263 /nfs/dbraw/zinc/19/02/63/427190263.db2.gz KMYBVHNBKGNQDJ-UHFFFAOYSA-N -1 0 302.374 2.821 50 30 DFEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccccc3O)nnc2-1 ZINC000252619605 427190619 /nfs/dbraw/zinc/19/06/19/427190619.db2.gz LQVUOLVQEHIHMN-UHFFFAOYSA-N -1 0 318.340 2.966 50 30 DFEARM Cc1c(C)c2cc(C(=O)/C=C/N(C)C)c([O-])c(C)c2oc1=O ZINC000012898688 300951602 /nfs/dbraw/zinc/95/16/02/300951602.db2.gz ZWFCTGPTYBCYPB-VOTSOKGWSA-N -1 0 301.342 2.682 50 30 DFEARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)C1=CCCCCC1 ZINC000097164000 332193446 /nfs/dbraw/zinc/19/34/46/332193446.db2.gz ZCCHYEWTSZTHGQ-UHFFFAOYSA-N -1 0 311.407 2.573 50 30 DFEARM C=C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCCC1)c1ccccc1 ZINC000095443160 337378364 /nfs/dbraw/zinc/37/83/64/337378364.db2.gz QETUTRBJKAFRDN-ZDUSSCGKSA-N -1 0 308.403 2.643 50 30 DFEARM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1cccs1 ZINC000095460260 337378953 /nfs/dbraw/zinc/37/89/53/337378953.db2.gz LDTYLGLERFBKPU-UHFFFAOYSA-N -1 0 317.338 2.914 50 30 DFEARM O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1ccsc1 ZINC000095460283 337378988 /nfs/dbraw/zinc/37/89/88/337378988.db2.gz HDYLYRKZOQCMSD-UHFFFAOYSA-N -1 0 317.338 2.914 50 30 DFEARM Cc1cccc2c(CC(=O)[N-]S(=O)(=O)CC3CC3)c[nH]c21 ZINC000096422146 337381990 /nfs/dbraw/zinc/38/19/90/337381990.db2.gz ITVVJNYFIOAXSR-UHFFFAOYSA-N -1 0 306.387 2.715 50 30 DFEARM Cc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000082076654 524226791 /nfs/dbraw/zinc/22/67/91/524226791.db2.gz FVBKDEJOCLCHCX-INIZCTEOSA-N -1 0 312.369 2.695 50 30 DFEARM Cc1cc(N=NCc2cccnc2)nc(-c2ccccc2[O-])n1 ZINC000004957722 525044058 /nfs/dbraw/zinc/04/40/58/525044058.db2.gz LASPLHOIFSJPAA-YBFXNURJSA-N -1 0 305.341 2.999 50 30 DFEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)ccc1O ZINC000002700098 180947504 /nfs/dbraw/zinc/94/75/04/180947504.db2.gz JUVLLJVKQCZFLR-OVCLIPMQSA-N -1 0 316.342 2.797 50 30 DFEARM COc1cc([N+](=O)[O-])ccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000003897754 181054299 /nfs/dbraw/zinc/05/42/99/181054299.db2.gz UUAMEHIJJDXSEZ-OVCLIPMQSA-N -1 0 317.257 2.968 50 30 DFEARM O=c1[n-]c(NN=Cc2ccccc2F)nnc1-c1ccccc1 ZINC000004158762 181079456 /nfs/dbraw/zinc/07/94/56/181079456.db2.gz XYKVTYFDKRUCQM-VCHYOVAHSA-N -1 0 309.304 2.829 50 30 DFEARM CCCCC(CCCC)=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1 ZINC000004492343 181114620 /nfs/dbraw/zinc/11/46/20/181114620.db2.gz ZXEBKQYDKVBXKM-LLVKDONJSA-N -1 0 313.423 2.785 50 30 DFEARM Cc1ccc2nc3[n-]c(NN=Cc4ccc(O)cc4)nnc-3c2c1 ZINC000004577678 181126735 /nfs/dbraw/zinc/12/67/35/181126735.db2.gz WDDRIQWCNBAEQD-GIJQJNRQSA-N -1 0 318.340 2.966 50 30 DFEARM O=C([O-])COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005205029 181216099 /nfs/dbraw/zinc/21/60/99/181216099.db2.gz FVRDOSBEKUYWHU-CHHVJCJISA-N -1 0 314.268 2.905 50 30 DFEARM C=CCn1c(=O)c(C(=O)Nc2ccccn2)c([O-])c2ccccc21 ZINC000005685805 181272284 /nfs/dbraw/zinc/27/22/84/181272284.db2.gz PZNGEYNCBKMJJC-UHFFFAOYSA-N -1 0 321.336 2.540 50 30 DFEARM N#Cc1ccc([O-])c(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000075093055 398785135 /nfs/dbraw/zinc/78/51/35/398785135.db2.gz NFZPPTDLTQQQKP-QGZVFWFLSA-N -1 0 308.337 2.906 50 30 DFEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000091636871 193082131 /nfs/dbraw/zinc/08/21/31/193082131.db2.gz XBILHRIFTGEZDK-QGZVFWFLSA-N -1 0 323.339 2.777 50 30 DFEARM CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(C(F)(F)F)c1 ZINC000096474232 193660465 /nfs/dbraw/zinc/66/04/65/193660465.db2.gz RQTBYMPUXQWIEV-UHFFFAOYSA-N -1 0 324.324 2.597 50 30 DFEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccccc1Cl ZINC000019811338 182152791 /nfs/dbraw/zinc/15/27/91/182152791.db2.gz PLTGRLYAAVIJNZ-UHFFFAOYSA-N -1 0 309.778 2.961 50 30 DFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000048505067 183662763 /nfs/dbraw/zinc/66/27/63/183662763.db2.gz APLZWUIKJLRWAS-UHFFFAOYSA-N -1 0 314.366 2.701 50 30 DFEARM Cc1ccc(/N=C2/S[C@H](C(=O)[O-])CC(=O)N2C)cc1Cl ZINC000100262696 256562284 /nfs/dbraw/zinc/56/22/84/256562284.db2.gz ZVWDSIJEPXZSTJ-FIKMJJSBSA-N -1 0 312.778 2.684 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000103502559 256576160 /nfs/dbraw/zinc/57/61/60/256576160.db2.gz NDNCYHJCEOGKFS-LBPRGKRZSA-N -1 0 310.275 2.650 50 30 DFEARM COc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCC(=O)[O-] ZINC000007742246 425650803 /nfs/dbraw/zinc/65/08/03/425650803.db2.gz GCOQAEMTYDIDFV-RIYZIHGNSA-N -1 0 324.332 2.981 50 30 DFEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C)s2)n1 ZINC000007985632 425657648 /nfs/dbraw/zinc/65/76/48/425657648.db2.gz NEHBXQIQGLRKHV-SNVBAGLBSA-N -1 0 320.395 2.855 50 30 DFEARM COc1ccc(-c2nc(N3CCCCC3)[n-]c(=O)c2C#N)cc1 ZINC000005095555 425622165 /nfs/dbraw/zinc/62/21/65/425622165.db2.gz KLJALUXFJVMRGX-UHFFFAOYSA-N -1 0 310.357 2.720 50 30 DFEARM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1O ZINC000009361080 425685736 /nfs/dbraw/zinc/68/57/36/425685736.db2.gz JJOFSOYFIWZFQU-CXUHLZMHSA-N -1 0 312.354 2.901 50 30 DFEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000016149159 425785753 /nfs/dbraw/zinc/78/57/53/425785753.db2.gz GUWIXGBQBHVOCL-UHFFFAOYSA-N -1 0 324.308 2.960 50 30 DFEARM COc1cc([N+](=O)[O-])cc(/C=N/CCc2ccccc2)c1[O-] ZINC000025667144 425807502 /nfs/dbraw/zinc/80/75/02/425807502.db2.gz FBDRXIOTJJMFKX-GZTJUZNOSA-N -1 0 300.314 2.971 50 30 DFEARM Cc1cccc(C([O-])=C(C#N)C(=O)NCCc2ccccc2)c1C ZINC000103504301 425951337 /nfs/dbraw/zinc/95/13/37/425951337.db2.gz AVTAGHMCCARQFD-GOSISDBHSA-N -1 0 320.392 2.985 50 30 DFEARM N#CC(C(=O)c1ccco1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000103717361 425953430 /nfs/dbraw/zinc/95/34/30/425953430.db2.gz XFBNAEJUPNCAGR-GFCCVEGCSA-N -1 0 323.283 2.810 50 30 DFEARM Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)s1 ZINC000070008903 425965355 /nfs/dbraw/zinc/96/53/55/425965355.db2.gz PHCWTZHWKHGOAM-UHFFFAOYSA-N -1 0 310.400 2.762 50 30 DFEARM N#Cc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000170608331 426140008 /nfs/dbraw/zinc/14/00/08/426140008.db2.gz DVMBHOPKLCQPAJ-UHFFFAOYSA-N -1 0 311.725 2.547 50 30 DFEARM C[C@@H](C(=O)[O-])n1cc(-c2ccccc2C#Cc2ccccc2)nn1 ZINC000095358562 426367516 /nfs/dbraw/zinc/36/75/16/426367516.db2.gz OYIHJWTZKRTIOC-AWEZNQCLSA-N -1 0 317.348 2.991 50 30 DFEARM Cc1nscc1C([O-])=C(C#N)c1nnc(-c2ccccc2)n1C ZINC000097138755 426453147 /nfs/dbraw/zinc/45/31/47/426453147.db2.gz ILGIXBMEGIESNC-LBPRGKRZSA-N -1 0 323.381 2.737 50 30 DFEARM N#Cc1ccc2ncc(/C=C\c3ncc(/C=C\C(=O)[O-])s3)n2c1 ZINC000098056347 426477395 /nfs/dbraw/zinc/47/73/95/426477395.db2.gz VVBMSQQRPAHVLJ-SXUARNTMSA-N -1 0 322.349 2.931 50 30 DFEARM COc1ccc(C=CC([O-])=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100708411 426483173 /nfs/dbraw/zinc/48/31/73/426483173.db2.gz AQTXGQXUSWFBEN-RMKNXTFCSA-N -1 0 300.354 2.852 50 30 DFEARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000017031346 298309929 /nfs/dbraw/zinc/30/99/29/298309929.db2.gz KSHUBCHOWSZHOE-VIFPVBQESA-N -1 0 306.387 2.938 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000005725590 303178885 /nfs/dbraw/zinc/17/88/85/303178885.db2.gz NJMKBXYBPXZXPL-QWRGUYRKSA-N -1 0 318.398 2.938 50 30 DFEARM O=[N+]([O-])c1ccc([O-])c(C=NNc2ncnc3ccccc32)c1 ZINC000036067578 527370095 /nfs/dbraw/zinc/37/00/95/527370095.db2.gz WDWYLZBXOSYHBX-QGMBQPNBSA-N -1 0 309.285 2.690 50 30 DFEARM COc1ccccc1[C@H](C#N)NC(=O)c1c([O-])cccc1F ZINC000225397744 398347932 /nfs/dbraw/zinc/34/79/32/398347932.db2.gz QLANZSXYVBNQMB-LBPRGKRZSA-N -1 0 300.289 2.535 50 30 DFEARM Cc1cccc(C[C@@H](CNC(=O)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC000097018756 185398033 /nfs/dbraw/zinc/39/80/33/185398033.db2.gz SLOKPTFMSUAUOW-KRWDZBQOSA-N -1 0 322.364 2.540 50 30 DFEARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000000155143 180710272 /nfs/dbraw/zinc/71/02/72/180710272.db2.gz IJQCUWOLVFXDNL-UHFFFAOYSA-N -1 0 305.359 2.645 50 30 DFEARM CCc1ccc2nc3[n-]c(NN=Cc4cccn4C)nnc-3c2c1 ZINC000004660141 181133757 /nfs/dbraw/zinc/13/37/57/181133757.db2.gz CNYIXTJBBCSFNV-VCHYOVAHSA-N -1 0 319.372 2.853 50 30 DFEARM CC(=O)C(=N[N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)=O ZINC000004775512 181150505 /nfs/dbraw/zinc/15/05/05/181150505.db2.gz CNUFGWVYRICGCV-UHFFFAOYSA-N -1 0 317.223 2.560 50 30 DFEARM O=C([O-])C(=CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000005243611 181220720 /nfs/dbraw/zinc/22/07/20/181220720.db2.gz GWEQEBHRKPKIOK-UVTDQMKNSA-N -1 0 312.281 2.858 50 30 DFEARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000006623199 181362180 /nfs/dbraw/zinc/36/21/80/181362180.db2.gz QBDJZSCYFLIMCO-UHFFFAOYSA-N -1 0 300.339 2.562 50 30 DFEARM C=C(C)COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000006645446 181364593 /nfs/dbraw/zinc/36/45/93/181364593.db2.gz OJSKMJCWTUNWME-UHFFFAOYSA-N -1 0 302.326 2.992 50 30 DFEARM N#CCOc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000018895504 182102507 /nfs/dbraw/zinc/10/25/07/182102507.db2.gz XJQAPBUBUOMGOD-UHFFFAOYSA-N -1 0 306.318 2.529 50 30 DFEARM C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])SC1=S ZINC000021487070 182274933 /nfs/dbraw/zinc/27/49/33/182274933.db2.gz XYJKTXTZIPTOBF-XFFZJAGNSA-N -1 0 322.367 2.688 50 30 DFEARM Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCCOc1ccccc1 ZINC000039853943 183022195 /nfs/dbraw/zinc/02/21/95/183022195.db2.gz BBRBXDUXWOBPPC-ZPHPHTNESA-N -1 0 310.353 2.989 50 30 DFEARM N#Cc1c(=O)[n-]c(-c2ccc3c(c2)OCO3)cc1-c1ccco1 ZINC000066088637 184388164 /nfs/dbraw/zinc/38/81/64/184388164.db2.gz RKLKPVUMSFPCQI-UHFFFAOYSA-N -1 0 306.277 2.902 50 30 DFEARM COc1ccccc1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100005605 256559791 /nfs/dbraw/zinc/55/97/91/256559791.db2.gz SFCPVHICGDDQCZ-KNTRCKAVSA-N -1 0 308.341 2.886 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Cl)cc(Cl)c1 ZINC000103502614 256575866 /nfs/dbraw/zinc/57/58/66/256575866.db2.gz UUSJZABNFCVKAS-LBPRGKRZSA-N -1 0 311.168 2.938 50 30 DFEARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccc(C#N)c2)C1 ZINC000067173494 425909254 /nfs/dbraw/zinc/90/92/54/425909254.db2.gz ZHFKFVXDOBTIEP-KGLIPLIRSA-N -1 0 316.357 2.593 50 30 DFEARM Cc1ccc(C([O-])=C(C#N)C(=O)CCNC(=O)C(C)(C)C)s1 ZINC000102763754 425927470 /nfs/dbraw/zinc/92/74/70/425927470.db2.gz RDMAXRILRMFFLQ-LLVKDONJSA-N -1 0 320.414 2.501 50 30 DFEARM O=C([O-])c1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1Cl ZINC000000565896 425570083 /nfs/dbraw/zinc/57/00/83/425570083.db2.gz SHLMHTDBSPTFHH-NGYBGAFCSA-N -1 0 316.704 2.772 50 30 DFEARM O=C([O-])C(=O)/C(=C\c1cccnc1)c1ccc2ccccc2n1 ZINC000007587067 425648048 /nfs/dbraw/zinc/64/80/48/425648048.db2.gz OHHQTYVHJAJVII-UVTDQMKNSA-N -1 0 304.305 2.824 50 30 DFEARM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000007709473 425651005 /nfs/dbraw/zinc/65/10/05/425651005.db2.gz PMMQESBFNMBBAQ-UHFFFAOYSA-N -1 0 309.350 2.907 50 30 DFEARM O=C1C([O-])=C(c2ccccc2)S(=O)(=O)[C@H]1c1ccccc1 ZINC000004408933 425619044 /nfs/dbraw/zinc/61/90/44/425619044.db2.gz UIVWXNPUCAHAJX-HNNXBMFYSA-N -1 0 300.335 2.652 50 30 DFEARM C=CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000012753005 425736308 /nfs/dbraw/zinc/73/63/08/425736308.db2.gz XJZXGXGYVIRZOA-UHFFFAOYSA-N -1 0 311.263 2.513 50 30 DFEARM N#Cc1cccc([C@H](NCc2ccc(F)cc2)[P@](=O)([O-])O)c1 ZINC000012997474 425745258 /nfs/dbraw/zinc/74/52/58/425745258.db2.gz WYGXMJPJYAAHET-OAHLLOKOSA-N -1 0 320.260 2.663 50 30 DFEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2cc(C)[nH]n2)c1 ZINC000009357475 425685217 /nfs/dbraw/zinc/68/52/17/425685217.db2.gz DFOZGTXMYWQLLJ-OVCLIPMQSA-N -1 0 314.374 2.530 50 30 DFEARM C=CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/c1ccc(C)cc1 ZINC000012570825 425731559 /nfs/dbraw/zinc/73/15/59/425731559.db2.gz KEJLQOGMDMQCGN-VVLLMFOMSA-N -1 0 304.371 2.587 50 30 DFEARM COCc1cc(C)nc(N=NCc2ccc(C(=O)[O-])cc2)c1C#N ZINC000030902174 425833719 /nfs/dbraw/zinc/83/37/19/425833719.db2.gz IXWBLYAJLNVIBG-OCKHKDLRSA-N -1 0 324.340 2.552 50 30 DFEARM COc1cc(/C=C/C(=O)c2cccc(O)c2)cc([N+](=O)[O-])c1[O-] ZINC000036329700 425845375 /nfs/dbraw/zinc/84/53/75/425845375.db2.gz WOXAXDIBTABTBK-AATRIKPKSA-N -1 0 315.281 2.911 50 30 DFEARM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CC1(Cl)Cl ZINC000048403766 425875472 /nfs/dbraw/zinc/87/54/72/425875472.db2.gz SHCAREPLLBQQJM-JTQLQIEISA-N -1 0 308.186 2.916 50 30 DFEARM CCSCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000048459250 425875590 /nfs/dbraw/zinc/87/55/90/425875590.db2.gz XKCFJVGXBUGQNG-UHFFFAOYSA-N -1 0 309.359 2.753 50 30 DFEARM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C(C)C)cc1[N+](=O)[O-] ZINC000048518801 425875919 /nfs/dbraw/zinc/87/59/19/425875919.db2.gz VFLFNVDTDONGLG-UHFFFAOYSA-N -1 0 320.754 2.858 50 30 DFEARM Cc1c(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cnn1C(C)C ZINC000071785015 425988712 /nfs/dbraw/zinc/98/87/12/425988712.db2.gz BJKYDMBEJCLYBQ-AATRIKPKSA-N -1 0 302.330 2.636 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000103502544 425949797 /nfs/dbraw/zinc/94/97/97/425949797.db2.gz PSYOPECJFVSLPW-GFCCVEGCSA-N -1 0 310.275 2.650 50 30 DFEARM N#CC(C(=O)NCc1ccco1)=C([O-])c1ccc(Cl)cc1 ZINC000103502284 425950076 /nfs/dbraw/zinc/95/00/76/425950076.db2.gz RGHPXWTUCSQANE-CYBMUJFWSA-N -1 0 302.717 2.572 50 30 DFEARM C[C@H](C(=O)[N-]S(C)(=O)=O)c1ccc(Br)s1 ZINC000096441796 426426196 /nfs/dbraw/zinc/42/61/96/426426196.db2.gz IWMHDBQXURQPNS-YFKPBYRVSA-N -1 0 312.210 2.530 50 30 DFEARM Cc1ccc(OCCCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1C ZINC000096445774 426428187 /nfs/dbraw/zinc/42/81/87/426428187.db2.gz VWMLMLQERSMSFB-UHFFFAOYSA-N -1 0 323.356 2.568 50 30 DFEARM O=C([N-]S(=O)(=O)c1ccsc1)c1cncc2ccccc21 ZINC000097370775 426464543 /nfs/dbraw/zinc/46/45/43/426464543.db2.gz SVRPDQMZJHNECV-UHFFFAOYSA-N -1 0 318.379 2.990 50 30 DFEARM Cc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c2n[nH]cc21 ZINC000253425990 427208547 /nfs/dbraw/zinc/20/85/47/427208547.db2.gz XAFIEVHTTMLBLR-UHFFFAOYSA-N -1 0 306.391 2.553 50 30 DFEARM Cc1ccc(OCCCN2c3ccccc3C(=N[O-])C2=O)cc1 ZINC000254762154 427223078 /nfs/dbraw/zinc/22/30/78/427223078.db2.gz GJWWMRDHHLEGEP-UHFFFAOYSA-N -1 0 310.353 2.989 50 30 DFEARM Cc1ccc(CN(Cc2ccco2)C(=S)NCC(=O)[O-])cc1 ZINC000008682435 301582608 /nfs/dbraw/zinc/58/26/08/301582608.db2.gz GAZRFUBNVCVHEV-UHFFFAOYSA-N -1 0 318.398 2.961 50 30 DFEARM N#CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000036563347 303153014 /nfs/dbraw/zinc/15/30/14/303153014.db2.gz SZHHVPOCAABCBR-CVEARBPZSA-N -1 0 314.385 2.820 50 30 DFEARM N#CC1=C([O-])NC(=S)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000000210145 303166781 /nfs/dbraw/zinc/16/67/81/303166781.db2.gz FNHPPRZNPSYISK-HUUCEWRRSA-N -1 0 307.378 2.789 50 30 DFEARM C=CCOc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000012351548 190636179 /nfs/dbraw/zinc/63/61/79/190636179.db2.gz LLEUDAJPBFQTRL-AWEZNQCLSA-N -1 0 321.373 2.772 50 30 DFEARM CC(C)=CC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000095405029 185355673 /nfs/dbraw/zinc/35/56/73/185355673.db2.gz WENNNIUUIBHCDQ-UHFFFAOYSA-N -1 0 323.349 2.623 50 30 DFEARM O=C([N-]S(=O)(=O)CCCF)c1ccc2sccc2c1 ZINC000097015299 185397232 /nfs/dbraw/zinc/39/72/32/185397232.db2.gz MJWJEBRKSXBTGE-UHFFFAOYSA-N -1 0 301.364 2.895 50 30 DFEARM CSc1nc(NCC(=O)[O-])c(C#N)c(-c2ccc(C)cc2)n1 ZINC000057750342 190689164 /nfs/dbraw/zinc/68/91/64/190689164.db2.gz DCVVXDVFNXMTKU-UHFFFAOYSA-N -1 0 314.370 2.542 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccnc1)c1cc2cccc(F)c2o1 ZINC000097103745 398665255 /nfs/dbraw/zinc/66/52/55/398665255.db2.gz LTMINKNHDCMFEX-UHFFFAOYSA-N -1 0 320.301 2.660 50 30 DFEARM C=C(C)Cn1c(SCC(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000000135350 180704780 /nfs/dbraw/zinc/70/47/80/180704780.db2.gz ABTNPGYGGDBNSE-UHFFFAOYSA-N -1 0 319.386 2.707 50 30 DFEARM CCCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003560178 181034335 /nfs/dbraw/zinc/03/43/35/181034335.db2.gz DOMJLQZLCYNINJ-NADMHLTPSA-N -1 0 314.337 2.704 50 30 DFEARM COc1cc(OC)c(/N=N/c2nc(C#N)c(C#N)[n-]2)c(OC)c1 ZINC000004817941 181155985 /nfs/dbraw/zinc/15/59/85/181155985.db2.gz CNVSQTFXYPIKSD-FMQUCBEESA-N -1 0 312.289 2.594 50 30 DFEARM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000089651368 192834760 /nfs/dbraw/zinc/83/47/60/192834760.db2.gz NNIDNGNBBGBWIX-UHFFFAOYSA-N -1 0 324.365 2.611 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C#N ZINC000012413053 181758753 /nfs/dbraw/zinc/75/87/53/181758753.db2.gz CLQKOLMRHAMGIZ-SILNSSARSA-N -1 0 303.325 2.749 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018046613 182090554 /nfs/dbraw/zinc/09/05/54/182090554.db2.gz PUVZCARIZYMCRY-BETUJISGSA-N -1 0 310.419 2.576 50 30 DFEARM O=C([O-])c1ccccc1NN=C1C=C(c2ccccc2)OC1=O ZINC000018996212 182103338 /nfs/dbraw/zinc/10/33/38/182103338.db2.gz ZEZWCFCXUHQNSA-RGEXLXHISA-N -1 0 308.293 2.751 50 30 DFEARM Cc1n[nH]c(C)c1N=Nc1ccc(Br)cc1C(=O)[O-] ZINC000020102446 182186881 /nfs/dbraw/zinc/18/68/81/182186881.db2.gz CLUHFKUVKJWDTM-UHFFFAOYSA-N -1 0 323.150 2.766 50 30 DFEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC=CCC1 ZINC000054488416 183941884 /nfs/dbraw/zinc/94/18/84/183941884.db2.gz CKVIXXUHHVVIIJ-LLVKDONJSA-N -1 0 324.358 2.905 50 30 DFEARM N#Cc1ccc(-n2cc(C(=O)c3cc(F)ccc3[O-])cn2)cc1 ZINC000058161333 184082794 /nfs/dbraw/zinc/08/27/94/184082794.db2.gz YJNDMXCEMXGZGR-UHFFFAOYSA-N -1 0 307.284 2.820 50 30 DFEARM COc1cc(/C=C\C(=O)c2ccc(C)o2)ccc1OCC(=O)[O-] ZINC000096930434 257212105 /nfs/dbraw/zinc/21/21/05/257212105.db2.gz VQPFNHFYLYNDGV-XQRVVYSFSA-N -1 0 316.309 2.956 50 30 DFEARM O=S1(=O)CC[C@H]([N-]C(=S)SCc2cccc(F)c2)C1 ZINC000334158104 257214936 /nfs/dbraw/zinc/21/49/36/257214936.db2.gz PZGOHBHELLRPIC-NSHDSACASA-P -1 0 320.456 2.678 50 30 DFEARM O=C(Cc1ccc(Cl)s1)[N-]S(=O)(=O)c1cccnc1 ZINC000330031740 257260645 /nfs/dbraw/zinc/26/06/45/257260645.db2.gz CNQFVHXXFGTHTD-UHFFFAOYSA-N -1 0 316.791 2.684 50 30 DFEARM CCCCCCCN1C(=O)[N-]C(=O)C(=Cc2ccc[nH]2)C1=O ZINC000001826095 425586872 /nfs/dbraw/zinc/58/68/72/425586872.db2.gz IWIVLBRRNYTFER-ACCUITESSA-N -1 0 303.362 2.651 50 30 DFEARM COc1ccc([N+](=O)[O-])cc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000001951933 425589242 /nfs/dbraw/zinc/58/92/42/425589242.db2.gz ZPNMQRJWQXFAOZ-OVCLIPMQSA-N -1 0 317.257 2.968 50 30 DFEARM CC[C@H]1CCc2c(C#N)c(NC(=O)CCC(=O)[O-])sc2C1 ZINC000002737457 425600699 /nfs/dbraw/zinc/60/06/99/425600699.db2.gz YTXCOFDSTCZBBT-VIFPVBQESA-N -1 0 306.387 2.938 50 30 DFEARM O=c1[n-]c(NN=CCCc2ccccc2)nnc1-c1ccccc1 ZINC000004158772 425616947 /nfs/dbraw/zinc/61/69/47/425616947.db2.gz RJNBSWKOCVLYKN-CPNJWEJPSA-N -1 0 319.368 2.862 50 30 DFEARM Cc1cccc(C=NNc2nnc(-c3ccccc3)c(=O)[n-]2)c1 ZINC000031843540 425836648 /nfs/dbraw/zinc/83/66/48/425836648.db2.gz CVVMGGDLCRBXPV-WQRHYEAKSA-N -1 0 305.341 2.999 50 30 DFEARM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048638287 425876439 /nfs/dbraw/zinc/87/64/39/425876439.db2.gz HOVIENSBFOEGBD-VIFPVBQESA-N -1 0 323.399 2.693 50 30 DFEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC(C)C ZINC000048621058 425876505 /nfs/dbraw/zinc/87/65/05/425876505.db2.gz SKGGANULQVKRAJ-UHFFFAOYSA-N -1 0 300.336 2.595 50 30 DFEARM O=C(CC1CCCCC1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000071892477 425999482 /nfs/dbraw/zinc/99/94/82/425999482.db2.gz KPZSYQJWEBUPFQ-ZDUSSCGKSA-N -1 0 303.424 2.812 50 30 DFEARM O=C1C=C([O-])C(=CC=CC=Cc2c(O)cc(O)cc2O)C(=O)C1 ZINC000104047062 425957731 /nfs/dbraw/zinc/95/77/31/425957731.db2.gz DVRDGJBDBGWKTN-IYELIZCISA-N -1 0 314.293 2.766 50 30 DFEARM CCC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1 ZINC000096493305 426435689 /nfs/dbraw/zinc/43/56/89/426435689.db2.gz AJHDYQZQBMYRLW-GFCCVEGCSA-N -1 0 321.402 2.695 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100005545 426480248 /nfs/dbraw/zinc/48/02/48/426480248.db2.gz ZUPWRAGGXBPJEB-OBGWFSINSA-N -1 0 323.312 2.785 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000005725680 303178365 /nfs/dbraw/zinc/17/83/65/303178365.db2.gz ZZXXMONTRRJGDO-MNOVXSKESA-N -1 0 316.382 2.714 50 30 DFEARM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000078442028 337371074 /nfs/dbraw/zinc/37/10/74/337371074.db2.gz ROHIYVLVVQYAKG-SNVBAGLBSA-N -1 0 305.421 2.845 50 30 DFEARM COc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000048594970 525847164 /nfs/dbraw/zinc/84/71/64/525847164.db2.gz NXLHNZYNFALSCJ-UHFFFAOYSA-N -1 0 319.382 2.724 50 30 DFEARM CC(=CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)C(C)(C)C ZINC000076761469 185039469 /nfs/dbraw/zinc/03/94/69/185039469.db2.gz TVRHQHKLDCACQA-CMDGGOBGSA-N -1 0 313.423 2.675 50 30 DFEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/C(=O)[O-])sc2C1 ZINC000002745307 190616545 /nfs/dbraw/zinc/61/65/45/190616545.db2.gz KBEMPPDUIDFFHB-VUHVRTRXSA-N -1 0 304.371 2.714 50 30 DFEARM CCCCC(CCCC)=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1 ZINC000004492342 181114057 /nfs/dbraw/zinc/11/40/57/181114057.db2.gz ZXEBKQYDKVBXKM-NSHDSACASA-N -1 0 313.423 2.785 50 30 DFEARM Oc1cccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1 ZINC000004738485 181144660 /nfs/dbraw/zinc/14/46/60/181144660.db2.gz NUEYTOXPJWOGNZ-RQZCQDPDSA-N -1 0 304.313 2.658 50 30 DFEARM Cc1ccc(C)c(C=NNc2nc3ccccc3c(=O)n2[O-])c1 ZINC000005443297 181244467 /nfs/dbraw/zinc/24/44/67/181244467.db2.gz IUDQGBJMAKMHPJ-VCHYOVAHSA-N -1 0 308.341 2.697 50 30 DFEARM N#CC(=C([O-])C(=O)Nc1nccs1)c1ccc(Cl)cc1 ZINC000006528006 181349206 /nfs/dbraw/zinc/34/92/06/181349206.db2.gz VWWSEVYUBXKOHM-SNVBAGLBSA-N -1 0 305.746 2.611 50 30 DFEARM N#CC1(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CCCC1 ZINC000095989496 193480591 /nfs/dbraw/zinc/48/05/91/193480591.db2.gz RIBRSKCDMCCESA-UHFFFAOYSA-N -1 0 311.341 2.748 50 30 DFEARM CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000067456710 184467585 /nfs/dbraw/zinc/46/75/85/184467585.db2.gz ICQYXOWBEDROJY-CHWSQXEVSA-N -1 0 314.341 2.562 50 30 DFEARM COc1ccc(N=NC(C=O)=C([O-])c2ccc(OC)cc2)cc1 ZINC000100364243 257272771 /nfs/dbraw/zinc/27/27/71/257272771.db2.gz KSFJYVVQRVCXRQ-KNTRCKAVSA-N -1 0 312.325 2.554 50 30 DFEARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100364292 257272800 /nfs/dbraw/zinc/27/28/00/257272800.db2.gz HLMBGABCYDFMSR-MNDPQUGUSA-N -1 0 308.341 2.886 50 30 DFEARM C=CCOc1ccccc1C[N+]1C(=O)C(=N[O-])c2ccccc21 ZINC000343516940 257261692 /nfs/dbraw/zinc/26/16/92/257261692.db2.gz MTBWQZKKEGTURH-UHFFFAOYSA-N -1 0 308.337 2.942 50 30 DFEARM CC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001403913 425580298 /nfs/dbraw/zinc/58/02/98/425580298.db2.gz QIIHVPCLWJLLFI-OAHLLOKOSA-N -1 0 316.313 2.503 50 30 DFEARM O=C([N-]C1CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000001829661 425586105 /nfs/dbraw/zinc/58/61/05/425586105.db2.gz SUVUYVZKTBQEGE-UHFFFAOYSA-N -1 0 303.124 2.733 50 30 DFEARM COc1ccccc1[C@H]1Nc2nonc2N=C2CCCC(=O)C21 ZINC000012389213 425725294 /nfs/dbraw/zinc/72/52/94/425725294.db2.gz PBMHZGDGEPNUFP-CQSZACIVSA-N -1 0 312.329 2.664 50 30 DFEARM CN(CCC#N)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053422 425863888 /nfs/dbraw/zinc/86/38/88/425863888.db2.gz DRCZCSSJTRQWIL-UHFFFAOYSA-N -1 0 323.352 2.987 50 30 DFEARM N#CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000036563349 425846049 /nfs/dbraw/zinc/84/60/49/425846049.db2.gz SZHHVPOCAABCBR-HOTGVXAUSA-N -1 0 314.385 2.820 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@@H]1CC=CCC1 ZINC000048638012 425876499 /nfs/dbraw/zinc/87/64/99/425876499.db2.gz KNYWMJDXNPJODC-SECBINFHSA-N -1 0 323.399 2.693 50 30 DFEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCSCC)cc1 ZINC000048452758 425875683 /nfs/dbraw/zinc/87/56/83/425875683.db2.gz VMPRXXYQJSSLPM-UHFFFAOYSA-N -1 0 317.432 2.874 50 30 DFEARM O=C([N-]S(=O)(=O)c1ccccc1Br)C1CC1 ZINC000048519556 425875933 /nfs/dbraw/zinc/87/59/33/425875933.db2.gz ZYHRIMIKVAEIGL-UHFFFAOYSA-N -1 0 304.165 2.504 50 30 DFEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)c2ccsc2)s1 ZINC000075092091 426062822 /nfs/dbraw/zinc/06/28/22/426062822.db2.gz OGWVJKZQZWJKNP-UHFFFAOYSA-N -1 0 302.402 2.515 50 30 DFEARM Cc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C#N ZINC000120123940 426307833 /nfs/dbraw/zinc/30/78/33/426307833.db2.gz JLMBEIARWNJZGI-UHFFFAOYSA-N -1 0 323.355 2.637 50 30 DFEARM COc1ccc(C#N)c([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000095988612 426383779 /nfs/dbraw/zinc/38/37/79/426383779.db2.gz RGNTYSYHXOCHFJ-UHFFFAOYSA-N -1 0 306.343 2.578 50 30 DFEARM CCN(CC)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000096408017 426415572 /nfs/dbraw/zinc/41/55/72/426415572.db2.gz CAFYLVRIJCXTNL-LLVKDONJSA-N -1 0 316.398 2.862 50 30 DFEARM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000096452977 426428724 /nfs/dbraw/zinc/42/87/24/426428724.db2.gz RQYLNBWKVAQSDD-UHFFFAOYSA-N -1 0 312.354 2.544 50 30 DFEARM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000102051125 426487911 /nfs/dbraw/zinc/48/79/11/426487911.db2.gz CXPIYXFYTITISA-MRXNPFEDSA-N -1 0 321.380 2.904 50 30 DFEARM Cc1ccc2c(c1)C(=N[O-])C(=O)N2CCOc1cccc(C)c1 ZINC000252458493 427173123 /nfs/dbraw/zinc/17/31/23/427173123.db2.gz LPECCQYSZHGMHK-UHFFFAOYSA-N -1 0 310.353 2.907 50 30 DFEARM CC(C)C[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1 ZINC000095406065 279116703 /nfs/dbraw/zinc/11/67/03/279116703.db2.gz FAPHGBGBLOTFHT-NSHDSACASA-N -1 0 315.439 2.613 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000005725600 303178683 /nfs/dbraw/zinc/17/86/83/303178683.db2.gz NJMKBXYBPXZXPL-WDEREUQCSA-N -1 0 318.398 2.938 50 30 DFEARM N#CCc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000299751830 331713769 /nfs/dbraw/zinc/71/37/69/331713769.db2.gz RYCQRTHFVBDCLV-BMFZPTHFSA-N -1 0 312.369 2.611 50 30 DFEARM C=CCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S ZINC000036047425 518827172 /nfs/dbraw/zinc/82/71/72/518827172.db2.gz QHWYZTATEHVTHK-XFFZJAGNSA-N -1 0 322.367 2.688 50 30 DFEARM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000058419394 519671599 /nfs/dbraw/zinc/67/15/99/519671599.db2.gz CTPZAIIYUARVCX-LLVKDONJSA-N -1 0 317.382 2.922 50 30 DFEARM O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1F ZINC000048594923 527195618 /nfs/dbraw/zinc/19/56/18/527195618.db2.gz MWDHALIHODJETQ-UHFFFAOYSA-N -1 0 311.309 2.799 50 30 DFEARM O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000033836734 527359572 /nfs/dbraw/zinc/35/95/72/527359572.db2.gz RBLSIINLCLPCFS-RIYZIHGNSA-N -1 0 302.246 2.655 50 30 DFEARM N#Cc1cccnc1N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072157960 191061377 /nfs/dbraw/zinc/06/13/77/191061377.db2.gz RWRXNQOJUYRVCV-AWEZNQCLSA-N -1 0 307.353 2.720 50 30 DFEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(N)cc2)cc1C ZINC000000002089 180667829 /nfs/dbraw/zinc/66/78/29/180667829.db2.gz LFAXYIHYMGEIHW-UHFFFAOYSA-N -1 0 304.371 2.579 50 30 in-man DFEARM N#Cc1c(SCC(=O)[O-])nc2c(c1-c1ccco1)CCC2 ZINC000003407369 181015927 /nfs/dbraw/zinc/01/59/27/181015927.db2.gz KERLTYILSMGVNY-UHFFFAOYSA-N -1 0 300.339 2.879 50 30 DFEARM CCC(=NNc1nc2ccccc2c(=O)n1[O-])c1ccc(O)cc1 ZINC000005399183 181239694 /nfs/dbraw/zinc/23/96/94/181239694.db2.gz SAYDGLMIEUCXMB-XMHGGMMESA-N -1 0 324.340 2.566 50 30 DFEARM CC(C)(C)CN(CCC#N)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000095979520 193472978 /nfs/dbraw/zinc/47/29/78/193472978.db2.gz ZDZYVVRSHCGBSY-UHFFFAOYSA-N -1 0 305.334 2.702 50 30 DFEARM O=C([O-])COc1ccc(/C=C2\COc3ccccc3C2=O)cc1 ZINC000016046016 182030582 /nfs/dbraw/zinc/03/05/82/182030582.db2.gz WKPOAJGVIWCACF-UKTHLTGXSA-N -1 0 310.305 2.809 50 30 DFEARM C=CCSCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000048459161 183660327 /nfs/dbraw/zinc/66/03/27/183660327.db2.gz SRVDOOIFCNVQMJ-UHFFFAOYSA-N -1 0 307.343 2.529 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)C)cc([N+](=O)[O-])c1C ZINC000048504295 183663198 /nfs/dbraw/zinc/66/31/98/183663198.db2.gz MBKZVLSSKIDVTJ-UHFFFAOYSA-N -1 0 300.336 2.513 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)cc1F ZINC000100972151 256567485 /nfs/dbraw/zinc/56/74/85/256567485.db2.gz XNMSLSDLWXFCSS-AWEZNQCLSA-N -1 0 314.291 2.700 50 30 DFEARM COC(=O)C(C#N)=C([O-])c1cc(C)n(Cc2ccccc2)c1C ZINC000103555874 256575962 /nfs/dbraw/zinc/57/59/62/256575962.db2.gz NQSPPZIOGCVYHR-INIZCTEOSA-N -1 0 310.353 2.649 50 30 DFEARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(C#N)cc2)C1 ZINC000067173496 425909271 /nfs/dbraw/zinc/90/92/71/425909271.db2.gz FXCGBFMJOLRFEI-KGLIPLIRSA-N -1 0 316.357 2.593 50 30 DFEARM O=C([O-])COc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000000092166 425534135 /nfs/dbraw/zinc/53/41/35/425534135.db2.gz UNZWFLSKYYPNMM-UHFFFAOYSA-N -1 0 308.289 2.613 50 30 DFEARM Cc1ccc(/N=C2\S[C@@H](C(=O)[O-])CC(=O)N2C)cc1Cl ZINC000000192569 425543849 /nfs/dbraw/zinc/54/38/49/425543849.db2.gz ZVWDSIJEPXZSTJ-QMLLPTRZSA-N -1 0 312.778 2.684 50 30 DFEARM Cc1ccccc1CN[C@@H](c1ccc(C#N)cc1)[P@@](=O)([O-])O ZINC000012949524 425744945 /nfs/dbraw/zinc/74/49/45/425744945.db2.gz ATJLENOAAIVEGN-MRXNPFEDSA-N -1 0 316.297 2.833 50 30 DFEARM N#Cc1ccsc1NC(=O)C[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000025208103 425802435 /nfs/dbraw/zinc/80/24/35/425802435.db2.gz LDZBMXAPKNQPOC-LBPRGKRZSA-N -1 0 318.329 2.956 50 30 DFEARM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1 ZINC000096493300 426435769 /nfs/dbraw/zinc/43/57/69/426435769.db2.gz YRSWGKKAGGGORG-UHFFFAOYSA-N -1 0 321.402 2.553 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2sc(C)nc2C)c(C)o1 ZINC000097035250 426441791 /nfs/dbraw/zinc/44/17/91/426441791.db2.gz UMACWMMQMDMBLB-UHFFFAOYSA-N -1 0 314.388 2.663 50 30 DFEARM Cc1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)c(C)n1C1CC1 ZINC000097048947 426444172 /nfs/dbraw/zinc/44/41/72/426444172.db2.gz DSQJFKBEABCWAT-UHFFFAOYSA-N -1 0 319.386 2.528 50 30 DFEARM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cn1 ZINC000097081324 426445976 /nfs/dbraw/zinc/44/59/76/426445976.db2.gz QZIWQJVWIVWFLC-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000097115106 426452040 /nfs/dbraw/zinc/45/20/40/426452040.db2.gz ZNGCJQFKEMJNLB-UHFFFAOYSA-N -1 0 324.793 2.688 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2csnc2C)c(C)s1 ZINC000097138756 426452624 /nfs/dbraw/zinc/45/26/24/426452624.db2.gz LZCVINAOIDIOQE-UHFFFAOYSA-N -1 0 316.429 2.823 50 30 DFEARM N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000097237123 426461309 /nfs/dbraw/zinc/46/13/09/426461309.db2.gz MAMOFXMLINMUBP-LBPRGKRZSA-N -1 0 303.318 2.503 50 30 DFEARM O=c1[nH][nH]cc1CCCN=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000100241916 426481502 /nfs/dbraw/zinc/48/15/02/426481502.db2.gz QWAVLXQSJRZFHH-IYRRMDOYSA-N -1 0 314.172 2.630 50 30 DFEARM COc1ccc(C(=N\O)/C(=N\[O-])c2ccc(OC)cc2)cc1 ZINC000100428997 426481809 /nfs/dbraw/zinc/48/18/09/426481809.db2.gz WKHAEMSIWFZXOP-JRDMOELTSA-N -1 0 300.314 2.761 50 30 DFEARM CC(=O)c1cccc(N=Cc2c([O-])c3ccccc3oc2=O)c1 ZINC000100642436 426482695 /nfs/dbraw/zinc/48/26/95/426482695.db2.gz QSVUQNPHTLRWSR-GDNBJRDFSA-N -1 0 307.305 2.987 50 30 DFEARM N=C1NC(=O)/C(=C2/[N-]c3c(cc(Cl)cc3Cl)C2=O)S1 ZINC000100980567 426483350 /nfs/dbraw/zinc/48/33/50/426483350.db2.gz FGIKDUGGYNZAAJ-CLFYSBASSA-N -1 0 314.153 2.611 50 30 DFEARM Cc1ccc(OCCN2c3ccc(C)cc3C(=N[O-])C2=O)cc1 ZINC000254620106 427223170 /nfs/dbraw/zinc/22/31/70/427223170.db2.gz KBHNDNKSNUTNTG-UHFFFAOYSA-N -1 0 310.353 2.907 50 30 DFEARM Cc1ccc(/N=C2\S[C@H](C(=O)[O-])CC(=O)N2C)cc1Cl ZINC000000192565 301484949 /nfs/dbraw/zinc/48/49/49/301484949.db2.gz ZVWDSIJEPXZSTJ-ZSNVJIKNSA-N -1 0 312.778 2.684 50 30 DFEARM N#CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000036563353 303153214 /nfs/dbraw/zinc/15/32/14/303153214.db2.gz SZHHVPOCAABCBR-JKSUJKDBSA-N -1 0 314.385 2.820 50 30 DFEARM N#CC1=C([O-])NC(=S)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000000210149 303158421 /nfs/dbraw/zinc/15/84/21/303158421.db2.gz FNHPPRZNPSYISK-LSDHHAIUSA-N -1 0 307.378 2.789 50 30 DFEARM CC(C)c1cccc(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000186703988 316202717 /nfs/dbraw/zinc/20/27/17/316202717.db2.gz BSHPNELOCFTTEV-UHFFFAOYSA-N -1 0 301.371 2.877 50 30 DFEARM CC/N=C1\S[C@H](CC(=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000027460215 520208802 /nfs/dbraw/zinc/20/88/02/520208802.db2.gz YNZCXRNZEXCJEH-QMLLPTRZSA-N -1 0 312.778 2.639 50 30 DFEARM Cc1cccc(OCC(=O)[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000048594982 524707235 /nfs/dbraw/zinc/70/72/35/524707235.db2.gz WEKANKAFCDZFLS-UHFFFAOYSA-N -1 0 319.382 2.860 50 30 DFEARM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000058326041 525900540 /nfs/dbraw/zinc/90/05/40/525900540.db2.gz PVGVAUGOXMGBOO-BZYZDCJZSA-N -1 0 309.387 2.759 50 30 DFEARM Cc1cccc(C)c1CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000097147441 185416252 /nfs/dbraw/zinc/41/62/52/185416252.db2.gz HXPSFXHPFJBJIN-UHFFFAOYSA-N -1 0 304.371 2.586 50 30 DFEARM Cc1ccc(NC(=O)C(=N[O-])C(=O)Nc2ccc(C)cc2)cc1 ZINC000001410197 180863239 /nfs/dbraw/zinc/86/32/39/180863239.db2.gz NJIVKMWYODSMKA-UHFFFAOYSA-N -1 0 311.341 2.711 50 30 DFEARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C#N)c1C ZINC000004144485 181078756 /nfs/dbraw/zinc/07/87/56/181078756.db2.gz NUDROFHQXMCQBN-QWRGUYRKSA-N -1 0 304.371 2.842 50 30 DFEARM C#CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000004815217 181155963 /nfs/dbraw/zinc/15/59/63/181155963.db2.gz KOXUHJRFJXSSJD-XDHOZWIPSA-N -1 0 324.336 2.851 50 30 DFEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccsc2)C1 ZINC000091849206 193117227 /nfs/dbraw/zinc/11/72/27/193117227.db2.gz AEVASCDSXRDOIV-MRXNPFEDSA-N -1 0 307.415 2.950 50 30 DFEARM CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000058189258 184085974 /nfs/dbraw/zinc/08/59/74/184085974.db2.gz COBFSRJTIAHJLG-UHFFFAOYSA-N -1 0 313.375 2.555 50 30 DFEARM C#Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000058363067 184109006 /nfs/dbraw/zinc/10/90/06/184109006.db2.gz SRAVYUZNAXGSPH-UHFFFAOYSA-N -1 0 323.377 2.654 50 30 DFEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000066248803 184398886 /nfs/dbraw/zinc/39/88/86/184398886.db2.gz ZGZYYDLHCLMOSK-UHFFFAOYSA-N -1 0 316.386 2.671 50 30 DFEARM CCOC(=O)/C(=N/[O-])C1=NC2(CCCC2)Cc2ccccc21 ZINC000100348512 256562667 /nfs/dbraw/zinc/56/26/67/256562667.db2.gz SGTGJCSTOIKLIM-XDJHFCHBSA-N -1 0 300.358 2.738 50 30 DFEARM CC(C)C[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000100747767 256565253 /nfs/dbraw/zinc/56/52/53/256565253.db2.gz FOQCZPYGTIULFZ-LLVKDONJSA-N -1 0 321.760 2.605 50 30 DFEARM COc1ccc(NC=CC([O-])=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000100364530 257233635 /nfs/dbraw/zinc/23/36/35/257233635.db2.gz ONYURAQVODVJSU-HJWRWDBZSA-N -1 0 315.369 2.764 50 30 aggregator DFEARM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000066813938 425906729 /nfs/dbraw/zinc/90/67/29/425906729.db2.gz RNCOCWUPKMEQRU-JTQLQIEISA-N -1 0 322.415 2.605 50 30 DFEARM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c1 ZINC000097083172 262546460 /nfs/dbraw/zinc/54/64/60/262546460.db2.gz USXPBVFJMIHEQZ-LBPRGKRZSA-N -1 0 311.407 2.541 50 30 DFEARM Cn1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cc2ccccc21 ZINC000102385138 425920177 /nfs/dbraw/zinc/92/01/77/425920177.db2.gz IVBXVEWQNSKLEH-AWEZNQCLSA-N -1 0 309.369 2.560 50 30 DFEARM COC(=O)C1=C([O-])CSC1=Nc1cccc(C(F)(F)F)c1 ZINC000000301703 425550817 /nfs/dbraw/zinc/55/08/17/425550817.db2.gz ZTCZWWJNGYGXSR-UHFFFAOYSA-N -1 0 317.288 2.818 50 30 DFEARM CCCC[C@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000003122309 425610367 /nfs/dbraw/zinc/61/03/67/425610367.db2.gz PYGZUWOWWNUNJU-NSHDSACASA-N -1 0 321.760 2.749 50 30 DFEARM CCCC[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000003122310 425610509 /nfs/dbraw/zinc/61/05/09/425610509.db2.gz PYGZUWOWWNUNJU-LLVKDONJSA-N -1 0 321.760 2.749 50 30 DFEARM COc1ccc(C(=O)C(/C=N/[O-])=NNc2ccc(F)cc2)cc1 ZINC000001392359 425579586 /nfs/dbraw/zinc/57/95/86/425579586.db2.gz IFBNDHARSZMOMG-MSVCLYSYSA-N -1 0 315.304 2.945 50 30 DFEARM FC(F)Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)F)cc1 ZINC000002790089 425602975 /nfs/dbraw/zinc/60/29/75/425602975.db2.gz BCXCEXHGKHHBIA-FZSIALSZSA-N -1 0 320.271 2.988 50 30 DFEARM O=C1CCCC2=Nc3nonc3N[C@@H](c3ccccc3F)C12 ZINC000012389836 425726032 /nfs/dbraw/zinc/72/60/32/425726032.db2.gz XWLDBZYIYKNUPU-ZDUSSCGKSA-N -1 0 300.293 2.795 50 30 DFEARM CCCCCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048519854 425875917 /nfs/dbraw/zinc/87/59/17/425875917.db2.gz GRPCCZCWEKJERB-UHFFFAOYSA-N -1 0 313.404 2.917 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)cc1Cl ZINC000103259621 425940373 /nfs/dbraw/zinc/94/03/73/425940373.db2.gz AGAAMNLYACXCTM-NSHDSACASA-N -1 0 311.168 2.938 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)cc1Cl ZINC000103259619 425940743 /nfs/dbraw/zinc/94/07/43/425940743.db2.gz AGAAMNLYACXCTM-LLVKDONJSA-N -1 0 311.168 2.938 50 30 DFEARM Cc1cccc(C([O-])=C(C#N)C(=O)NCCc2ccccc2)c1C ZINC000103504304 425951881 /nfs/dbraw/zinc/95/18/81/425951881.db2.gz AVTAGHMCCARQFD-SFHVURJKSA-N -1 0 320.392 2.985 50 30 DFEARM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)no1 ZINC000096493926 426435393 /nfs/dbraw/zinc/43/53/93/426435393.db2.gz LCFSUKYWDWVQBL-UHFFFAOYSA-N -1 0 305.359 2.612 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(F)c2)cc1 ZINC000100684216 426483058 /nfs/dbraw/zinc/48/30/58/426483058.db2.gz UHWVJKCMDPKZAC-OAHLLOKOSA-N -1 0 312.300 2.686 50 30 DFEARM CC(C)(C)c1[n-]n(Cc2nc(C3CC3)no2)c(=O)c1CCC#N ZINC000101811055 426486428 /nfs/dbraw/zinc/48/64/28/426486428.db2.gz UEGWLUUCNZVQLI-UHFFFAOYSA-N -1 0 315.377 2.651 50 30 DFEARM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000226857633 426624351 /nfs/dbraw/zinc/62/43/51/426624351.db2.gz ULXUQMKXOZLRPA-UHFFFAOYSA-N -1 0 313.419 2.942 50 30 DFEARM Cc1cc([O-])c(C(=O)/C=C/c2ccnn2-c2ccccc2)c(=O)o1 ZINC000227173411 426625677 /nfs/dbraw/zinc/62/56/77/426625677.db2.gz SSEPJPDWDPISDS-BQYQJAHWSA-N -1 0 322.320 2.736 50 30 DFEARM CC[C@H]1CCc2c(C#N)c(NC(=O)/C=C\C(=O)[O-])sc2C1 ZINC000035585872 288248366 /nfs/dbraw/zinc/24/83/66/288248366.db2.gz KBEMPPDUIDFFHB-UDIARPCQSA-N -1 0 304.371 2.714 50 30 DFEARM CC1(C(=O)[N-]S(=O)(=O)Cc2ccon2)CCCCCC1 ZINC000097081001 280845901 /nfs/dbraw/zinc/84/59/01/280845901.db2.gz IUVFHIBTYDACHF-UHFFFAOYSA-N -1 0 300.380 2.821 50 30 DFEARM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C#N)c1 ZINC000097104527 323209223 /nfs/dbraw/zinc/20/92/23/323209223.db2.gz WXPNKJFYTPAJSD-UHFFFAOYSA-N -1 0 307.762 2.716 50 30 DFEARM CC(C)C[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21 ZINC000071905095 519326525 /nfs/dbraw/zinc/32/65/25/519326525.db2.gz DFZPXOVMLCCFDT-AAEUAGOBSA-N -1 0 311.403 2.884 50 30 DFEARM COc1cc(C2(C(=O)[N-]S(=O)(=O)C(C)C)CC2)ccc1C ZINC000069975763 522302413 /nfs/dbraw/zinc/30/24/13/522302413.db2.gz CACGPAOWLHHPPI-UHFFFAOYSA-N -1 0 311.403 2.730 50 30 DFEARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC=CCC1 ZINC000048677072 523347202 /nfs/dbraw/zinc/34/72/02/523347202.db2.gz ZKAXKBQYGWFGBN-CQSZACIVSA-N -1 0 308.403 2.676 50 30 DFEARM O=C(CCc1cscn1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000073289609 527178707 /nfs/dbraw/zinc/17/87/07/527178707.db2.gz CQVKJUURMCSXRJ-UHFFFAOYSA-N -1 0 324.427 2.605 50 30 DFEARM O=C(/C(=N/[O-])c1nc2ccccc2s1)c1ccc(O)cc1O ZINC000032501379 527592804 /nfs/dbraw/zinc/59/28/04/527592804.db2.gz GUTBTYKJHIVQMJ-LGMDPLHJSA-N -1 0 314.322 2.769 50 30 DFEARM CCOC(=O)/C(=N\[O-])c1c(C)nn(-c2cccc(Cl)c2)c1C ZINC000004801775 181153212 /nfs/dbraw/zinc/15/32/12/181153212.db2.gz YQHWSMFMFXMOAC-JXAWBTAJSA-N -1 0 321.764 2.884 50 30 DFEARM O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000005109458 181204374 /nfs/dbraw/zinc/20/43/74/181204374.db2.gz FTYOUNWWAUZCCW-XVNBXDOJSA-N -1 0 323.304 2.612 50 30 DFEARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000006623196 181362424 /nfs/dbraw/zinc/36/24/24/181362424.db2.gz NKADFTYJDRIOIN-UHFFFAOYSA-N -1 0 300.339 2.562 50 30 DFEARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000018283660 182101453 /nfs/dbraw/zinc/10/14/53/182101453.db2.gz RYKIVOHWWJJYRL-UHFFFAOYSA-N -1 0 300.339 2.562 50 30 DFEARM CCCCNC(=O)N=S(=O)([O-])c1ccc2c(c1)CCCC2 ZINC000040116181 183036894 /nfs/dbraw/zinc/03/68/94/183036894.db2.gz UNBXARGEIDROMR-UHFFFAOYSA-N -1 0 310.419 2.558 50 30 DFEARM C=C(C)COc1cccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000055255037 183974665 /nfs/dbraw/zinc/97/46/65/183974665.db2.gz LAHBLNIKWIKJDA-AWEZNQCLSA-N -1 0 323.414 2.578 50 30 DFEARM CC(C)(C)C(=O)N1CCC(N=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000054860063 542451405 /nfs/dbraw/zinc/45/14/05/542451405.db2.gz CCUMYHAUAOJGQR-UHFFFAOYSA-N -1 0 317.389 2.821 50 30 DFEARM COc1cc(OC)cc(C(=O)C(C#N)=C([O-])c2cccs2)c1 ZINC000103259751 256574987 /nfs/dbraw/zinc/57/49/87/256574987.db2.gz DLXRMKPVORTLSG-ZDUSSCGKSA-N -1 0 315.350 2.971 50 30 DFEARM C=CCOc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002386591 257262713 /nfs/dbraw/zinc/26/27/13/257262713.db2.gz YIRRNENSHUFZBH-CQSZACIVSA-N -1 0 321.373 2.772 50 30 DFEARM C=CC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000328598297 257265371 /nfs/dbraw/zinc/26/53/71/257265371.db2.gz KZBGPCOBXLZUGN-RQJHMYQMSA-N -1 0 318.217 2.613 50 30 DFEARM COc1ccc(Cl)cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000102781566 425928197 /nfs/dbraw/zinc/92/81/97/425928197.db2.gz XGQZAHUHPBXTRE-UYWPIULCSA-N -1 0 320.728 2.577 50 30 DFEARM COc1cc(C#N)c(Br)c(Br)c1[O-] ZINC000000296142 425550912 /nfs/dbraw/zinc/55/09/12/425550912.db2.gz LPVLXJJROPWYMZ-UHFFFAOYSA-N -1 0 306.941 2.797 50 30 DFEARM O=C([O-])COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000002354515 425592215 /nfs/dbraw/zinc/59/22/15/425592215.db2.gz YBYYYJPIBAFPQA-CHHVJCJISA-N -1 0 314.268 2.905 50 30 DFEARM Cc1cccc(O)c1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000003090401 425609161 /nfs/dbraw/zinc/60/91/61/425609161.db2.gz JAJRVNHDNYBFSN-VIZOYTHASA-N -1 0 317.257 2.973 50 30 DFEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(C)oc2C)n1 ZINC000007986056 425657755 /nfs/dbraw/zinc/65/77/55/425657755.db2.gz ASCRLFCPPILCBH-LBPRGKRZSA-N -1 0 318.354 2.695 50 30 DFEARM COc1cccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)c1 ZINC000012390556 425726113 /nfs/dbraw/zinc/72/61/13/425726113.db2.gz BXWJKHURGSFGQM-CQSZACIVSA-N -1 0 312.329 2.664 50 30 DFEARM O=C([O-])CCC(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000013575332 425756960 /nfs/dbraw/zinc/75/69/60/425756960.db2.gz IHZXSYYRRWTLDY-BQYQJAHWSA-N -1 0 313.309 2.979 50 30 DFEARM N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc(C(=O)[O-])cc1 ZINC000071662341 425989139 /nfs/dbraw/zinc/98/91/39/425989139.db2.gz AKTQUADBGMEYFG-UHFFFAOYSA-N -1 0 304.309 2.896 50 30 DFEARM O=C(CCc1ccsc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000071892480 426000325 /nfs/dbraw/zinc/00/03/25/426000325.db2.gz GKESQBJSRORSCY-LBPRGKRZSA-N -1 0 317.432 2.536 50 30 DFEARM Cc1cc(C)nc(C(C#N)=C([O-])c2ccc(Br)o2)n1 ZINC000075128394 426063320 /nfs/dbraw/zinc/06/33/20/426063320.db2.gz COSBPYMZXOOUJL-VIFPVBQESA-N -1 0 320.146 2.939 50 30 DFEARM CCn1cc(C(=O)[N-]S(=O)(=O)CCC(C)C)c(C(C)C)n1 ZINC000077944213 426153313 /nfs/dbraw/zinc/15/33/13/426153313.db2.gz LDOHAFJEFNDVFW-UHFFFAOYSA-N -1 0 315.439 2.707 50 30 DFEARM CC(C)COc1ccc(CC(=O)[N-]S(=O)(=O)C(C)C)cc1 ZINC000078611964 426177900 /nfs/dbraw/zinc/17/79/00/426177900.db2.gz IUFQYEMVCGUKOR-UHFFFAOYSA-N -1 0 313.419 2.959 50 30 DFEARM N#Cc1ccc2ncc(/C=C/c3ncc(/C=C\C(=O)[O-])s3)n2c1 ZINC000098056348 426476811 /nfs/dbraw/zinc/47/68/11/426476811.db2.gz VVBMSQQRPAHVLJ-JGJYBARTSA-N -1 0 322.349 2.931 50 30 DFEARM N#Cc1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCCCCC2 ZINC000100548049 426482886 /nfs/dbraw/zinc/48/28/86/426482886.db2.gz QVCOOENEXPULTC-FPLPWBNLSA-N -1 0 304.371 2.858 50 30 DFEARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1C ZINC000004144492 302880726 /nfs/dbraw/zinc/88/07/26/302880726.db2.gz NUDROFHQXMCQBN-WDEREUQCSA-N -1 0 304.371 2.842 50 30 DFEARM N#CC1=C([O-])NC(=S)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000000210147 303158467 /nfs/dbraw/zinc/15/84/67/303158467.db2.gz FNHPPRZNPSYISK-GJZGRUSLSA-N -1 0 307.378 2.789 50 30 DFEARM CCCN(C)S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)cc1 ZINC000089955534 332081070 /nfs/dbraw/zinc/08/10/70/332081070.db2.gz SDPXACQIKFAUAD-UHFFFAOYSA-N -1 0 318.826 2.816 50 30 DFEARM CS(=O)(=O)[N-]C(=O)C=Cc1cccc(OC2CCCC2)c1 ZINC000096403740 332182231 /nfs/dbraw/zinc/18/22/31/332182231.db2.gz DWVHIQFGKDWQLX-KTKRTIGZSA-N -1 0 309.387 2.937 50 30 DFEARM CC(C)C[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc21 ZINC000071905092 519326217 /nfs/dbraw/zinc/32/62/17/519326217.db2.gz DFZPXOVMLCCFDT-WCQYABFASA-N -1 0 311.403 2.884 50 30 DFEARM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000036062202 526075703 /nfs/dbraw/zinc/07/57/03/526075703.db2.gz AXBWOESRPQXQGU-OVCLIPMQSA-N -1 0 316.273 2.963 50 30 DFEARM O=C(NCCc1c[nH]c2ccccc12)/C(=N/[O-])c1ccccc1 ZINC000004526265 526393925 /nfs/dbraw/zinc/39/39/25/526393925.db2.gz OFOBJCHWTHRSLG-HEHNFIMWSA-N -1 0 307.353 2.705 50 30 DFEARM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048595091 527195945 /nfs/dbraw/zinc/19/59/45/527195945.db2.gz SQOSWGKOUNGVBP-UHFFFAOYSA-N -1 0 307.346 2.855 50 30 DFEARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccc(F)cc1F ZINC000095404940 185355522 /nfs/dbraw/zinc/35/55/22/185355522.db2.gz OVGUPUWFFLXVPA-SECBINFHSA-N -1 0 320.361 2.611 50 30 DFEARM Oc1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000003897901 181054446 /nfs/dbraw/zinc/05/44/46/181054446.db2.gz MMJFQDHFSSBKKE-RQZCQDPDSA-N -1 0 304.313 2.658 50 30 DFEARM COc1cccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1 ZINC000004358778 181102034 /nfs/dbraw/zinc/10/20/34/181102034.db2.gz NWOLTKWGTQFYGC-VCHYOVAHSA-N -1 0 318.340 2.961 50 30 DFEARM Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)s1 ZINC000078445768 191864015 /nfs/dbraw/zinc/86/40/15/191864015.db2.gz UKOICPVOUZDEQE-UHFFFAOYSA-N -1 0 322.411 2.634 50 30 DFEARM C[C@@](CC(=O)Nc1sccc1C#N)(C(=O)[O-])c1ccccc1 ZINC000013255789 181839853 /nfs/dbraw/zinc/83/98/53/181839853.db2.gz OVYCTMMBLICGEC-INIZCTEOSA-N -1 0 314.366 2.991 50 30 DFEARM N#CCCN=c1sc2c(s1)c(O)c1ccccc1c2O ZINC000198756730 399196990 /nfs/dbraw/zinc/19/69/90/399196990.db2.gz IFCXNACQTGRDAS-BETUJISGSA-N -1 0 302.380 2.552 50 30 DFEARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000048621092 183671581 /nfs/dbraw/zinc/67/15/81/183671581.db2.gz FKXQUJCJTFRULU-QMMMGPOBSA-N -1 0 300.336 2.595 50 30 DFEARM C=CCCn1c2cc(C(=O)[O-])cnc2n(C(CC)CC)c1=O ZINC000055131585 425892058 /nfs/dbraw/zinc/89/20/58/425892058.db2.gz GLEIHTUYJFVONK-UHFFFAOYSA-N -1 0 303.362 2.833 50 30 DFEARM C=CCN(Cc1ccco1)Cc1ccccc1OCC(=O)[O-] ZINC000055344273 425893260 /nfs/dbraw/zinc/89/32/60/425893260.db2.gz XMEHUABQPHXSPD-UHFFFAOYSA-N -1 0 301.342 2.931 50 30 DFEARM O=C(N=S(=O)([O-])c1ccccc1Cl)NCc1ccccc1 ZINC000000186101 425543546 /nfs/dbraw/zinc/54/35/46/425543546.db2.gz JDJUKEYRNIQOCV-UHFFFAOYSA-N -1 0 324.789 2.733 50 30 DFEARM O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)OCCO3)c1[O-] ZINC000000552758 425567914 /nfs/dbraw/zinc/56/79/14/425567914.db2.gz FOIKMQBAYIXBQO-CXUHLZMHSA-N -1 0 300.270 2.822 50 30 DFEARM N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCC2 ZINC000002999125 425608308 /nfs/dbraw/zinc/60/83/08/425608308.db2.gz CBSZVPKUGQCGOE-UHFFFAOYSA-N -1 0 303.299 2.862 50 30 DFEARM N#Cc1ccc(Oc2ccc(NC(=O)/C=C/C(=O)[O-])cc2)cc1 ZINC000000271038 425549747 /nfs/dbraw/zinc/54/97/47/425549747.db2.gz GRBJDJVRFCFGOC-MDZDMXLPSA-N -1 0 308.293 2.930 50 30 DFEARM O=C([O-])COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000009259701 425684386 /nfs/dbraw/zinc/68/43/86/425684386.db2.gz UQEVUGNREIMPKX-CXUHLZMHSA-N -1 0 315.285 2.504 50 30 DFEARM Cc1cc2c(c(C)c1)N(CCOc1ccccc1)C(=O)/C2=N\[O-] ZINC000046084922 425863904 /nfs/dbraw/zinc/86/39/04/425863904.db2.gz CJHMHKGKQVJARE-MNDPQUGUSA-N -1 0 310.353 2.907 50 30 DFEARM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461301 425875688 /nfs/dbraw/zinc/87/56/88/425875688.db2.gz VJFMUUFRXJPTMG-ZETCQYMHSA-N -1 0 309.796 2.616 50 30 DFEARM CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048519878 425875973 /nfs/dbraw/zinc/87/59/73/425875973.db2.gz SCVUKYOENQERCZ-UHFFFAOYSA-N -1 0 313.404 2.773 50 30 DFEARM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(F)cc(F)c1 ZINC000103503578 425951805 /nfs/dbraw/zinc/95/18/05/425951805.db2.gz GLIHWXLCMMWWOX-HNNXBMFYSA-N -1 0 314.291 2.604 50 30 DFEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccc(C)cc2)C(=O)CC1(C)C ZINC000103694507 425953217 /nfs/dbraw/zinc/95/32/17/425953217.db2.gz YYVKYUJHAMWYSA-WVUXNXBLSA-N -1 0 315.369 2.648 50 30 DFEARM CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000078410916 426168830 /nfs/dbraw/zinc/16/88/30/426168830.db2.gz JLDLDAJHNBARNM-UHFFFAOYSA-N -1 0 316.338 2.615 50 30 DFEARM CS(=O)(=O)[N-]C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000078556446 426174731 /nfs/dbraw/zinc/17/47/31/426174731.db2.gz OKIZLLKHGRFGRN-UHFFFAOYSA-N -1 0 316.338 2.759 50 30 DFEARM O=c1oc2ccccc2c([O-])c1C=Nc1cccc([N+](=O)[O-])c1 ZINC000100816065 426483029 /nfs/dbraw/zinc/48/30/29/426483029.db2.gz OQQJQYLIPBDOAU-LCYFTJDESA-N -1 0 310.265 2.693 50 30 DFEARM C=CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N/c1ccc(C)cc1 ZINC000012570834 277856345 /nfs/dbraw/zinc/85/63/45/277856345.db2.gz KEJLQOGMDMQCGN-IUDBQGPFSA-N -1 0 304.371 2.587 50 30 DFEARM N#CC1=C([O-])NC(=S)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000000210143 303166772 /nfs/dbraw/zinc/16/67/72/303166772.db2.gz FNHPPRZNPSYISK-CABCVRRESA-N -1 0 307.378 2.789 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000005725681 303178802 /nfs/dbraw/zinc/17/88/02/303178802.db2.gz ZZXXMONTRRJGDO-GHMZBOCLSA-N -1 0 316.382 2.714 50 30 DFEARM CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccccc2)nc1C ZINC000097098246 332192510 /nfs/dbraw/zinc/19/25/10/332192510.db2.gz NYBBUDRBCAZYAA-LLVKDONJSA-N -1 0 321.402 2.660 50 30 DFEARM Cc1c(C(=O)[N-]S(=O)(=O)CCC(C)(C)C)cnn1C(C)C ZINC000092700906 525513257 /nfs/dbraw/zinc/51/32/57/525513257.db2.gz JPJUQNQXVJAVSC-UHFFFAOYSA-N -1 0 315.439 2.843 50 30 DFEARM O=[N+]([O-])c1ccc([O-])c(C=NNc2nncc3ccccc32)c1 ZINC000033837591 527368945 /nfs/dbraw/zinc/36/89/45/527368945.db2.gz OCLYOBUSPNLQFR-RQZCQDPDSA-N -1 0 309.285 2.690 50 30 DFEARM O=C([N-]S(=O)(=O)c1ccsc1)c1cccc2ncccc21 ZINC000095463448 185371162 /nfs/dbraw/zinc/37/11/62/185371162.db2.gz WOEIUSIDLPMTLB-UHFFFAOYSA-N -1 0 318.379 2.990 50 30 DFEARM N#Cc1ccc(Oc2ccccc2NC(=O)/C=C\C(=O)[O-])cc1 ZINC000030826581 190657004 /nfs/dbraw/zinc/65/70/04/190657004.db2.gz XDCVWTKSORGPAD-KTKRTIGZSA-N -1 0 308.293 2.930 50 30 DFEARM C/C(=C\C(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)[O-] ZINC000005516736 181252430 /nfs/dbraw/zinc/25/24/30/181252430.db2.gz XKZQZXOSPBLZKK-VQHVLOKHSA-N -1 0 304.371 2.858 50 30 DFEARM N#CC(=C([O-])C(=O)Nc1nccs1)c1ccccc1Cl ZINC000005717613 181276542 /nfs/dbraw/zinc/27/65/42/181276542.db2.gz IDKTYFMVOWEMNZ-VIFPVBQESA-N -1 0 305.746 2.611 50 30 DFEARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000005884826 181292831 /nfs/dbraw/zinc/29/28/31/181292831.db2.gz OTMWOHHBGMZICL-UHFFFAOYSA-N -1 0 302.355 2.676 50 30 DFEARM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000006328294 181330378 /nfs/dbraw/zinc/33/03/78/181330378.db2.gz LCMFCRBDAMOYQN-UHFFFAOYSA-N -1 0 302.355 2.758 50 30 DFEARM Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCOc1ccccc1C ZINC000039853932 183022625 /nfs/dbraw/zinc/02/26/25/183022625.db2.gz RAVUGFZQEWLXDF-ZPHPHTNESA-N -1 0 310.353 2.907 50 30 DFEARM O=C1Nc2ccc(-c3ccccc3)cc2C1=N[N-]c1ncccn1 ZINC000043955943 183390623 /nfs/dbraw/zinc/39/06/23/183390623.db2.gz UKLKNBDWCSAPJZ-UHFFFAOYSA-N -1 0 315.336 2.912 50 30 DFEARM N#Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000058343721 184107244 /nfs/dbraw/zinc/10/72/44/184107244.db2.gz KDPBDSCCFPCSTG-UHFFFAOYSA-N -1 0 324.365 2.545 50 30 DFEARM O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418262 256535633 /nfs/dbraw/zinc/53/56/33/256535633.db2.gz ODEQUMYEIZLLLN-LLVKDONJSA-N -1 0 317.794 2.944 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)c(C)c1 ZINC000048476846 256536370 /nfs/dbraw/zinc/53/63/70/256536370.db2.gz ISKNYIIGFOGNJV-ZDUSSCGKSA-N -1 0 311.403 2.908 50 30 DFEARM C=C(C)COc1cccc(C(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000055255040 425892755 /nfs/dbraw/zinc/89/27/55/425892755.db2.gz LAHBLNIKWIKJDA-CQSZACIVSA-N -1 0 323.414 2.578 50 30 DFEARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055649136 425894496 /nfs/dbraw/zinc/89/44/96/425894496.db2.gz BVRWDMSCUCYEKI-UHFFFAOYSA-N -1 0 318.402 2.753 50 30 DFEARM Cn1c(C([O-])=C(C#N)C(=O)NC2CCCC2)cc2ccccc21 ZINC000102385135 425919958 /nfs/dbraw/zinc/91/99/58/425919958.db2.gz IVBXVEWQNSKLEH-CQSZACIVSA-N -1 0 309.369 2.560 50 30 DFEARM CCc1sc(C([O-])=C(C#N)C(=O)N2CCSCC2)cc1C ZINC000102759053 425926747 /nfs/dbraw/zinc/92/67/47/425926747.db2.gz WZDOGGSHRCXORY-LLVKDONJSA-N -1 0 322.455 2.517 50 30 DFEARM COc1ccc(C(=O)C(C#N)=N[N-]c2ccccc2[N+](=O)[O-])cc1 ZINC000013132791 264002070 /nfs/dbraw/zinc/00/20/70/264002070.db2.gz FQIDYNXWMIMEMA-XMHGGMMESA-N -1 0 324.296 2.778 50 30 DFEARM C=CCN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000000561110 425569715 /nfs/dbraw/zinc/56/97/15/425569715.db2.gz QRZMXFQHRBJOSI-UXBLZVDNSA-N -1 0 313.140 2.778 50 30 DFEARM Cc1cccc(NC(=O)C(=N[O-])C(=O)Nc2cccc(C)c2)c1 ZINC000001410198 425579401 /nfs/dbraw/zinc/57/94/01/425579401.db2.gz QAZPRMKEAXGRIT-UHFFFAOYSA-N -1 0 311.341 2.711 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(F)F)C(=O)O1 ZINC000002646930 425597916 /nfs/dbraw/zinc/59/79/16/425597916.db2.gz FIDWZKBNRJKPJM-UZYOAWRESA-N -1 0 322.263 2.516 50 30 DFEARM COc1cc(/C=N/[O-])ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002993246 425608992 /nfs/dbraw/zinc/60/89/92/425608992.db2.gz DSURLSDBSHMHDJ-MHWRWJLKSA-N -1 0 321.354 2.579 50 30 DFEARM C=CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O ZINC000016138351 425784755 /nfs/dbraw/zinc/78/47/55/425784755.db2.gz ZWFISSUXTFPASB-JXMROGBWSA-N -1 0 306.299 2.523 50 30 DFEARM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CC1(Cl)Cl ZINC000048403761 425875323 /nfs/dbraw/zinc/87/53/23/425875323.db2.gz SHCAREPLLBQQJM-SNVBAGLBSA-N -1 0 308.186 2.916 50 30 DFEARM C=CCSCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000048452693 425875749 /nfs/dbraw/zinc/87/57/49/425875749.db2.gz IZVKAOJTOWJBAI-UHFFFAOYSA-N -1 0 315.416 2.650 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C(F)(F)F)c1 ZINC000103502556 425950298 /nfs/dbraw/zinc/95/02/98/425950298.db2.gz NDNCYHJCEOGKFS-GFCCVEGCSA-N -1 0 310.275 2.650 50 30 DFEARM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(F)cc(F)c1 ZINC000103503580 425951734 /nfs/dbraw/zinc/95/17/34/425951734.db2.gz GLIHWXLCMMWWOX-OAHLLOKOSA-N -1 0 314.291 2.604 50 30 DFEARM CCN(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000096408018 426416351 /nfs/dbraw/zinc/41/63/51/426416351.db2.gz CAFYLVRIJCXTNL-NSHDSACASA-N -1 0 316.398 2.862 50 30 DFEARM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c1 ZINC000097083173 426447127 /nfs/dbraw/zinc/44/71/27/426447127.db2.gz USXPBVFJMIHEQZ-GFCCVEGCSA-N -1 0 311.407 2.541 50 30 DFEARM Cc1cc(C(=O)C(C#N)=C([O-])c2c[nH]c3cc(C)ccc23)n(C)n1 ZINC000100871450 426483598 /nfs/dbraw/zinc/48/35/98/426483598.db2.gz MHRGDQXQQGPART-ZDUSSCGKSA-N -1 0 320.352 2.724 50 30 DFEARM O=C1c2ccccc2C(=O)C1=C(N=c1[n-]nc[nH]1)c1ccccc1 ZINC000245240481 426732526 /nfs/dbraw/zinc/73/25/26/426732526.db2.gz WGAUBJOXZRVWTR-UHFFFAOYSA-N -1 0 316.320 2.621 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C#N)cc1 ZINC000252461405 427173171 /nfs/dbraw/zinc/17/31/71/427173171.db2.gz LZOBSXUXVXYMGO-UHFFFAOYSA-N -1 0 303.325 2.749 50 30 DFEARM CN(CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000091436931 522404592 /nfs/dbraw/zinc/40/45/92/522404592.db2.gz FIIMAMXBPCKTFM-UHFFFAOYSA-N -1 0 322.361 2.607 50 30 DFEARM Cc1ccccc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000097002731 185396527 /nfs/dbraw/zinc/39/65/27/185396527.db2.gz OPHHSAKQFGBISK-ZIAGYGMSSA-N -1 0 316.382 2.839 50 30 DFEARM Cc1cccc(C[C@H](CNC(=O)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC000097018758 185398034 /nfs/dbraw/zinc/39/80/34/185398034.db2.gz SLOKPTFMSUAUOW-QGZVFWFLSA-N -1 0 322.364 2.540 50 30 DFEARM C=CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002564711 180935734 /nfs/dbraw/zinc/93/57/34/180935734.db2.gz YIRRNENSHUFZBH-AWEZNQCLSA-N -1 0 321.373 2.772 50 30 DFEARM Cc1ccc(/C=C2\Oc3cc(OCC(=O)[O-])ccc3C2=O)o1 ZINC000004085384 181071445 /nfs/dbraw/zinc/07/14/45/181071445.db2.gz FIVNRIAUHSJYBC-AUWJEWJLSA-N -1 0 300.266 2.668 50 30 DFEARM Cc1cccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)n1 ZINC000004480985 181112728 /nfs/dbraw/zinc/11/27/28/181112728.db2.gz NWODCELCAUIOAF-NVMNQCDNSA-N -1 0 317.356 2.964 50 30 DFEARM CC(C)C(=O)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000096442829 193647695 /nfs/dbraw/zinc/64/76/95/193647695.db2.gz BXJYTCNUIRKDCW-UHFFFAOYSA-N -1 0 320.208 2.891 50 30 DFEARM C=CCN1C(=O)C(=NNc2ccccc2C(=O)[O-])c2ccccc21 ZINC000013459045 181851977 /nfs/dbraw/zinc/85/19/77/181851977.db2.gz KEZCNBHHDFUDIT-SILNSSARSA-N -1 0 321.336 2.734 50 30 DFEARM O=C([O-])[C@H]1CS[C@@H](c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000013839802 304202363 /nfs/dbraw/zinc/20/23/63/304202363.db2.gz FMMCEXVCWYTNEH-SJORKVTESA-N -1 0 309.390 2.875 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000096442341 256555807 /nfs/dbraw/zinc/55/58/07/256555807.db2.gz RNSJOMAZGRQFHH-NXEZZACHSA-N -1 0 303.330 2.765 50 30 DFEARM Cc1oc(CNC(=O)c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000328595053 257264858 /nfs/dbraw/zinc/26/48/58/257264858.db2.gz JOKIYXBKGCGPFA-UHFFFAOYSA-N -1 0 303.270 2.520 50 30 DFEARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2C#N)C1 ZINC000067173492 425909299 /nfs/dbraw/zinc/90/92/99/425909299.db2.gz BHWWHVJMCKAYGA-KGLIPLIRSA-N -1 0 316.357 2.593 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1ccc2noc(-c3ccccc3)c2c1 ZINC000102389136 425919801 /nfs/dbraw/zinc/91/98/01/425919801.db2.gz YKBLQLNWXCBNHI-AWEZNQCLSA-N -1 0 319.320 2.563 50 30 DFEARM COc1ccc(Cl)cc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000102781565 425928649 /nfs/dbraw/zinc/92/86/49/425928649.db2.gz XGQZAHUHPBXTRE-UJAVWCLSSA-N -1 0 320.728 2.577 50 30 DFEARM O=C1Nc2ccccc2[C@]1(O)C/C(=N/[O-])c1ccc(Cl)cc1 ZINC000000442854 425562134 /nfs/dbraw/zinc/56/21/34/425562134.db2.gz YHJOTLUAZDXJQN-BAACNHRGSA-N -1 0 316.744 2.748 50 30 DFEARM COc1ccc(C(=O)C=CNc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000000489108 425563980 /nfs/dbraw/zinc/56/39/80/425563980.db2.gz FNYOIWJFEWARPD-CMDGGOBGSA-N -1 0 313.309 2.908 50 30 DFEARM CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)n1cccn1 ZINC000002572520 425596702 /nfs/dbraw/zinc/59/67/02/425596702.db2.gz QFNFDHNZVTWZED-UHFFFAOYSA-N -1 0 310.354 2.547 50 30 DFEARM CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@H]1c1cccc(F)c1 ZINC000004149813 425615985 /nfs/dbraw/zinc/61/59/85/425615985.db2.gz CTEZIVZHEPGUNS-HNNXBMFYSA-N -1 0 312.300 2.710 50 30 DFEARM O=C([O-])c1ccccc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000005800014 425624881 /nfs/dbraw/zinc/62/48/81/425624881.db2.gz IXCKMRSZAIOMKV-XMHGGMMESA-N -1 0 309.369 2.541 50 30 DFEARM O=C([O-])c1ccc(CN=Nc2nncc(-c3ccccc3)n2)cc1 ZINC000015016478 425778813 /nfs/dbraw/zinc/77/88/13/425778813.db2.gz JSADAEXCPUSOER-VCHYOVAHSA-N -1 0 319.324 2.683 50 30 DFEARM Cc1cc([O-])c(C(=O)C=Cc2c[nH]nc2-c2ccccc2)c(=O)o1 ZINC000036621304 425846006 /nfs/dbraw/zinc/84/60/06/425846006.db2.gz JPZMTECSIIUTDM-BQYQJAHWSA-N -1 0 322.320 2.940 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)cc1C ZINC000048474680 425875606 /nfs/dbraw/zinc/87/56/06/425875606.db2.gz CUBXKZPICZLSEJ-ZDUSSCGKSA-N -1 0 311.403 2.908 50 30 DFEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)c1 ZINC000048472419 425875716 /nfs/dbraw/zinc/87/57/16/425875716.db2.gz LOOHZKFCIRWEBK-ZDUSSCGKSA-N -1 0 311.403 2.908 50 30 DFEARM COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000048594882 425876135 /nfs/dbraw/zinc/87/61/35/425876135.db2.gz NANZTMXWJWJHQB-UHFFFAOYSA-N -1 0 305.355 2.530 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000103502547 425950327 /nfs/dbraw/zinc/95/03/27/425950327.db2.gz PSYOPECJFVSLPW-LBPRGKRZSA-N -1 0 310.275 2.650 50 30 DFEARM C=C1C(=NNc2ccc(C(=O)OC)cc2)C(=O)N=C([O-])C1C#N ZINC000096316470 426414068 /nfs/dbraw/zinc/41/40/68/426414068.db2.gz PUKCDGRXIAJLAE-VHEBQXMUSA-N -1 0 312.285 2.875 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1ccc(Br)s1 ZINC000096416219 426418230 /nfs/dbraw/zinc/41/82/30/426418230.db2.gz INNXATOJVZRUCX-UHFFFAOYSA-N -1 0 312.210 2.555 50 30 DFEARM Cn1cc(S(=O)(=O)[N-]C(=O)CCC=Cc2ccccc2)cn1 ZINC000096416149 426418280 /nfs/dbraw/zinc/41/82/80/426418280.db2.gz PKZWNMKGDWCLFW-WEVVVXLNSA-N -1 0 319.386 2.559 50 30 DFEARM CN(CC(=O)[N-]S(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000096485546 426434993 /nfs/dbraw/zinc/43/49/93/426434993.db2.gz IZOWCFAVVUDSJV-UHFFFAOYSA-N -1 0 324.427 2.525 50 30 DFEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccccc2C)C(=O)CC1(C)C ZINC000100318975 426482226 /nfs/dbraw/zinc/48/22/26/426482226.db2.gz UUUORTXBIWGDLY-PABFRNLHSA-N -1 0 315.369 2.648 50 30 DFEARM Cc1cc(C(=O)C(C#N)=C([O-])c2c[nH]c3cc(C)ccc23)n(C)n1 ZINC000100871448 426483428 /nfs/dbraw/zinc/48/34/28/426483428.db2.gz MHRGDQXQQGPART-CYBMUJFWSA-N -1 0 320.352 2.724 50 30 DFEARM CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000082111704 522370066 /nfs/dbraw/zinc/37/00/66/522370066.db2.gz LZSZJDHVNLQPGT-MFKMUULPSA-N -1 0 312.797 2.885 50 30 DFEARM COc1cccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2F)c1 ZINC000058186491 526243444 /nfs/dbraw/zinc/24/34/44/526243444.db2.gz GEQRASYIVILWOT-UHFFFAOYSA-N -1 0 323.345 2.722 50 30 DFEARM Cc1nc(C)c(-c2nnc([N-]C(=O)c3snnc3C)o2)s1 ZINC000049029319 526687029 /nfs/dbraw/zinc/68/70/29/526687029.db2.gz YXPJXCAIDMYPEC-UHFFFAOYSA-N -1 0 322.375 2.606 50 30 DFEARM N#CCc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000299751831 563938874 /nfs/dbraw/zinc/93/88/74/563938874.db2.gz RYCQRTHFVBDCLV-BPUTZDHNSA-N -1 0 312.369 2.611 50 30 DFEARM C=CCNC(=O)CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925482 398347713 /nfs/dbraw/zinc/34/77/13/398347713.db2.gz HGMWMJIRFUSFAL-UHFFFAOYSA-N -1 0 323.443 2.593 50 30 DFEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)CCC(=O)[O-])sc2C1 ZINC000002737458 180950262 /nfs/dbraw/zinc/95/02/62/180950262.db2.gz YTXCOFDSTCZBBT-SECBINFHSA-N -1 0 306.387 2.938 50 30 DFEARM N#CCCn1cc(C(=O)[O-])c(-c2cccc(Br)c2)n1 ZINC000003410493 181016592 /nfs/dbraw/zinc/01/65/92/181016592.db2.gz XOSCPOXWRVEGCB-UHFFFAOYSA-N -1 0 320.146 2.924 50 30 DFEARM CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccccn1 ZINC000004996166 181187343 /nfs/dbraw/zinc/18/73/43/181187343.db2.gz IYMSGTQAIDGAIM-KEBDBYFISA-N -1 0 303.329 2.737 50 30 DFEARM O=C([O-])COc1ccc(/C=C2/COc3ccccc3C2=O)cc1 ZINC000006496339 181345529 /nfs/dbraw/zinc/34/55/29/181345529.db2.gz WKPOAJGVIWCACF-LCYFTJDESA-N -1 0 310.305 2.809 50 30 DFEARM Cc1ccc(/N=C2/S[C@H](CC(=O)[O-])C(=O)N2C)cc1Cl ZINC000020395233 182214277 /nfs/dbraw/zinc/21/42/77/182214277.db2.gz VLDZLPLYKWJVHP-NIZNLAEJSA-N -1 0 312.778 2.684 50 30 DFEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC(C)(C)C ZINC000054488194 183941999 /nfs/dbraw/zinc/94/19/99/183941999.db2.gz NWWVDWRGVKJKLR-UHFFFAOYSA-N -1 0 314.363 2.985 50 30 DFEARM O=C(CCC(F)(F)F)[N-]S(=O)(=O)N1CCCCCCC1 ZINC000076913611 542476546 /nfs/dbraw/zinc/47/65/46/542476546.db2.gz YNDIUQHDSLFVSS-UHFFFAOYSA-N -1 0 316.345 2.796 50 30 DFEARM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1SCCc2ccccc21 ZINC000076910386 542476838 /nfs/dbraw/zinc/47/68/38/542476838.db2.gz VUDBROKFGTZWDT-ZDUSSCGKSA-N -1 0 313.444 2.959 50 30 DFEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)cc1 ZINC000048452019 256536500 /nfs/dbraw/zinc/53/65/00/256536500.db2.gz REUSXCYVFXNNDH-UHFFFAOYSA-N -1 0 323.370 2.956 50 30 DFEARM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461302 256536515 /nfs/dbraw/zinc/53/65/15/256536515.db2.gz VJFMUUFRXJPTMG-SSDOTTSWSA-N -1 0 309.796 2.616 50 30 DFEARM COc1ccc(C=CC([O-])=C2C(=O)c3ccccc3C2=O)cc1 ZINC000101429287 256569289 /nfs/dbraw/zinc/56/92/89/256569289.db2.gz VOIZQEJFNCFGNP-DHZHZOJOSA-N -1 0 306.317 2.973 50 30 DFEARM COc1cccc(NC=CC([O-])=C2C(=O)CC(C)(C)CC2=O)c1 ZINC000100373607 257233612 /nfs/dbraw/zinc/23/36/12/257233612.db2.gz MDJWMDASVMOMLG-FPLPWBNLSA-N -1 0 315.369 2.764 50 30 DFEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1c[nH]c2ccccc12 ZINC000001256105 425576818 /nfs/dbraw/zinc/57/68/18/425576818.db2.gz FESULKVNFWYVIU-UBKPWBPPSA-N -1 0 311.292 2.949 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccccc2OC(F)F)C(=O)O1 ZINC000002646928 425597898 /nfs/dbraw/zinc/59/78/98/425597898.db2.gz FIDWZKBNRJKPJM-PSKZRQQASA-N -1 0 322.263 2.516 50 30 DFEARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007505232 425645543 /nfs/dbraw/zinc/64/55/43/425645543.db2.gz UJPYEPMZISRJDQ-UHFFFAOYSA-N -1 0 300.339 2.562 50 30 DFEARM COc1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)c(OC)c1 ZINC000013125157 425748077 /nfs/dbraw/zinc/74/80/77/425748077.db2.gz VHGRKJFEYYBBLR-FNORWQNLSA-N -1 0 316.309 2.567 50 30 DFEARM Cc1cc(C(F)(F)F)nc(N=NCc2ccccc2C(=O)[O-])n1 ZINC000013643460 425758247 /nfs/dbraw/zinc/75/82/47/425758247.db2.gz HBNXXKVRFVCCRW-CNHKJKLMSA-N -1 0 324.262 2.948 50 30 DFEARM Cc1c([O-])c(C(=O)/C=C/N(C)C)cc2c3c(c(=O)oc12)CCC3 ZINC000013690911 425758470 /nfs/dbraw/zinc/75/84/70/425758470.db2.gz MYCJCNUDEFYYGK-BQYQJAHWSA-N -1 0 313.353 2.554 50 30 DFEARM Cc1nc(=O)[n-]c(SCCCOc2ccccc2)c1C#N ZINC000032754563 425839548 /nfs/dbraw/zinc/83/95/48/425839548.db2.gz BUAZEHYVOHLMKH-UHFFFAOYSA-N -1 0 301.371 2.924 50 30 DFEARM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c1 ZINC000095940208 426375464 /nfs/dbraw/zinc/37/54/64/426375464.db2.gz YNSQJJQHWAJFKX-UHFFFAOYSA-N -1 0 324.793 2.790 50 30 DFEARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000096442093 426426231 /nfs/dbraw/zinc/42/62/31/426426231.db2.gz ISOZLIGYCLRFKV-VIFPVBQESA-N -1 0 302.396 2.653 50 30 DFEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCO2 ZINC000100329296 426481978 /nfs/dbraw/zinc/48/19/78/426481978.db2.gz MELIVFHSVDOGAB-KNTRCKAVSA-N -1 0 322.324 2.606 50 30 DFEARM Cc1cccc2c1N(CCCOc1ccccc1)C(=O)C2=N[O-] ZINC000253388864 427201576 /nfs/dbraw/zinc/20/15/76/427201576.db2.gz KTTAPVFKAQKXNZ-UHFFFAOYSA-N -1 0 310.353 2.989 50 30 DFEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(C(C)(C)C)cc1 ZINC000040116200 520555038 /nfs/dbraw/zinc/55/50/38/520555038.db2.gz ZVWLCJNJAIBHEZ-UHFFFAOYSA-N -1 0 312.435 2.977 50 30 DFEARM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CC=CCC1 ZINC000048677071 523346420 /nfs/dbraw/zinc/34/64/20/523346420.db2.gz ZKAXKBQYGWFGBN-AWEZNQCLSA-N -1 0 308.403 2.676 50 30 DFEARM COCCOc1ccccc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000066504301 524058452 /nfs/dbraw/zinc/05/84/52/524058452.db2.gz AXWZNPPQJGGISF-ZDUSSCGKSA-N -1 0 316.382 2.967 50 30 DFEARM Cc1cccc2c1nc1[n-]c(NN=Cc3cccc(O)c3)nnc2-1 ZINC000032609462 524968577 /nfs/dbraw/zinc/96/85/77/524968577.db2.gz RZKVRLCGFZJULL-NVMNQCDNSA-N -1 0 318.340 2.966 50 30 DFEARM Cc1ccccc1NC(=O)C(=N[O-])C(=O)Nc1ccccc1C ZINC000001410190 180863424 /nfs/dbraw/zinc/86/34/24/180863424.db2.gz YLGYENMULMZZSW-UHFFFAOYSA-N -1 0 311.341 2.711 50 30 DFEARM N#CCCn1cc(C(=O)[O-])c(-c2ccc(Br)cc2)n1 ZINC000003356861 181011217 /nfs/dbraw/zinc/01/12/17/181011217.db2.gz JVQOABMDVPBXPA-UHFFFAOYSA-N -1 0 320.146 2.924 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccccc2)cc1 ZINC000003998712 181060499 /nfs/dbraw/zinc/06/04/99/181060499.db2.gz YCZRVDXTUMRYJQ-UHFFFAOYSA-N -1 0 321.427 2.586 50 30 DFEARM N#Cc1ccc([C@@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000004085639 181071032 /nfs/dbraw/zinc/07/10/32/181071032.db2.gz OUCJFSOWHZMGPD-MRXNPFEDSA-N -1 0 306.321 2.730 50 30 DFEARM O=[N+]([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000004901110 181170405 /nfs/dbraw/zinc/17/04/05/181170405.db2.gz XUDLIWKBFUXJLH-RIYZIHGNSA-N -1 0 315.314 2.991 50 30 DFEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000091636870 193082652 /nfs/dbraw/zinc/08/26/52/193082652.db2.gz XBILHRIFTGEZDK-KRWDZBQOSA-N -1 0 323.339 2.777 50 30 DFEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2cccs2)C1 ZINC000091997378 193138286 /nfs/dbraw/zinc/13/82/86/193138286.db2.gz BYTNEBVEIJKWDR-INIZCTEOSA-N -1 0 307.415 2.950 50 30 DFEARM CS(=O)(=O)[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000096404762 193620302 /nfs/dbraw/zinc/62/03/02/193620302.db2.gz SIPZBTXTVWKYJH-UHFFFAOYSA-N -1 0 318.807 2.798 50 30 DFEARM COc1cc(/C=N/O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000018105595 182093268 /nfs/dbraw/zinc/09/32/68/182093268.db2.gz VUMURMIANPQZCK-RQZCQDPDSA-N -1 0 301.298 2.781 50 30 DFEARM N#Cc1c2c(c(C3CCCCC3)nc1OCC(=O)[O-])CCC2 ZINC000032092922 182634109 /nfs/dbraw/zinc/63/41/09/182634109.db2.gz GGDWDESEHYFLCZ-UHFFFAOYSA-N -1 0 300.358 2.953 50 30 DFEARM Cc1ccccc1OCCCN1c2ccccc2/C(=N/[O-])C1=O ZINC000039853895 183022682 /nfs/dbraw/zinc/02/26/82/183022682.db2.gz YGLBVOPQJCBXCJ-ZPHPHTNESA-N -1 0 310.353 2.989 50 30 DFEARM CC(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000058304555 184103008 /nfs/dbraw/zinc/10/30/08/184103008.db2.gz SJRLJALWLYBSCL-UHFFFAOYSA-N -1 0 320.292 2.878 50 30 DFEARM O=C(N=S(=O)([O-])c1cccs1)Nc1ccc(F)cc1 ZINC000071772492 542462148 /nfs/dbraw/zinc/46/21/48/542462148.db2.gz RUAYSHDBKYSSCN-UHFFFAOYSA-N -1 0 300.336 2.602 50 30 DFEARM COc1ccc(N=Nc2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100005539 256559779 /nfs/dbraw/zinc/55/97/79/256559779.db2.gz HLMBGABCYDFMSR-KNTRCKAVSA-N -1 0 308.341 2.886 50 30 DFEARM CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000067456712 425910708 /nfs/dbraw/zinc/91/07/08/425910708.db2.gz ICQYXOWBEDROJY-QWHCGFSZSA-N -1 0 314.341 2.562 50 30 DFEARM Cc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1 ZINC000097049052 262546444 /nfs/dbraw/zinc/54/64/44/262546444.db2.gz VJKUDJSEUHJBHF-GFCCVEGCSA-N -1 0 322.386 2.648 50 30 DFEARM O=C([O-])COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000316356 425552361 /nfs/dbraw/zinc/55/23/61/425552361.db2.gz AMZAIPJCFMJTPM-UHFFFAOYSA-N -1 0 308.289 2.613 50 30 DFEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1O ZINC000001307647 425578228 /nfs/dbraw/zinc/57/82/28/425578228.db2.gz ANFCIYZZTVJVFJ-OVCLIPMQSA-N -1 0 316.342 2.797 50 30 DFEARM CCCCCCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000002273523 425591624 /nfs/dbraw/zinc/59/16/24/425591624.db2.gz ZYKNCPDOQKVWEU-UHFFFAOYSA-N -1 0 316.401 2.863 50 30 DFEARM CC[C@H]1CCCCN1C(=O)N=S(=O)([O-])c1ccc(C)cc1 ZINC000003257546 425613733 /nfs/dbraw/zinc/61/37/33/425613733.db2.gz HFJSJZYFKPNXDU-ZDUSSCGKSA-N -1 0 310.419 2.862 50 30 DFEARM C/C(=N\Nc1nc(=O)c(Cc2ccccc2)n[n-]1)c1ccccc1 ZINC000005126315 425622315 /nfs/dbraw/zinc/62/23/15/425622315.db2.gz PVIYFBBEWNNVFI-DEDYPNTBSA-N -1 0 319.368 2.592 50 30 DFEARM Cc1ccc(S(=O)(=O)[N-]C(=S)NC2CCCCC2)cc1 ZINC000013683124 425759142 /nfs/dbraw/zinc/75/91/42/425759142.db2.gz ZXRDXVAFRQBJQE-UHFFFAOYSA-N -1 0 312.460 2.892 50 30 DFEARM N#CCc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000029967111 425829403 /nfs/dbraw/zinc/82/94/03/425829403.db2.gz XZQISGKAIBYQQR-UHFFFAOYSA-N -1 0 308.309 2.832 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)C1CCCC1 ZINC000048519856 425875812 /nfs/dbraw/zinc/87/58/12/425875812.db2.gz PVBCXGFSYGBCTA-UHFFFAOYSA-N -1 0 311.388 2.527 50 30 DFEARM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(F)cc(F)c1 ZINC000103503921 425951263 /nfs/dbraw/zinc/95/12/63/425951263.db2.gz YAPSXIJJKVJCJO-AWEZNQCLSA-N -1 0 306.312 2.736 50 30 DFEARM O=C([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1ccoc1 ZINC000096474047 426432512 /nfs/dbraw/zinc/43/25/12/426432512.db2.gz PXCXYWOQAUSQCO-UHFFFAOYSA-N -1 0 317.725 2.907 50 30 DFEARM COc1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc1OC ZINC000100279403 426482185 /nfs/dbraw/zinc/48/21/85/426482185.db2.gz GDVXNIUZGNCPOX-GQCTYLIASA-N -1 0 316.309 2.567 50 30 DFEARM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000225449677 426601723 /nfs/dbraw/zinc/60/17/23/426601723.db2.gz RFIIWUPDNRWCMJ-KBUPBQIOSA-N -1 0 313.401 2.918 50 30 DFEARM C=CCOc1ccccc1CN1C(=O)C(=N[O-])c2ccccc21 ZINC000252458432 427173560 /nfs/dbraw/zinc/17/35/60/427173560.db2.gz HOHUXERHRNZHKI-UHFFFAOYSA-N -1 0 308.337 2.977 50 30 DFEARM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000078442026 337370972 /nfs/dbraw/zinc/37/09/72/337370972.db2.gz ROHIYVLVVQYAKG-JTQLQIEISA-N -1 0 305.421 2.845 50 30 DFEARM COc1n[nH]c(NC(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000097233780 337382497 /nfs/dbraw/zinc/38/24/97/337382497.db2.gz OEBKGCHPKFWLFB-UHFFFAOYSA-N -1 0 304.203 2.608 50 30 DFEARM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000058419392 519669364 /nfs/dbraw/zinc/66/93/64/519669364.db2.gz CTPZAIIYUARVCX-NSHDSACASA-N -1 0 317.382 2.922 50 30 DFEARM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1 ZINC000095406064 519774068 /nfs/dbraw/zinc/77/40/68/519774068.db2.gz FAPHGBGBLOTFHT-LLVKDONJSA-N -1 0 315.439 2.613 50 30 DFEARM Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2cscn2)c1 ZINC000073087060 524791068 /nfs/dbraw/zinc/79/10/68/524791068.db2.gz LYJOOBBKYPFWEY-UHFFFAOYSA-N -1 0 310.400 2.730 50 30 DFEARM COc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1OC ZINC000095385805 524997221 /nfs/dbraw/zinc/99/72/21/524997221.db2.gz XOGZNKOZPBNFBC-UHFFFAOYSA-N -1 0 313.375 2.539 50 30 DFEARM Cc1cscc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000095440726 185366123 /nfs/dbraw/zinc/36/61/23/185366123.db2.gz IPFNRTIFIWJLIW-UHFFFAOYSA-N -1 0 316.791 2.798 50 30 DFEARM CSc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000003543731 181032211 /nfs/dbraw/zinc/03/22/11/181032211.db2.gz KTVPNEFFBODWDC-PXTSUWAFSA-N -1 0 302.351 2.637 50 30 DFEARM Cc1cccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)n1 ZINC000004596706 181128956 /nfs/dbraw/zinc/12/89/56/181128956.db2.gz ILWZUBYDJORAKV-RQZCQDPDSA-N -1 0 303.329 2.656 50 30 DFEARM Cc1cccc2c(CCC(=O)Nc3nc(C#N)c(C#N)[n-]3)c[nH]c21 ZINC000076083010 191573556 /nfs/dbraw/zinc/57/35/56/191573556.db2.gz WDQYWMOFANVXEM-UHFFFAOYSA-N -1 0 318.340 2.514 50 30 DFEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2cccs2)C1 ZINC000091997379 193138597 /nfs/dbraw/zinc/13/85/97/193138597.db2.gz BYTNEBVEIJKWDR-MRXNPFEDSA-N -1 0 307.415 2.950 50 30 DFEARM C=CCSC1=NC(=O)C(Cc2ccc(OCC)cc2)C([O-])=N1 ZINC000016361277 182042169 /nfs/dbraw/zinc/04/21/69/182042169.db2.gz AHQYASOYYYGZJZ-UHFFFAOYSA-N -1 0 318.398 2.743 50 30 DFEARM COc1cc(C=NO)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000250389364 257213826 /nfs/dbraw/zinc/21/38/26/257213826.db2.gz ROHOMDYTVTWLAA-UHFFFAOYSA-N -1 0 301.298 2.781 50 30 DFEARM COC(=O)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000000240733 292006539 /nfs/dbraw/zinc/00/65/39/292006539.db2.gz BBJRIAYYGQZZBU-CXUHLZMHSA-N -1 0 300.270 2.838 50 30 DFEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2cccs2)c1 ZINC000000234326 425546091 /nfs/dbraw/zinc/54/60/91/425546091.db2.gz RNLODDWUDBLNSO-RIYZIHGNSA-N -1 0 305.384 2.767 50 30 DFEARM C#CC1(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)CCCCC1 ZINC000004108752 425617926 /nfs/dbraw/zinc/61/79/26/425617926.db2.gz OHTKDLZIDUKGAG-UHFFFAOYSA-N -1 0 320.414 2.523 50 30 DFEARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000010514991 425703239 /nfs/dbraw/zinc/70/32/39/425703239.db2.gz XXUJEIQCIHMTCY-UHFFFAOYSA-N -1 0 311.750 2.617 50 30 DFEARM CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000016482407 425786088 /nfs/dbraw/zinc/78/60/88/425786088.db2.gz AFIFHSKIAGQJPZ-UHFFFAOYSA-N -1 0 306.387 2.938 50 30 DFEARM CCCCn1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O ZINC000013013638 425746924 /nfs/dbraw/zinc/74/69/24/425746924.db2.gz VWEGHMBCOBQAGY-UHFFFAOYSA-N -1 0 314.316 2.596 50 30 DFEARM C=CCN1C(=O)[N-]C(=O)C(=Cc2cn(CC)c3ccccc23)C1=O ZINC000013752053 425762415 /nfs/dbraw/zinc/76/24/15/425762415.db2.gz LSVDMHFPLSUAHM-GXDHUFHOSA-N -1 0 323.352 2.513 50 30 DFEARM C=CCOc1ccccc1CN1c2ccccc2/C(=N/[O-])C1=O ZINC000046085074 425863952 /nfs/dbraw/zinc/86/39/52/425863952.db2.gz HOHUXERHRNZHKI-ZPHPHTNESA-N -1 0 308.337 2.977 50 30 DFEARM CN(C)c1ccc(/C=C2/C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000027548300 425817145 /nfs/dbraw/zinc/81/71/45/425817145.db2.gz PSDHKAMWKYOVTK-SXGWCWSVSA-N -1 0 321.332 2.913 50 30 DFEARM COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc(OC)c1 ZINC000032922432 425840598 /nfs/dbraw/zinc/84/05/98/425840598.db2.gz NBXUQQIABHGHSO-HWKANZROSA-N -1 0 310.309 2.839 50 30 DFEARM N#CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000036563351 425845919 /nfs/dbraw/zinc/84/59/19/425845919.db2.gz SZHHVPOCAABCBR-HZPDHXFCSA-N -1 0 314.385 2.820 50 30 DFEARM N#Cc1[n-]c(=O)n(Cc2ccccc2)c1NCc1ccccc1 ZINC000047843824 425871797 /nfs/dbraw/zinc/87/17/97/425871797.db2.gz WTUGULJHOCUDMI-UHFFFAOYSA-N -1 0 304.353 2.708 50 30 DFEARM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000048531637 425875955 /nfs/dbraw/zinc/87/59/55/425875955.db2.gz NYRMVRZVQNVSRE-CQSZACIVSA-N -1 0 304.371 2.921 50 30 DFEARM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000048531636 425875997 /nfs/dbraw/zinc/87/59/97/425875997.db2.gz NYRMVRZVQNVSRE-AWEZNQCLSA-N -1 0 304.371 2.921 50 30 DFEARM CC[C@@H]1CCCCCN1C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000075503614 426075236 /nfs/dbraw/zinc/07/52/36/426075236.db2.gz YGRDEIHZAXMYCN-GFCCVEGCSA-N -1 0 319.430 2.763 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000096416196 426418151 /nfs/dbraw/zinc/41/81/51/426418151.db2.gz QRNPDBWQYUINRW-UHFFFAOYSA-N -1 0 308.359 2.694 50 30 DFEARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)cc1 ZINC000123411929 426432329 /nfs/dbraw/zinc/43/23/29/426432329.db2.gz HXJGQKDQUXRJJZ-NSHDSACASA-N -1 0 318.402 2.606 50 30 DFEARM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000097164895 426456153 /nfs/dbraw/zinc/45/61/53/426456153.db2.gz OSRYUYUHZZKWKA-UHFFFAOYSA-N -1 0 311.725 2.547 50 30 DFEARM O=C(C=C([O-])C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000100321904 426482067 /nfs/dbraw/zinc/48/20/67/426482067.db2.gz GYQLGOFXHBMNRM-UHFFFAOYSA-N -1 0 308.071 2.910 50 30 DFEARM O=C1c2ccccc2C(=O)C1=C(N=c1[n-]nc[nH]1)c1ccccc1 ZINC000100937363 426483440 /nfs/dbraw/zinc/48/34/40/426483440.db2.gz WGAUBJOXZRVWTR-QNGOZBTKSA-N -1 0 316.320 2.621 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)nc1C ZINC000102051165 426487771 /nfs/dbraw/zinc/48/77/71/426487771.db2.gz BMRICGVDNGNUMS-INIZCTEOSA-N -1 0 321.380 2.906 50 30 DFEARM COc1ccc(C(=O)C(C#N)=N[N-]c2ccccc2[N+](=O)[O-])cc1 ZINC000252603400 427190081 /nfs/dbraw/zinc/19/00/81/427190081.db2.gz FQIDYNXWMIMEMA-UHFFFAOYSA-N -1 0 324.296 2.778 50 30 DFEARM N#Cc1c(=O)[n-]c2c(c1-c1ccncc1)COc1ccccc1-2 ZINC000013657823 303174038 /nfs/dbraw/zinc/17/40/38/303174038.db2.gz GXUJILPZVBWOIY-UHFFFAOYSA-N -1 0 301.305 2.868 50 30 DFEARM CCN(CC(=O)[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000091436903 520291958 /nfs/dbraw/zinc/29/19/58/520291958.db2.gz GETGQEBBSQBGNW-UHFFFAOYSA-N -1 0 324.427 2.920 50 30 DFEARM FC(F)(F)c1cccc(-c2ccc(CN=Nc3nnn[n-]3)o2)c1 ZINC000005205870 181217107 /nfs/dbraw/zinc/21/71/07/181217107.db2.gz HVNIQFZMNFPWEF-REZTVBANSA-N -1 0 322.250 2.925 50 30 DFEARM O=c1c2ccccc2nc(N=NCc2ccc(Cl)cc2)n1[O-] ZINC000005389466 181237796 /nfs/dbraw/zinc/23/77/96/181237796.db2.gz FQLTYWWODWIOBP-RQZCQDPDSA-N -1 0 314.732 2.733 50 30 DFEARM N#Cc1cccnc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000170600122 399008524 /nfs/dbraw/zinc/00/85/24/399008524.db2.gz SIIXSALHFIKENZ-UHFFFAOYSA-N -1 0 311.366 2.682 50 30 DFEARM CCOC(=O)C1=C([O-])CSC1=Nc1ccc(F)c(Cl)c1 ZINC000006857813 181398526 /nfs/dbraw/zinc/39/85/26/181398526.db2.gz HPSRHQAFIZODEQ-UHFFFAOYSA-N -1 0 315.753 2.982 50 30 DFEARM O=C1/C(=N\[O-])c2ccccc2N1CCOc1ccccc1Cl ZINC000039853886 183022543 /nfs/dbraw/zinc/02/25/43/183022543.db2.gz PWRMFFNKZFPUMO-SDXDJHTJSA-N -1 0 316.744 2.944 50 30 DFEARM O=C([O-])c1ccc2[nH]c(-c3ccc(C#CCCO)cc3)nc2c1 ZINC000055341679 304254664 /nfs/dbraw/zinc/25/46/64/304254664.db2.gz ZLJOLCLMIPSQAW-UHFFFAOYSA-N -1 0 306.321 2.662 50 30 DFEARM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000100026680 256559713 /nfs/dbraw/zinc/55/97/13/256559713.db2.gz SUORUQZBFOQDGX-UHFFFAOYSA-N -1 0 308.071 2.910 50 30 DFEARM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000102708221 256573260 /nfs/dbraw/zinc/57/32/60/256573260.db2.gz XPMLOECADPPSLA-LBPRGKRZSA-N -1 0 323.190 2.605 50 30 DFEARM CCOc1ccc(C#N)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000067456708 425910642 /nfs/dbraw/zinc/91/06/42/425910642.db2.gz ICQYXOWBEDROJY-STQMWFEESA-N -1 0 314.341 2.562 50 30 DFEARM O=C([O-])c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl ZINC000000047320 425531481 /nfs/dbraw/zinc/53/14/81/425531481.db2.gz RYMQSHYSHAMFEG-NGYBGAFCSA-N -1 0 316.704 2.772 50 30 DFEARM COc1ccc(-c2cc(-c3cccnc3)c(C#N)c(=O)[n-]2)cc1 ZINC000000130564 425539236 /nfs/dbraw/zinc/53/92/36/425539236.db2.gz GLTVLDQXFSQDEN-UHFFFAOYSA-N -1 0 303.321 2.984 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(F)cc2)cc1 ZINC000000213788 425545239 /nfs/dbraw/zinc/54/52/39/425545239.db2.gz YIYVUBGDHLQVPT-UHFFFAOYSA-N -1 0 308.334 2.849 50 30 DFEARM C/C(=N/OCC(=O)Nc1ccccc1C(=O)[O-])c1cccs1 ZINC000000348341 425553858 /nfs/dbraw/zinc/55/38/58/425553858.db2.gz JALSLBYAWNKONG-YVLHZVERSA-N -1 0 318.354 2.826 50 30 DFEARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)cc1 ZINC000013187391 425749602 /nfs/dbraw/zinc/74/96/02/425749602.db2.gz BICGTLYMDRDAAT-INIZCTEOSA-N -1 0 324.336 2.513 50 30 DFEARM N#Cc1ccc(Oc2ccc(NC(=O)/C=C\C(=O)[O-])cc2)cc1 ZINC000030826582 425833070 /nfs/dbraw/zinc/83/30/70/425833070.db2.gz GRBJDJVRFCFGOC-KTKRTIGZSA-N -1 0 308.293 2.930 50 30 DFEARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000048621090 425876436 /nfs/dbraw/zinc/87/64/36/425876436.db2.gz FKXQUJCJTFRULU-MRVPVSSYSA-N -1 0 300.336 2.595 50 30 DFEARM O=C(CCc1ccsc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000071892482 425999469 /nfs/dbraw/zinc/99/94/69/425999469.db2.gz GKESQBJSRORSCY-GFCCVEGCSA-N -1 0 317.432 2.536 50 30 DFEARM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000103259628 425940016 /nfs/dbraw/zinc/94/00/16/425940016.db2.gz WIIFNMOHBHYPHC-JTQLQIEISA-N -1 0 311.168 2.938 50 30 DFEARM COc1ccc(/C=C\C(=O)c2c([O-])cc(C)oc2=O)c(OC)c1 ZINC000103623316 425953861 /nfs/dbraw/zinc/95/38/61/425953861.db2.gz VHGRKJFEYYBBLR-ALCCZGGFSA-N -1 0 316.309 2.567 50 30 DFEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(C)C)cc2)C(=O)O1 ZINC000104300768 425963088 /nfs/dbraw/zinc/96/30/88/425963088.db2.gz IQCGZCHTXXVORT-SKHCZCESSA-N -1 0 314.337 2.702 50 30 DFEARM O=C([N-]S(=O)(=O)c1cccs1)c1cncc2ccccc21 ZINC000097084180 426447242 /nfs/dbraw/zinc/44/72/42/426447242.db2.gz SVJSKSTVUGSIAO-UHFFFAOYSA-N -1 0 318.379 2.990 50 30 DFEARM Cc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)CCCC#N)cc1 ZINC000097049136 426443992 /nfs/dbraw/zinc/44/39/92/426443992.db2.gz FYGPDIRUUJTLEC-ZDUSSCGKSA-N -1 0 308.403 2.764 50 30 DFEARM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2cc(F)ccc2o1 ZINC000102317544 426488420 /nfs/dbraw/zinc/48/84/20/426488420.db2.gz BMQQBMNLAZXWGI-NSHDSACASA-N -1 0 311.272 2.511 50 30 DFEARM CCCCCCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100534627 426482730 /nfs/dbraw/zinc/48/27/30/426482730.db2.gz NVMHTOOKVQECAI-UHFFFAOYSA-N -1 0 316.401 2.944 50 30 DFEARM O=C(C=NN=c1nc(-c2ccccc2)cn[n-]1)c1ccccc1 ZINC000101002594 426483355 /nfs/dbraw/zinc/48/33/55/426483355.db2.gz GNFMQGGNYIQXEF-XDHOZWIPSA-N -1 0 303.325 2.819 50 30 DFEARM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000102051068 426487715 /nfs/dbraw/zinc/48/77/15/426487715.db2.gz GIXLBXLVIQLWOK-MRXNPFEDSA-N -1 0 319.364 2.658 50 30 DFEARM Cc1ccc2[nH]c3c(nc([O-])n(N=Cc4ccccc4)c3=O)c2c1 ZINC000253531367 427214331 /nfs/dbraw/zinc/21/43/31/427214331.db2.gz CUAUBJZNRREZCR-UHFFFAOYSA-N -1 0 318.336 2.774 50 30 DFEARM Cc1cc(C)n(-c2n[n-]c(=S)n2N=Cc2ccc(F)cc2)n1 ZINC000254606068 427222691 /nfs/dbraw/zinc/22/26/91/427222691.db2.gz JDVIJJNUXNUZAS-UHFFFAOYSA-N -1 0 316.365 2.765 50 30 DFEARM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccccc2)nc1C ZINC000097098244 332192525 /nfs/dbraw/zinc/19/25/25/332192525.db2.gz NYBBUDRBCAZYAA-NSHDSACASA-N -1 0 321.402 2.660 50 30 DFEARM CC(C)[C@H](C)CC(=O)[N-]S(=O)(=O)c1nc2ccccc2[nH]1 ZINC000065535466 519810594 /nfs/dbraw/zinc/81/05/94/519810594.db2.gz VAIIIGNBEDASGC-SNVBAGLBSA-N -1 0 309.391 2.890 50 30 DFEARM O=C(COc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594901 527194906 /nfs/dbraw/zinc/19/49/06/527194906.db2.gz FFJMNFRSFSPIMH-UHFFFAOYSA-N -1 0 305.355 2.552 50 30 DFEARM Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(C)o1 ZINC000095463581 185371248 /nfs/dbraw/zinc/37/12/48/185371248.db2.gz RWZCSFBKKHDZRS-UHFFFAOYSA-N -1 0 319.386 2.635 50 30 DFEARM N#Cc1c(N)nc(-c2ccc(C(=O)[O-])cc2)cc1-c1cccnc1 ZINC000071752842 191023303 /nfs/dbraw/zinc/02/33/03/191023303.db2.gz XKTOMKITLKRDGH-UHFFFAOYSA-N -1 0 316.320 2.963 50 30 DFEARM COc1ccc(C=NNc2ccc(O)cc2)c(C(=O)[O-])c1OC ZINC000004807127 181153936 /nfs/dbraw/zinc/15/39/36/181153936.db2.gz AXFQOMBBNVDHMQ-RQZCQDPDSA-N -1 0 316.313 2.554 50 30 DFEARM Cc1onc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1[N+](=O)[O-] ZINC000006736784 181379904 /nfs/dbraw/zinc/37/99/04/181379904.db2.gz AOGJCTMSXHPNQN-UHFFFAOYSA-N -1 0 318.314 2.565 50 30 DFEARM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)N2CCCCC2)C1(C)C ZINC000064619976 184301699 /nfs/dbraw/zinc/30/16/99/184301699.db2.gz WRXMTLKNSHEAPY-CHWSQXEVSA-N -1 0 314.451 2.912 50 30 DFEARM CC(C)NC(=O)C(C#N)=C([O-])c1cnc(-c2ccsc2)s1 ZINC000102758168 256573318 /nfs/dbraw/zinc/57/33/18/256573318.db2.gz PKZSCJUYTNMWPZ-JTQLQIEISA-N -1 0 319.411 2.719 50 30 DFEARM Cc1ccc2c(c1)C(=N[O-])C(=O)[N+]2CCOc1ccccc1C ZINC000343516984 257262017 /nfs/dbraw/zinc/26/20/17/257262017.db2.gz UUKWGXRMTRQIBJ-UHFFFAOYSA-N -1 0 310.353 2.873 50 30 DFEARM CC(C)c1c(-c2cnn(C(C)(C)C)c2)nc2c(C#N)c[n-]n2c1=O ZINC000642814879 543504315 /nfs/dbraw/zinc/50/43/15/543504315.db2.gz KRXWJZIHQRIGSJ-UHFFFAOYSA-N -1 0 324.388 2.636 50 30 DFEARM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1CC=CCC1 ZINC000054488415 425890512 /nfs/dbraw/zinc/89/05/12/425890512.db2.gz CKVIXXUHHVVIIJ-NSHDSACASA-N -1 0 324.358 2.905 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000102389146 425919595 /nfs/dbraw/zinc/91/95/95/425919595.db2.gz IHZZKCQZFOIHBH-ZDUSSCGKSA-N -1 0 310.378 2.582 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1cc(Br)ccc1C ZINC000102708153 425925645 /nfs/dbraw/zinc/92/56/45/425925645.db2.gz NUCNKTMCCKGJDP-LBPRGKRZSA-N -1 0 323.190 2.606 50 30 DFEARM COC1=C(Nc2cccc(C(=O)[O-])c2)C(=O)c2ccccc2C1=O ZINC000000098851 425535686 /nfs/dbraw/zinc/53/56/86/425535686.db2.gz SLZKEUNKOUYZLE-UHFFFAOYSA-N -1 0 323.304 2.734 50 30 DFEARM C=CCn1c(=O)c(C(=O)Nc2ccncc2)c([O-])c2ccccc21 ZINC000000354123 425556147 /nfs/dbraw/zinc/55/61/47/425556147.db2.gz MSNKYWUMVXUQKF-UHFFFAOYSA-N -1 0 321.336 2.540 50 30 DFEARM Cc1cccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1O ZINC000003147999 425610476 /nfs/dbraw/zinc/61/04/76/425610476.db2.gz GIZXNAQGPNDVHX-VIZOYTHASA-N -1 0 317.257 2.973 50 30 DFEARM CC(C)c1ccc(-c2nc(N3CCOCC3)[n-]c(=O)c2C#N)cc1 ZINC000008584502 425671352 /nfs/dbraw/zinc/67/13/52/425671352.db2.gz DZSMHZZYCBEGAC-UHFFFAOYSA-N -1 0 324.384 2.681 50 30 DFEARM Cc1ccc(S(=O)([O-])=NC(=O)N(C)c2ccccc2)cc1 ZINC000003257537 425613548 /nfs/dbraw/zinc/61/35/48/425613548.db2.gz UVUWKEIQPCVOKH-UHFFFAOYSA-N -1 0 304.371 2.734 50 30 DFEARM CCOc1ccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000013125095 425747965 /nfs/dbraw/zinc/74/79/65/425747965.db2.gz BPGBEZQNOZOWKN-RMKNXTFCSA-N -1 0 300.310 2.949 50 30 DFEARM O=[N+]([O-])c1cccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000033836901 425842299 /nfs/dbraw/zinc/84/22/99/425842299.db2.gz ZHBQVXIRXRYBGR-RIYZIHGNSA-N -1 0 302.246 2.655 50 30 DFEARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048423972 425875493 /nfs/dbraw/zinc/87/54/93/425875493.db2.gz RHBAKFKLNNQIQX-SSDOTTSWSA-N -1 0 320.754 2.940 50 30 DFEARM Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000071803803 425990244 /nfs/dbraw/zinc/99/02/44/425990244.db2.gz SPJLLSGVUYAAGN-UHFFFAOYSA-N -1 0 316.791 2.798 50 30 DFEARM CC(C)c1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C#N ZINC000075252962 426068756 /nfs/dbraw/zinc/06/87/56/426068756.db2.gz OGGYNSFUYXALTH-UHFFFAOYSA-N -1 0 324.793 2.859 50 30 DFEARM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000170600124 426138928 /nfs/dbraw/zinc/13/89/28/426138928.db2.gz ZTJKXDVAZZHODT-UHFFFAOYSA-N -1 0 309.350 2.907 50 30 DFEARM Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000119057497 426258635 /nfs/dbraw/zinc/25/86/35/426258635.db2.gz RFIIWUPDNRWCMJ-GBJTYRQASA-N -1 0 313.401 2.918 50 30 DFEARM Cc1c(C([O-])=C(C#N)c2ccc(F)cn2)cnn1-c1ccccn1 ZINC000089545034 426296417 /nfs/dbraw/zinc/29/64/17/426296417.db2.gz FLZAKQSLJUKQNT-ZDUSSCGKSA-N -1 0 321.315 2.600 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)c1cc(Br)ccc1F ZINC000096416214 426418690 /nfs/dbraw/zinc/41/86/90/426418690.db2.gz SCIBLJFOCGHKCB-UHFFFAOYSA-N -1 0 324.171 2.633 50 30 DFEARM CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000096442350 426426975 /nfs/dbraw/zinc/42/69/75/426426975.db2.gz CMVVBCHPDHLEJO-GXSJLCMTSA-N -1 0 303.330 2.765 50 30 DFEARM CC(C)CCS(=O)(=O)[N-]C(=O)c1cccc2ncccc21 ZINC000096493297 426435381 /nfs/dbraw/zinc/43/53/81/426435381.db2.gz DTKWUPLYRHJJLQ-UHFFFAOYSA-N -1 0 306.387 2.915 50 30 DFEARM O=C([N-]S(=O)(=O)C1CCCC1)c1cncc2ccccc21 ZINC000096501691 426437854 /nfs/dbraw/zinc/43/78/54/426437854.db2.gz YBKZZNGVMYEQRO-UHFFFAOYSA-N -1 0 304.371 2.812 50 30 DFEARM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000097371509 426463778 /nfs/dbraw/zinc/46/37/78/426463778.db2.gz KBEUKMRIGGXMMQ-UHFFFAOYSA-N -1 0 318.329 2.701 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000100700570 426483128 /nfs/dbraw/zinc/48/31/28/426483128.db2.gz IPERKEWLXOJVMH-GFCCVEGCSA-N -1 0 316.357 2.931 50 30 DFEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1c[nH]c2ccccc12 ZINC000252476940 427175999 /nfs/dbraw/zinc/17/59/99/427175999.db2.gz FESULKVNFWYVIU-UHFFFAOYSA-N -1 0 311.292 2.949 50 30 DFEARM CCCCOc1ccccc1C=NNc1nnc(C)c(=O)[n-]1 ZINC000253532058 427215214 /nfs/dbraw/zinc/21/52/14/427215214.db2.gz TXUVZCSSZKYMDG-UHFFFAOYSA-N -1 0 301.350 2.511 50 30 DFEARM CN(C)N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000254494838 427221930 /nfs/dbraw/zinc/22/19/30/427221930.db2.gz PCHOKLAOZYDDGW-UHFFFAOYSA-N -1 0 322.000 2.813 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000005725596 303178775 /nfs/dbraw/zinc/17/87/75/303178775.db2.gz NJMKBXYBPXZXPL-GHMZBOCLSA-N -1 0 318.398 2.938 50 30 DFEARM O=C(Cc1ccccc1F)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594947 527196015 /nfs/dbraw/zinc/19/60/15/527196015.db2.gz IVKWEQLWKLWCET-UHFFFAOYSA-N -1 0 307.346 2.855 50 30 DFEARM CC(C)(C)CS(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F ZINC000088813880 185266385 /nfs/dbraw/zinc/26/63/85/185266385.db2.gz NKPZQCLEGOQXAT-UHFFFAOYSA-N -1 0 305.346 2.840 50 30 DFEARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccc(F)cc1F ZINC000095404939 185355367 /nfs/dbraw/zinc/35/53/67/185355367.db2.gz OVGUPUWFFLXVPA-VIFPVBQESA-N -1 0 320.361 2.611 50 30 DFEARM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)nc1 ZINC000072303849 191116476 /nfs/dbraw/zinc/11/64/76/191116476.db2.gz TWVPHPAKDGKZQN-UHFFFAOYSA-N -1 0 309.350 2.907 50 30 DFEARM CCCCc1nc(OCC(=O)[O-])c(C#N)c2c1COC(C)(C)C2 ZINC000096114726 282981155 /nfs/dbraw/zinc/98/11/55/282981155.db2.gz MZJIFPCJSLMSTL-UHFFFAOYSA-N -1 0 318.373 2.611 50 30 DFEARM C=C(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)[O-] ZINC000002932532 180970830 /nfs/dbraw/zinc/97/08/30/180970830.db2.gz AKTVCTYCTDREFF-UHFFFAOYSA-N -1 0 303.387 2.622 50 30 DFEARM N#Cc1ccccc1Nc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000004225030 181086045 /nfs/dbraw/zinc/08/60/45/181086045.db2.gz BFSKWVXODRRADC-UHFFFAOYSA-N -1 0 303.325 2.783 50 30 DFEARM C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)[O-])c(C)c12 ZINC000004387901 181105716 /nfs/dbraw/zinc/10/57/16/181105716.db2.gz SRBOONZYUSJNMZ-UHFFFAOYSA-N -1 0 302.326 2.992 50 30 DFEARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000016130415 182035021 /nfs/dbraw/zinc/03/50/21/182035021.db2.gz OKWDKFQZBREOEI-UHFFFAOYSA-N -1 0 302.355 2.676 50 30 DFEARM N#Cc1ccc(Oc2ccccc2NC(=O)/C=C/C(=O)[O-])cc1 ZINC000020508012 182225698 /nfs/dbraw/zinc/22/56/98/182225698.db2.gz XDCVWTKSORGPAD-MDZDMXLPSA-N -1 0 308.293 2.930 50 30 DFEARM Cc1cccc2c1N(CCCOc1ccccc1)C(=O)/C2=N\[O-] ZINC000039853990 183022121 /nfs/dbraw/zinc/02/21/21/183022121.db2.gz KTTAPVFKAQKXNZ-MNDPQUGUSA-N -1 0 310.353 2.989 50 30 DFEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(C(F)(F)F)cc1 ZINC000040116183 183037228 /nfs/dbraw/zinc/03/72/28/183037228.db2.gz MTLOEUWXYJAFKF-UHFFFAOYSA-N -1 0 324.324 2.698 50 30 DFEARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000065362149 184328447 /nfs/dbraw/zinc/32/84/47/184328447.db2.gz PDOWEVZFNLONHN-UHFFFAOYSA-N -1 0 320.345 2.701 50 30 DFEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC000066241907 184398433 /nfs/dbraw/zinc/39/84/33/184398433.db2.gz MCCKTXNXZHSSBI-UHFFFAOYSA-N -1 0 316.386 2.671 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1cccc(Br)c1C ZINC000102708164 256573149 /nfs/dbraw/zinc/57/31/49/256573149.db2.gz OWOGPICNZQZAOJ-NSHDSACASA-N -1 0 323.190 2.606 50 30 DFEARM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000066813940 425906707 /nfs/dbraw/zinc/90/67/07/425906707.db2.gz RNCOCWUPKMEQRU-SNVBAGLBSA-N -1 0 322.415 2.605 50 30 DFEARM CNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000102389151 425920190 /nfs/dbraw/zinc/92/01/90/425920190.db2.gz IHZZKCQZFOIHBH-CYBMUJFWSA-N -1 0 310.378 2.582 50 30 DFEARM C=CCN1C(=O)/C(=C/c2ccccc2C(=O)[O-])SC1=S ZINC000002025974 425588724 /nfs/dbraw/zinc/58/87/24/425588724.db2.gz JJVLYLWJPLEWPM-FLIBITNWSA-N -1 0 305.380 2.772 50 30 DFEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1 ZINC000007409140 425644045 /nfs/dbraw/zinc/64/40/45/425644045.db2.gz HIYSEJYNEKJUIW-UHFFFAOYSA-N -1 0 324.308 2.960 50 30 DFEARM Cc1nnc(NN=Cc2cccc(Oc3ccccc3)c2)[n-]c1=O ZINC000008871653 425677167 /nfs/dbraw/zinc/67/71/67/425677167.db2.gz KUNYHZDDYQXVCQ-WOJGMQOQSA-N -1 0 321.340 2.712 50 30 DFEARM CCCCC(=O)Nc1ccc(N(C)CCC#N)c(C(=O)[O-])c1 ZINC000046053427 425864115 /nfs/dbraw/zinc/86/41/15/425864115.db2.gz ZHUIYPOCOFHXAM-UHFFFAOYSA-N -1 0 303.362 2.863 50 30 DFEARM N#Cc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000033869463 425842230 /nfs/dbraw/zinc/84/22/30/425842230.db2.gz JZJGIGPIYJYNKV-UHFFFAOYSA-N -1 0 309.350 2.907 50 30 DFEARM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048519858 425875989 /nfs/dbraw/zinc/87/59/89/425875989.db2.gz HUQUEGRIEYJUHO-UHFFFAOYSA-N -1 0 313.404 2.773 50 30 DFEARM O=C([O-])c1ccccc1CC(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000071288444 425984466 /nfs/dbraw/zinc/98/44/66/425984466.db2.gz OZMWQERGLWCERU-UHFFFAOYSA-N -1 0 312.285 2.594 50 30 DFEARM CC(C)(C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccc(F)cc1 ZINC000078410951 426169264 /nfs/dbraw/zinc/16/92/64/426169264.db2.gz FMJJYPJHKQSFOJ-UHFFFAOYSA-N -1 0 322.361 2.844 50 30 DFEARM CCCCN(CCCC)S(=O)(=O)[N-]C(=O)C1CCOCC1 ZINC000078556637 426175037 /nfs/dbraw/zinc/17/50/37/426175037.db2.gz XKVABXNRBOCPAQ-UHFFFAOYSA-N -1 0 320.455 2.517 50 30 DFEARM CC[C@H](C(C)C)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)n(C)n1 ZINC000095406069 426372470 /nfs/dbraw/zinc/37/24/70/426372470.db2.gz QUEAOIAFQLIYPJ-CYBMUJFWSA-N -1 0 315.439 2.613 50 30 DFEARM Cc1cccc(CS(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)c1 ZINC000095941027 426375097 /nfs/dbraw/zinc/37/50/97/426375097.db2.gz VIOCUGQLORKOIH-UHFFFAOYSA-N -1 0 318.402 2.586 50 30 DFEARM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2cc(F)ccc2o1 ZINC000102317545 426488594 /nfs/dbraw/zinc/48/85/94/426488594.db2.gz BMQQBMNLAZXWGI-LLVKDONJSA-N -1 0 311.272 2.511 50 30 DFEARM CC(C(=O)c1ccc(F)cc1)=[N+]([O-])C/C(=N\[O-])c1ccccc1 ZINC000101271756 426484042 /nfs/dbraw/zinc/48/40/42/426484042.db2.gz WTXDLQPAZMRHLT-XAVITJERSA-N -1 0 314.316 2.858 50 30 DFEARM CCCNC(=O)C(C#N)=C([O-])c1cc2ccc(C)cc2nc1C ZINC000102017655 426487563 /nfs/dbraw/zinc/48/75/63/426487563.db2.gz KSORVRLCFLTWMO-HNNXBMFYSA-N -1 0 309.369 2.700 50 30 DFEARM CN(C)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000245253819 426732420 /nfs/dbraw/zinc/73/24/20/426732420.db2.gz GPJCOCLHHWONRW-UHFFFAOYSA-N -1 0 315.324 2.534 50 30 DFEARM COc1ccccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000252622112 427191625 /nfs/dbraw/zinc/19/16/25/427191625.db2.gz NPBGITPJCTZHEM-UHFFFAOYSA-N -1 0 318.340 2.961 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000005725586 303178809 /nfs/dbraw/zinc/17/88/09/303178809.db2.gz NJMKBXYBPXZXPL-MNOVXSKESA-N -1 0 318.398 2.938 50 30 DFEARM N#Cc1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000005725683 303178853 /nfs/dbraw/zinc/17/88/53/303178853.db2.gz ZZXXMONTRRJGDO-QWRGUYRKSA-N -1 0 316.382 2.714 50 30 DFEARM N#CCc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000299751833 331713736 /nfs/dbraw/zinc/71/37/36/331713736.db2.gz RYCQRTHFVBDCLV-KBMXLJTQSA-N -1 0 312.369 2.611 50 30 DFEARM