smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCC1(CCC(=O)N2CC3(CCC3)[C@](F)(C(=O)[O-])C2)N=N1 ZINC000952876394 792792255 /nfs/dbraw/zinc/79/22/55/792792255.db2.gz PFFOTHNTTNXVMG-MRXNPFEDSA-N -1 0 321.352 2.148 50 30 DEEARM C#CCCC1(CCC(=O)N2CCC(CCC(=O)[O-])CC2)N=N1 ZINC000952878977 792792962 /nfs/dbraw/zinc/79/29/62/792792962.db2.gz LAMDKGBNKXOTHJ-UHFFFAOYSA-N -1 0 305.378 2.446 50 30 DEEARM Cc1nc(N(C)CC[C@@H]2CCCCO2)c(C#N)cc1C(=O)[O-] ZINC001529120171 1070868509 /nfs/dbraw/zinc/86/85/09/1070868509.db2.gz VTOAUNVRMRUNHI-ZDUSSCGKSA-N -1 0 303.362 2.355 50 30 DEEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000004439776 181110074 /nfs/dbraw/zinc/11/00/74/181110074.db2.gz RPRHQQXCYDTQAS-UHFFFAOYSA-N -1 0 322.411 2.465 50 30 DEEARM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccncc2)cc1F ZINC000079109692 355296925 /nfs/dbraw/zinc/29/69/25/355296925.db2.gz HCKAERHRKKWEOS-UHFFFAOYSA-N -1 0 312.297 2.362 50 30 DEEARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000078949043 355287430 /nfs/dbraw/zinc/28/74/30/355287430.db2.gz INPTZDQSWQZOPA-ONGXEEELSA-N -1 0 323.349 2.313 50 30 DEEARM Cc1nc(C(=O)[N-]S(=O)(=O)N2CCc3ccccc32)cs1 ZINC000078556627 191885266 /nfs/dbraw/zinc/88/52/66/191885266.db2.gz WRARFWVJVODYAE-UHFFFAOYSA-N -1 0 323.399 2.064 50 30 DEEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccccc1Cl ZINC000008564750 181564593 /nfs/dbraw/zinc/56/45/93/181564593.db2.gz VZMOBAQPVTUPCY-ZDUSSCGKSA-N -1 0 323.732 2.099 50 30 DEEARM O=C([O-])c1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000004482245 304232556 /nfs/dbraw/zinc/23/25/56/304232556.db2.gz VZGFYSYOLBQESN-UHFFFAOYSA-N -1 0 311.253 2.366 50 30 DEEARM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004998632 401728070 /nfs/dbraw/zinc/72/80/70/401728070.db2.gz KGOAPNAHHJUQHB-UHFFFAOYSA-N -1 0 322.411 2.465 50 30 DEEARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000002575665 401715289 /nfs/dbraw/zinc/71/52/89/401715289.db2.gz UXSGGQWSQPYJTQ-ZDUSSCGKSA-N -1 0 304.346 2.469 50 30 DEEARM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(C(=O)NC)cc1 ZINC000048555507 402001967 /nfs/dbraw/zinc/00/19/67/402001967.db2.gz HTVRWUJDMGHMJR-YFHOEESVSA-N -1 0 324.402 2.146 50 30 DEEARM C=C(C)COc1ccccc1C(=O)NN1CCC[C@H](C(=O)[O-])C1 ZINC000055245564 402078380 /nfs/dbraw/zinc/07/83/80/402078380.db2.gz NAOAOUWTVXCYNE-ZDUSSCGKSA-N -1 0 318.373 2.083 50 30 DEEARM CCC(=O)C1=C(N[C@H](C)C(=O)[O-])C[C@@H](c2ccccc2)CC1=O ZINC000100951976 402143318 /nfs/dbraw/zinc/14/33/18/402143318.db2.gz FDPQVGKSANZLHZ-DGCLKSJQSA-N -1 0 315.369 2.429 50 30 DEEARM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(C#N)CCOCC2)cc1 ZINC000124815970 402198600 /nfs/dbraw/zinc/19/86/00/402198600.db2.gz ZFLHLZULYZMEHH-UHFFFAOYSA-N -1 0 316.357 2.308 50 30 DEEARM CCc1ccc(C(C)=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000252632865 402659762 /nfs/dbraw/zinc/65/97/62/402659762.db2.gz VXRHZRFQPWQDJW-LBPRGKRZSA-N -1 0 319.386 2.035 50 30 DEEARM C=CCN(CC=C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102903485 424848109 /nfs/dbraw/zinc/84/81/09/424848109.db2.gz UXLGGJQYVHITMF-UHFFFAOYSA-N -1 0 315.398 2.036 50 30 DEEARM CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000110516917 424851511 /nfs/dbraw/zinc/85/15/11/424851511.db2.gz AZTGECICMILNBR-HWYHOQROSA-N -1 0 300.310 2.314 50 30 DEEARM O=c1oc2ccccc2c([O-])c1C=Nc1ccc([N+](=O)[O-])cn1 ZINC000102986854 635959736 /nfs/dbraw/zinc/95/97/36/635959736.db2.gz ZCGLMZJFRATFPE-DHZHZOJOSA-N -1 0 311.253 2.088 50 30 DEEARM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2=COCCC2)cc1 ZINC000076759574 539362374 /nfs/dbraw/zinc/36/23/74/539362374.db2.gz IIFXAVVCLNBKRG-UHFFFAOYSA-N -1 0 306.343 2.039 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(C)cc2C)s1 ZINC000103718661 529893535 /nfs/dbraw/zinc/89/35/35/529893535.db2.gz FYEKSJSRODUJHR-LBPRGKRZSA-N -1 0 313.382 2.495 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)c1cccc(Br)c1 ZINC000078868923 355281954 /nfs/dbraw/zinc/28/19/54/355281954.db2.gz PPOOXOZOQHRMRI-UHFFFAOYSA-N -1 0 306.181 2.494 50 30 DEEARM CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000063346550 184280600 /nfs/dbraw/zinc/28/06/00/184280600.db2.gz KTKURSIVHLRDPV-UHFFFAOYSA-N -1 0 316.338 2.082 50 30 DEEARM CN(c1cccc(C#N)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000063346544 184280694 /nfs/dbraw/zinc/28/06/94/184280694.db2.gz YDHSDNQNSZUFMG-UHFFFAOYSA-N -1 0 316.338 2.082 50 30 DEEARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000007056463 401736493 /nfs/dbraw/zinc/73/64/93/401736493.db2.gz RQQZJEQIRQXINU-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM COc1cc(C(=O)/C=C/c2cccnc2)ccc1OCC(=O)[O-] ZINC000007621566 401742000 /nfs/dbraw/zinc/74/20/00/401742000.db2.gz RZKGIQLLQMPBSH-GQCTYLIASA-N -1 0 313.309 2.450 50 30 DEEARM O=C([N-]S(=O)(=O)N1CCc2sccc2C1)C1CCC1 ZINC000078556622 401856087 /nfs/dbraw/zinc/85/60/87/401856087.db2.gz YFWWMOMRBKKVET-UHFFFAOYSA-N -1 0 300.405 2.108 50 30 DEEARM N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042322541 401932587 /nfs/dbraw/zinc/93/25/87/401932587.db2.gz FXEZMWVDJSMBOI-BQYQJAHWSA-N -1 0 313.338 2.312 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2C#N)c(Cl)cc1F ZINC000091052367 401991344 /nfs/dbraw/zinc/99/13/44/401991344.db2.gz PVZFREXPICHHPL-UHFFFAOYSA-N -1 0 314.729 2.183 50 30 DEEARM N#Cc1ccc(F)c(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000097112837 402108840 /nfs/dbraw/zinc/10/88/40/402108840.db2.gz NLKBHIYABHXDSD-UHFFFAOYSA-N -1 0 315.260 2.241 50 30 DEEARM O=C(c1ccccc1)C1=C([O-])c2ccccc2S(=O)(=O)N1 ZINC000100806332 402142465 /nfs/dbraw/zinc/14/24/65/402142465.db2.gz ZMZZZTDKYPNUNC-UHFFFAOYSA-N -1 0 301.323 2.088 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000102766087 402171626 /nfs/dbraw/zinc/17/16/26/402171626.db2.gz RPICFPGAHQSCQS-MRXNPFEDSA-N -1 0 319.320 2.419 50 30 DEEARM CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000105508289 402208304 /nfs/dbraw/zinc/20/83/04/402208304.db2.gz AZTGECICMILNBR-YXMGTMDOSA-N -1 0 300.310 2.314 50 30 DEEARM CC1=C(C#N)C(=O)N(C)C(=O)C1=NNc1ccccc1C(=O)[O-] ZINC000252635217 402659684 /nfs/dbraw/zinc/65/96/84/402659684.db2.gz WVKDUVWZIIGGLU-UHFFFAOYSA-N -1 0 312.285 2.385 50 30 DEEARM Cc1nc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1C#N ZINC000299741906 229377904 /nfs/dbraw/zinc/37/79/04/229377904.db2.gz HRKDIRBCESVHCV-CYBMUJFWSA-N -1 0 301.346 2.121 50 30 DEEARM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532148 424833716 /nfs/dbraw/zinc/83/37/16/424833716.db2.gz QJXBTAPCWDGGQW-UHFFFAOYSA-N -1 0 309.347 2.195 50 30 DEEARM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135843 424836043 /nfs/dbraw/zinc/83/60/43/424836043.db2.gz ZMNUDEJGDYBHEB-MUWHJKNJSA-N -1 0 319.180 2.145 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cc2cc(C(F)(F)F)ccc2n1C ZINC000101372591 424846648 /nfs/dbraw/zinc/84/66/48/424846648.db2.gz CKXMVPFOSFVKCJ-SNVBAGLBSA-N -1 0 323.274 2.266 50 30 DEEARM COCCCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1C ZINC000103502820 424848366 /nfs/dbraw/zinc/84/83/66/424848366.db2.gz YOYMPFLXPJPJRH-ZDUSSCGKSA-N -1 0 314.341 2.216 50 30 DEEARM COCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000103502845 424848685 /nfs/dbraw/zinc/84/86/85/424848685.db2.gz PLGJAVLZUAISPY-GFCCVEGCSA-N -1 0 316.382 2.376 50 30 DEEARM O=C([N-]S(=O)(=O)CC1CC1)c1cnc(-c2ccccc2)nc1 ZINC000073539359 424843025 /nfs/dbraw/zinc/84/30/25/424843025.db2.gz KPFVSNVICZAKAQ-UHFFFAOYSA-N -1 0 317.370 2.188 50 30 DEEARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061721747 281471797 /nfs/dbraw/zinc/47/17/97/281471797.db2.gz ZCSQDGAYQDGGTR-QWRGUYRKSA-N -1 0 304.371 2.404 50 30 DEEARM COc1ccc(OC)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C)c1 ZINC000079037040 524797654 /nfs/dbraw/zinc/79/76/54/524797654.db2.gz WLNMLDVEPAYHQV-UHFFFAOYSA-N -1 0 315.391 2.384 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)COC2CCCC2)cc1 ZINC000048584796 524995799 /nfs/dbraw/zinc/99/57/99/524995799.db2.gz RNCAAOPJSKPSGX-UHFFFAOYSA-N -1 0 313.375 2.300 50 30 DEEARM O=C(C=C([O-])c1ccccc1)C[C@]1(O)C(=O)Nc2ccccc21 ZINC000015082443 527592724 /nfs/dbraw/zinc/59/27/24/527592724.db2.gz MHAAUNPAGNNOIK-CFINBHSISA-N -1 0 309.321 2.385 50 30 DEEARM COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)ccc1O ZINC000002808635 401719160 /nfs/dbraw/zinc/71/91/60/401719160.db2.gz RAWULKKBDDXCMJ-PJQLUOCWSA-N -1 0 318.280 2.182 50 30 DEEARM N#Cc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224365 401798057 /nfs/dbraw/zinc/79/80/57/401798057.db2.gz MXRXGVAUXDAYPM-INIZCTEOSA-N -1 0 324.336 2.269 50 30 DEEARM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCC2 ZINC000096482957 402093743 /nfs/dbraw/zinc/09/37/43/402093743.db2.gz XXGQDOXCSXOQGN-UHFFFAOYSA-N -1 0 302.421 2.128 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc3c[nH]nc32)c(C)o1 ZINC000097035230 402100798 /nfs/dbraw/zinc/10/07/98/402100798.db2.gz XADGNIZEKRKYOU-UHFFFAOYSA-N -1 0 319.342 2.466 50 30 DEEARM C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263372097 402763551 /nfs/dbraw/zinc/76/35/51/402763551.db2.gz YSWGTKCMMOVMRT-UHFFFAOYSA-N -1 0 302.252 2.279 50 30 DEEARM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000048535728 424833456 /nfs/dbraw/zinc/83/34/56/424833456.db2.gz SQPNJVCTWPTQBC-MWLCHTKSSA-N -1 0 311.359 2.149 50 30 DEEARM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C#N ZINC000095466273 185371720 /nfs/dbraw/zinc/37/17/20/185371720.db2.gz RTZVPNVILNCUTD-UHFFFAOYSA-N -1 0 314.729 2.183 50 30 DEEARM O=C([N-]S(=O)(=O)c1c[nH]cn1)C1(c2ccc(F)cc2)CCC1 ZINC000079101491 355296182 /nfs/dbraw/zinc/29/61/82/355296182.db2.gz ZFXVLSYVSKOZJM-UHFFFAOYSA-N -1 0 323.349 2.316 50 30 DEEARM C=CCn1cc(C(=O)c2cc(Cl)ccc2[O-])cc(C#N)c1=O ZINC000005860873 181290546 /nfs/dbraw/zinc/29/05/46/181290546.db2.gz CEMJUXONRZOHBU-UHFFFAOYSA-N -1 0 314.728 2.496 50 30 DEEARM Cn1nccc1S(=O)(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000585136890 357336945 /nfs/dbraw/zinc/33/69/45/357336945.db2.gz XWVVPGXGRRQYPW-UHFFFAOYSA-N -1 0 324.431 2.452 50 30 DEEARM C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000025757129 182421845 /nfs/dbraw/zinc/42/18/45/182421845.db2.gz ORNHIMNQKQIQOO-XYOKQWHBSA-N -1 0 319.338 2.372 50 30 DEEARM CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000059141402 184135373 /nfs/dbraw/zinc/13/53/73/184135373.db2.gz SJLOYYWSVCVBSS-UHFFFAOYSA-N -1 0 322.367 2.143 50 30 DEEARM Cc1nsc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1C#N ZINC000263020915 145319132 /nfs/dbraw/zinc/31/91/32/145319132.db2.gz JDVARNOAXOKGRR-UHFFFAOYSA-N -1 0 308.363 2.088 50 30 DEEARM N#Cc1cc(C(=O)c2ccccc2[O-])cn(-c2nccs2)c1=O ZINC000003262628 401723477 /nfs/dbraw/zinc/72/34/77/401723477.db2.gz ZFTRCKXDSNNHLN-UHFFFAOYSA-N -1 0 323.333 2.102 50 30 aggregator DEEARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000000172732 401689184 /nfs/dbraw/zinc/68/91/84/401689184.db2.gz NTCWPYRCHXGUQW-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2cccnc2)c1 ZINC000000234227 401691737 /nfs/dbraw/zinc/69/17/37/401691737.db2.gz YUMZFSFRHQDXAG-CXUHLZMHSA-N -1 0 300.343 2.100 50 30 DEEARM Cc1ccc(S(=O)([O-])=NC(=O)NCc2ccccc2)cc1 ZINC000000286935 401693505 /nfs/dbraw/zinc/69/35/05/401693505.db2.gz TYCNEYCZTJHLJI-UHFFFAOYSA-N -1 0 304.371 2.388 50 30 DEEARM CCCc1c(C(=O)[N-]S(C)(=O)=O)cnn1-c1ccccc1 ZINC000097107089 402107617 /nfs/dbraw/zinc/10/76/17/402107617.db2.gz MISLSIZDXLOKIQ-UHFFFAOYSA-N -1 0 307.375 2.089 50 30 DEEARM CC(C)(C)C(CN1c2ccccc2C2(OCCO2)C1=O)=NO ZINC000252622305 402659514 /nfs/dbraw/zinc/65/95/14/402659514.db2.gz NSBWXEUGMCFVSK-UHFFFAOYSA-N -1 0 304.346 2.109 50 30 DEEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)cc1 ZINC000048452730 424833691 /nfs/dbraw/zinc/83/36/91/424833691.db2.gz COYHXUCMCSEBJW-GFCCVEGCSA-N -1 0 313.375 2.300 50 30 DEEARM COc1cc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)ccc1O ZINC000003881954 181052318 /nfs/dbraw/zinc/05/23/18/181052318.db2.gz LRCLIDIMQAJTGZ-GQCTYLIASA-N -1 0 302.282 2.264 50 30 biogenic DEEARM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000078949056 355287028 /nfs/dbraw/zinc/28/70/28/355287028.db2.gz INPTZDQSWQZOPA-GXSJLCMTSA-N -1 0 323.349 2.313 50 30 DEEARM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000078949048 355287522 /nfs/dbraw/zinc/28/75/22/355287522.db2.gz INPTZDQSWQZOPA-MWLCHTKSSA-N -1 0 323.349 2.313 50 30 DEEARM N#Cc1ccccc1NC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000006493932 181345637 /nfs/dbraw/zinc/34/56/37/181345637.db2.gz PNPUNQBQVXTIBW-UHFFFAOYSA-N -1 0 305.293 2.358 50 30 DEEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000091943746 193129665 /nfs/dbraw/zinc/12/96/65/193129665.db2.gz RRQAMJZCYFPFTN-QGZVFWFLSA-N -1 0 317.341 2.298 50 30 DEEARM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1OC ZINC000016129716 182035006 /nfs/dbraw/zinc/03/50/06/182035006.db2.gz DLDXWPTYYOBIPM-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2cccc(O)c2)c1 ZINC000000234216 401691691 /nfs/dbraw/zinc/69/16/91/401691691.db2.gz JIBZAANPKCJDFH-CXUHLZMHSA-N -1 0 315.354 2.411 50 30 DEEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc2c(c1)OCO2 ZINC000001102058 401704498 /nfs/dbraw/zinc/70/44/98/401704498.db2.gz VRIZOIYQTWHPGZ-SYZQJQIISA-N -1 0 316.264 2.197 50 30 DEEARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1cccc(C#N)c1 ZINC000002385897 401713564 /nfs/dbraw/zinc/71/35/64/401713564.db2.gz CYGNMSRSGBBZOE-CYBMUJFWSA-N -1 0 304.346 2.469 50 30 DEEARM C=CCn1c2ccccc2c2nnc(SCC(=O)[O-])nc21 ZINC000002782794 401718200 /nfs/dbraw/zinc/71/82/00/401718200.db2.gz GRZMXSYAWFMTRL-UHFFFAOYSA-N -1 0 300.343 2.342 50 30 DEEARM C[C@H](Oc1cccc(C(=O)[O-])c1)C(=O)NC1(C#N)CCCCC1 ZINC000013419040 401799196 /nfs/dbraw/zinc/79/91/96/401799196.db2.gz JWRQEUWBQAWTHH-LBPRGKRZSA-N -1 0 316.357 2.495 50 30 DEEARM N#Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000013362409 401799290 /nfs/dbraw/zinc/79/92/90/401799290.db2.gz DLNMLFVYDSSDTP-UHFFFAOYSA-N -1 0 320.301 2.196 50 30 DEEARM Cc1cccc(C)c1OCC(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000042323183 401932352 /nfs/dbraw/zinc/93/23/52/401932352.db2.gz IOSUATOPQYCVTE-UHFFFAOYSA-N -1 0 320.370 2.423 50 30 DEEARM CCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000097164006 402113428 /nfs/dbraw/zinc/11/34/28/402113428.db2.gz AJDHFLKMVGSYKE-LBPRGKRZSA-N -1 0 314.382 2.345 50 30 DEEARM CC(N=Nc1cccc(F)n1)C(=N[O-])C(=O)Nc1ccccc1 ZINC000100067139 402139747 /nfs/dbraw/zinc/13/97/47/402139747.db2.gz RRYSGIDYPORIER-LNBBNAEASA-N -1 0 315.308 2.477 50 30 DEEARM N#Cc1cn(Cc2ccnc(Oc3ccccc3)c2)c(=O)[n-]c1=O ZINC000048229392 424830675 /nfs/dbraw/zinc/83/06/75/424830675.db2.gz NFJWOIVABHUVKJ-UHFFFAOYSA-N -1 0 320.308 2.056 50 30 DEEARM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000101257893 526621494 /nfs/dbraw/zinc/62/14/94/526621494.db2.gz XXKKYZBFYQODEP-INIZCTEOSA-N -1 0 321.336 2.499 50 30 DEEARM C=CCN(Cc1ccsc1)Cc1cc(=O)n2nc(C)[n-]c2n1 ZINC001529146003 1070882153 /nfs/dbraw/zinc/88/21/53/1070882153.db2.gz SXZLHTIITKMVDB-UHFFFAOYSA-N -1 0 315.402 2.388 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)cc2C)n1 ZINC000103707974 529893565 /nfs/dbraw/zinc/89/35/65/529893565.db2.gz HAHSUXPEDZJNJF-LBPRGKRZSA-N -1 0 313.382 2.495 50 30 DEEARM COc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004743950 181146278 /nfs/dbraw/zinc/14/62/78/181146278.db2.gz QJFPXIKJFHTUHK-XNTDXEJSSA-N -1 0 306.343 2.388 50 30 DEEARM Cn1cc(C(=O)[N-]S(C)(=O)=O)c(-c2ccccc2Cl)n1 ZINC000066722893 354729754 /nfs/dbraw/zinc/72/97/54/354729754.db2.gz JLGAIQFPCHXERC-UHFFFAOYSA-N -1 0 313.766 2.005 50 30 DEEARM COc1ccc(CN2c3ccccc3/C(=N/[O-])C2=O)cc1OC ZINC000006009332 181305584 /nfs/dbraw/zinc/30/55/84/181305584.db2.gz NXEZHPZSTSWMJT-VLGSPTGOSA-N -1 0 312.325 2.429 50 30 DEEARM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1 ZINC000096442698 193647288 /nfs/dbraw/zinc/64/72/88/193647288.db2.gz KMSCWLLJNVPJJL-UHFFFAOYSA-N -1 0 311.338 2.044 50 30 DEEARM COc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000008727703 181579467 /nfs/dbraw/zinc/57/94/67/181579467.db2.gz QTQXKGCTVGIFNY-UHFFFAOYSA-N -1 0 310.309 2.195 50 30 DEEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000000074854 401687815 /nfs/dbraw/zinc/68/78/15/401687815.db2.gz CPCBERZKTKCYGR-UHFFFAOYSA-N -1 0 316.338 2.130 50 30 DEEARM N#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000000186241 401689588 /nfs/dbraw/zinc/68/95/88/401689588.db2.gz XFOZQCJMXFATOH-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000000617584 401702112 /nfs/dbraw/zinc/70/21/12/401702112.db2.gz JSVWBOHBNGHECR-UHFFFAOYSA-N -1 0 306.299 2.288 50 30 DEEARM C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])NC(=O)c1ccccc1 ZINC000072311691 401709437 /nfs/dbraw/zinc/70/94/37/401709437.db2.gz XVRFTAGGARARQD-LBPRGKRZSA-N -1 0 323.352 2.411 50 30 DEEARM COc1ccc([C@](C)(C#N)[N-]C(=O)C(F)(F)F)cc1OC ZINC000095348113 402025899 /nfs/dbraw/zinc/02/58/99/402025899.db2.gz BUVNFKOAIXXHHU-LBPRGKRZSA-N -1 0 302.252 2.121 50 30 DEEARM Cc1nn(C)cc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000054806804 402072129 /nfs/dbraw/zinc/07/21/29/402072129.db2.gz CAYOGPKYSUPSJB-VMPITWQZSA-N -1 0 314.341 2.478 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)c1c(Cl)n(C)nc1C(C)C ZINC000096442336 402088202 /nfs/dbraw/zinc/08/82/02/402088202.db2.gz YTIKUGDVVKBIOD-UHFFFAOYSA-N -1 0 307.803 2.241 50 30 DEEARM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2C)cn1 ZINC000096453137 402090921 /nfs/dbraw/zinc/09/09/21/402090921.db2.gz WMUSZXJYFOVMHI-UHFFFAOYSA-N -1 0 307.375 2.213 50 30 DEEARM CCC(=O)C1=C(NCCC(=O)[O-])C[C@@H](c2ccccc2)CC1=O ZINC000100165673 402140026 /nfs/dbraw/zinc/14/00/26/402140026.db2.gz JLQXTXIQSHQMIR-CYBMUJFWSA-N -1 0 315.369 2.431 50 30 DEEARM COc1cc(OC)nc(Oc2cc(/C=N/[O-])ccc2OC)n1 ZINC000100335351 402140823 /nfs/dbraw/zinc/14/08/23/402140823.db2.gz DFIQHTUXBJRBBU-OVCLIPMQSA-N -1 0 305.290 2.103 50 30 DEEARM C[C@H](Oc1ccccc1C#N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000069893503 402249836 /nfs/dbraw/zinc/24/98/36/402249836.db2.gz RCAKGTWSUMMRPP-LBPRGKRZSA-N -1 0 316.357 2.229 50 30 DEEARM COc1ccc(-c2[n-][nH]c(=O)c2N=Nc2ccc(F)cc2)cc1 ZINC000071472869 402275022 /nfs/dbraw/zinc/27/50/22/402275022.db2.gz RAZCXDYVEFJEFZ-UHFFFAOYSA-N -1 0 312.304 2.136 50 30 DEEARM O=C1CNC(=O)N1Cc1ccc(N=Cc2ccccc2O)cc1 ZINC000254741446 402671128 /nfs/dbraw/zinc/67/11/28/402671128.db2.gz STNIBDCTUTXKCH-UHFFFAOYSA-N -1 0 309.325 2.195 50 30 DEEARM C=CCOc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1OC ZINC000263498011 402775070 /nfs/dbraw/zinc/77/50/70/402775070.db2.gz YHSWBHFDPSEAPQ-WDEREUQCSA-N -1 0 307.346 2.099 50 30 DEEARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061721746 281435919 /nfs/dbraw/zinc/43/59/19/281435919.db2.gz ZCSQDGAYQDGGTR-GHMZBOCLSA-N -1 0 304.371 2.404 50 30 DEEARM CCCCOc1ccccc1/C=N/Nc1nc(=O)c(C)n[n-]1 ZINC000008663632 520912115 /nfs/dbraw/zinc/91/21/15/520912115.db2.gz TXUVZCSSZKYMDG-MHWRWJLKSA-N -1 0 301.350 2.098 50 30 DEEARM N#Cc1ccc(CS(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC000095393827 185352205 /nfs/dbraw/zinc/35/22/05/185352205.db2.gz AZKQMWBPXXRULW-UHFFFAOYSA-N -1 0 312.354 2.376 50 30 DEEARM CCC(CC)S(=O)(=O)[N-]C(=O)c1nc(C)n2ccccc12 ZINC000095404991 185355393 /nfs/dbraw/zinc/35/53/93/185355393.db2.gz LJORQMWUKLNFDH-UHFFFAOYSA-N -1 0 309.391 2.466 50 30 DEEARM CC[C@H](C(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1)c1ccccc1 ZINC000225680904 186289002 /nfs/dbraw/zinc/28/90/02/186289002.db2.gz SVNUXFRZCPMRQG-INIZCTEOSA-N -1 0 321.380 2.325 50 30 DEEARM C=CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000024573820 182384004 /nfs/dbraw/zinc/38/40/04/182384004.db2.gz HGDPADAXSMUZLQ-IWAYRVGRSA-N -1 0 312.321 2.480 50 30 DEEARM C[C@H](Oc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1)C(=O)[O-] ZINC000096837130 224541064 /nfs/dbraw/zinc/54/10/64/224541064.db2.gz SVBNFYVODXLQMC-DZHRUPLWSA-N -1 0 300.314 2.168 50 30 DEEARM O=C1Nc2c(cc(Br)cc2Br)/C1=N/[O-] ZINC000005730957 401731130 /nfs/dbraw/zinc/73/11/30/401731130.db2.gz NBWPFELLFFGSAM-UHFFFAOYSA-N -1 0 319.940 2.342 50 30 DEEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000000074848 401687716 /nfs/dbraw/zinc/68/77/16/401687716.db2.gz FQCDEMSAPFDDKJ-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000078556454 401856249 /nfs/dbraw/zinc/85/62/49/401856249.db2.gz CLWVHRKUPJLBAP-LBPRGKRZSA-N -1 0 315.391 2.082 50 30 DEEARM N#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000034875423 401894072 /nfs/dbraw/zinc/89/40/72/401894072.db2.gz NTVXZCBYPCNESK-UHFFFAOYSA-N -1 0 302.311 2.057 50 30 DEEARM COc1ccsc1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000096404571 402078135 /nfs/dbraw/zinc/07/81/35/402078135.db2.gz ZLTCAESKEUMVEP-UHFFFAOYSA-N -1 0 316.360 2.055 50 30 DEEARM O=C([O-])C[C@@H]1CC(C(=O)c2ccccc2)=C2SCCN2C1=O ZINC000068754976 402204981 /nfs/dbraw/zinc/20/49/81/402204981.db2.gz DZLRINQZFUBGSQ-NSHDSACASA-N -1 0 317.366 2.151 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1Br ZINC000071850161 402288091 /nfs/dbraw/zinc/28/80/91/402288091.db2.gz MVGMTGTWUXINQF-BDAKNGLRSA-N -1 0 318.192 2.469 50 30 DEEARM N#CCC1(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000225754804 225208256 /nfs/dbraw/zinc/20/82/56/225208256.db2.gz WIEAGMYLZKBSGJ-UHFFFAOYSA-N -1 0 322.283 2.215 50 30 DEEARM CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000048459328 424834233 /nfs/dbraw/zinc/83/42/33/424834233.db2.gz GJSGKTDDDUOXOO-UHFFFAOYSA-N -1 0 307.318 2.427 50 30 DEEARM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000058291090 525898818 /nfs/dbraw/zinc/89/88/18/525898818.db2.gz GLYZPQQYPFPAEX-QMMMGPOBSA-N -1 0 319.329 2.425 50 30 DEEARM CC(C)S(=O)(=O)[N-]C(=O)c1cccc(Br)c1 ZINC000049417460 622564578 /nfs/dbraw/zinc/56/45/78/622564578.db2.gz FVRPANMXRAWJJR-UHFFFAOYSA-N -1 0 306.181 2.492 50 30 DEEARM COC(=O)CCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000022729045 639570764 /nfs/dbraw/zinc/57/07/64/639570764.db2.gz PGLVXNJBRDLFQG-AUWJEWJLSA-N -1 0 300.698 2.326 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CSCCS1 ZINC000095455053 185369745 /nfs/dbraw/zinc/36/97/45/185369745.db2.gz URQHKKAXTFEOPS-JTQLQIEISA-N -1 0 303.430 2.180 50 30 DEEARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000097135118 185413789 /nfs/dbraw/zinc/41/37/89/185413789.db2.gz KLVGPXHOZGXQBZ-UHFFFAOYSA-N -1 0 322.365 2.351 50 30 DEEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000000074369 401687707 /nfs/dbraw/zinc/68/77/07/401687707.db2.gz VZMOBAQPVTUPCY-CYBMUJFWSA-N -1 0 323.732 2.099 50 30 DEEARM CCn1cc(C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)cn1 ZINC000002767522 401717799 /nfs/dbraw/zinc/71/77/99/401717799.db2.gz ANFZTFWLUKXJAS-UHFFFAOYSA-N -1 0 321.196 2.352 50 30 DEEARM C=CCn1c(COc2ccccc2)nnc1SCC(=O)[O-] ZINC000100556856 402141707 /nfs/dbraw/zinc/14/17/07/402141707.db2.gz KOJLXPJHGWYWPR-UHFFFAOYSA-N -1 0 305.359 2.220 50 30 DEEARM CCC(=O)C1=C(N[C@H](C)C(=O)[O-])C[C@H](c2ccccc2)CC1=O ZINC000100951974 402143355 /nfs/dbraw/zinc/14/33/55/402143355.db2.gz FDPQVGKSANZLHZ-YPMHNXCESA-N -1 0 315.369 2.429 50 30 DEEARM CCn1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)nc1C ZINC000168378016 402496104 /nfs/dbraw/zinc/49/61/04/402496104.db2.gz KKTDIUCOVMZXRJ-UHFFFAOYSA-N -1 0 308.338 2.023 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)COC2CCCC2)cc1 ZINC000048503428 424834067 /nfs/dbraw/zinc/83/40/67/424834067.db2.gz HUNGJWHYDKVPKK-UHFFFAOYSA-N -1 0 308.359 2.163 50 30 DEEARM C=CCNC(=O)C(C#N)=C([O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000101257891 424846565 /nfs/dbraw/zinc/84/65/65/424846565.db2.gz VQYDSJGDLYXILN-VIFPVBQESA-N -1 0 314.238 2.469 50 30 DEEARM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)OCO2 ZINC000103503848 424848748 /nfs/dbraw/zinc/84/87/48/424848748.db2.gz AZGMOZLRTYBZKQ-ZDUSSCGKSA-N -1 0 314.341 2.187 50 30 DEEARM Cc1nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000262437539 302554406 /nfs/dbraw/zinc/55/44/06/302554406.db2.gz GMBULFFHTLCWQR-CQDKDKBSSA-N -1 0 313.357 2.120 50 30 DEEARM N#CC1(NC(=O)COc2ccccc2C(=O)[O-])CCCCC1 ZINC000013410689 303146005 /nfs/dbraw/zinc/14/60/05/303146005.db2.gz VNYZHJZRYXVLRG-UHFFFAOYSA-N -1 0 302.330 2.106 50 30 DEEARM N#CC1=C([O-])C(=CNc2ncccn2)C(=O)C[C@H]1c1ccccc1 ZINC000100938271 303158247 /nfs/dbraw/zinc/15/82/47/303158247.db2.gz DVWSQFWGIWCRDF-ZUASWMPRSA-N -1 0 318.336 2.238 50 30 DEEARM CC(C)(C)OC(=O)NC1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000328579468 563839017 /nfs/dbraw/zinc/83/90/17/563839017.db2.gz JYAVXUYLVORZTP-UHFFFAOYSA-N -1 0 321.377 2.478 50 30 DEEARM COC(=O)C[C@@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000016936787 636657146 /nfs/dbraw/zinc/65/71/46/636657146.db2.gz UOIFUBBUJMHVBB-UNDSANKCSA-N -1 0 300.698 2.324 50 30 DEEARM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000048470695 683916441 /nfs/dbraw/zinc/91/64/41/683916441.db2.gz YGFLWBSFIFPDGC-CSKARUKUSA-N -1 0 323.370 2.459 50 30 DEEARM CC1=CC(=O)C(=C([O-])C=Cc2cnn(-c3ccccc3)c2)C(=O)O1 ZINC000102500565 684057358 /nfs/dbraw/zinc/05/73/58/684057358.db2.gz IJPNWUUEZXHXPJ-OZSKJFCKSA-N -1 0 322.320 2.101 50 30 DEEARM Oc1ccc(O)c(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1 ZINC000004756430 181149250 /nfs/dbraw/zinc/14/92/50/181149250.db2.gz QAPZZTILBRLTCC-IUXPMGMMSA-N -1 0 320.312 2.363 50 30 DEEARM CC1(C)CC(=O)C(=CNCc2ccc(C(=O)[O-])cc2)C(=O)C1 ZINC000105301865 355720411 /nfs/dbraw/zinc/72/04/11/355720411.db2.gz GQFAISDHMMAQIG-UHFFFAOYSA-N -1 0 301.342 2.317 50 30 DEEARM Cc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C)cc1Cl ZINC000195573227 356258923 /nfs/dbraw/zinc/25/89/23/356258923.db2.gz AAMXTRKSFXNGEH-UHFFFAOYSA-N -1 0 310.766 2.054 50 30 DEEARM CCOC(=O)/C(=N/[O-])c1c(C)nn(Cc2ccccc2)c1C ZINC000096301162 193612149 /nfs/dbraw/zinc/61/21/49/193612149.db2.gz QBWVRKZRGGJCOB-OBGWFSINSA-N -1 0 301.346 2.290 50 30 DEEARM Oc1ccc(O)c(C=NNc2nnc3c4ccccc4nc-3[n-]2)c1 ZINC000016511721 182047544 /nfs/dbraw/zinc/04/75/44/182047544.db2.gz QAPZZTILBRLTCC-CAOOACKPSA-N -1 0 320.312 2.363 50 30 DEEARM Nc1[nH]nc(-c2ccccc2)c1N=Nc1ccc(C(=O)[O-])cc1 ZINC000016949239 182065716 /nfs/dbraw/zinc/06/57/16/182065716.db2.gz OFPHYUQFTBWPCV-UHFFFAOYSA-N -1 0 307.313 2.137 50 30 DEEARM CO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000058111760 184076312 /nfs/dbraw/zinc/07/63/12/184076312.db2.gz NDWWFUCPDGFBAK-SNVBAGLBSA-N -1 0 324.358 2.163 50 30 DEEARM CCCC[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)[O-] ZINC000004687037 257265833 /nfs/dbraw/zinc/26/58/33/257265833.db2.gz LDIRHMPPDZILID-GFCCVEGCSA-N -1 0 323.414 2.244 50 30 DEEARM CCOc1cc(/C=N/O)cc(Br)c1OCC(=O)[O-] ZINC000002101813 401712172 /nfs/dbraw/zinc/71/21/72/401712172.db2.gz SQHQOZTTXOHLNA-WLRTZDKTSA-N -1 0 318.123 2.119 50 30 DEEARM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000078556797 401856033 /nfs/dbraw/zinc/85/60/33/401856033.db2.gz ZNMTXCHOLRBESQ-UHFFFAOYSA-N -1 0 305.384 2.476 50 30 DEEARM CS(=O)(=O)[N-]C(=O)c1csc(Cc2ccccc2F)n1 ZINC000096410809 402080152 /nfs/dbraw/zinc/08/01/52/402080152.db2.gz GLCNELPFJAKILV-UHFFFAOYSA-N -1 0 314.363 2.137 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000096416210 402080955 /nfs/dbraw/zinc/08/09/55/402080955.db2.gz YWNQKTCFSWXMIZ-UHFFFAOYSA-N -1 0 311.338 2.056 50 30 DEEARM COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000048597671 424834583 /nfs/dbraw/zinc/83/45/83/424834583.db2.gz LSJXPZCXLMFHJW-UHFFFAOYSA-N -1 0 316.338 2.260 50 30 DEEARM COCc1nc(C(=O)[N-]S(=O)(=O)c2cccs2)cs1 ZINC000049155537 424835360 /nfs/dbraw/zinc/83/53/60/424835360.db2.gz LYLNCNURNVLGSH-UHFFFAOYSA-N -1 0 318.401 2.045 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1ccc(OC)c(-c2ccccc2)c1 ZINC000103732465 424848730 /nfs/dbraw/zinc/84/87/30/424848730.db2.gz LJFKTLLMAOKDMF-OAHLLOKOSA-N -1 0 308.337 2.431 50 30 DEEARM N#CC1(NC(=O)CSc2ccccc2C(=O)[O-])CCCC1 ZINC000012940545 303146238 /nfs/dbraw/zinc/14/62/38/303146238.db2.gz DMJCIYJVJDFULV-UHFFFAOYSA-N -1 0 304.371 2.429 50 30 DEEARM O=C(N=S(=O)([O-])c1ccccc1Cl)NC1CCCC1 ZINC000000186100 683829895 /nfs/dbraw/zinc/82/98/95/683829895.db2.gz JUHBFMAJILMEOE-UHFFFAOYSA-N -1 0 302.783 2.475 50 30 DEEARM CC1=CC(=O)C(=C([O-])C=Cc2cnn(-c3ccccc3)c2)C(=O)O1 ZINC000102500568 684057399 /nfs/dbraw/zinc/05/73/99/684057399.db2.gz IJPNWUUEZXHXPJ-IWAYRVGRSA-N -1 0 322.320 2.101 50 30 DEEARM O=C([O-])C1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1 ZINC000000549878 304041587 /nfs/dbraw/zinc/04/15/87/304041587.db2.gz IDNPIBRUVOVNQA-UHFFFAOYSA-N -1 0 319.744 2.313 50 30 DEEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccnn2CCC)C1 ZINC000092065365 193150668 /nfs/dbraw/zinc/15/06/68/193150668.db2.gz YMBMWJQPOQWFPN-INIZCTEOSA-N -1 0 305.378 2.176 50 30 DEEARM CCOC(=O)C(C#N)=C1C(=O)c2ccccc2C([O-])=C1Cl ZINC000000500728 285833877 /nfs/dbraw/zinc/83/38/77/285833877.db2.gz MQFPUDFVKBOKAR-JTQLQIEISA-N -1 0 303.701 2.261 50 30 DEEARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000000172746 401688933 /nfs/dbraw/zinc/68/89/33/401688933.db2.gz LEJMKTRPTHAZNU-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1O ZINC000001250576 401704716 /nfs/dbraw/zinc/70/47/16/401704716.db2.gz WFYDTDXQHQCOES-VGOFMYFVSA-N -1 0 302.315 2.494 50 30 DEEARM N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000012557229 401788473 /nfs/dbraw/zinc/78/84/73/401788473.db2.gz JEYACWOOMFMPCY-UHFFFAOYSA-N -1 0 302.311 2.057 50 30 DEEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cccc2cc[nH]c21 ZINC000096441804 402087798 /nfs/dbraw/zinc/08/77/98/402087798.db2.gz VVTSNCTVJBYIFN-UHFFFAOYSA-N -1 0 319.342 2.466 50 30 DEEARM CCCN(C)S(=O)(=O)[N-]C(=O)c1cccn1C1CCCC1 ZINC000096499661 402097185 /nfs/dbraw/zinc/09/71/85/402097185.db2.gz ACYJPIBAMZQSSW-UHFFFAOYSA-N -1 0 313.423 2.494 50 30 DEEARM C=CC/N=c1\sc(C)c([O-])n1S(=O)(=O)c1ccc(C)cc1 ZINC000100842628 402142765 /nfs/dbraw/zinc/14/27/65/402142765.db2.gz IVENNWFAMWJAKK-PHIZWAGYSA-N -1 0 324.427 2.190 50 30 DEEARM C[C@@H](C(=O)[O-])N(C)C(=O)CC1=C(c2ccccc2)CCC1=O ZINC000426470912 405362293 /nfs/dbraw/zinc/36/22/93/405362293.db2.gz UHLYSKFAUHRCPN-NSHDSACASA-N -1 0 301.342 2.125 50 30 DEEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000046927917 424822086 /nfs/dbraw/zinc/82/20/86/424822086.db2.gz QCKHRZJRSWZYMR-UHFFFAOYSA-N -1 0 319.338 2.417 50 30 DEEARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000048535726 424833563 /nfs/dbraw/zinc/83/35/63/424833563.db2.gz SQPNJVCTWPTQBC-ONGXEEELSA-N -1 0 311.359 2.149 50 30 DEEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)o1 ZINC000048461624 424833576 /nfs/dbraw/zinc/83/35/76/424833576.db2.gz ZRSPQANYDOPDFZ-UHFFFAOYSA-N -1 0 323.326 2.053 50 30 DEEARM N#Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000048427214 424833986 /nfs/dbraw/zinc/83/39/86/424833986.db2.gz CRULZINHBYMQPQ-UHFFFAOYSA-N -1 0 322.367 2.344 50 30 DEEARM CCc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000101432074 424847059 /nfs/dbraw/zinc/84/70/59/424847059.db2.gz OLSGXKTYAXZDIL-GFCCVEGCSA-N -1 0 303.318 2.004 50 30 DEEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CC[C@@H]1CCCO1 ZINC000048507283 534814535 /nfs/dbraw/zinc/81/45/35/534814535.db2.gz LVNLHCYLZKIRGV-AWEZNQCLSA-N -1 0 322.386 2.304 50 30 DEEARM Cn1cc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)cn1 ZINC000048676346 527282787 /nfs/dbraw/zinc/28/27/87/527282787.db2.gz GAGQBHLODFHXFV-UHFFFAOYSA-N -1 0 307.375 2.088 50 30 DEEARM [O-][C@]1(C(F)(F)F)OCCN=C1C(F)(F)C(F)(F)C(F)F ZINC000002963098 625041354 /nfs/dbraw/zinc/04/13/54/625041354.db2.gz XWZCPKQZHALANG-ZETCQYMHSA-N -1 0 319.123 2.244 50 30 DEEARM C=C(C)CN1CCN([C@@H](C(=O)[O-])c2cc(C)ccc2OC)CC1 ZINC001506425728 1061970906 /nfs/dbraw/zinc/97/09/06/1061970906.db2.gz CVRGMQONVYITAW-QGZVFWFLSA-N -1 0 318.417 2.323 50 30 DEEARM Cc1cc(C(=O)[N-]S(C)(=O)=O)c(C)cc1Br ZINC000095454194 185369842 /nfs/dbraw/zinc/36/98/42/185369842.db2.gz YNORGLKAWXNHLW-UHFFFAOYSA-N -1 0 306.181 2.330 50 30 DEEARM COc1cccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC000004955516 181179056 /nfs/dbraw/zinc/17/90/56/181179056.db2.gz FSINITVGBUFTCH-XNTDXEJSSA-N -1 0 306.343 2.388 50 30 DEEARM N#CC(=C([O-])c1cnn(-c2ccccc2)n1)c1ccc(F)cn1 ZINC000078984856 355289106 /nfs/dbraw/zinc/28/91/06/355289106.db2.gz VGEBWOPNZHMOJI-CYBMUJFWSA-N -1 0 307.288 2.291 50 30 DEEARM O=C([O-])c1ccccc1/C=N/NC(=S)NCc1ccccc1 ZINC000000112721 401688174 /nfs/dbraw/zinc/68/81/74/401688174.db2.gz SWQYMTQAOQXQMR-WOJGMQOQSA-N -1 0 313.382 2.383 50 30 DEEARM Cc1cccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000071892379 401693432 /nfs/dbraw/zinc/69/34/32/401693432.db2.gz FZSYPFCQCXYBDT-ZIAGYGMSSA-N -1 0 319.386 2.177 50 30 DEEARM N#Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013264850 401798334 /nfs/dbraw/zinc/79/83/34/401798334.db2.gz QOSRVFKFJXJBKW-UHFFFAOYSA-N -1 0 302.311 2.057 50 30 DEEARM N#CC1=C([O-])NC(N2CCc3ccccc32)=NC12CCCCC2 ZINC000009096612 401759190 /nfs/dbraw/zinc/75/91/90/401759190.db2.gz WUIGEFCKYPAWFX-AWEZNQCLSA-N -1 0 308.385 2.378 50 30 DEEARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C#N)cc1 ZINC000010720922 401771853 /nfs/dbraw/zinc/77/18/53/401771853.db2.gz ZBWLUBRKGMEDTE-UHFFFAOYSA-N -1 0 324.365 2.128 50 30 DEEARM CCN1C(=O)C[C@@H](C(=O)[O-])S/C1=N\c1ccc(OC)cc1 ZINC000012469129 401786288 /nfs/dbraw/zinc/78/62/88/401786288.db2.gz SFYKWJLZARNXSO-ICFTUWFRSA-N -1 0 308.359 2.121 50 30 DEEARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C#N)c(C)o1 ZINC000152711122 402105020 /nfs/dbraw/zinc/10/50/20/402105020.db2.gz AODJGBPCOSIWJZ-UHFFFAOYSA-N -1 0 320.326 2.047 50 30 DEEARM CCOC(=O)C1=C([O-])CSC1=Nc1ccc([N+](=O)[O-])cc1 ZINC000100431562 402141232 /nfs/dbraw/zinc/14/12/32/402141232.db2.gz HYQUHMKLBMSXFZ-UHFFFAOYSA-N -1 0 308.315 2.097 50 30 DEEARM C=CCn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000101061549 402143285 /nfs/dbraw/zinc/14/32/85/402143285.db2.gz POMPOSQZUGRMIA-UHFFFAOYSA-N -1 0 324.336 2.416 50 30 DEEARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cn3)ccc2O1 ZINC000069918134 402251221 /nfs/dbraw/zinc/25/12/21/402251221.db2.gz OXBLPEUEIGSCRZ-JTQLQIEISA-N -1 0 315.354 2.077 50 30 DEEARM C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1OC ZINC000263498009 402775083 /nfs/dbraw/zinc/77/50/83/402775083.db2.gz YHSWBHFDPSEAPQ-MNOVXSKESA-N -1 0 307.346 2.099 50 30 DEEARM COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000048597714 424834763 /nfs/dbraw/zinc/83/47/63/424834763.db2.gz OREGACARXRIHHN-UHFFFAOYSA-N -1 0 316.338 2.260 50 30 DEEARM N#CC(C(=O)NC[C@@H]1CCCO1)=C([O-])c1cccc2ccccc21 ZINC000103502322 424848507 /nfs/dbraw/zinc/84/85/07/424848507.db2.gz OTTPRRXQDFVHFK-WMLDXEAASA-N -1 0 322.364 2.457 50 30 DEEARM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000058291093 525899987 /nfs/dbraw/zinc/89/99/87/525899987.db2.gz GLYZPQQYPFPAEX-MRVPVSSYSA-N -1 0 319.329 2.425 50 30 DEEARM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)c(C(N)=O)c1 ZINC000004738363 634121369 /nfs/dbraw/zinc/12/13/69/634121369.db2.gz VRKZTJDZRZUYQJ-NVMNQCDNSA-N -1 0 313.313 2.025 50 30 DEEARM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000089977551 185273349 /nfs/dbraw/zinc/27/33/49/185273349.db2.gz BGZORNWAIZUVPJ-UHFFFAOYSA-N -1 0 319.390 2.007 50 30 DEEARM N#CC(=C([O-])c1cnn(-c2ccccc2)n1)c1ccc(F)cn1 ZINC000078984848 355289287 /nfs/dbraw/zinc/28/92/87/355289287.db2.gz VGEBWOPNZHMOJI-ZDUSSCGKSA-N -1 0 307.288 2.291 50 30 DEEARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1cccc(C#N)c1 ZINC000002575662 401715484 /nfs/dbraw/zinc/71/54/84/401715484.db2.gz CYGNMSRSGBBZOE-ZDUSSCGKSA-N -1 0 304.346 2.469 50 30 DEEARM C=CCC1C(=O)N=C(SCC(=O)c2ccccc2)N=C1[O-] ZINC000008829128 401756971 /nfs/dbraw/zinc/75/69/71/401756971.db2.gz OLAOHDXMZJIUCE-UHFFFAOYSA-N -1 0 302.355 2.179 50 30 DEEARM N#Cc1ccc(C(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC000012998785 401795218 /nfs/dbraw/zinc/79/52/18/401795218.db2.gz CCWASUCKCREDQS-LLVKDONJSA-N -1 0 314.263 2.331 50 30 DEEARM N#Cc1ccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000069901131 402250470 /nfs/dbraw/zinc/25/04/70/402250470.db2.gz TVFCCYWMVNNRCB-UHFFFAOYSA-N -1 0 314.366 2.435 50 30 DEEARM O=C1Nc2ccccc2C1=NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000252623972 402659588 /nfs/dbraw/zinc/65/95/88/402659588.db2.gz PDHSMPMGIUMIFY-UHFFFAOYSA-N -1 0 310.269 2.076 50 30 DEEARM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000048427468 424833680 /nfs/dbraw/zinc/83/36/80/424833680.db2.gz IHYNMGOQOQHPNI-UHFFFAOYSA-N -1 0 318.420 2.090 50 30 DEEARM COc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000103503840 424848584 /nfs/dbraw/zinc/84/85/84/424848584.db2.gz ZHYPIOOHWSWHGT-OAHLLOKOSA-N -1 0 300.358 2.467 50 30 DEEARM CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccs1 ZINC000071913729 519701022 /nfs/dbraw/zinc/70/10/22/519701022.db2.gz BEGLILBFZLJNQR-UHFFFAOYSA-N -1 0 318.420 2.088 50 30 DEEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1)C(=O)[O-] ZINC000014179386 525919907 /nfs/dbraw/zinc/91/99/07/525919907.db2.gz SVBNFYVODXLQMC-TXGYYHNKSA-N -1 0 300.314 2.168 50 30 DEEARM Cc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000036089813 527158778 /nfs/dbraw/zinc/15/87/78/527158778.db2.gz QAIWZXLGDXPKLS-RQZCQDPDSA-N -1 0 324.296 2.201 50 30 DEEARM N#CCCn1cc(/C=C\C(=O)[O-])c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033778920 648161006 /nfs/dbraw/zinc/16/10/06/648161006.db2.gz ULYRXSMZHVVHIE-WAYWQWQTSA-N -1 0 312.285 2.470 50 30 DEEARM CCn1cc(S(=O)(=O)[N-]c2sc(C)cc2C#N)nc1C ZINC000585129714 790325015 /nfs/dbraw/zinc/32/50/15/790325015.db2.gz SNVFBMRZQXTLHK-UHFFFAOYSA-N -1 0 310.404 2.254 50 30 DEEARM C#CCCC1(CCC(=O)N2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)N=N1 ZINC000952876393 792792154 /nfs/dbraw/zinc/79/21/54/792792154.db2.gz PFFOTHNTTNXVMG-INIZCTEOSA-N -1 0 321.352 2.148 50 30 DEEARM COCCS(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC000078986280 185141097 /nfs/dbraw/zinc/14/10/97/185141097.db2.gz XULZMDPYVRYLCN-UHFFFAOYSA-N -1 0 311.403 2.041 50 30 DEEARM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccs1 ZINC000095440729 185366248 /nfs/dbraw/zinc/36/62/48/185366248.db2.gz BRBHBDIDBWTMIV-UHFFFAOYSA-N -1 0 302.764 2.490 50 30 DEEARM N#Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000040161391 183041141 /nfs/dbraw/zinc/04/11/41/183041141.db2.gz QGGFDXNPJMEQSV-UHFFFAOYSA-N -1 0 320.301 2.196 50 30 DEEARM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCCC2)cc1OC ZINC000103502454 533353618 /nfs/dbraw/zinc/35/36/18/533353618.db2.gz VUSUAGCPXWRALD-CYBMUJFWSA-N -1 0 316.357 2.039 50 30 DEEARM COc1ccc(C=Nn2c(=O)c(C(C)(C)C)n[n-]c2=S)cc1 ZINC000004134984 401725568 /nfs/dbraw/zinc/72/55/68/401725568.db2.gz PEPWCEBEHKWMEV-CXUHLZMHSA-N -1 0 318.402 2.489 50 30 DEEARM Cc1cc(C)n(NC(=O)c2cc(Cl)ccc2[O-])c(=O)c1C#N ZINC000002635221 401715990 /nfs/dbraw/zinc/71/59/90/401715990.db2.gz IIOWIPWTVRCNND-UHFFFAOYSA-N -1 0 317.732 2.080 50 30 DEEARM Cc1cccc(S(=O)(=O)[N-]c2nn(C)cc2C#N)c1Cl ZINC000097033908 402100065 /nfs/dbraw/zinc/10/00/65/402100065.db2.gz XFVXLQMQFAJTKP-UHFFFAOYSA-N -1 0 310.766 2.054 50 30 DEEARM O=C([O-])c1ccccc1NC1=CC(=O)c2c(O)cccc2C1=O ZINC000101086425 402143801 /nfs/dbraw/zinc/14/38/01/402143801.db2.gz GJCKCQRHMNIWGO-UHFFFAOYSA-N -1 0 309.277 2.465 50 30 DEEARM CCOc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000105639421 402209052 /nfs/dbraw/zinc/20/90/52/402209052.db2.gz KQCWJLMIWZLNTL-HLRDLLSLSA-N -1 0 300.310 2.314 50 30 DEEARM N#Cc1cn(CCc2ccc(N3CCCCC3)cc2)c(=O)[n-]c1=O ZINC000048229531 424830784 /nfs/dbraw/zinc/83/07/84/424830784.db2.gz TWWIOCOIGFUCSE-UHFFFAOYSA-N -1 0 324.384 2.054 50 30 DEEARM CS[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048518467 424834173 /nfs/dbraw/zinc/83/41/73/424834173.db2.gz NXHLQEYKWKDATJ-QMMMGPOBSA-N -1 0 318.376 2.133 50 30 DEEARM COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000048496740 424834176 /nfs/dbraw/zinc/83/41/76/424834176.db2.gz QEDDBNBORTXCCH-UHFFFAOYSA-N -1 0 316.338 2.260 50 30 DEEARM Cc1cccc(C)c1CC(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000097147537 534651021 /nfs/dbraw/zinc/65/10/21/534651021.db2.gz VYBIPJINNXOAHF-UHFFFAOYSA-N -1 0 308.359 2.320 50 30 DEEARM CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)cn1 ZINC000097081471 528697901 /nfs/dbraw/zinc/69/79/01/528697901.db2.gz DLEORXHASKDLDA-UHFFFAOYSA-N -1 0 313.404 2.294 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000096416185 528794215 /nfs/dbraw/zinc/79/42/15/528794215.db2.gz SLBVEHBCADVFNM-UHFFFAOYSA-N -1 0 307.375 2.225 50 30 DEEARM C[C@H](Oc1ccccc1Br)C(=O)[N-]S(C)(=O)=O ZINC000079029106 185147252 /nfs/dbraw/zinc/14/72/52/185147252.db2.gz HWOBWMKJGXNSOW-ZETCQYMHSA-N -1 0 322.180 2.133 50 30 DEEARM N#Cc1ccc([O-])c(NC(=O)c2cc(-n3cccn3)ccn2)c1 ZINC000078998410 355290038 /nfs/dbraw/zinc/29/00/38/355290038.db2.gz UUZUTKDXRODFNL-UHFFFAOYSA-N -1 0 305.297 2.097 50 30 DEEARM CCN1C(=O)C[C@H](C(=O)[O-])S/C1=N\c1ccc(OC)cc1 ZINC000012469135 181766256 /nfs/dbraw/zinc/76/62/56/181766256.db2.gz SFYKWJLZARNXSO-PHIZWAGYSA-N -1 0 308.359 2.121 50 30 DEEARM CCOc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000003543707 401724830 /nfs/dbraw/zinc/72/48/30/401724830.db2.gz KQCWJLMIWZLNTL-ROJDOSBLSA-N -1 0 300.310 2.314 50 30 DEEARM N#CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000528172 401700181 /nfs/dbraw/zinc/70/01/81/401700181.db2.gz DTCWMQJKXUGDLE-UHFFFAOYSA-N -1 0 317.326 2.462 50 30 DEEARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1C#N ZINC000002385893 401713344 /nfs/dbraw/zinc/71/33/44/401713344.db2.gz HBMUTHPYXNFHBB-CYBMUJFWSA-N -1 0 304.346 2.469 50 30 DEEARM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1ccccn1 ZINC000076020521 401777967 /nfs/dbraw/zinc/77/79/67/401777967.db2.gz BRKUERONKISTOZ-JTQLQIEISA-N -1 0 307.338 2.485 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000050204722 402026415 /nfs/dbraw/zinc/02/64/15/402026415.db2.gz BXHMAWKIMXSQAW-ZJUUUORDSA-N -1 0 318.192 2.469 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000050204721 402026587 /nfs/dbraw/zinc/02/65/87/402026587.db2.gz BXHMAWKIMXSQAW-NXEZZACHSA-N -1 0 318.192 2.469 50 30 DEEARM CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000102786801 402172425 /nfs/dbraw/zinc/17/24/25/402172425.db2.gz SCCKSQOVKDHMOW-WAVCKPEOSA-N -1 0 300.310 2.314 50 30 DEEARM CC(C)(C)c1nc(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)cs1 ZINC000170619573 402507712 /nfs/dbraw/zinc/50/77/12/402507712.db2.gz OWYHDBISCIYCMS-UHFFFAOYSA-N -1 0 314.374 2.088 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1OC ZINC000047831700 424827738 /nfs/dbraw/zinc/82/77/38/424827738.db2.gz XORJZDSWLMLFLF-UHFFFAOYSA-N -1 0 301.364 2.395 50 30 DEEARM CC[C@@H](C)C(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1 ZINC000100700610 424846280 /nfs/dbraw/zinc/84/62/80/424846280.db2.gz OIQSDPNQLIEQBD-IUODEOHRSA-N -1 0 310.357 2.264 50 30 DEEARM COC(=O)C[C@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000016936790 636657089 /nfs/dbraw/zinc/65/70/89/636657089.db2.gz UOIFUBBUJMHVBB-LCMBMATOSA-N -1 0 300.698 2.324 50 30 DEEARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1C#N ZINC000585129248 790324238 /nfs/dbraw/zinc/32/42/38/790324238.db2.gz CONKFGGXLBZDMX-UHFFFAOYSA-N -1 0 304.375 2.018 50 30 DEEARM Cc1ccc(-c2n[nH]c(N)c2N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000016949247 182065526 /nfs/dbraw/zinc/06/55/26/182065526.db2.gz NETNIKBXSBSLPO-UHFFFAOYSA-N -1 0 321.340 2.446 50 30 DEEARM CC(C)[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000020064658 182184819 /nfs/dbraw/zinc/18/48/19/182184819.db2.gz OIPYTSUOFLTABO-LLVKDONJSA-N -1 0 307.733 2.215 50 30 DEEARM C=CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000105640377 194116889 /nfs/dbraw/zinc/11/68/89/194116889.db2.gz HGDPADAXSMUZLQ-QWPQOLDESA-N -1 0 312.321 2.480 50 30 DEEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1[N+](=O)[O-] ZINC000004344444 401726311 /nfs/dbraw/zinc/72/63/11/401726311.db2.gz UEUQTSJPVKMVEJ-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM C=CC[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000000485778 401699567 /nfs/dbraw/zinc/69/95/67/401699567.db2.gz CVIIEVKDNDVREO-SUKQMUEJSA-N -1 0 311.337 2.002 50 30 DEEARM Cc1nc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C#N ZINC000072277019 401705442 /nfs/dbraw/zinc/70/54/42/401705442.db2.gz IMWMIURJYKGOEG-LBPRGKRZSA-N -1 0 315.354 2.269 50 30 DEEARM Cc1ccc(/C=N/Nc2nc(=O)c(Cc3ccccc3)n[n-]2)o1 ZINC000013544773 401800701 /nfs/dbraw/zinc/80/07/01/401800701.db2.gz BRNILPALSNSGKI-LICLKQGHSA-N -1 0 309.329 2.103 50 30 DEEARM CN(C)/C=C1\C(=O)c2sccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000012861331 401792896 /nfs/dbraw/zinc/79/28/96/401792896.db2.gz CMVMKIWABGOSPV-GRKOMRHMSA-N -1 0 304.293 2.110 50 30 DEEARM O=C([N-]S(=O)(=O)c1cccnc1)c1scnc1C1CC1 ZINC000089964188 401976913 /nfs/dbraw/zinc/97/69/13/401976913.db2.gz HYVSZTWBTBSKLZ-UHFFFAOYSA-N -1 0 309.372 2.109 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C#N)c2)c(C)s1 ZINC000097049006 402102790 /nfs/dbraw/zinc/10/27/90/402102790.db2.gz PRAATDMSDGLYPF-UHFFFAOYSA-N -1 0 309.372 2.258 50 30 DEEARM N#CCCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000097109054 402108314 /nfs/dbraw/zinc/10/83/14/402108314.db2.gz LOVCTTIILMISJL-UHFFFAOYSA-N -1 0 315.285 2.449 50 30 DEEARM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000097595953 402127462 /nfs/dbraw/zinc/12/74/62/402127462.db2.gz SAQRUJSHHUNEOQ-UHFFFAOYSA-N -1 0 312.391 2.028 50 30 DEEARM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cocn1 ZINC000105758100 402209220 /nfs/dbraw/zinc/20/92/20/402209220.db2.gz STXNNWTYRBFYCD-QMMMGPOBSA-N -1 0 307.668 2.428 50 30 DEEARM CNN=Cc1cc(Br)cc(Br)c1[O-] ZINC000254383249 402670689 /nfs/dbraw/zinc/67/06/89/402670689.db2.gz ACZDGDQUPRSSQL-UHFFFAOYSA-N -1 0 307.973 2.471 50 30 DEEARM C[C@H](NC(=O)C1(C#N)CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000262961449 225288374 /nfs/dbraw/zinc/28/83/74/225288374.db2.gz HZXSECTXSIJYPM-LBPRGKRZSA-N -1 0 316.357 2.411 50 30 DEEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)noc2C)cc1 ZINC000048451872 424833810 /nfs/dbraw/zinc/83/38/10/424833810.db2.gz BRWNYXWCDPDJNI-UHFFFAOYSA-N -1 0 324.358 2.384 50 30 DEEARM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000048648106 519443412 /nfs/dbraw/zinc/44/34/12/519443412.db2.gz WDUOHRGZKCNKAV-RYUDHWBXSA-N -1 0 311.407 2.304 50 30 DEEARM CO[C@H](C(=O)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000070011065 523818016 /nfs/dbraw/zinc/81/80/16/523818016.db2.gz SDHUFULGEZYWBE-LBPRGKRZSA-N -1 0 324.358 2.324 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2OC)c1 ZINC000058187519 526243369 /nfs/dbraw/zinc/24/33/69/526243369.db2.gz QICVNKQXBUCQAL-UHFFFAOYSA-N -1 0 321.354 2.397 50 30 DEEARM O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000048594905 527195516 /nfs/dbraw/zinc/19/55/16/527195516.db2.gz RSNDGCYOLKPOPW-UHFFFAOYSA-N -1 0 319.338 2.250 50 30 DEEARM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000225470904 528211654 /nfs/dbraw/zinc/21/16/54/528211654.db2.gz HORYNVSIUYSOLN-UHFFFAOYSA-N -1 0 310.375 2.156 50 30 DEEARM COP(=O)(OC)C(C=O)=N[N-]c1ccc([N+](=O)[O-])cc1 ZINC000886012240 637333544 /nfs/dbraw/zinc/33/35/44/637333544.db2.gz DDOMHJLHPCYORY-UHFFFAOYSA-N -1 0 301.195 2.005 50 30 DEEARM C#CCCC1(CCC(=O)N2CCc3occc3[C@H]2C(=O)[O-])N=N1 ZINC000952880382 792794522 /nfs/dbraw/zinc/79/45/22/792794522.db2.gz JZQRDDHGLCDWKW-AWEZNQCLSA-N -1 0 315.329 2.146 50 30 DEEARM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c[nH]nc1C ZINC000078899991 185125688 /nfs/dbraw/zinc/12/56/88/185125688.db2.gz NTSBJAWKCFJLSA-UHFFFAOYSA-N -1 0 319.390 2.213 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cscn2)cc1C ZINC000078411393 539366681 /nfs/dbraw/zinc/36/66/81/539366681.db2.gz CSQWPWDXTOEENN-UHFFFAOYSA-N -1 0 312.372 2.154 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)C2CCOCC2)cc1C ZINC000066887025 354736778 /nfs/dbraw/zinc/73/67/78/354736778.db2.gz UHQAPGCYNPNKLN-UHFFFAOYSA-N -1 0 313.375 2.075 50 30 DEEARM C=CCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000170605076 355988019 /nfs/dbraw/zinc/98/80/19/355988019.db2.gz KHLJJJQZIZLEBN-UHFFFAOYSA-N -1 0 305.758 2.391 50 30 DEEARM N#Cc1ccnc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000195578591 356259200 /nfs/dbraw/zinc/25/92/00/356259200.db2.gz WVAFCGRAAOIFLX-UHFFFAOYSA-N -1 0 309.297 2.173 50 30 DEEARM C=CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000089429195 192788525 /nfs/dbraw/zinc/78/85/25/192788525.db2.gz IQOPAKYZSPUWEI-CYBMUJFWSA-N -1 0 319.357 2.197 50 30 DEEARM CCOc1cc(C#N)cc(Br)c1OCC(=O)[O-] ZINC000005953426 181299929 /nfs/dbraw/zinc/29/99/29/181299929.db2.gz UYFDYMXUGXYSHC-UHFFFAOYSA-N -1 0 300.108 2.183 50 30 DEEARM C=CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000024573824 182383736 /nfs/dbraw/zinc/38/37/36/182383736.db2.gz HGDPADAXSMUZLQ-OZSKJFCKSA-N -1 0 312.321 2.480 50 30 DEEARM O=C(N=S(=O)([O-])c1ccccc1)Nc1cccc2n[nH]cc21 ZINC000008855430 401756779 /nfs/dbraw/zinc/75/67/79/401756779.db2.gz JPHHAHODLFPCDD-UHFFFAOYSA-N -1 0 316.342 2.278 50 30 DEEARM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccnc2)n1 ZINC000075572798 401763074 /nfs/dbraw/zinc/76/30/74/401763074.db2.gz CGRDOHVFUWCCAB-JTQLQIEISA-N -1 0 301.327 2.205 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]C(=O)c2cscn2)c(F)cc1F ZINC000096461323 402091774 /nfs/dbraw/zinc/09/17/74/402091774.db2.gz GPMSSQXCSGEWIW-UHFFFAOYSA-N -1 0 318.326 2.423 50 30 DEEARM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000097135111 402109834 /nfs/dbraw/zinc/10/98/34/402109834.db2.gz MWFCCQSBSQACSK-UHFFFAOYSA-N -1 0 318.289 2.034 50 30 DEEARM CCCCCCCCCCOC(=O)[C@H](C)NCS(=O)(=O)[O-] ZINC000097972985 402133851 /nfs/dbraw/zinc/13/38/51/402133851.db2.gz SCJBPQRLOGOKDX-ZDUSSCGKSA-N -1 0 323.455 2.494 50 30 DEEARM O=C([O-])c1ccccc1CC(=O)Nc1n[nH]c(-c2cccnc2)n1 ZINC000071285124 402272165 /nfs/dbraw/zinc/27/21/65/402272165.db2.gz NRNVPEKCBPYYNV-UHFFFAOYSA-N -1 0 323.312 2.396 50 30 DEEARM Cn1cc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000071859268 402289611 /nfs/dbraw/zinc/28/96/11/402289611.db2.gz NUOIWPJHSAFGIR-QWHCGFSZSA-N -1 0 323.349 2.008 50 30 DEEARM CC[C@@H]1CCc2c(C#N)c(NC(=O)COCC(=O)[O-])sc2C1 ZINC000017056038 287120575 /nfs/dbraw/zinc/12/05/75/287120575.db2.gz QERJCAMVYMMSDH-SECBINFHSA-N -1 0 322.386 2.174 50 30 DEEARM N#Cc1c(N)oc2c1cc([O-])c1c2C(=O)c2ccccc2C1=O ZINC000004037390 303177167 /nfs/dbraw/zinc/17/71/67/303177167.db2.gz LATVFWSHQUYEAD-UHFFFAOYSA-N -1 0 304.261 2.368 50 30 biogenic DEEARM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000048648100 519442861 /nfs/dbraw/zinc/44/28/61/519442861.db2.gz WDUOHRGZKCNKAV-VXGBXAGGSA-N -1 0 311.407 2.304 50 30 DEEARM CCN(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(OC)cc1 ZINC000078984804 185140166 /nfs/dbraw/zinc/14/01/66/185140166.db2.gz NHWFTBRCGKCDSP-UHFFFAOYSA-N -1 0 314.407 2.171 50 30 DEEARM COc1ccc(C#N)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000071846863 191031510 /nfs/dbraw/zinc/03/15/10/191031510.db2.gz VJJBIUXGWLZDSJ-RYUDHWBXSA-N -1 0 300.314 2.172 50 30 DEEARM COc1ccc(-c2nn(CCC#N)cc2C(=O)[O-])cc1OC ZINC000003410579 181016559 /nfs/dbraw/zinc/01/65/59/181016559.db2.gz CDNBIADOUBZFIZ-UHFFFAOYSA-N -1 0 301.302 2.179 50 30 DEEARM C=CCn1c(=O)c2c(nc1SCC(=O)[O-])sc1c2CCC1 ZINC000005059343 181198593 /nfs/dbraw/zinc/19/85/93/181198593.db2.gz NOJOUFXQZQYYMY-UHFFFAOYSA-N -1 0 322.411 2.309 50 30 DEEARM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(OC)c1 ZINC000006328186 181330181 /nfs/dbraw/zinc/33/01/81/181330181.db2.gz KFYWQHLXILHSAF-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000091459613 193059627 /nfs/dbraw/zinc/05/96/27/193059627.db2.gz IMGNCGFQGARHHT-KRWDZBQOSA-N -1 0 317.389 2.103 50 30 DEEARM Cc1nc(C=CC(=O)[N-]S(=O)(=O)c2cccnc2)cs1 ZINC000042322933 183254398 /nfs/dbraw/zinc/25/43/98/183254398.db2.gz WKCPJDYUILNEOW-SNAWJCMRSA-N -1 0 309.372 2.205 50 30 DEEARM CNC(=S)N/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000000520117 401700220 /nfs/dbraw/zinc/70/02/20/401700220.db2.gz WNCHYIAZCYPXBU-LZYBPNLTSA-N -1 0 303.343 2.073 50 30 DEEARM N#CC(=C([O-])c1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000009338869 401761459 /nfs/dbraw/zinc/76/14/59/401761459.db2.gz GRUVFHGAJDZYFN-NSHDSACASA-N -1 0 320.312 2.280 50 30 DEEARM Nc1ccccc1-c1nnc(NN=Cc2ccccc2)[n-]c1=O ZINC000015015714 401815017 /nfs/dbraw/zinc/81/50/17/401815017.db2.gz XZCNDSMZOWSYDJ-VCHYOVAHSA-N -1 0 306.329 2.272 50 30 DEEARM C=CCn1nc(C)c(C(=O)N[C@H](CC(=O)[O-])CC(C)C)c1C ZINC000426495586 405363968 /nfs/dbraw/zinc/36/39/68/405363968.db2.gz IPCSXXMTGWONLE-ZDUSSCGKSA-N -1 0 307.394 2.305 50 30 DEEARM C[C@@H](NC(=O)C1(C#N)CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000262961446 225289121 /nfs/dbraw/zinc/28/91/21/225289121.db2.gz HZXSECTXSIJYPM-GFCCVEGCSA-N -1 0 316.357 2.411 50 30 DEEARM N#Cc1ccc(OCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000299741355 229376217 /nfs/dbraw/zinc/37/62/17/229376217.db2.gz FGSJLQNILFAMKB-AWEZNQCLSA-N -1 0 316.357 2.040 50 30 DEEARM CC(C)c1noc(CCC(=O)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000048405905 424832586 /nfs/dbraw/zinc/83/25/86/424832586.db2.gz QOLILEKWTDTTDM-UHFFFAOYSA-N -1 0 323.374 2.471 50 30 DEEARM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)c1 ZINC000048609082 424835121 /nfs/dbraw/zinc/83/51/21/424835121.db2.gz WLINUEGQNYVJPK-LBPRGKRZSA-N -1 0 308.359 2.163 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2F)c1C ZINC000103508169 424848571 /nfs/dbraw/zinc/84/85/71/424848571.db2.gz KGZRIZZLAZCQBM-ZDUSSCGKSA-N -1 0 313.332 2.302 50 30 DEEARM N#CC(C(=O)NC[C@@H]1CCCO1)=C([O-])c1cccc2ccccc21 ZINC000103502325 424848675 /nfs/dbraw/zinc/84/86/75/424848675.db2.gz OTTPRRXQDFVHFK-YOEHRIQHSA-N -1 0 322.364 2.457 50 30 DEEARM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000103503507 424848742 /nfs/dbraw/zinc/84/87/42/424848742.db2.gz XIHRQYARGKXGHE-INIZCTEOSA-N -1 0 308.337 2.334 50 30 DEEARM CC(C)c1csc(C(C#N)=C([O-])c2ccn(C)c(=O)c2)n1 ZINC000080456757 519857239 /nfs/dbraw/zinc/85/72/39/519857239.db2.gz YJZLRFHDCPIFTF-LLVKDONJSA-N -1 0 301.371 2.455 50 30 DEEARM CC(=NNc1ccc(C(=O)[O-])cc1)c1nnc2cc(C)nn2c1C ZINC000004738365 634121423 /nfs/dbraw/zinc/12/14/23/634121423.db2.gz NTKINYKDYVZSAU-YVLHZVERSA-N -1 0 324.344 2.275 50 30 DEEARM CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(F)c1Cl ZINC000089955547 185271784 /nfs/dbraw/zinc/27/17/84/185271784.db2.gz NZCVLLJCLXKMHQ-UHFFFAOYSA-N -1 0 308.762 2.370 50 30 DEEARM N#CCc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000097017928 185397765 /nfs/dbraw/zinc/39/77/65/185397765.db2.gz HLNQHEPBRBNNGN-KRWDZBQOSA-N -1 0 320.348 2.404 50 30 DEEARM CCOC(=O)/C(=N\[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000004801774 181152996 /nfs/dbraw/zinc/15/29/96/181152996.db2.gz QZLRGQORTLZBCZ-JXAWBTAJSA-N -1 0 305.309 2.370 50 30 DEEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cccc(F)c2)C1=O ZINC000005902754 181294472 /nfs/dbraw/zinc/29/44/72/181294472.db2.gz FRRQEJYXYZGMQV-OUKQBFOZSA-N -1 0 317.320 2.166 50 30 DEEARM C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1OC ZINC000263498008 203473599 /nfs/dbraw/zinc/47/35/99/203473599.db2.gz YHSWBHFDPSEAPQ-GHMZBOCLSA-N -1 0 307.346 2.099 50 30 DEEARM COc1ccc(C([O-])=C(C#N)C(=O)N2CCCCC2)cc1OC ZINC000103502457 533354478 /nfs/dbraw/zinc/35/44/78/533354478.db2.gz VUSUAGCPXWRALD-ZDUSSCGKSA-N -1 0 316.357 2.039 50 30 DEEARM Cc1c(C#N)c(=O)n(-c2cccc(C(F)(F)F)c2)nc1C(=O)[O-] ZINC000000094566 401688038 /nfs/dbraw/zinc/68/80/38/401688038.db2.gz WJWXCCGKESEFGQ-UHFFFAOYSA-N -1 0 323.230 2.130 50 30 DEEARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000009869841 401766142 /nfs/dbraw/zinc/76/61/42/401766142.db2.gz SXZRBTLZSWMUIF-UHFFFAOYSA-N -1 0 316.338 2.146 50 30 DEEARM N#Cc1ccc([O-])c(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1 ZINC000096450061 402089830 /nfs/dbraw/zinc/08/98/30/402089830.db2.gz RHSPMGRRUPDUHB-UHFFFAOYSA-N -1 0 309.325 2.083 50 30 DEEARM COc1ccc(OC)c(NC=CC([O-])=C2C(=O)CCCC2=O)c1 ZINC000100867228 402142900 /nfs/dbraw/zinc/14/29/00/402142900.db2.gz MXHIOHOEIPUUHT-CMDGGOBGSA-N -1 0 317.341 2.137 50 30 DEEARM Cn1cccc1C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000071803825 402279737 /nfs/dbraw/zinc/27/97/37/402279737.db2.gz VYNXYEVBJNGYNU-UHFFFAOYSA-N -1 0 315.354 2.267 50 30 DEEARM CO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000071844002 402287798 /nfs/dbraw/zinc/28/77/98/402287798.db2.gz NDWWFUCPDGFBAK-JTQLQIEISA-N -1 0 324.358 2.163 50 30 DEEARM CC1(C)CC(=O)C(=NNc2cc([N+](=O)[O-])ccc2[O-])C(=O)C1 ZINC000035973926 520253843 /nfs/dbraw/zinc/25/38/43/520253843.db2.gz LNFYUTXLEHCJFB-UHFFFAOYSA-N -1 0 305.290 2.027 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC2CC2)c1 ZINC000058188139 526243436 /nfs/dbraw/zinc/24/34/36/526243436.db2.gz DBDLGWMGWHGVRR-SNVBAGLBSA-N -1 0 313.375 2.156 50 30 DEEARM CC(C)(C)N1C(=O)CS[C@H](C(=O)[O-])[C@H]1c1ccc(C#N)cc1 ZINC000826782629 799493603 /nfs/dbraw/zinc/49/36/03/799493603.db2.gz IIEHXSYLHXNBTJ-KGLIPLIRSA-N -1 0 318.398 2.426 50 30 DEEARM COc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000071846862 191031603 /nfs/dbraw/zinc/03/16/03/191031603.db2.gz VJJBIUXGWLZDSJ-NEPJUHHUSA-N -1 0 300.314 2.172 50 30 DEEARM C#Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000014898614 181974333 /nfs/dbraw/zinc/97/43/33/181974333.db2.gz JKERYVIICWKDIW-UHFFFAOYSA-N -1 0 315.350 2.475 50 30 DEEARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1 ZINC000158440326 197272185 /nfs/dbraw/zinc/27/21/85/197272185.db2.gz LSSIZZSAGQIPOV-UHFFFAOYSA-N -1 0 315.354 2.347 50 30 DEEARM N#CC(C(=O)NC[C@H]1CCCO1)=C([O-])c1cccc2ccccc21 ZINC000103502329 224556386 /nfs/dbraw/zinc/55/63/86/224556386.db2.gz OTTPRRXQDFVHFK-PBHICJAKSA-N -1 0 322.364 2.457 50 30 DEEARM Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000000036573 401687511 /nfs/dbraw/zinc/68/75/11/401687511.db2.gz QPPIHGNVNIMMFK-UFWORHAWSA-N -1 0 309.329 2.266 50 30 DEEARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C#N)cc1 ZINC000002585720 401715220 /nfs/dbraw/zinc/71/52/20/401715220.db2.gz KYTVJAPQGCMSCU-UHFFFAOYSA-N -1 0 315.354 2.377 50 30 DEEARM CS(=O)(=O)[N-]C(=O)CCc1cc(Br)cs1 ZINC000078657716 401860849 /nfs/dbraw/zinc/86/08/49/401860849.db2.gz FXFUXCOTRZAGQZ-UHFFFAOYSA-N -1 0 312.210 2.359 50 30 DEEARM CC(C)c1cc(C(=O)[N-]S(=O)(=O)CC2CCCC2)n(C)n1 ZINC000096446431 402088586 /nfs/dbraw/zinc/08/85/86/402088586.db2.gz UXPDNYYBIXJSBV-UHFFFAOYSA-N -1 0 313.423 2.368 50 30 DEEARM Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097114575 402109232 /nfs/dbraw/zinc/10/92/32/402109232.db2.gz PMOOKCXRULRXEP-UHFFFAOYSA-N -1 0 320.692 2.416 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c(Cl)c1 ZINC000097140408 402110149 /nfs/dbraw/zinc/11/01/49/402110149.db2.gz NBMAAUIBNAGJBH-UHFFFAOYSA-N -1 0 324.749 2.273 50 30 DEEARM COc1cc(/C=C\C(=O)c2c([O-])cc(C)oc2=O)ccc1O ZINC000103620442 402192589 /nfs/dbraw/zinc/19/25/89/402192589.db2.gz LRCLIDIMQAJTGZ-XQRVVYSFSA-N -1 0 302.282 2.264 50 30 DEEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)SC)cc1 ZINC000048452752 424834054 /nfs/dbraw/zinc/83/40/54/424834054.db2.gz YBKVKKCJHRFORX-VIFPVBQESA-N -1 0 303.405 2.482 50 30 DEEARM Cc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)C(=O)N2C ZINC000100734925 301875642 /nfs/dbraw/zinc/87/56/42/301875642.db2.gz RWKIJCOZTXCESG-XDJHFCHBSA-N -1 0 309.325 2.486 50 30 DEEARM C#Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000024346867 518367332 /nfs/dbraw/zinc/36/73/32/518367332.db2.gz OAQITYBCVDOAMW-UHFFFAOYSA-N -1 0 319.313 2.306 50 30 DEEARM O=c1[n-]c(NN=Cc2ccccc2O)nnc1-c1ccccc1 ZINC000004158751 181079875 /nfs/dbraw/zinc/07/98/75/181079875.db2.gz MLDYFLBWMPPUJA-LICLKQGHSA-N -1 0 307.313 2.396 50 30 DEEARM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C)c1)c1ccccc1 ZINC000195577088 356258814 /nfs/dbraw/zinc/25/88/14/356258814.db2.gz POWYQOHPCHVKNC-LSDHHAIUSA-N -1 0 310.357 2.010 50 30 DEEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000091737235 193098829 /nfs/dbraw/zinc/09/88/29/193098829.db2.gz IPHAGPMPUPUMNW-KRWDZBQOSA-N -1 0 313.357 2.446 50 30 DEEARM Cc1[nH]nc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1C#N ZINC000097376404 193713176 /nfs/dbraw/zinc/71/31/76/193713176.db2.gz LRVZYXBMVOTABG-JTQLQIEISA-N -1 0 304.375 2.135 50 30 DEEARM N#CC(C(=O)c1cc(C2CC2)[nH]n1)=C([O-])c1ccc2c(c1)OCO2 ZINC000103503237 224557223 /nfs/dbraw/zinc/55/72/23/224557223.db2.gz NOVHOXCEGKFXCM-NSHDSACASA-N -1 0 323.308 2.221 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCO2 ZINC000000079336 401687842 /nfs/dbraw/zinc/68/78/42/401687842.db2.gz LIBAHECQDPGWEQ-UHFFFAOYSA-N -1 0 319.342 2.037 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000096007288 402046575 /nfs/dbraw/zinc/04/65/75/402046575.db2.gz TYRWETYVHAGRBE-UHFFFAOYSA-N -1 0 321.289 2.406 50 30 DEEARM C=C(C)CN(CC)C(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000069514776 402228231 /nfs/dbraw/zinc/22/82/31/402228231.db2.gz GFKYAAPEWQIIRD-UHFFFAOYSA-N -1 0 310.419 2.405 50 30 DEEARM CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)C1=N[O-] ZINC000252605357 402658873 /nfs/dbraw/zinc/65/88/73/402658873.db2.gz GJOIQDZMZMNMLX-UHFFFAOYSA-N -1 0 316.195 2.166 50 30 DEEARM COc1ccccc1OCCN1c2ccccc2C(=N[O-])C1=O ZINC000252458387 402653456 /nfs/dbraw/zinc/65/34/56/402653456.db2.gz DZBSTLXJPVCBPD-UHFFFAOYSA-N -1 0 312.325 2.299 50 30 DEEARM N#CC(C(=O)NC[C@H]1CCCO1)=C([O-])c1cccc2ccccc21 ZINC000103502326 424848754 /nfs/dbraw/zinc/84/87/54/424848754.db2.gz OTTPRRXQDFVHFK-RHSMWYFYSA-N -1 0 322.364 2.457 50 30 DEEARM CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000110516920 424851524 /nfs/dbraw/zinc/85/15/24/424851524.db2.gz AZTGECICMILNBR-CXOKCQFOSA-N -1 0 300.310 2.314 50 30 DEEARM Cc1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1C#N ZINC000262437575 302554894 /nfs/dbraw/zinc/55/48/94/302554894.db2.gz GMBULFFHTLCWQR-UGFHNGPFSA-N -1 0 313.357 2.120 50 30 DEEARM COC(=O)COc1ccc(/C(Cc2ccccc2)=N/[O-])c(O)c1 ZINC000020762781 523220536 /nfs/dbraw/zinc/22/05/36/523220536.db2.gz PADOFWZCJJWGAS-OBGWFSINSA-N -1 0 315.325 2.365 50 30 biogenic DEEARM N#Cc1cnccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000585128430 790322558 /nfs/dbraw/zinc/32/25/58/790322558.db2.gz BBMMIFPOOCWMCZ-UHFFFAOYSA-N -1 0 313.382 2.055 50 30 DEEARM C#CCCC1(CCC(=O)N2CCC[C@@H](CC(=O)[O-])CC2)N=N1 ZINC000952876387 792791651 /nfs/dbraw/zinc/79/16/51/792791651.db2.gz OTODAZBARFFVCJ-CYBMUJFWSA-N -1 0 305.378 2.446 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cn1 ZINC000095447432 185367945 /nfs/dbraw/zinc/36/79/45/185367945.db2.gz BZMSADOHPFYOKB-UHFFFAOYSA-N -1 0 310.338 2.302 50 30 DEEARM CN(C)c1ccc(C(=O)[N-]S(=O)(=O)CC2CCC2)c(F)c1 ZINC000095438216 529774898 /nfs/dbraw/zinc/77/48/98/529774898.db2.gz GVZJQWYUEHZFIA-UHFFFAOYSA-N -1 0 314.382 2.326 50 30 DEEARM CCN(CC)S(=O)(=O)[N-]C(=O)c1cccc2c1ccn2C ZINC000077942554 539364957 /nfs/dbraw/zinc/36/49/57/539364957.db2.gz SMVVXQCVLAYZPG-UHFFFAOYSA-N -1 0 309.391 2.070 50 30 DEEARM CC(=O)Nc1nc(C([O-])=C(C#N)c2ccc(F)cn2)cs1 ZINC000076094847 355125618 /nfs/dbraw/zinc/12/56/18/355125618.db2.gz OXSMSHRIMXKBNP-SECBINFHSA-N -1 0 304.306 2.126 50 30 DEEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2ccc(F)cc2)C1=O ZINC000005902746 181294161 /nfs/dbraw/zinc/29/41/61/181294161.db2.gz HNRWLNCDCIGMLG-OUKQBFOZSA-N -1 0 317.320 2.166 50 30 DEEARM O=C([O-])COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000006210372 181319842 /nfs/dbraw/zinc/31/98/42/181319842.db2.gz TUHJUZJVZIVRCS-RQZCQDPDSA-N -1 0 310.313 2.472 50 30 DEEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000067480646 184469291 /nfs/dbraw/zinc/46/92/91/184469291.db2.gz BDJWZVWHVBMIAP-GFCCVEGCSA-N -1 0 316.357 2.229 50 30 DEEARM C[C@H](Oc1cccc(C#N)c1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000067480645 184469392 /nfs/dbraw/zinc/46/93/92/184469392.db2.gz BDJWZVWHVBMIAP-LBPRGKRZSA-N -1 0 316.357 2.229 50 30 DEEARM COc1cc(-c2[nH]c(=S)[nH]c(=O)c2C#N)cc(OC)c1OC ZINC000003017210 401720894 /nfs/dbraw/zinc/72/08/94/401720894.db2.gz AOHKUUQSJVQOEE-UHFFFAOYSA-N -1 0 319.342 2.409 50 30 DEEARM C=CCOc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000013943573 401805287 /nfs/dbraw/zinc/80/52/87/401805287.db2.gz ZCDKTFMNLONICB-VOTSOKGWSA-N -1 0 315.285 2.119 50 30 DEEARM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnccc1N(C)C ZINC000077966227 401837630 /nfs/dbraw/zinc/83/76/30/401837630.db2.gz ZYIHJNQXQNBJJH-UHFFFAOYSA-N -1 0 316.386 2.129 50 30 DEEARM Cc1cccc(CSCC(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000026275794 401840023 /nfs/dbraw/zinc/84/00/23/401840023.db2.gz IMVDIHFADYCLNG-UHFFFAOYSA-N -1 0 311.370 2.333 50 30 DEEARM Cn1cc(S(=O)(=O)[N-]C(=O)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000048648413 402005017 /nfs/dbraw/zinc/00/50/17/402005017.db2.gz MKLQPWHMBPPEQV-UHFFFAOYSA-N -1 0 323.418 2.282 50 30 DEEARM CC(C)[C@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000100217943 402140372 /nfs/dbraw/zinc/14/03/72/402140372.db2.gz OIPYTSUOFLTABO-NSHDSACASA-N -1 0 307.733 2.215 50 30 DEEARM CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000069896057 402249978 /nfs/dbraw/zinc/24/99/78/402249978.db2.gz IMVXWWHBNKQFBE-JTQLQIEISA-N -1 0 321.420 2.143 50 30 DEEARM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(C)c1O ZINC000105640152 402209272 /nfs/dbraw/zinc/20/92/72/402209272.db2.gz SUYAEGIMQJUTEY-FOSCPCJNSA-N -1 0 300.310 2.237 50 30 DEEARM CCOc1ccc(N=C2S[C@@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000252590814 402658959 /nfs/dbraw/zinc/65/89/59/402658959.db2.gz AVHYRQUXPPPFMH-LLVKDONJSA-N -1 0 308.359 2.121 50 30 DEEARM N#C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000244795552 225217734 /nfs/dbraw/zinc/21/77/34/225217734.db2.gz RIKYAEQMWGGFMB-JTQLQIEISA-N -1 0 321.764 2.212 50 30 DEEARM COc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000103503512 424848663 /nfs/dbraw/zinc/84/86/63/424848663.db2.gz WCMHCDPRDWWVQC-MRXNPFEDSA-N -1 0 308.337 2.334 50 30 DEEARM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)OCO2 ZINC000103503846 424848725 /nfs/dbraw/zinc/84/87/25/424848725.db2.gz AZGMOZLRTYBZKQ-CYBMUJFWSA-N -1 0 314.341 2.187 50 30 DEEARM C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000004028984 277891396 /nfs/dbraw/zinc/89/13/96/277891396.db2.gz CVIIEVKDNDVREO-KAYRBKQESA-N -1 0 311.337 2.002 50 30 biogenic DEEARM C#CCCC1(CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)N=N1 ZINC000952876267 792792187 /nfs/dbraw/zinc/79/21/87/792792187.db2.gz JDAOIHWMNXZHHA-WFASDCNBSA-N -1 0 303.362 2.055 50 30 DEEARM CNC(=S)N/N=C/c1ccc(-c2cc(C(=O)[O-])ccc2C)o1 ZINC000000559125 180821594 /nfs/dbraw/zinc/82/15/94/180821594.db2.gz LUVYEMGKEDEFHU-CAOOACKPSA-N -1 0 317.370 2.381 50 30 DEEARM NC(=S)N/N=C/c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000004739647 181145295 /nfs/dbraw/zinc/14/52/95/181145295.db2.gz ZVWAWSPWVCDCIL-OMCISZLKSA-N -1 0 323.761 2.465 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)cnc1Cl ZINC000076068413 355123402 /nfs/dbraw/zinc/12/34/02/355123402.db2.gz HPYTUYWUJHZVTB-UHFFFAOYSA-N -1 0 308.750 2.111 50 30 DEEARM N#Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000194610215 201262811 /nfs/dbraw/zinc/26/28/11/201262811.db2.gz SXYKPUSHQXAOMF-UHFFFAOYSA-N -1 0 321.289 2.406 50 30 DEEARM C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(C)(C)CC(=O)[O-] ZINC000015746057 182015017 /nfs/dbraw/zinc/01/50/17/182015017.db2.gz IVODMBWUGZWICB-RVDMUPIBSA-N -1 0 312.391 2.150 50 30 DEEARM CC(=O)Nc1n[n-]c(S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000021356933 256529628 /nfs/dbraw/zinc/52/96/28/256529628.db2.gz RGHQPGUWERLJOS-UHFFFAOYSA-N -1 0 314.754 2.040 50 30 DEEARM COc1ccc(CNC(=O)C2(C#N)CCCC2)cc1C(=O)[O-] ZINC000237275610 533576976 /nfs/dbraw/zinc/57/69/76/533576976.db2.gz OQCDDUUZCMVKNA-UHFFFAOYSA-N -1 0 302.330 2.094 50 30 DEEARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1 ZINC000000206680 292025707 /nfs/dbraw/zinc/02/57/07/292025707.db2.gz IGMUUIUQRRIODP-UHFFFAOYSA-N -1 0 319.338 2.167 50 30 DEEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000000147996 401688501 /nfs/dbraw/zinc/68/85/01/401688501.db2.gz QJANMRDJLQDLIP-UHFFFAOYSA-N -1 0 314.322 2.029 50 30 DEEARM N#Cc1ccc(C[C@@H](C(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000001406326 401706487 /nfs/dbraw/zinc/70/64/87/401706487.db2.gz PCNFQVOLAQTFOU-INIZCTEOSA-N -1 0 306.321 2.210 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2noc(-c3ccoc3)n2)cc1 ZINC000096004200 402045631 /nfs/dbraw/zinc/04/56/31/402045631.db2.gz AHZIRNINBPFZRD-UHFFFAOYSA-N -1 0 316.298 2.002 50 30 DEEARM Cc1cc(Br)ccc1CC(=O)[N-]S(C)(=O)=O ZINC000097141028 402111132 /nfs/dbraw/zinc/11/11/32/402111132.db2.gz ZVRMODMNHQLFPM-UHFFFAOYSA-N -1 0 306.181 2.216 50 30 DEEARM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000097164899 402114030 /nfs/dbraw/zinc/11/40/30/402114030.db2.gz RXBIRCJWRZJFLA-UHFFFAOYSA-N -1 0 304.375 2.311 50 30 DEEARM N#CCc1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000071802079 402279798 /nfs/dbraw/zinc/27/97/98/402279798.db2.gz LEMYEHVVDVZNLY-UHFFFAOYSA-N -1 0 316.357 2.035 50 30 DEEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)SC)cc1 ZINC000048452750 424833724 /nfs/dbraw/zinc/83/37/24/424833724.db2.gz YBKVKKCJHRFORX-SECBINFHSA-N -1 0 303.405 2.482 50 30 DEEARM C=CCN1C(=O)[N-]C(=O)/C(=C\c2c(C)[nH]c3ccccc32)C1=O ZINC000002837372 333402175 /nfs/dbraw/zinc/40/21/75/333402175.db2.gz HOQXHTSXSAWSNF-UKTHLTGXSA-N -1 0 309.325 2.124 50 30 DEEARM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245339285 534257558 /nfs/dbraw/zinc/25/75/58/534257558.db2.gz RSOWCDUGAPNPCV-NHAGDIPZSA-N -1 0 318.398 2.108 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)COC2CCCC2)c1 ZINC000058187330 526243442 /nfs/dbraw/zinc/24/34/42/526243442.db2.gz JWWCUSXAXUTHIH-UHFFFAOYSA-N -1 0 313.375 2.300 50 30 DEEARM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000585079573 789677503 /nfs/dbraw/zinc/67/75/03/789677503.db2.gz HHAXDKWFLSAQHW-RMKNXTFCSA-N -1 0 324.789 2.373 50 30 DEEARM C#CCCC1(CCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)N=N1 ZINC000952881492 792796197 /nfs/dbraw/zinc/79/61/97/792796197.db2.gz OQRDGAFWPFKBGV-GFCCVEGCSA-N -1 0 303.362 2.055 50 30 DEEARM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000095412890 185357905 /nfs/dbraw/zinc/35/79/05/185357905.db2.gz LIMMJYNSWLHJMV-UHFFFAOYSA-N -1 0 320.349 2.325 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cccc(OC2CCCCC2)c1 ZINC000102740681 529893656 /nfs/dbraw/zinc/89/36/56/529893656.db2.gz LGWRJYQMKJEESB-HNNXBMFYSA-N -1 0 300.358 2.467 50 30 DEEARM Cc1ccc(S(=O)([O-])=NC(=O)NC2CCCCC2)cc1N ZINC000003831047 181047654 /nfs/dbraw/zinc/04/76/54/181047654.db2.gz XXYTXQGCRQLRHA-UHFFFAOYSA-N -1 0 311.407 2.102 50 30 in-man DEEARM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C\c1cnnn1C ZINC000606445653 361009111 /nfs/dbraw/zinc/00/91/11/361009111.db2.gz YLXQBCKWJUJCHR-WAYWQWQTSA-N -1 0 315.329 2.197 50 30 DEEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccccc2)C(=O)CC1(C)C ZINC000100318922 291808373 /nfs/dbraw/zinc/80/83/73/291808373.db2.gz NEUPJYPNCIZVOQ-IEZBTEQYSA-N -1 0 301.342 2.340 50 30 DEEARM O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1ccsc1 ZINC000071859323 184872268 /nfs/dbraw/zinc/87/22/68/184872268.db2.gz VWYNGWUXEQBRTK-UHFFFAOYSA-N -1 0 308.384 2.360 50 30 DEEARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000071892473 184890565 /nfs/dbraw/zinc/89/05/65/184890565.db2.gz NMSFFWFNAAOVTJ-SNVBAGLBSA-N -1 0 319.329 2.168 50 30 DEEARM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccco2)cc1 ZINC000000549751 401701203 /nfs/dbraw/zinc/70/12/03/401701203.db2.gz SLBSDFMMESYBCJ-OVCLIPMQSA-N -1 0 314.326 2.407 50 30 DEEARM C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])NC(=O)c1ccccc1 ZINC000072311692 401709445 /nfs/dbraw/zinc/70/94/45/401709445.db2.gz XVRFTAGGARARQD-GFCCVEGCSA-N -1 0 323.352 2.411 50 30 DEEARM CN(CC(=O)[N-]S(=O)(=O)C1CCCC1)Cc1ccccc1 ZINC000089982074 401977561 /nfs/dbraw/zinc/97/75/61/401977561.db2.gz ZXQZTYJVRQEHKE-UHFFFAOYSA-N -1 0 310.419 2.347 50 30 DEEARM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(CC)c2)cc1 ZINC000096453136 402090888 /nfs/dbraw/zinc/09/08/88/402090888.db2.gz RCDNQSZPIJHMGQ-UHFFFAOYSA-N -1 0 307.375 2.159 50 30 DEEARM CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000102786795 402172254 /nfs/dbraw/zinc/17/22/54/402172254.db2.gz SCCKSQOVKDHMOW-KXPUMZMLSA-N -1 0 300.310 2.314 50 30 DEEARM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(CCC#N)CC1CC1 ZINC000184998968 224944568 /nfs/dbraw/zinc/94/45/68/224944568.db2.gz XCDOVFWQYYENJZ-UHFFFAOYSA-N -1 0 322.386 2.008 50 30 DEEARM C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532600 424833928 /nfs/dbraw/zinc/83/39/28/424833928.db2.gz YSOBZEBVNCLLKW-LBPRGKRZSA-N -1 0 320.370 2.332 50 30 DEEARM CC1(C)Cc2c(C#N)c(NC(=O)CCC(=O)[O-])sc2CO1 ZINC000006760405 281369270 /nfs/dbraw/zinc/36/92/70/281369270.db2.gz MQTHLVGCRYALII-UHFFFAOYSA-N -1 0 308.359 2.274 50 30 DEEARM COc1ccc(CN2CCC[C@](C)(C#N)C2)cc1OCC(=O)[O-] ZINC000534631022 334307468 /nfs/dbraw/zinc/30/74/68/334307468.db2.gz FKHCPKSSOPJRFB-QGZVFWFLSA-N -1 0 318.373 2.284 50 30 DEEARM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2C)cc1 ZINC000073087226 521404950 /nfs/dbraw/zinc/40/49/50/521404950.db2.gz KNIXDPSRPUPUJO-UHFFFAOYSA-N -1 0 321.402 2.375 50 30 DEEARM CCCc1nnc([N-]S(=O)(=O)c2cccc(C)c2C#N)o1 ZINC000585129200 790327479 /nfs/dbraw/zinc/32/74/79/790327479.db2.gz BFIFATXFUDBRAJ-UHFFFAOYSA-N -1 0 306.347 2.003 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000189725 180720007 /nfs/dbraw/zinc/72/00/07/180720007.db2.gz VFMBNQBVTQINDV-UHFFFAOYSA-N -1 0 320.330 2.216 50 30 DEEARM C[C@H](CCOc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000072700689 191217733 /nfs/dbraw/zinc/21/77/33/191217733.db2.gz LZBMDYXUQRAWPB-LLVKDONJSA-N -1 0 309.329 2.197 50 30 DEEARM CN(C)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004421659 181108817 /nfs/dbraw/zinc/10/88/17/181108817.db2.gz CMKMJDUZLALJHH-LFIBNONCSA-N -1 0 319.386 2.445 50 30 DEEARM O=C([O-])CCN(/N=C1\C(=O)Nc2ccccc21)c1ccccc1 ZINC000004693664 181138059 /nfs/dbraw/zinc/13/80/59/181138059.db2.gz JBSRGGBSYYNDGY-UHFFFAOYSA-N -1 0 309.325 2.324 50 30 DEEARM C#CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1NCC ZINC000585135800 357337122 /nfs/dbraw/zinc/33/71/22/357337122.db2.gz CARQDGWMKKINGU-UHFFFAOYSA-N -1 0 308.403 2.117 50 30 DEEARM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C\c1cn(C)nn1 ZINC000606445357 361009709 /nfs/dbraw/zinc/00/97/09/361009709.db2.gz LQGAMJYPNATMSZ-WAYWQWQTSA-N -1 0 315.329 2.197 50 30 DEEARM COc1ccc(C#N)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000064611664 184301909 /nfs/dbraw/zinc/30/19/09/184301909.db2.gz VJJBIUXGWLZDSJ-NWDGAFQWSA-N -1 0 300.314 2.172 50 30 DEEARM COc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(C(C)C)c2)c1 ZINC000003251892 401723614 /nfs/dbraw/zinc/72/36/14/401723614.db2.gz KCGVWPKFYFJKFZ-UHFFFAOYSA-N -1 0 312.325 2.246 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1 ZINC000000087874 401687893 /nfs/dbraw/zinc/68/78/93/401687893.db2.gz KVJWYSYJYQHASM-UHFFFAOYSA-N -1 0 320.330 2.216 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1OC ZINC000000172739 401688988 /nfs/dbraw/zinc/68/89/88/401688988.db2.gz IVPUEDAJMCPDQP-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM C=CCn1c(=O)c2ccc(C(=O)N3CCCC3)cc2[n-]c1=S ZINC000000211067 401690706 /nfs/dbraw/zinc/69/07/06/401690706.db2.gz AWTRIPYHVDEZPH-UHFFFAOYSA-N -1 0 315.398 2.481 50 30 DEEARM CCOC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000000353229 401695225 /nfs/dbraw/zinc/69/52/25/401695225.db2.gz XXDPYJIHUCJSEF-UHFFFAOYSA-N -1 0 315.354 2.376 50 30 DEEARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000014010020 401805833 /nfs/dbraw/zinc/80/58/33/401805833.db2.gz IYQNLRGHTMLACP-NVNXTCNLSA-N -1 0 306.325 2.146 50 30 DEEARM C[C@H](Oc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1)C(=O)[O-] ZINC000014179387 401808123 /nfs/dbraw/zinc/80/81/23/401808123.db2.gz SVBNFYVODXLQMC-AEBAWRHJSA-N -1 0 300.314 2.168 50 30 DEEARM Cc1nc(C#N)c(-n2cc(C(=O)c3cc(C)ccc3[O-])cn2)o1 ZINC000055149278 402076578 /nfs/dbraw/zinc/07/65/78/402076578.db2.gz XNSQUSFZPNLUQA-UHFFFAOYSA-N -1 0 308.297 2.285 50 30 DEEARM CC1=CC(=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)CC(C)(C)C1 ZINC000252609512 402659655 /nfs/dbraw/zinc/65/96/55/402659655.db2.gz HTROGAJFRPSZMM-SNVBAGLBSA-N -1 0 309.391 2.171 50 30 DEEARM Cc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)s1 ZINC000026272070 264009893 /nfs/dbraw/zinc/00/98/93/264009893.db2.gz FASBKQAVVZQBSK-UHFFFAOYSA-N -1 0 313.342 2.125 50 30 DEEARM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000048535730 424834155 /nfs/dbraw/zinc/83/41/55/424834155.db2.gz SQPNJVCTWPTQBC-GXSJLCMTSA-N -1 0 311.359 2.149 50 30 DEEARM CC(C)CNC(=O)C(C#N)=C([O-])c1csc(-c2ccoc2)n1 ZINC000101022423 424846265 /nfs/dbraw/zinc/84/62/65/424846265.db2.gz VBMIZXCNGCNIOO-NSHDSACASA-N -1 0 317.370 2.498 50 30 DEEARM COc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1 ZINC000103503515 424848312 /nfs/dbraw/zinc/84/83/12/424848312.db2.gz WCMHCDPRDWWVQC-INIZCTEOSA-N -1 0 308.337 2.334 50 30 DEEARM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000103503818 424848438 /nfs/dbraw/zinc/84/84/38/424848438.db2.gz GHHJWWDRTLFSKC-OAHLLOKOSA-N -1 0 300.358 2.467 50 30 DEEARM C#CCCC1(CCC(=O)N2CCC[C@H](CC(=O)[O-])CC2)N=N1 ZINC000952876388 792791707 /nfs/dbraw/zinc/79/17/07/792791707.db2.gz OTODAZBARFFVCJ-ZDUSSCGKSA-N -1 0 305.378 2.446 50 30 DEEARM COc1ccc(NC(=O)N=S(=O)([O-])c2ccccc2)cc1 ZINC000071769446 191030367 /nfs/dbraw/zinc/03/03/67/191030367.db2.gz RYQCLXREICABOJ-UHFFFAOYSA-N -1 0 306.343 2.410 50 30 DEEARM Oc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c(O)c1 ZINC000004587307 181127301 /nfs/dbraw/zinc/12/73/01/181127301.db2.gz ZDHSYHSEPCFVOE-CAOOACKPSA-N -1 0 320.312 2.363 50 30 DEEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)NCCCCCC)C1=O ZINC000006187044 181318141 /nfs/dbraw/zinc/31/81/41/181318141.db2.gz NYKJWVGDCHPPDT-OUKQBFOZSA-N -1 0 307.394 2.085 50 30 DEEARM N#CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000016481098 182046890 /nfs/dbraw/zinc/04/68/90/182046890.db2.gz CTMYZUVBGOZXLS-UONOGXRCSA-N -1 0 300.314 2.194 50 30 DEEARM C[C@@H](Oc1ccccc1C(=O)[O-])C(=O)NC1(C#N)CCCCC1 ZINC000013410692 296209678 /nfs/dbraw/zinc/20/96/78/296209678.db2.gz NWWFXWKOIWMBQM-GFCCVEGCSA-N -1 0 316.357 2.495 50 30 DEEARM Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000046015554 183543411 /nfs/dbraw/zinc/54/34/11/183543411.db2.gz SYJLPCSIPXWUTH-UHFFFAOYSA-N -1 0 316.338 2.366 50 30 DEEARM C#Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000000453824 401698426 /nfs/dbraw/zinc/69/84/26/401698426.db2.gz VITFOHQHEIFYAC-UHFFFAOYSA-N -1 0 302.311 2.377 50 30 DEEARM O=C(N=S(=O)([O-])c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000001703435 401709861 /nfs/dbraw/zinc/70/98/61/401709861.db2.gz ATVMLALNRDJPQK-UHFFFAOYSA-N -1 0 321.314 2.310 50 30 DEEARM C=C(Cl)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013237478 401798255 /nfs/dbraw/zinc/79/82/55/401798255.db2.gz QWJCIGZSSKWEAU-CYBMUJFWSA-N -1 0 321.764 2.215 50 30 DEEARM N#CC1(NC(=O)COc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000013412990 401799600 /nfs/dbraw/zinc/79/96/00/401799600.db2.gz CIWXDMODNFNNRL-UHFFFAOYSA-N -1 0 302.330 2.106 50 30 DEEARM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[N-]S(C)(=O)=O ZINC000066229801 402129618 /nfs/dbraw/zinc/12/96/18/402129618.db2.gz UMHUAPMFYNWRDO-ZETCQYMHSA-N -1 0 311.281 2.389 50 30 DEEARM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000067000950 402149989 /nfs/dbraw/zinc/14/99/89/402149989.db2.gz UCXQIHLTNKVEAW-QMMMGPOBSA-N -1 0 318.376 2.239 50 30 DEEARM N#C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000244795553 534748004 /nfs/dbraw/zinc/74/80/04/534748004.db2.gz RIKYAEQMWGGFMB-SNVBAGLBSA-N -1 0 321.764 2.212 50 30 DEEARM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)c1 ZINC000048600616 526729729 /nfs/dbraw/zinc/72/97/29/526729729.db2.gz KOBLQTHYVDTWSN-UHFFFAOYSA-N -1 0 304.327 2.429 50 30 DEEARM Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)cn1 ZINC000058265827 527282536 /nfs/dbraw/zinc/28/25/36/527282536.db2.gz WGGLQDZTULUDMC-UHFFFAOYSA-N -1 0 307.375 2.043 50 30 DEEARM Cc1nc(N(C)CC[C@H]2CCCCO2)c(C#N)cc1C(=O)[O-] ZINC001529120169 1070867991 /nfs/dbraw/zinc/86/79/91/1070867991.db2.gz VTOAUNVRMRUNHI-CYBMUJFWSA-N -1 0 303.362 2.355 50 30 DEEARM CC(C)(C)S(=O)(=O)/C(C#N)=N/[N-]c1ccc([N+](=O)[O-])cc1 ZINC000004001864 181061577 /nfs/dbraw/zinc/06/15/77/181061577.db2.gz XGAXIKJTDMNRSE-RVDMUPIBSA-N -1 0 310.335 2.057 50 30 DEEARM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)ncn2C ZINC000096494976 193671073 /nfs/dbraw/zinc/67/10/73/193671073.db2.gz AIUGAQMFGPTFPE-UHFFFAOYSA-N -1 0 309.391 2.396 50 30 DEEARM N#CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000016481102 182046691 /nfs/dbraw/zinc/04/66/91/182046691.db2.gz CTMYZUVBGOZXLS-ZIAGYGMSSA-N -1 0 300.314 2.194 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000050204723 183777784 /nfs/dbraw/zinc/77/77/84/183777784.db2.gz BXHMAWKIMXSQAW-VHSXEESVSA-N -1 0 318.192 2.469 50 30 DEEARM O=C([O-])c1ccc(N=NC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000064305840 184293758 /nfs/dbraw/zinc/29/37/58/184293758.db2.gz GGEOTIXFFXKRGF-UHFFFAOYSA-N -1 0 301.346 2.185 50 30 DEEARM CCOc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000003543705 224485431 /nfs/dbraw/zinc/48/54/31/224485431.db2.gz KQCWJLMIWZLNTL-FDMDGMSGSA-N -1 0 300.310 2.314 50 30 DEEARM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000120984767 195276376 /nfs/dbraw/zinc/27/63/76/195276376.db2.gz MILMNGIQSSTMDB-UHFFFAOYSA-N -1 0 316.386 2.129 50 30 DEEARM Cc1cccc(/C=N/NC(=S)Nc2cccc(C(=O)[O-])c2)n1 ZINC000000126388 401688367 /nfs/dbraw/zinc/68/83/67/401688367.db2.gz MOIHIOXSQNXLME-CXUHLZMHSA-N -1 0 314.370 2.409 50 30 DEEARM COC(=O)c1ccc(CCC(=O)[N-]S(=O)(=O)C(C)C)cc1 ZINC000078773270 401865192 /nfs/dbraw/zinc/86/51/92/401865192.db2.gz SJIVFGCWHUZSOU-UHFFFAOYSA-N -1 0 313.375 2.101 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000084384048 401905436 /nfs/dbraw/zinc/90/54/36/401905436.db2.gz VPDONAHIJYIKLE-UHFFFAOYSA-N -1 0 316.264 2.101 50 30 DEEARM C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000096416166 402080908 /nfs/dbraw/zinc/08/09/08/402080908.db2.gz ZEPAWVYWBBADFW-LLVKDONJSA-N -1 0 314.382 2.301 50 30 DEEARM O=C(CCc1ccc2[nH]ccc2c1)[N-]S(=O)(=O)N1CCCC1 ZINC000096493293 402096498 /nfs/dbraw/zinc/09/64/98/402096498.db2.gz HWBKEHPNWOJSJP-UHFFFAOYSA-N -1 0 321.402 2.398 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cn1 ZINC000101856413 402156110 /nfs/dbraw/zinc/15/61/10/402156110.db2.gz DWJMKPREKRALNB-UHFFFAOYSA-N -1 0 310.338 2.302 50 30 DEEARM CCOC(=O)c1c(C)[nH]c(C([O-])=C(C#N)C(=O)C2CC2)c1C ZINC000103264380 424848652 /nfs/dbraw/zinc/84/86/52/424848652.db2.gz ZEDQQWGBZYPDPJ-NSHDSACASA-N -1 0 302.330 2.110 50 30 DEEARM CC1(C)Cc2c(C#N)c(NC(=O)/C=C/C(=O)[O-])sc2CO1 ZINC000004805589 281369302 /nfs/dbraw/zinc/36/93/02/281369302.db2.gz UHBDCQFNSGGMEE-ONEGZZNKSA-N -1 0 306.343 2.050 50 30 DEEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CC[C@H]1CCCO1 ZINC000048507287 534814661 /nfs/dbraw/zinc/81/46/61/534814661.db2.gz LVNLHCYLZKIRGV-CQSZACIVSA-N -1 0 322.386 2.304 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)CCOCC(C)C)c1 ZINC000058187722 526243343 /nfs/dbraw/zinc/24/33/43/526243343.db2.gz ZBDPKPILWGGOFV-UHFFFAOYSA-N -1 0 315.391 2.403 50 30 DEEARM Cc1cc(C)nc(N=NCc2ccccc2OCC(=O)[O-])n1 ZINC000254875454 636345466 /nfs/dbraw/zinc/34/54/66/636345466.db2.gz VWZVHKPSQDPDMR-UHFFFAOYSA-N -1 0 300.318 2.003 50 30 DEEARM C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)[O-] ZINC000072328134 191123112 /nfs/dbraw/zinc/12/31/12/191123112.db2.gz RHLXYVDAJUMPIX-UHFFFAOYSA-N -1 0 319.386 2.240 50 30 DEEARM O=[N+]([O-])c1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1 ZINC000005633583 181266888 /nfs/dbraw/zinc/26/68/88/181266888.db2.gz OPJYFYUOWDDIBD-LHHJGKSTSA-N -1 0 317.252 2.376 50 30 DEEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccnn2CCC)C1 ZINC000092065363 193150214 /nfs/dbraw/zinc/15/02/14/193150214.db2.gz YMBMWJQPOQWFPN-MRXNPFEDSA-N -1 0 305.378 2.176 50 30 DEEARM CCCC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)[O-] ZINC000004687035 257266032 /nfs/dbraw/zinc/26/60/32/257266032.db2.gz LDIRHMPPDZILID-LBPRGKRZSA-N -1 0 323.414 2.244 50 30 DEEARM Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000000443940 401698139 /nfs/dbraw/zinc/69/81/39/401698139.db2.gz WUKMQXRMGZTKNP-MHWRWJLKSA-N -1 0 318.354 2.006 50 30 DEEARM Cc1nc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1C#N ZINC000072277020 401706185 /nfs/dbraw/zinc/70/61/85/401706185.db2.gz IMWMIURJYKGOEG-GFCCVEGCSA-N -1 0 315.354 2.269 50 30 DEEARM N#Cc1ccc(C[C@H](C(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000001406328 401706450 /nfs/dbraw/zinc/70/64/50/401706450.db2.gz PCNFQVOLAQTFOU-MRXNPFEDSA-N -1 0 306.321 2.210 50 30 DEEARM C[C@H](Oc1ccccc1C(=O)[O-])C(=O)NC1(C#N)CCCCC1 ZINC000013410696 401799198 /nfs/dbraw/zinc/79/91/98/401799198.db2.gz NWWFXWKOIWMBQM-LBPRGKRZSA-N -1 0 316.357 2.495 50 30 DEEARM Cn1cc(C(=O)/C=C/C(=O)[O-])cc1C(=O)C(Cl)(Cl)Cl ZINC000002508549 302905050 /nfs/dbraw/zinc/90/50/50/302905050.db2.gz CPNAEUJYAGZMKE-NSCUHMNNSA-N -1 0 324.547 2.402 50 30 DEEARM O=C(C=C([O-])c1ccccc1)C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000015082441 527592201 /nfs/dbraw/zinc/59/22/01/527592201.db2.gz MHAAUNPAGNNOIK-FJJYYWMZSA-N -1 0 309.321 2.385 50 30 DEEARM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(C)c1O ZINC000102500276 684057340 /nfs/dbraw/zinc/05/73/40/684057340.db2.gz SUYAEGIMQJUTEY-RGDDUWESSA-N -1 0 300.310 2.237 50 30 DEEARM COc1ccc(C)cc1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000084131340 539393168 /nfs/dbraw/zinc/39/31/68/539393168.db2.gz ARXLRIUYVGAPHI-UHFFFAOYSA-N -1 0 324.358 2.302 50 30 DEEARM N#CCCn1cc(/C=C/C(=O)[O-])c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000003355981 181011285 /nfs/dbraw/zinc/01/12/85/181011285.db2.gz ULYRXSMZHVVHIE-AATRIKPKSA-N -1 0 312.285 2.470 50 30 DEEARM C=CCNc1ccc2c3c1cccc3C(=O)N(CC(=O)[O-])C2=O ZINC000004117538 181075499 /nfs/dbraw/zinc/07/54/99/181075499.db2.gz YMOYTZPWITWDRQ-UHFFFAOYSA-N -1 0 310.309 2.118 50 30 DEEARM CC(=NNc1nc2ccccc2c(=O)n1[O-])c1ccc(O)cc1 ZINC000005399398 181239474 /nfs/dbraw/zinc/23/94/74/181239474.db2.gz CJGNDPVEGOIYLA-VCHYOVAHSA-N -1 0 310.313 2.176 50 30 DEEARM Cc1cccc(CN2CCCC[C@@H]2C(=O)[N-]S(C)(=O)=O)c1 ZINC000095943111 402035016 /nfs/dbraw/zinc/03/50/16/402035016.db2.gz GLSWBAXCFPXDRJ-CQSZACIVSA-N -1 0 310.419 2.266 50 30 DEEARM COc1ccccc1OCC[N+]1c2ccccc2C(=N[O-])C1=O ZINC000343516878 403619564 /nfs/dbraw/zinc/61/95/64/403619564.db2.gz HVRIJWCLJPTOSJ-UHFFFAOYSA-N -1 0 312.325 2.264 50 30 DEEARM N#CC(C(=O)N(CC(F)(F)F)C1CC1)=C([O-])c1ccoc1 ZINC000101093456 303165990 /nfs/dbraw/zinc/16/59/90/303165990.db2.gz SUWPJEOZYXQQSM-SNVBAGLBSA-N -1 0 300.236 2.155 50 30 DEEARM Cn1cccc1C(=O)[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000095407458 684052811 /nfs/dbraw/zinc/05/28/11/684052811.db2.gz YBLJNKPHBJXLBC-CSKARUKUSA-N -1 0 308.334 2.470 50 30 DEEARM Cc1c(C(=O)[N-]S(C)(=O)=O)cnn1-c1ccccc1Cl ZINC000078995142 185143002 /nfs/dbraw/zinc/14/30/02/185143002.db2.gz MTQRCOHMOLYCHU-UHFFFAOYSA-N -1 0 313.766 2.098 50 30 DEEARM N#Cc1nc(NC(=O)c2ccc(Br)s2)[n-]c1C#N ZINC000079050208 185149102 /nfs/dbraw/zinc/14/91/02/185149102.db2.gz BJXQRNJPSXTZGV-UHFFFAOYSA-N -1 0 322.147 2.229 50 30 DEEARM COc1cccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1O ZINC000004952940 181178741 /nfs/dbraw/zinc/17/87/41/181178741.db2.gz VUVJBMXDOOFBEY-OQLLNIDSSA-N -1 0 322.342 2.094 50 30 DEEARM Cn1cccc1C(=O)[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000078814599 355279501 /nfs/dbraw/zinc/27/95/01/355279501.db2.gz PVNBAIVRGUTCEK-UHFFFAOYSA-N -1 0 315.354 2.267 50 30 DEEARM CCOC(=O)c1sc(NC(=O)CCCC(=O)[O-])c(C#N)c1C ZINC000005473589 181247665 /nfs/dbraw/zinc/24/76/65/181247665.db2.gz ZLUBYOWRBCTNLV-UHFFFAOYSA-N -1 0 324.358 2.298 50 30 DEEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000091737236 193098820 /nfs/dbraw/zinc/09/88/20/193098820.db2.gz IPHAGPMPUPUMNW-QGZVFWFLSA-N -1 0 313.357 2.446 50 30 DEEARM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000048459194 224499693 /nfs/dbraw/zinc/49/96/93/224499693.db2.gz NCTXPORMWSNHBA-VIFPVBQESA-N -1 0 305.302 2.179 50 30 DEEARM O=C([O-])c1ccc2c(c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])o1)C2=O ZINC000000180549 401689059 /nfs/dbraw/zinc/68/90/59/401689059.db2.gz TXWYWUABIONRHL-IZZDOVSWSA-N -1 0 313.221 2.349 50 30 DEEARM O=c1[n-]c(NN=Cc2ccccc2O)nnc1Cc1ccccc1 ZINC000009042570 401758767 /nfs/dbraw/zinc/75/87/67/401758767.db2.gz VHSWDIKYADFCEV-WOJGMQOQSA-N -1 0 321.340 2.320 50 30 DEEARM CC1=C/C(=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)CC(C)(C)C1 ZINC000018093418 401821883 /nfs/dbraw/zinc/82/18/83/401821883.db2.gz HTROGAJFRPSZMM-MQHRVFIMSA-N -1 0 309.391 2.171 50 30 DEEARM N#Cc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)[n-]c1C#N ZINC000026273149 401839872 /nfs/dbraw/zinc/83/98/72/401839872.db2.gz XBACYGHGBLZPSG-UHFFFAOYSA-N -1 0 319.246 2.353 50 30 DEEARM C[C@@H]1CSC(SCc2cc(=O)n3[n-]cc(C#N)c3n2)=N1 ZINC000089525259 401950969 /nfs/dbraw/zinc/95/09/69/401950969.db2.gz WOSDWJZIBUTXFM-SSDOTTSWSA-N -1 0 305.388 2.031 50 30 DEEARM C=C(C)COc1ccccc1C(=O)NN1CCC[C@@H](C(=O)[O-])C1 ZINC000055245567 402078153 /nfs/dbraw/zinc/07/81/53/402078153.db2.gz NAOAOUWTVXCYNE-CYBMUJFWSA-N -1 0 318.373 2.083 50 30 DEEARM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000097114321 402109445 /nfs/dbraw/zinc/10/94/45/402109445.db2.gz OQZVGMPIROUIQU-UHFFFAOYSA-N -1 0 308.750 2.111 50 30 DEEARM Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000066736477 402140590 /nfs/dbraw/zinc/14/05/90/402140590.db2.gz TWWHLSGIKLCFKR-UHFFFAOYSA-N -1 0 308.290 2.292 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccn2)cc1 ZINC000102763979 402171605 /nfs/dbraw/zinc/17/16/05/402171605.db2.gz FLUJHUYJAOLHOW-CYBMUJFWSA-N -1 0 311.366 2.301 50 30 DEEARM C=CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000105640380 402209228 /nfs/dbraw/zinc/20/92/28/402209228.db2.gz HGDPADAXSMUZLQ-ZPUOCTKUSA-N -1 0 312.321 2.480 50 30 DEEARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000048566840 424834012 /nfs/dbraw/zinc/83/40/12/424834012.db2.gz ICGOXXNPURFGSJ-QMMMGPOBSA-N -1 0 316.335 2.295 50 30 DEEARM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135845 424836082 /nfs/dbraw/zinc/83/60/82/424836082.db2.gz ZMNUDEJGDYBHEB-HZGVNTEJSA-N -1 0 319.180 2.145 50 30 DEEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)C2CCC(CO)CC2)C1 ZINC000092062312 277891673 /nfs/dbraw/zinc/89/16/73/277891673.db2.gz JGBPHDGPUDXCJY-KVULBXGLSA-N -1 0 309.406 2.055 50 30 DEEARM COc1cc(CNC(=O)C2(C#N)CCCC2)ccc1C(=O)[O-] ZINC000237334585 533832548 /nfs/dbraw/zinc/83/25/48/533832548.db2.gz CGUJPEAHFPPVNN-UHFFFAOYSA-N -1 0 302.330 2.094 50 30 DEEARM C#CCCC1(CCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)N=N1 ZINC000952876186 792791660 /nfs/dbraw/zinc/79/16/60/792791660.db2.gz FBNPPUDIRFSYAM-CQSZACIVSA-N -1 0 305.378 2.492 50 30 DEEARM C[C@@H](Oc1ccccc1C#N)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000069893507 190833933 /nfs/dbraw/zinc/83/39/33/190833933.db2.gz RCAKGTWSUMMRPP-GFCCVEGCSA-N -1 0 316.357 2.229 50 30 DEEARM Nc1nn(-c2ccccc2)c(N)c1N=Nc1ccccc1C(=O)[O-] ZINC000004477470 181112173 /nfs/dbraw/zinc/11/21/73/181112173.db2.gz SADAQIBUWOYBMJ-RQBDYEQRSA-N -1 0 322.328 2.132 50 30 DEEARM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C)c1)c1ccccc1 ZINC000195577089 356258877 /nfs/dbraw/zinc/25/88/77/356258877.db2.gz POWYQOHPCHVKNC-GJZGRUSLSA-N -1 0 310.357 2.010 50 30 DEEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000006192509 181318636 /nfs/dbraw/zinc/31/86/36/181318636.db2.gz FGXCSNSOKWFWBO-UHFFFAOYSA-N -1 0 316.382 2.403 50 30 DEEARM N#CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000016481100 182046607 /nfs/dbraw/zinc/04/66/07/182046607.db2.gz CTMYZUVBGOZXLS-KBPBESRZSA-N -1 0 300.314 2.194 50 30 DEEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000000084672 401687874 /nfs/dbraw/zinc/68/78/74/401687874.db2.gz VAKNZNUJAMJGJQ-ZDUSSCGKSA-N -1 0 323.732 2.099 50 30 DEEARM O=C(Nc1ccc(F)cc1)C(=N[O-])C(=O)Nc1ccc(F)cc1 ZINC000001410199 401707139 /nfs/dbraw/zinc/70/71/39/401707139.db2.gz DEFHOUMYKQDXJC-UHFFFAOYSA-N -1 0 319.267 2.372 50 30 DEEARM CON=C(C(=O)[O-])c1csc(N=NC(C)c2ccccc2)n1 ZINC000008995099 401758834 /nfs/dbraw/zinc/75/88/34/401758834.db2.gz LRJQYTWLTDLQHN-GKRCIGFLSA-N -1 0 318.358 2.414 50 30 DEEARM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccnc2)n1 ZINC000075572799 401762841 /nfs/dbraw/zinc/76/28/41/401762841.db2.gz CGRDOHVFUWCCAB-SNVBAGLBSA-N -1 0 301.327 2.205 50 30 DEEARM COc1ccc([C@@](C)(C#N)[N-]C(=O)C(F)(F)F)cc1OC ZINC000095348112 402025797 /nfs/dbraw/zinc/02/57/97/402025797.db2.gz BUVNFKOAIXXHHU-GFCCVEGCSA-N -1 0 302.252 2.121 50 30 DEEARM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000096452594 402090244 /nfs/dbraw/zinc/09/02/44/402090244.db2.gz HVXRFXXQOFXMKB-RISCZKNCSA-N -1 0 319.386 2.233 50 30 DEEARM N#CCCN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000096487370 402094952 /nfs/dbraw/zinc/09/49/52/402094952.db2.gz KMMDTGMOSOURDQ-UHFFFAOYSA-N -1 0 315.285 2.449 50 30 DEEARM CS(=O)(=O)[N-]C(=O)CCc1cc(F)ccc1Br ZINC000097107088 402107903 /nfs/dbraw/zinc/10/79/03/402107903.db2.gz ADYXTQSBJWAVAG-UHFFFAOYSA-N -1 0 324.171 2.437 50 30 DEEARM C[C@@H](C1CC1)N(CCC#N)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097112702 402108885 /nfs/dbraw/zinc/10/88/85/402108885.db2.gz URCMRFPBKAPCEN-JTQLQIEISA-N -1 0 303.318 2.455 50 30 DEEARM N#Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000097114584 402109477 /nfs/dbraw/zinc/10/94/77/402109477.db2.gz ABQYTUQBNTXWOK-UHFFFAOYSA-N -1 0 306.665 2.406 50 30 DEEARM CCn1[n-]c(C)c([C@@H](c2ccccc2OC)C(C#N)C#N)c1=O ZINC000101278842 402144198 /nfs/dbraw/zinc/14/41/98/402144198.db2.gz WEGJWPWNCGOQQB-JKSUJKDBSA-N -1 0 310.357 2.296 50 30 DEEARM Cc1nc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)ccc1C#N ZINC000071805654 402279657 /nfs/dbraw/zinc/27/96/57/402279657.db2.gz AYPKUDMBSCQIGR-OAHLLOKOSA-N -1 0 309.325 2.208 50 30 DEEARM N#Cc1cn(Cc2ccc(-c3ccc(F)cc3)o2)c(=O)[n-]c1=O ZINC000048331848 424831920 /nfs/dbraw/zinc/83/19/20/424831920.db2.gz CXPUUGNSYXBWGR-UHFFFAOYSA-N -1 0 311.272 2.268 50 30 DEEARM CCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCCC2)cc1 ZINC000103502450 424848655 /nfs/dbraw/zinc/84/86/55/424848655.db2.gz UICZBMLQJNUYSB-OAHLLOKOSA-N -1 0 300.358 2.420 50 30 DEEARM CC1=C(C#N)C(=O)N(C)C(=O)C1=NNc1ccccc1C(=O)[O-] ZINC000013770239 300910401 /nfs/dbraw/zinc/91/04/01/300910401.db2.gz WVKDUVWZIIGGLU-ISLYRVAYSA-N -1 0 312.285 2.385 50 30 DEEARM N#CC(C(=O)N(CC(F)(F)F)C1CC1)=C([O-])c1ccoc1 ZINC000101093458 303157711 /nfs/dbraw/zinc/15/77/11/303157711.db2.gz SUWPJEOZYXQQSM-JTQLQIEISA-N -1 0 300.236 2.155 50 30 DEEARM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cccc(CC#N)c2)cn1 ZINC000192996709 527541887 /nfs/dbraw/zinc/54/18/87/527541887.db2.gz PGFUOWKGZMLWKT-UHFFFAOYSA-N -1 0 312.329 2.021 50 30 DEEARM COc1cc(CN=Nc2nc(C)cc(C)n2)cc([N+](=O)[O-])c1[O-] ZINC000254738415 685197881 /nfs/dbraw/zinc/19/78/81/685197881.db2.gz BIJNEONRJKBDGJ-UHFFFAOYSA-N -1 0 317.305 2.162 50 30 DEEARM CC(C)(C)N1C(=O)CS[C@H](C(=O)[O-])[C@H]1c1cccc(C#N)c1 ZINC000826791858 799493207 /nfs/dbraw/zinc/49/32/07/799493207.db2.gz WRBNPIYBSUCBAS-KGLIPLIRSA-N -1 0 318.398 2.426 50 30 DEEARM C=CCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S ZINC000000425105 353989597 /nfs/dbraw/zinc/98/95/97/353989597.db2.gz WJNZPSGIMVFLOY-UHFFFAOYSA-N -1 0 303.387 2.082 50 30 DEEARM Cc1cc2cc(C(=O)[N-]S(=O)(=O)CCCC#N)oc2cc1C ZINC000124911413 355810867 /nfs/dbraw/zinc/81/08/67/355810867.db2.gz BRUCESWOWQVPKP-UHFFFAOYSA-N -1 0 320.370 2.413 50 30 DEEARM COc1ccc(C=NNc2nc3ccccc3c(=O)n2[O-])cc1 ZINC000005529210 181253772 /nfs/dbraw/zinc/25/37/72/181253772.db2.gz KIUIGQWCDAFVIS-LICLKQGHSA-N -1 0 310.313 2.088 50 30 DEEARM CN(Cc1ccccc1)C(=O)N1CCC[C@@H](C#CC(=O)[O-])C1 ZINC000585136575 357337418 /nfs/dbraw/zinc/33/74/18/357337418.db2.gz LHTYWQKQRLVRRW-HNNXBMFYSA-N -1 0 300.358 2.038 50 30 DEEARM C=CCOc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1 ZINC000095970217 193467109 /nfs/dbraw/zinc/46/71/09/193467109.db2.gz TWQRKMOYHNZWNJ-UHFFFAOYSA-N -1 0 319.357 2.005 50 30 DEEARM CCn1[n-]c(C)c([C@H](c2ccccc2OC)C(C#N)C#N)c1=O ZINC000101278847 285471238 /nfs/dbraw/zinc/47/12/38/285471238.db2.gz WEGJWPWNCGOQQB-HOTGVXAUSA-N -1 0 310.357 2.296 50 30 DEEARM CCc1n[n-]c(=S)n1N=Cc1cc(OC)c(OC)c(OC)c1 ZINC000008182955 401749652 /nfs/dbraw/zinc/74/96/52/401749652.db2.gz NQSJIXVVLJOKMR-OVCLIPMQSA-N -1 0 322.390 2.411 50 30 DEEARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000002385900 401713443 /nfs/dbraw/zinc/71/34/43/401713443.db2.gz UXSGGQWSQPYJTQ-CYBMUJFWSA-N -1 0 304.346 2.469 50 30 DEEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(N)=NC(=O)c1ccccc1 ZINC000008299493 401750786 /nfs/dbraw/zinc/75/07/86/401750786.db2.gz MGULIQORTJBOKJ-UHFFFAOYSA-N -1 0 320.352 2.432 50 30 DEEARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000048566304 402001948 /nfs/dbraw/zinc/00/19/48/402001948.db2.gz WWCKVFUAECVDJF-UHFFFAOYSA-N -1 0 316.335 2.439 50 30 DEEARM CS(=O)(=O)[N-]C(=O)C=Cc1csc(Br)c1 ZINC000096408006 402078602 /nfs/dbraw/zinc/07/86/02/402078602.db2.gz DFPGDSURCABJQJ-NSCUHMNNSA-N -1 0 310.194 2.440 50 30 DEEARM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc12 ZINC000096427078 402084395 /nfs/dbraw/zinc/08/43/95/402084395.db2.gz YOCIAAOPMDHXIV-UHFFFAOYSA-N -1 0 314.326 2.204 50 30 DEEARM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2)[nH]n1 ZINC000096442695 402088229 /nfs/dbraw/zinc/08/82/29/402088229.db2.gz ZECFYQOLULWSNL-UHFFFAOYSA-N -1 0 311.338 2.366 50 30 DEEARM CCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)nc(C)n1 ZINC000097048806 402102844 /nfs/dbraw/zinc/10/28/44/402102844.db2.gz UOUNJYAGAQAAMW-UHFFFAOYSA-N -1 0 316.386 2.328 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)COC(C)C)cc1C ZINC000049135679 424836014 /nfs/dbraw/zinc/83/60/14/424836014.db2.gz LUKKTYXLQIOAEZ-UHFFFAOYSA-N -1 0 301.364 2.074 50 30 DEEARM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000101186675 424846420 /nfs/dbraw/zinc/84/64/20/424846420.db2.gz ZKAZCRJCFRRIDY-MRXNPFEDSA-N -1 0 313.401 2.478 50 30 DEEARM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccnc1Cl ZINC000101372627 424846536 /nfs/dbraw/zinc/84/65/36/424846536.db2.gz FTTOKSCELWFYPB-SNVBAGLBSA-N -1 0 300.705 2.091 50 30 DEEARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061721748 281470737 /nfs/dbraw/zinc/47/07/37/281470737.db2.gz ZCSQDGAYQDGGTR-MNOVXSKESA-N -1 0 304.371 2.404 50 30 DEEARM CC1=C(C#N)C(=O)N(C)C(=O)C1=NNc1cccc(C(=O)[O-])c1 ZINC000013769521 300910352 /nfs/dbraw/zinc/91/03/52/300910352.db2.gz PMFQNXXOLBUSKV-ISLYRVAYSA-N -1 0 312.285 2.385 50 30 DEEARM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000097083176 534433156 /nfs/dbraw/zinc/43/31/56/534433156.db2.gz MZJBAMRUGIORES-UHFFFAOYSA-N -1 0 311.363 2.134 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccn1)c1cccc2cc[nH]c21 ZINC000097010623 185396593 /nfs/dbraw/zinc/39/65/93/185396593.db2.gz QYMFXVZNFNTQBR-UHFFFAOYSA-N -1 0 301.327 2.256 50 30 DEEARM CCOC([O-])=NC(O)=C(C#N)C=NOCc1ccc(Cl)cc1 ZINC000004039627 181066077 /nfs/dbraw/zinc/06/60/77/181066077.db2.gz INAGMFWYXNBLDA-CPWFCVNUSA-N -1 0 323.736 2.255 50 30 DEEARM O=[N+]([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004743947 181146136 /nfs/dbraw/zinc/14/61/36/181146136.db2.gz NMZDLEPFUVJMOF-NTEUORMPSA-N -1 0 321.314 2.288 50 30 DEEARM C=CCn1c(C)nnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000004936446 181175272 /nfs/dbraw/zinc/17/52/72/181175272.db2.gz KLUKWSCFVRKOOZ-UHFFFAOYSA-N -1 0 319.415 2.363 50 30 DEEARM COc1ccc(-c2nc(-c3cccnc3)[n-]c(=O)c2C#N)cc1 ZINC000040542906 183099121 /nfs/dbraw/zinc/09/91/21/183099121.db2.gz WVKKUAADTUERLI-UHFFFAOYSA-N -1 0 304.309 2.379 50 30 DEEARM Cc1nn(C)cc1C(=O)/C=C/c1cccc(OCCC(=O)[O-])c1 ZINC000058465003 184119369 /nfs/dbraw/zinc/11/93/69/184119369.db2.gz WWSYDVMXZYESSP-VOTSOKGWSA-N -1 0 314.341 2.478 50 30 DEEARM CCOc1ccc(N=C2S[C@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000252590815 256613289 /nfs/dbraw/zinc/61/32/89/256613289.db2.gz AVHYRQUXPPPFMH-NSHDSACASA-N -1 0 308.359 2.121 50 30 DEEARM Cc1cccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000071892375 401693629 /nfs/dbraw/zinc/69/36/29/401693629.db2.gz FZSYPFCQCXYBDT-KBPBESRZSA-N -1 0 319.386 2.177 50 30 DEEARM N#Cc1ccccc1COc1ccccc1/C=C1/NC(=O)[N-]C1=O ZINC000000979865 401703319 /nfs/dbraw/zinc/70/33/19/401703319.db2.gz RYZIOHDNUAAXJF-OQLLNIDSSA-N -1 0 319.320 2.318 50 30 DEEARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000014097334 401806797 /nfs/dbraw/zinc/80/67/97/401806797.db2.gz NEHYHXZIVCPSSE-UHFFFAOYSA-N -1 0 316.338 2.366 50 30 DEEARM C#Cc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c1 ZINC000014849709 401813908 /nfs/dbraw/zinc/81/39/08/401813908.db2.gz BBHBLWPYAIZBHB-UHFFFAOYSA-N -1 0 321.379 2.317 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)c(C)o1 ZINC000095995732 402044790 /nfs/dbraw/zinc/04/47/90/402044790.db2.gz KTGHLIQTZJTOFL-UHFFFAOYSA-N -1 0 301.327 2.441 50 30 DEEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC(CO)CC2)C1 ZINC000092062313 402000870 /nfs/dbraw/zinc/00/08/70/402000870.db2.gz JGBPHDGPUDXCJY-MQBCKMQZSA-N -1 0 309.406 2.055 50 30 DEEARM O=C(CCc1ccsc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000096446456 402088738 /nfs/dbraw/zinc/08/87/38/402088738.db2.gz AYUZUJVBMJZXSW-UHFFFAOYSA-N -1 0 300.361 2.155 50 30 DEEARM CC(C)CS(=O)(=O)[N-]C(=O)C=Cc1ccc2c(c1)OCO2 ZINC000071850176 402288180 /nfs/dbraw/zinc/28/81/80/402288180.db2.gz RZVXNXLTZWCNAR-GQCTYLIASA-N -1 0 311.359 2.371 50 30 DEEARM CCOc1cc(C=NO)cc(Br)c1OCC(=O)[O-] ZINC000252628437 402659640 /nfs/dbraw/zinc/65/96/40/402659640.db2.gz SQHQOZTTXOHLNA-UHFFFAOYSA-N -1 0 318.123 2.119 50 30 DEEARM CC1(C)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1C#N ZINC000277506493 403224869 /nfs/dbraw/zinc/22/48/69/403224869.db2.gz KPSRYNWVKZPPNH-GFCCVEGCSA-N -1 0 303.318 2.455 50 30 DEEARM CCSCCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000048507009 424833960 /nfs/dbraw/zinc/83/39/60/424833960.db2.gz NZXGFWSIRRHCSK-UHFFFAOYSA-N -1 0 312.416 2.488 50 30 DEEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)CN1CCCCCC1=O ZINC000048424742 424834226 /nfs/dbraw/zinc/83/42/26/424834226.db2.gz BCLQGLKWGDWSEE-UHFFFAOYSA-N -1 0 324.402 2.043 50 30 DEEARM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000101257896 424846411 /nfs/dbraw/zinc/84/64/11/424846411.db2.gz XXKKYZBFYQODEP-MRXNPFEDSA-N -1 0 321.336 2.499 50 30 DEEARM N#Cc1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120087309 424852942 /nfs/dbraw/zinc/85/29/42/424852942.db2.gz QBGUPKWKEGLLIW-UHFFFAOYSA-N -1 0 309.328 2.329 50 30 DEEARM [O-][C@@]1(C(F)(F)F)OCCN=C1C(F)(F)C(F)(F)C(F)F ZINC000002963096 625041478 /nfs/dbraw/zinc/04/14/78/625041478.db2.gz XWZCPKQZHALANG-SSDOTTSWSA-N -1 0 319.123 2.244 50 30 DEEARM CS(=O)(=O)[N-]C(=O)c1ccc(Br)cc1Cl ZINC000048480867 636906611 /nfs/dbraw/zinc/90/66/11/636906611.db2.gz HCRWUBXQGXSWDU-UHFFFAOYSA-N -1 0 312.572 2.367 50 30 DEEARM O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F ZINC000095671202 185382880 /nfs/dbraw/zinc/38/28/80/185382880.db2.gz RJGUAQKOHAABLK-UHFFFAOYSA-N -1 0 316.097 2.232 50 30 DEEARM COc1ccc(C#N)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000071846864 191030828 /nfs/dbraw/zinc/03/08/28/191030828.db2.gz VJJBIUXGWLZDSJ-VXGBXAGGSA-N -1 0 300.314 2.172 50 30 DEEARM C=C(C)C(=O)N(C(=O)C(=C)C)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000004673241 181134664 /nfs/dbraw/zinc/13/46/64/181134664.db2.gz CEOPICHIMYVGKA-UHFFFAOYSA-N -1 0 311.341 2.244 50 30 DEEARM CCOC(=O)C(=N[O-])c1c(C)nn(Cc2ccccc2)c1C ZINC000309546423 356410452 /nfs/dbraw/zinc/41/04/52/356410452.db2.gz QBWVRKZRGGJCOB-UHFFFAOYSA-N -1 0 301.346 2.290 50 30 DEEARM Cc1cc(C)n(C(=O)C(C#N)=N[N-]c2ccccc2[N+](=O)[O-])n1 ZINC000006281380 181325990 /nfs/dbraw/zinc/32/59/90/181325990.db2.gz BKMRBYHXWXDJNA-SFQUDFHCSA-N -1 0 312.289 2.040 50 30 DEEARM CC(C)(C)c1[n-]n(Cc2cn3cccnc3n2)c(=O)c1CCC#N ZINC000193674787 201100381 /nfs/dbraw/zinc/10/03/81/201100381.db2.gz TYBHNRIECXZNBG-UHFFFAOYSA-N -1 0 324.388 2.433 50 30 DEEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccccc2)C(=O)CC1(C)C ZINC000100671850 291301278 /nfs/dbraw/zinc/30/12/78/291301278.db2.gz NEUPJYPNCIZVOQ-HCYCVZQXSA-N -1 0 301.342 2.340 50 30 DEEARM C=CCOc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1OC ZINC000263498010 203473466 /nfs/dbraw/zinc/47/34/66/203473466.db2.gz YHSWBHFDPSEAPQ-QWRGUYRKSA-N -1 0 307.346 2.099 50 30 DEEARM Cn1ncc(C#N)c1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000156283975 197101238 /nfs/dbraw/zinc/10/12/38/197101238.db2.gz WBYSJUYXYCILQI-UHFFFAOYSA-N -1 0 314.370 2.021 50 30 DEEARM CCCCOC(=O)N=S(=O)([O-])c1ccc([N+](=O)[O-])cc1 ZINC000003131566 401721907 /nfs/dbraw/zinc/72/19/07/401721907.db2.gz BBNNVTGCIJAXJU-UHFFFAOYSA-N -1 0 302.308 2.014 50 30 DEEARM N#Cc1cc(C(=O)c2ccccc2[O-])cn(-c2ccccn2)c1=O ZINC000003278564 401723493 /nfs/dbraw/zinc/72/34/93/401723493.db2.gz ARHPZWOJFGHEFU-UHFFFAOYSA-N -1 0 317.304 2.041 50 30 DEEARM CCn1[n-]c(C)c([C@@H](c2ccccc2OC)C(C#N)C#N)c1=O ZINC000005398261 401729731 /nfs/dbraw/zinc/72/97/31/401729731.db2.gz WEGJWPWNCGOQQB-HZPDHXFCSA-N -1 0 310.357 2.296 50 30 DEEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000000084683 401687828 /nfs/dbraw/zinc/68/78/28/401687828.db2.gz VAKNZNUJAMJGJQ-CYBMUJFWSA-N -1 0 323.732 2.099 50 30 DEEARM CN(C)/C=C1\C(=O)c2sccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000012861336 401792808 /nfs/dbraw/zinc/79/28/08/401792808.db2.gz CMVMKIWABGOSPV-TVSKSKRASA-N -1 0 304.293 2.110 50 30 DEEARM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1 ZINC000095940209 402035243 /nfs/dbraw/zinc/03/52/43/402035243.db2.gz RDONLBRNEQQBGF-UHFFFAOYSA-N -1 0 308.338 2.276 50 30 DEEARM CCn1cc(S(=O)(=O)[N-]C(=O)CCc2ccsc2)cn1 ZINC000096453131 402090695 /nfs/dbraw/zinc/09/06/95/402090695.db2.gz PSLGYQCJVBGIBB-UHFFFAOYSA-N -1 0 313.404 2.243 50 30 DEEARM C=CCS(=O)(=O)[N-]C(=O)/C=C\c1cccc2ccccc12 ZINC000098053247 402135444 /nfs/dbraw/zinc/13/54/44/402135444.db2.gz XJPSZRZPNWJYLP-KHPPLWFESA-N -1 0 301.367 2.485 50 30 DEEARM C=CCN1C(=O)[N-]C(=O)C(=C(C)NCCC2=CCCCC2)C1=O ZINC000101064641 402143299 /nfs/dbraw/zinc/14/32/99/402143299.db2.gz FKJCVQBUBXZRTH-WYMLVPIESA-N -1 0 317.389 2.005 50 30 DEEARM CCOc1ccc(/N=C2\S[C@@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000018169779 286560297 /nfs/dbraw/zinc/56/02/97/286560297.db2.gz AVHYRQUXPPPFMH-PHIZWAGYSA-N -1 0 308.359 2.121 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000048566293 424833519 /nfs/dbraw/zinc/83/35/19/424833519.db2.gz QZISLZOAYXEDDT-UHFFFAOYSA-N -1 0 316.335 2.295 50 30 DEEARM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)no1 ZINC000101372632 424847071 /nfs/dbraw/zinc/84/70/71/424847071.db2.gz GDIMATNPZIOVRB-JTQLQIEISA-N -1 0 312.329 2.328 50 30 DEEARM COCCCNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1 ZINC000103502863 424848335 /nfs/dbraw/zinc/84/83/35/424848335.db2.gz BFLSLARAFAXTQK-MRXNPFEDSA-N -1 0 310.353 2.315 50 30 DEEARM CC1(C)[C@H](C(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C(=O)[O-] ZINC000061721745 281465757 /nfs/dbraw/zinc/46/57/57/281465757.db2.gz ZCSQDGAYQDGGTR-WDEREUQCSA-N -1 0 304.371 2.404 50 30 DEEARM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000048648104 519443493 /nfs/dbraw/zinc/44/34/93/519443493.db2.gz WDUOHRGZKCNKAV-NEPJUHHUSA-N -1 0 311.407 2.304 50 30 DEEARM CC1=CC(=O)C(=C([O-])C=Cc2cnn(-c3ccccc3)c2)C(=O)O1 ZINC000105328948 684059815 /nfs/dbraw/zinc/05/98/15/684059815.db2.gz IJPNWUUEZXHXPJ-QWPQOLDESA-N -1 0 322.320 2.101 50 30 DEEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2sc(C)nc2C)o1 ZINC000083150705 539388697 /nfs/dbraw/zinc/38/86/97/539388697.db2.gz IHWDYWUWGZNBPQ-UHFFFAOYSA-N -1 0 300.361 2.355 50 30 DEEARM CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000001045277 180842873 /nfs/dbraw/zinc/84/28/73/180842873.db2.gz DTEAZCJUKPARQD-WIJRQFRKSA-N -1 0 319.386 2.206 50 30 DEEARM COC(=O)[C@@H]1C([O-])=C(C=Nc2ccccc2)C(=O)CC1(C)C ZINC000100318927 291301282 /nfs/dbraw/zinc/30/12/82/291301282.db2.gz NEUPJYPNCIZVOQ-WONIAPNHSA-N -1 0 301.342 2.340 50 30 DEEARM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[N-]S(C)(=O)=O ZINC000066229802 296209823 /nfs/dbraw/zinc/20/98/23/296209823.db2.gz UMHUAPMFYNWRDO-SSDOTTSWSA-N -1 0 311.281 2.389 50 30 DEEARM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@H](C)SC)c1 ZINC000048493430 183662511 /nfs/dbraw/zinc/66/25/11/183662511.db2.gz BNVYMVNHVGBZNP-QMMMGPOBSA-N -1 0 319.404 2.101 50 30 DEEARM N#Cc1cccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)c1 ZINC000065215111 184314699 /nfs/dbraw/zinc/31/46/99/184314699.db2.gz SNDFYIVKXYYKET-UHFFFAOYSA-N -1 0 311.322 2.419 50 30 DEEARM COC(=O)c1sccc1[N-]N=C(C#N)C(=O)c1ccco1 ZINC000000125816 401688350 /nfs/dbraw/zinc/68/83/50/401688350.db2.gz LBJQBFZPQFURPJ-CXUHLZMHSA-N -1 0 303.299 2.302 50 30 DEEARM COc1ccc(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)cn1 ZINC000000157934 401688754 /nfs/dbraw/zinc/68/87/54/401688754.db2.gz LUHPQZVSQHWZDR-UHFFFAOYSA-N -1 0 321.358 2.113 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nc2sc(C)c(C)c2c1=O ZINC000000237116 401691882 /nfs/dbraw/zinc/69/18/82/401691882.db2.gz XWUAOPITKYYSAV-UHFFFAOYSA-N -1 0 310.400 2.438 50 30 DEEARM CCOC(=O)C(C#N)=C1C(=O)c2ccccc2C([O-])=C1Cl ZINC000000500729 401699704 /nfs/dbraw/zinc/69/97/04/401699704.db2.gz MQFPUDFVKBOKAR-SNVBAGLBSA-N -1 0 303.701 2.261 50 30 DEEARM Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000000531301 401700695 /nfs/dbraw/zinc/70/06/95/401700695.db2.gz JPRNMWMGBZDCEI-UFWORHAWSA-N -1 0 309.329 2.266 50 30 DEEARM Cc1sc(-c2ccco2)nc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026266987 401839608 /nfs/dbraw/zinc/83/96/08/401839608.db2.gz SZRFZSAOEGUQLE-UHFFFAOYSA-N -1 0 324.325 2.430 50 30 DEEARM O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1[O-] ZINC000096032872 402047272 /nfs/dbraw/zinc/04/72/72/402047272.db2.gz INAICWLVUAKEPB-QSTFCLMHSA-N -1 0 321.380 2.447 50 30 in-vitro DEEARM C/C(=N\c1ccc(C(C)C)cc1)c1c([O-])n(C)c(=O)n(C)c1=O ZINC000101161143 402143768 /nfs/dbraw/zinc/14/37/68/402143768.db2.gz CVIDBHRKKYFFPG-WOJGMQOQSA-N -1 0 315.373 2.054 50 30 DEEARM Cc1cc(Cl)c2ncc(C#N)c(NC[C@](C)(O)C(=O)[O-])c2c1 ZINC000263541512 402779339 /nfs/dbraw/zinc/77/93/39/402779339.db2.gz DCGWYOHYDKHWOZ-HNNXBMFYSA-N -1 0 319.748 2.316 50 30 DEEARM O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048423159 424833082 /nfs/dbraw/zinc/83/30/82/424833082.db2.gz QQPPJJMKZNPKFT-UHFFFAOYSA-N -1 0 324.314 2.466 50 30 DEEARM C[C@@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000048532601 424833474 /nfs/dbraw/zinc/83/34/74/424833474.db2.gz YSOBZEBVNCLLKW-GFCCVEGCSA-N -1 0 320.370 2.332 50 30 DEEARM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000048535724 424833479 /nfs/dbraw/zinc/83/34/79/424833479.db2.gz SQPNJVCTWPTQBC-KOLCDFICSA-N -1 0 311.359 2.149 50 30 DEEARM CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000102786793 424848095 /nfs/dbraw/zinc/84/80/95/424848095.db2.gz SCCKSQOVKDHMOW-XITLMJRVSA-N -1 0 300.310 2.314 50 30 DEEARM Cc1cc([O-])c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000003543677 181032489 /nfs/dbraw/zinc/03/24/89/181032489.db2.gz FEIGDRCJLPMXIW-QPJJXVBHSA-N -1 0 301.254 2.458 50 30 DEEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2csc(C)n2)C1 ZINC000091643446 193083613 /nfs/dbraw/zinc/08/36/13/193083613.db2.gz NZKUHEDTZSSVNP-OAHLLOKOSA-N -1 0 308.403 2.264 50 30 DEEARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000009606279 401763891 /nfs/dbraw/zinc/76/38/91/401763891.db2.gz RFINSMVZZBCWKN-UHFFFAOYSA-N -1 0 316.338 2.146 50 30 DEEARM Cc1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000078445765 401851642 /nfs/dbraw/zinc/85/16/42/401851642.db2.gz YKUMKNUFLSYXHU-UHFFFAOYSA-N -1 0 314.363 2.425 50 30 DEEARM CS(=O)(=O)[N-]C(=O)c1csc(CCc2ccccc2)n1 ZINC000078657733 401860897 /nfs/dbraw/zinc/86/08/97/401860897.db2.gz NMZZOQORGKVFCF-UHFFFAOYSA-N -1 0 310.400 2.193 50 30 DEEARM C#CCOc1cc(-n2nc(SC)[n-]c2=O)c(F)cc1Cl ZINC000085388720 401914965 /nfs/dbraw/zinc/91/49/65/401914965.db2.gz FXSMNWSVWDURMZ-UHFFFAOYSA-N -1 0 313.741 2.087 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000050204724 402026689 /nfs/dbraw/zinc/02/66/89/402026689.db2.gz BXHMAWKIMXSQAW-UWVGGRQHSA-N -1 0 318.192 2.469 50 30 DEEARM CC1(C)CC(=O)C(C(=O)C=CNCCc2ccccc2)=C([O-])C1 ZINC000100614715 402141724 /nfs/dbraw/zinc/14/17/24/402141724.db2.gz RFMBAZVOLOQNBX-PKNBQFBNSA-N -1 0 313.397 2.476 50 30 DEEARM O=c1oc2ccccc2c([O-])c1C=Nc1ccc([N+](=O)[O-])cn1 ZINC000100626939 402142183 /nfs/dbraw/zinc/14/21/83/402142183.db2.gz ZCGLMZJFRATFPE-FLIBITNWSA-N -1 0 311.253 2.088 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccccc1Br ZINC000071850160 402288055 /nfs/dbraw/zinc/28/80/55/402288055.db2.gz MVGMTGTWUXINQF-RKDXNWHRSA-N -1 0 318.192 2.469 50 30 DEEARM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328587809 563929618 /nfs/dbraw/zinc/92/96/18/563929618.db2.gz IIFBMSBFFGWVBD-NXEZZACHSA-N -1 0 322.327 2.454 50 30 DEEARM C#CCCC1(CCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])N=N1 ZINC000952876301 792791858 /nfs/dbraw/zinc/79/18/58/792791858.db2.gz LLXXYCPKQKTWMV-SWLSCSKDSA-N -1 0 305.378 2.492 50 30 DEEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000078556577 539368092 /nfs/dbraw/zinc/36/80/92/539368092.db2.gz YDYGGEZAWVJTGN-POHAHGRESA-N -1 0 311.359 2.475 50 30 DEEARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1C#N ZINC000002575659 180936577 /nfs/dbraw/zinc/93/65/77/180936577.db2.gz HBMUTHPYXNFHBB-ZDUSSCGKSA-N -1 0 304.346 2.469 50 30 DEEARM N#Cc1ccc([O-])c(NC(=O)c2cccc(-n3cccn3)n2)c1 ZINC000075093112 355067336 /nfs/dbraw/zinc/06/73/36/355067336.db2.gz LHNIMKHHFHTPQD-UHFFFAOYSA-N -1 0 305.297 2.097 50 30 DEEARM CC[C@H](NC(=O)C(C#N)=C([O-])c1cnn(C)c1)c1ccccc1 ZINC000195577093 356258971 /nfs/dbraw/zinc/25/89/71/356258971.db2.gz POWYQOHPCHVKNC-CABCVRRESA-N -1 0 310.357 2.010 50 30 DEEARM C=C[C@](C)(O)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000585134694 357335962 /nfs/dbraw/zinc/33/59/62/357335962.db2.gz GSJBYAOWYBIIDD-KRWDZBQOSA-N -1 0 303.358 2.028 50 30 DEEARM CCOC(=O)[C@@H](CS)n1c(=O)c2ccccc2[n-]c1=S ZINC000006858482 181398734 /nfs/dbraw/zinc/39/87/34/181398734.db2.gz ZZLDSAUULHAVEF-SNVBAGLBSA-N -1 0 310.400 2.093 50 30 DEEARM O=[N+]([O-])c1ccc([O-])c(/C=N/n2c(CO)nc3ccccc32)c1 ZINC000061869689 184190528 /nfs/dbraw/zinc/19/05/28/184190528.db2.gz ZRDLNOGSEKBYIA-LZYBPNLTSA-N -1 0 312.285 2.025 50 30 DEEARM C[C@H](Oc1cccc(/C=C/C(=O)c2cnn(C)c2)c1)C(=O)[O-] ZINC000065594293 184371157 /nfs/dbraw/zinc/37/11/57/184371157.db2.gz KIEHLHDYBBHKHZ-MLRMMBSGSA-N -1 0 300.314 2.168 50 30 DEEARM C=CCN(CC=C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000184850187 402303875 /nfs/dbraw/zinc/30/38/75/402303875.db2.gz UUJYTOQLSZHMSM-UHFFFAOYSA-N -1 0 309.387 2.364 50 30 DEEARM CS[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000048518468 424833597 /nfs/dbraw/zinc/83/35/97/424833597.db2.gz NXHLQEYKWKDATJ-MRVPVSSYSA-N -1 0 318.376 2.133 50 30 DEEARM COCCCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000103502842 424848729 /nfs/dbraw/zinc/84/87/29/424848729.db2.gz PLGJAVLZUAISPY-LBPRGKRZSA-N -1 0 316.382 2.376 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000091696814 520504063 /nfs/dbraw/zinc/50/40/63/520504063.db2.gz KJEIQIGSGQKYDK-UHFFFAOYSA-N -1 0 314.382 2.470 50 30 DEEARM O=C1Nc2ccccc2/C1=N\N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000025540861 527090259 /nfs/dbraw/zinc/09/02/59/527090259.db2.gz PDHSMPMGIUMIFY-LZYBPNLTSA-N -1 0 310.269 2.076 50 30 DEEARM Cc1cccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)c1C#N ZINC000585129211 790323739 /nfs/dbraw/zinc/32/37/39/790323739.db2.gz BNAAIZHEGAFVBF-UHFFFAOYSA-N -1 0 320.374 2.249 50 30 DEEARM C#CCCC1(CCC(=O)N(C)Cc2ccc(C(=O)[O-])o2)N=N1 ZINC000952876451 792791815 /nfs/dbraw/zinc/79/18/15/792791815.db2.gz QPMIOAGEXINPFT-UHFFFAOYSA-N -1 0 303.318 2.292 50 30 DEEARM C#CCCC1(CCC(=O)NC(C)(C)c2nocc2C(=O)[O-])N=N1 ZINC000952876449 792792316 /nfs/dbraw/zinc/79/23/16/792792316.db2.gz QNVXUVIXVXZJRY-UHFFFAOYSA-N -1 0 318.333 2.080 50 30 DEEARM C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)Cc1cccc(F)c1 ZINC000074823973 295831002 /nfs/dbraw/zinc/83/10/02/295831002.db2.gz HNJAQULIRFAMJS-SNVBAGLBSA-N -1 0 311.320 2.500 50 30 DEEARM C=C[C@@](C)(O)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000585134695 357336019 /nfs/dbraw/zinc/33/60/19/357336019.db2.gz GSJBYAOWYBIIDD-QGZVFWFLSA-N -1 0 303.358 2.028 50 30 DEEARM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1cnnn1C ZINC000585136266 357336846 /nfs/dbraw/zinc/33/68/46/357336846.db2.gz YLXQBCKWJUJCHR-AATRIKPKSA-N -1 0 315.329 2.197 50 30 DEEARM C=CCn1c(=O)c2ccc(C(=O)NC3CC3)cc2[n-]c1=S ZINC000017122367 182076025 /nfs/dbraw/zinc/07/60/25/182076025.db2.gz HRFVJPGISIEAIU-UHFFFAOYSA-N -1 0 301.371 2.137 50 30 DEEARM CCOc1cc(C=Nn2c(C(F)F)n[n-]c2=S)ccc1O ZINC000008477850 401753612 /nfs/dbraw/zinc/75/36/12/401753612.db2.gz YXOYIXDOFMKHPR-GIDUJCDVSA-N -1 0 314.317 2.491 50 30 DEEARM CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc(C#N)c2)no1 ZINC000096001685 402045429 /nfs/dbraw/zinc/04/54/29/402045429.db2.gz VESCINRJCQWVOX-UHFFFAOYSA-N -1 0 306.347 2.040 50 30 DEEARM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000096446468 402088858 /nfs/dbraw/zinc/08/88/58/402088858.db2.gz WQWNBSDBNUQPCF-UHFFFAOYSA-N -1 0 319.342 2.299 50 30 DEEARM CC(C)(C)CS(=O)(=O)[N-]C(=O)CCc1cncc(F)c1 ZINC000097033170 402100041 /nfs/dbraw/zinc/10/00/41/402100041.db2.gz HBBOOMBPHURHEV-UHFFFAOYSA-N -1 0 302.371 2.486 50 30 DEEARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cn1 ZINC000097048798 402103026 /nfs/dbraw/zinc/10/30/26/402103026.db2.gz TVYOXKBBFYDVTJ-UHFFFAOYSA-N -1 0 310.766 2.229 50 30 DEEARM C[C@H](C1CC1)N(CCC#N)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097112704 402108837 /nfs/dbraw/zinc/10/88/37/402108837.db2.gz URCMRFPBKAPCEN-SNVBAGLBSA-N -1 0 303.318 2.455 50 30 DEEARM N#CC1=C([O-])C(=CNc2ncccn2)C(=O)C[C@@H]1c1ccccc1 ZINC000100938276 402143357 /nfs/dbraw/zinc/14/33/57/402143357.db2.gz DVWSQFWGIWCRDF-IORLYMPISA-N -1 0 318.336 2.238 50 30 DEEARM CCOc1ccccc1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000105639426 402209122 /nfs/dbraw/zinc/20/91/22/402209122.db2.gz KQCWJLMIWZLNTL-QWGSZXSUSA-N -1 0 300.310 2.314 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C#N)sc1Cl ZINC000170089562 402503424 /nfs/dbraw/zinc/50/34/24/402503424.db2.gz UUTVJVZGGFXLSJ-UHFFFAOYSA-N -1 0 316.795 2.414 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccn2)c(F)cc1F ZINC000170608332 402507337 /nfs/dbraw/zinc/50/73/37/402507337.db2.gz MUUOFAGNKORLLN-UHFFFAOYSA-N -1 0 309.297 2.341 50 30 DEEARM C#Cc1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000047328698 424825552 /nfs/dbraw/zinc/82/55/52/424825552.db2.gz FMIVOGFXIDXNEJ-UHFFFAOYSA-N -1 0 309.778 2.164 50 30 DEEARM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000048459196 424833629 /nfs/dbraw/zinc/83/36/29/424833629.db2.gz NCTXPORMWSNHBA-SECBINFHSA-N -1 0 305.302 2.179 50 30 DEEARM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1 ZINC000101186677 424846635 /nfs/dbraw/zinc/84/66/35/424846635.db2.gz ZKAZCRJCFRRIDY-INIZCTEOSA-N -1 0 313.401 2.478 50 30 DEEARM COCCCNC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1 ZINC000103502860 424848548 /nfs/dbraw/zinc/84/85/48/424848548.db2.gz BFLSLARAFAXTQK-INIZCTEOSA-N -1 0 310.353 2.315 50 30 DEEARM Cc1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1C#N ZINC000262437556 302554422 /nfs/dbraw/zinc/55/44/22/302554422.db2.gz GMBULFFHTLCWQR-DFBGVHRSSA-N -1 0 313.357 2.120 50 30 DEEARM CCOC(=O)c1ccc(C/C(=N/[O-])c2ccc(O)cc2O)o1 ZINC000018167244 521471299 /nfs/dbraw/zinc/47/12/99/521471299.db2.gz FXMZORIQNOXYIA-VBKFSLOCSA-N -1 0 305.286 2.289 50 30 biogenic DEEARM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccn(CCCC#N)n2)c1 ZINC000095406394 524952253 /nfs/dbraw/zinc/95/22/53/524952253.db2.gz KUPVRZTXEHSZBV-UHFFFAOYSA-N -1 0 322.365 2.435 50 30 DEEARM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cn(CC)c(C)n2)o1 ZINC000095455856 529580531 /nfs/dbraw/zinc/58/05/31/529580531.db2.gz ZBPPFHSDSPCMQD-UHFFFAOYSA-N -1 0 311.363 2.060 50 30 DEEARM CS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccccc1Cl ZINC000078948062 355287624 /nfs/dbraw/zinc/28/76/24/355287624.db2.gz ZYWDQDQLPVEDDS-UHFFFAOYSA-N -1 0 300.723 2.259 50 30 DEEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(F)c2C#N)n1C ZINC000097103255 355702109 /nfs/dbraw/zinc/70/21/09/355702109.db2.gz KLFYDCLWCNGXIC-UHFFFAOYSA-N -1 0 321.333 2.038 50 30 DEEARM Cc1nc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)ccc1C#N ZINC000071805653 184847814 /nfs/dbraw/zinc/84/78/14/184847814.db2.gz AYPKUDMBSCQIGR-HNNXBMFYSA-N -1 0 309.325 2.208 50 30 DEEARM N#Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1F ZINC000263374439 132584695 /nfs/dbraw/zinc/58/46/95/132584695.db2.gz ZXEOEVPDFZPNRH-UHFFFAOYSA-N -1 0 305.309 2.462 50 30 DEEARM CC(=O)C(=N[N-]c1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F ZINC000016138743 401818667 /nfs/dbraw/zinc/81/86/67/401818667.db2.gz ZRGIVJFCCOOPSC-SXGWCWSVSA-N -1 0 303.196 2.083 50 30 DEEARM CS(=O)(=O)[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000067600041 402164137 /nfs/dbraw/zinc/16/41/37/402164137.db2.gz JJXKHHKYJZSERJ-UHFFFAOYSA-N -1 0 311.281 2.434 50 30 DEEARM COc1ccc(CN2c3ccccc3C(=N[O-])C2=O)cc1OC ZINC000254450797 402670711 /nfs/dbraw/zinc/67/07/11/402670711.db2.gz NXEZHPZSTSWMJT-UHFFFAOYSA-N -1 0 312.325 2.429 50 30 DEEARM COc1ccc(-c2nn(CCC#N)cc2C=NO)cc1OC ZINC000254559266 402671100 /nfs/dbraw/zinc/67/11/00/402671100.db2.gz TZOPPNXKOOXDIO-UHFFFAOYSA-N -1 0 300.318 2.289 50 30 DEEARM COc1ccc(C[N+]2c3ccccc3C(=N[O-])C2=O)cc1OC ZINC000343516930 403618920 /nfs/dbraw/zinc/61/89/20/403618920.db2.gz JGTUQDPIEDGDLK-UHFFFAOYSA-N -1 0 312.325 2.394 50 30 DEEARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135844 424835747 /nfs/dbraw/zinc/83/57/47/424835747.db2.gz ZMNUDEJGDYBHEB-RCOVLWMOSA-N -1 0 319.180 2.145 50 30 DEEARM C=CC[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@]21O3 ZINC000004028985 277884463 /nfs/dbraw/zinc/88/44/63/277884463.db2.gz CVIIEVKDNDVREO-ZFHCCXERSA-N -1 0 311.337 2.002 50 30 biogenic DEEARM CN1CCC[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1=O ZINC000331234315 289938472 /nfs/dbraw/zinc/93/84/72/289938472.db2.gz KOTFFIDUWYCNAI-SNVBAGLBSA-N -1 0 300.717 2.110 50 30 DEEARM COc1ccc2c(c1)CCN(C(=O)N=c1cn[n-]s1)CC2 ZINC000330271823 295260044 /nfs/dbraw/zinc/26/00/44/295260044.db2.gz WOWWLSNDVQWIMY-UHFFFAOYSA-N -1 0 304.375 2.193 50 30 DEEARM CC1=C(C#N)C(=O)N(C)C(=O)C1=NNc1ccc(C(=O)[O-])cc1 ZINC000252610016 300910723 /nfs/dbraw/zinc/91/07/23/300910723.db2.gz HXYFIRLXYOQUDP-UHFFFAOYSA-N -1 0 312.285 2.385 50 30 DEEARM N#CCc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000097017926 303157130 /nfs/dbraw/zinc/15/71/30/303157130.db2.gz HLNQHEPBRBNNGN-QGZVFWFLSA-N -1 0 320.348 2.404 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2nn(C)c(C)c2C#N)sc1C ZINC000585129500 790325725 /nfs/dbraw/zinc/32/57/25/790325725.db2.gz LUIHQGKYNDDRBR-UHFFFAOYSA-N -1 0 310.404 2.079 50 30 DEEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000170603074 197786588 /nfs/dbraw/zinc/78/65/88/197786588.db2.gz UGCFVVLXJXOOCR-UHFFFAOYSA-N -1 0 310.766 2.229 50 30 DEEARM NC1=C(c2ccccc2)C(=O)CN1c1ccc(CC(=O)[O-])cc1 ZINC000005572031 181258555 /nfs/dbraw/zinc/25/85/55/181258555.db2.gz KHGDXWCRNXAIMC-UHFFFAOYSA-N -1 0 308.337 2.030 50 30 DEEARM C=CCn1c(=O)c2ccc(C(=O)NCCC)cc2[n-]c1=S ZINC000006508332 181347648 /nfs/dbraw/zinc/34/76/48/181347648.db2.gz YOHVYEAIHAXCNN-UHFFFAOYSA-N -1 0 303.387 2.385 50 30 DEEARM O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006827719 181395682 /nfs/dbraw/zinc/39/56/82/181395682.db2.gz JGTNAGYHADQMCM-UHFFFAOYSA-N -1 0 300.098 2.300 50 30 in-vitro DEEARM C=CCc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000262181470 203222575 /nfs/dbraw/zinc/22/25/75/203222575.db2.gz WWHOLGHIQDKKJF-CYBMUJFWSA-N -1 0 319.357 2.122 50 30 DEEARM COc1cc(C(=O)[N-]S(C)(=O)=O)ccc1OC1CCCC1 ZINC000048486823 224498826 /nfs/dbraw/zinc/49/88/26/224498826.db2.gz UOHACMHVOHEKKR-UHFFFAOYSA-N -1 0 313.375 2.281 50 30 DEEARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000071892471 184890590 /nfs/dbraw/zinc/89/05/90/184890590.db2.gz NMSFFWFNAAOVTJ-JTQLQIEISA-N -1 0 319.329 2.168 50 30 DEEARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007709012 401743663 /nfs/dbraw/zinc/74/36/63/401743663.db2.gz FDUOEMLAVWNTLA-UHFFFAOYSA-N -1 0 322.367 2.207 50 30 DEEARM C#Cc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000000140222 401688493 /nfs/dbraw/zinc/68/84/93/401688493.db2.gz GNEHSAAZNHNEAV-UHFFFAOYSA-N -1 0 317.366 2.486 50 30 DEEARM Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000096446473 402088676 /nfs/dbraw/zinc/08/86/76/402088676.db2.gz UDYFTGQZSOLDMD-UHFFFAOYSA-N -1 0 308.359 2.320 50 30 DEEARM O=C([N-]S(=O)(=O)Cc1ccon1)c1cccn1C1CCCC1 ZINC000097049054 402103097 /nfs/dbraw/zinc/10/30/97/402103097.db2.gz OBISVBMGDYTCNQ-UHFFFAOYSA-N -1 0 323.374 2.426 50 30 DEEARM CC(C)(C)c1[n-]n(CC(=O)N2CCCCC2)c(=O)c1CCC#N ZINC000101811062 402156272 /nfs/dbraw/zinc/15/62/72/402156272.db2.gz JHRZVHIMDIDEAQ-UHFFFAOYSA-N -1 0 318.421 2.355 50 30 DEEARM N#Cc1nc(NC(=O)c2ccc(-n3cccc3)c(F)c2)[n-]c1C#N ZINC000069557393 402230283 /nfs/dbraw/zinc/23/02/83/402230283.db2.gz FJZAJRBJNCCXIJ-UHFFFAOYSA-N -1 0 320.287 2.335 50 30 DEEARM COc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1O ZINC000252642045 402659455 /nfs/dbraw/zinc/65/94/55/402659455.db2.gz ZIYNKKNAQUMLPF-UHFFFAOYSA-N -1 0 318.280 2.182 50 30 DEEARM N#Cc1cccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)c1 ZINC000048609084 424834378 /nfs/dbraw/zinc/83/43/78/424834378.db2.gz WLINUEGQNYVJPK-GFCCVEGCSA-N -1 0 308.359 2.163 50 30 DEEARM COc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000103503820 424848487 /nfs/dbraw/zinc/84/84/87/424848487.db2.gz GHHJWWDRTLFSKC-HNNXBMFYSA-N -1 0 300.358 2.467 50 30 DEEARM COCCCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1C ZINC000103502817 424848660 /nfs/dbraw/zinc/84/86/60/424848660.db2.gz YOYMPFLXPJPJRH-CYBMUJFWSA-N -1 0 314.341 2.216 50 30 DEEARM C#CCCCCC(=O)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000888099244 635547337 /nfs/dbraw/zinc/54/73/37/635547337.db2.gz DNBXNPHCTATWOA-UHFFFAOYSA-N -1 0 322.411 2.295 50 30 DEEARM O=[N+]([O-])c1cccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC000004955514 181178682 /nfs/dbraw/zinc/17/86/82/181178682.db2.gz SAVFSAFMBXOSBY-NTEUORMPSA-N -1 0 321.314 2.288 50 30 DEEARM CCOC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000005445419 181244453 /nfs/dbraw/zinc/24/44/53/181244453.db2.gz JRJWZAUTRBSPKJ-UHFFFAOYSA-N -1 0 305.334 2.405 50 30 DEEARM C/C(=N/Cc1cccc(Cl)c1)c1c([O-])[nH]c(=O)sc1=O ZINC000230138433 356283874 /nfs/dbraw/zinc/28/38/74/356283874.db2.gz ZQMVLIQCLMCDFL-CHHVJCJISA-N -1 0 310.762 2.165 50 30 DEEARM Cc1[nH]nc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1C#N ZINC000097376403 193713475 /nfs/dbraw/zinc/71/34/75/193713475.db2.gz LRVZYXBMVOTABG-SNVBAGLBSA-N -1 0 304.375 2.135 50 30 DEEARM O=[N+]([O-])c1ccc([O-])c(/C=N/NC(=S)NC2CCCCC2)c1 ZINC000004210504 401725557 /nfs/dbraw/zinc/72/55/57/401725557.db2.gz RQJFGVCMWPRFGW-OQLLNIDSSA-N -1 0 322.390 2.431 50 30 DEEARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(N)=S)cc1 ZINC000008829882 401757044 /nfs/dbraw/zinc/75/70/44/401757044.db2.gz UAKJDWXPMOCUID-UHFFFAOYSA-N -1 0 303.387 2.488 50 30 DEEARM Cc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)C(=O)N2C ZINC000013123369 401796260 /nfs/dbraw/zinc/79/62/60/401796260.db2.gz RWKIJCOZTXCESG-CYVLTUHYSA-N -1 0 309.325 2.486 50 30 DEEARM Cc1cccc(CN2CCCC[C@H]2C(=O)[N-]S(C)(=O)=O)c1 ZINC000095943112 402034912 /nfs/dbraw/zinc/03/49/12/402034912.db2.gz GLSWBAXCFPXDRJ-AWEZNQCLSA-N -1 0 310.419 2.266 50 30 DEEARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000048566838 424834225 /nfs/dbraw/zinc/83/42/25/424834225.db2.gz ICGOXXNPURFGSJ-MRVPVSSYSA-N -1 0 316.335 2.295 50 30 DEEARM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135846 424835587 /nfs/dbraw/zinc/83/55/87/424835587.db2.gz ZMNUDEJGDYBHEB-IMTBSYHQSA-N -1 0 319.180 2.145 50 30 DEEARM C=CCn1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)c2ccccc21 ZINC000122912064 424854432 /nfs/dbraw/zinc/85/44/32/424854432.db2.gz BBRHVOVGXDLHJJ-UHFFFAOYSA-N -1 0 324.340 2.361 50 30 DEEARM N#CC1=C([O-])C(=CNc2ncccn2)C(=O)C[C@H]1c1ccccc1 ZINC000100938264 303166651 /nfs/dbraw/zinc/16/66/51/303166651.db2.gz DVWSQFWGIWCRDF-OUEDUXPRSA-N -1 0 318.336 2.238 50 30 DEEARM COc1ccc(O)c(/C=C/C(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000004012198 625219262 /nfs/dbraw/zinc/21/92/62/625219262.db2.gz IJKURMFEWFVPEW-HWKANZROSA-N -1 0 302.282 2.264 50 30 DEEARM C#CCCC1(CCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)N=N1 ZINC000952876185 792791588 /nfs/dbraw/zinc/79/15/88/792791588.db2.gz FBNPPUDIRFSYAM-AWEZNQCLSA-N -1 0 305.378 2.492 50 30 DEEARM C#CCCC1(CCC(=O)N2CCc3occc3[C@@H]2C(=O)[O-])N=N1 ZINC000952880386 792794752 /nfs/dbraw/zinc/79/47/52/792794752.db2.gz JZQRDDHGLCDWKW-CQSZACIVSA-N -1 0 315.329 2.146 50 30 DEEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000104820637 799472833 /nfs/dbraw/zinc/47/28/33/799472833.db2.gz YIMPROZARJCBEF-LEXSJLIMSA-N -1 0 300.310 2.232 50 30 DEEARM CCOC([O-])=NC(O)=C(C#N)C=NOCc1ccc(Cl)cc1 ZINC000004039625 181065779 /nfs/dbraw/zinc/06/57/79/181065779.db2.gz INAGMFWYXNBLDA-SXGUVYOMSA-N -1 0 323.736 2.255 50 30 DEEARM COc1cc(C=NNc2ccc(S(=O)(=O)[O-])cc2)ccc1O ZINC000004955697 181178794 /nfs/dbraw/zinc/17/87/94/181178794.db2.gz HTTZIOZJNJTRKO-OQLLNIDSSA-N -1 0 322.342 2.094 50 30 DEEARM CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccc(F)cc1 ZINC000154160922 355941434 /nfs/dbraw/zinc/94/14/34/355941434.db2.gz FMSVBRJUFPAIKO-CYBMUJFWSA-N -1 0 312.366 2.069 50 30 DEEARM CCn1nc(C)c(/C=C/C(=O)c2c([O-])cc(C)oc2=O)c1C ZINC000020607126 182237704 /nfs/dbraw/zinc/23/77/04/182237704.db2.gz NWTPDUKWLQKFDL-VOTSOKGWSA-N -1 0 302.330 2.383 50 30 DEEARM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(C)c1O ZINC000105640157 194117339 /nfs/dbraw/zinc/11/73/39/194117339.db2.gz SUYAEGIMQJUTEY-XVWMLYKFSA-N -1 0 300.310 2.237 50 30 DEEARM C/C(=N\Cc1cccc(Cl)c1)c1c([O-])[nH]c(=O)sc1=O ZINC000225331691 257274420 /nfs/dbraw/zinc/27/44/20/257274420.db2.gz ZQMVLIQCLMCDFL-VIZOYTHASA-N -1 0 310.762 2.165 50 30 DEEARM Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000071892488 401693634 /nfs/dbraw/zinc/69/36/34/401693634.db2.gz KWFVQEBMVWOORA-CQSZACIVSA-N -1 0 311.403 2.393 50 30 DEEARM CNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000000544912 401700514 /nfs/dbraw/zinc/70/05/14/401700514.db2.gz DJWJKGVSCQVWJU-LZYBPNLTSA-N -1 0 303.343 2.073 50 30 DEEARM COc1ccc(-c2nc(SC)[n-]c(=O)c2C#N)cc1OC ZINC000035548539 401900190 /nfs/dbraw/zinc/90/01/90/401900190.db2.gz WVFFISVCFKDESB-UHFFFAOYSA-N -1 0 303.343 2.048 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccccc1Br ZINC000071850163 402288038 /nfs/dbraw/zinc/28/80/38/402288038.db2.gz MVGMTGTWUXINQF-IUCAKERBSA-N -1 0 318.192 2.469 50 30 DEEARM Cn1cc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000071859267 402289724 /nfs/dbraw/zinc/28/97/24/402289724.db2.gz NUOIWPJHSAFGIR-OLZOCXBDSA-N -1 0 323.349 2.008 50 30 DEEARM C#CCCS(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000225855810 402324969 /nfs/dbraw/zinc/32/49/69/402324969.db2.gz IXMNTBHUDYBGAY-UHFFFAOYSA-N -1 0 323.389 2.107 50 30 DEEARM CC1=C(C#N)C(=O)N(C)C(=O)C1=NNc1cccc(C(=O)[O-])c1 ZINC000252624359 402659369 /nfs/dbraw/zinc/65/93/69/402659369.db2.gz PMFQNXXOLBUSKV-UHFFFAOYSA-N -1 0 312.285 2.385 50 30 DEEARM Cc1nc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1C#N ZINC000299741907 229377791 /nfs/dbraw/zinc/37/77/91/229377791.db2.gz HRKDIRBCESVHCV-ZDUSSCGKSA-N -1 0 301.346 2.121 50 30 DEEARM N#Cc1ccc(OCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000299742162 229379532 /nfs/dbraw/zinc/37/95/32/229379532.db2.gz ICCCMCDJDMOVAR-AWEZNQCLSA-N -1 0 316.357 2.183 50 30 DEEARM N#Cc1ccc(OCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000299745493 229387229 /nfs/dbraw/zinc/38/72/29/229387229.db2.gz ZPCQPDCICBRYFC-HNNXBMFYSA-N -1 0 322.320 2.152 50 30 DEEARM CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)[nH]n1 ZINC000048588584 424834562 /nfs/dbraw/zinc/83/45/62/424834562.db2.gz YRBATNRPZXJVAL-UHFFFAOYSA-N -1 0 311.338 2.195 50 30 DEEARM CC[C@H]1CCc2c(C#N)c(NC(=O)COCC(=O)[O-])sc2C1 ZINC000017056041 288248497 /nfs/dbraw/zinc/24/84/97/288248497.db2.gz QERJCAMVYMMSDH-VIFPVBQESA-N -1 0 322.386 2.174 50 30 DEEARM CN1CCC[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1=O ZINC000331234313 289973932 /nfs/dbraw/zinc/97/39/32/289973932.db2.gz KOTFFIDUWYCNAI-JTQLQIEISA-N -1 0 300.717 2.110 50 30 DEEARM CC(C)CCS(=O)(=O)[N-]C(=O)c1cccc2c1OCCO2 ZINC000078985845 519676159 /nfs/dbraw/zinc/67/61/59/519676159.db2.gz OJQCVYYLDZWHKJ-UHFFFAOYSA-N -1 0 313.375 2.138 50 30 DEEARM COc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000241297 524926188 /nfs/dbraw/zinc/92/61/88/524926188.db2.gz PXTSMBHSHKSXHJ-UHFFFAOYSA-N -1 0 321.354 2.419 50 30 DEEARM CCOC(=O)c1c(C)[nH]c(C([O-])=C(C#N)C(=O)C2CC2)c1C ZINC000103264385 528123973 /nfs/dbraw/zinc/12/39/73/528123973.db2.gz ZEDQQWGBZYPDPJ-LLVKDONJSA-N -1 0 302.330 2.110 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2c(C#N)c(C)nn2C)sc1C ZINC000585129252 790323930 /nfs/dbraw/zinc/32/39/30/790323930.db2.gz CUPWNPFYUBZSIC-UHFFFAOYSA-N -1 0 310.404 2.079 50 30 DEEARM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)c(O)c1O ZINC000003909050 181056717 /nfs/dbraw/zinc/05/67/17/181056717.db2.gz GJPJUKYQGUSUOO-PXNMLYILSA-N -1 0 302.286 2.338 50 30 DEEARM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000074932489 191389866 /nfs/dbraw/zinc/38/98/66/191389866.db2.gz DODYRMMXJRMPRL-UHFFFAOYSA-N -1 0 302.311 2.088 50 30 DEEARM C#CCOc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000017150121 182078041 /nfs/dbraw/zinc/07/80/41/182078041.db2.gz SMWILCCXMADPPS-LGMDPLHJSA-N -1 0 318.332 2.160 50 30 DEEARM C=CCN1C(=O)[N-]C(=O)C(=C(CC)Nc2ccccc2F)C1=O ZINC000018120150 182094060 /nfs/dbraw/zinc/09/40/60/182094060.db2.gz GZUMMLODGNUPKF-ACCUITESSA-N -1 0 317.320 2.166 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccccc1OC ZINC000019810551 182152613 /nfs/dbraw/zinc/15/26/13/182152613.db2.gz JYIAQFDORQRTTR-UHFFFAOYSA-N -1 0 305.359 2.316 50 30 DEEARM Cn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000156288674 197101609 /nfs/dbraw/zinc/10/16/09/197101609.db2.gz QLLOIVZJEIWRJM-UHFFFAOYSA-N -1 0 324.431 2.452 50 30 DEEARM CC(C)(O)C#Cc1ccc(C(=O)NCCCCCC(=O)[O-])s1 ZINC000004685971 257265908 /nfs/dbraw/zinc/26/59/08/257265908.db2.gz BYDNGYPJXSSTAM-UHFFFAOYSA-N -1 0 323.414 2.245 50 30 DEEARM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000012526437 401787205 /nfs/dbraw/zinc/78/72/05/401787205.db2.gz RGRLUSOMJDSZKN-UHFFFAOYSA-N -1 0 315.350 2.475 50 30 DEEARM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2F)n1 ZINC000095941026 402035153 /nfs/dbraw/zinc/03/51/53/402035153.db2.gz AWRDNRPUHMSSKN-UHFFFAOYSA-N -1 0 322.365 2.417 50 30 DEEARM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccccc2)c1 ZINC000097083175 402104909 /nfs/dbraw/zinc/10/49/09/402104909.db2.gz VRCWBUXAGIXDQG-UHFFFAOYSA-N -1 0 307.375 2.233 50 30 DEEARM CCOc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)cc1 ZINC000048452728 424833625 /nfs/dbraw/zinc/83/36/25/424833625.db2.gz COYHXUCMCSEBJW-LBPRGKRZSA-N -1 0 313.375 2.300 50 30 DEEARM Cc1nc(CCC(=O)[N-]S(C)(=O)=O)oc1-c1ccccc1 ZINC000078611879 526802894 /nfs/dbraw/zinc/80/28/94/526802894.db2.gz UINGLRPZMDEEJA-UHFFFAOYSA-N -1 0 308.359 2.499 50 30 DEEARM C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)CCC1 ZINC000263228478 527040449 /nfs/dbraw/zinc/04/04/49/527040449.db2.gz RUXHKLJCMMRDCP-CABCVRRESA-N -1 0 321.417 2.461 50 30 DEEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000102603506 684057479 /nfs/dbraw/zinc/05/74/79/684057479.db2.gz YIMPROZARJCBEF-NBUZRDOWSA-N -1 0 300.310 2.232 50 30 DEEARM CCN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1ccn(C)c1 ZINC000095418605 185359501 /nfs/dbraw/zinc/35/95/01/185359501.db2.gz UUBUQXKQIBBCFW-UHFFFAOYSA-N -1 0 321.402 2.097 50 30 DEEARM Cn1cc(-c2cc(-c3cccc(C(=O)[O-])c3)nc(N)c2C#N)cn1 ZINC000071760414 191025465 /nfs/dbraw/zinc/02/54/65/191025465.db2.gz AYZQCCTUYPDYKD-UHFFFAOYSA-N -1 0 319.324 2.301 50 30 DEEARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C)n2)cc1 ZINC000079733346 355327460 /nfs/dbraw/zinc/32/74/60/355327460.db2.gz IBXHKQCNSCSOOM-UHFFFAOYSA-N -1 0 306.343 2.092 50 30 DEEARM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C1=CCCCC1 ZINC000124318161 355808671 /nfs/dbraw/zinc/80/86/71/355808671.db2.gz ALGRUWWVYMAGQH-UHFFFAOYSA-N -1 0 304.371 2.172 50 30 DEEARM N#Cc1cccc(CS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000020010892 182177576 /nfs/dbraw/zinc/17/75/76/182177576.db2.gz FRFPVSULJOMVDY-UHFFFAOYSA-N -1 0 301.323 2.230 50 30 DEEARM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000289246 401693564 /nfs/dbraw/zinc/69/35/64/401693564.db2.gz DLPVEABMNTZURH-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM O=C([O-])c1ccc(COc2ccccc2/C=N/n2cnnc2)cc1 ZINC000000534123 401700774 /nfs/dbraw/zinc/70/07/74/401700774.db2.gz PJDSGWBMDKGMOD-AWQFTUOYSA-N -1 0 322.324 2.438 50 30 DEEARM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000000565094 401701047 /nfs/dbraw/zinc/70/10/47/401701047.db2.gz YLVKBAQHVPJRIE-GIDUJCDVSA-N -1 0 302.281 2.476 50 30 DEEARM COc1ccc(-c2nn(CCC#N)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000038342478 401923129 /nfs/dbraw/zinc/92/31/29/401923129.db2.gz SXARDDOOSDGYBC-UHFFFAOYSA-N -1 0 316.273 2.079 50 30 DEEARM COc1ccc(-c2[n-][nH]c(=O)c2N=Nc2cccc(OC)c2)cc1 ZINC000049033769 402010728 /nfs/dbraw/zinc/01/07/28/402010728.db2.gz HGOPLFLDDUEUQT-UHFFFAOYSA-N -1 0 324.340 2.006 50 30 DEEARM CCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000097164005 402113505 /nfs/dbraw/zinc/11/35/05/402113505.db2.gz AJDHFLKMVGSYKE-GFCCVEGCSA-N -1 0 314.382 2.345 50 30 DEEARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cn3)ccc2O1 ZINC000069918132 402251140 /nfs/dbraw/zinc/25/11/40/402251140.db2.gz OXBLPEUEIGSCRZ-SNVBAGLBSA-N -1 0 315.354 2.077 50 30 DEEARM N#Cc1ccnc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000170608330 402507055 /nfs/dbraw/zinc/50/70/55/402507055.db2.gz FSLILDAWOFSPQA-UHFFFAOYSA-N -1 0 310.338 2.302 50 30 DEEARM Cc1[nH]c2ccccc2c1C=NN1c2nonc2[N-]c2nonc21 ZINC000252642337 402659730 /nfs/dbraw/zinc/65/97/30/402659730.db2.gz ZLDXCXHRNJNESS-UHFFFAOYSA-N -1 0 322.288 2.472 50 30 DEEARM Cn1ccc(S(=O)(=O)[N-]c2scc(C(C)(C)C)c2C#N)n1 ZINC000864090032 686617625 /nfs/dbraw/zinc/61/76/25/686617625.db2.gz YHDKFRWQSGXASU-UHFFFAOYSA-N -1 0 324.431 2.452 50 30 DEEARM CC[C@H](C)C(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1 ZINC000100700616 529638617 /nfs/dbraw/zinc/63/86/17/529638617.db2.gz OIQSDPNQLIEQBD-WFASDCNBSA-N -1 0 310.357 2.264 50 30 DEEARM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(C)c(F)cc1F ZINC000095407452 185356300 /nfs/dbraw/zinc/35/63/00/185356300.db2.gz VLQNUKYORWKGQL-UHFFFAOYSA-N -1 0 306.334 2.164 50 30 DEEARM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccccn2)cc1F ZINC000084077342 539391836 /nfs/dbraw/zinc/39/18/36/539391836.db2.gz UYSHQSFEJMCMLN-UHFFFAOYSA-N -1 0 312.297 2.362 50 30 DEEARM Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)Cl)cc1 ZINC000002789672 180957652 /nfs/dbraw/zinc/95/76/52/180957652.db2.gz IQUOXPYJSFJFTM-LHHJGKSTSA-N -1 0 304.709 2.443 50 30 DEEARM COc1ccc2c(c1)C(=NNc1cccc(C(=O)[O-])c1)C(=O)N2 ZINC000004184887 181083142 /nfs/dbraw/zinc/08/31/42/181083142.db2.gz ZLZBWTCTBQZPJZ-UHFFFAOYSA-N -1 0 311.297 2.162 50 30 DEEARM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000078554225 191883955 /nfs/dbraw/zinc/88/39/55/191883955.db2.gz XTJGOEHJPPDYDH-ZDUSSCGKSA-N -1 0 324.402 2.210 50 30 DEEARM CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048404376 256536197 /nfs/dbraw/zinc/53/61/97/256536197.db2.gz QYDSEYIWDZNYSC-UHFFFAOYSA-N -1 0 312.391 2.028 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000000206678 401690630 /nfs/dbraw/zinc/69/06/30/401690630.db2.gz WBFADXIPLNWEJG-UHFFFAOYSA-N -1 0 319.338 2.151 50 30 DEEARM CC1(C)CC(=O)C(=CN[C@@H](Cc2ccccc2)C(=O)[O-])C(=O)C1 ZINC000000487483 401699508 /nfs/dbraw/zinc/69/95/08/401699508.db2.gz YZPUGJVDDOEDHV-AWEZNQCLSA-N -1 0 315.369 2.114 50 30 biogenic DEEARM C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000002368063 401713323 /nfs/dbraw/zinc/71/33/23/401713323.db2.gz YBZCFSOHVGOTJJ-XYOKQWHBSA-N -1 0 319.338 2.372 50 30 DEEARM Cc1cc(/N=C/c2ccc([N+](=O)[O-])o2)ccc1S(=O)(=O)[O-] ZINC000002482308 401714160 /nfs/dbraw/zinc/71/41/60/401714160.db2.gz NIAUVJXQFQGQMD-NTUHNPAUSA-N -1 0 310.287 2.494 50 30 DEEARM N#Cc1ccc(SCc2n[nH]c(=O)[n-]2)cc1C(F)(F)F ZINC000096007253 402046426 /nfs/dbraw/zinc/04/64/26/402046426.db2.gz VNDFXWXCIOSQAB-UHFFFAOYSA-N -1 0 300.265 2.281 50 30 DEEARM O=C([O-])C[C@H]1CC(C(=O)c2ccccc2)=C2SCCN2C1=O ZINC000068754982 402204819 /nfs/dbraw/zinc/20/48/19/402204819.db2.gz DZLRINQZFUBGSQ-LLVKDONJSA-N -1 0 317.366 2.151 50 30 DEEARM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CC1 ZINC000225690020 402321968 /nfs/dbraw/zinc/32/19/68/402321968.db2.gz HHAXDKWFLSAQHW-TWGQIWQCSA-N -1 0 324.789 2.373 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000169683222 402501932 /nfs/dbraw/zinc/50/19/32/402501932.db2.gz PWGUDLWXVDLHOV-UHFFFAOYSA-N -1 0 305.359 2.316 50 30 DEEARM CCOCCCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048423604 424832723 /nfs/dbraw/zinc/83/27/23/424832723.db2.gz MPJXXXWATBIRFF-UHFFFAOYSA-N -1 0 316.335 2.057 50 30 DEEARM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)COC1CCCC1 ZINC000048506505 424833963 /nfs/dbraw/zinc/83/39/63/424833963.db2.gz CSCNLGJZFWEFKA-UHFFFAOYSA-N -1 0 322.386 2.304 50 30 DEEARM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000048470697 683916591 /nfs/dbraw/zinc/91/65/91/683916591.db2.gz YGFLWBSFIFPDGC-NTMALXAHSA-N -1 0 323.370 2.459 50 30 DEEARM C=CCCCS(=O)(=O)[N-]c1nnn(-c2ccc(F)cc2)c1C ZINC000585129533 790325965 /nfs/dbraw/zinc/32/59/65/790325965.db2.gz MUMTYMWJPHRNAK-UHFFFAOYSA-N -1 0 324.381 2.423 50 30 DEEARM C#CCCC1(CCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])N=N1 ZINC000952876302 792792291 /nfs/dbraw/zinc/79/22/91/792792291.db2.gz LLXXYCPKQKTWMV-WFASDCNBSA-N -1 0 305.378 2.492 50 30 DEEARM CC(C)n1cc(Br)cc1C(=O)[N-]S(C)(=O)=O ZINC000076758299 185038875 /nfs/dbraw/zinc/03/88/75/185038875.db2.gz YFFVZBHCGZCXQX-UHFFFAOYSA-N -1 0 309.185 2.096 50 30 DEEARM C=CCN(CC(=O)[O-])C(=O)Cc1ccc(Br)cc1 ZINC000092463465 185320228 /nfs/dbraw/zinc/32/02/28/185320228.db2.gz VJCVMKOSGRVBOH-UHFFFAOYSA-N -1 0 312.163 2.091 50 30 DEEARM COC(=O)CCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000005290531 181226903 /nfs/dbraw/zinc/22/69/03/181226903.db2.gz PGLVXNJBRDLFQG-VGOFMYFVSA-N -1 0 300.698 2.326 50 30 DEEARM C=CCNC(=O)c1c(-c2ccc(F)cc2)[n-]n(C(C)C)c1=O ZINC000252535917 202863275 /nfs/dbraw/zinc/86/32/75/202863275.db2.gz HEDBSTXOPQRWBB-UHFFFAOYSA-N -1 0 303.337 2.479 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cscn1 ZINC000095349739 193424995 /nfs/dbraw/zinc/42/49/95/193424995.db2.gz HHCJMROVBONWFO-UHFFFAOYSA-N -1 0 304.299 2.115 50 30 DEEARM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000078554229 401855691 /nfs/dbraw/zinc/85/56/91/401855691.db2.gz XTJGOEHJPPDYDH-CYBMUJFWSA-N -1 0 324.402 2.210 50 30 DEEARM CS(=O)(=O)[N-]C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000078556442 401856030 /nfs/dbraw/zinc/85/60/30/401856030.db2.gz SHIFBGOJSMRHDQ-UHFFFAOYSA-N -1 0 308.384 2.497 50 30 DEEARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000096433491 402085750 /nfs/dbraw/zinc/08/57/50/402085750.db2.gz TXJGXUMJTZHAEI-UHFFFAOYSA-N -1 0 304.375 2.380 50 30 DEEARM Cc1cc([O-])c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)o1 ZINC000100742359 402142429 /nfs/dbraw/zinc/14/24/29/402142429.db2.gz BQSRHXRJUCISMQ-DUXPYHPUSA-N -1 0 300.266 2.279 50 30 biogenic DEEARM CCOc1ccc(S(=O)(=O)NN=Cc2ccccc2O)cc1 ZINC000254874520 402671610 /nfs/dbraw/zinc/67/16/10/402671610.db2.gz HTFUSSUWITZVBZ-UHFFFAOYSA-N -1 0 320.370 2.103 50 30 DEEARM C=CCn1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)c1C ZINC000426495585 405364044 /nfs/dbraw/zinc/36/40/44/405364044.db2.gz IPCSXXMTGWONLE-CYBMUJFWSA-N -1 0 307.394 2.305 50 30 DEEARM COc1ccccc1OCCN1c2ccccc2/C(=N/[O-])C1=O ZINC000046085071 424818941 /nfs/dbraw/zinc/81/89/41/424818941.db2.gz DZBSTLXJPVCBPD-VLGSPTGOSA-N -1 0 312.325 2.299 50 30 DEEARM C=C(C)CN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102712402 424848086 /nfs/dbraw/zinc/84/80/86/424848086.db2.gz HHVJLQSFCOUJPX-UHFFFAOYSA-N -1 0 317.414 2.260 50 30 DEEARM C=CCOc1ccccc1CNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263166584 526938114 /nfs/dbraw/zinc/93/81/14/526938114.db2.gz CQCOJDIDNNRHSC-UHFFFAOYSA-N -1 0 318.373 2.258 50 30 DEEARM Cc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(C)c1O ZINC000102500271 684057352 /nfs/dbraw/zinc/05/73/52/684057352.db2.gz SUYAEGIMQJUTEY-MBVDDHJVSA-N -1 0 300.310 2.237 50 30 DEEARM CCCn1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O ZINC000003887030 181053181 /nfs/dbraw/zinc/05/31/81/181053181.db2.gz DAANZFZSABSQKF-UHFFFAOYSA-N -1 0 300.289 2.206 50 30 DEEARM Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2ccncc2)cc1 ZINC000019878355 354045392 /nfs/dbraw/zinc/04/53/92/354045392.db2.gz PWKNOVVYQXMVFD-UHFFFAOYSA-N -1 0 306.343 2.210 50 30 DEEARM Cn1cccc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000078556603 191885091 /nfs/dbraw/zinc/88/50/91/191885091.db2.gz WZADXNHGDUYHAP-UHFFFAOYSA-N -1 0 319.386 2.027 50 30 DEEARM COc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(C3CC3)c2)c1 ZINC000005861902 181290544 /nfs/dbraw/zinc/29/05/44/181290544.db2.gz VQXUKOIAVIVBSW-UHFFFAOYSA-N -1 0 310.309 2.000 50 30 DEEARM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000006316557 181329479 /nfs/dbraw/zinc/32/94/79/181329479.db2.gz CGAGIKPAEVKZBH-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc2c(c1)CCCC2 ZINC000096446458 193649881 /nfs/dbraw/zinc/64/98/81/193649881.db2.gz GCGKNDOQFMUNKI-UHFFFAOYSA-N -1 0 320.370 2.388 50 30 DEEARM O=C([O-])c1ccc(CNC=C2C(=O)c3ccccc3C2=O)cc1 ZINC000018146058 182094555 /nfs/dbraw/zinc/09/45/55/182094555.db2.gz JTLJKWJBIPWQLJ-UHFFFAOYSA-N -1 0 307.305 2.438 50 30 DEEARM COc1ccc(-c2cnc(CCC(=O)[N-]S(C)(=O)=O)o2)cc1 ZINC000064099671 533185082 /nfs/dbraw/zinc/18/50/82/533185082.db2.gz DXPGMPBEWGCWFH-UHFFFAOYSA-N -1 0 324.358 2.199 50 30 DEEARM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1ccccn1 ZINC000076020517 401778022 /nfs/dbraw/zinc/77/80/22/401778022.db2.gz BRKUERONKISTOZ-SNVBAGLBSA-N -1 0 307.338 2.485 50 30 DEEARM N#Cc1cccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000047202290 401979660 /nfs/dbraw/zinc/97/96/60/401979660.db2.gz JWWVOHDJXWUUAY-UHFFFAOYSA-N -1 0 320.301 2.196 50 30 DEEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000097114346 402109461 /nfs/dbraw/zinc/10/94/61/402109461.db2.gz IQEPDEINHZHOFP-UHFFFAOYSA-N -1 0 322.777 2.419 50 30 DEEARM N#Cc1ccc([O-])c(NC(=O)c2cnc(C3OCCO3)s2)c1 ZINC000253407765 402664265 /nfs/dbraw/zinc/66/42/65/402664265.db2.gz KJYYQLRTDXAGQW-UHFFFAOYSA-N -1 0 317.326 2.018 50 30 DEEARM N#CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCC1 ZINC000262777014 225283254 /nfs/dbraw/zinc/28/32/54/225283254.db2.gz ATKPTNZFFORYMX-HUUCEWRRSA-N -1 0 312.369 2.397 50 30 DEEARM CC[C@H](C)C(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1 ZINC000100700612 424846277 /nfs/dbraw/zinc/84/62/77/424846277.db2.gz OIQSDPNQLIEQBD-SWLSCSKDSA-N -1 0 310.357 2.264 50 30 DEEARM CCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCCC2)cc1 ZINC000103502451 424848631 /nfs/dbraw/zinc/84/86/31/424848631.db2.gz UICZBMLQJNUYSB-HNNXBMFYSA-N -1 0 300.358 2.420 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000089971957 185272664 /nfs/dbraw/zinc/27/26/64/185272664.db2.gz MVZNNLWBMYPEJX-LBPRGKRZSA-N -1 0 310.419 2.130 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000000616855 180830074 /nfs/dbraw/zinc/83/00/74/180830074.db2.gz KQGRZHFVXCYDSR-UHFFFAOYSA-N -1 0 306.299 2.288 50 30 DEEARM N#Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004674055 181134833 /nfs/dbraw/zinc/13/48/33/181134833.db2.gz YGAGSWUHLUDMKG-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM CNC(=S)N/N=C\c1ccc(-c2cc(C(=O)[O-])ccc2C)o1 ZINC000004680458 181135961 /nfs/dbraw/zinc/13/59/61/181135961.db2.gz LUVYEMGKEDEFHU-IUXPMGMMSA-N -1 0 317.370 2.381 50 30 DEEARM O=[N+]([O-])c1cc(/C=N/c2ncccc2O)c([O-])c([N+](=O)[O-])c1 ZINC000003114045 401721916 /nfs/dbraw/zinc/72/19/16/401721916.db2.gz HBEJFMMXRWJVCQ-MKMNVTDBSA-N -1 0 304.218 2.060 50 30 DEEARM Cc1ccccc1CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000071892485 401693245 /nfs/dbraw/zinc/69/32/45/401693245.db2.gz KWFVQEBMVWOORA-AWEZNQCLSA-N -1 0 311.403 2.393 50 30 DEEARM C=C(Cl)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013237480 401798414 /nfs/dbraw/zinc/79/84/14/401798414.db2.gz QWJCIGZSSKWEAU-ZDUSSCGKSA-N -1 0 321.764 2.215 50 30 DEEARM N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000012532553 401786819 /nfs/dbraw/zinc/78/68/19/401786819.db2.gz UAJCXDLURPNLKN-UHFFFAOYSA-N -1 0 302.311 2.057 50 30 DEEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000096404472 402078517 /nfs/dbraw/zinc/07/85/17/402078517.db2.gz VBIXUWNNBIWLMJ-JXMROGBWSA-N -1 0 311.359 2.475 50 30 DEEARM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccnc1Cl ZINC000101372623 424846628 /nfs/dbraw/zinc/84/66/28/424846628.db2.gz FTTOKSCELWFYPB-JTQLQIEISA-N -1 0 300.705 2.091 50 30 DEEARM COc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000103503503 424848700 /nfs/dbraw/zinc/84/87/00/424848700.db2.gz XIHRQYARGKXGHE-MRXNPFEDSA-N -1 0 308.337 2.334 50 30 DEEARM Cc1c(C#N)c([N-]S(=O)(=O)c2ccc(C)cc2C)nn1C ZINC000585129650 790325026 /nfs/dbraw/zinc/32/50/26/790325026.db2.gz QJBIRCNLCLTACT-UHFFFAOYSA-N -1 0 304.375 2.018 50 30 DEEARM CCc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000004198938 181084782 /nfs/dbraw/zinc/08/47/82/181084782.db2.gz VXRHZRFQPWQDJW-UDPFGDFPSA-N -1 0 319.386 2.035 50 30 DEEARM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000084325753 401904826 /nfs/dbraw/zinc/90/48/26/401904826.db2.gz ASIVIDBTVHMONX-UHFFFAOYSA-N -1 0 322.365 2.450 50 30 DEEARM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000096001684 402045270 /nfs/dbraw/zinc/04/52/70/402045270.db2.gz UAZQKWWGFXVJOK-UHFFFAOYSA-N -1 0 306.347 2.040 50 30 DEEARM Cc1cc(C(=O)[N-]S(=O)(=O)CCCC#N)c(C)n1C1CC1 ZINC000097049134 402102910 /nfs/dbraw/zinc/10/29/10/402102910.db2.gz VLCJUSHVLYXPOJ-UHFFFAOYSA-N -1 0 309.391 2.378 50 30 DEEARM N#Cc1c[nH]c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000097375917 402123592 /nfs/dbraw/zinc/12/35/92/402123592.db2.gz AEPQCXHPCPYMQN-UHFFFAOYSA-N -1 0 306.665 2.406 50 30 DEEARM Cc1c(/C=C/C(=O)c2cc3ccc([O-])cc3oc2=O)cnn1C ZINC000390834911 227223351 /nfs/dbraw/zinc/22/33/51/227223351.db2.gz QQICCQWJFTZKMC-GQCTYLIASA-N -1 0 310.309 2.437 50 30 DEEARM CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000048490131 424834099 /nfs/dbraw/zinc/83/40/99/424834099.db2.gz DLGOEWJLJNWSFK-UHFFFAOYSA-N -1 0 324.358 2.384 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)cc2C)n1 ZINC000103707970 424848737 /nfs/dbraw/zinc/84/87/37/424848737.db2.gz HAHSUXPEDZJNJF-GFCCVEGCSA-N -1 0 313.382 2.495 50 30 DEEARM C[C@@H](Oc1ccccc1Br)C(=O)[N-]S(C)(=O)=O ZINC000079029108 185147242 /nfs/dbraw/zinc/14/72/42/185147242.db2.gz HWOBWMKJGXNSOW-SSDOTTSWSA-N -1 0 322.180 2.133 50 30 DEEARM COc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)cc1OC ZINC000079037025 185147979 /nfs/dbraw/zinc/14/79/79/185147979.db2.gz NHMDJZUVISTKPT-UHFFFAOYSA-N -1 0 315.391 2.384 50 30 DEEARM Cc1ccc(-c2n[nH]c(N)c2N=Nc2cccc(C(=O)[O-])c2)cc1 ZINC000016949245 182065846 /nfs/dbraw/zinc/06/58/46/182065846.db2.gz WQEGBFFMANWRQX-UHFFFAOYSA-N -1 0 321.340 2.446 50 30 DEEARM N#CCOc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000018895592 182102444 /nfs/dbraw/zinc/10/24/44/182102444.db2.gz DCPBUAVVYKUTDZ-UHFFFAOYSA-N -1 0 313.338 2.261 50 30 DEEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4cccnc4)c3=O)c2c1 ZINC000000501549 401699712 /nfs/dbraw/zinc/69/97/12/401699712.db2.gz QVCVUXICEUFYBL-DJKKODMXSA-N -1 0 319.324 2.169 50 30 DEEARM Cc1cc([O-])c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(=O)o1 ZINC000013125147 401797024 /nfs/dbraw/zinc/79/70/24/401797024.db2.gz VIJRQPQWTZYIJO-AATRIKPKSA-N -1 0 301.254 2.458 50 30 DEEARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000009116219 401759569 /nfs/dbraw/zinc/75/95/69/401759569.db2.gz YEUKPAKSMOIRGB-UHFFFAOYSA-N -1 0 322.367 2.207 50 30 DEEARM N#CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000012630981 401789510 /nfs/dbraw/zinc/78/95/10/401789510.db2.gz OIUFTKFJXRFMCM-UHFFFAOYSA-N -1 0 322.367 2.229 50 30 DEEARM CCCCCCCCCCOC(=O)[C@@H](C)NCS(=O)(=O)[O-] ZINC000097972984 402133951 /nfs/dbraw/zinc/13/39/51/402133951.db2.gz SCJBPQRLOGOKDX-CYBMUJFWSA-N -1 0 323.455 2.494 50 30 DEEARM CCC(=O)C1=C(N[C@@H](C)C(=O)[O-])C[C@@H](c2ccccc2)CC1=O ZINC000100951972 402143339 /nfs/dbraw/zinc/14/33/39/402143339.db2.gz FDPQVGKSANZLHZ-WCQYABFASA-N -1 0 315.369 2.429 50 30 DEEARM CCOC(=O)c1ccc(C/C(=N\[O-])c2ccc(O)cc2O)o1 ZINC000103613984 402193138 /nfs/dbraw/zinc/19/31/38/402193138.db2.gz FXMZORIQNOXYIA-FOWTUZBSSA-N -1 0 305.286 2.289 50 30 DEEARM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cocn1 ZINC000105758102 402209005 /nfs/dbraw/zinc/20/90/05/402209005.db2.gz STXNNWTYRBFYCD-MRVPVSSYSA-N -1 0 307.668 2.428 50 30 DEEARM C=CCn1nc2c(c1C(=O)[O-])CN(C(=O)OC(C)(C)C)CC2 ZINC000071257053 402271600 /nfs/dbraw/zinc/27/16/00/402271600.db2.gz QBDYDNLUQCTXGO-UHFFFAOYSA-N -1 0 307.350 2.061 50 30 DEEARM CC(C)NC(=S)NN=Cc1cc(Br)ccc1O ZINC000254836205 402671605 /nfs/dbraw/zinc/67/16/05/402671605.db2.gz QDDHNSOBCFFRNK-UHFFFAOYSA-N -1 0 316.224 2.361 50 30 DEEARM CCOC(=O)C(=N[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000263630624 402785482 /nfs/dbraw/zinc/78/54/82/402785482.db2.gz QZLRGQORTLZBCZ-UHFFFAOYSA-N -1 0 305.309 2.370 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cc2cc(C(F)(F)F)ccc2n1C ZINC000101372588 424846441 /nfs/dbraw/zinc/84/64/41/424846441.db2.gz CKXMVPFOSFVKCJ-JTQLQIEISA-N -1 0 323.274 2.266 50 30 DEEARM CC(C)c1csc(C(C#N)=C([O-])c2ccn(C)c(=O)c2)n1 ZINC000080456755 519857010 /nfs/dbraw/zinc/85/70/10/519857010.db2.gz YJZLRFHDCPIFTF-NSHDSACASA-N -1 0 301.371 2.455 50 30 DEEARM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000068335829 525898633 /nfs/dbraw/zinc/89/86/33/525898633.db2.gz HDQSCDSFPKEJQQ-JTQLQIEISA-N -1 0 308.359 2.019 50 30 DEEARM O=[N+]([O-])c1ccc([O-])c(C=NNC(=S)NC2CCCCC2)c1 ZINC000263622565 640438326 /nfs/dbraw/zinc/43/83/26/640438326.db2.gz RQJFGVCMWPRFGW-UHFFFAOYSA-N -1 0 322.390 2.431 50 30 DEEARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)c2cccc(C)n2)s1 ZINC000083150698 539388661 /nfs/dbraw/zinc/38/86/61/539388661.db2.gz BFZNINIGPXWZCB-UHFFFAOYSA-N -1 0 311.388 2.157 50 30 DEEARM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004103715 181073318 /nfs/dbraw/zinc/07/33/18/181073318.db2.gz DBBBUUKKTZRZFK-UHFFFAOYSA-N -1 0 306.299 2.288 50 30 DEEARM CC[C@H](C(=O)[N-]S(=O)(=O)CCCC#N)c1ccc(F)cc1 ZINC000154160788 355941240 /nfs/dbraw/zinc/94/12/40/355941240.db2.gz FMSVBRJUFPAIKO-ZDUSSCGKSA-N -1 0 312.366 2.069 50 30 DEEARM N#CCc1cccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000095969940 193466547 /nfs/dbraw/zinc/46/65/47/193466547.db2.gz QZDFTEQPXSZSEN-UHFFFAOYSA-N -1 0 308.337 2.480 50 30 DEEARM COC(=O)[C@H]1C([O-])=C(C=Nc2ccccc2)C(=O)CC1(C)C ZINC000100671848 291808566 /nfs/dbraw/zinc/80/85/66/291808566.db2.gz NEUPJYPNCIZVOQ-GAJOTYCWSA-N -1 0 301.342 2.340 50 30 DEEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2ccc(O)cc2)c1 ZINC000000234649 304263258 /nfs/dbraw/zinc/26/32/58/304263258.db2.gz CEYFPWNCTCBWML-CXUHLZMHSA-N -1 0 315.354 2.411 50 30 DEEARM N#CCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000328842 401694701 /nfs/dbraw/zinc/69/47/01/401694701.db2.gz SVEDADKSGUZFOI-UHFFFAOYSA-N -1 0 317.326 2.462 50 30 DEEARM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c(O)c1 ZINC000001303388 401705210 /nfs/dbraw/zinc/70/52/10/401705210.db2.gz ABCKMQFBVZBWHS-VGOFMYFVSA-N -1 0 302.315 2.494 50 30 DEEARM O=c1[n-]c(=O)c(NN=Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000013304097 401798120 /nfs/dbraw/zinc/79/81/20/401798120.db2.gz NEOXMWYJCKBAJJ-YIXHJXPBSA-N -1 0 300.105 2.036 50 30 DEEARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000009468201 401762913 /nfs/dbraw/zinc/76/29/13/401762913.db2.gz PWNOVOJMJLDTGN-UHFFFAOYSA-N -1 0 315.354 2.317 50 30 DEEARM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c(F)cc1F ZINC000084505036 401906136 /nfs/dbraw/zinc/90/61/36/401906136.db2.gz IKXXXCAODHZTNS-UHFFFAOYSA-N -1 0 309.297 2.341 50 30 DEEARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000096452595 402090349 /nfs/dbraw/zinc/09/03/49/402090349.db2.gz HVXRFXXQOFXMKB-FZMZJTMJSA-N -1 0 319.386 2.233 50 30 DEEARM CCc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)nc(C)n1 ZINC000097137642 402110310 /nfs/dbraw/zinc/11/03/10/402110310.db2.gz QJYFDWKWGKQHDB-UHFFFAOYSA-N -1 0 302.359 2.020 50 30 DEEARM COc1ccc(OC)c(NC=CC([O-])=C2C(=O)CCCC2=O)c1 ZINC000100331455 402140963 /nfs/dbraw/zinc/14/09/63/402140963.db2.gz MXHIOHOEIPUUHT-HJWRWDBZSA-N -1 0 317.341 2.137 50 30 DEEARM CCc1ccc(C(C)=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000252632863 402659603 /nfs/dbraw/zinc/65/96/03/402659603.db2.gz VXRHZRFQPWQDJW-GFCCVEGCSA-N -1 0 319.386 2.035 50 30 DEEARM N#Cc1ccc(OCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000299741356 229376760 /nfs/dbraw/zinc/37/67/60/229376760.db2.gz FGSJLQNILFAMKB-CQSZACIVSA-N -1 0 316.357 2.040 50 30 DEEARM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)COC2CCCC2)cc1 ZINC000048508924 424833807 /nfs/dbraw/zinc/83/38/07/424833807.db2.gz IFQGDPGFUJGLMK-UHFFFAOYSA-N -1 0 322.386 2.304 50 30 DEEARM Cn1cc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)cn1 ZINC000048676129 424834751 /nfs/dbraw/zinc/83/47/51/424834751.db2.gz ZFQLHYXVFYWAPA-UHFFFAOYSA-N -1 0 319.386 2.187 50 30 DEEARM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328587810 278255724 /nfs/dbraw/zinc/25/57/24/278255724.db2.gz IIFBMSBFFGWVBD-VHSXEESVSA-N -1 0 322.327 2.454 50 30 DEEARM Cc1ccc(S(=O)([O-])=NC(=O)NCc2cccc(C)n2)cc1 ZINC000071769445 525484078 /nfs/dbraw/zinc/48/40/78/525484078.db2.gz ULGXZCHBYZRVBA-UHFFFAOYSA-N -1 0 319.386 2.091 50 30 DEEARM COc1cccc(NC(=O)N=S(=O)([O-])c2cccs2)c1 ZINC000071769444 526138852 /nfs/dbraw/zinc/13/88/52/526138852.db2.gz XKSXNGLCVUMBFB-UHFFFAOYSA-N -1 0 312.372 2.472 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)c1 ZINC000058187783 526243407 /nfs/dbraw/zinc/24/34/07/526243407.db2.gz UHGGNZVUHHSCHM-NSHDSACASA-N -1 0 313.375 2.300 50 30 DEEARM NC(=NC(=O)c1cc(Cl)ccc1[O-])NCc1ccccc1 ZINC000025579624 526805451 /nfs/dbraw/zinc/80/54/51/526805451.db2.gz VASFJKKEVLBNNO-UHFFFAOYSA-N -1 0 303.749 2.290 50 30 DEEARM C#CCCC1(CCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])N=N1 ZINC000952876299 792792246 /nfs/dbraw/zinc/79/22/46/792792246.db2.gz LLXXYCPKQKTWMV-DOMZBBRYSA-N -1 0 305.378 2.492 50 30 DEEARM C#CCCC1(CCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)N=N1 ZINC000952881493 792796361 /nfs/dbraw/zinc/79/63/61/792796361.db2.gz OQRDGAFWPFKBGV-LBPRGKRZSA-N -1 0 303.362 2.055 50 30 DEEARM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 ZINC000095409829 185356986 /nfs/dbraw/zinc/35/69/86/185356986.db2.gz APVTUMWARNNEBA-UHFFFAOYSA-N -1 0 321.402 2.411 50 30 DEEARM N#Cc1cc2c([n-]c1=O)CCN(C(=O)c1cc3ccccc3o1)C2 ZINC000225680844 186288638 /nfs/dbraw/zinc/28/86/38/186288638.db2.gz SGFFLPFTNKCBFD-UHFFFAOYSA-N -1 0 319.320 2.191 50 30 DEEARM O=C([O-])c1cccc(/C=N/NC(=S)Nc2ccccc2)c1O ZINC000000437297 180790564 /nfs/dbraw/zinc/79/05/64/180790564.db2.gz RHGLEFTZMNIMFS-CXUHLZMHSA-N -1 0 315.354 2.411 50 30 DEEARM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc2c(c1)OCO2 ZINC000058072094 184073153 /nfs/dbraw/zinc/07/31/53/184073153.db2.gz VKRZTYQBAHHLQU-UHFFFAOYSA-N -1 0 311.359 2.382 50 30 DEEARM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n(C)n1 ZINC000066247854 184398927 /nfs/dbraw/zinc/39/89/27/184398927.db2.gz NLDSSWDAILHPAX-UHFFFAOYSA-N -1 0 310.766 2.054 50 30 DEEARM O=[N+]([O-])c1cccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c1 ZINC000002544676 401714886 /nfs/dbraw/zinc/71/48/86/401714886.db2.gz MJTMKXSFTRVSNR-LHHJGKSTSA-N -1 0 317.252 2.376 50 30 DEEARM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000067000951 402150042 /nfs/dbraw/zinc/15/00/42/402150042.db2.gz UCXQIHLTNKVEAW-MRVPVSSYSA-N -1 0 318.376 2.239 50 30 DEEARM Cc1cc(Cl)c2ncc(C#N)c(NC[C@@](C)(O)C(=O)[O-])c2c1 ZINC000263541513 402779607 /nfs/dbraw/zinc/77/96/07/402779607.db2.gz DCGWYOHYDKHWOZ-OAHLLOKOSA-N -1 0 319.748 2.316 50 30 DEEARM Cc1noc(C)c1COc1ccccc1C(=O)[N-]S(C)(=O)=O ZINC000048479636 424833833 /nfs/dbraw/zinc/83/38/33/424833833.db2.gz GZEMXQUGRNJLSU-UHFFFAOYSA-N -1 0 324.358 2.135 50 30 DEEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCn2cccn2)s1 ZINC000078556459 525482508 /nfs/dbraw/zinc/48/25/08/525482508.db2.gz XSRDBQUPHAZXQX-UHFFFAOYSA-N -1 0 313.404 2.379 50 30 DEEARM C#CCCC1(CCC(=O)NCc2cc(C)c(C(=O)[O-])o2)N=N1 ZINC000952876245 792792250 /nfs/dbraw/zinc/79/22/50/792792250.db2.gz ILRVQHKHAFSXLA-UHFFFAOYSA-N -1 0 303.318 2.258 50 30 DEEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000104820632 799472776 /nfs/dbraw/zinc/47/27/76/799472776.db2.gz YIMPROZARJCBEF-DQOPKJQZSA-N -1 0 300.310 2.232 50 30 DEEARM CSC1=N/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)S1 ZINC000002978298 180973200 /nfs/dbraw/zinc/97/32/00/180973200.db2.gz HXPJYROAKPSDQS-UXBLZVDNSA-N -1 0 309.368 2.483 50 30 DEEARM CC/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(C)cc1 ZINC000004844889 181162012 /nfs/dbraw/zinc/16/20/12/181162012.db2.gz QTCDLRITKLUGQV-OOIIIRTPSA-N -1 0 319.386 2.171 50 30 DEEARM CN(Cc1ccccc1)C(=O)N1CCC[C@H](C#CC(=O)[O-])C1 ZINC000585136576 357337379 /nfs/dbraw/zinc/33/73/79/357337379.db2.gz LHTYWQKQRLVRRW-OAHLLOKOSA-N -1 0 300.358 2.038 50 30 DEEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2ccccn2)c1 ZINC000000126307 304263444 /nfs/dbraw/zinc/26/34/44/304263444.db2.gz HMHKILCAAYJLPV-CXUHLZMHSA-N -1 0 300.343 2.100 50 30 DEEARM [NH2+]=C(Nc1cccc(Cl)c1)Nc1nc2c(c(=O)[nH]1)CCC2 ZINC000008685832 401754461 /nfs/dbraw/zinc/75/44/61/401754461.db2.gz XRLKIWVBXZGVRF-UHFFFAOYSA-N -1 0 303.753 2.383 50 30 DEEARM CCOC(=O)C(=N[N-]c1ccc(F)cc1F)C(=O)C(F)(F)F ZINC000100206226 402140321 /nfs/dbraw/zinc/14/03/21/402140321.db2.gz GTMUFKKJGIGKHO-OCKHKDLRSA-N -1 0 324.205 2.427 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccn2)cc1 ZINC000102763976 402171731 /nfs/dbraw/zinc/17/17/31/402171731.db2.gz FLUJHUYJAOLHOW-ZDUSSCGKSA-N -1 0 311.366 2.301 50 30 DEEARM Cc1nscc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000184554394 402275327 /nfs/dbraw/zinc/27/53/27/402275327.db2.gz ZLJFYQWCZKNTKT-JTQLQIEISA-N -1 0 301.375 2.260 50 30 DEEARM CCOc1ccc(/N=C2\S[C@H](C(=O)[O-])CC(=O)N2C)cc1 ZINC000017779140 262539348 /nfs/dbraw/zinc/53/93/48/262539348.db2.gz AVHYRQUXPPPFMH-ICFTUWFRSA-N -1 0 308.359 2.121 50 30 DEEARM O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC000036201088 304802920 /nfs/dbraw/zinc/80/29/20/304802920.db2.gz SXPRPUGIRHGGHA-MKMNVTDBSA-N -1 0 303.234 2.050 50 30 DEEARM CO[C@@H](C(=O)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000070011062 523307536 /nfs/dbraw/zinc/30/75/36/523307536.db2.gz SDHUFULGEZYWBE-GFCCVEGCSA-N -1 0 324.358 2.324 50 30 DEEARM C=CCOc1ccc(CN2CCO[C@H](C(=O)[O-])C2)cc1CC=C ZINC000820505576 1090550648 /nfs/dbraw/zinc/55/06/48/1090550648.db2.gz BCYOBUFVHGBGRW-KRWDZBQOSA-N -1 0 317.385 2.265 50 30 DEEARM C=CCN(CC(=O)[O-])C(=O)c1cc(Br)ccc1F ZINC000092463510 185320207 /nfs/dbraw/zinc/32/02/07/185320207.db2.gz XJVMFAFWEAIKAG-UHFFFAOYSA-N -1 0 316.126 2.301 50 30 DEEARM COC(=O)c1sc(N=NCc2ccc(C(=O)[O-])cc2)nc1C ZINC000004136540 181077177 /nfs/dbraw/zinc/07/71/77/181077177.db2.gz DPCVKKZIBGJJCO-VIZOYTHASA-N -1 0 319.342 2.382 50 30 DEEARM C/N=C1\S/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)N1C ZINC000004704763 181140656 /nfs/dbraw/zinc/14/06/56/181140656.db2.gz RIEKPQHOFQHKKI-ZIFUMUFJSA-N -1 0 320.370 2.070 50 30 DEEARM C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)Cc1cccc(F)c1 ZINC000074823972 191366073 /nfs/dbraw/zinc/36/60/73/191366073.db2.gz HNJAQULIRFAMJS-JTQLQIEISA-N -1 0 311.320 2.500 50 30 DEEARM CN1C(C(=O)c2ccccc2)=C([O-])c2ccccc2S1(=O)=O ZINC000020146454 182192567 /nfs/dbraw/zinc/19/25/67/182192567.db2.gz XAUOVEXCNXTYPT-UHFFFAOYSA-N -1 0 315.350 2.430 50 30 DEEARM COc1ccccc1-c1nc(C(=O)[N-]S(C)(=O)=O)cs1 ZINC000057740159 184050775 /nfs/dbraw/zinc/05/07/75/184050775.db2.gz ULYBLJLVVWTBEU-UHFFFAOYSA-N -1 0 312.372 2.083 50 30 DEEARM Cn1cc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000071859266 184871781 /nfs/dbraw/zinc/87/17/81/184871781.db2.gz NUOIWPJHSAFGIR-STQMWFEESA-N -1 0 323.349 2.008 50 30 DEEARM Cc1cc(=O)[n-]c(SCC(=O)OCc2ccccc2)c1C#N ZINC000013556783 401800552 /nfs/dbraw/zinc/80/05/52/401800552.db2.gz KDKRLCARIOXGHY-UHFFFAOYSA-N -1 0 314.366 2.391 50 30 DEEARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C#N)s1 ZINC000091052389 401991415 /nfs/dbraw/zinc/99/14/15/401991415.db2.gz JZXHQELTJQAGQO-UHFFFAOYSA-N -1 0 310.404 2.441 50 30 DEEARM Cc1nc(C)c(C#N)c(SCCC[N-]C(=O)C(F)(F)F)n1 ZINC000096475793 402093601 /nfs/dbraw/zinc/09/36/01/402093601.db2.gz GIOLUYOJNKLOIZ-UHFFFAOYSA-N -1 0 318.324 2.126 50 30 DEEARM N#CCCCS(=O)(=O)[N-]C(=O)c1cccc(Cl)c1F ZINC000096493326 402096454 /nfs/dbraw/zinc/09/64/54/402096454.db2.gz ZMYWFRGTTZRFFV-UHFFFAOYSA-N -1 0 304.730 2.417 50 30 DEEARM CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CC=CCC2)cn1 ZINC000096500840 402097568 /nfs/dbraw/zinc/09/75/68/402097568.db2.gz XHYJPTJINCUCNR-CYBMUJFWSA-N -1 0 311.407 2.282 50 30 DEEARM Cc1[nH]nc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C#N ZINC000097103141 402107703 /nfs/dbraw/zinc/10/77/03/402107703.db2.gz VZZVROUREMQYRP-UHFFFAOYSA-N -1 0 314.729 2.183 50 30 DEEARM C=CCn1c2ccccc2c([O-])c(C(=O)NCC(C)C)c1=O ZINC000100562558 402141780 /nfs/dbraw/zinc/14/17/80/402141780.db2.gz MEVSAXLOZIDGNY-UHFFFAOYSA-N -1 0 300.358 2.279 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cccc(OC2CCCCC2)c1 ZINC000102740685 402171438 /nfs/dbraw/zinc/17/14/38/402171438.db2.gz LGWRJYQMKJEESB-OAHLLOKOSA-N -1 0 300.358 2.467 50 30 DEEARM Cc1nscc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000184554375 402275135 /nfs/dbraw/zinc/27/51/35/402275135.db2.gz ZLJFYQWCZKNTKT-SNVBAGLBSA-N -1 0 301.375 2.260 50 30 DEEARM CCn1ncc(C#N)c1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000187762373 402510794 /nfs/dbraw/zinc/51/07/94/402510794.db2.gz URQYFKUNIVPIME-UHFFFAOYSA-N -1 0 322.365 2.164 50 30 DEEARM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1c(C)nn(C)c1C ZINC000073837907 521597341 /nfs/dbraw/zinc/59/73/41/521597341.db2.gz SWTAUFYVAXVBBO-UHFFFAOYSA-N -1 0 315.439 2.444 50 30 DEEARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C ZINC000102603502 684057489 /nfs/dbraw/zinc/05/74/89/684057489.db2.gz YIMPROZARJCBEF-MQDFFIGUSA-N -1 0 300.310 2.232 50 30 DEEARM Nc1nn(-c2ccccc2)c(N)c1N=Nc1cccc(C(=O)[O-])c1 ZINC000004477468 181112250 /nfs/dbraw/zinc/11/22/50/181112250.db2.gz VACALTMUXMGICE-PFLVAFOFSA-N -1 0 322.328 2.132 50 30 DEEARM C=CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000089429192 192788896 /nfs/dbraw/zinc/78/88/96/192788896.db2.gz IQOPAKYZSPUWEI-ZDUSSCGKSA-N -1 0 319.357 2.197 50 30 DEEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000091943745 193129539 /nfs/dbraw/zinc/12/95/39/193129539.db2.gz RRQAMJZCYFPFTN-KRWDZBQOSA-N -1 0 317.341 2.298 50 30 DEEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000016130113 182035093 /nfs/dbraw/zinc/03/50/93/182035093.db2.gz UZZSIGFGDVZIKU-UHFFFAOYSA-N -1 0 321.289 2.406 50 30 DEEARM O=C([N-]S(=O)(=O)CC1CCC1)c1scnc1C1CC1 ZINC000089986956 401977344 /nfs/dbraw/zinc/97/73/44/401977344.db2.gz DMNIYQFAMKHBDI-UHFFFAOYSA-N -1 0 300.405 2.455 50 30 DEEARM C#CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000096308772 402076858 /nfs/dbraw/zinc/07/68/58/402076858.db2.gz AYUJBJSCNWVBGS-AWEZNQCLSA-N -1 0 319.357 2.219 50 30 DEEARM N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000097034304 402100757 /nfs/dbraw/zinc/10/07/57/402100757.db2.gz VKWBBULYUAEGMA-UHFFFAOYSA-N -1 0 321.289 2.406 50 30 DEEARM CCN(CC)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1 ZINC000100189391 402140335 /nfs/dbraw/zinc/14/03/35/402140335.db2.gz JKNCBDOZPMOPLE-MHWRWJLKSA-N -1 0 317.418 2.338 50 30 DEEARM O=C1Nc2ccccc2N[C@@H]1c1oc(-c2ccccc2)cc1[O-] ZINC000100838712 402142738 /nfs/dbraw/zinc/14/27/38/402142738.db2.gz VWSXFUINYBNAIR-IAGOWNOFSA-N -1 0 306.321 2.428 50 30 DEEARM O=C1Nc2ccccc2N[C@H]1c1oc(-c2ccccc2)cc1[O-] ZINC000100838721 402142824 /nfs/dbraw/zinc/14/28/24/402142824.db2.gz VWSXFUINYBNAIR-DLBZAZTESA-N -1 0 306.321 2.428 50 30 DEEARM Cc1nn(C)cc1/C=C/C(=O)c1cc2ccc([O-])cc2oc1=O ZINC000390834915 227223299 /nfs/dbraw/zinc/22/32/99/227223299.db2.gz RBXSPIWWRVWOOD-GQCTYLIASA-N -1 0 310.309 2.437 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000046708546 424821477 /nfs/dbraw/zinc/82/14/77/424821477.db2.gz CHCBAOSEFBUHEY-UHFFFAOYSA-N -1 0 305.311 2.109 50 30 DEEARM C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000096416165 534250027 /nfs/dbraw/zinc/25/00/27/534250027.db2.gz ZEPAWVYWBBADFW-NSHDSACASA-N -1 0 314.382 2.301 50 30 DEEARM C=CCNC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000003153205 625560429 /nfs/dbraw/zinc/56/04/29/625560429.db2.gz WJIYMPQTMSUCJV-LLVKDONJSA-N -1 0 300.280 2.099 50 30 DEEARM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000078949041 355287697 /nfs/dbraw/zinc/28/76/97/355287697.db2.gz INPTZDQSWQZOPA-KOLCDFICSA-N -1 0 323.349 2.313 50 30 DEEARM CC(C)Oc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1cn(C)nn1 ZINC000585135999 357337078 /nfs/dbraw/zinc/33/70/78/357337078.db2.gz LQGAMJYPNATMSZ-AATRIKPKSA-N -1 0 315.329 2.197 50 30 DEEARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C#N)cn1 ZINC000096433480 193641350 /nfs/dbraw/zinc/64/13/50/193641350.db2.gz FIUZBLZUJNFTGF-UHFFFAOYSA-N -1 0 319.390 2.148 50 30 DEEARM CSC1=N/C(=C\c2ccc(OCC(=O)[O-])cc2)C(=O)S1 ZINC000015015685 181983763 /nfs/dbraw/zinc/98/37/63/181983763.db2.gz HXPJYROAKPSDQS-POHAHGRESA-N -1 0 309.368 2.483 50 30 DEEARM O=C([O-])c1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])o1)C2=O ZINC000004524939 304252005 /nfs/dbraw/zinc/25/20/05/304252005.db2.gz TXWYWUABIONRHL-WDZFZDKYSA-N -1 0 313.221 2.349 50 30 DEEARM Cc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000071892377 224507812 /nfs/dbraw/zinc/50/78/12/224507812.db2.gz FZSYPFCQCXYBDT-UONOGXRCSA-N -1 0 319.386 2.177 50 30 DEEARM COC(=O)C[C@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000101088430 533670460 /nfs/dbraw/zinc/67/04/60/533670460.db2.gz UOIFUBBUJMHVBB-GYXDYACRSA-N -1 0 300.698 2.324 50 30 DEEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000031794 401687373 /nfs/dbraw/zinc/68/73/73/401687373.db2.gz RQCMIQGHSGXOJP-UHFFFAOYSA-N -1 0 308.315 2.197 50 30 DEEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2cccc(C)n2)cc1 ZINC000000153935 401688583 /nfs/dbraw/zinc/68/85/83/401688583.db2.gz RLDFROKFPAGJLI-UHFFFAOYSA-N -1 0 305.359 2.413 50 30 DEEARM Cc1c(NS(=O)(=O)c2cccc(C#N)c2)cccc1C(=O)[O-] ZINC000072089133 401702721 /nfs/dbraw/zinc/70/27/21/401702721.db2.gz JQWHZSNYMVHNHQ-UHFFFAOYSA-N -1 0 316.338 2.366 50 30 DEEARM C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000002368065 401713538 /nfs/dbraw/zinc/71/35/38/401713538.db2.gz YBZCFSOHVGOTJJ-WQLSENKSSA-N -1 0 319.338 2.372 50 30 DEEARM O=[N+]([O-])c1ccccc1C=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000002544672 401714653 /nfs/dbraw/zinc/71/46/53/401714653.db2.gz ZEYNACLITBLICX-LHHJGKSTSA-N -1 0 317.252 2.376 50 30 DEEARM C#Cc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000012526083 401787192 /nfs/dbraw/zinc/78/71/92/401787192.db2.gz ITIJQNLKOMBFCJ-UHFFFAOYSA-N -1 0 301.323 2.167 50 30 DEEARM N#Cc1ccc(C(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F)cc1 ZINC000012998783 401795547 /nfs/dbraw/zinc/79/55/47/401795547.db2.gz CCWASUCKCREDQS-NSHDSACASA-N -1 0 314.263 2.331 50 30 DEEARM C=CCN1c2ccccc2C(=N[N-]c2oc(C)nc2C#N)C1=O ZINC000015230925 401816475 /nfs/dbraw/zinc/81/64/75/401816475.db2.gz ZVOFJGHVYYOMSE-XMHGGMMESA-N -1 0 307.313 2.204 50 30 DEEARM CCC(=O)C1=C(N[C@@H](C)C(=O)[O-])C[C@H](c2ccccc2)CC1=O ZINC000100951969 402143289 /nfs/dbraw/zinc/14/32/89/402143289.db2.gz FDPQVGKSANZLHZ-AAEUAGOBSA-N -1 0 315.369 2.429 50 30 DEEARM CS(=O)(=O)[N-]C(=O)CCc1ccccc1OC(F)(F)F ZINC000067600056 402164582 /nfs/dbraw/zinc/16/45/82/402164582.db2.gz XVBOIMNIKVDVRP-UHFFFAOYSA-N -1 0 311.281 2.434 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)cc1 ZINC000048503985 424833555 /nfs/dbraw/zinc/83/35/55/424833555.db2.gz VIHNNWIRXHJUKS-GFCCVEGCSA-N -1 0 308.359 2.163 50 30 DEEARM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)no1 ZINC000101372629 424846614 /nfs/dbraw/zinc/84/66/14/424846614.db2.gz GDIMATNPZIOVRB-SNVBAGLBSA-N -1 0 312.329 2.328 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccccc2F)c1C ZINC000103508167 424848679 /nfs/dbraw/zinc/84/86/79/424848679.db2.gz KGZRIZZLAZCQBM-CYBMUJFWSA-N -1 0 313.332 2.302 50 30 DEEARM N=c1c(N=Nc2ccc(F)cc2)c(N)[n-]n1C(=O)c1ccccc1 ZINC000006060855 526839400 /nfs/dbraw/zinc/83/94/00/526839400.db2.gz OSBQVIRLDDGZJM-XVMMMKGPSA-N -1 0 324.319 2.209 50 30 DEEARM C#CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000888099060 635546043 /nfs/dbraw/zinc/54/60/43/635546043.db2.gz UWLCMGKJLUTSCU-UHFFFAOYSA-N -1 0 308.337 2.272 50 30 DEEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000078556434 539367550 /nfs/dbraw/zinc/36/75/50/539367550.db2.gz VBIXUWNNBIWLMJ-YFHOEESVSA-N -1 0 311.359 2.475 50 30 DEEARM C=CCNC(=O)CCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925408 353991417 /nfs/dbraw/zinc/99/14/17/353991417.db2.gz LIDPTDUGJYWWJG-UHFFFAOYSA-N -1 0 309.416 2.203 50 30 DEEARM CC(=O)Nc1nc(C([O-])=C(C#N)c2ccc(F)cn2)cs1 ZINC000076094843 355125664 /nfs/dbraw/zinc/12/56/64/355125664.db2.gz OXSMSHRIMXKBNP-VIFPVBQESA-N -1 0 304.306 2.126 50 30 DEEARM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000078556455 191885043 /nfs/dbraw/zinc/88/50/43/191885043.db2.gz CLWVHRKUPJLBAP-GFCCVEGCSA-N -1 0 315.391 2.082 50 30 DEEARM N#Cc1ccc(Br)c(CSc2n[nH]c(=O)[n-]2)c1 ZINC000194641707 201267025 /nfs/dbraw/zinc/26/70/25/201267025.db2.gz SFXZPTURBDSUFC-UHFFFAOYSA-N -1 0 311.164 2.437 50 30 DEEARM N#Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1 ZINC000006623211 181362052 /nfs/dbraw/zinc/36/20/52/181362052.db2.gz JPPCYICKYMOZGS-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM COc1ccc(/C=N/Nc2nc(=O)c(-c3ccccc3)n[n-]2)cc1 ZINC000013154669 181835079 /nfs/dbraw/zinc/83/50/79/181835079.db2.gz RZSLZEADLGKCBD-WOJGMQOQSA-N -1 0 321.340 2.287 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCC1 ZINC000042338945 183256172 /nfs/dbraw/zinc/25/61/72/183256172.db2.gz BCCQMAWDKXOXJI-UHFFFAOYSA-N -1 0 311.359 2.293 50 30 DEEARM CS(=O)(=O)[N-]C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000066229804 184397982 /nfs/dbraw/zinc/39/79/82/184397982.db2.gz XRUDPYOGXKICCM-UHFFFAOYSA-N -1 0 314.363 2.137 50 30 DEEARM COc1cccc(/C=C/C(=O)c2c([O-])cc(C)oc2=O)c1O ZINC000013125155 401797032 /nfs/dbraw/zinc/79/70/32/401797032.db2.gz SSDQHOMLUVVACD-VOTSOKGWSA-N -1 0 302.282 2.264 50 30 DEEARM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC000095977523 402040904 /nfs/dbraw/zinc/04/09/04/402040904.db2.gz VPDNUTJRSABBLL-UHFFFAOYSA-N -1 0 304.375 2.278 50 30 DEEARM CCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000048518807 402001184 /nfs/dbraw/zinc/00/11/84/402001184.db2.gz UTWHDIRCZWMPPJ-UHFFFAOYSA-N -1 0 302.308 2.049 50 30 DEEARM CS(=O)(=O)[N-]C(=O)C=Cc1csc(Br)c1 ZINC000096408005 402078607 /nfs/dbraw/zinc/07/86/07/402078607.db2.gz DFPGDSURCABJQJ-IHWYPQMZSA-N -1 0 310.194 2.440 50 30 DEEARM Cn1cnc2cc(C(=O)[N-]S(=O)(=O)CC3CCCC3)ccc21 ZINC000096494978 402096406 /nfs/dbraw/zinc/09/64/06/402096406.db2.gz HVKGSQGOYTWUBE-UHFFFAOYSA-N -1 0 321.402 2.398 50 30 DEEARM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000097034303 402100606 /nfs/dbraw/zinc/10/06/06/402100606.db2.gz UQPIPQUXCHXRRT-UHFFFAOYSA-N -1 0 309.328 2.329 50 30 DEEARM COc1cc(OC)c(CN2CCC(C#N)CC2)c(C(=O)[O-])c1 ZINC000097785535 402132689 /nfs/dbraw/zinc/13/26/89/402132689.db2.gz VNBGMXLSHXNHLU-UHFFFAOYSA-N -1 0 304.346 2.138 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCCC2)cc1 ZINC000102748994 402171472 /nfs/dbraw/zinc/17/14/72/402171472.db2.gz KJHLFZPKOMZYPL-OAHLLOKOSA-N -1 0 300.358 2.467 50 30 DEEARM Cc1ccoc1C([O-])=C(C#N)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000102762370 402171734 /nfs/dbraw/zinc/17/17/34/402171734.db2.gz HLYCGGLNUMJFSZ-LLVKDONJSA-N -1 0 320.345 2.347 50 30 DEEARM C=C(C)CN(CC)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000069463290 402225494 /nfs/dbraw/zinc/22/54/94/402225494.db2.gz BGVVXTCRDMQYJF-UHFFFAOYSA-N -1 0 314.382 2.235 50 30 DEEARM CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000069896059 402249808 /nfs/dbraw/zinc/24/98/08/402249808.db2.gz IMVXWWHBNKQFBE-SNVBAGLBSA-N -1 0 321.420 2.143 50 30 DEEARM N#Cc1nc(NC(=O)c2ccc(N3CCCC3)c(F)c2)[n-]c1C#N ZINC000069951019 402252444 /nfs/dbraw/zinc/25/24/44/402252444.db2.gz TTZBPCIXPRBKGE-UHFFFAOYSA-N -1 0 324.319 2.145 50 30 DEEARM N#Cc1ccc(OCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000299745494 229386765 /nfs/dbraw/zinc/38/67/65/229386765.db2.gz ZPCQPDCICBRYFC-OAHLLOKOSA-N -1 0 322.320 2.152 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1ccc(OC)c(-c2ccccc2)c1 ZINC000103732462 424848739 /nfs/dbraw/zinc/84/87/39/424848739.db2.gz LJFKTLLMAOKDMF-HNNXBMFYSA-N -1 0 308.337 2.431 50 30 DEEARM CC(C)C[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)[O-] ZINC000004681850 279000652 /nfs/dbraw/zinc/00/06/52/279000652.db2.gz CREMRGGHIVLTDI-GFCCVEGCSA-N -1 0 323.414 2.100 50 30 DEEARM CC(C)n1cc(C(=O)c2cc(F)ccc2[O-])cc(C#N)c1=O ZINC000002650186 280764759 /nfs/dbraw/zinc/76/47/59/280764759.db2.gz SLZMHDGSKXQLLU-UHFFFAOYSA-N -1 0 300.289 2.377 50 30 DEEARM O=[N+]([O-])c1cc(C=NNc2ccccn2)c([O-])c([N+](=O)[O-])c1 ZINC000033836967 304798550 /nfs/dbraw/zinc/79/85/50/304798550.db2.gz MRMSITJFCDXBLY-VGOFMYFVSA-N -1 0 303.234 2.050 50 30 DEEARM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cnn(C)c2)C1(C)C ZINC000048648102 519445177 /nfs/dbraw/zinc/44/51/77/519445177.db2.gz WDUOHRGZKCNKAV-NWDGAFQWSA-N -1 0 311.407 2.304 50 30 DEEARM CC(C)N1C(=O)CS[C@H](C(=O)[O-])[C@H]1c1ccc(C#N)cc1 ZINC000826782642 783660209 /nfs/dbraw/zinc/66/02/09/783660209.db2.gz OPRDVBRVINVKJJ-KGLIPLIRSA-N -1 0 304.371 2.036 50 30 DEEARM CCCS(=O)(=O)[N-]C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000089971956 185272565 /nfs/dbraw/zinc/27/25/65/185272565.db2.gz MVZNNLWBMYPEJX-GFCCVEGCSA-N -1 0 310.419 2.130 50 30 DEEARM CC[C@@H](C(=O)N1CCc2[n-]c(=O)c(C#N)cc2C1)c1ccccc1 ZINC000225680880 186288742 /nfs/dbraw/zinc/28/87/42/186288742.db2.gz SVNUXFRZCPMRQG-MRXNPFEDSA-N -1 0 321.380 2.325 50 30 DEEARM CC(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1 ZINC000004184473 181082707 /nfs/dbraw/zinc/08/27/07/181082707.db2.gz DTEAZCJUKPARQD-GGNJANJASA-N -1 0 319.386 2.206 50 30 DEEARM COc1ccc(Oc2ccc(/C(N)=N/O)cc2[N+](=O)[O-])cc1 ZINC000004289217 181092960 /nfs/dbraw/zinc/09/29/60/181092960.db2.gz OYWPGXOTXJEUOL-UHFFFAOYSA-N -1 0 303.274 2.490 50 30 DEEARM CCc1cnccc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097374897 355704887 /nfs/dbraw/zinc/70/48/87/355704887.db2.gz SFIZEQXAKHSFSD-UHFFFAOYSA-N -1 0 308.334 2.477 50 30 DEEARM N#Cc1nc(NC(=O)Cc2csc(-c3ccco3)n2)[n-]c1C#N ZINC000040501114 183083624 /nfs/dbraw/zinc/08/36/24/183083624.db2.gz KFDWTERBJUMTIC-UHFFFAOYSA-N -1 0 324.325 2.051 50 30 DEEARM C=CCn1c(SCC(=O)[O-])nc2sc(CC)cc2c1=O ZINC000000072425 401687750 /nfs/dbraw/zinc/68/77/50/401687750.db2.gz JCFQCYKGYJKHQL-UHFFFAOYSA-N -1 0 310.400 2.383 50 30 DEEARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1 ZINC000000125494 401688371 /nfs/dbraw/zinc/68/83/71/401688371.db2.gz QLJOZUMRMDNDSH-UHFFFAOYSA-N -1 0 315.354 2.317 50 30 DEEARM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(OC)c1 ZINC000016147560 401819048 /nfs/dbraw/zinc/81/90/48/401819048.db2.gz QUYXANUGEKFXLG-UHFFFAOYSA-N -1 0 318.354 2.376 50 30 DEEARM N#Cc1nc(NC(=O)Cc2ccc(C(F)(F)F)cc2)[n-]c1C#N ZINC000044910125 401950403 /nfs/dbraw/zinc/95/04/03/401950403.db2.gz QJCVAEMZRUSUFE-UHFFFAOYSA-N -1 0 319.246 2.353 50 30 DEEARM Cc1nc(CC(C)C)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000066620483 402137815 /nfs/dbraw/zinc/13/78/15/402137815.db2.gz GUFUZPAIUAMVPA-UHFFFAOYSA-N -1 0 314.374 2.369 50 30 DEEARM N#CC1=C([O-])C(=CNc2ncccn2)C(=O)C[C@@H]1c1ccccc1 ZINC000100938269 402143314 /nfs/dbraw/zinc/14/33/14/402143314.db2.gz DVWSQFWGIWCRDF-BVFUPINUSA-N -1 0 318.336 2.238 50 30 DEEARM C[C@@H](Oc1cccc(C(=O)/C=C/c2cnn(C)c2)c1)C(=O)[O-] ZINC000068726391 402204094 /nfs/dbraw/zinc/20/40/94/402204094.db2.gz LAUXMQVXLDSGQC-XUIVZRPNSA-N -1 0 300.314 2.168 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000102766084 402171576 /nfs/dbraw/zinc/17/15/76/402171576.db2.gz RPICFPGAHQSCQS-INIZCTEOSA-N -1 0 319.320 2.419 50 30 DEEARM Cn1cc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000071859269 402289638 /nfs/dbraw/zinc/28/96/38/402289638.db2.gz NUOIWPJHSAFGIR-CHWSQXEVSA-N -1 0 323.349 2.008 50 30 DEEARM CC(=O)C(=N[N-]c1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F ZINC000252642933 402659769 /nfs/dbraw/zinc/65/97/69/402659769.db2.gz ZRGIVJFCCOOPSC-UHFFFAOYSA-N -1 0 303.196 2.083 50 30 DEEARM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)[C@@H](C)SC)c1 ZINC000048493431 424834118 /nfs/dbraw/zinc/83/41/18/424834118.db2.gz BNVYMVNHVGBZNP-MRVPVSSYSA-N -1 0 319.404 2.101 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1F)c1cc(C2CC2)n[nH]1 ZINC000048592666 424834535 /nfs/dbraw/zinc/83/45/35/424834535.db2.gz HFANCIUNIXQQLP-UHFFFAOYSA-N -1 0 309.322 2.120 50 30 DEEARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2 ZINC000050204741 526546137 /nfs/dbraw/zinc/54/61/37/526546137.db2.gz RJYTVIZPQNZRJT-UHFFFAOYSA-N -1 0 322.342 2.015 50 30 DEEARM C=CCC1(C(=O)N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)CCC1 ZINC000263228479 527040790 /nfs/dbraw/zinc/04/07/90/527040790.db2.gz RUXHKLJCMMRDCP-GJZGRUSLSA-N -1 0 321.417 2.461 50 30 DEEARM CC(C)C[C@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)C(=O)[O-] ZINC000952967505 792848921 /nfs/dbraw/zinc/84/89/21/792848921.db2.gz IFNQVHOZAXPKRJ-HNNXBMFYSA-N -1 0 317.385 2.038 50 30 DEEARM C=C(C)CN1CCN([C@H](C(=O)[O-])c2cc(C)ccc2OC)CC1 ZINC001506425722 1061969754 /nfs/dbraw/zinc/96/97/54/1061969754.db2.gz CVRGMQONVYITAW-KRWDZBQOSA-N -1 0 318.417 2.323 50 30 DEEARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000003328492 181006013 /nfs/dbraw/zinc/00/60/13/181006013.db2.gz CCSFRACXOQTTFX-UHFFFAOYSA-N -1 0 316.338 2.146 50 30 DEEARM CCOC(=O)[C@H](CS)n1c(=O)c2ccccc2[n-]c1=S ZINC000006858483 181398769 /nfs/dbraw/zinc/39/87/69/181398769.db2.gz ZZLDSAUULHAVEF-JTQLQIEISA-N -1 0 310.400 2.093 50 30 DEEARM C=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2csc(C)n2)C1 ZINC000091643447 193084437 /nfs/dbraw/zinc/08/44/37/193084437.db2.gz NZKUHEDTZSSVNP-HNNXBMFYSA-N -1 0 308.403 2.264 50 30 DEEARM N#CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000016481104 182046432 /nfs/dbraw/zinc/04/64/32/182046432.db2.gz CTMYZUVBGOZXLS-KGLIPLIRSA-N -1 0 300.314 2.194 50 30 DEEARM C=CC[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3 ZINC000004028987 401725619 /nfs/dbraw/zinc/72/56/19/401725619.db2.gz CVIIEVKDNDVREO-FQRJBHLQSA-N -1 0 311.337 2.002 50 30 biogenic DEEARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000007709013 401743257 /nfs/dbraw/zinc/74/32/57/401743257.db2.gz HGEKJLVCJHCEJK-UHFFFAOYSA-N -1 0 322.367 2.207 50 30 DEEARM Cc1ccc(-n2nc(C(=O)[O-])c(C)c(C#N)c2=O)cc1Cl ZINC000000094565 401687995 /nfs/dbraw/zinc/68/79/95/401687995.db2.gz MNQWEZCWQMQERR-UHFFFAOYSA-N -1 0 303.705 2.073 50 30 DEEARM C[C@@H](Oc1cccc(C(=O)[O-])c1)C(=O)NC1(C#N)CCCCC1 ZINC000013419039 401799208 /nfs/dbraw/zinc/79/92/08/401799208.db2.gz JWRQEUWBQAWTHH-GFCCVEGCSA-N -1 0 316.357 2.495 50 30 DEEARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000012630733 401789774 /nfs/dbraw/zinc/78/97/74/401789774.db2.gz YGGJTRNQZQZHHT-UHFFFAOYSA-N -1 0 316.338 2.366 50 30 DEEARM CCc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000096446465 402088712 /nfs/dbraw/zinc/08/87/12/402088712.db2.gz JIEJOOUBWXGIEO-UHFFFAOYSA-N -1 0 300.361 2.133 50 30 DEEARM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000096452597 402090339 /nfs/dbraw/zinc/09/03/39/402090339.db2.gz HVXRFXXQOFXMKB-SMDDNHRTSA-N -1 0 319.386 2.233 50 30 DEEARM CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CC=CCC2)cn1 ZINC000096500839 402097280 /nfs/dbraw/zinc/09/72/80/402097280.db2.gz XHYJPTJINCUCNR-ZDUSSCGKSA-N -1 0 311.407 2.282 50 30 DEEARM COC(=O)C[C@@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000101088433 402143685 /nfs/dbraw/zinc/14/36/85/402143685.db2.gz UOIFUBBUJMHVBB-IOCLVDNSSA-N -1 0 300.698 2.324 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCCO2)cc1 ZINC000048503983 424833495 /nfs/dbraw/zinc/83/34/95/424833495.db2.gz VIHNNWIRXHJUKS-LBPRGKRZSA-N -1 0 308.359 2.163 50 30 DEEARM COc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000048599744 424834749 /nfs/dbraw/zinc/83/47/49/424834749.db2.gz NJBNIZKLROZQAP-UHFFFAOYSA-N -1 0 316.338 2.260 50 30 DEEARM CC(C)CNC(=O)C(C#N)=C([O-])c1csc(-c2ccoc2)n1 ZINC000101022427 424846253 /nfs/dbraw/zinc/84/62/53/424846253.db2.gz VBMIZXCNGCNIOO-LLVKDONJSA-N -1 0 317.370 2.498 50 30 DEEARM C/C(=N\[O-])c1nnn(-c2cc(C(F)(F)F)cnc2C#N)c1C ZINC000001391407 275401742 /nfs/dbraw/zinc/40/17/42/275401742.db2.gz QKNBDQFLHXRSAC-KPSZGOFPSA-N -1 0 310.239 2.059 50 30 DEEARM C=CC[C@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000004028986 277891384 /nfs/dbraw/zinc/89/13/84/277891384.db2.gz CVIIEVKDNDVREO-ZURLZEQWSA-N -1 0 311.337 2.002 50 30 biogenic DEEARM Cc1ccc2c(c1)/C(=N\N=C\c1cc([N+](=O)[O-])ccc1[O-])C(=O)N2 ZINC000036047186 526137621 /nfs/dbraw/zinc/13/76/21/526137621.db2.gz FGZVKQRHJOPASQ-CAOOACKPSA-N -1 0 324.296 2.384 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)c1 ZINC000058328828 526243177 /nfs/dbraw/zinc/24/31/77/526243177.db2.gz UHGGNZVUHHSCHM-LLVKDONJSA-N -1 0 313.375 2.300 50 30 DEEARM Cc1nn(C)c(C)c1CCC(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000079037068 527617392 /nfs/dbraw/zinc/61/73/92/527617392.db2.gz CNAUDSLHDHQFQT-UHFFFAOYSA-N -1 0 315.439 2.302 50 30 DEEARM CC[C@@H](C)C(=O)C(C#N)=C([O-])c1ccc(Cn2cncn2)cc1 ZINC000100700614 529305295 /nfs/dbraw/zinc/30/52/95/529305295.db2.gz OIQSDPNQLIEQBD-DOMZBBRYSA-N -1 0 310.357 2.264 50 30 DEEARM O=C([O-])c1ccc(CCC(=O)NCC#Cc2ccccc2)cc1 ZINC000097017622 185397712 /nfs/dbraw/zinc/39/77/12/185397712.db2.gz IKOXCBREGRHOQK-UHFFFAOYSA-N -1 0 307.349 2.485 50 30 DEEARM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000003295420 181001493 /nfs/dbraw/zinc/00/14/93/181001493.db2.gz CYRSECFSAFFOFA-UHFFFAOYSA-N -1 0 303.299 2.267 50 30 DEEARM C=CCOc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004727688 181143924 /nfs/dbraw/zinc/14/39/24/181143924.db2.gz KSJKLIWETLGBIM-BQYQJAHWSA-N -1 0 315.285 2.119 50 30 DEEARM CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000195573241 356258790 /nfs/dbraw/zinc/25/87/90/356258790.db2.gz JTWPSCBGLXJVOF-UHFFFAOYSA-N -1 0 316.386 2.014 50 30 DEEARM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cnn(C)c1)c1ccccc1 ZINC000195577091 356259020 /nfs/dbraw/zinc/25/90/20/356259020.db2.gz POWYQOHPCHVKNC-HUUCEWRRSA-N -1 0 310.357 2.010 50 30 DEEARM O=C1CSC(NN=Cc2cc(Cl)cc(Cl)c2[O-])=N1 ZINC000005648910 181268087 /nfs/dbraw/zinc/26/80/87/181268087.db2.gz BBFZNAMYBDLSGK-QLKAYGNNSA-N -1 0 304.158 2.252 50 30 DEEARM Cc1nn(C)cc1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000058465002 184119359 /nfs/dbraw/zinc/11/93/59/184119359.db2.gz JBAZTVHISBEAIB-ABZNLYFFSA-N -1 0 314.341 2.477 50 30 DEEARM NC(=S)N/N=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000000535259 401700494 /nfs/dbraw/zinc/70/04/94/401700494.db2.gz GMAGOQZMNBRPOU-OMCISZLKSA-N -1 0 323.761 2.465 50 30 DEEARM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cn1 ZINC000097135110 402109902 /nfs/dbraw/zinc/10/99/02/402109902.db2.gz QVMKWDJBOUBGKK-UHFFFAOYSA-N -1 0 318.745 2.279 50 30 DEEARM CCOc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000105508291 402208295 /nfs/dbraw/zinc/20/82/95/402208295.db2.gz AZTGECICMILNBR-FSNWXROXSA-N -1 0 300.310 2.314 50 30 DEEARM CC1(C)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C#N ZINC000277506497 403224863 /nfs/dbraw/zinc/22/48/63/403224863.db2.gz KPSRYNWVKZPPNH-LBPRGKRZSA-N -1 0 303.318 2.455 50 30 DEEARM N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000299742163 229379897 /nfs/dbraw/zinc/37/98/97/229379897.db2.gz ICCCMCDJDMOVAR-CQSZACIVSA-N -1 0 316.357 2.183 50 30 DEEARM C=CCNC(=O)C(C#N)=C([O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000101257892 424846524 /nfs/dbraw/zinc/84/65/24/424846524.db2.gz VQYDSJGDLYXILN-SECBINFHSA-N -1 0 314.238 2.469 50 30 DEEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000101152687 424846583 /nfs/dbraw/zinc/84/65/83/424846583.db2.gz JFSJDWSAYYFUBI-FSBNRTBOSA-N -1 0 323.732 2.099 50 30 DEEARM CCCCNC(=O)c1c([O-])c2ccccc2n(CCC#N)c1=O ZINC000170624744 528547019 /nfs/dbraw/zinc/54/70/19/528547019.db2.gz ZHCHFIFAKWCCSM-UHFFFAOYSA-N -1 0 313.357 2.151 50 30 DEEARM C[C@@H](CCOc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000072700688 191217959 /nfs/dbraw/zinc/21/79/59/191217959.db2.gz LZBMDYXUQRAWPB-NSHDSACASA-N -1 0 309.329 2.197 50 30 DEEARM COc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1O ZINC000005661790 181268858 /nfs/dbraw/zinc/26/88/58/181268858.db2.gz ZIYNKKNAQUMLPF-PJQLUOCWSA-N -1 0 318.280 2.182 50 30 DEEARM N#Cc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224364 181838446 /nfs/dbraw/zinc/83/84/46/181838446.db2.gz MXRXGVAUXDAYPM-MRXNPFEDSA-N -1 0 324.336 2.269 50 30 DEEARM C[C@H]1CSC(SCc2cc(=O)n3[n-]cc(C#N)c3n2)=N1 ZINC000089525260 256548501 /nfs/dbraw/zinc/54/85/01/256548501.db2.gz WOSDWJZIBUTXFM-ZETCQYMHSA-N -1 0 305.388 2.031 50 30 DEEARM Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000071803791 184847327 /nfs/dbraw/zinc/84/73/27/184847327.db2.gz HFEIOYFFTQLQKU-UHFFFAOYSA-N -1 0 300.336 2.284 50 30 DEEARM CN1c2ccccc2C(C)(C)C1=CC=C1C([O-])=CS1(=O)=O ZINC000685944413 542768773 /nfs/dbraw/zinc/76/87/73/542768773.db2.gz IXUPVEYAKSDELB-VOMDNODZSA-N -1 0 303.383 2.179 50 30 DEEARM CCCCOC(=O)N=S(=O)([O-])c1ccccc1[N+](=O)[O-] ZINC000003131565 401721740 /nfs/dbraw/zinc/72/17/40/401721740.db2.gz VAFOHECZRJGALZ-UHFFFAOYSA-N -1 0 302.308 2.014 50 30 DEEARM COc1cc([N+](=O)[O-])cc(CN=Nc2nc(C)cc(C)n2)c1[O-] ZINC000001308890 401705322 /nfs/dbraw/zinc/70/53/22/401705322.db2.gz FKUVDJLRVFSVTQ-VIZOYTHASA-N -1 0 317.305 2.162 50 30 DEEARM N#CC(=C([O-])c1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000009338870 401761580 /nfs/dbraw/zinc/76/15/80/401761580.db2.gz GRUVFHGAJDZYFN-LLVKDONJSA-N -1 0 320.312 2.280 50 30 DEEARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(C)c2)cc1Cl ZINC000078410966 401850309 /nfs/dbraw/zinc/85/03/09/401850309.db2.gz XJYLNQGQONMGQA-UHFFFAOYSA-N -1 0 313.766 2.075 50 30 DEEARM C=CCS(=O)(=O)[N-]C(=O)c1nc(C)oc1-c1ccccc1 ZINC000097136991 402110295 /nfs/dbraw/zinc/11/02/95/402110295.db2.gz OHFOJYOZDSIYEP-UHFFFAOYSA-N -1 0 306.343 2.470 50 30 DEEARM C=C(C)CN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000071185164 402271126 /nfs/dbraw/zinc/27/11/26/402271126.db2.gz HNVYSCFDDZWSOF-UHFFFAOYSA-N -1 0 310.419 2.486 50 30 DEEARM C=CCc1ccc(OCC(=O)N(C)CCCC(=O)[O-])c(OC)c1 ZINC000071831265 402285329 /nfs/dbraw/zinc/28/53/29/402285329.db2.gz NJHPFOQTJCTJFY-UHFFFAOYSA-N -1 0 321.373 2.126 50 30 DEEARM CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1Br ZINC000071850162 402288071 /nfs/dbraw/zinc/28/80/71/402288071.db2.gz MVGMTGTWUXINQF-DTWKUNHWSA-N -1 0 318.192 2.469 50 30 DEEARM CCN(CC)C(=O)ON(CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC000585091572 405867009 /nfs/dbraw/zinc/86/70/09/405867009.db2.gz KZNUZKTUDMJCBS-UHFFFAOYSA-N -1 0 318.370 2.482 50 30 DEEARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(C#N)CCCC1 ZINC000237749976 225212304 /nfs/dbraw/zinc/21/23/04/225212304.db2.gz XHOAYOVYDUPCIP-UHFFFAOYSA-N -1 0 302.330 2.481 50 30 DEEARM CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)/C1=N\[O-] ZINC000013475797 281701165 /nfs/dbraw/zinc/70/11/65/281701165.db2.gz GJOIQDZMZMNMLX-SXGWCWSVSA-N -1 0 316.195 2.166 50 30 DEEARM CC1=C(C#N)C(=O)N(C)C(=O)C1=NNc1ccc(C(=O)[O-])cc1 ZINC000100132056 300910439 /nfs/dbraw/zinc/91/04/39/300910439.db2.gz HXYFIRLXYOQUDP-ISLYRVAYSA-N -1 0 312.285 2.385 50 30 DEEARM Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C#N)c1=O ZINC000100669127 302901823 /nfs/dbraw/zinc/90/18/23/302901823.db2.gz QBWALKHNJVMSIB-UHFFFAOYSA-N -1 0 319.320 2.368 50 30 DEEARM N#Cc1c([O-])n(Cc2ccccc2)c(=O)nc1-c1ccccc1 ZINC000000038064 303173909 /nfs/dbraw/zinc/17/39/09/303173909.db2.gz ZUWRFSDFPAPICG-UHFFFAOYSA-N -1 0 303.321 2.124 50 30 DEEARM Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)c1Cl ZINC000097021438 185398637 /nfs/dbraw/zinc/39/86/37/185398637.db2.gz VNWFVAJSDWTBQG-UHFFFAOYSA-N -1 0 314.750 2.471 50 30 DEEARM CC/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(C)cc1 ZINC000004844890 181161952 /nfs/dbraw/zinc/16/19/52/181161952.db2.gz QTCDLRITKLUGQV-PBSOMRJOSA-N -1 0 319.386 2.171 50 30 DEEARM C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000091459616 193059489 /nfs/dbraw/zinc/05/94/89/193059489.db2.gz IMGNCGFQGARHHT-QGZVFWFLSA-N -1 0 317.389 2.103 50 30 DEEARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000078612508 401858611 /nfs/dbraw/zinc/85/86/11/401858611.db2.gz ZVDVXFUWZQDFLA-UHFFFAOYSA-N -1 0 324.793 2.363 50 30 DEEARM CCC=C(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000096404494 402078479 /nfs/dbraw/zinc/07/84/79/402078479.db2.gz YDYGGEZAWVJTGN-UXBLZVDNSA-N -1 0 311.359 2.475 50 30 DEEARM CC(=O)C1=C(O)C(=O)N(CCC(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000101152689 424846671 /nfs/dbraw/zinc/84/66/71/424846671.db2.gz JFSJDWSAYYFUBI-LLBKUYECSA-N -1 0 323.732 2.099 50 30 DEEARM CCc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000101432075 424847082 /nfs/dbraw/zinc/84/70/82/424847082.db2.gz OLSGXKTYAXZDIL-LBPRGKRZSA-N -1 0 303.318 2.004 50 30 DEEARM CC(=O)c1ccc(S(=O)([O-])=NC(=O)NC2CCCCC2)cc1 ZINC000018067894 518401324 /nfs/dbraw/zinc/40/13/24/518401324.db2.gz VGZSUPCWNCWDAN-UHFFFAOYSA-N -1 0 324.402 2.414 50 30 world DEEARM CC(C)(C)OC(=O)N=S(=O)([O-])c1ccccc1[N+](=O)[O-] ZINC000034619949 518774772 /nfs/dbraw/zinc/77/47/72/518774772.db2.gz WAYBGHIVTXTUCZ-UHFFFAOYSA-N -1 0 302.308 2.013 50 30 DEEARM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000095459498 185370775 /nfs/dbraw/zinc/37/07/75/185370775.db2.gz MTHKOAWLZWDBKZ-UHFFFAOYSA-N -1 0 317.157 2.389 50 30 DEEARM O=C([N-]S(=O)(=O)CCCF)c1ccccc1-c1cncnc1 ZINC000080318632 355357241 /nfs/dbraw/zinc/35/72/41/355357241.db2.gz RIBYHOGVKNVBAR-UHFFFAOYSA-N -1 0 323.349 2.138 50 30 DEEARM C[C@@H](Oc1cccc(/C=C/C(=O)c2cnn(C)c2)c1)C(=O)[O-] ZINC000065594295 184371094 /nfs/dbraw/zinc/37/10/94/184371094.db2.gz KIEHLHDYBBHKHZ-XUIVZRPNSA-N -1 0 300.314 2.168 50 30 DEEARM Cc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000071892376 224508783 /nfs/dbraw/zinc/50/87/83/224508783.db2.gz FZSYPFCQCXYBDT-KGLIPLIRSA-N -1 0 319.386 2.177 50 30 DEEARM CCn1[n-]c(C)c([C@H](c2ccccc2OC)C(C#N)C#N)c1=O ZINC000005398272 401729473 /nfs/dbraw/zinc/72/94/73/401729473.db2.gz WEGJWPWNCGOQQB-CVEARBPZSA-N -1 0 310.357 2.296 50 30 DEEARM O=C(c1ccc2c3c1cccc3C(=O)N(O)C2=O)N1CCCCC1 ZINC000000507434 401699492 /nfs/dbraw/zinc/69/94/92/401699492.db2.gz LXYZSZDTMDLBGW-UHFFFAOYSA-N -1 0 324.336 2.451 50 30 DEEARM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(F)cc2)c1C#N ZINC000013571273 401801562 /nfs/dbraw/zinc/80/15/62/401801562.db2.gz IPEVZAIYECPRLL-UHFFFAOYSA-N -1 0 317.345 2.425 50 30 DEEARM C#CCOc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1 ZINC000009287490 401761036 /nfs/dbraw/zinc/76/10/36/401761036.db2.gz SXVMKNANAYDSEH-LCYFTJDESA-N -1 0 315.354 2.343 50 30 DEEARM CCC(=O)C1=C(NCCC(=O)[O-])C[C@H](c2ccccc2)CC1=O ZINC000100165670 402140031 /nfs/dbraw/zinc/14/00/31/402140031.db2.gz JLQXTXIQSHQMIR-ZDUSSCGKSA-N -1 0 315.369 2.431 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000048587318 424834755 /nfs/dbraw/zinc/83/47/55/424834755.db2.gz BUDRNRBSQQTAOG-UHFFFAOYSA-N -1 0 323.301 2.248 50 30 DEEARM CC(=NNc1ccc(S(=O)(=O)[O-])cc1)c1ccc(O)cc1 ZINC000004955522 634770571 /nfs/dbraw/zinc/77/05/71/634770571.db2.gz CNDZGGXMVNXVHT-XNTDXEJSSA-N -1 0 306.343 2.475 50 30 DEEARM C#CCCC1(CCC(=O)NCC2(C(=O)[O-])CCCCC2)N=N1 ZINC000952876841 792791937 /nfs/dbraw/zinc/79/19/37/792791937.db2.gz ZFIWUKDDNIBZSJ-UHFFFAOYSA-N -1 0 305.378 2.493 50 30 DEEARM C=CCOc1ccc(CN2CCO[C@@H](C(=O)[O-])C2)cc1CC=C ZINC000820505577 1090550122 /nfs/dbraw/zinc/55/01/22/1090550122.db2.gz BCYOBUFVHGBGRW-QGZVFWFLSA-N -1 0 317.385 2.265 50 30 DEEARM O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1CSCCS1 ZINC000095455054 185369778 /nfs/dbraw/zinc/36/97/78/185369778.db2.gz URQHKKAXTFEOPS-SNVBAGLBSA-N -1 0 303.430 2.180 50 30 DEEARM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000084085987 539392184 /nfs/dbraw/zinc/39/21/84/539392184.db2.gz SWEPKAIGTRYVKG-UHFFFAOYSA-N -1 0 312.322 2.432 50 30 DEEARM CCc1ccc(/C(C)=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000004198937 181084843 /nfs/dbraw/zinc/08/48/43/181084843.db2.gz VXRHZRFQPWQDJW-UWONZBIMSA-N -1 0 319.386 2.035 50 30 DEEARM NC(=S)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000004477510 181112225 /nfs/dbraw/zinc/11/22/25/181112225.db2.gz XHQLXTMPSYSNTB-OMCISZLKSA-N -1 0 323.761 2.465 50 30 DEEARM O=[N+]([O-])c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)o1 ZINC000004737951 181144556 /nfs/dbraw/zinc/14/45/56/181144556.db2.gz MBHCHPMMNFWMRL-VIZOYTHASA-N -1 0 323.272 2.453 50 30 DEEARM CON=C(C(=O)[O-])c1csc(N=NC(C)c2ccccc2)n1 ZINC000004907553 181171774 /nfs/dbraw/zinc/17/17/74/181171774.db2.gz LRJQYTWLTDLQHN-PXOAPQIOSA-N -1 0 318.358 2.414 50 30 DEEARM Cc1c(C#N)c(=O)n(C)c([O-])c1C(=O)c1ccc(Cl)cc1 ZINC000016752495 182060159 /nfs/dbraw/zinc/06/01/59/182060159.db2.gz VTKOOUZKZIVPJH-UHFFFAOYSA-N -1 0 302.717 2.155 50 30 DEEARM CC(C)Oc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)N(C)C ZINC000049015281 183701727 /nfs/dbraw/zinc/70/17/27/183701727.db2.gz IXEMTMMHQNCJDN-UHFFFAOYSA-N -1 0 320.798 2.238 50 30 DEEARM C[C@H](Oc1cccc(C(=O)/C=C/c2cnn(C)c2)c1)C(=O)[O-] ZINC000062692647 184247472 /nfs/dbraw/zinc/24/74/72/184247472.db2.gz LAUXMQVXLDSGQC-MLRMMBSGSA-N -1 0 300.314 2.168 50 30 DEEARM O=C([O-])C1(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154959231 197008210 /nfs/dbraw/zinc/00/82/10/197008210.db2.gz JORDXIGSFOVOKQ-UHFFFAOYSA-N -1 0 311.259 2.038 50 30 DEEARM CC(C)c1nc(OCC(=O)[O-])c(C#N)c2c1COC(C)(C)C2 ZINC000012664556 401789665 /nfs/dbraw/zinc/78/96/65/401789665.db2.gz FTCLVVNHGOSXJM-UHFFFAOYSA-N -1 0 304.346 2.391 50 30 biogenic DEEARM CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(C(=O)NC)cc1 ZINC000048555511 402001904 /nfs/dbraw/zinc/00/19/04/402001904.db2.gz HTVRWUJDMGHMJR-JXMROGBWSA-N -1 0 324.402 2.146 50 30 DEEARM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000096452596 402090273 /nfs/dbraw/zinc/09/02/73/402090273.db2.gz HVXRFXXQOFXMKB-BXUZGUMPSA-N -1 0 319.386 2.233 50 30 DEEARM C[C@@H](Oc1ccc(C(=O)/C=C\c2cnn(C)c2)cc1)C(=O)[O-] ZINC000096837131 402099453 /nfs/dbraw/zinc/09/94/53/402099453.db2.gz SVBNFYVODXLQMC-UVYAAXSVSA-N -1 0 300.314 2.168 50 30 DEEARM C=CC/N=c1\sc(C)c([O-])n1S(=O)(=O)c1ccc(C)cc1 ZINC000100842627 402142854 /nfs/dbraw/zinc/14/28/54/402142854.db2.gz IVENNWFAMWJAKK-ICFTUWFRSA-N -1 0 324.427 2.190 50 30 DEEARM Cc1ccoc1C([O-])=C(C#N)C(=O)CN(C)C(=O)OC(C)(C)C ZINC000102762369 402171664 /nfs/dbraw/zinc/17/16/64/402171664.db2.gz HLYCGGLNUMJFSZ-NSHDSACASA-N -1 0 320.345 2.347 50 30 DEEARM Cc1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1C#N ZINC000262437567 402726283 /nfs/dbraw/zinc/72/62/83/402726283.db2.gz GMBULFFHTLCWQR-GLQYFDAESA-N -1 0 313.357 2.120 50 30 DEEARM CCOc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000102786798 424848135 /nfs/dbraw/zinc/84/81/35/424848135.db2.gz SCCKSQOVKDHMOW-PTZVLDCSSA-N -1 0 300.310 2.314 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1cnc(-c2ccc(C)cc2C)s1 ZINC000103718658 424848448 /nfs/dbraw/zinc/84/84/48/424848448.db2.gz FYEKSJSRODUJHR-GFCCVEGCSA-N -1 0 313.382 2.495 50 30 DEEARM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[N-]S(C)(=O)=O ZINC000096466827 278574689 /nfs/dbraw/zinc/57/46/89/278574689.db2.gz JKROZALYXNTHDY-UHFFFAOYSA-N -1 0 321.402 2.434 50 30 DEEARM CC(C)C[C@H](NC(=O)c1ccc(C#CC(C)(C)O)s1)C(=O)[O-] ZINC000004681849 279190296 /nfs/dbraw/zinc/19/02/96/279190296.db2.gz CREMRGGHIVLTDI-LBPRGKRZSA-N -1 0 323.414 2.100 50 30 DEEARM C#CCCC1(CCC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)N=N1 ZINC000952876183 792791769 /nfs/dbraw/zinc/79/17/69/792791769.db2.gz DYGAJYIJLYNESN-UHFFFAOYSA-N -1 0 318.333 2.080 50 30 DEEARM C#CCCC1(CCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])N=N1 ZINC000952876300 792792002 /nfs/dbraw/zinc/79/20/02/792792002.db2.gz LLXXYCPKQKTWMV-IUODEOHRSA-N -1 0 305.378 2.492 50 30 DEEARM C/N=C1\S/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)N1C ZINC000004704762 181140644 /nfs/dbraw/zinc/14/06/44/181140644.db2.gz RIEKPQHOFQHKKI-GAVZWHNTSA-N -1 0 320.370 2.070 50 30 DEEARM CSCC[C@@H](C(=O)[O-])n1cc(-c2cccc(C#N)c2)nn1 ZINC000081102039 192226373 /nfs/dbraw/zinc/22/63/73/192226373.db2.gz LIFXCHVXIOTMOA-ZDUSSCGKSA-N -1 0 302.359 2.196 50 30 DEEARM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000360803269 207399979 /nfs/dbraw/zinc/39/99/79/207399979.db2.gz SULJATTYFFVJQJ-UHFFFAOYSA-N -1 0 308.388 2.081 50 30 DEEARM Cc1ccc(S(=O)([O-])=NC(=O)NCCc2ccccc2)cc1 ZINC000000205673 401690741 /nfs/dbraw/zinc/69/07/41/401690741.db2.gz CZHCDTXIWCBSSU-UHFFFAOYSA-N -1 0 318.398 2.430 50 30 DEEARM CC1(C)CC(=O)C(=CN[C@H](Cc2ccccc2)C(=O)[O-])C(=O)C1 ZINC000000487484 401699615 /nfs/dbraw/zinc/69/96/15/401699615.db2.gz YZPUGJVDDOEDHV-CQSZACIVSA-N -1 0 315.369 2.114 50 30 biogenic DEEARM C=CCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000008762799 401756561 /nfs/dbraw/zinc/75/65/61/401756561.db2.gz ZUFJHULEMFYHKP-UHFFFAOYSA-N -1 0 302.359 2.481 50 30 DEEARM N#CC1=C([O-])NC(N2CCc3ccccc32)=NC12CCCCC2 ZINC000009096613 401759547 /nfs/dbraw/zinc/75/95/47/401759547.db2.gz WUIGEFCKYPAWFX-CQSZACIVSA-N -1 0 308.385 2.378 50 30 DEEARM CCOCC(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000095351156 402026714 /nfs/dbraw/zinc/02/67/14/402026714.db2.gz QZNYPTRZAWBAFL-UHFFFAOYSA-N -1 0 308.359 2.225 50 30 DEEARM Cc1nc(C#N)c(-n2cc(C(=O)c3cc(F)ccc3[O-])cn2)o1 ZINC000055149269 402076491 /nfs/dbraw/zinc/07/64/91/402076491.db2.gz JIKKSMAIKOTGLT-UHFFFAOYSA-N -1 0 312.260 2.116 50 30 DEEARM CNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCCC2)cc1 ZINC000102748991 402171376 /nfs/dbraw/zinc/17/13/76/402171376.db2.gz KJHLFZPKOMZYPL-HNNXBMFYSA-N -1 0 300.358 2.467 50 30 DEEARM COc1ccc(OC)c2c1C(=O)C=C(SCCC(=O)[O-])C2=O ZINC000071789379 402277256 /nfs/dbraw/zinc/27/72/56/402277256.db2.gz DIIRLGMLDOPLPV-UHFFFAOYSA-N -1 0 322.338 2.175 50 30 in-vitro DEEARM CCOc1cc(C=Nn2cnnc2)cc(Br)c1O ZINC000254714066 402671249 /nfs/dbraw/zinc/67/12/49/402671249.db2.gz JXFDBLZYQDOQSY-UHFFFAOYSA-N -1 0 311.139 2.027 50 30 aggregator DEEARM CCCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000049135839 424835433 /nfs/dbraw/zinc/83/54/33/424835433.db2.gz BWWYNOMMGNZQNW-UHFFFAOYSA-N -1 0 307.169 2.289 50 30 DEEARM N#CC(C(=O)c1cc(C2CC2)[nH]n1)=C([O-])c1ccc2c(c1)OCO2 ZINC000103503235 424848417 /nfs/dbraw/zinc/84/84/17/424848417.db2.gz NOVHOXCEGKFXCM-LLVKDONJSA-N -1 0 323.308 2.221 50 30 DEEARM COc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1 ZINC000103503843 424848588 /nfs/dbraw/zinc/84/85/88/424848588.db2.gz ZHYPIOOHWSWHGT-HNNXBMFYSA-N -1 0 300.358 2.467 50 30 DEEARM COc1ccc(CN2CCC[C@@](C)(C#N)C2)cc1OCC(=O)[O-] ZINC000534631021 334307555 /nfs/dbraw/zinc/30/75/55/334307555.db2.gz FKHCPKSSOPJRFB-KRWDZBQOSA-N -1 0 318.373 2.284 50 30 DEEARM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000064666499 533876948 /nfs/dbraw/zinc/87/69/48/533876948.db2.gz HDQSCDSFPKEJQQ-SNVBAGLBSA-N -1 0 308.359 2.019 50 30 DEEARM COc1cccc(S(=O)(=O)[N-]C(=O)CCOC(C)C)c1 ZINC000058187723 526243645 /nfs/dbraw/zinc/24/36/45/526243645.db2.gz MCDHEXKNEGQXEW-UHFFFAOYSA-N -1 0 301.364 2.156 50 30 DEEARM NC(=NC(=O)c1cc(Cl)ccc1[O-])NCCc1ccccc1 ZINC000004087190 526800302 /nfs/dbraw/zinc/80/03/02/526800302.db2.gz BNGHTGAOZUJLCR-UHFFFAOYSA-N -1 0 317.776 2.333 50 30 DEEARM C=CCNC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000003153204 625561100 /nfs/dbraw/zinc/56/11/00/625561100.db2.gz WJIYMPQTMSUCJV-NSHDSACASA-N -1 0 300.280 2.099 50 30 DEEARM CC1=CC(=O)C(=C([O-])C=Cc2cnn(-c3ccccc3)c2)C(=O)O1 ZINC000105328953 684059801 /nfs/dbraw/zinc/05/98/01/684059801.db2.gz IJPNWUUEZXHXPJ-ZPUOCTKUSA-N -1 0 322.320 2.101 50 30 DEEARM