smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C(=O)[O-])[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000083255261 185221535 /nfs/dbraw/zinc/22/15/35/185221535.db2.gz GCTLDDCFPJNPJU-INIZCTEOSA-N -1 0 300.354 3.410 50 0 DGAARM C[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC000095427682 185361981 /nfs/dbraw/zinc/36/19/81/185361981.db2.gz LAONNMDOBIDHHD-NSHDSACASA-N -1 0 301.317 3.195 50 0 DGAARM C[C@H](c1ccco1)N(C(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000097017685 185397698 /nfs/dbraw/zinc/39/76/98/185397698.db2.gz KJNSQSZQMBYNFX-SECBINFHSA-N -1 0 305.355 3.405 50 0 DGAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC000097017492 185397807 /nfs/dbraw/zinc/39/78/07/185397807.db2.gz CMUHGFYGNIOKOS-GXFFZTMASA-N -1 0 321.373 3.323 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1 ZINC000097020496 185398198 /nfs/dbraw/zinc/39/81/98/185398198.db2.gz HRXCXBYKYQSHQP-UHFFFAOYSA-N -1 0 308.337 3.437 50 0 DGAARM Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])co2)s1 ZINC000097115265 185412832 /nfs/dbraw/zinc/41/28/32/185412832.db2.gz GRSNIPFJZIDVGV-NSHDSACASA-N -1 0 305.355 3.325 50 0 DGAARM Cc1cn(C)c(CC(=O)Nc2cc(Cl)ccc2C)c1C(=O)[O-] ZINC000064980622 432010319 /nfs/dbraw/zinc/01/03/19/432010319.db2.gz FCTPHTDRIJYWEO-UHFFFAOYSA-N -1 0 320.776 3.175 50 0 DGAARM Cc1nn(-c2ncccc2Cl)c(C(F)(F)Cl)c1C(=O)[O-] ZINC000068575515 190775745 /nfs/dbraw/zinc/77/57/45/190775745.db2.gz BLUGZARONXQMDA-UHFFFAOYSA-N -1 0 322.098 3.215 50 0 DGAARM COc1cc(OC)c(-c2ccccc2)cc1C(=O)CCC(=O)[O-] ZINC000071770758 191029808 /nfs/dbraw/zinc/02/98/08/191029808.db2.gz QDNKDSSZCVQZMC-UHFFFAOYSA-N -1 0 314.337 3.418 50 0 DGAARM CC[C@@H](C)[C@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000000090339 180689473 /nfs/dbraw/zinc/68/94/73/180689473.db2.gz DQXLHGIEOPHCII-PELKAZGASA-N -1 0 305.403 3.091 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000000116294 180697664 /nfs/dbraw/zinc/69/76/64/180697664.db2.gz KTGRLSXXHCQYOI-LLVKDONJSA-N -1 0 309.774 3.347 50 0 DGAARM CCC[C@H](CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)[O-] ZINC000002376199 180921832 /nfs/dbraw/zinc/92/18/32/180921832.db2.gz VZPCZPLEBCUDCK-GFCCVEGCSA-N -1 0 321.373 3.083 50 0 DGAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(F)cc1 ZINC000002511984 180929348 /nfs/dbraw/zinc/92/93/48/180929348.db2.gz YSOYIRVLNFPVDR-HNNXBMFYSA-N -1 0 317.316 3.268 50 0 DGAARM Cc1nn(Cc2cc(C(=O)[O-])c3ccccc3n2)c(C)c1Cl ZINC000002554027 180934765 /nfs/dbraw/zinc/93/47/65/180934765.db2.gz ZZWQAHYMOUVCGN-UHFFFAOYSA-N -1 0 315.760 3.448 50 0 DGAARM CCN(C(=O)[N-]S(=O)(=O)c1ccc(C)cc1)C1CCCCC1 ZINC000003257549 180997596 /nfs/dbraw/zinc/99/75/96/180997596.db2.gz OQGODXJMZIWZOD-UHFFFAOYSA-N -1 0 324.446 3.048 50 0 DGAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccccc1F ZINC000003581624 181036940 /nfs/dbraw/zinc/03/69/40/181036940.db2.gz KCOXXNGHVPDCGS-UHFFFAOYSA-N -1 0 317.288 3.228 50 0 DGAARM Cc1ccc(C)c([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000004040471 181065615 /nfs/dbraw/zinc/06/56/15/181065615.db2.gz GINHWNMIJHCFEI-ROUUACIJSA-N -1 0 320.392 3.473 50 0 biogenic DGAARM Cc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000004085513 181071477 /nfs/dbraw/zinc/07/14/77/181071477.db2.gz LTCDNRNJGSQRKJ-OLZOCXBDSA-N -1 0 323.414 3.431 50 0 DGAARM CCOc1c2[nH]c(C(=O)[O-])cc2c(Br)cc1OC ZINC000004237798 181086967 /nfs/dbraw/zinc/08/69/67/181086967.db2.gz IOTCPFDSZUYCOT-UHFFFAOYSA-N -1 0 314.135 3.036 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccs1)C(=O)[O-] ZINC000004241236 181087507 /nfs/dbraw/zinc/08/75/07/181087507.db2.gz DDYQQTCCFAWKHK-HNNXBMFYSA-N -1 0 311.403 3.145 50 0 DGAARM COC(=O)c1ccccc1CSc1ccccc1C(=O)[O-] ZINC000004336020 181099163 /nfs/dbraw/zinc/09/91/63/181099163.db2.gz YINLFBYIPNXEEW-UHFFFAOYSA-N -1 0 302.351 3.464 50 0 DGAARM CC(C)CC(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)CC(C)C ZINC000004591488 181127940 /nfs/dbraw/zinc/12/79/40/181127940.db2.gz RXLLTTZSNVZESL-UHFFFAOYSA-N -1 0 320.389 3.354 50 0 DGAARM COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000004649184 181131210 /nfs/dbraw/zinc/13/12/10/181131210.db2.gz JSIKTCHDNPPTCK-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM O=C([O-])c1cc(Cl)ccc1NC(=O)COc1ccccc1 ZINC000004649218 181131482 /nfs/dbraw/zinc/13/14/82/181131482.db2.gz FWKXAODVLSFQIL-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1 ZINC000004689397 181137070 /nfs/dbraw/zinc/13/70/70/181137070.db2.gz PZUINVKINWOSBA-HNNXBMFYSA-N -1 0 314.341 3.033 50 0 DGAARM O=C([O-])c1ccc(Cn2cc(/C=C\[N+](=O)[O-])c3ccccc32)o1 ZINC000004759647 181149228 /nfs/dbraw/zinc/14/92/28/181149228.db2.gz TVUVIADQCUBIFP-FPLPWBNLSA-N -1 0 312.281 3.228 50 0 DGAARM CCCOc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004811297 181154522 /nfs/dbraw/zinc/15/45/22/181154522.db2.gz OKBAIJIGUUHBPX-CHWSQXEVSA-N -1 0 303.358 3.081 50 0 DGAARM O=C([O-])c1cc(O)ccc1NC(=O)Cc1cccc2ccccc21 ZINC000004813921 181155521 /nfs/dbraw/zinc/15/55/21/181155521.db2.gz QYRYLVXOSXPENK-UHFFFAOYSA-N -1 0 321.332 3.425 50 0 DGAARM CC(C)Cc1nnc(SCC(=O)[O-])n1[C@H](C)c1ccccc1 ZINC000067879826 432045280 /nfs/dbraw/zinc/04/52/80/432045280.db2.gz UZIQUWOIPSKPHE-GFCCVEGCSA-N -1 0 319.430 3.263 50 0 DGAARM O=C([O-])CCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000095471833 304046409 /nfs/dbraw/zinc/04/64/09/304046409.db2.gz WFBDSTDWDROYIK-UHFFFAOYSA-N -1 0 307.434 3.354 50 0 DGAARM O=C([O-])CCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000237975205 304051140 /nfs/dbraw/zinc/05/11/40/304051140.db2.gz KWHPTTYHMFAYIC-ZJUUUORDSA-N -1 0 316.184 3.078 50 0 DGAARM CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237064439 202139643 /nfs/dbraw/zinc/13/96/43/202139643.db2.gz IDXATTIFQDCSEC-CQSZACIVSA-N -1 0 324.380 3.001 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000097039555 304060150 /nfs/dbraw/zinc/06/01/50/304060150.db2.gz ZUPCUVKGFQTZPK-AWEZNQCLSA-N -1 0 323.820 3.376 50 0 DGAARM O=C([O-])Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000005892191 181293905 /nfs/dbraw/zinc/29/39/05/181293905.db2.gz AVNRWLPCIDLYKQ-UHFFFAOYSA-N -1 0 311.750 3.068 50 0 DGAARM Cc1ccc(CNc2c3ccccc3[nH]c(=O)c2C(=O)[O-])cc1 ZINC000170624644 432074640 /nfs/dbraw/zinc/07/46/40/432074640.db2.gz PIRYJCDXMGENFI-UHFFFAOYSA-N -1 0 308.337 3.147 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2o1)c1cccs1 ZINC000072307160 304073911 /nfs/dbraw/zinc/07/39/11/304073911.db2.gz NKYPTHWCZKSYNV-LLVKDONJSA-N -1 0 315.350 3.440 50 0 DGAARM O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccs2)C1 ZINC000180322331 199145713 /nfs/dbraw/zinc/14/57/13/199145713.db2.gz UGVUCVIFDKHPJD-KBPBESRZSA-N -1 0 315.394 3.079 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1ccccc1Cl ZINC000013172604 304074228 /nfs/dbraw/zinc/07/42/28/304074228.db2.gz IESUASLYBXFTQY-LLVKDONJSA-N -1 0 309.774 3.347 50 0 DGAARM COc1cccc([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000237335405 202235395 /nfs/dbraw/zinc/23/53/95/202235395.db2.gz XEEZMQWGBMMPTE-OAHLLOKOSA-N -1 0 319.401 3.250 50 0 DGAARM O=C([O-])c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000005945377 181299292 /nfs/dbraw/zinc/29/92/92/181299292.db2.gz VUMVMAWMHFAZQZ-APPZFPTMSA-N -1 0 317.292 3.303 50 0 DGAARM Cc1cccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000237624567 202308802 /nfs/dbraw/zinc/30/88/02/202308802.db2.gz LIZGXIAKKWYXIN-INIZCTEOSA-N -1 0 303.402 3.174 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000237655064 202320274 /nfs/dbraw/zinc/32/02/74/202320274.db2.gz RWFYATYGMOJTQE-KRWDZBQOSA-N -1 0 315.394 3.352 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc2cc[nH]c2c1 ZINC000237667809 202324280 /nfs/dbraw/zinc/32/42/80/202324280.db2.gz VHKNCCWLDZZWMO-KRWDZBQOSA-N -1 0 322.364 3.422 50 0 DGAARM O=C([O-])c1cccc(CSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000005999677 181304830 /nfs/dbraw/zinc/30/48/30/181304830.db2.gz KKVFCSHQURJIJB-UHFFFAOYSA-N -1 0 311.366 3.462 50 0 DGAARM O=C([O-])/C(=C\c1cnc2ccccc2c1)NC(=O)c1ccccc1 ZINC000006111350 181313474 /nfs/dbraw/zinc/31/34/74/181313474.db2.gz RRHKHHQZEFODLT-GZTJUZNOSA-N -1 0 318.332 3.090 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000012767525 304099818 /nfs/dbraw/zinc/09/98/18/304099818.db2.gz DVJFMQJNMPVCAA-UONOGXRCSA-N -1 0 311.337 3.151 50 0 DGAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccsc2)no1 ZINC000193934610 201148917 /nfs/dbraw/zinc/14/89/17/201148917.db2.gz BOKDCXYBJZKIJV-QMMMGPOBSA-N -1 0 319.308 3.174 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCC2 ZINC000006668232 304107288 /nfs/dbraw/zinc/10/72/88/304107288.db2.gz OHULBSIEGVKYJM-JKSUJKDBSA-N -1 0 301.386 3.395 50 0 DGAARM CCOC(=O)c1ccc2c(c1)nc(CCCCC(=O)[O-])n2CC ZINC000006550353 181353192 /nfs/dbraw/zinc/35/31/92/181353192.db2.gz NABCZQKOVHXNOZ-UHFFFAOYSA-N -1 0 318.373 3.030 50 0 DGAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000247349681 202666498 /nfs/dbraw/zinc/66/64/98/202666498.db2.gz BZYPJYMCKWWCSL-JQFCIGGWSA-N -1 0 323.348 3.024 50 0 DGAARM O=C([O-])COc1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000006702097 181373629 /nfs/dbraw/zinc/37/36/29/181373629.db2.gz PSLPZNCZUFGFHY-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000006706941 181375027 /nfs/dbraw/zinc/37/50/27/181375027.db2.gz SRNUQORMNZLVIH-UHFFFAOYSA-N -1 0 320.414 3.189 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)NCc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000006741452 181380575 /nfs/dbraw/zinc/38/05/75/181380575.db2.gz RSJLGIHYIKURGX-HUUCEWRRSA-N -1 0 321.804 3.403 50 0 DGAARM Cc1nnc2c(Nc3cccc(C(=O)[O-])c3)nc3ccccc3n12 ZINC000006781823 181387664 /nfs/dbraw/zinc/38/76/64/181387664.db2.gz TYCLISDGYMGZDV-UHFFFAOYSA-N -1 0 319.324 3.028 50 0 DGAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C)c1=O ZINC000006830291 181396673 /nfs/dbraw/zinc/39/66/73/181396673.db2.gz PHCSVMOIGVLOIL-UHFFFAOYSA-N -1 0 322.364 3.288 50 0 DGAARM CCN(Cc1n[nH]c(=O)[n-]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000091550955 193072617 /nfs/dbraw/zinc/07/26/17/193072617.db2.gz RQKAPMFKSHUPCH-VIFPVBQESA-N -1 0 314.311 3.112 50 0 DGAARM O=C([O-])CCN1CS/C(=C\c2ccc(Cl)cc2)C1=S ZINC000091675789 193089328 /nfs/dbraw/zinc/08/93/28/193089328.db2.gz UOOGKQXGYFYURT-XFFZJAGNSA-N -1 0 313.831 3.489 50 0 DGAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(SC)cc2)C1 ZINC000091746849 193101640 /nfs/dbraw/zinc/10/16/40/193101640.db2.gz OOGWCURLIQHEHY-QGZVFWFLSA-N -1 0 321.442 3.054 50 0 DGAARM O=C(C=C([O-])c1ccc(Cl)cc1)C(F)(F)Br ZINC000261494860 203073450 /nfs/dbraw/zinc/07/34/50/203073450.db2.gz MZFWMAJDQDWHML-UHFFFAOYSA-N -1 0 311.509 3.470 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000238852625 304149529 /nfs/dbraw/zinc/14/95/29/304149529.db2.gz GPMRWWDIUGJBIG-HONMWMINSA-N -1 0 307.777 3.198 50 0 DGAARM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262831013 203411615 /nfs/dbraw/zinc/41/16/15/203411615.db2.gz XRNKVYXVADVKDM-JTQLQIEISA-N -1 0 316.357 3.051 50 0 DGAARM CC(C)[C@@H](C)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000095969540 193465952 /nfs/dbraw/zinc/46/59/52/193465952.db2.gz FIXAVXJMCSOBRA-HNNXBMFYSA-N -1 0 317.429 3.314 50 0 DGAARM O=C([O-])c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)s1 ZINC000095989978 193481017 /nfs/dbraw/zinc/48/10/17/193481017.db2.gz IGFYYSSWYQFGQX-UHFFFAOYSA-N -1 0 321.320 3.251 50 0 DGAARM O=C([O-])c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000013166702 181835322 /nfs/dbraw/zinc/83/53/22/181835322.db2.gz MVDWBWVLHFNRGM-UHFFFAOYSA-N -1 0 305.330 3.255 50 0 DGAARM CCn1c(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1C ZINC000097212279 193691644 /nfs/dbraw/zinc/69/16/44/193691644.db2.gz HIFZQVFEBVGDQN-INIZCTEOSA-N -1 0 314.385 3.071 50 0 DGAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2cccc(O)c2oc1=O ZINC000013829466 181904654 /nfs/dbraw/zinc/90/46/54/181904654.db2.gz BHBOXPNWDGYJNB-AWEZNQCLSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM COc1ccc(CNc2ccc(C(=O)[O-])cc2C)cc1OC ZINC000016577392 182049949 /nfs/dbraw/zinc/04/99/49/182049949.db2.gz NVFDAYSNPQRVSZ-UHFFFAOYSA-N -1 0 301.342 3.323 50 0 DGAARM CN(CCC(=O)[O-])c1ncnc2sc(-c3ccccc3)cc21 ZINC000020317875 182206241 /nfs/dbraw/zinc/20/62/41/182206241.db2.gz HSZSZJQVHHOHIC-UHFFFAOYSA-N -1 0 313.382 3.269 50 0 DGAARM Cc1nc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)ccc2o1 ZINC000020629182 182239968 /nfs/dbraw/zinc/23/99/68/182239968.db2.gz DLUQRRFNOZNTDO-UHFFFAOYSA-N -1 0 324.308 3.215 50 0 DGAARM CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)[O-])c1C ZINC000032919448 182680640 /nfs/dbraw/zinc/68/06/40/182680640.db2.gz BDNVHPOHCPMZJW-UHFFFAOYSA-N -1 0 315.369 3.423 50 0 DGAARM O=C([O-])CCCCCc1ccc(I)cc1 ZINC000035323989 182770830 /nfs/dbraw/zinc/77/08/30/182770830.db2.gz UTWLOJBITUCZTD-UHFFFAOYSA-N -1 0 318.154 3.479 50 0 DGAARM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000135985781 432142468 /nfs/dbraw/zinc/14/24/68/432142468.db2.gz NYVWJFYNBZNBJV-LBPRGKRZSA-N -1 0 318.398 3.090 50 0 DGAARM COCCCOc1cc(/C=C(/C(=O)[O-])C(C)C)ccc1OC ZINC000040435186 183066651 /nfs/dbraw/zinc/06/66/51/183066651.db2.gz VPJJDEYLAURBLW-GXDHUFHOSA-N -1 0 308.374 3.235 50 0 DGAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000041096804 183165537 /nfs/dbraw/zinc/16/55/37/183165537.db2.gz WKVIJZYUCKODPT-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000043589659 183373967 /nfs/dbraw/zinc/37/39/67/183373967.db2.gz WFTAGEJXKMPBBQ-CYBMUJFWSA-N -1 0 309.431 3.174 50 0 DGAARM CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCC2 ZINC000045951710 183539488 /nfs/dbraw/zinc/53/94/88/183539488.db2.gz KUMXRUUTBNJLKU-SWLSCSKDSA-N -1 0 301.386 3.422 50 0 DGAARM O=C([O-])c1cc(Cl)ccc1[C@H]1Nc2ccccc2C(=O)O1 ZINC000004710272 304224453 /nfs/dbraw/zinc/22/44/53/304224453.db2.gz QGJTZCGEGQYTAR-ZDUSSCGKSA-N -1 0 303.701 3.319 50 0 DGAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000268934662 207098800 /nfs/dbraw/zinc/09/88/00/207098800.db2.gz MMSWVGVBUIPNGT-NXEZZACHSA-N -1 0 316.184 3.030 50 0 DGAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000056700307 184017694 /nfs/dbraw/zinc/01/76/94/184017694.db2.gz CBJTZOQCUCAHOT-KTKRTIGZSA-N -1 0 317.366 3.106 50 0 DGAARM O=C([O-])c1cc2c(cccc2I)s1 ZINC000083429583 304228875 /nfs/dbraw/zinc/22/88/75/304228875.db2.gz WXCFASJVNZNLJL-UHFFFAOYSA-N -1 0 304.108 3.204 50 0 DGAARM O=C([O-])c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006550364 304231009 /nfs/dbraw/zinc/23/10/09/304231009.db2.gz RIZHRRQNCVNGOB-UHFFFAOYSA-N -1 0 323.396 3.433 50 0 DGAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3F)o2)on1 ZINC000064958425 184306658 /nfs/dbraw/zinc/30/66/58/184306658.db2.gz QOCRNRDJTLMETF-UHFFFAOYSA-N -1 0 322.317 3.183 50 0 DGAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)o2)on1 ZINC000064958426 184307006 /nfs/dbraw/zinc/30/70/06/184307006.db2.gz BMSPFZGLVMOSAR-UHFFFAOYSA-N -1 0 322.317 3.183 50 0 DGAARM O=S(=O)([N-]c1cc(-c2ccoc2)no1)c1ccc(Cl)cc1 ZINC000065153454 184312676 /nfs/dbraw/zinc/31/26/76/184312676.db2.gz XQRIPMDTZVMOOT-UHFFFAOYSA-N -1 0 324.745 3.389 50 0 DGAARM CS(=O)(=O)c1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000065354659 184327108 /nfs/dbraw/zinc/32/71/08/184327108.db2.gz IOCTYFOBLDXQDN-UHFFFAOYSA-N -1 0 310.758 3.109 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)s1 ZINC000097619075 304233581 /nfs/dbraw/zinc/23/35/81/304233581.db2.gz IEWVDQFIUHJUAV-LBPRGKRZSA-N -1 0 316.382 3.209 50 0 DGAARM CC(C)[C@@H](C(=O)[O-])[S@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000097826607 257253075 /nfs/dbraw/zinc/25/30/75/257253075.db2.gz LEEPCYDDRNDMJN-YBTHPKLGSA-N -1 0 308.321 3.063 50 0 DGAARM O=C([O-])c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000000224893 304280209 /nfs/dbraw/zinc/28/02/09/304280209.db2.gz BQRJQAACCPRZPK-UHFFFAOYSA-N -1 0 313.260 3.175 50 0 DGAARM CC(=O)Nc1ccc(Sc2ccccc2CC(=O)[O-])cc1 ZINC000005383176 400087208 /nfs/dbraw/zinc/08/72/08/400087208.db2.gz TUAGEKZGPHZHGN-UHFFFAOYSA-N -1 0 301.367 3.423 50 0 DGAARM O=C([O-])[C@@H]1CC(=O)N(c2cc(Cl)c(Cl)cc2Cl)C1 ZINC000021008810 400190625 /nfs/dbraw/zinc/19/06/25/400190625.db2.gz UIRKYSAZDGPFNU-RXMQYKEDSA-N -1 0 308.548 3.084 50 0 DGAARM O=C([O-])[C@@H]1CC(=O)N(CC2CCCCC2)[C@H]1c1ccccc1 ZINC000601014571 400204037 /nfs/dbraw/zinc/20/40/37/400204037.db2.gz YLQAJFCYCQEOCJ-WBVHZDCISA-N -1 0 301.386 3.241 50 0 DGAARM C[C@@H]1CS/C(=C(/C(=O)[O-])C(=O)/C=C\c2ccccc2)S1 ZINC000034782180 400386886 /nfs/dbraw/zinc/38/68/86/400386886.db2.gz MQPFPMFLYICOQL-UIFNXEOISA-N -1 0 306.408 3.434 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000072233719 400376007 /nfs/dbraw/zinc/37/60/07/400376007.db2.gz RQVXBFVMALLQRY-LSDHHAIUSA-N -1 0 319.401 3.329 50 0 DGAARM CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)[O-])c1C ZINC000005180030 285961026 /nfs/dbraw/zinc/96/10/26/285961026.db2.gz DRQOUNYZSAKEJG-UHFFFAOYSA-N -1 0 301.342 3.115 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C\c2cccc3c2OCO3)s1 ZINC000606443213 400913507 /nfs/dbraw/zinc/91/35/07/400913507.db2.gz LUDDOMWSOJPTEL-XGXWUAJZSA-N -1 0 301.323 3.140 50 0 DGAARM CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000131969640 196215704 /nfs/dbraw/zinc/21/57/04/196215704.db2.gz PLLLBOAWJQAHEO-GFCCVEGCSA-N -1 0 301.367 3.139 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc2[nH]ccc21 ZINC000299741028 229378122 /nfs/dbraw/zinc/37/81/22/229378122.db2.gz CYCBGENBLOVXOA-XZJROXQQSA-N -1 0 312.369 3.026 50 0 DGAARM Cc1cnc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)o1 ZINC000072312862 426015196 /nfs/dbraw/zinc/01/51/96/426015196.db2.gz LKTBMUZZDXFRIY-UHFFFAOYSA-N -1 0 308.403 3.372 50 0 DGAARM CC(C)(C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070271591 278340508 /nfs/dbraw/zinc/34/05/08/278340508.db2.gz OCIIVILFDNJYOS-TVQRCGJNSA-N -1 0 313.756 3.252 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000002391713 278390482 /nfs/dbraw/zinc/39/04/82/278390482.db2.gz RJSXGIUXOYNBAE-KBPBESRZSA-N -1 0 305.374 3.254 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C(=O)[O-] ZINC000035571143 278405436 /nfs/dbraw/zinc/40/54/36/278405436.db2.gz DAYGDJLPGZOFEW-KGLIPLIRSA-N -1 0 305.374 3.254 50 0 DGAARM O=C([O-])CSCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000152872 431136156 /nfs/dbraw/zinc/13/61/56/431136156.db2.gz OFSDCPSOLBAFOU-UHFFFAOYSA-N -1 0 317.366 3.235 50 0 DGAARM CC(C)COC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000000178756 431140067 /nfs/dbraw/zinc/14/00/67/431140067.db2.gz SLROVBQEZVLCHM-UHFFFAOYSA-N -1 0 309.366 3.473 50 0 DGAARM CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)[O-])c1 ZINC000000192528 431142402 /nfs/dbraw/zinc/14/24/02/431142402.db2.gz AXBXAQGNBMMKOA-UHFFFAOYSA-N -1 0 320.389 3.354 50 0 DGAARM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069117595 431164436 /nfs/dbraw/zinc/16/44/36/431164436.db2.gz ZPZHRWPQEYHHHS-BXKDBHETSA-N -1 0 317.414 3.306 50 0 DGAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000000378685 431174162 /nfs/dbraw/zinc/17/41/62/431174162.db2.gz KFXVPUDBCLRSOA-KRWDZBQOSA-N -1 0 322.364 3.229 50 0 DGAARM CC(=O)Nc1cccc(-c2csc([N-]c3ncccn3)n2)c1 ZINC000000446503 431183465 /nfs/dbraw/zinc/18/34/65/431183465.db2.gz LIJAMBPGZLWSNA-UHFFFAOYSA-N -1 0 311.370 3.302 50 0 DGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000000467266 431188095 /nfs/dbraw/zinc/18/80/95/431188095.db2.gz FXYZGTDYXLLOEX-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000000463505 431189361 /nfs/dbraw/zinc/18/93/61/431189361.db2.gz VWMHRGSEGONRSA-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000000477223 431190660 /nfs/dbraw/zinc/19/06/60/431190660.db2.gz DDIHXZIRJGJZMP-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM Cc1ccn2cc(-c3cccc(NC(=O)CCC(=O)[O-])c3)nc2c1 ZINC000000502336 431193976 /nfs/dbraw/zinc/19/39/76/431193976.db2.gz BLOMLUFRJUJUNS-UHFFFAOYSA-N -1 0 323.352 3.113 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000214468 431148513 /nfs/dbraw/zinc/14/85/13/431148513.db2.gz IXQPDDOTNBLXHS-HZPDHXFCSA-N -1 0 318.417 3.362 50 0 DGAARM O=S(=O)([N-]c1ccc(Br)cc1)c1cccs1 ZINC000000249331 431152944 /nfs/dbraw/zinc/15/29/44/431152944.db2.gz ZWWHUHGCOHVBLG-UHFFFAOYSA-N -1 0 318.217 3.311 50 0 DGAARM O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccccc1 ZINC000000249578 431153039 /nfs/dbraw/zinc/15/30/39/431153039.db2.gz NTCZEAXATYIZSJ-UHFFFAOYSA-N -1 0 323.443 3.387 50 0 DGAARM O=C([O-])c1ccccc1C(=O)NCCc1ccc(Cl)cc1 ZINC000000261236 431157194 /nfs/dbraw/zinc/15/71/94/431157194.db2.gz HFJCSZXFFXTZEW-UHFFFAOYSA-N -1 0 303.745 3.011 50 0 biogenic DGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O ZINC000000258712 431157616 /nfs/dbraw/zinc/15/76/16/431157616.db2.gz GHJCBIAFBDNSCE-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000299374 431160948 /nfs/dbraw/zinc/16/09/48/431160948.db2.gz LMMAQGBDHORAIP-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM O=C([O-])c1ccc(Nc2nc(-c3ccccn3)cs2)cc1O ZINC000000613528 431204020 /nfs/dbraw/zinc/20/40/20/431204020.db2.gz HAPOBSHFUATTSK-UHFFFAOYSA-N -1 0 313.338 3.353 50 0 DGAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)n1 ZINC000001267281 431215701 /nfs/dbraw/zinc/21/57/01/431215701.db2.gz NYZNYGYAXRIUGP-UHFFFAOYSA-N -1 0 300.753 3.276 50 0 DGAARM O=C([O-])/C=C/C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002159080 431246602 /nfs/dbraw/zinc/24/66/02/431246602.db2.gz SICCKMPTWLIUBA-AATRIKPKSA-N -1 0 308.746 3.043 50 0 DGAARM CC(C)(C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070271593 431249239 /nfs/dbraw/zinc/24/92/39/431249239.db2.gz OCIIVILFDNJYOS-ZANVPECISA-N -1 0 313.756 3.252 50 0 DGAARM CCc1ccc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000008913893 431418507 /nfs/dbraw/zinc/41/85/07/431418507.db2.gz DRMZKDZPBGLOSV-UHFFFAOYSA-N -1 0 306.369 3.474 50 0 DGAARM O=c1cnnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]1 ZINC000007996460 431374901 /nfs/dbraw/zinc/37/49/01/431374901.db2.gz SZRUKSNYNZTNLN-UHFFFAOYSA-N -1 0 324.184 3.358 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cc3ccccc3o2)cc1 ZINC000009146246 431424968 /nfs/dbraw/zinc/42/49/68/431424968.db2.gz GPDDXQGRBKOMMF-UHFFFAOYSA-N -1 0 314.362 3.398 50 0 DGAARM CCN(CC)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000075146029 431457027 /nfs/dbraw/zinc/45/70/27/431457027.db2.gz AIUQVWLAADSQCY-UHFFFAOYSA-N -1 0 306.587 3.290 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000075351830 431470586 /nfs/dbraw/zinc/47/05/86/431470586.db2.gz IWFXVEPVMOSGOO-UHFFFAOYSA-N -1 0 323.374 3.078 50 0 DGAARM COc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 ZINC000009306076 431427018 /nfs/dbraw/zinc/42/70/18/431427018.db2.gz XLGGLKAGJRSEKI-UHFFFAOYSA-N -1 0 324.336 3.368 50 0 DGAARM Cc1n[nH]c(SC(=Cc2ccccc2OC(C)C)C(=O)[O-])n1 ZINC000009356630 431431092 /nfs/dbraw/zinc/43/10/92/431431092.db2.gz NBIDALSYBBDZES-MDWZMJQESA-N -1 0 319.386 3.118 50 0 DGAARM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccs2)c1C ZINC000012544741 431516011 /nfs/dbraw/zinc/51/60/11/431516011.db2.gz SRLVVWPMICWZMC-UHFFFAOYSA-N -1 0 324.427 3.206 50 0 DGAARM CN1CCc2c(c3cc(C(=O)[O-])ccc3n2Cc2ccccc2)C1 ZINC000075567470 431485980 /nfs/dbraw/zinc/48/59/80/431485980.db2.gz MQHDERFQXCBDLT-UHFFFAOYSA-N -1 0 320.392 3.376 50 0 DGAARM COc1ccccc1[C@H](Cc1n[n-]c(=S)o1)c1ccco1 ZINC000012321306 431500757 /nfs/dbraw/zinc/50/07/57/431500757.db2.gz LTHSHQAOVNJTTD-NSHDSACASA-N -1 0 302.355 3.335 50 0 DGAARM COc1ccc(-n2nc(C)c3c2nc(C2CC2)cc3C(=O)[O-])cc1 ZINC000012395087 431507044 /nfs/dbraw/zinc/50/70/44/431507044.db2.gz JGSXTOMEEZNFPW-UHFFFAOYSA-N -1 0 323.352 3.313 50 0 DGAARM COc1ccc([C@H](Nc2ccc(C)cc2)[P@@](=O)([O-])O)cc1 ZINC000012523021 431513216 /nfs/dbraw/zinc/51/32/16/431513216.db2.gz LXDWJTRRDNMVJP-OAHLLOKOSA-N -1 0 307.286 3.292 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000013224445 431550255 /nfs/dbraw/zinc/55/02/55/431550255.db2.gz WYHUVOXUTOXZHS-AWEZNQCLSA-N -1 0 309.321 3.379 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000013223926 431550457 /nfs/dbraw/zinc/55/04/57/431550457.db2.gz DSKQIPNMPIMDTJ-CYBMUJFWSA-N -1 0 321.735 3.425 50 0 DGAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000013253768 431552624 /nfs/dbraw/zinc/55/26/24/431552624.db2.gz LWLAEWRMCMXBCV-AWEZNQCLSA-N -1 0 301.317 3.331 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1F)c1cccs1 ZINC000013389710 431554459 /nfs/dbraw/zinc/55/44/59/431554459.db2.gz NXZTWJOFMNGONS-CYBMUJFWSA-N -1 0 321.373 3.152 50 0 DGAARM Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000013348613 431555050 /nfs/dbraw/zinc/55/50/50/431555050.db2.gz NODHOJVSTUKOAX-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000013341815 431555539 /nfs/dbraw/zinc/55/55/39/431555539.db2.gz LLUCANOTATUNGJ-UHFFFAOYSA-N -1 0 320.366 3.078 50 0 DGAARM Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000013348686 431555591 /nfs/dbraw/zinc/55/55/91/431555591.db2.gz AFRPIODNEUXOFP-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=c1c2cc(F)ccc2[n-]c(=S)n1Cc1ccc(F)cc1 ZINC000000425290 280391282 /nfs/dbraw/zinc/39/12/82/280391282.db2.gz DRISYQTXVYLNAY-UHFFFAOYSA-N -1 0 304.321 3.012 50 0 DGAARM O=C(c1cnc2onc(-c3ccco3)c2c1)c1ccccc1[O-] ZINC000014157780 431582970 /nfs/dbraw/zinc/58/29/70/431582970.db2.gz KFPFOCJZZSUAKA-UHFFFAOYSA-N -1 0 306.277 3.419 50 0 DGAARM Cn1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000016978441 431613282 /nfs/dbraw/zinc/61/32/82/431613282.db2.gz OOFAINNKQZBYFN-UHFFFAOYSA-N -1 0 319.430 3.269 50 0 DGAARM CC1CCN(c2nccnc2Oc2ccc(C(=O)[O-])cc2)CC1 ZINC000032951431 431804662 /nfs/dbraw/zinc/80/46/62/431804662.db2.gz YZRQPNPHZVXFQO-UHFFFAOYSA-N -1 0 313.357 3.203 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)n(C2CCCC2)n1 ZINC000032611424 431785689 /nfs/dbraw/zinc/78/56/89/431785689.db2.gz IWPOHZUCNXMECY-UHFFFAOYSA-N -1 0 323.393 3.247 50 0 DGAARM O=C([O-])c1cccc(CSc2nnc(NC3CC3)s2)c1 ZINC000032724286 431787491 /nfs/dbraw/zinc/78/74/91/431787491.db2.gz JGXUXECXAHQDHG-UHFFFAOYSA-N -1 0 307.400 3.103 50 0 DGAARM CS[C@@H]1CCC[C@@H]1N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000089334857 431863292 /nfs/dbraw/zinc/86/32/92/431863292.db2.gz MJDKENQONKKWCS-CMPLNLGQSA-N -1 0 301.358 3.027 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000035302333 431827685 /nfs/dbraw/zinc/82/76/85/431827685.db2.gz CATKDORIZUSJMC-CYBMUJFWSA-N -1 0 306.749 3.044 50 0 DGAARM O=c1nc(CN2CCC[C@H]2c2cccs2)[n-]c2ccsc21 ZINC000035421772 431829995 /nfs/dbraw/zinc/82/99/95/431829995.db2.gz DWDLPLCUELHZNM-NSHDSACASA-N -1 0 317.439 3.383 50 0 DGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)c1 ZINC000045796056 431890374 /nfs/dbraw/zinc/89/03/74/431890374.db2.gz QSTLBCVPGMWOKV-INIZCTEOSA-N -1 0 301.386 3.281 50 0 DGAARM CCCN(C/C=C/c1ccccc1)C(=O)CCc1cc(=O)[n-]o1 ZINC000055270966 431979158 /nfs/dbraw/zinc/97/91/58/431979158.db2.gz JYAKTAWCPVOOPH-RMKNXTFCSA-N -1 0 314.385 3.265 50 0 DGAARM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000095969672 431930068 /nfs/dbraw/zinc/93/00/68/431930068.db2.gz HTVMTWATQBZIQP-ZETCQYMHSA-N -1 0 322.748 3.385 50 0 DGAARM COc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc(Cl)c1O ZINC000096315689 431944658 /nfs/dbraw/zinc/94/46/58/431944658.db2.gz QYPZONZKOAIEDU-IHWYPQMZSA-N -1 0 311.746 3.379 50 0 DGAARM COc1cc(C(=O)/C=C\c2ccccc2)ccc1OCC(=O)[O-] ZINC000096400376 431945459 /nfs/dbraw/zinc/94/54/59/431945459.db2.gz OCYYRHUKSVNDJV-CLFYSBASSA-N -1 0 312.321 3.055 50 0 DGAARM O=C([O-])CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000096480352 431952812 /nfs/dbraw/zinc/95/28/12/431952812.db2.gz SGTRMNFOTSCNQZ-UHFFFAOYSA-N -1 0 308.765 3.196 50 0 DGAARM CCn1c(C)cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1C ZINC000097035376 431957260 /nfs/dbraw/zinc/95/72/60/431957260.db2.gz KCDHMZOQCAWHMO-CYBMUJFWSA-N -1 0 320.414 3.132 50 0 DGAARM Cc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)C2CC2)o1 ZINC000052993981 431959696 /nfs/dbraw/zinc/95/96/96/431959696.db2.gz PDKCBMDWYZJXKT-UHFFFAOYSA-N -1 0 315.398 3.463 50 0 DGAARM CN(CCn1ccnc1)Cc1c(Cl)ccc([O-])c1Cl ZINC000097173102 431964454 /nfs/dbraw/zinc/96/44/54/431964454.db2.gz XWGKIVPMALMCAB-UHFFFAOYSA-N -1 0 300.189 3.028 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000097231222 431965821 /nfs/dbraw/zinc/96/58/21/431965821.db2.gz CEVMXFXLGNRWDK-ZNMIVQPWSA-N -1 0 313.353 3.024 50 0 DGAARM C[C@H](c1ccco1)N(C(=O)Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000097231589 431966389 /nfs/dbraw/zinc/96/63/89/431966389.db2.gz QJWQJMYZKVWICV-GFCCVEGCSA-N -1 0 313.353 3.273 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C/C1CC1)c1ccc(Cl)c(F)c1 ZINC000097231174 431966447 /nfs/dbraw/zinc/96/64/47/431966447.db2.gz UFIXDGWROLAAAU-YIALFULDSA-N -1 0 311.740 3.077 50 0 DGAARM CC1(C)CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000096100839 281083725 /nfs/dbraw/zinc/08/37/25/281083725.db2.gz RMWIIMFQNFCQMW-UONOGXRCSA-N -1 0 313.397 3.368 50 0 DGAARM O=C([O-])[C@H](CC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000057653886 431993318 /nfs/dbraw/zinc/99/33/18/431993318.db2.gz RAGOSRAXUMIRHP-MRXNPFEDSA-N -1 0 309.365 3.224 50 0 DGAARM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])o2)c2ccccc2O1 ZINC000236760032 281355210 /nfs/dbraw/zinc/35/52/10/281355210.db2.gz LBWYUSASBZLQQJ-NSHDSACASA-N -1 0 315.325 3.010 50 0 DGAARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccncc2)C1 ZINC000102749348 431997915 /nfs/dbraw/zinc/99/79/15/431997915.db2.gz SUIPXEQXMNSTLD-CYBMUJFWSA-N -1 0 311.345 3.336 50 0 DGAARM O=C(c1c[nH]c(-c2cc[nH]c(=O)c2)c1)c1cc(Cl)ccc1[O-] ZINC000102859848 431999103 /nfs/dbraw/zinc/99/91/03/431999103.db2.gz BGJQDBDCWUOFGG-UHFFFAOYSA-N -1 0 314.728 3.372 50 0 DGAARM CC[C@@]1(C)Cc2ccccc2-c2[nH]c3n[n-]c(=S)n3c(=O)c21 ZINC000102910504 432000202 /nfs/dbraw/zinc/00/02/02/432000202.db2.gz MQPXLMOBBCTTHV-INIZCTEOSA-N -1 0 312.398 3.009 50 0 DGAARM O=C([O-])c1coc(C(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC000183806718 432328844 /nfs/dbraw/zinc/32/88/44/432328844.db2.gz MSICCIFSGTVRSL-HNNXBMFYSA-N -1 0 313.353 3.215 50 0 DGAARM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000252475408 432376885 /nfs/dbraw/zinc/37/68/85/432376885.db2.gz ZYNKYFDUYMXSQU-UHFFFAOYSA-N -1 0 323.352 3.106 50 0 DGAARM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@@H](C(=O)[O-])C1 ZINC000006741214 281663890 /nfs/dbraw/zinc/66/38/90/281663890.db2.gz FIDBMEIPDKUXJV-BPUTZDHNSA-N -1 0 313.397 3.411 50 0 DGAARM CC1=CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H](C(=O)[O-])C1 ZINC000004713588 281685013 /nfs/dbraw/zinc/68/50/13/281685013.db2.gz VOKRAUZDTBXLAD-MNOVXSKESA-N -1 0 316.382 3.292 50 0 DGAARM CC(C)[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262993327 432513036 /nfs/dbraw/zinc/51/30/36/432513036.db2.gz MCJQDDLHIGODCN-GXTWGEPZSA-N -1 0 324.808 3.153 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)s1 ZINC000263528625 432553419 /nfs/dbraw/zinc/55/34/19/432553419.db2.gz LJGBUIWMIYZNKX-JTQLQIEISA-N -1 0 315.822 3.190 50 0 DGAARM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263554004 432555479 /nfs/dbraw/zinc/55/54/79/432555479.db2.gz XYUPZOOQQNGONR-HUBLWGQQSA-N -1 0 305.374 3.037 50 0 DGAARM O=C([O-])/C=C/c1c(F)ccc(Br)c1Br ZINC000263623745 432561480 /nfs/dbraw/zinc/56/14/80/432561480.db2.gz KJBCGXISSNREJI-DAFODLJHSA-N -1 0 323.943 3.449 50 0 DGAARM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cccs1 ZINC000195541849 432626614 /nfs/dbraw/zinc/62/66/14/432626614.db2.gz MIVMXAPBJSWPRQ-ABAIWWIYSA-N -1 0 315.394 3.062 50 0 DGAARM O=C([O-])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000274143834 432636061 /nfs/dbraw/zinc/63/60/61/432636061.db2.gz AWUQBYWPUWLQQG-GFCCVEGCSA-N -1 0 320.776 3.292 50 0 DGAARM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183766903 288381681 /nfs/dbraw/zinc/38/16/81/288381681.db2.gz LETKNIUGMLPYFI-NSHDSACASA-N -1 0 305.355 3.189 50 0 DGAARM O=C(Cc1ccc(O)c(Cl)c1)NCCCC[C@H]1CCCO1 ZINC000221405201 432668713 /nfs/dbraw/zinc/66/87/13/432668713.db2.gz FCKISBVJAYMIEM-ZDUSSCGKSA-N -1 0 311.809 3.054 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C\C1CC1)c1ccc(Cl)c(F)c1 ZINC000221727953 432668402 /nfs/dbraw/zinc/66/84/02/432668402.db2.gz UFIXDGWROLAAAU-RJNRQISESA-N -1 0 311.740 3.077 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C1CCCCC1 ZINC000226354200 432705357 /nfs/dbraw/zinc/70/53/57/432705357.db2.gz MKPCCNSILURRLA-UHFFFAOYSA-N -1 0 320.414 3.087 50 0 DGAARM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221915762 432670219 /nfs/dbraw/zinc/67/02/19/432670219.db2.gz XCPPWAJVYGIIFP-ABRRARGCSA-N -1 0 314.341 3.131 50 0 DGAARM CC(C)COc1ccccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000236657869 432753410 /nfs/dbraw/zinc/75/34/10/432753410.db2.gz LAZIJAJHQBRIID-UHFFFAOYSA-N -1 0 303.314 3.265 50 0 DGAARM Cc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000000408711 292671739 /nfs/dbraw/zinc/67/17/39/292671739.db2.gz ZWUFJJZEDYFKJZ-SJORKVTESA-N -1 0 306.365 3.165 50 0 biogenic DGAARM CCOc1ccncc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000241911234 432817002 /nfs/dbraw/zinc/81/70/02/432817002.db2.gz UAUMGYWAJDFAIV-UHFFFAOYSA-N -1 0 324.427 3.003 50 0 DGAARM C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1F ZINC000237451235 432788518 /nfs/dbraw/zinc/78/85/18/432788518.db2.gz MHPAFERZBDXATF-CHWSQXEVSA-N -1 0 307.365 3.175 50 0 DGAARM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000237704462 432796985 /nfs/dbraw/zinc/79/69/85/432796985.db2.gz GRVQKZLFNJNEFN-QWRGUYRKSA-N -1 0 303.314 3.184 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000237988289 432807867 /nfs/dbraw/zinc/80/78/67/432807867.db2.gz VUMOHPSBKHHKGO-UHFFFAOYSA-N -1 0 313.378 3.376 50 0 DGAARM CC[C@](C)(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(C)cs1 ZINC000245747002 432859997 /nfs/dbraw/zinc/85/99/97/432859997.db2.gz STFMPNMBMUJILY-OZVIIMIRSA-N -1 0 324.446 3.084 50 0 DGAARM Cc1nc(-c2cccc(-c3ccnn3C)c2)c(Cl)c(=O)[n-]1 ZINC000426509903 433517887 /nfs/dbraw/zinc/51/78/87/433517887.db2.gz FOCYPTOTPALBPZ-UHFFFAOYSA-N -1 0 300.749 3.212 50 0 DGAARM C[C@@H](NC(=O)CCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000426510933 433523415 /nfs/dbraw/zinc/52/34/15/433523415.db2.gz ZUCYVZLVIJSDNI-SECBINFHSA-N -1 0 303.280 3.138 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000561924407 435238894 /nfs/dbraw/zinc/23/88/94/435238894.db2.gz LJWCIOCDJQCGJM-PEXHTFQZSA-N -1 0 319.376 3.332 50 0 DGAARM C[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)[O-])C1 ZINC000000240063 300087813 /nfs/dbraw/zinc/08/78/13/300087813.db2.gz BCNYNLZUUAPJGS-QMMMGPOBSA-N -1 0 305.355 3.416 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2c1 ZINC000000368843 301926481 /nfs/dbraw/zinc/92/64/81/301926481.db2.gz CDLAWVHZBLNLRI-MNOVXSKESA-N -1 0 318.398 3.434 50 0 DGAARM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000237359290 302222270 /nfs/dbraw/zinc/22/22/70/302222270.db2.gz BSVYFFMPSGZZJT-OLZOCXBDSA-N -1 0 313.353 3.304 50 0 DGAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000097035908 302314336 /nfs/dbraw/zinc/31/43/36/302314336.db2.gz SFKVXILLGUNWRQ-QWHCGFSZSA-N -1 0 319.382 3.076 50 0 DGAARM Cc1nc2c(C(=O)[O-])cnn2c(C)c1Cc1ccccc1Cl ZINC000032917359 302646799 /nfs/dbraw/zinc/64/67/99/302646799.db2.gz UDQITYIDAKATNG-UHFFFAOYSA-N -1 0 315.760 3.289 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2s1 ZINC000013249545 302663905 /nfs/dbraw/zinc/66/39/05/302663905.db2.gz WYPPNVQEWMDKRP-NWDGAFQWSA-N -1 0 316.382 3.210 50 0 DGAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000005602658 302745314 /nfs/dbraw/zinc/74/53/14/302745314.db2.gz JBGDCVIHHOTPOL-UHFFFAOYSA-N -1 0 321.446 3.135 50 0 DGAARM O=C(c1ncccc1[O-])N1CCc2c1cccc2C(F)(F)F ZINC000153341654 323213503 /nfs/dbraw/zinc/21/35/03/323213503.db2.gz TUAOYOKKURLYJP-UHFFFAOYSA-N -1 0 308.259 3.009 50 0 DGAARM O=C1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000079020521 331966085 /nfs/dbraw/zinc/96/60/85/331966085.db2.gz TVBWMNWMLPQFGK-UHFFFAOYSA-N -1 0 307.396 3.068 50 0 DGAARM CCOc1c(C)cc(S(=O)(=O)Nc2cccnc2)c(C)c1C ZINC000013568778 545652824 /nfs/dbraw/zinc/65/28/24/545652824.db2.gz ZSPMTRQPFGLTNV-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM Cc1cc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])ccc1F ZINC000221030697 546265604 /nfs/dbraw/zinc/26/56/04/546265604.db2.gz OJESVZBNFHJKAS-JSGCOSHPSA-N -1 0 323.364 3.312 50 0 DGAARM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000236751153 546281802 /nfs/dbraw/zinc/28/18/02/546281802.db2.gz GCDBPTMLYVUDQJ-UHFFFAOYSA-N -1 0 322.792 3.394 50 0 DGAARM Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(C)s1 ZINC000315070168 546456298 /nfs/dbraw/zinc/45/62/98/546456298.db2.gz HATXUBLNEGCXOC-OAHLLOKOSA-N -1 0 315.394 3.189 50 0 DGAARM Cc1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(C(C)C)n1 ZINC000192871051 600466898 /nfs/dbraw/zinc/46/68/98/600466898.db2.gz JYEKGHHXAXFGKQ-UHFFFAOYSA-N -1 0 313.357 3.167 50 0 DGAARM COc1ccc(OCCCOc2ccccc2C(=O)[O-])cc1 ZINC000006490676 656749231 /nfs/dbraw/zinc/74/92/31/656749231.db2.gz QOKDMALXABJEQA-UHFFFAOYSA-N -1 0 302.326 3.241 50 0 DGAARM O=C([O-])c1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000067741858 685056889 /nfs/dbraw/zinc/05/68/89/685056889.db2.gz FPFQGTWFBVIMGW-GFCCVEGCSA-N -1 0 322.368 3.040 50 0 DGAARM C/C(=C\C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000584908423 974959658 /nfs/dbraw/zinc/95/96/58/974959658.db2.gz FKHKKMABZKHXDY-ZQHYZAEZSA-N -1 0 301.386 3.193 50 0 DGAARM C[C@@H](Oc1ccccc1CN(C)Cc1ccsc1)C(=O)[O-] ZINC000823715062 978939263 /nfs/dbraw/zinc/93/92/63/978939263.db2.gz LNGPIKKOYVPCOR-GFCCVEGCSA-N -1 0 305.399 3.232 50 0 DGAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2CC(C)(C)C)cc1 ZINC000584906730 1094839415 /nfs/dbraw/zinc/83/94/15/1094839415.db2.gz XFVGVWSDMFNNSS-GDBMZVCRSA-N -1 0 319.401 3.106 50 0 DGAARM CCN(C(=O)CC(C)(C)CC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000585086748 1094983283 /nfs/dbraw/zinc/98/32/83/1094983283.db2.gz HWUKHDABBPVQDR-UHFFFAOYSA-N -1 0 302.374 3.412 50 0 DGAARM CC(C)(C)c1ncc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cn1 ZINC000585087278 1094988100 /nfs/dbraw/zinc/98/81/00/1094988100.db2.gz CKQGRWMCRPJEKB-YDFGWWAZSA-N -1 0 315.398 3.499 50 0 DGAARM CCn1cc(S(=O)(=O)[N-]c2c(C)csc2Cl)nc1C ZINC000585129416 1095030030 /nfs/dbraw/zinc/03/00/30/1095030030.db2.gz IVZICMFXPJNUKW-UHFFFAOYSA-N -1 0 319.839 3.036 50 0 DGAARM C[C@H]1CC[C@H](CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)O1 ZINC000163626946 197642965 /nfs/dbraw/zinc/64/29/65/197642965.db2.gz MRBLPAPBMHBPTH-GXSJLCMTSA-N -1 0 306.387 3.403 50 0 DGAARM CSc1ccccc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006742586 295684440 /nfs/dbraw/zinc/68/44/40/295684440.db2.gz LKLDANCDBVFSSK-FBDPFYNOSA-N -1 0 319.426 3.484 50 0 DGAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000095424331 185361529 /nfs/dbraw/zinc/36/15/29/185361529.db2.gz ICYTZOJMLFPURN-CABCVRRESA-N -1 0 317.385 3.053 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000097017646 185397783 /nfs/dbraw/zinc/39/77/83/185397783.db2.gz LERZNQSTLSHANA-HNNXBMFYSA-N -1 0 313.353 3.104 50 0 DGAARM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000097017505 185397820 /nfs/dbraw/zinc/39/78/20/185397820.db2.gz HLYVQEACPRETJJ-CQSZACIVSA-N -1 0 321.373 3.070 50 0 DGAARM Cc1oc(CN(C)C(=O)c2cc(C)ccc2F)cc1C(=O)[O-] ZINC000097018430 185397821 /nfs/dbraw/zinc/39/78/21/185397821.db2.gz LDGHLPKMWNYAJU-UHFFFAOYSA-N -1 0 305.305 3.006 50 0 DGAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CC=CCC1 ZINC000097018128 185397829 /nfs/dbraw/zinc/39/78/29/185397829.db2.gz ZEVGOVKCLHVPIS-LBPRGKRZSA-N -1 0 323.339 3.124 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000097018935 185397898 /nfs/dbraw/zinc/39/78/98/185397898.db2.gz MBAGUOYKHVLJTJ-UHFFFAOYSA-N -1 0 305.280 3.234 50 0 DGAARM Cc1cc(NC(=O)c2occc2Br)ccc1C(=O)[O-] ZINC000170056549 197766817 /nfs/dbraw/zinc/76/68/17/197766817.db2.gz KPOLCJMXCUAWAY-UHFFFAOYSA-N -1 0 324.130 3.301 50 0 DGAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2ccno2)o1 ZINC000064958624 432010030 /nfs/dbraw/zinc/01/00/30/432010030.db2.gz LXWVLQVKLVFEPT-UHFFFAOYSA-N -1 0 324.745 3.389 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccc(Cl)cc1 ZINC000064983749 432010035 /nfs/dbraw/zinc/01/00/35/432010035.db2.gz LLUBMOLOLVEBKX-UHFFFAOYSA-N -1 0 320.776 3.349 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)o2)cc1F ZINC000064958676 432010304 /nfs/dbraw/zinc/01/03/04/432010304.db2.gz MSPBYWQTNVUNLP-UHFFFAOYSA-N -1 0 322.317 3.183 50 0 DGAARM COc1ccc(OC)c2c(S[C@H](C)C(=O)[O-])cc(C)nc12 ZINC000072245359 191086914 /nfs/dbraw/zinc/08/69/14/191086914.db2.gz LEFDGFKZUJAJSD-SECBINFHSA-N -1 0 307.371 3.126 50 0 DGAARM O=S(=O)(Nc1cc(F)cc(F)c1)c1cccc(Cl)c1[O-] ZINC000253405955 186307709 /nfs/dbraw/zinc/30/77/09/186307709.db2.gz UPALPJOBTIEZQJ-UHFFFAOYSA-N -1 0 319.716 3.125 50 0 DGAARM Cc1oc2ccc(O[C@H](C)C(=O)[O-])cc2c1C(=O)OC(C)C ZINC000000083629 180687006 /nfs/dbraw/zinc/68/70/06/180687006.db2.gz HEZPUZLYAKUHFD-SNVBAGLBSA-N -1 0 306.314 3.158 50 0 DGAARM Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000000546084 180818412 /nfs/dbraw/zinc/81/84/12/180818412.db2.gz SRCOSOANGKAQIR-INIZCTEOSA-N -1 0 312.369 3.121 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C/C=C/c1ccccc1)CC(=O)[O-] ZINC000002385793 180922711 /nfs/dbraw/zinc/92/27/11/180922711.db2.gz ZEIROKVMYFFJKQ-DNGMOHDESA-N -1 0 305.374 3.458 50 0 DGAARM COc1cccc(NC(=O)CSc2ccccc2C(=O)[O-])c1 ZINC000003340131 181008377 /nfs/dbraw/zinc/00/83/77/181008377.db2.gz WCWZEBSNUATZJL-UHFFFAOYSA-N -1 0 317.366 3.124 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000003348254 181009804 /nfs/dbraw/zinc/00/98/04/181009804.db2.gz PSEFTFMFTDGLAT-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM Cc1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000003445753 181020870 /nfs/dbraw/zinc/02/08/70/181020870.db2.gz ZJQONISSTWPHPW-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])oc1c3CCCC1 ZINC000004044351 181066602 /nfs/dbraw/zinc/06/66/02/181066602.db2.gz JGPAHLCOHGAHAD-UHFFFAOYSA-N -1 0 312.321 3.354 50 0 biogenic DGAARM COC(=O)c1cc(-c2c(C)oc3cc([O-])ccc3c2=O)c(C)o1 ZINC000004200564 181084427 /nfs/dbraw/zinc/08/44/27/181084427.db2.gz ZMXFFUYGRAPFJA-UHFFFAOYSA-N -1 0 314.293 3.162 50 0 DGAARM COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[O-])cc1 ZINC000004206296 181085324 /nfs/dbraw/zinc/08/53/24/181085324.db2.gz XZLBIHCIEFGLHC-UHFFFAOYSA-N -1 0 308.337 3.305 50 0 DGAARM CCCOc1cc(C)c(S(=O)(=O)[N-]c2ccccn2)cc1C ZINC000004411680 181107253 /nfs/dbraw/zinc/10/72/53/181107253.db2.gz BDZMRVWTPPWJTM-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM CCOc1ccc([C@@H]2Cc3[nH]c(C(=O)[O-])c(C)c3C(=O)C2)cc1 ZINC000004488757 181114501 /nfs/dbraw/zinc/11/45/01/181114501.db2.gz BTLLDCGCSGLKNJ-GFCCVEGCSA-N -1 0 313.353 3.333 50 0 DGAARM COc1ccc(C)cc1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000004776661 181151418 /nfs/dbraw/zinc/15/14/18/181151418.db2.gz WYVZJPUENCWYHX-UHFFFAOYSA-N -1 0 300.314 3.346 50 0 DGAARM CCOc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000004903665 181170816 /nfs/dbraw/zinc/17/08/16/181170816.db2.gz HSLAJWAACNATSJ-JKSUJKDBSA-N -1 0 317.385 3.471 50 0 DGAARM CCOc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000004903651 181171007 /nfs/dbraw/zinc/17/10/07/181171007.db2.gz HSLAJWAACNATSJ-CVEARBPZSA-N -1 0 317.385 3.471 50 0 DGAARM O=C([O-])c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1O ZINC000004867045 181166033 /nfs/dbraw/zinc/16/60/33/181166033.db2.gz UEJMPGNWOQBJJA-UHFFFAOYSA-N -1 0 306.705 3.388 50 0 DGAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000004970550 181181250 /nfs/dbraw/zinc/18/12/50/181181250.db2.gz UEEQUNTZDRJHDO-UHFFFAOYSA-N -1 0 320.414 3.405 50 0 DGAARM O=C([O-])CN1C(=O)[C@H](Cc2ccc(Cl)cc2)c2ccccc21 ZINC000005175860 181213385 /nfs/dbraw/zinc/21/33/85/181213385.db2.gz DJNJFQSPPAANPQ-CQSZACIVSA-N -1 0 315.756 3.098 50 0 DGAARM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000005178782 181213681 /nfs/dbraw/zinc/21/36/81/181213681.db2.gz SHYYPGOGZJLYIA-KCJUWKMLSA-N -1 0 318.295 3.326 50 0 DGAARM COc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000005686116 181272385 /nfs/dbraw/zinc/27/23/85/181272385.db2.gz UHCWFUYTNWQEEI-CHWSQXEVSA-N -1 0 303.358 3.081 50 0 DGAARM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236846758 202035313 /nfs/dbraw/zinc/03/53/13/202035313.db2.gz GLAUXMQJVFWQTN-IAGOWNOFSA-N -1 0 315.413 3.237 50 0 DGAARM CC[C@@H](C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])on1 ZINC000236888685 202055600 /nfs/dbraw/zinc/05/56/00/202055600.db2.gz IZNZQLMMMUOWPG-VXGBXAGGSA-N -1 0 308.378 3.048 50 0 DGAARM CCCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236912067 202067370 /nfs/dbraw/zinc/06/73/70/202067370.db2.gz ZTXXHSJVFJYOAV-HNNXBMFYSA-N -1 0 303.402 3.356 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)sc2c1 ZINC000170625935 432074584 /nfs/dbraw/zinc/07/45/84/432074584.db2.gz VJOFKKSQZJAAHE-ZJUUUORDSA-N -1 0 304.371 3.044 50 0 DGAARM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C ZINC000170623996 432074902 /nfs/dbraw/zinc/07/49/02/432074902.db2.gz VHHQUQPSYMWLLM-UHFFFAOYSA-N -1 0 321.398 3.290 50 0 DGAARM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccsc2)C1 ZINC000180322521 199145655 /nfs/dbraw/zinc/14/56/55/199145655.db2.gz RVIPYTVVWGLLIC-LSDHHAIUSA-N -1 0 315.394 3.079 50 0 DGAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237360099 202243583 /nfs/dbraw/zinc/24/35/83/202243583.db2.gz SYIBJPSJUNUGTP-ZFWWWQNUSA-N -1 0 321.392 3.250 50 0 DGAARM Cc1cnc(CCN(C)C(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000089702403 192846380 /nfs/dbraw/zinc/84/63/80/192846380.db2.gz ZZYPEQWVUHRGQA-UHFFFAOYSA-N -1 0 310.806 3.125 50 0 DGAARM Cc1nc(CN2CCC[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000237636358 202312565 /nfs/dbraw/zinc/31/25/65/202312565.db2.gz WZBBIRUNXHFNIY-ZDUSSCGKSA-N -1 0 320.776 3.352 50 0 DGAARM Cc1ccccc1CCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237719541 202337855 /nfs/dbraw/zinc/33/78/55/202337855.db2.gz VCMNOVWSGTUNBP-INIZCTEOSA-N -1 0 303.402 3.174 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)C/C=C/c2cccc(F)c2)C1 ZINC000237999657 202414906 /nfs/dbraw/zinc/41/49/06/202414906.db2.gz YHRLJSMJYRWGAQ-FIMWJMCYSA-N -1 0 319.376 3.332 50 0 DGAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(F)cc1 ZINC000006348575 181333007 /nfs/dbraw/zinc/33/30/07/181333007.db2.gz QXYDYUKFKHHKNC-UHFFFAOYSA-N -1 0 317.288 3.228 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000001200933 304107249 /nfs/dbraw/zinc/10/72/49/304107249.db2.gz HCHGYOVZWHVSDY-VHSXEESVSA-N -1 0 304.371 3.126 50 0 DGAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccccc1 ZINC000006597841 181359593 /nfs/dbraw/zinc/35/95/93/181359593.db2.gz GLZGWOIWRBJXCZ-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(C)no1 ZINC000006738092 181379620 /nfs/dbraw/zinc/37/96/20/181379620.db2.gz UTYPDSOJNDKXEZ-UHFFFAOYSA-N -1 0 308.359 3.090 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2noc3ccccc32)ccc1F ZINC000006800805 181391242 /nfs/dbraw/zinc/39/12/42/181391242.db2.gz RSBSUGRNWVVICH-UHFFFAOYSA-N -1 0 306.318 3.076 50 0 DGAARM Cc1nc2c(C(=O)[O-])cnn2c(C)c1Cc1ccc(Cl)cc1 ZINC000006919371 181405443 /nfs/dbraw/zinc/40/54/43/181405443.db2.gz SSRLRJBMIUXNBR-UHFFFAOYSA-N -1 0 315.760 3.289 50 0 DGAARM CCN(Cc1n[nH]c(=O)[n-]1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000091550957 193072727 /nfs/dbraw/zinc/07/27/27/193072727.db2.gz RQKAPMFKSHUPCH-SECBINFHSA-N -1 0 314.311 3.112 50 0 DGAARM Cc1cc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)cs1 ZINC000091896488 193124296 /nfs/dbraw/zinc/12/42/96/193124296.db2.gz ZMOARPXHFGQINU-INIZCTEOSA-N -1 0 307.415 3.164 50 0 DGAARM CC(C)c1c(-c2ccccc2)ncn1[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000091934878 193128630 /nfs/dbraw/zinc/12/86/30/193128630.db2.gz WPYLVARMYVLDML-HNNXBMFYSA-N -1 0 324.384 3.265 50 0 DGAARM C[N-]C(=S)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000261494821 203073257 /nfs/dbraw/zinc/07/32/57/203073257.db2.gz JRRRFVGPFYTCBL-UHFFFAOYSA-N -1 0 304.671 3.392 50 0 DGAARM Cc1csc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C2CC2)n1 ZINC000095976726 193471332 /nfs/dbraw/zinc/47/13/32/193471332.db2.gz VCHVXHIWYJBJHX-ZDUSSCGKSA-N -1 0 316.382 3.031 50 0 DGAARM C[C@@H]1CCc2sc(C(=O)NCCCCCC(=O)[O-])cc2C1 ZINC000012794408 181798292 /nfs/dbraw/zinc/79/82/92/181798292.db2.gz OZAAWOBLDYNPER-LLVKDONJSA-N -1 0 309.431 3.248 50 0 DGAARM COc1ccc2nc(C(=O)Nc3ccccc3C(=O)[O-])ccc2c1 ZINC000012990865 181818827 /nfs/dbraw/zinc/81/88/27/181818827.db2.gz ZSECZROHECLIDJ-UHFFFAOYSA-N -1 0 322.320 3.194 50 0 DGAARM Cc1cc(NC(=O)c2noc3c2CSc2ccccc2-3)no1 ZINC000015673895 182011614 /nfs/dbraw/zinc/01/16/14/182011614.db2.gz FFHNVKIHQGZZOV-UHFFFAOYSA-N -1 0 313.338 3.496 50 0 DGAARM O=C([O-])c1cc(NC(=O)COc2ccccc2)ccc1Cl ZINC000018193960 182097896 /nfs/dbraw/zinc/09/78/96/182097896.db2.gz ZDJAVXUGICXDAT-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM CCCC(=O)Nc1ccccc1-c1nnc(SCC)[n-]c1=O ZINC000018208209 182098976 /nfs/dbraw/zinc/09/89/76/182098976.db2.gz PZCINJHXGXIOMO-UHFFFAOYSA-N -1 0 318.402 3.095 50 0 DGAARM COc1ccc(Nc2ncnc3sc(C(=O)[O-])c(C)c32)cc1 ZINC000020328275 182208407 /nfs/dbraw/zinc/20/84/07/182208407.db2.gz SAITWQHYJKDGJE-UHFFFAOYSA-N -1 0 315.354 3.450 50 0 DGAARM O=C([O-])CSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC000020582045 182235188 /nfs/dbraw/zinc/23/51/88/182235188.db2.gz ITJJRLXQVPKGPX-UHFFFAOYSA-N -1 0 302.277 3.068 50 0 DGAARM C[C@@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC000000084878 296214067 /nfs/dbraw/zinc/21/40/67/296214067.db2.gz FXFLKQRNKXZSGQ-HTQZYQBOSA-N -1 0 308.428 3.381 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)c1cccc(F)c1 ZINC000038580537 183003180 /nfs/dbraw/zinc/00/31/80/183003180.db2.gz LIGYJYQYGUIKOE-OAHLLOKOSA-N -1 0 317.316 3.268 50 0 DGAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn21 ZINC000020605037 304219182 /nfs/dbraw/zinc/21/91/82/304219182.db2.gz JTETUCFKNUEUPC-UHFFFAOYSA-N -1 0 308.124 3.401 50 0 DGAARM O=C([O-])c1cc2cc(-c3ccccc3)cc3c2n(c1=O)CCC3 ZINC000170622760 304228742 /nfs/dbraw/zinc/22/87/42/304228742.db2.gz RUIGZBFSLIWOTR-UHFFFAOYSA-N -1 0 305.333 3.313 50 0 DGAARM O=C([O-])C1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000268936440 207102366 /nfs/dbraw/zinc/10/23/66/207102366.db2.gz NTFISSYQVQCKIN-UHFFFAOYSA-N -1 0 315.291 3.079 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000039417 304229749 /nfs/dbraw/zinc/22/97/49/304229749.db2.gz MKTXPHPVPAIBJL-HZGVNTEJSA-N -1 0 317.292 3.303 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000229280 304229925 /nfs/dbraw/zinc/22/99/25/304229925.db2.gz RKGHGAVRUBBCTM-GXSJLCMTSA-N -1 0 311.263 3.242 50 0 DGAARM O=C([O-])c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000004137279 304231037 /nfs/dbraw/zinc/23/10/37/304231037.db2.gz HDAMKETZPRJTAX-UHFFFAOYSA-N -1 0 310.275 3.468 50 0 DGAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2ccno2)s1 ZINC000065031077 184309103 /nfs/dbraw/zinc/30/91/03/184309103.db2.gz RBCRHFAOGHWUJL-UHFFFAOYSA-N -1 0 324.358 3.343 50 0 DGAARM O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1ccccc1F ZINC000065153427 184312839 /nfs/dbraw/zinc/31/28/39/184312839.db2.gz DDDVQRJWIYOYII-UHFFFAOYSA-N -1 0 324.358 3.343 50 0 DGAARM CN(Cc1cc(-c2ccccc2)no1)Cc1ncccc1C(=O)[O-] ZINC000065386404 184333270 /nfs/dbraw/zinc/33/32/70/184333270.db2.gz YMBCNWKBEUYDOJ-UHFFFAOYSA-N -1 0 323.352 3.067 50 0 DGAARM O=C([O-])c1ccc(-c2nccn2CCc2ccc(O)cc2)cc1 ZINC000065407511 184339603 /nfs/dbraw/zinc/33/96/03/184339603.db2.gz SFRCWXYDSKXOHL-UHFFFAOYSA-N -1 0 308.337 3.197 50 0 DGAARM O=C([O-])c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000015830986 304253151 /nfs/dbraw/zinc/25/31/51/304253151.db2.gz ICDQWIUEULWPON-VGOFMYFVSA-N -1 0 315.712 3.410 50 0 DGAARM O=C([O-])c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000004713397 304254278 /nfs/dbraw/zinc/25/42/78/304254278.db2.gz UWQUCUVQUVMORM-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM Cn1nccc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000071800737 184846186 /nfs/dbraw/zinc/84/61/86/184846186.db2.gz RNIXQTKZESOMHP-KHPPLWFESA-N -1 0 313.382 3.435 50 0 DGAARM CCNc1nc2c(cc(C(=O)[O-])cc2Br)s1 ZINC000096841445 285623529 /nfs/dbraw/zinc/62/35/29/285623529.db2.gz OELKXFDNNNEVPG-UHFFFAOYSA-N -1 0 301.165 3.189 50 0 DGAARM COc1ccc(Cn2c(=O)c3cc(F)ccc3[n-]c2=S)cc1 ZINC000000425294 400079341 /nfs/dbraw/zinc/07/93/41/400079341.db2.gz YRQXHILMXQMZDT-UHFFFAOYSA-N -1 0 316.357 3.255 50 0 DGAARM CCS[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000097374645 400285725 /nfs/dbraw/zinc/28/57/25/400285725.db2.gz ZSEOKAWGUFAAIW-YUMQZZPRSA-N -1 0 319.348 3.214 50 0 DGAARM CC(=O)N1[C@H](c2ccc(Cl)cc2)SC(C)(C)[C@@H]1C(=O)[O-] ZINC000034729041 400386783 /nfs/dbraw/zinc/38/67/83/400386783.db2.gz GSTLMKSTPLZJSA-RYUDHWBXSA-N -1 0 313.806 3.166 50 0 DGAARM CCCCCn1ccc(=NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000135596465 400587456 /nfs/dbraw/zinc/58/74/56/400587456.db2.gz CXQJRTINIHVNKN-UHFFFAOYSA-N -1 0 312.369 3.118 50 0 DGAARM O=C([O-])[C@H](Nc1cncc(Br)c1)c1ccccc1 ZINC000145001854 400644056 /nfs/dbraw/zinc/64/40/56/400644056.db2.gz DYRQOWMDJZAIEF-GFCCVEGCSA-N -1 0 307.147 3.082 50 0 DGAARM O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)(F)F)cn1 ZINC000079107992 400846722 /nfs/dbraw/zinc/84/67/22/400846722.db2.gz XMVUZKJVGJPLEK-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C\c2ccc3c(c2)OCCO3)s1 ZINC000606443600 400912893 /nfs/dbraw/zinc/91/28/93/400912893.db2.gz CCEVUMLYPRKHCP-JGDUWUCISA-N -1 0 315.350 3.183 50 0 DGAARM C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000237518747 400991996 /nfs/dbraw/zinc/99/19/96/400991996.db2.gz NJMCWSWJPBESRN-DLOVCJGASA-N -1 0 311.328 3.033 50 0 DGAARM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630201499 401216114 /nfs/dbraw/zinc/21/61/14/401216114.db2.gz ZBVOALPMAMVNOM-MRXNPFEDSA-N -1 0 324.380 3.393 50 0 DGAARM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1C ZINC000630284870 401232828 /nfs/dbraw/zinc/23/28/28/401232828.db2.gz YJZSBQWKJPSUQL-AVGNSLFASA-N -1 0 321.442 3.334 50 0 DGAARM Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1OC(C)C ZINC000263012855 165827707 /nfs/dbraw/zinc/82/77/07/165827707.db2.gz HVJCECHUOTYPBG-UHFFFAOYSA-N -1 0 320.389 3.111 50 0 DGAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000191227953 432236852 /nfs/dbraw/zinc/23/68/52/432236852.db2.gz JWYIAEPNBBYIEW-QGZVFWFLSA-N -1 0 324.380 3.192 50 0 DGAARM O=S(=O)([N-]c1ccccn1)c1ccc(Cl)c2ncccc12 ZINC000096408023 426416257 /nfs/dbraw/zinc/41/62/57/426416257.db2.gz IPTQRAUIXZKJBK-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2cc(O)ccc2oc1=O ZINC000005196641 277954021 /nfs/dbraw/zinc/95/40/21/277954021.db2.gz IQWPEJBUOJQPDE-CQSZACIVSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM CC(=O)c1c(C)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000002732188 278241521 /nfs/dbraw/zinc/24/15/21/278241521.db2.gz NYMTZNXTKIERCU-UHFFFAOYSA-N -1 0 308.131 3.207 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000035571137 278410714 /nfs/dbraw/zinc/41/07/14/278410714.db2.gz DAYGDJLPGZOFEW-UONOGXRCSA-N -1 0 305.374 3.254 50 0 DGAARM O=C([O-])COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000065149 431116247 /nfs/dbraw/zinc/11/62/47/431116247.db2.gz KMVSESNYBBITEN-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000000116229 431128125 /nfs/dbraw/zinc/12/81/25/431128125.db2.gz VTVHHOVUHHDUHU-HNNXBMFYSA-N -1 0 301.317 3.080 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1cc(Cl)sc1Cl ZINC000000141106 431134556 /nfs/dbraw/zinc/13/45/56/431134556.db2.gz CRRPJQLYDSSXGC-UHFFFAOYSA-N -1 0 309.199 3.251 50 0 DGAARM O=C([O-])CSCC(=O)Nc1ccccc1-c1ccccc1 ZINC000000148189 431134817 /nfs/dbraw/zinc/13/48/17/431134817.db2.gz WIYHEPGIYFLZLK-UHFFFAOYSA-N -1 0 301.367 3.110 50 0 DGAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(F)cc1 ZINC000000174619 431140362 /nfs/dbraw/zinc/14/03/62/431140362.db2.gz ATJRLQAMNWXNJH-UHFFFAOYSA-N -1 0 302.330 3.175 50 0 DGAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000000205252 431143609 /nfs/dbraw/zinc/14/36/09/431143609.db2.gz YJNVXTPFPQBHPG-UHFFFAOYSA-N -1 0 316.357 3.483 50 0 DGAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1cccnc1 ZINC000000192721 431141993 /nfs/dbraw/zinc/14/19/93/431141993.db2.gz OIKGBTHWBTZFIR-UHFFFAOYSA-N -1 0 311.124 3.339 50 0 DGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000000304086 431162845 /nfs/dbraw/zinc/16/28/45/431162845.db2.gz QHASTRVKLPQMCK-UHFFFAOYSA-N -1 0 311.790 3.291 50 0 DGAARM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccco1 ZINC000000527964 431197494 /nfs/dbraw/zinc/19/74/94/431197494.db2.gz RWHHAKAEJQYHJF-UHFFFAOYSA-N -1 0 324.336 3.149 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000214465 431146761 /nfs/dbraw/zinc/14/67/61/431146761.db2.gz IXQPDDOTNBLXHS-JKSUJKDBSA-N -1 0 318.417 3.362 50 0 DGAARM CCOC(=O)c1ccc2[n-]cc(C(=O)c3ccccc3)c(=O)c2c1 ZINC000000248705 431153817 /nfs/dbraw/zinc/15/38/17/431153817.db2.gz GKBIZHOQVDUGPX-UHFFFAOYSA-N -1 0 321.332 3.348 50 0 DGAARM COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)[O-])ccc32)c1 ZINC000000266851 431156385 /nfs/dbraw/zinc/15/63/85/431156385.db2.gz IZSCIPWVUBIODT-UHFFFAOYSA-N -1 0 312.325 3.049 50 0 DGAARM CCOc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000000610110 431205815 /nfs/dbraw/zinc/20/58/15/431205815.db2.gz IVFYZPKTDMWOKX-UHFFFAOYSA-N -1 0 314.341 3.356 50 0 DGAARM Cc1nc([N-]c2ncc3c(n2)C[C@@H](C)CC3=O)nc2ccccc12 ZINC000001069061 431212868 /nfs/dbraw/zinc/21/28/68/431212868.db2.gz MEXBRPCWMIAFIB-SNVBAGLBSA-N -1 0 319.368 3.237 50 0 DGAARM COc1ccc(CC(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000069707006 431214239 /nfs/dbraw/zinc/21/42/39/431214239.db2.gz LSUIVXOSXVSCJQ-UHFFFAOYSA-N -1 0 321.760 3.244 50 0 DGAARM O=S(=O)([O-])c1cnccc1Nc1cccc(C(F)(F)F)c1 ZINC000002027550 431240859 /nfs/dbraw/zinc/24/08/59/431240859.db2.gz FPVYSCWBQXMSMQ-UHFFFAOYSA-N -1 0 318.276 3.091 50 0 DGAARM C[C@@H](Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)[O-] ZINC000001977946 431242111 /nfs/dbraw/zinc/24/21/11/431242111.db2.gz GJJAXRPKBPOQTL-LLVKDONJSA-N -1 0 310.305 3.312 50 0 DGAARM CCCCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000002090437 431246335 /nfs/dbraw/zinc/24/63/35/431246335.db2.gz AEPPTRQSNRNDPG-OAHLLOKOSA-N -1 0 307.390 3.095 50 0 biogenic DGAARM CCCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000002292243 431249579 /nfs/dbraw/zinc/24/95/79/431249579.db2.gz HHFZQEVZQYBHAR-OAHLLOKOSA-N -1 0 307.390 3.095 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1cccc(Cl)c1 ZINC000002385785 431250723 /nfs/dbraw/zinc/25/07/23/431250723.db2.gz APXVJJBVNYZEDD-GFCCVEGCSA-N -1 0 313.781 3.251 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCCCCCC3)c12 ZINC000070442305 431251752 /nfs/dbraw/zinc/25/17/52/431251752.db2.gz UHAXEERBYUAMDB-UHFFFAOYSA-N -1 0 305.403 3.468 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003128418 431283203 /nfs/dbraw/zinc/28/32/03/431283203.db2.gz ZYMVUUVJLFFFAG-UHFFFAOYSA-N -1 0 309.774 3.343 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000003121466 431285226 /nfs/dbraw/zinc/28/52/26/431285226.db2.gz WHDVSHRTSIEYRK-OAHLLOKOSA-N -1 0 317.772 3.215 50 0 DGAARM O=c1cc([O-])c2sc(SCc3ccccc3F)nc2[nH]1 ZINC000004626195 431301437 /nfs/dbraw/zinc/30/14/37/431301437.db2.gz CWXRUWKMGCNONY-UHFFFAOYSA-N -1 0 308.359 3.122 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C ZINC000005598779 431312196 /nfs/dbraw/zinc/31/21/96/431312196.db2.gz OLAWMRKIQOUBJQ-UHFFFAOYSA-N -1 0 310.806 3.461 50 0 DGAARM CSCC[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC000006357202 431316188 /nfs/dbraw/zinc/31/61/88/431316188.db2.gz IKNZYRJATZFKEJ-BPCQOVAHSA-N -1 0 315.479 3.161 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc2ncccc21 ZINC000071286459 431275696 /nfs/dbraw/zinc/27/56/96/431275696.db2.gz ZTSUWBMZIFVRKR-UHFFFAOYSA-N -1 0 306.321 3.114 50 0 DGAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886058 431369213 /nfs/dbraw/zinc/36/92/13/431369213.db2.gz RRSKKGUEORWHEA-MRXNPFEDSA-N -1 0 308.337 3.114 50 0 DGAARM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000008906771 431414971 /nfs/dbraw/zinc/41/49/71/431414971.db2.gz CVUNOTZTCQTZMV-CYBMUJFWSA-N -1 0 313.353 3.408 50 0 DGAARM CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 ZINC000009305176 431426253 /nfs/dbraw/zinc/42/62/53/431426253.db2.gz PZOKEXXQPHYOAM-OAHLLOKOSA-N -1 0 318.348 3.489 50 0 DGAARM O=C([O-])CCC(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000008723121 431407921 /nfs/dbraw/zinc/40/79/21/431407921.db2.gz GYWFSXCFWBFKBP-UHFFFAOYSA-N -1 0 313.353 3.111 50 0 DGAARM COc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC000008723193 431408115 /nfs/dbraw/zinc/40/81/15/431408115.db2.gz QEABXJUUENKOKZ-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM COc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000008768317 431411719 /nfs/dbraw/zinc/41/17/19/431411719.db2.gz QFIOEILCPHUYPH-GOSISDBHSA-N -1 0 313.353 3.066 50 0 DGAARM CC[C@@H](C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)[O-] ZINC000008762481 431411943 /nfs/dbraw/zinc/41/19/43/431411943.db2.gz DGFYSPFQNRFWPU-YGRLFVJLSA-N -1 0 309.431 3.246 50 0 DGAARM C[C@@H]1CCc2noc(NC(=O)COc3ccccc3Cl)c2C1 ZINC000009306593 431426501 /nfs/dbraw/zinc/42/65/01/431426501.db2.gz ADKHOUPBJTYTIG-SNVBAGLBSA-N -1 0 320.776 3.470 50 0 DGAARM CCc1ccc(-c2ccc(C(=O)[N-]N3CCCCC3=O)o2)cc1 ZINC000076065731 431519471 /nfs/dbraw/zinc/51/94/71/431519471.db2.gz HVIUTVUAHBMOBR-UHFFFAOYSA-N -1 0 312.369 3.166 50 0 DGAARM CC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000012697808 431521252 /nfs/dbraw/zinc/52/12/52/431521252.db2.gz UUYYJWRMIFVUMC-UHFFFAOYSA-N -1 0 303.358 3.253 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)Nc1cccc(F)c1 ZINC000012759156 431526460 /nfs/dbraw/zinc/52/64/60/431526460.db2.gz AGZRFNPLAGLVGA-UHFFFAOYSA-N -1 0 305.330 3.255 50 0 DGAARM CCCc1noc2ncc(C(=O)c3cc(F)ccc3[O-])cc12 ZINC000012885120 431531005 /nfs/dbraw/zinc/53/10/05/431531005.db2.gz WUJULQFGHSUZSH-UHFFFAOYSA-N -1 0 300.289 3.251 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccn1 ZINC000075610749 431488657 /nfs/dbraw/zinc/48/86/57/431488657.db2.gz MGOORGOAOBGSSY-UHFFFAOYSA-N -1 0 316.304 3.210 50 0 DGAARM Cc1ccccc1[C@H]1[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000012404575 431505719 /nfs/dbraw/zinc/50/57/19/431505719.db2.gz QWSDKECXUGMZES-KGLIPLIRSA-N -1 0 305.374 3.378 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1C ZINC000013464577 431556650 /nfs/dbraw/zinc/55/66/50/431556650.db2.gz VVGFGKDNSGKFAJ-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=C([O-])c1ccc(CSCCC(=O)NC2CCCCC2)cc1 ZINC000013465137 431557514 /nfs/dbraw/zinc/55/75/14/431557514.db2.gz GRPVYYGELXTDHW-UHFFFAOYSA-N -1 0 321.442 3.457 50 0 DGAARM C[C@H](C[NH2+][C@H](c1ccc(F)cc1)P(=O)([O-])[O-])c1ccccc1 ZINC000012998755 431543215 /nfs/dbraw/zinc/54/32/15/431543215.db2.gz BYMKZRBMSWTANU-WBMJQRKESA-N -1 0 323.304 3.395 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccs1 ZINC000013388080 431553903 /nfs/dbraw/zinc/55/39/03/431553903.db2.gz WQOPBENYWXMVLE-GWJCSSMESA-N -1 0 319.357 3.233 50 0 DGAARM O=C([O-])C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccs1 ZINC000013389895 431554580 /nfs/dbraw/zinc/55/45/80/431554580.db2.gz PCZKPLJIFRLNGH-ZDUSSCGKSA-N -1 0 321.373 3.152 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cccc2cccnc21 ZINC000013947741 431573297 /nfs/dbraw/zinc/57/32/97/431573297.db2.gz SPTKBQPNIPAXNZ-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014257201 431588329 /nfs/dbraw/zinc/58/83/29/431588329.db2.gz VEMMXJRZRBIBOT-UHFFFAOYSA-N -1 0 315.366 3.488 50 0 DGAARM CC1=CC[C@H](C(=O)[O-])[C@@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000026444501 431673997 /nfs/dbraw/zinc/67/39/97/431673997.db2.gz GUJPAOIGOPJEBR-QWRGUYRKSA-N -1 0 316.382 3.292 50 0 DGAARM Cc1nc(C)c(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)o1 ZINC000121274643 431763774 /nfs/dbraw/zinc/76/37/74/431763774.db2.gz HQWHPWOWTSPZEK-UHFFFAOYSA-N -1 0 316.338 3.457 50 0 DGAARM CSc1c(NC(=O)/C=C\C(=O)[O-])cccc1C(F)(F)F ZINC000033365071 431811594 /nfs/dbraw/zinc/81/15/94/431811594.db2.gz KSBYPTHNIMAQQK-WAYWQWQTSA-N -1 0 305.277 3.007 50 0 DGAARM Cc1ccc2c(C)nc([N-]c3ncc4c(n3)CCCC4=O)nc2c1 ZINC000085955660 431843045 /nfs/dbraw/zinc/84/30/45/431843045.db2.gz XQMRAENSVNKCAC-UHFFFAOYSA-N -1 0 319.368 3.299 50 0 DGAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccc(O)cc2oc1=O ZINC000084375264 431823369 /nfs/dbraw/zinc/82/33/69/431823369.db2.gz SKFYEJMLNMTTJA-OAHLLOKOSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000036047768 431834101 /nfs/dbraw/zinc/83/41/01/431834101.db2.gz FWLSZYCFYMQYSO-SJORKVTESA-N -1 0 309.365 3.460 50 0 DGAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000045923024 431891334 /nfs/dbraw/zinc/89/13/34/431891334.db2.gz MZCOBSRCOSWVSP-HUUCEWRRSA-N -1 0 315.756 3.335 50 0 DGAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)C1CC1 ZINC000045967589 431892310 /nfs/dbraw/zinc/89/23/10/431892310.db2.gz ORKPRNJUHBOBBD-UHFFFAOYSA-N -1 0 302.374 3.114 50 0 DGAARM CCc1ccc(/C=C\S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000098056640 431977196 /nfs/dbraw/zinc/97/71/96/431977196.db2.gz GZXJGGYYBYDQRR-KTKRTIGZSA-N -1 0 306.387 3.266 50 0 DGAARM CCC[C@@H](C)c1nnc([N-]C(=O)c2noc(C)c2COC)s1 ZINC000055119901 431977557 /nfs/dbraw/zinc/97/75/57/431977557.db2.gz ZQQGTFCCJKFWHY-MRVPVSSYSA-N -1 0 324.406 3.137 50 0 DGAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000095977875 431930583 /nfs/dbraw/zinc/93/05/83/431930583.db2.gz XZNYTFVMHYLCIB-RXMQYKEDSA-N -1 0 310.564 3.327 50 0 DGAARM C[C@@H](CN(C(=O)c1cc2c(cccc2F)s1)C1CC1)C(=O)[O-] ZINC000095991927 431932723 /nfs/dbraw/zinc/93/27/23/431932723.db2.gz WZAMNLBORNACDY-VIFPVBQESA-N -1 0 321.373 3.366 50 0 DGAARM C[C@@H](Oc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1)C(=O)[O-] ZINC000096248561 431943665 /nfs/dbraw/zinc/94/36/65/431943665.db2.gz DBWFWCINTQLYLI-DUWGPSABSA-N -1 0 312.321 3.140 50 0 DGAARM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cnn(CC)c1 ZINC000096415628 431946882 /nfs/dbraw/zinc/94/68/82/431946882.db2.gz QSJZZOFBPDKAEF-CYBMUJFWSA-N -1 0 307.781 3.143 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2cccc3c[nH]nc32)cc1Cl ZINC000096479724 431952758 /nfs/dbraw/zinc/95/27/58/431952758.db2.gz RCQXDYANKZFTNT-UHFFFAOYSA-N -1 0 315.716 3.167 50 0 DGAARM C[C@@H](Oc1ccc(C(=O)/C=C\c2ccsc2)cc1)C(=O)[O-] ZINC000096765679 431956105 /nfs/dbraw/zinc/95/61/05/431956105.db2.gz VMTNMAMKGVBLLH-IGVIJBNESA-N -1 0 302.351 3.496 50 0 DGAARM Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)n1C(C)C ZINC000097045140 431957780 /nfs/dbraw/zinc/95/77/80/431957780.db2.gz RHTKUKYBWFVCIO-HNNXBMFYSA-N -1 0 320.433 3.403 50 0 DGAARM Cc1cc(F)cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000097045162 431957834 /nfs/dbraw/zinc/95/78/34/431957834.db2.gz KJUBZMYXTNWMFM-ZDUSSCGKSA-N -1 0 307.365 3.097 50 0 DGAARM Cc1cccc2c1N(C(=O)CCc1ccccc1C(=O)[O-])CC2 ZINC000097039173 431957942 /nfs/dbraw/zinc/95/79/42/431957942.db2.gz XBWHIABECMOERB-UHFFFAOYSA-N -1 0 309.365 3.215 50 0 DGAARM CC(C)COC1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000054322184 431969411 /nfs/dbraw/zinc/96/94/11/431969411.db2.gz OFUASVKSOAYUGI-UHFFFAOYSA-N -1 0 321.446 3.034 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)s1 ZINC000101444507 431984513 /nfs/dbraw/zinc/98/45/13/431984513.db2.gz JKMHDTOATCOHEF-UHFFFAOYSA-N -1 0 319.411 3.247 50 0 DGAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1 ZINC000101457085 431984804 /nfs/dbraw/zinc/98/48/04/431984804.db2.gz MMPHEDRGFRZVCM-UHFFFAOYSA-N -1 0 304.353 3.353 50 0 DGAARM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)c2ccccc2O1 ZINC000236758137 281315201 /nfs/dbraw/zinc/31/52/01/281315201.db2.gz LBWYUSASBZLQQJ-LLVKDONJSA-N -1 0 315.325 3.010 50 0 DGAARM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000252508421 432381011 /nfs/dbraw/zinc/38/10/11/432381011.db2.gz XNEMFBFBGNZOKW-UHFFFAOYSA-N -1 0 321.789 3.326 50 0 DGAARM O=S(=O)([N-]c1cncnc1-c1ccccc1)c1cccs1 ZINC000253426318 432396238 /nfs/dbraw/zinc/39/62/38/432396238.db2.gz ZQYZDNJSTMUXEH-UHFFFAOYSA-N -1 0 317.395 3.006 50 0 DGAARM O=C([O-])c1ccccc1[N-][NH+]=Cc1ccc(N2CCCC2)cc1 ZINC000254352721 432402190 /nfs/dbraw/zinc/40/21/90/432402190.db2.gz WIGKWGNFILZUAD-UHFFFAOYSA-N -1 0 309.369 3.431 50 0 DGAARM CCN=c1sc(CC(=O)[O-])c(-c2ccc(Cl)cc2)n1CC ZINC000254466876 432403891 /nfs/dbraw/zinc/40/38/91/432403891.db2.gz ICCVWRBUULMTNY-UHFFFAOYSA-N -1 0 324.833 3.438 50 0 DGAARM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000254841799 432405469 /nfs/dbraw/zinc/40/54/69/432405469.db2.gz VLDLPFAPOAKGKO-UHFFFAOYSA-N -1 0 312.160 3.029 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000261547386 432430563 /nfs/dbraw/zinc/43/05/63/432430563.db2.gz MHAGFEGFRVGDMZ-UHFFFAOYSA-N -1 0 309.365 3.119 50 0 DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cc(C(C)(C)C)on2)C1 ZINC000006698217 281665016 /nfs/dbraw/zinc/66/50/16/281665016.db2.gz LPWQBHZZLPQEIF-NEPJUHHUSA-N -1 0 320.389 3.358 50 0 DGAARM CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)Cc1ccsc1 ZINC000262956784 432509876 /nfs/dbraw/zinc/50/98/76/432509876.db2.gz LRGQGYPMNUHLBX-JTQLQIEISA-N -1 0 307.371 3.133 50 0 DGAARM O=C([O-])C1CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000263028054 432514188 /nfs/dbraw/zinc/51/41/88/432514188.db2.gz KCRFXBULNIIMPF-UHFFFAOYSA-N -1 0 302.374 3.283 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263487539 432548340 /nfs/dbraw/zinc/54/83/40/432548340.db2.gz NFLBHHPLFZLSAM-LBPRGKRZSA-N -1 0 316.382 3.354 50 0 DGAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cc(F)ccc1Cl ZINC000218862516 432659823 /nfs/dbraw/zinc/65/98/23/432659823.db2.gz USRKJISQPUAGDM-SNVBAGLBSA-N -1 0 301.745 3.242 50 0 DGAARM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000225441480 432691727 /nfs/dbraw/zinc/69/17/27/432691727.db2.gz JFEVHKUNNKVKPY-LBPRGKRZSA-N -1 0 307.346 3.141 50 0 DGAARM CC(C)c1nc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000236821735 432765923 /nfs/dbraw/zinc/76/59/23/432765923.db2.gz KJRIQLXOKJUIGN-NSHDSACASA-N -1 0 310.419 3.126 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000238058153 432810502 /nfs/dbraw/zinc/81/05/02/432810502.db2.gz GZZKZUKJJVUBMV-MRXNPFEDSA-N -1 0 301.386 3.109 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000238084228 432811648 /nfs/dbraw/zinc/81/16/48/432811648.db2.gz JSPJAADBARDSGA-LBPRGKRZSA-N -1 0 317.410 3.157 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000238077932 432811654 /nfs/dbraw/zinc/81/16/54/432811654.db2.gz RQWIFMJOCIHGGJ-VIFPVBQESA-N -1 0 307.733 3.023 50 0 DGAARM COc1ccc(C)cc1[C@@H](C(=O)[O-])N(C)Cc1csc(C)n1 ZINC000095361675 295108375 /nfs/dbraw/zinc/10/83/75/295108375.db2.gz OLMPGERSJWIDPF-HNNXBMFYSA-N -1 0 320.414 3.026 50 0 DGAARM COc1cccc(=O)c2c(C)n(-c3ccc(C(=O)[O-])cc3)c(C)c21 ZINC000003999909 295282779 /nfs/dbraw/zinc/28/27/79/295282779.db2.gz DOYOMWGGFUTYAT-UHFFFAOYSA-N -1 0 323.348 3.314 50 0 biogenic DGAARM COc1cccc([C@@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000262124032 295312180 /nfs/dbraw/zinc/31/21/80/295312180.db2.gz HAAXVLXDBOMJSP-UKRRQHHQSA-N -1 0 319.401 3.045 50 0 DGAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1 ZINC000547951994 435657068 /nfs/dbraw/zinc/65/70/68/435657068.db2.gz MVSPIWMNGZQYEC-LLVKDONJSA-N -1 0 323.393 3.102 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000006203643 301784539 /nfs/dbraw/zinc/78/45/39/301784539.db2.gz CEHUAPDITCBLMG-IMJJTQAJSA-N -1 0 303.402 3.372 50 0 DGAARM Cc1cccc(C)c1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006742443 301975309 /nfs/dbraw/zinc/97/53/09/301975309.db2.gz MUQZTVYAHZKJSC-CVSAEHQPSA-N -1 0 301.386 3.379 50 0 DGAARM Cc1cccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000000408714 302037265 /nfs/dbraw/zinc/03/72/65/302037265.db2.gz FBVMEXKJRKVQRJ-DLBZAZTESA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000237580332 302157927 /nfs/dbraw/zinc/15/79/27/302157927.db2.gz BSVYFFMPSGZZJT-CHWSQXEVSA-N -1 0 313.353 3.304 50 0 DGAARM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000263048165 302409300 /nfs/dbraw/zinc/40/93/00/302409300.db2.gz WFMKLFLHSXEUEU-LLVKDONJSA-N -1 0 313.353 3.369 50 0 DGAARM O=C1[N-][C@@H](C(Cl)(Cl)Cl)O[C@H]1C(Cl)(Cl)Cl ZINC000071766990 304821503 /nfs/dbraw/zinc/82/15/03/304821503.db2.gz PMRPYKMXVGTYRU-NPKIIWCNSA-N -1 0 321.802 3.408 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000006726745 333000343 /nfs/dbraw/zinc/00/03/43/333000343.db2.gz LFZYMTPHOSJGOD-NXEZZACHSA-N -1 0 313.300 3.118 50 0 DGAARM COc1ccc(Cn2cc(-c3ccc(CC(=O)[O-])cc3)cn2)cc1 ZINC000534638298 334310158 /nfs/dbraw/zinc/31/01/58/334310158.db2.gz JTINKVSTEBVDTQ-UHFFFAOYSA-N -1 0 322.364 3.234 50 0 DGAARM CCO[C@@H](C)c1ccc(-c2cnc3nc(C(=O)[O-])cn3c2)cc1 ZINC000534641422 334311382 /nfs/dbraw/zinc/31/13/82/334311382.db2.gz PKZKIUCCQCCPOG-NSHDSACASA-N -1 0 311.341 3.192 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2s1 ZINC000084290366 545786367 /nfs/dbraw/zinc/78/63/67/545786367.db2.gz VNUABFSYDNOHCU-NWDGAFQWSA-N -1 0 318.398 3.434 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000317487754 546460942 /nfs/dbraw/zinc/46/09/42/546460942.db2.gz DKYZEUFZZAFGAN-TUAOUCFPSA-N -1 0 321.339 3.211 50 0 DGAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1)c3[O-] ZINC000200452117 575937041 /nfs/dbraw/zinc/93/70/41/575937041.db2.gz WLQCSUXKVDWJTR-LLVKDONJSA-N -1 0 320.348 3.077 50 0 DGAARM Cc1c(NC(=O)[C@@H]2C[C@H]2C)cc(Br)cc1C(=O)[O-] ZINC000863981672 621724153 /nfs/dbraw/zinc/72/41/53/621724153.db2.gz HFFVXEWNWCRUNO-HZGVNTEJSA-N -1 0 312.163 3.050 50 0 DGAARM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/c1ccc(Cl)s1 ZINC000095389912 657452755 /nfs/dbraw/zinc/45/27/55/657452755.db2.gz HGRNRTKHNZWLOQ-GQCTYLIASA-N -1 0 315.822 3.374 50 0 DGAARM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000095970397 657496019 /nfs/dbraw/zinc/49/60/19/657496019.db2.gz XCPPWAJVYGIIFP-OLKPEBQYSA-N -1 0 314.341 3.131 50 0 DGAARM C[C@@H](CCn1cccn1)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000071388797 660120482 /nfs/dbraw/zinc/12/04/82/660120482.db2.gz OISBNDZLNURDAE-ZDUSSCGKSA-N -1 0 310.357 3.096 50 0 DGAARM COc1ccc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1O ZINC000083957457 662198116 /nfs/dbraw/zinc/19/81/16/662198116.db2.gz BYVVBZYGKHKUSM-DUXPYHPUSA-N -1 0 304.323 3.057 50 0 DGAARM C[C@@H](c1ccccc1)N(CC1CCCCC1)C(=O)NCC(=O)[O-] ZINC001506398867 1186221580 /nfs/dbraw/zinc/22/15/80/1186221580.db2.gz GPEWFJJDOVYRNV-AWEZNQCLSA-N -1 0 318.417 3.424 50 0 DGAARM C[C@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000952852416 1096781289 /nfs/dbraw/zinc/78/12/89/1096781289.db2.gz MIKBCSBVQIXKDE-PXAZEXFGSA-N -1 0 309.365 3.185 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)CC2(c3ccccc3)CC2)c1 ZINC000952884206 1096786911 /nfs/dbraw/zinc/78/69/11/1096786911.db2.gz GRYAZRYZWUKTDL-UHFFFAOYSA-N -1 0 309.365 3.123 50 0 DGAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000095498107 185374511 /nfs/dbraw/zinc/37/45/11/185374511.db2.gz IEVCSWORSHRBGG-CYBMUJFWSA-N -1 0 314.385 3.030 50 0 DGAARM CN(Cc1ccccn1)[C@@H](C(=O)[O-])c1ccc(F)cc1Cl ZINC000095521171 185377598 /nfs/dbraw/zinc/37/75/98/185377598.db2.gz ASWCPUBWJSELOX-CQSZACIVSA-N -1 0 308.740 3.132 50 0 DGAARM CC(C)(CC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC000078938403 185131891 /nfs/dbraw/zinc/13/18/91/185131891.db2.gz GPLCYMJNOANFDK-UHFFFAOYSA-N -1 0 314.341 3.313 50 0 DGAARM CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCCCC(=O)[O-] ZINC000062716006 432003818 /nfs/dbraw/zinc/00/38/18/432003818.db2.gz PBNYDSGNTDNCIB-INIZCTEOSA-N -1 0 304.390 3.181 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(F)cc1 ZINC000096999813 185395891 /nfs/dbraw/zinc/39/58/91/185395891.db2.gz QQUDTHVWRIFMNR-SNVBAGLBSA-N -1 0 311.696 3.018 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)on1 ZINC000095424064 185361501 /nfs/dbraw/zinc/36/15/01/185361501.db2.gz BUUDLNQXGTXPFW-SMDDNHRTSA-N -1 0 316.357 3.134 50 0 DGAARM COc1ccc(C)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000095424270 185361508 /nfs/dbraw/zinc/36/15/08/185361508.db2.gz XHJRYTIBAGSHAD-UHFFFAOYSA-N -1 0 313.353 3.273 50 0 DGAARM Cc1cccc(C2(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000095425556 185361648 /nfs/dbraw/zinc/36/16/48/185361648.db2.gz NNSWQFVUMKJBLS-KRWDZBQOSA-N -1 0 323.392 3.011 50 0 DGAARM Cc1occc1C(=O)Nc1ccc(C)c(O[C@@H](C)C(=O)[O-])c1 ZINC000095464502 185371618 /nfs/dbraw/zinc/37/16/18/185371618.db2.gz IRYWCTGISWEAJK-NSHDSACASA-N -1 0 303.314 3.001 50 0 DGAARM CC(C)c1nc([C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC000097022390 185398518 /nfs/dbraw/zinc/39/85/18/185398518.db2.gz IKPGQPJPKVOOEL-JTQLQIEISA-N -1 0 318.398 3.456 50 0 DGAARM Cc1ccc(OCC(=O)Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC000226322674 201775028 /nfs/dbraw/zinc/77/50/28/201775028.db2.gz RZFYOTPVGASBHR-JXMROGBWSA-N -1 0 311.337 3.110 50 0 DGAARM CC(C)(C)c1csc(CNC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000236624877 201939576 /nfs/dbraw/zinc/93/95/76/201939576.db2.gz ZJDUFBNSCRMYQK-UHFFFAOYSA-N -1 0 324.427 3.130 50 0 DGAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000096404936 295783171 /nfs/dbraw/zinc/78/31/71/295783171.db2.gz UIBCVILTCVICCE-WBMJQRKESA-N -1 0 315.344 3.261 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000083956252 192393552 /nfs/dbraw/zinc/39/35/52/192393552.db2.gz BFJKQAQBIAGBDX-UHFFFAOYSA-N -1 0 317.461 3.006 50 0 DGAARM CNc1cc(-c2ccccc2O[C@@H](C)C(=O)[O-])c2cc[nH]c2n1 ZINC000072138714 191047618 /nfs/dbraw/zinc/04/76/18/191047618.db2.gz QNNNHKQUOSCURX-JTQLQIEISA-N -1 0 311.341 3.124 50 0 DGAARM O=C([O-])C1(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000118988958 304028006 /nfs/dbraw/zinc/02/80/06/304028006.db2.gz WGYVVAGKEQWKKQ-QGZVFWFLSA-N -1 0 321.376 3.026 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2)c(Cl)cc1Cl ZINC000000367672 180768610 /nfs/dbraw/zinc/76/86/10/180768610.db2.gz AGIMVGZHZFGCPC-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM O=C([O-])C1(CC(=O)N2CCc3sccc3C2)CCCCC1 ZINC000035280568 304029062 /nfs/dbraw/zinc/02/90/62/304029062.db2.gz PRXYGOWZNIBNCJ-UHFFFAOYSA-N -1 0 307.415 3.058 50 0 DGAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3cccc(Cl)c3)n2)n1 ZINC000000480414 180804142 /nfs/dbraw/zinc/80/41/42/180804142.db2.gz BCJIIYRFKSPLET-UHFFFAOYSA-N -1 0 300.753 3.276 50 0 DGAARM CCCCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002906104 282863884 /nfs/dbraw/zinc/86/38/84/282863884.db2.gz NJAPPTUEIXBLNI-JKSUJKDBSA-N -1 0 317.385 3.471 50 0 DGAARM CCCSc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000002561396 180935355 /nfs/dbraw/zinc/93/53/55/180935355.db2.gz RFEUJJQOPOOYLF-UHFFFAOYSA-N -1 0 324.789 3.086 50 0 DGAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1cccs1 ZINC000002585628 180938004 /nfs/dbraw/zinc/93/80/04/180938004.db2.gz PLONHMGDZHACPU-LBPRGKRZSA-N -1 0 305.355 3.190 50 0 DGAARM O=C([O-])CS[C@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000004108793 181074908 /nfs/dbraw/zinc/07/49/08/181074908.db2.gz RYYSBQYTDNNEGK-HNNXBMFYSA-N -1 0 319.407 3.221 50 0 DGAARM CCc1cc2c(cc1O[C@H](C)C(=O)[O-])oc(=O)c1c2CCCC1 ZINC000004151972 181079065 /nfs/dbraw/zinc/07/90/65/181079065.db2.gz VTUPDIIYFYUVOL-SNVBAGLBSA-N -1 0 316.353 3.086 50 0 DGAARM O=C([O-])CCCC(=O)NCc1csc2ccc(Cl)cc12 ZINC000004324907 181097798 /nfs/dbraw/zinc/09/77/98/181097798.db2.gz PFXFIYPTEOETIT-UHFFFAOYSA-N -1 0 311.790 3.426 50 0 DGAARM O=C([O-])CCCCCNC(=S)Nc1cccc(Cl)c1 ZINC000004506748 181116972 /nfs/dbraw/zinc/11/69/72/181116972.db2.gz FRLAKQGEMRXXHS-UHFFFAOYSA-N -1 0 300.811 3.271 50 0 DGAARM O=C([O-])[C@H]1CS[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004553692 181124189 /nfs/dbraw/zinc/12/41/89/181124189.db2.gz QLDGBUNDYTVRIZ-HZPDHXFCSA-N -1 0 315.394 3.054 50 0 DGAARM Cc1ccc(Nc2nc(Nc3ccccc3)nc(=O)[n-]2)c(C)c1 ZINC000004670702 181134896 /nfs/dbraw/zinc/13/48/96/181134896.db2.gz FROZVYYVWJUMRI-UHFFFAOYSA-N -1 0 307.357 3.269 50 0 DGAARM COc1ccc(C)cc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004776708 181151105 /nfs/dbraw/zinc/15/11/05/181151105.db2.gz IPVQKNZHWRKXSJ-UHFFFAOYSA-N -1 0 300.314 3.346 50 0 DGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000004826766 181157913 /nfs/dbraw/zinc/15/79/13/181157913.db2.gz ZNLCEPJDHBSVKN-AWEZNQCLSA-N -1 0 318.760 3.157 50 0 DGAARM CCc1ccccc1Nc1nnc(Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000005154529 181211026 /nfs/dbraw/zinc/21/10/26/181211026.db2.gz MDEIAEVAUQJQQP-UHFFFAOYSA-N -1 0 324.359 3.201 50 0 DGAARM COc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000005686117 181271857 /nfs/dbraw/zinc/27/18/57/181271857.db2.gz UHCWFUYTNWQEEI-QWHCGFSZSA-N -1 0 303.358 3.081 50 0 DGAARM COc1ccccc1[C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000005880638 181292623 /nfs/dbraw/zinc/29/26/23/181292623.db2.gz WTLXOHDZGPHZDO-ZDUSSCGKSA-N -1 0 300.310 3.031 50 0 biogenic DGAARM Cc1ccc2nc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])C3)sc2c1 ZINC000170625936 432074303 /nfs/dbraw/zinc/07/43/03/432074303.db2.gz VJOFKKSQZJAAHE-UWVGGRQHSA-N -1 0 304.371 3.044 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1cccs1 ZINC000097002855 304074114 /nfs/dbraw/zinc/07/41/14/304074114.db2.gz IFUHSXAOGHUTQP-GFCCVEGCSA-N -1 0 314.366 3.175 50 0 DGAARM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(F)c1 ZINC000237322552 202232265 /nfs/dbraw/zinc/23/22/65/202232265.db2.gz HISWXNYNUYAARO-KBPBESRZSA-N -1 0 321.392 3.423 50 0 DGAARM Cc1cccc([C@H](C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237409131 202258259 /nfs/dbraw/zinc/25/82/59/202258259.db2.gz RRZVGTHEQADICR-LSDHHAIUSA-N -1 0 303.402 3.202 50 0 DGAARM CC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000006168313 181317283 /nfs/dbraw/zinc/31/72/83/181317283.db2.gz QTSNAOXHHDBVOD-PMPSAXMXSA-N -1 0 301.386 3.229 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001383643 304099919 /nfs/dbraw/zinc/09/99/19/304099919.db2.gz NUJRBPAPDJJNKE-VXGBXAGGSA-N -1 0 313.275 3.311 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006313324 181328525 /nfs/dbraw/zinc/32/85/25/181328525.db2.gz YKQXAQLJHPIPED-UHFFFAOYSA-N -1 0 315.803 3.405 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)Nc2cc(C(C)(C)C)on2)[C@H](C(=O)[O-])C1 ZINC000006698218 181371648 /nfs/dbraw/zinc/37/16/48/181371648.db2.gz LPWQBHZZLPQEIF-VXGBXAGGSA-N -1 0 320.389 3.358 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)[O-])C1 ZINC000006729252 181378351 /nfs/dbraw/zinc/37/83/51/181378351.db2.gz QISUJZHVTYTBON-RYUDHWBXSA-N -1 0 308.765 3.121 50 0 DGAARM CC(C)n1ccnc1-c1c(-c2ccccc2)ncn1CC(=O)[O-] ZINC000091585632 193075248 /nfs/dbraw/zinc/07/52/48/193075248.db2.gz LUSCTZVMAJWMMX-UHFFFAOYSA-N -1 0 310.357 3.079 50 0 DGAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2F)C1 ZINC000091663217 193086936 /nfs/dbraw/zinc/08/69/36/193086936.db2.gz RDPPIJVVSUGICE-GOSISDBHSA-N -1 0 319.376 3.489 50 0 DGAARM Cc1cc(C)cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000091951003 193130903 /nfs/dbraw/zinc/13/09/03/193130903.db2.gz SYCCDKXPMQCRGE-ZWKOTPCHSA-N -1 0 323.392 3.244 50 0 DGAARM O=C([O-])C1CCC(NC(=O)Cc2ccc3ccccc3c2)CC1 ZINC000261844268 203130962 /nfs/dbraw/zinc/13/09/62/203130962.db2.gz YZKYUVMXJIJGIJ-UHFFFAOYSA-N -1 0 311.381 3.142 50 0 DGAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000263483134 203472894 /nfs/dbraw/zinc/47/28/94/203472894.db2.gz UYRCLJHWMJWTPQ-IBGZPJMESA-N -1 0 324.380 3.192 50 0 DGAARM Cc1cccnc1C[C@@H](C)n1cc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000095380693 193439375 /nfs/dbraw/zinc/43/93/75/193439375.db2.gz AOBDWHDXCOLICS-CYBMUJFWSA-N -1 0 322.368 3.150 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2coc3ccccc23)C1 ZINC000095959396 193459456 /nfs/dbraw/zinc/45/94/56/193459456.db2.gz BWEHFYQEITXHGX-GFCCVEGCSA-N -1 0 301.342 3.150 50 0 DGAARM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000095969671 193466308 /nfs/dbraw/zinc/46/63/08/193466308.db2.gz HTVMTWATQBZIQP-SSDOTTSWSA-N -1 0 322.748 3.385 50 0 DGAARM COc1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc1OC ZINC000096035421 193492459 /nfs/dbraw/zinc/49/24/59/193492459.db2.gz WCKSELLTEWAVGC-IUNAMMOKSA-N -1 0 317.366 3.429 50 0 DGAARM CC[C@H](C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)on1 ZINC000095989572 193480993 /nfs/dbraw/zinc/48/09/93/193480993.db2.gz ZPIGAHNYQXOFGF-QMMMGPOBSA-N -1 0 306.293 3.278 50 0 DGAARM O=C([O-])c1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000095989977 193481028 /nfs/dbraw/zinc/48/10/28/193481028.db2.gz QRLUPJRKPVYHSB-UHFFFAOYSA-N -1 0 315.291 3.189 50 0 DGAARM CCOc1ccccc1-n1c(=O)cc([O-])nc1SCC(C)C ZINC000013957314 181915294 /nfs/dbraw/zinc/91/52/94/181915294.db2.gz XNUSONHNOFSFST-UHFFFAOYSA-N -1 0 320.414 3.085 50 0 DGAARM Cn1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cn1 ZINC000014177876 181933491 /nfs/dbraw/zinc/93/34/91/181933491.db2.gz QHGCFTBJIPSKOE-XYOKQWHBSA-N -1 0 313.382 3.435 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000015446004 182002274 /nfs/dbraw/zinc/00/22/74/182002274.db2.gz BNUHNLZVJMQDJJ-ZIAGYGMSSA-N -1 0 305.374 3.112 50 0 DGAARM COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)[O-])cc1 ZINC000016578402 182049760 /nfs/dbraw/zinc/04/97/60/182049760.db2.gz VVUMIWJHGFWKAR-UHFFFAOYSA-N -1 0 301.342 3.149 50 0 DGAARM CCc1c([O-])nc(S[C@H](C)CC)n(-c2ccccc2)c1=O ZINC000016662154 182056863 /nfs/dbraw/zinc/05/68/63/182056863.db2.gz UYUYILWKAFCQIO-LLVKDONJSA-N -1 0 304.415 3.391 50 0 DGAARM O=C([O-])CC1(CC(=O)Nc2nc3c(s2)CCCC3)CCCC1 ZINC000017056130 182073388 /nfs/dbraw/zinc/07/33/88/182073388.db2.gz DPFCZLKSJWSYBU-UHFFFAOYSA-N -1 0 322.430 3.386 50 0 DGAARM Cc1ccc(NC(=O)Cc2c([O-])c3ccccc3[nH]c2=O)c(C)c1 ZINC000018085627 182092939 /nfs/dbraw/zinc/09/29/39/182092939.db2.gz NKNDSSKIUXUHPK-UHFFFAOYSA-N -1 0 322.364 3.032 50 0 DGAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000008274416 304178446 /nfs/dbraw/zinc/17/84/46/304178446.db2.gz JLUASDQBDSOCRJ-GFCCVEGCSA-N -1 0 307.415 3.096 50 0 DGAARM COc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000021022857 182261447 /nfs/dbraw/zinc/26/14/47/182261447.db2.gz VPXIBAJRKMTWIA-UHFFFAOYSA-N -1 0 313.353 3.273 50 0 DGAARM N#CNc1nc(C=Cc2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000021581099 182280596 /nfs/dbraw/zinc/28/05/96/182280596.db2.gz WUFYSMAJHMYCQG-ZHACJKMWSA-N -1 0 315.336 3.308 50 0 DGAARM COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000032496805 182644433 /nfs/dbraw/zinc/64/44/33/182644433.db2.gz GMYUEBZYFFJSGU-WDEREUQCSA-N -1 0 323.776 3.263 50 0 DGAARM O=C([N-]c1nncs1)c1cc(-c2cccc(Cl)c2)on1 ZINC000032830356 182669700 /nfs/dbraw/zinc/66/97/00/182669700.db2.gz JTRKFTSPVMHLHX-UHFFFAOYSA-N -1 0 306.734 3.099 50 0 DGAARM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000135985812 432142145 /nfs/dbraw/zinc/14/21/45/432142145.db2.gz NYVWJFYNBZNBJV-GFCCVEGCSA-N -1 0 318.398 3.090 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000037500809 182900897 /nfs/dbraw/zinc/90/08/97/182900897.db2.gz TZVCTNHRVWCITN-AEJSXWLSSA-N -1 0 313.806 3.246 50 0 DGAARM COc1ccc(Cn2c(Br)ccc2C(=O)[O-])cc1 ZINC000038537468 183001634 /nfs/dbraw/zinc/00/16/34/183001634.db2.gz JCDFRDVOMCCEBQ-UHFFFAOYSA-N -1 0 310.147 3.006 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)c1ccc(F)cc1 ZINC000038580538 183003132 /nfs/dbraw/zinc/00/31/32/183003132.db2.gz YSOYIRVLNFPVDR-OAHLLOKOSA-N -1 0 317.316 3.268 50 0 DGAARM O=C([O-])C1CCC(NC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000040574301 183104154 /nfs/dbraw/zinc/10/41/54/183104154.db2.gz CMKVJSWTARQPNP-UHFFFAOYSA-N -1 0 314.744 3.244 50 0 DGAARM O=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCCCC1)C2=O ZINC000041127921 183169836 /nfs/dbraw/zinc/16/98/36/183169836.db2.gz FHPUMRCOFCYLKU-UHFFFAOYSA-N -1 0 301.342 3.094 50 0 DGAARM COc1ccc(-c2cc(=O)c3cc(CC(=O)[O-])ccc3o2)cc1 ZINC000043190833 183343879 /nfs/dbraw/zinc/34/38/79/183343879.db2.gz XBPBZYQYVNAXRM-UHFFFAOYSA-N -1 0 310.305 3.096 50 0 DGAARM CCc1sc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000043584150 183373489 /nfs/dbraw/zinc/37/34/89/183373489.db2.gz IWWQAVBASKXBBO-LBPRGKRZSA-N -1 0 309.431 3.336 50 0 DGAARM Cc1nc(C(C)C)sc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000058365127 184109523 /nfs/dbraw/zinc/10/95/23/184109523.db2.gz DKUIKFZSCRGVOR-UHFFFAOYSA-N -1 0 310.419 3.092 50 0 DGAARM O=C([O-])C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1Cl ZINC000058308185 184103578 /nfs/dbraw/zinc/10/35/78/184103578.db2.gz QOMCGUDNJXXAIO-FZMZJTMJSA-N -1 0 307.777 3.328 50 0 DGAARM COc1ccc(N(CCCC(=O)[O-])C(=O)c2ccccc2)cc1 ZINC000060021186 184143475 /nfs/dbraw/zinc/14/34/75/184143475.db2.gz SEAUOMCBEOWBOZ-UHFFFAOYSA-N -1 0 313.353 3.207 50 0 DGAARM O=C(Nc1cccc(Cl)c1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215161 184314718 /nfs/dbraw/zinc/31/47/18/184314718.db2.gz KFFJAKUDZRQTJK-UHFFFAOYSA-N -1 0 320.757 3.201 50 0 DGAARM CCNC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2F)cc1F ZINC000065354912 184327375 /nfs/dbraw/zinc/32/73/75/184327375.db2.gz ZBCMEMCAMPNWSE-UHFFFAOYSA-N -1 0 305.280 3.080 50 0 DGAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1CCCO ZINC000065420996 184341686 /nfs/dbraw/zinc/34/16/86/184341686.db2.gz MEWGCCYQXNDJCA-UHFFFAOYSA-N -1 0 322.364 3.298 50 0 DGAARM O=C([O-])c1ccc(I)c(C(F)(F)F)c1 ZINC000016159878 304245761 /nfs/dbraw/zinc/24/57/61/304245761.db2.gz TZAMLJCNESLFDI-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2C(F)(F)F ZINC000066089647 304274083 /nfs/dbraw/zinc/27/40/83/304274083.db2.gz WAGSRBQYKITVNO-SNVBAGLBSA-N -1 0 324.258 3.164 50 0 DGAARM O=C([O-])c1ccccc1C(=O)N1CCS[C@H]1c1ccccc1 ZINC000003683709 257211367 /nfs/dbraw/zinc/21/13/67/257211367.db2.gz WRSHJIRVPWLJSZ-INIZCTEOSA-N -1 0 313.378 3.273 50 0 DGAARM O=C([O-])c1ccc(C(=O)Nc2cc(F)c(F)cc2F)c(F)c1 ZINC000358595451 257236236 /nfs/dbraw/zinc/23/62/36/257236236.db2.gz RBBOIFUMKCGBHY-UHFFFAOYSA-N -1 0 313.206 3.194 50 0 DGAARM CC[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000238899646 257260161 /nfs/dbraw/zinc/26/01/61/257260161.db2.gz GYNOORPTNAEXOA-FVQBIDKESA-N -1 0 303.402 3.187 50 0 DGAARM O=C([O-])c1ccc(Nc2nc(-c3ccccc3)cc(=O)o2)cc1 ZINC000022242070 400199541 /nfs/dbraw/zinc/19/95/41/400199541.db2.gz IBYFBSONWCMPMJ-UHFFFAOYSA-N -1 0 308.293 3.144 50 0 DGAARM Cc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1 ZINC000072233690 400375794 /nfs/dbraw/zinc/37/57/94/400375794.db2.gz DXRSFPLZBXXHCL-UONOGXRCSA-N -1 0 305.374 3.173 50 0 DGAARM CN1CCCc2cc(NC(=O)c3c([O-])cc(F)cc3F)ccc21 ZINC000170623587 400767204 /nfs/dbraw/zinc/76/72/04/400767204.db2.gz OGYRIFHSWWLMAL-UHFFFAOYSA-N -1 0 318.323 3.305 50 0 DGAARM COc1ccc(OC(C)C)c(NC(=O)NOCC(F)(F)F)c1 ZINC000170670313 400768463 /nfs/dbraw/zinc/76/84/63/400768463.db2.gz LQHLTJUXCJETHD-UHFFFAOYSA-N -1 0 322.283 3.098 50 0 DGAARM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000079060074 400844229 /nfs/dbraw/zinc/84/42/29/400844229.db2.gz KJKVJUNIOWBAOT-UHFFFAOYSA-N -1 0 317.366 3.034 50 0 DGAARM Cc1ccc(S(=O)(=O)c2c[n-]c3c(F)cccc3c2=O)cc1 ZINC000015828767 292187112 /nfs/dbraw/zinc/18/71/12/292187112.db2.gz JVRJKUHNKOCSBW-UHFFFAOYSA-N -1 0 317.341 3.221 50 0 DGAARM C[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccs1 ZINC000621557324 401251975 /nfs/dbraw/zinc/25/19/75/401251975.db2.gz DLMQUWBTXFICSG-JTQLQIEISA-N -1 0 301.367 3.092 50 0 DGAARM CC[C@@H]1CCCCN1c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000818816 287017900 /nfs/dbraw/zinc/01/79/00/287017900.db2.gz DMVITXLWUZPSOL-CQSZACIVSA-N -1 0 304.390 3.259 50 0 DGAARM Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000261736580 165742382 /nfs/dbraw/zinc/74/23/82/165742382.db2.gz HZMYKEKRRIAJME-CYBMUJFWSA-N -1 0 315.373 3.096 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)s1 ZINC000263528626 165876048 /nfs/dbraw/zinc/87/60/48/165876048.db2.gz LJGBUIWMIYZNKX-SNVBAGLBSA-N -1 0 315.822 3.190 50 0 DGAARM Cc1noc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1C ZINC000131316692 196159737 /nfs/dbraw/zinc/15/97/37/196159737.db2.gz XQKXTQJGQOSQIK-UHFFFAOYSA-N -1 0 324.402 3.188 50 0 DGAARM Cc1cc(Cl)cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000133818350 196338279 /nfs/dbraw/zinc/33/82/79/196338279.db2.gz KOHXVXUVAWTKKC-GFCCVEGCSA-N -1 0 309.793 3.365 50 0 DGAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000299744983 229384584 /nfs/dbraw/zinc/38/45/84/229384584.db2.gz QLJQECFZLPYHMA-QUINOFQRSA-N -1 0 321.804 3.203 50 0 DGAARM Cc1ccc(F)cc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006727128 262535456 /nfs/dbraw/zinc/53/54/56/262535456.db2.gz ONRIVDCJWZRPMT-RLNQVHQUSA-N -1 0 305.349 3.210 50 0 DGAARM CC(C)(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004845948 278294078 /nfs/dbraw/zinc/29/40/78/278294078.db2.gz LVSQMYPHIIGMFL-UHFFFAOYSA-N -1 0 300.152 3.132 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(c2cccc(C(=O)[O-])c2)CC1 ZINC000002577347 278382892 /nfs/dbraw/zinc/38/28/92/278382892.db2.gz PDPYHAXCPUSEMT-UHFFFAOYSA-N -1 0 305.374 3.499 50 0 DGAARM CC1(C)[C@@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-] ZINC000000125511 431130074 /nfs/dbraw/zinc/13/00/74/431130074.db2.gz HAUCCCPJLQSBIQ-ACJLOTCBSA-N -1 0 301.386 3.103 50 0 biogenic DGAARM CC[C@@H](C(=O)[O-])n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000144654 431133982 /nfs/dbraw/zinc/13/39/82/431133982.db2.gz AEWDMEJCOMCECV-LBPRGKRZSA-N -1 0 314.366 3.161 50 0 DGAARM Cc1nn(Cc2cccc(C(=O)[O-])c2)c(C)c1Br ZINC000000161235 431137397 /nfs/dbraw/zinc/13/73/97/431137397.db2.gz HSTGVTRSHDNWHK-UHFFFAOYSA-N -1 0 309.163 3.009 50 0 DGAARM Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)[O-] ZINC000000167574 431136219 /nfs/dbraw/zinc/13/62/19/431136219.db2.gz PXLDNTZHJFLCCC-UHFFFAOYSA-N -1 0 300.236 3.238 50 0 DGAARM COc1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000152781 431136422 /nfs/dbraw/zinc/13/64/22/431136422.db2.gz KZHZIPGFHPRPGL-CQSZACIVSA-N -1 0 313.353 3.282 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000108462604 431142363 /nfs/dbraw/zinc/14/23/63/431142363.db2.gz YGSJUJLXTXHZGE-APHBMKBZSA-N -1 0 319.376 3.033 50 0 DGAARM O=S(=O)(Nc1cccc(Br)c1)c1ccccc1 ZINC000000344817 431168046 /nfs/dbraw/zinc/16/80/46/431168046.db2.gz PNTFBASRFYOFKZ-UHFFFAOYSA-N -1 0 312.188 3.250 50 0 DGAARM Cc1ccc(SCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000329037 431169144 /nfs/dbraw/zinc/16/91/44/431169144.db2.gz QILBNORAAWCURQ-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4ccccc4)cc3n2)cc1 ZINC000000352727 431171053 /nfs/dbraw/zinc/17/10/53/431171053.db2.gz LICQQIAVTLWAIU-UHFFFAOYSA-N -1 0 317.348 3.365 50 0 DGAARM O=C([O-])c1cc(NCn2c3ccccc3oc2=S)ccc1O ZINC000000409855 431177495 /nfs/dbraw/zinc/17/74/95/431177495.db2.gz OTDLPIPBCZICFV-UHFFFAOYSA-N -1 0 316.338 3.437 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2ccccn2)c(Cl)cc1Cl ZINC000000452344 431185453 /nfs/dbraw/zinc/18/54/53/431185453.db2.gz SWSNAQIEKPAXDG-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)[N-]C2=O)o1 ZINC000000573801 431201799 /nfs/dbraw/zinc/20/17/99/431201799.db2.gz NWAJWEJHKKWALJ-KPKJPENVSA-N -1 0 302.717 3.089 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000000274357 431159929 /nfs/dbraw/zinc/15/99/29/431159929.db2.gz JXAHGEJYVXYTAF-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1ccc2c(c1)oc(-c1ccco1)c(O[C@H](C)C(=O)[O-])c2=O ZINC000001910770 431243147 /nfs/dbraw/zinc/24/31/47/431243147.db2.gz MTXPICZJVCAGSB-SNVBAGLBSA-N -1 0 314.293 3.213 50 0 DGAARM CCCCc1cc(=O)oc2cc(OCC(=O)[O-])c(Cl)cc12 ZINC000002370866 431251072 /nfs/dbraw/zinc/25/10/72/431251072.db2.gz RADNIFQJNZXAET-UHFFFAOYSA-N -1 0 310.733 3.252 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000003128516 431285358 /nfs/dbraw/zinc/28/53/58/431285358.db2.gz YYEHGTCFLMYWQI-UHFFFAOYSA-N -1 0 309.774 3.343 50 0 DGAARM O=C([O-])c1cnc2cc(N3CCCCCC3)c(F)cc2c1O ZINC000003684672 431292050 /nfs/dbraw/zinc/29/20/50/431292050.db2.gz WZOOVGWRAJXXHD-UHFFFAOYSA-N -1 0 304.321 3.158 50 0 DGAARM Cc1ccc(C)c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])c1 ZINC000003957444 431292489 /nfs/dbraw/zinc/29/24/89/431292489.db2.gz AKLSDINPRZDWAG-QWHCGFSZSA-N -1 0 307.777 3.475 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(Cl)cn2)[C@H](C(=O)[O-])C1 ZINC000006729251 431318332 /nfs/dbraw/zinc/31/83/32/431318332.db2.gz QISUJZHVTYTBON-VXGBXAGGSA-N -1 0 308.765 3.121 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1cc(F)ccc1F ZINC000007709491 431360420 /nfs/dbraw/zinc/36/04/20/431360420.db2.gz OQAZHTCNRVYXJX-UHFFFAOYSA-N -1 0 320.320 3.314 50 0 DGAARM CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000008197941 431383875 /nfs/dbraw/zinc/38/38/75/431383875.db2.gz SHYYPGOGZJLYIA-GZMMTYOYSA-N -1 0 318.295 3.326 50 0 DGAARM COc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1 ZINC000008208944 431384201 /nfs/dbraw/zinc/38/42/01/431384201.db2.gz ODMLHFXGSTYHIH-UHFFFAOYSA-N -1 0 323.377 3.451 50 0 DGAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccs2)cc1 ZINC000008312543 431393451 /nfs/dbraw/zinc/39/34/51/431393451.db2.gz LUKCBOLQSZTQKB-HNNXBMFYSA-N -1 0 317.410 3.321 50 0 DGAARM Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)[O-] ZINC000011920472 431487212 /nfs/dbraw/zinc/48/72/12/431487212.db2.gz TZIXOYLRTZIKNO-UHFFFAOYSA-N -1 0 309.163 3.009 50 0 DGAARM Cc1ccc(Cl)cc1-c1ccc(/C=C2\NC(=O)[N-]C2=O)o1 ZINC000012548841 431515577 /nfs/dbraw/zinc/51/55/77/431515577.db2.gz NWAJWEJHKKWALJ-GHXNOFRVSA-N -1 0 302.717 3.089 50 0 DGAARM COc1cc(C)ccc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000012552649 431515806 /nfs/dbraw/zinc/51/58/06/431515806.db2.gz QDTDBLUVYUETJX-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM O=C([O-])C[C@H](NC(=O)Cc1ccccc1Cl)c1cccs1 ZINC000013388127 431554881 /nfs/dbraw/zinc/55/48/81/431554881.db2.gz QUYGEMJZTPFUSK-LBPRGKRZSA-N -1 0 323.801 3.276 50 0 DGAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccn1)CCC3 ZINC000017053509 431615016 /nfs/dbraw/zinc/61/50/16/431615016.db2.gz MNRJTNKCDVSKAF-UHFFFAOYSA-N -1 0 315.423 3.053 50 0 DGAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccncc1)CCC3 ZINC000017053498 431616952 /nfs/dbraw/zinc/61/69/52/431616952.db2.gz XVTOVEOLBUEOIJ-UHFFFAOYSA-N -1 0 315.423 3.053 50 0 DGAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000028781175 431711222 /nfs/dbraw/zinc/71/12/22/431711222.db2.gz NIZUJCZSFOLPQO-UHFFFAOYSA-N -1 0 305.252 3.044 50 0 DGAARM CCO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000029441205 431722290 /nfs/dbraw/zinc/72/22/90/431722290.db2.gz UMWQWJNITHPPCB-QGZVFWFLSA-N -1 0 309.369 3.062 50 0 DGAARM Cc1n[nH]c(SC(=Cc2ccccc2OC(C)C)C(=O)[O-])n1 ZINC000033323686 431812416 /nfs/dbraw/zinc/81/24/16/431812416.db2.gz NBIDALSYBBDZES-JYRVWZFOSA-N -1 0 319.386 3.118 50 0 DGAARM O=C([O-])c1cccc2c(-c3cnn(-c4ccccc4)c3)n[nH]c21 ZINC000031992310 431770380 /nfs/dbraw/zinc/77/03/80/431770380.db2.gz UEUSKCRWTWAZAL-UHFFFAOYSA-N -1 0 304.309 3.114 50 0 DGAARM Cc1nc2sccn2c1CNc1cc(C(=O)[O-])ccc1F ZINC000037305145 431846028 /nfs/dbraw/zinc/84/60/28/431846028.db2.gz CJXMEPSZFALFHO-UHFFFAOYSA-N -1 0 305.334 3.154 50 0 DGAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000037827888 431850847 /nfs/dbraw/zinc/85/08/47/431850847.db2.gz DNCSHJZIKVHEGL-OLZOCXBDSA-N -1 0 321.423 3.059 50 0 DGAARM O=C([O-])[C@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000037973287 431852635 /nfs/dbraw/zinc/85/26/35/431852635.db2.gz UJRAVMPRKYCLAV-MRVPVSSYSA-N -1 0 302.079 3.271 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000038540374 431855699 /nfs/dbraw/zinc/85/56/99/431855699.db2.gz CALATTICCPJTQS-KBPBESRZSA-N -1 0 305.374 3.459 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000038540370 431856035 /nfs/dbraw/zinc/85/60/35/431856035.db2.gz CALATTICCPJTQS-UONOGXRCSA-N -1 0 305.374 3.459 50 0 DGAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000036047770 431833787 /nfs/dbraw/zinc/83/37/87/431833787.db2.gz FWLSZYCFYMQYSO-IRXDYDNUSA-N -1 0 309.365 3.460 50 0 DGAARM O=C([O-])Cc1csc(-c2ccc(Br)s2)n1 ZINC000036379601 431838444 /nfs/dbraw/zinc/83/84/44/431838444.db2.gz ORFOKEUMASJJBP-UHFFFAOYSA-N -1 0 304.190 3.261 50 0 DGAARM CCSCCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380768 431924239 /nfs/dbraw/zinc/92/42/39/431924239.db2.gz SCCUMAAOFZRWRI-HNNXBMFYSA-N -1 0 321.442 3.234 50 0 DGAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCc2ccccc21 ZINC000044917330 431879130 /nfs/dbraw/zinc/87/91/30/431879130.db2.gz SDTSBBYDJIVSGJ-UHFFFAOYSA-N -1 0 323.377 3.201 50 0 DGAARM O=C([O-])[C@@H](NC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000054500767 431971517 /nfs/dbraw/zinc/97/15/17/431971517.db2.gz HSQMZOQUELHCFO-NSHDSACASA-N -1 0 309.774 3.148 50 0 DGAARM O=c1nc(-c2ncccn2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000054752071 431973016 /nfs/dbraw/zinc/97/30/16/431973016.db2.gz IDDMLPLZOVMHBU-UHFFFAOYSA-N -1 0 324.340 3.248 50 0 DGAARM COCc1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1OC ZINC000055060757 431975526 /nfs/dbraw/zinc/97/55/26/431975526.db2.gz LNYHOAHBLXAQJB-UHFFFAOYSA-N -1 0 312.325 3.083 50 0 DGAARM CC[C@H](NC(=O)c1cccc(NCC(=O)[O-])c1)c1ccccc1 ZINC000055168581 431977671 /nfs/dbraw/zinc/97/76/71/431977671.db2.gz WDAPQIIMCNWTHO-INIZCTEOSA-N -1 0 312.369 3.064 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)C2(Cc3ccccc3)CCC2)o1 ZINC000095989529 431932480 /nfs/dbraw/zinc/93/24/80/431932480.db2.gz MEJZMXPVRSEJIE-UHFFFAOYSA-N -1 0 313.353 3.007 50 0 DGAARM C[C@H]1CCCC[C@H]1N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000095991812 431932949 /nfs/dbraw/zinc/93/29/49/431932949.db2.gz IGVAKTSETRULGA-XJKSGUPXSA-N -1 0 303.402 3.355 50 0 DGAARM CC(C)(C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)no1 ZINC000095989563 431932986 /nfs/dbraw/zinc/93/29/86/431932986.db2.gz HMFRUMZFDKFRSP-UHFFFAOYSA-N -1 0 306.293 3.062 50 0 DGAARM CSCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000096452128 431950943 /nfs/dbraw/zinc/95/09/43/431950943.db2.gz RMVKUAUIKWXSPC-UHFFFAOYSA-N -1 0 310.600 3.110 50 0 DGAARM O=C([O-])c1ccc2[nH]c(-c3cccc(Cn4cccn4)c3)nc2c1 ZINC000055413315 431981949 /nfs/dbraw/zinc/98/19/49/431981949.db2.gz AUWHKENKBJBACU-UHFFFAOYSA-N -1 0 318.336 3.173 50 0 DGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1cc(C(F)(F)F)[nH]n1 ZINC000101432269 431984623 /nfs/dbraw/zinc/98/46/23/431984623.db2.gz HPFWGEHJSQFKPQ-UHFFFAOYSA-N -1 0 308.263 3.295 50 0 DGAARM CCN(N=Cc1ccc(OCC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000254375618 432401759 /nfs/dbraw/zinc/40/17/59/432401759.db2.gz AWBWXGGLVVSUDC-UHFFFAOYSA-N -1 0 312.369 3.319 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000261661800 432438935 /nfs/dbraw/zinc/43/89/35/432438935.db2.gz KRBIDNXXMFYPBA-QGZVFWFLSA-N -1 0 324.380 3.084 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)Nc2cccnc2Cl)[C@H](C(=O)[O-])C1 ZINC000017031880 281662933 /nfs/dbraw/zinc/66/29/33/281662933.db2.gz GBOYBBCZCXOILB-GHMZBOCLSA-N -1 0 308.765 3.121 50 0 DGAARM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@H]2C)[C@H](C(=O)[O-])C1 ZINC000252327487 281664050 /nfs/dbraw/zinc/66/40/50/281664050.db2.gz FIDBMEIPDKUXJV-VNQPRFMTSA-N -1 0 313.397 3.411 50 0 DGAARM Cc1cc(C)cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000193099536 432449450 /nfs/dbraw/zinc/44/94/50/432449450.db2.gz GNSXPLXHOCPNKJ-LJQANCHMSA-N -1 0 311.381 3.076 50 0 DGAARM O=C([O-])/C=C/c1cc(F)cc(Br)c1Br ZINC000263624687 432560988 /nfs/dbraw/zinc/56/09/88/432560988.db2.gz SPTWHRXPXIDIEE-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM Cc1ccsc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263183996 432525694 /nfs/dbraw/zinc/52/56/94/432525694.db2.gz XEAYKFHQUKIKNF-NSHDSACASA-N -1 0 319.382 3.011 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000195551016 432627887 /nfs/dbraw/zinc/62/78/87/432627887.db2.gz DCXCWXWFNSMODT-KURKYZTESA-N -1 0 323.392 3.267 50 0 DGAARM CC[Si](CC)(CC)CC[P@@](=O)([O-])CN1CCOCC1 ZINC000195798872 432635579 /nfs/dbraw/zinc/63/55/79/432635579.db2.gz VZWPTIBNVFHPTP-UHFFFAOYSA-N -1 0 307.447 3.055 50 0 DGAARM O=C(c1ccc2ccccc2c1O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000225510046 432693478 /nfs/dbraw/zinc/69/34/78/432693478.db2.gz SGLSNUDFAISXNJ-IAGOWNOFSA-N -1 0 311.381 3.329 50 0 DGAARM CCc1cc(=O)[nH]c(-c2ccc(N3CC[C@H]4CCCC[C@H]43)nc2)n1 ZINC000225575838 432694136 /nfs/dbraw/zinc/69/41/36/432694136.db2.gz JOLYNMSQWGSNHS-CZUORRHYSA-N -1 0 324.428 3.163 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000238000658 432807860 /nfs/dbraw/zinc/80/78/60/432807860.db2.gz KQFLJLIPVYMFMV-ZDUSSCGKSA-N -1 0 315.394 3.151 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ccccc3F)s2)C1 ZINC000238100522 432811595 /nfs/dbraw/zinc/81/15/95/432811595.db2.gz MXDDISWAYLIBKN-JTQLQIEISA-N -1 0 319.357 3.101 50 0 DGAARM CCC[C@@H](NC(=O)c1ccc(O)cc1F)[C@@H](O)c1ccccc1 ZINC000280528624 433072394 /nfs/dbraw/zinc/07/23/94/433072394.db2.gz JMECBDMPZYXBBA-SJORKVTESA-N -1 0 317.360 3.163 50 0 DGAARM Cc1cc(C)cc(CSCC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000299799005 433387413 /nfs/dbraw/zinc/38/74/13/433387413.db2.gz PXBQWEPEAWPHFP-UHFFFAOYSA-N -1 0 321.442 3.050 50 0 DGAARM COc1cc2c(cc1-c1nc3cc(C(=O)[O-])ccc3[nH]1)O[C@H](C)C2 ZINC000048877325 295032315 /nfs/dbraw/zinc/03/23/15/295032315.db2.gz VENVUUDILZSJKX-SECBINFHSA-N -1 0 324.336 3.260 50 0 DGAARM COc1ccc(-c2cc(C(=O)[O-])n3nc(C)c(Cl)c3n2)cc1 ZINC000036615710 295046124 /nfs/dbraw/zinc/04/61/24/295046124.db2.gz HMHXTXZBCWTYCA-UHFFFAOYSA-N -1 0 317.732 3.065 50 0 DGAARM COc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000004976848 295161507 /nfs/dbraw/zinc/16/15/07/295161507.db2.gz MMZUCRRTSASPKO-LSDHHAIUSA-N -1 0 303.358 3.081 50 0 DGAARM CCC[C@H](C(=O)[O-])[S@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000408520267 434582916 /nfs/dbraw/zinc/58/29/16/434582916.db2.gz ZPJQMECHCRIOPD-BIBXISHDSA-N -1 0 308.321 3.207 50 0 DGAARM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000237577875 297293189 /nfs/dbraw/zinc/29/31/89/297293189.db2.gz RMUSIMDATWIUKS-ZYHUDNBSSA-N -1 0 317.316 3.135 50 0 DGAARM CC(C)(C)[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000535617425 435339828 /nfs/dbraw/zinc/33/98/28/435339828.db2.gz QOBJDSNWLYDSSL-LBPRGKRZSA-N -1 0 303.280 3.092 50 0 DGAARM CCCc1n[n-]c(=NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)s1 ZINC000646186010 435806466 /nfs/dbraw/zinc/80/64/66/435806466.db2.gz ZNDKONSGEDUJKR-ZDUSSCGKSA-N -1 0 320.462 3.121 50 0 DGAARM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(C(F)F)cc1F ZINC000659781305 436525123 /nfs/dbraw/zinc/52/51/23/436525123.db2.gz AJZYNLRIRRXCEY-UHFFFAOYSA-N -1 0 317.307 3.336 50 0 DGAARM COc1cccc(C2(NC(=O)c3cc(F)c([O-])c(F)c3)CC2)c1 ZINC000097377204 323210779 /nfs/dbraw/zinc/21/07/79/323210779.db2.gz IYEPESHSSGNJPQ-UHFFFAOYSA-N -1 0 319.307 3.098 50 0 DGAARM CC(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)nc1 ZINC000578767560 323780540 /nfs/dbraw/zinc/78/05/40/323780540.db2.gz WGJUXNPQWNUWOS-UHFFFAOYSA-N -1 0 312.369 3.175 50 0 DGAARM CC[Si](CC)(CC)CC[P@@](=O)([O-])CN1CCCC1=O ZINC000195816624 500743749 /nfs/dbraw/zinc/74/37/49/500743749.db2.gz PVOUNGFJPKPTDZ-UHFFFAOYSA-N -1 0 305.431 3.345 50 0 DGAARM O=C([O-])C1(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000426389237 534483901 /nfs/dbraw/zinc/48/39/01/534483901.db2.gz IJNZIHBZBZKHDQ-UHFFFAOYSA-N -1 0 321.804 3.275 50 0 DGAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000032971281 545669294 /nfs/dbraw/zinc/66/92/94/545669294.db2.gz XGNAYQLHRVGRJP-UHFFFAOYSA-N -1 0 322.317 3.183 50 0 DGAARM COc1ccc(Br)cc1-c1ncc(C(=O)[O-])s1 ZINC000036930160 545670434 /nfs/dbraw/zinc/67/04/34/545670434.db2.gz FCUVWLKDBVRXIK-UHFFFAOYSA-N -1 0 314.160 3.279 50 0 DGAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000170043828 563902847 /nfs/dbraw/zinc/90/28/47/563902847.db2.gz AACKMQZTNGJCKZ-GWCFXTLKSA-N -1 0 321.373 3.323 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000746346786 575447628 /nfs/dbraw/zinc/44/76/28/575447628.db2.gz HTOSORJVRBPPIS-LMVHVUTASA-N -1 0 301.367 3.094 50 0 DGAARM Cc1cc(NC(=O)c2ccnn2C2CCCC2)ccc1C(=O)[O-] ZINC000262941154 602246797 /nfs/dbraw/zinc/24/67/97/602246797.db2.gz LLWNTAQXXXSDHT-UHFFFAOYSA-N -1 0 313.357 3.257 50 0 DGAARM Cc1onc(-c2cc(F)ccc2Br)c1C(=O)[O-] ZINC000235958666 617748873 /nfs/dbraw/zinc/74/88/73/617748873.db2.gz WIGFZLCRZTXEPD-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM Cc1c(NC(=O)[C@H]2C[C@@H]2C)cc(Br)cc1C(=O)[O-] ZINC000863981675 621724335 /nfs/dbraw/zinc/72/43/35/621724335.db2.gz HFFVXEWNWCRUNO-RCOVLWMOSA-N -1 0 312.163 3.050 50 0 DGAARM Cc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000844245960 630714170 /nfs/dbraw/zinc/71/41/70/630714170.db2.gz FXUWILBJZGXABX-GFCCVEGCSA-N -1 0 303.383 3.310 50 0 DGAARM O=C([O-])c1ccc(/C=C/c2cnc(-c3cccnc3)s2)nc1 ZINC000089794117 657940925 /nfs/dbraw/zinc/94/09/25/657940925.db2.gz QLEWHRQMYXHDFW-AATRIKPKSA-N -1 0 309.350 3.469 50 0 DGAARM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000263273307 658188199 /nfs/dbraw/zinc/18/81/99/658188199.db2.gz WHLKFKMAFWPZQC-HNNXBMFYSA-N -1 0 324.380 3.188 50 0 DGAARM O=C([O-])/C=C/CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000044980428 658933278 /nfs/dbraw/zinc/93/32/78/658933278.db2.gz OCCPQLFLKOLWRZ-HNQUOIGGSA-N -1 0 312.325 3.188 50 0 DGAARM Cc1ccsc1[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000226849795 659140337 /nfs/dbraw/zinc/14/03/37/659140337.db2.gz UEFZORVRDCZIAR-CYBMUJFWSA-N -1 0 319.382 3.499 50 0 DGAARM CC(C)[C@H](C(=O)[O-])n1ccnc1-c1nc2c(s1)CCCC2 ZINC000082107999 685062641 /nfs/dbraw/zinc/06/26/41/685062641.db2.gz WDEYAMXLEUEFJY-GFCCVEGCSA-N -1 0 305.403 3.167 50 0 DGAARM CC(C)NC(=O)c1ccnc(-c2cc(Cl)c([O-])cc2F)c1 ZINC001772710944 1176676816 /nfs/dbraw/zinc/67/68/16/1176676816.db2.gz UTPLMALSDDDLAN-UHFFFAOYSA-N -1 0 308.740 3.385 50 0 DGAARM CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1CC(C)C ZINC001505840739 1186146500 /nfs/dbraw/zinc/14/65/00/1186146500.db2.gz YDIFCVPDLGJGPX-HZPDHXFCSA-N -1 0 314.385 3.113 50 0 DGAARM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(O)cc(C(=O)[O-])c2)CC1 ZINC001506398929 1186222204 /nfs/dbraw/zinc/22/22/04/1186222204.db2.gz HVEJJLVPTJYHRI-AWEZNQCLSA-N -1 0 319.401 3.379 50 0 DGAARM CC(C)(C)C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1cccnc1 ZINC001506417886 1186225026 /nfs/dbraw/zinc/22/50/26/1186225026.db2.gz CFRRTJYMQFZHRW-GFCCVEGCSA-N -1 0 300.362 3.159 50 0 DGAARM C[C@@H]1CCCC[C@]1(CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000686795144 1103057034 /nfs/dbraw/zinc/05/70/34/1103057034.db2.gz XTEXOKZRPCGIAL-CXAGYDPISA-N -1 0 305.374 3.336 50 0 DGAARM C[C@H]1CCCC[C@@]1(CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000686795146 1103057280 /nfs/dbraw/zinc/05/72/80/1103057280.db2.gz XTEXOKZRPCGIAL-GUYCJALGSA-N -1 0 305.374 3.336 50 0 DGAARM Cc1cnccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000079029291 185147610 /nfs/dbraw/zinc/14/76/10/185147610.db2.gz IVYMNFWSBXGRQB-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM O=C([O-])/C=C\c1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000096936612 185393078 /nfs/dbraw/zinc/39/30/78/185393078.db2.gz JNZWPOQHLYYUJI-YWEYNIOJSA-N -1 0 301.367 3.417 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)NCCc1ccsc1)c1cccs1 ZINC000090607329 185306428 /nfs/dbraw/zinc/30/64/28/185306428.db2.gz VFHGYLUMOVCNAC-GFCCVEGCSA-N -1 0 323.439 3.117 50 0 DGAARM O=C([O-])Cc1ccc(OCc2nc(-c3ccsc3)no2)cc1 ZINC000096997204 185395674 /nfs/dbraw/zinc/39/56/74/185395674.db2.gz BJLFWBYYCWWXTG-UHFFFAOYSA-N -1 0 316.338 3.004 50 0 DGAARM Cc1noc2ncc(NC(=O)c3ccc([O-])c(Cl)c3)cc12 ZINC000095406943 185356272 /nfs/dbraw/zinc/35/62/72/185356272.db2.gz FUUYXFNPIBOJOA-UHFFFAOYSA-N -1 0 303.705 3.143 50 0 DGAARM CC(C)c1cc([N-]S(=O)(=O)c2cccc3ncccc32)on1 ZINC000095414579 185358473 /nfs/dbraw/zinc/35/84/73/185358473.db2.gz ANBPIWWRVGUFDM-UHFFFAOYSA-N -1 0 317.370 3.147 50 0 DGAARM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000097018506 185397878 /nfs/dbraw/zinc/39/78/78/185397878.db2.gz NKSGXCIMLYSTAW-LLVKDONJSA-N -1 0 303.383 3.208 50 0 DGAARM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000097018538 185397994 /nfs/dbraw/zinc/39/79/94/185397994.db2.gz MAGAGVDLFNJYPK-LBPRGKRZSA-N -1 0 315.344 3.286 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)Cc2noc3ccccc23)cc1 ZINC000097018969 185398087 /nfs/dbraw/zinc/39/80/87/185398087.db2.gz INHBHPVUKJJSBQ-UHFFFAOYSA-N -1 0 324.336 3.026 50 0 DGAARM C[C@@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000097039221 185401436 /nfs/dbraw/zinc/40/14/36/185401436.db2.gz TWNMYRRANWLSIO-VIFPVBQESA-N -1 0 315.291 3.031 50 0 DGAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3ccno3)o2)c1 ZINC000064958662 432009806 /nfs/dbraw/zinc/00/98/06/432009806.db2.gz CREVHGANOARVNS-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM O=C(Nc1ccccc1OC(F)F)c1s[n-]c(=O)c1Cl ZINC000225798890 201748906 /nfs/dbraw/zinc/74/89/06/201748906.db2.gz YINSJLRLNHLMBN-UHFFFAOYSA-N -1 0 320.704 3.356 50 0 DGAARM CC(C)(CNC(=O)c1s[n-]c(=O)c1Cl)c1cccs1 ZINC000253404152 186307399 /nfs/dbraw/zinc/30/73/99/186307399.db2.gz FTCZNHOSAGAWPS-UHFFFAOYSA-N -1 0 316.835 3.271 50 0 DGAARM O=C(CSC[C@H]1CCCCO1)Nc1cccc(Cl)c1[O-] ZINC000172356413 198084579 /nfs/dbraw/zinc/08/45/79/198084579.db2.gz VKSWVWHWBWQOTM-SNVBAGLBSA-N -1 0 315.822 3.286 50 0 DGAARM Cc1c2ccc(O[C@@H](C)C(=O)[O-])cc2oc(=O)c1CC(C)C ZINC000000069966 180683569 /nfs/dbraw/zinc/68/35/69/180683569.db2.gz SBOVCAKWTFKELI-NSHDSACASA-N -1 0 304.342 3.152 50 0 biogenic DGAARM CSc1sc(C(=O)[O-])c(Cl)c1S(=O)(=O)C(C)C ZINC000000125030 180701251 /nfs/dbraw/zinc/70/12/51/180701251.db2.gz ACBKUBNVJZHSGY-UHFFFAOYSA-N -1 0 314.837 3.004 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000000388725 180775069 /nfs/dbraw/zinc/77/50/69/180775069.db2.gz JUUNPRGYFCIXSM-KRWDZBQOSA-N -1 0 305.374 3.083 50 0 DGAARM Cc1nc([N-]c2ncc3c(n2)C[C@H](C)CC3=O)nc2ccccc12 ZINC000001069062 180845434 /nfs/dbraw/zinc/84/54/34/180845434.db2.gz MEXBRPCWMIAFIB-JTQLQIEISA-N -1 0 319.368 3.237 50 0 DGAARM Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)[O-])o2)n1 ZINC000002236681 180916194 /nfs/dbraw/zinc/91/61/94/180916194.db2.gz NQTKTDJZTAKSLU-UHFFFAOYSA-N -1 0 318.276 3.387 50 0 DGAARM CCCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002292242 180918794 /nfs/dbraw/zinc/91/87/94/180918794.db2.gz HHFZQEVZQYBHAR-HNNXBMFYSA-N -1 0 307.390 3.095 50 0 DGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000003884258 181052306 /nfs/dbraw/zinc/05/23/06/181052306.db2.gz ZPTLOCLQIAZRFR-CYBMUJFWSA-N -1 0 309.362 3.126 50 0 DGAARM Cc1nn2c(nc(C)c(CCC(=O)[O-])c2C)c1-c1ccccc1 ZINC000003882739 181052497 /nfs/dbraw/zinc/05/24/97/181052497.db2.gz MQIIGELLXBQOQF-UHFFFAOYSA-N -1 0 309.369 3.339 50 0 DGAARM COc1cc(NC(=O)CCC2CCCC2)c(C(=O)[O-])cc1OC ZINC000003887810 181052911 /nfs/dbraw/zinc/05/29/11/181052911.db2.gz PWCGNXFMBRRUND-UHFFFAOYSA-N -1 0 321.373 3.311 50 0 DGAARM O=C([O-])CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000004293802 181093566 /nfs/dbraw/zinc/09/35/66/181093566.db2.gz JIXPXNUZJCCKGO-GOSISDBHSA-N -1 0 312.321 3.019 50 0 DGAARM C[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC000004614627 181129925 /nfs/dbraw/zinc/12/99/25/181129925.db2.gz BRLOPWYLXBHZKT-HGPDSQILSA-N -1 0 307.434 3.064 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)cc1 ZINC000004647241 181131559 /nfs/dbraw/zinc/13/15/59/181131559.db2.gz PBGLZGCIGSXJIR-LLVKDONJSA-N -1 0 322.455 3.377 50 0 DGAARM COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)[O-] ZINC000004723301 181142455 /nfs/dbraw/zinc/14/24/55/181142455.db2.gz ZJAYNHWRAPKRGD-UHFFFAOYSA-N -1 0 321.760 3.424 50 0 DGAARM COc1cc(CO)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000004746510 181146703 /nfs/dbraw/zinc/14/67/03/181146703.db2.gz HAXSUFMCKFJONI-UHFFFAOYSA-N -1 0 322.744 3.118 50 0 DGAARM COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)[O-])c2n1 ZINC000004820662 181156596 /nfs/dbraw/zinc/15/65/96/181156596.db2.gz BRHABGSTYLXURQ-UHFFFAOYSA-N -1 0 319.267 3.041 50 0 DGAARM O=C([O-])C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004002003 304042970 /nfs/dbraw/zinc/04/29/70/304042970.db2.gz VYKMQAXIWKQFHS-UHFFFAOYSA-N -1 0 320.698 3.365 50 0 DGAARM O=C([O-])/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000005018652 181191858 /nfs/dbraw/zinc/19/18/58/181191858.db2.gz XGXSCWIUBHXDMH-UVTDQMKNSA-N -1 0 301.729 3.196 50 0 DGAARM CC(C)C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000005254797 181222166 /nfs/dbraw/zinc/22/21/66/181222166.db2.gz HVEBADSBAWLWGN-NSHDSACASA-N -1 0 302.733 3.100 50 0 DGAARM O=C([O-])c1ccc2[nH+]cc(C(=O)[O-])c(Nc3ccccc3)c2c1 ZINC000005510772 181251189 /nfs/dbraw/zinc/25/11/89/181251189.db2.gz KKFXVJKKIUBOKR-UHFFFAOYSA-N -1 0 308.293 3.375 50 0 DGAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccccn2)c1Cl ZINC000005652434 181267864 /nfs/dbraw/zinc/26/78/64/181267864.db2.gz ZYQDOKBQGYUMSL-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCC2 ZINC000237938733 304059278 /nfs/dbraw/zinc/05/92/78/304059278.db2.gz HITFLKHBAXUHTF-ZDUSSCGKSA-N -1 0 321.442 3.486 50 0 DGAARM CC[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000237073299 202143549 /nfs/dbraw/zinc/14/35/49/202143549.db2.gz VGHCCSHWAZWLAU-HOCLYGCPSA-N -1 0 303.402 3.284 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2o1 ZINC000097000223 304059551 /nfs/dbraw/zinc/05/95/51/304059551.db2.gz URELPXJEAMHCLY-ZDUSSCGKSA-N -1 0 301.342 3.292 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2ccccc2o1 ZINC000097000219 304062449 /nfs/dbraw/zinc/06/24/49/304062449.db2.gz URELPXJEAMHCLY-CYBMUJFWSA-N -1 0 301.342 3.292 50 0 DGAARM CC[C@](C)(NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc(C)cs1 ZINC000180017732 199107663 /nfs/dbraw/zinc/10/76/63/199107663.db2.gz STFMPNMBMUJILY-WQGACYEGSA-N -1 0 324.446 3.084 50 0 DGAARM O=C([O-])C[C@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000226750193 304081568 /nfs/dbraw/zinc/08/15/68/304081568.db2.gz IUZSDAQNWBTRBT-SFHVURJKSA-N -1 0 323.392 3.220 50 0 DGAARM O=C([O-])Cc1c(I)ccc2ccccc21 ZINC000098042871 304088076 /nfs/dbraw/zinc/08/80/76/304088076.db2.gz CPXNRZQTLVFIJK-UHFFFAOYSA-N -1 0 312.106 3.072 50 0 DGAARM Cc1cc(F)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237642851 202316245 /nfs/dbraw/zinc/31/62/45/202316245.db2.gz JWIPIZXYPDVVBZ-UHFFFAOYSA-N -1 0 301.317 3.404 50 0 DGAARM Cc1cc(F)c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1F ZINC000237649130 202316607 /nfs/dbraw/zinc/31/66/07/202316607.db2.gz UPSKZGUDIYPYNE-LLVKDONJSA-N -1 0 311.328 3.133 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000237941665 202397735 /nfs/dbraw/zinc/39/77/35/202397735.db2.gz NFKROSTVWWYULL-AWEZNQCLSA-N -1 0 300.358 3.027 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000238001767 202415791 /nfs/dbraw/zinc/41/57/91/202415791.db2.gz AYOWVPOQMXCAHC-CYBMUJFWSA-N -1 0 323.820 3.376 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000006330664 181330368 /nfs/dbraw/zinc/33/03/68/181330368.db2.gz KABYKUULLJDORI-VXGBXAGGSA-N -1 0 324.174 3.055 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000001200935 304107486 /nfs/dbraw/zinc/10/74/86/304107486.db2.gz HCHGYOVZWHVSDY-NXEZZACHSA-N -1 0 304.371 3.126 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017055067 304107547 /nfs/dbraw/zinc/10/75/47/304107547.db2.gz WRINOZNASHQYFE-CQXHKVKOSA-N -1 0 319.445 3.210 50 0 DGAARM CCOC(=O)c1ccc(-n2[n-]c(-c3ccccc3)cc2=O)cc1 ZINC000006492112 181345965 /nfs/dbraw/zinc/34/59/65/181345965.db2.gz NCYMTOGLPPVPKI-UHFFFAOYSA-N -1 0 308.337 3.009 50 0 DGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000006698087 181371684 /nfs/dbraw/zinc/37/16/84/181371684.db2.gz JGJGRBVMTZEYSP-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000006702835 181374353 /nfs/dbraw/zinc/37/43/53/181374353.db2.gz RREGYBRRWQPCDJ-UHFFFAOYSA-N -1 0 309.362 3.198 50 0 DGAARM C[C@H](C(=O)NCCC(=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000006764234 181385585 /nfs/dbraw/zinc/38/55/85/181385585.db2.gz CPBPASUSXLMRIY-LBPRGKRZSA-N -1 0 315.344 3.187 50 0 DGAARM Cc1ncc(-c2c(-c3ccccc3)ncn2C[C@H](C)C(=O)[O-])cn1 ZINC000091657288 193085612 /nfs/dbraw/zinc/08/56/12/193085612.db2.gz XSZMQSLOIANBOP-LBPRGKRZSA-N -1 0 322.368 3.036 50 0 DGAARM Cc1ncc(-c2c(-c3ccccc3)ncn2C[C@@H](C)C(=O)[O-])cn1 ZINC000091657287 193086205 /nfs/dbraw/zinc/08/62/05/193086205.db2.gz XSZMQSLOIANBOP-GFCCVEGCSA-N -1 0 322.368 3.036 50 0 DGAARM Cc1cc(N[C@@H](C)CCn2cccn2)nc(-c2ccccc2[O-])n1 ZINC000091621291 193080495 /nfs/dbraw/zinc/08/04/95/193080495.db2.gz ZURJEEIEIACHDE-ZDUSSCGKSA-N -1 0 323.400 3.245 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000091876664 193121987 /nfs/dbraw/zinc/12/19/87/193121987.db2.gz AYKLZTCHDZDSIU-JKSUJKDBSA-N -1 0 319.376 3.033 50 0 DGAARM CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H](C)Cc1ccsc1 ZINC000262956785 203420283 /nfs/dbraw/zinc/42/02/83/203420283.db2.gz LRGQGYPMNUHLBX-SNVBAGLBSA-N -1 0 307.371 3.133 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2coc3ccccc23)C1 ZINC000095959397 193459199 /nfs/dbraw/zinc/45/91/99/193459199.db2.gz BWEHFYQEITXHGX-LBPRGKRZSA-N -1 0 301.342 3.150 50 0 DGAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC000096479595 193662823 /nfs/dbraw/zinc/66/28/23/193662823.db2.gz HVZAPKVHCZBPTI-HZMBPMFUSA-N -1 0 321.373 3.323 50 0 DGAARM Cc1ccccc1C1=N/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)O1 ZINC000013366940 181846548 /nfs/dbraw/zinc/84/65/48/181846548.db2.gz PWPYVBXSENWHRJ-GDNBJRDFSA-N -1 0 307.305 3.038 50 0 DGAARM COc1ccc(-c2cn3c(CCC(=O)[O-])csc3n2)cc1 ZINC000016954761 182065571 /nfs/dbraw/zinc/06/55/71/182065571.db2.gz OMOMZIIGCIEAFE-UHFFFAOYSA-N -1 0 302.355 3.089 50 0 DGAARM Cc1c2ccccc2oc1[C@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000190202207 432131863 /nfs/dbraw/zinc/13/18/63/432131863.db2.gz UZBKELWNYLKLOZ-NSHDSACASA-N -1 0 303.358 3.419 50 0 DGAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccccc3)cc(C(F)F)c12 ZINC000020349777 182210435 /nfs/dbraw/zinc/21/04/35/182210435.db2.gz NQWQOMKFBIPMFE-UHFFFAOYSA-N -1 0 317.295 3.429 50 0 DGAARM COc1cc(C([O-])=CC(=O)C(F)(F)F)ccc1OC(F)F ZINC000100497148 193800909 /nfs/dbraw/zinc/80/09/09/193800909.db2.gz NJSPMWLCXVLORA-UHFFFAOYSA-N -1 0 312.190 3.001 50 0 DGAARM CC(C)[C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000101489663 193814078 /nfs/dbraw/zinc/81/40/78/193814078.db2.gz OELFLUMRDSZNSF-BRWVUGGUSA-N -1 0 317.429 3.261 50 0 fda DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000040449462 183068116 /nfs/dbraw/zinc/06/81/16/183068116.db2.gz PTSFFRFRABIDJJ-GFCCVEGCSA-N -1 0 305.374 3.499 50 0 DGAARM O=C([O-])CCCCCNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000040267589 183049876 /nfs/dbraw/zinc/04/98/76/183049876.db2.gz AEVHWUZRODWGRH-UHFFFAOYSA-N -1 0 322.792 3.056 50 0 DGAARM CCc1nc2sc3c(c2c(NCCCC(=O)[O-])n1)CCC3 ZINC000041090249 183163761 /nfs/dbraw/zinc/16/37/61/183163761.db2.gz ZTRLORBCNORDOV-UHFFFAOYSA-N -1 0 305.403 3.019 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000043583625 183373244 /nfs/dbraw/zinc/37/32/44/183373244.db2.gz GNPQIOWSEQNFKF-JTQLQIEISA-N -1 0 313.756 3.196 50 0 DGAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000268934674 207099820 /nfs/dbraw/zinc/09/98/20/207099820.db2.gz MMSWVGVBUIPNGT-UWVGGRQHSA-N -1 0 316.184 3.030 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000269205465 207322975 /nfs/dbraw/zinc/32/29/75/207322975.db2.gz TWVQQQXLYZFMHF-SNVBAGLBSA-N -1 0 319.744 3.147 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000066248773 184398945 /nfs/dbraw/zinc/39/89/45/184398945.db2.gz XFLKBWLXCQCFBB-UHFFFAOYSA-N -1 0 305.403 3.107 50 0 DGAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000238053958 304238852 /nfs/dbraw/zinc/23/88/52/304238852.db2.gz XBZVKLBCFBQACP-RYUDHWBXSA-N -1 0 315.291 3.236 50 0 DGAARM CN(C(=O)COc1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC000004648114 400085225 /nfs/dbraw/zinc/08/52/25/400085225.db2.gz QYXAHCFDHSAHFC-UHFFFAOYSA-N -1 0 319.744 3.080 50 0 DGAARM C[C@@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C/c2ccccc2)S1 ZINC000005059066 400086390 /nfs/dbraw/zinc/08/63/90/400086390.db2.gz MQPFPMFLYICOQL-AEEKJCFHSA-N -1 0 306.408 3.434 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000097231340 400283698 /nfs/dbraw/zinc/28/36/98/400283698.db2.gz RDJYOJKWORSUMG-RDBSUJKOSA-N -1 0 315.394 3.102 50 0 DGAARM O=C(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)ccc1[O-] ZINC000072289964 400378733 /nfs/dbraw/zinc/37/87/33/400378733.db2.gz AJVDODGVKHGXDB-UHFFFAOYSA-N -1 0 315.716 3.348 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC000072233731 400375893 /nfs/dbraw/zinc/37/58/93/400375893.db2.gz VYMSTISZOFZGCY-GXTWGEPZSA-N -1 0 323.364 3.078 50 0 DGAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ncoc2C(C)C)cc1 ZINC000076016936 400627001 /nfs/dbraw/zinc/62/70/01/400627001.db2.gz FZBJQOBLCBFHJN-CYBMUJFWSA-N -1 0 316.357 3.052 50 0 DGAARM O=C([O-])c1c(F)c(Br)cc(Br)c1F ZINC000142404631 400629884 /nfs/dbraw/zinc/62/98/84/400629884.db2.gz NPMNNKGHXSMSFJ-UHFFFAOYSA-N -1 0 315.895 3.188 50 0 DGAARM O=C([O-])COc1cccc(C(=O)/C=C/c2cccnc2Cl)c1 ZINC000170621138 400766988 /nfs/dbraw/zinc/76/69/88/400766988.db2.gz WJRBIVRPVISFQE-VOTSOKGWSA-N -1 0 317.728 3.095 50 0 DGAARM Cc1csc([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000137277261 432175663 /nfs/dbraw/zinc/17/56/63/432175663.db2.gz GAPDUZYYTIMGNY-UHFFFAOYSA-N -1 0 306.771 3.045 50 0 DGAARM Cc1nc(C)c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])o1 ZINC000139869485 432184863 /nfs/dbraw/zinc/18/48/63/432184863.db2.gz ZRSRUAZTXOZFHO-UHFFFAOYSA-N -1 0 310.309 3.395 50 0 DGAARM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)sc1C ZINC000131984786 196216315 /nfs/dbraw/zinc/21/63/15/196216315.db2.gz OIMWQBVWBZMKRO-LBPRGKRZSA-N -1 0 301.367 3.194 50 0 DGAARM Cc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1C ZINC000006727078 262535489 /nfs/dbraw/zinc/53/54/89/262535489.db2.gz DHERWNVDUZZBCP-BGHVQYPCSA-N -1 0 301.386 3.379 50 0 DGAARM O=S(=O)(Cc1cccc(F)c1)[N-]c1nc(C2CC2)cs1 ZINC000096462637 426431058 /nfs/dbraw/zinc/43/10/58/426431058.db2.gz MKTALRUCWPXRMX-UHFFFAOYSA-N -1 0 312.391 3.102 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccccc2)(C(=O)[O-])C1 ZINC000012648248 278392148 /nfs/dbraw/zinc/39/21/48/278392148.db2.gz SLWITFDUIZLEJL-SFHVURJKSA-N -1 0 319.401 3.331 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000035571155 278418184 /nfs/dbraw/zinc/41/81/84/278418184.db2.gz NISWNSOUPGGKNK-KGLIPLIRSA-N -1 0 305.374 3.254 50 0 DGAARM CC(C)(CC(=O)N1CCCC[C@H]1CCC(=O)[O-])C(F)(F)F ZINC000263520355 278593944 /nfs/dbraw/zinc/59/39/44/278593944.db2.gz GXEQKBKSVBLRCZ-JTQLQIEISA-N -1 0 309.328 3.211 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)ccc1F ZINC000000081753 431121712 /nfs/dbraw/zinc/12/17/12/431121712.db2.gz IZUZDVOOIARAKZ-UHFFFAOYSA-N -1 0 315.753 3.294 50 0 DGAARM O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)cccc1F ZINC000000094441 431122579 /nfs/dbraw/zinc/12/25/79/431122579.db2.gz XKGHTRBZHJCNNE-UHFFFAOYSA-N -1 0 309.219 3.087 50 0 DGAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000000105368 431124369 /nfs/dbraw/zinc/12/43/69/431124369.db2.gz OPPOISJKHBLNPD-UHFFFAOYSA-N -1 0 323.348 3.142 50 0 DGAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000000156456 431137523 /nfs/dbraw/zinc/13/75/23/431137523.db2.gz KIMLAQONBABUCP-UHFFFAOYSA-N -1 0 307.252 3.239 50 0 DGAARM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1OC ZINC000000156524 431137016 /nfs/dbraw/zinc/13/70/16/431137016.db2.gz LQYOFOVBQFWMQS-UHFFFAOYSA-N -1 0 321.373 3.068 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1 ZINC000000198916 431144714 /nfs/dbraw/zinc/14/47/14/431144714.db2.gz WCLKZMZUEJUWHF-UHFFFAOYSA-N -1 0 317.153 3.400 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000192130 431141188 /nfs/dbraw/zinc/14/11/88/431141188.db2.gz WKHHLRIEEVZRNK-NKWVEPMBSA-N -1 0 313.564 3.082 50 0 DGAARM O=C([O-])c1ccc(Cn2nnc3cc4ccccc4cc32)cc1 ZINC000000386974 431175611 /nfs/dbraw/zinc/17/56/11/431175611.db2.gz CPVINIGXGKJNOS-UHFFFAOYSA-N -1 0 303.321 3.331 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000214478 431148248 /nfs/dbraw/zinc/14/82/48/431148248.db2.gz IXQPDDOTNBLXHS-CVEARBPZSA-N -1 0 318.417 3.362 50 0 DGAARM CC(C)[C@@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000237025 431149391 /nfs/dbraw/zinc/14/93/91/431149391.db2.gz LIMVIAAFVRRCLD-GFCCVEGCSA-N -1 0 305.403 3.091 50 0 DGAARM CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000000249006 431154366 /nfs/dbraw/zinc/15/43/66/431154366.db2.gz ITEAHPSQJUWGMG-UHFFFAOYSA-N -1 0 321.398 3.067 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000000267740 431155678 /nfs/dbraw/zinc/15/56/78/431155678.db2.gz AATXIDMFBQKCFD-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CC[C@@H](Sc1nc2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC000000305747 431160987 /nfs/dbraw/zinc/16/09/87/431160987.db2.gz BEVRXLFNUGYRCN-SECBINFHSA-N -1 0 315.192 3.281 50 0 DGAARM CCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1 ZINC000000621164 431207716 /nfs/dbraw/zinc/20/77/16/431207716.db2.gz YKDLMJOIALAXFZ-UHFFFAOYSA-N -1 0 324.336 3.101 50 0 DGAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccccc3Cl)n2)n1 ZINC000001256802 431218020 /nfs/dbraw/zinc/21/80/20/431218020.db2.gz PQKWRTGLQLSVTI-UHFFFAOYSA-N -1 0 300.753 3.276 50 0 DGAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccc(OC(F)(F)F)cc1 ZINC000001384747 431223828 /nfs/dbraw/zinc/22/38/28/431223828.db2.gz MONIMLSRRIDTAE-UHFFFAOYSA-N -1 0 312.169 3.240 50 0 DGAARM O=C([O-])CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000002085841 431246563 /nfs/dbraw/zinc/24/65/63/431246563.db2.gz UGBDQENSDUSRAF-UHFFFAOYSA-N -1 0 311.381 3.190 50 0 DGAARM CC(C)c1nc2oc3c(nc[nH]c3=O)c2c2c1COC(C)(C)C2 ZINC000002340404 431249584 /nfs/dbraw/zinc/24/95/84/431249584.db2.gz DPJKBXXOGCADBZ-UHFFFAOYSA-N -1 0 313.357 3.039 50 0 DGAARM CN(C(=O)OC(C)(C)C)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002583097 431258959 /nfs/dbraw/zinc/25/89/59/431258959.db2.gz XLQCIKDAEIMMEU-CQSZACIVSA-N -1 0 318.373 3.031 50 0 DGAARM Cc1ccc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)o1 ZINC000070442571 431252676 /nfs/dbraw/zinc/25/26/76/431252676.db2.gz HPFAUOWFFSCCRQ-UHFFFAOYSA-N -1 0 303.343 3.211 50 0 DGAARM COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)[O-] ZINC000002582922 431257302 /nfs/dbraw/zinc/25/73/02/431257302.db2.gz KSVAZTGIFFIBGH-UHFFFAOYSA-N -1 0 301.726 3.394 50 0 DGAARM COCCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000002961701 431279202 /nfs/dbraw/zinc/27/92/02/431279202.db2.gz AIPPMMQBZBMGHH-UHFFFAOYSA-N -1 0 306.412 3.310 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCCCc1ccccc1 ZINC000003096093 431282378 /nfs/dbraw/zinc/28/23/78/431282378.db2.gz IXLNPBARHKASTP-HOTGVXAUSA-N -1 0 303.402 3.017 50 0 DGAARM O=C([O-])CCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071777075 431286863 /nfs/dbraw/zinc/28/68/63/431286863.db2.gz VDYYGCIOYOMVKF-CYBMUJFWSA-N -1 0 318.200 3.232 50 0 DGAARM COc1ccc(CCNc2ccccc2C(=O)[O-])cc1OC ZINC000003208120 431287336 /nfs/dbraw/zinc/28/73/36/431287336.db2.gz UEJAKSXSIWDEEB-UHFFFAOYSA-N -1 0 301.342 3.057 50 0 DGAARM O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1[O-] ZINC000004059947 431297535 /nfs/dbraw/zinc/29/75/35/431297535.db2.gz OZLVXONGBHEQRR-UHFFFAOYSA-N -1 0 306.243 3.320 50 0 DGAARM C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)[O-])c1)c1ccccc1O2 ZINC000004313282 431297918 /nfs/dbraw/zinc/29/79/18/431297918.db2.gz VCKXLTWFHBRJCE-RDTXWAMCSA-N -1 0 324.336 3.154 50 0 DGAARM O=c1oc(-c2ccc(Br)cc2)nc2ccc([O-])cc12 ZINC000004824836 431304632 /nfs/dbraw/zinc/30/46/32/431304632.db2.gz NUOPQQKCDNGBMW-UHFFFAOYSA-N -1 0 318.126 3.323 50 0 DGAARM O=C([O-])[C@H]1CS[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000002740252 431267889 /nfs/dbraw/zinc/26/78/89/431267889.db2.gz ROYDZIKUNGAOQP-ZWNOBZJWSA-N -1 0 309.774 3.388 50 0 DGAARM O=C([O-])CSc1nc(-c2ccccc2)nc2c1SCCC2 ZINC000009306373 431426045 /nfs/dbraw/zinc/42/60/45/431426045.db2.gz JPRKAAVZEVNBAR-UHFFFAOYSA-N -1 0 318.423 3.359 50 0 DGAARM C[C@@](CC(=O)Nc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000008987302 431418729 /nfs/dbraw/zinc/41/87/29/431418729.db2.gz HCHDGPZSGVEZIM-KRWDZBQOSA-N -1 0 319.307 3.336 50 0 DGAARM O=c1c2c(nc3[n-]c(SCc4ccccc4)nn31)CCCC2 ZINC000009088238 431420603 /nfs/dbraw/zinc/42/06/03/431420603.db2.gz JIGSZLCBWNRJMA-UHFFFAOYSA-N -1 0 312.398 3.001 50 0 DGAARM CC(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000008746193 431412104 /nfs/dbraw/zinc/41/21/04/431412104.db2.gz AWFKKAYFXGBSDZ-UHFFFAOYSA-N -1 0 303.358 3.253 50 0 DGAARM C/C(=C/C(=O)[O-])C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000010272009 431456829 /nfs/dbraw/zinc/45/68/29/431456829.db2.gz WBHOOXGFEUZCOH-NTMALXAHSA-N -1 0 316.382 3.396 50 0 DGAARM CC[C@@H](C)Cn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000009481860 431436346 /nfs/dbraw/zinc/43/63/46/431436346.db2.gz NWQQIAUMXVTPBN-SECBINFHSA-N -1 0 308.403 3.122 50 0 DGAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000012560532 431516758 /nfs/dbraw/zinc/51/67/58/431516758.db2.gz XYDLJOXFCNIRAS-UHFFFAOYSA-N -1 0 320.414 3.405 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000012648863 431521699 /nfs/dbraw/zinc/52/16/99/431521699.db2.gz NVMKZXKHKQKKFE-JTQLQIEISA-N -1 0 319.279 3.356 50 0 DGAARM Cc1nc2cc(NC(=O)C[C@](C)(C(=O)[O-])C(C)C)ccc2o1 ZINC000012786730 431529619 /nfs/dbraw/zinc/52/96/19/431529619.db2.gz LVRWOGFVKXXALZ-INIZCTEOSA-N -1 0 304.346 3.212 50 0 DGAARM Cc1cccc(-c2noc(-c3c([O-])c4ccccc4[nH]c3=O)n2)c1 ZINC000075536596 431483311 /nfs/dbraw/zinc/48/33/11/431483311.db2.gz KJSPFZXIDQOXSL-UHFFFAOYSA-N -1 0 319.320 3.259 50 0 DGAARM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)/C=C/c1ccccc1 ZINC000013464547 431557213 /nfs/dbraw/zinc/55/72/13/431557213.db2.gz IUHSJXHOSLQUNO-ZHACJKMWSA-N -1 0 317.366 3.106 50 0 DGAARM CCO[N-]C(=O)Cn1c(-c2ccc(C)cc2)csc1=S ZINC000012923389 431536495 /nfs/dbraw/zinc/53/64/95/431536495.db2.gz LKOOIMVYLHCAGY-UHFFFAOYSA-N -1 0 308.428 3.322 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1C ZINC000013320350 431551988 /nfs/dbraw/zinc/55/19/88/431551988.db2.gz MJSKIYANFCWTMW-BPUTZDHNSA-N -1 0 301.386 3.148 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2s1 ZINC000013249541 431552358 /nfs/dbraw/zinc/55/23/58/431552358.db2.gz WYPPNVQEWMDKRP-RYUDHWBXSA-N -1 0 316.382 3.210 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000078978686 280188868 /nfs/dbraw/zinc/18/88/68/280188868.db2.gz YZOREQKSYMNSFX-GFCCVEGCSA-N -1 0 305.765 3.136 50 0 DGAARM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1 ZINC000014223721 431584344 /nfs/dbraw/zinc/58/43/44/431584344.db2.gz FOFCKADLUAHMCL-UHFFFAOYSA-N -1 0 313.325 3.083 50 0 DGAARM Cc1ccsc1CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000028901164 431711712 /nfs/dbraw/zinc/71/17/12/431711712.db2.gz UAYQVAJPZLALRJ-QGZVFWFLSA-N -1 0 317.410 3.105 50 0 DGAARM O=C([O-])Cc1ccc(NC(=O)N2CCCc3ccccc32)cc1 ZINC000032918804 431802360 /nfs/dbraw/zinc/80/23/60/431802360.db2.gz LGAASPRLQSLXJW-UHFFFAOYSA-N -1 0 310.353 3.298 50 0 DGAARM O=C([O-])c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 ZINC000032104433 431772314 /nfs/dbraw/zinc/77/23/14/431772314.db2.gz ZYSHLIUHCYQCIP-UHFFFAOYSA-N -1 0 302.204 3.455 50 0 DGAARM O=C([O-])CCc1cc2c(cc1O)oc(=O)cc2-c1ccccc1 ZINC000032634049 431785493 /nfs/dbraw/zinc/78/54/93/431785493.db2.gz ANHFSWPHLAPWBN-UHFFFAOYSA-N -1 0 310.305 3.183 50 0 biogenic,in-vitro DGAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C)cc1 ZINC000036736260 431841037 /nfs/dbraw/zinc/84/10/37/431841037.db2.gz XHXYDKJDAKKDMD-SNVBAGLBSA-N -1 0 307.419 3.341 50 0 DGAARM O=C([O-])CSc1nc2ccccc2nc1N1CCCCCC1 ZINC000037408022 431846612 /nfs/dbraw/zinc/84/66/12/431846612.db2.gz BASCJVLIXXTWOK-UHFFFAOYSA-N -1 0 317.414 3.187 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000044253184 431871777 /nfs/dbraw/zinc/87/17/77/431871777.db2.gz MRWCRHGFLKSBMC-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM Cc1ccc(C[C@@H](CC(=O)NC2CCCCC2)C(=O)[O-])cc1 ZINC000035141876 431826822 /nfs/dbraw/zinc/82/68/22/431826822.db2.gz UJRVYOJSKPTIKX-HNNXBMFYSA-N -1 0 303.402 3.077 50 0 DGAARM O=C([O-])CCCCCNC(=O)Cn1ccc2c1cccc2Cl ZINC000036358190 431838656 /nfs/dbraw/zinc/83/86/56/431838656.db2.gz NLTOJFMVAXQZLF-UHFFFAOYSA-N -1 0 322.792 3.056 50 0 DGAARM Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095382751 431924019 /nfs/dbraw/zinc/92/40/19/431924019.db2.gz QKNHMZQTCSZFEA-QGZVFWFLSA-N -1 0 324.380 3.108 50 0 DGAARM COc1ccc(-c2c(C(=O)[O-])cc(OC)c(OC)c2OC)cc1 ZINC000045068488 431881633 /nfs/dbraw/zinc/88/16/33/431881633.db2.gz DYHCBPLBVXXLCZ-UHFFFAOYSA-N -1 0 318.325 3.086 50 0 DGAARM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091019272 431899446 /nfs/dbraw/zinc/89/94/46/431899446.db2.gz CBMFZZYGNFLGKM-UHFFFAOYSA-N -1 0 324.402 3.133 50 0 DGAARM CC[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000047103244 431906066 /nfs/dbraw/zinc/90/60/66/431906066.db2.gz AZIURTJSAYCDOE-JTQLQIEISA-N -1 0 317.414 3.260 50 0 DGAARM Cc1[nH]c2c(cccc2C(=O)NCCCCCC(=O)[O-])c1C ZINC000095956895 431928014 /nfs/dbraw/zinc/92/80/14/431928014.db2.gz FSPUDLKDDQOWMT-UHFFFAOYSA-N -1 0 302.374 3.160 50 0 DGAARM Cc1ccc(F)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000095958232 431928066 /nfs/dbraw/zinc/92/80/66/431928066.db2.gz CKAOUNFSNHNWBM-OAHLLOKOSA-N -1 0 301.317 3.080 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000095959430 431928420 /nfs/dbraw/zinc/92/84/20/431928420.db2.gz PGCVGOSQMWNAHM-QGZVFWFLSA-N -1 0 320.348 3.181 50 0 DGAARM Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000095970426 431929978 /nfs/dbraw/zinc/92/99/78/431929978.db2.gz LKTKXEWWOYFXKZ-KBPBESRZSA-N -1 0 315.394 3.175 50 0 DGAARM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(C)s1 ZINC000096479820 431953227 /nfs/dbraw/zinc/95/32/27/431953227.db2.gz GOKTZAFKXZIKNI-LBPRGKRZSA-N -1 0 304.371 3.031 50 0 DGAARM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000097036169 431957158 /nfs/dbraw/zinc/95/71/58/431957158.db2.gz JNJHHWGXGCDUMS-VIFPVBQESA-N -1 0 305.280 3.405 50 0 DGAARM O=C([O-])c1cncnc1/C=C\c1ccccc1Br ZINC000097161569 431963049 /nfs/dbraw/zinc/96/30/49/431963049.db2.gz NVUFBAHBQFRHFC-WAYWQWQTSA-N -1 0 305.131 3.108 50 0 DGAARM CCCCc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000100525477 431982170 /nfs/dbraw/zinc/98/21/70/431982170.db2.gz JHJJOYHHWIGMHQ-UHFFFAOYSA-N -1 0 307.373 3.050 50 0 in-man DGAARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055649158 431984684 /nfs/dbraw/zinc/98/46/84/431984684.db2.gz DPUNIZYPKQIGPA-UHFFFAOYSA-N -1 0 311.382 3.021 50 0 DGAARM Cc1oc2c(ccc([O-])c2CO)c(=O)c1-c1ccc(F)cc1 ZINC000057312206 431990972 /nfs/dbraw/zinc/99/09/72/431990972.db2.gz GLXVVISQSKIKJX-UHFFFAOYSA-N -1 0 300.285 3.105 50 0 DGAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000057724326 431993230 /nfs/dbraw/zinc/99/32/30/431993230.db2.gz KHZUCZXWHGPICM-UHFFFAOYSA-N -1 0 304.396 3.406 50 0 DGAARM Cc1cc([C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)on1 ZINC000253537031 432399014 /nfs/dbraw/zinc/39/90/14/432399014.db2.gz UPVQULPXJAUIFX-LLVKDONJSA-N -1 0 316.386 3.030 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263478396 432548710 /nfs/dbraw/zinc/54/87/10/432548710.db2.gz KCDGIACSZIJZSF-NSHDSACASA-N -1 0 316.382 3.354 50 0 DGAARM O=C([O-])/C=C/c1ccc(Br)c(Br)c1F ZINC000263623369 432561087 /nfs/dbraw/zinc/56/10/87/432561087.db2.gz GVIQUTOCKQODGJ-DUXPYHPUSA-N -1 0 323.943 3.449 50 0 DGAARM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000263048166 432515590 /nfs/dbraw/zinc/51/55/90/432515590.db2.gz WFMKLFLHSXEUEU-NSHDSACASA-N -1 0 313.353 3.369 50 0 DGAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc2sccc2c1 ZINC000263300359 432532491 /nfs/dbraw/zinc/53/24/91/432532491.db2.gz DCYJMUKHTFZWLV-IPYPFGDCSA-N -1 0 315.394 3.227 50 0 DGAARM COc1ccc(-c2ccc(CC(=O)[O-])cn2)c2ccc(C)nc12 ZINC000215269680 432642635 /nfs/dbraw/zinc/64/26/35/432642635.db2.gz MSUJFKXPVUOLMO-UHFFFAOYSA-N -1 0 308.337 3.241 50 0 DGAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1F ZINC000220030898 432665614 /nfs/dbraw/zinc/66/56/14/432665614.db2.gz GDXUGPLCGRWFHL-SNVBAGLBSA-N -1 0 301.745 3.242 50 0 DGAARM CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000236641477 432753058 /nfs/dbraw/zinc/75/30/58/432753058.db2.gz PBWSVXXUWWARDP-OAHLLOKOSA-N -1 0 323.820 3.403 50 0 DGAARM CC[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236954003 432772331 /nfs/dbraw/zinc/77/23/31/432772331.db2.gz VGHCCSHWAZWLAU-GOEBONIOSA-N -1 0 303.402 3.284 50 0 DGAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000237477684 432788740 /nfs/dbraw/zinc/78/87/40/432788740.db2.gz NFWZDIWAFGGBRB-OCCSQVGLSA-N -1 0 313.353 3.244 50 0 DGAARM CCC[C@H](NC(=O)c1ccc(O)cc1F)[C@H](O)c1ccccc1 ZINC000280528615 433073569 /nfs/dbraw/zinc/07/35/69/433073569.db2.gz JMECBDMPZYXBBA-DLBZAZTESA-N -1 0 317.360 3.163 50 0 DGAARM O=C([O-])c1ncoc1-c1ccccc1C(=O)Nc1ccccc1 ZINC000407947247 434528988 /nfs/dbraw/zinc/52/89/88/434528988.db2.gz YMSPGNUGGGCWFT-UHFFFAOYSA-N -1 0 308.293 3.292 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccsc1)c1ccc(F)cc1 ZINC000492136186 434921309 /nfs/dbraw/zinc/92/13/09/434921309.db2.gz NDDNNYUNQDYROK-DHEJZYIKSA-N -1 0 319.357 3.233 50 0 DGAARM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])o1 ZINC000262797165 300542066 /nfs/dbraw/zinc/54/20/66/300542066.db2.gz NTRWTZMPNHMIIV-UWVGGRQHSA-N -1 0 317.316 3.265 50 0 DGAARM C[C@H](CN(C(=O)c1ccc(C(F)F)cc1F)C1CC1)C(=O)[O-] ZINC000656239002 435922173 /nfs/dbraw/zinc/92/21/73/435922173.db2.gz UCVXQHJAYURPMO-MRVPVSSYSA-N -1 0 315.291 3.089 50 0 DGAARM O=C([O-])c1cccc(-c2cc(F)ccc2OC[C@H]2CCOC2)n1 ZINC000657204235 436091507 /nfs/dbraw/zinc/09/15/07/436091507.db2.gz GNXHCNQTKUNCSR-NSHDSACASA-N -1 0 317.316 3.001 50 0 DGAARM Cc1cc(C)nc(-n2[n-]c(-c3cccc4ccccc43)cc2=O)n1 ZINC000017058967 301260781 /nfs/dbraw/zinc/26/07/81/301260781.db2.gz DGNZMCAMKDKWEO-UHFFFAOYSA-N -1 0 316.364 3.393 50 0 DGAARM Cc1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237676120 301573376 /nfs/dbraw/zinc/57/33/76/301573376.db2.gz YIOWCIWUPZABCB-MRXNPFEDSA-N -1 0 303.402 3.174 50 0 DGAARM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)nc1 ZINC000659121789 436463409 /nfs/dbraw/zinc/46/34/09/436463409.db2.gz STIUGFSEOFYXAG-CYBMUJFWSA-N -1 0 318.398 3.212 50 0 DGAARM O=C([O-])Cc1cccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000659138583 436466253 /nfs/dbraw/zinc/46/62/53/436466253.db2.gz YYFQEGLWCSHJNE-BBRMVZONSA-N -1 0 323.339 3.468 50 0 DGAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097228694 323210297 /nfs/dbraw/zinc/21/02/97/323210297.db2.gz BEJRTSVYAFTALM-YVEFUNNKSA-N -1 0 322.364 3.360 50 0 DGAARM CC(=O)c1cnc([N-]c2nc(C)c3cccc(C)c3n2)nc1C ZINC000000539791 331463636 /nfs/dbraw/zinc/46/36/36/331463636.db2.gz JVVGXYMJEAALFL-UHFFFAOYSA-N -1 0 307.357 3.291 50 0 DGAARM COc1ccccc1OP(=O)([O-])Oc1ccccc1OC ZINC000002981328 500864431 /nfs/dbraw/zinc/86/44/31/500864431.db2.gz IJCKWMVFLIINHQ-UHFFFAOYSA-N -1 0 310.242 3.262 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC000178296907 534537593 /nfs/dbraw/zinc/53/75/93/534537593.db2.gz FNFRERVFEJNDOG-NSHDSACASA-N -1 0 319.719 3.308 50 0 DGAARM CCN(CC)c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000299767505 528294896 /nfs/dbraw/zinc/29/48/96/528294896.db2.gz HGDPHSKBPRCFEZ-MRXNPFEDSA-N -1 0 318.417 3.002 50 0 DGAARM CCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C ZINC000230514569 546273610 /nfs/dbraw/zinc/27/36/10/546273610.db2.gz PRKZEMGXOZVZOH-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM CCc1ncsc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263115638 546341332 /nfs/dbraw/zinc/34/13/32/546341332.db2.gz WFFMWRRTGDFLLJ-UHFFFAOYSA-N -1 0 319.386 3.367 50 0 DGAARM O=C([O-])c1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000263524821 546341877 /nfs/dbraw/zinc/34/18/77/546341877.db2.gz JHDDFQNCHLJJFU-UHFFFAOYSA-N -1 0 307.349 3.072 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000317487760 546460794 /nfs/dbraw/zinc/46/07/94/546460794.db2.gz DKYZEUFZZAFGAN-WOPDTQHZSA-N -1 0 321.339 3.211 50 0 DGAARM O=C([O-])Cc1cccc(NC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000668278550 547435009 /nfs/dbraw/zinc/43/50/09/547435009.db2.gz HXQQESHTPMXRHR-UHFFFAOYSA-N -1 0 309.365 3.372 50 0 DGAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000170043834 563902874 /nfs/dbraw/zinc/90/28/74/563902874.db2.gz AACKMQZTNGJCKZ-GXFFZTMASA-N -1 0 321.373 3.323 50 0 DGAARM Cc1nn(C)c(C)c1/C=C\c1cc(C(=O)[O-])c2ccccc2n1 ZINC000035684454 655695868 /nfs/dbraw/zinc/69/58/68/655695868.db2.gz WSDYDSSDZGTASG-HJWRWDBZSA-N -1 0 307.353 3.454 50 0 DGAARM CC(C)(C)OC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC000725375215 656533950 /nfs/dbraw/zinc/53/39/50/656533950.db2.gz JBNCYRMKWGDZQA-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 ZINC000071422434 685058204 /nfs/dbraw/zinc/05/82/04/685058204.db2.gz PUWABSGRWIICDI-LJQANCHMSA-N -1 0 315.413 3.031 50 0 DGAARM Cn1ncc(C2CCC2)c1/C=C/c1ncc(/C=C/C(=O)[O-])s1 ZINC000585091697 1094993894 /nfs/dbraw/zinc/99/38/94/1094993894.db2.gz XUHYRTWARFOWIF-ZCOYIIAOSA-N -1 0 315.398 3.412 50 0 DGAARM Cc1cc(CNC(=O)C[C@@H](CC(=O)[O-])c2cccs2)c(C)o1 ZINC000090607358 185306344 /nfs/dbraw/zinc/30/63/44/185306344.db2.gz WUSZOOMPIHNMQD-LBPRGKRZSA-N -1 0 321.398 3.223 50 0 DGAARM O=C([O-])C[C@H](CC(=O)NCc1ccsc1)c1cccs1 ZINC000090607326 185306441 /nfs/dbraw/zinc/30/64/41/185306441.db2.gz NZPKWYVFNYZTRY-NSHDSACASA-N -1 0 309.412 3.074 50 0 DGAARM CC(C)[C@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1 ZINC000090635811 185307699 /nfs/dbraw/zinc/30/76/99/185307699.db2.gz ROKHTTSAFVQJAT-KRWDZBQOSA-N -1 0 305.374 3.146 50 0 DGAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccccn2)cc1Cl ZINC000095389176 185351316 /nfs/dbraw/zinc/35/13/16/185351316.db2.gz DLLQOYZLAQJQSZ-HNNXBMFYSA-N -1 0 320.776 3.001 50 0 DGAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000097018287 185397713 /nfs/dbraw/zinc/39/77/13/185397713.db2.gz QDAHNAWFDDRWQF-NHYWBVRUSA-N -1 0 301.317 3.018 50 0 DGAARM CCn1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cn1 ZINC000097018472 185397800 /nfs/dbraw/zinc/39/78/00/185397800.db2.gz HTSQDVKMRBWDJE-UHFFFAOYSA-N -1 0 315.354 3.068 50 0 DGAARM Cc1ccsc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000097018276 185397856 /nfs/dbraw/zinc/39/78/56/185397856.db2.gz HIUGRFSOYAYGNS-YPMHNXCESA-N -1 0 303.383 3.248 50 0 DGAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000097045167 185402180 /nfs/dbraw/zinc/40/21/80/185402180.db2.gz KKNQIDJRXCHYFW-ZDUSSCGKSA-N -1 0 309.431 3.030 50 0 DGAARM Cc1cc(=O)oc2c(C)c(OCc3ccc(C(=O)[O-])o3)ccc12 ZINC000032123765 190657448 /nfs/dbraw/zinc/65/74/48/190657448.db2.gz KNOYJILMBCRUIL-UHFFFAOYSA-N -1 0 314.293 3.280 50 0 biogenic DGAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000072157647 191061541 /nfs/dbraw/zinc/06/15/41/191061541.db2.gz WIZVOGKSUUQNJP-OAHLLOKOSA-N -1 0 324.380 3.481 50 0 DGAARM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1F ZINC000237451851 186291264 /nfs/dbraw/zinc/29/12/64/186291264.db2.gz MHPAFERZBDXATF-OLZOCXBDSA-N -1 0 307.365 3.175 50 0 DGAARM Cc1cccc([C@@H](C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237454392 186291887 /nfs/dbraw/zinc/29/18/87/186291887.db2.gz RRZVGTHEQADICR-HUUCEWRRSA-N -1 0 303.402 3.202 50 0 DGAARM COc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000000030974 180672068 /nfs/dbraw/zinc/67/20/68/180672068.db2.gz WNSZWEWTCZYWFU-UHFFFAOYSA-N -1 0 320.395 3.106 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000192143 180721227 /nfs/dbraw/zinc/72/12/27/180721227.db2.gz WKHHLRIEEVZRNK-RQJHMYQMSA-N -1 0 313.564 3.082 50 0 DGAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000000269390 180743933 /nfs/dbraw/zinc/74/39/33/180743933.db2.gz KZXXDAVPTMRHCO-UHFFFAOYSA-N -1 0 301.342 3.457 50 0 DGAARM O=C([O-])CCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000259887 180740438 /nfs/dbraw/zinc/74/04/38/180740438.db2.gz XXBIWPWZSNCBJM-UHFFFAOYSA-N -1 0 323.352 3.423 50 0 DGAARM O=C([C@H]1CCOc2ccccc21)N1CCCc2cccc(O)c21 ZINC000107225321 432029101 /nfs/dbraw/zinc/02/91/01/432029101.db2.gz WMGDDNGAEPCFRT-HNNXBMFYSA-N -1 0 309.365 3.238 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C ZINC000003295869 181001648 /nfs/dbraw/zinc/00/16/48/181001648.db2.gz ZVCBZSCNHKVNIW-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=S(=O)([N-]c1cc(F)ccc1F)c1c(F)cccc1F ZINC000003532650 181030817 /nfs/dbraw/zinc/03/08/17/181030817.db2.gz HOEBYMHPBGXUNK-UHFFFAOYSA-N -1 0 305.252 3.044 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)N1CCc2ccccc21 ZINC000003887039 181053054 /nfs/dbraw/zinc/05/30/54/181053054.db2.gz LEBUKXMEKYOCML-UHFFFAOYSA-N -1 0 313.378 3.066 50 0 DGAARM O=C([O-])C[C@@H](c1ccc(F)cc1F)N1Cc2ccccc2C1=O ZINC000004051294 181066782 /nfs/dbraw/zinc/06/67/82/181066782.db2.gz XZQQAOJZOYGXFF-HNNXBMFYSA-N -1 0 317.291 3.137 50 0 DGAARM Cc1nc2sccn2c1-c1csc([N-]c2ncccn2)n1 ZINC000003998369 181060799 /nfs/dbraw/zinc/06/07/99/181060799.db2.gz UAQKJANOLYROTA-UHFFFAOYSA-N -1 0 314.399 3.361 50 0 DGAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)Nc1ccccc1Cl ZINC000004593156 181128044 /nfs/dbraw/zinc/12/80/44/181128044.db2.gz GBUSAVOZDIVSAA-CQSZACIVSA-N -1 0 303.745 3.478 50 0 DGAARM CCOC(=O)c1ccc2[nH]c(=O)c(Cc3ccccc3)c([O-])c2c1 ZINC000004632242 181130657 /nfs/dbraw/zinc/13/06/57/181130657.db2.gz CCJNYIQCWWBZTE-UHFFFAOYSA-N -1 0 323.348 3.001 50 0 biogenic,in-vitro DGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1 ZINC000004689395 181137053 /nfs/dbraw/zinc/13/70/53/181137053.db2.gz PZUINVKINWOSBA-OAHLLOKOSA-N -1 0 314.341 3.033 50 0 DGAARM O=C([O-])/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000004712377 181141261 /nfs/dbraw/zinc/14/12/61/181141261.db2.gz HVTVLGUFWNSGTG-YBEGLDIGSA-N -1 0 306.321 3.023 50 0 biogenic DGAARM CC(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000004827477 181158199 /nfs/dbraw/zinc/15/81/99/181158199.db2.gz HOYYHLVRWZPCNX-JTQLQIEISA-N -1 0 305.161 3.224 50 0 DGAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C ZINC000004913590 181172214 /nfs/dbraw/zinc/17/22/14/181172214.db2.gz YKFKYAXWLVYREY-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C)n2)c(C)c1C ZINC000004970560 181181665 /nfs/dbraw/zinc/18/16/65/181181665.db2.gz XNOITHNVIDUTAG-UHFFFAOYSA-N -1 0 320.414 3.125 50 0 DGAARM CC[C@@H](C)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450810 181244518 /nfs/dbraw/zinc/24/45/18/181244518.db2.gz CRIBHMPKLWFZLL-PXAZEXFGSA-N -1 0 316.401 3.106 50 0 DGAARM O=C([O-])CCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000237976005 304051096 /nfs/dbraw/zinc/05/10/96/304051096.db2.gz KWHPTTYHMFAYIC-UWVGGRQHSA-N -1 0 316.184 3.078 50 0 DGAARM CN(Cc1ccccc1-c1ccccc1)C(=O)C1(C(=O)[O-])CC1 ZINC000165032377 432053576 /nfs/dbraw/zinc/05/35/76/432053576.db2.gz LRWRUQZSVJAQLU-UHFFFAOYSA-N -1 0 309.365 3.177 50 0 DGAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccccc1 ZINC000005729549 181277558 /nfs/dbraw/zinc/27/75/58/181277558.db2.gz OEXRKGBPZABNQE-UHFFFAOYSA-N -1 0 317.288 3.386 50 0 DGAARM COC(=O)c1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1 ZINC000005729732 181277976 /nfs/dbraw/zinc/27/79/76/181277976.db2.gz AOEGZILUCAJRCF-UHFFFAOYSA-N -1 0 312.277 3.078 50 0 biogenic DGAARM CC[C@H](C)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)on1 ZINC000236910447 202067172 /nfs/dbraw/zinc/06/71/72/202067172.db2.gz POWRSBHWLJMRTH-IMIFBBOLSA-N -1 0 320.389 3.046 50 0 DGAARM Cc1cc(Nc2ccccc2C(=O)[O-])nc(NCC(C)C)n1 ZINC000170621826 432074348 /nfs/dbraw/zinc/07/43/48/432074348.db2.gz DTCXYKKFYDIYCG-UHFFFAOYSA-N -1 0 300.362 3.295 50 0 DGAARM C[C@@H](NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C)c1ccccc1 ZINC000170625812 432074978 /nfs/dbraw/zinc/07/49/78/432074978.db2.gz DJKAHODAMHQADM-UVBSCNOISA-N -1 0 303.402 3.391 50 0 DGAARM O=C([O-])C[C@H]1CCCCN1C(=O)CCSCc1ccccc1 ZINC000299784948 304082583 /nfs/dbraw/zinc/08/25/83/304082583.db2.gz LHIQFHAQFMGTQF-OAHLLOKOSA-N -1 0 321.442 3.166 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000237978292 202411446 /nfs/dbraw/zinc/41/14/46/202411446.db2.gz LRPLPCLMQIVXBZ-GFCCVEGCSA-N -1 0 303.289 3.094 50 0 DGAARM CCCc1cc(=O)[nH]c(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000006380043 181335831 /nfs/dbraw/zinc/33/58/31/181335831.db2.gz BBPVBBRAZXUBHR-ZDUSSCGKSA-N -1 0 304.371 3.053 50 0 DGAARM O=S(=O)([N-]c1ccon1)c1ccc(Oc2ccccc2)cc1 ZINC000006697846 181371503 /nfs/dbraw/zinc/37/15/03/181371503.db2.gz TVAXUNIJSVZRNY-UHFFFAOYSA-N -1 0 316.338 3.268 50 0 DGAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000006706815 181374988 /nfs/dbraw/zinc/37/49/88/181374988.db2.gz ZVJKSKPDFHZCOG-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000006741145 181380468 /nfs/dbraw/zinc/38/04/68/181380468.db2.gz SKTDAYOABRBUAT-SJORKVTESA-N -1 0 313.397 3.019 50 0 DGAARM CCn1ccnc1-c1c(-c2ccccc2)ncn1[C@@H](C)CC(=O)[O-] ZINC000091846509 193117270 /nfs/dbraw/zinc/11/72/70/193117270.db2.gz IABHVLJMBJAPBV-ZDUSSCGKSA-N -1 0 324.384 3.469 50 0 DGAARM O=C([O-])/C=C/c1ccc(F)c(Br)c1Br ZINC000263624030 203488408 /nfs/dbraw/zinc/48/84/08/203488408.db2.gz MUPQXOMCQHIADM-DUXPYHPUSA-N -1 0 323.943 3.449 50 0 DGAARM C[C@H](Oc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1)C(=O)[O-] ZINC000096248560 193599389 /nfs/dbraw/zinc/59/93/89/193599389.db2.gz DBWFWCINTQLYLI-JSJZCHLLSA-N -1 0 312.321 3.140 50 0 DGAARM CCOC(=O)c1c(C)nc([N-]c2nc3ccccc3o2)nc1C ZINC000009090131 181600883 /nfs/dbraw/zinc/60/08/83/181600883.db2.gz RWXRICHMJWCYDC-UHFFFAOYSA-N -1 0 312.329 3.155 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000012648878 181785661 /nfs/dbraw/zinc/78/56/61/181785661.db2.gz RAIYJIQGEQQZLD-JTQLQIEISA-N -1 0 319.279 3.356 50 0 DGAARM CC(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000013255828 181839663 /nfs/dbraw/zinc/83/96/63/181839663.db2.gz NMZLQOSHMZZYSX-UHFFFAOYSA-N -1 0 318.373 3.009 50 0 DGAARM CC(C)(C)c1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])no1 ZINC000017055310 182072903 /nfs/dbraw/zinc/07/29/03/182072903.db2.gz OVTSMGWRJLRZKQ-TWZWYRAHSA-N -1 0 320.389 3.048 50 0 DGAARM COc1ccccc1-c1n[n-]c(=NC(=O)OCC(C)C)s1 ZINC000017206259 182079984 /nfs/dbraw/zinc/07/99/84/182079984.db2.gz WASXKSDNVWDTOJ-UHFFFAOYSA-N -1 0 307.375 3.418 50 0 DGAARM Cc1nc(CCC(=O)[O-])oc1-c1ccc(Br)cc1 ZINC000019387293 182120616 /nfs/dbraw/zinc/12/06/16/182120616.db2.gz WEBXMUPUHCYZLU-UHFFFAOYSA-N -1 0 310.147 3.430 50 0 DGAARM COc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000025204962 182404201 /nfs/dbraw/zinc/40/42/01/182404201.db2.gz BZPZWPYNXYNBTO-OAHLLOKOSA-N -1 0 317.316 3.031 50 0 DGAARM O=C([O-])Cc1csc(Cc2ccccc2Br)n1 ZINC000040447939 183068131 /nfs/dbraw/zinc/06/81/31/183068131.db2.gz AAITWCULMSKIBS-UHFFFAOYSA-N -1 0 312.188 3.124 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000041091248 183163983 /nfs/dbraw/zinc/16/39/83/183163983.db2.gz BWYZBAUIHXYBLU-UHFFFAOYSA-N -1 0 309.362 3.334 50 0 DGAARM Cn1c(=O)c(C(=O)c2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000104672357 194023881 /nfs/dbraw/zinc/02/38/81/194023881.db2.gz CTZXWOOERFKCHS-UHFFFAOYSA-N -1 0 313.740 3.129 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(F)cc2)cc1C ZINC000058439664 184118351 /nfs/dbraw/zinc/11/83/51/184118351.db2.gz QJRBVYUHMFJXPY-UHFFFAOYSA-N -1 0 306.358 3.099 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000062913821 184259646 /nfs/dbraw/zinc/25/96/46/184259646.db2.gz KONYGFNCLVSTIK-ZDUSSCGKSA-N -1 0 320.147 3.069 50 0 DGAARM CN(CC1CCCC1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000064089336 184292244 /nfs/dbraw/zinc/29/22/44/184292244.db2.gz ZWHDDMAFCUAQNO-UHFFFAOYSA-N -1 0 317.414 3.260 50 0 DGAARM CCc1ccccc1NC(=O)c1c([O-])c2sccc2[nH]c1=O ZINC000065215226 184314795 /nfs/dbraw/zinc/31/47/95/184314795.db2.gz DTFCYOVEYQHXCQ-UHFFFAOYSA-N -1 0 314.366 3.110 50 0 DGAARM O=C(Nc1ccccc1Cl)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215189 184314855 /nfs/dbraw/zinc/31/48/55/184314855.db2.gz IOXUPIGYUNCBPS-UHFFFAOYSA-N -1 0 320.757 3.201 50 0 DGAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000238052470 304237242 /nfs/dbraw/zinc/23/72/42/304237242.db2.gz XBZVKLBCFBQACP-VXGBXAGGSA-N -1 0 315.291 3.236 50 0 DGAARM COc1ccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc1O ZINC000345655857 254384166 /nfs/dbraw/zinc/38/41/66/254384166.db2.gz WFVORCJDAHUXAJ-ALCCZGGFSA-N -1 0 314.341 3.183 50 0 DGAARM CCCCCNc1nc(N)nc(-c2cc(Cl)ccc2[O-])n1 ZINC000003106367 400082620 /nfs/dbraw/zinc/08/26/20/400082620.db2.gz VNYMWEAEWUSSBJ-UHFFFAOYSA-N -1 0 307.785 3.082 50 0 DGAARM C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000314707690 400140424 /nfs/dbraw/zinc/14/04/24/400140424.db2.gz NJMCWSWJPBESRN-ZMLRMANQSA-N -1 0 311.328 3.033 50 0 DGAARM O=S(=O)([N-]c1ccncc1)c1ccc(Cl)c2ncccc12 ZINC000072274875 400376737 /nfs/dbraw/zinc/37/67/37/400376737.db2.gz QDDUCTWJROVMSH-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM O=C([O-])[C@H]1CC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 ZINC000040449016 400400268 /nfs/dbraw/zinc/40/02/68/400400268.db2.gz YLQAJFCYCQEOCJ-DOTOQJQBSA-N -1 0 301.386 3.241 50 0 DGAARM C[C@H](CC(=O)[O-])N(C(N)=O)c1ccc(Nc2ccccc2)cc1 ZINC000075252965 400566974 /nfs/dbraw/zinc/56/69/74/400566974.db2.gz DAKULKGIWDQQTO-GFCCVEGCSA-N -1 0 313.357 3.179 50 0 DGAARM O=C([O-])C[C@H](NC(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000145955812 400646973 /nfs/dbraw/zinc/64/69/73/400646973.db2.gz KPNXJVGYPYRCHY-HNNXBMFYSA-N -1 0 317.772 3.215 50 0 DGAARM CN(C(=O)c1ccc([O-])c(Cl)c1)C1Cc2ccccc2C1 ZINC000055626939 400880977 /nfs/dbraw/zinc/88/09/77/400880977.db2.gz LIMBWSPQEPYOGI-UHFFFAOYSA-N -1 0 301.773 3.285 50 0 DGAARM CCn1nc(C)c(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c1C ZINC000606443813 400912826 /nfs/dbraw/zinc/91/28/26/400912826.db2.gz JTHBEGSLUQHAKY-WNXMRAAYSA-N -1 0 303.387 3.245 50 0 DGAARM O=c1c2cccc3cccc(c23)c1=N[N-]c1ncccc1Cl ZINC000606443076 400913563 /nfs/dbraw/zinc/91/35/63/400913563.db2.gz TZQWXGQSLBXILV-UHFFFAOYSA-N -1 0 307.740 3.205 50 0 DGAARM Cn1ncc(C2CCC2)c1/C=C\c1ncc(/C=C\C(=O)[O-])s1 ZINC000606445094 400914420 /nfs/dbraw/zinc/91/44/20/400914420.db2.gz XUHYRTWARFOWIF-HSHIGALWSA-N -1 0 315.398 3.412 50 0 DGAARM CCOc1cncc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000621989003 401332298 /nfs/dbraw/zinc/33/22/98/401332298.db2.gz UCHALENDJCYOKL-WAYWQWQTSA-N -1 0 313.357 3.262 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000261995157 165775406 /nfs/dbraw/zinc/77/54/06/165775406.db2.gz UGCJGTJPAMIKJU-UHFFFAOYSA-N -1 0 317.370 3.040 50 0 DGAARM O=C([O-])CC1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000263299180 165850237 /nfs/dbraw/zinc/85/02/37/165850237.db2.gz UCXPMBQTEZLBGO-UHFFFAOYSA-N -1 0 301.386 3.281 50 0 DGAARM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccoc3)nc21 ZINC000291013045 222071671 /nfs/dbraw/zinc/07/16/71/222071671.db2.gz WNLOOCCOMIBGMI-UHFFFAOYSA-N -1 0 312.416 3.151 50 0 DGAARM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000299744981 229383401 /nfs/dbraw/zinc/38/34/01/229383401.db2.gz QLJQECFZLPYHMA-GVOSGWPFSA-N -1 0 321.804 3.203 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000299746430 229388617 /nfs/dbraw/zinc/38/86/17/229388617.db2.gz XHVNIKYKQJUIMJ-BHYGNILZSA-N -1 0 315.413 3.344 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000000327905 425554116 /nfs/dbraw/zinc/55/41/16/425554116.db2.gz KKOVFIUNCUSRCE-UHFFFAOYSA-N -1 0 304.415 3.488 50 0 DGAARM CC(C)Cn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100458818 275923578 /nfs/dbraw/zinc/92/35/78/275923578.db2.gz VFDIUJNDINPEOS-UHFFFAOYSA-N -1 0 313.220 3.104 50 0 DGAARM CC(=C\c1ccccc1)/C=C1/SC(=O)N(CCC(=O)[O-])C1=O ZINC000027229262 277928877 /nfs/dbraw/zinc/92/88/77/277928877.db2.gz OMMDOWQBLAXFBP-HOJJKJLFSA-N -1 0 317.366 3.144 50 0 DGAARM CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@H](C(=O)[O-])OC1(C)C ZINC000021982884 278420129 /nfs/dbraw/zinc/42/01/29/278420129.db2.gz VAHXMEZCPGHDBJ-QWHCGFSZSA-N -1 0 321.373 3.184 50 0 DGAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2n1C ZINC000000044194 431115242 /nfs/dbraw/zinc/11/52/42/431115242.db2.gz IZVQLNGYVWWBQP-UHFFFAOYSA-N -1 0 306.321 3.361 50 0 biogenic DGAARM Cc1cc(Cl)nc(Cl)c1S(=O)(=O)NC1CCCCC1 ZINC000000093034 431121541 /nfs/dbraw/zinc/12/15/41/431121541.db2.gz BLODWYBBVPAUTK-UHFFFAOYSA-N -1 0 323.245 3.308 50 0 DGAARM O=C([O-])c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000000156160 431135961 /nfs/dbraw/zinc/13/59/61/431135961.db2.gz YPGYLCZBZKRYQJ-UHFFFAOYSA-N -1 0 318.169 3.267 50 0 in-vitro DGAARM Cn1c2ccccc2c2cc([C@H]3N[C@@H](C(=O)[O-])CS3)ccc21 ZINC000000205069 431144155 /nfs/dbraw/zinc/14/41/55/431144155.db2.gz ADSFHNHOOIYLNE-CJNGLKHVSA-N -1 0 312.394 3.120 50 0 DGAARM Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000000348429 431168690 /nfs/dbraw/zinc/16/86/90/431168690.db2.gz ATOWWQNUFHSVDL-UHFFFAOYSA-N -1 0 301.367 3.496 50 0 DGAARM CC(C)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000435012 431182470 /nfs/dbraw/zinc/18/24/70/431182470.db2.gz GPZBSEJULMKJDZ-UHFFFAOYSA-N -1 0 309.321 3.309 50 0 DGAARM Cc1ccc2nc(N[C@@H](C)C(=O)[O-])nc(-c3ccccc3)c2c1 ZINC000000520142 431196815 /nfs/dbraw/zinc/19/68/15/431196815.db2.gz CPURVBANMAQXJZ-LBPRGKRZSA-N -1 0 307.353 3.490 50 0 DGAARM O=S(=O)([N-]c1nccs1)c1cc(Cl)ccc1Cl ZINC000000552571 431198705 /nfs/dbraw/zinc/19/87/05/431198705.db2.gz DJRKCQFSAXVEED-UHFFFAOYSA-N -1 0 309.199 3.251 50 0 aggregator DGAARM O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000000207784 431145416 /nfs/dbraw/zinc/14/54/16/431145416.db2.gz IUVOXSXSRZAFFM-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000000278466 431159250 /nfs/dbraw/zinc/15/92/50/431159250.db2.gz ASSNTODWRYJKBP-AWEZNQCLSA-N -1 0 321.735 3.425 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2ccncc2)c(Cl)cc1Cl ZINC000000863572 431211064 /nfs/dbraw/zinc/21/10/64/431211064.db2.gz DEAVKZXHUMXARA-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002567670 431258469 /nfs/dbraw/zinc/25/84/69/431258469.db2.gz GVKQCRRZMAVASQ-LBPRGKRZSA-N -1 0 313.781 3.203 50 0 DGAARM Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001773341 431237695 /nfs/dbraw/zinc/23/76/95/431237695.db2.gz NCVWMPKRXKLBBT-UHFFFAOYSA-N -1 0 313.353 3.491 50 0 DGAARM O=C([O-])COc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000002541749 431256972 /nfs/dbraw/zinc/25/69/72/431256972.db2.gz OIQBATKHAVUPOK-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM O=C([O-])C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000071372290 431280145 /nfs/dbraw/zinc/28/01/45/431280145.db2.gz FYJYTASNASJXAD-UHFFFAOYSA-N -1 0 312.365 3.398 50 0 DGAARM CC1=CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H](C(=O)[O-])C1 ZINC000004713586 431299986 /nfs/dbraw/zinc/29/99/86/431299986.db2.gz VOKRAUZDTBXLAD-GHMZBOCLSA-N -1 0 316.382 3.292 50 0 DGAARM CSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000005072927 431307840 /nfs/dbraw/zinc/30/78/40/431307840.db2.gz JNHRNQWQAOURLA-UHFFFAOYSA-N -1 0 324.405 3.378 50 0 DGAARM Cc1cccc(C)c1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006742446 431318887 /nfs/dbraw/zinc/31/88/87/431318887.db2.gz MUQZTVYAHZKJSC-PFSRBDOWSA-N -1 0 301.386 3.379 50 0 DGAARM Cc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1C ZINC000006727079 431319453 /nfs/dbraw/zinc/31/94/53/431319453.db2.gz DHERWNVDUZZBCP-BCAXMMLOSA-N -1 0 301.386 3.379 50 0 DGAARM CC1=C(C)C[C@H](C(=O)N2CCc3ccccc3C2)[C@H](C(=O)[O-])C1 ZINC000006741148 431319531 /nfs/dbraw/zinc/31/95/31/431319531.db2.gz SKTDAYOABRBUAT-DLBZAZTESA-N -1 0 313.397 3.019 50 0 DGAARM O=S1(=O)[N-]C(SCc2cccc(F)c2)=Nc2ccccc21 ZINC000006918529 431325088 /nfs/dbraw/zinc/32/50/88/431325088.db2.gz ZHLSRAUTARMBKL-UHFFFAOYSA-N -1 0 322.386 3.229 50 0 DGAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000006975271 431326743 /nfs/dbraw/zinc/32/67/43/431326743.db2.gz IRWSSSAUJGULPK-LLVKDONJSA-N -1 0 321.446 3.351 50 0 DGAARM Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074347860 431415881 /nfs/dbraw/zinc/41/58/81/431415881.db2.gz FKTGHASRNUGPCR-QMMMGPOBSA-N -1 0 316.386 3.023 50 0 DGAARM O=c1[n-]c(SCCc2ccccc2)nnc1-c1ccccc1 ZINC000009184405 431423895 /nfs/dbraw/zinc/42/38/95/431423895.db2.gz ZCSOEWCPEMCTEX-UHFFFAOYSA-N -1 0 309.394 3.167 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1 ZINC000008195577 431384375 /nfs/dbraw/zinc/38/43/75/431384375.db2.gz MJKHVFQXAVEUFD-UHFFFAOYSA-N -1 0 304.415 3.425 50 0 DGAARM Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000008429432 431399821 /nfs/dbraw/zinc/39/98/21/431399821.db2.gz FVGRLGHCJMSXBF-UHFFFAOYSA-N -1 0 322.748 3.214 50 0 DGAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)[C@H]1CCCO1 ZINC000008723783 431408867 /nfs/dbraw/zinc/40/88/67/431408867.db2.gz JZQUWUVLIJVANI-GFCCVEGCSA-N -1 0 317.366 3.231 50 0 DGAARM Cc1nnc(SCc2c(Cl)cccc2Cl)[n-]c1=O ZINC000009691947 431444869 /nfs/dbraw/zinc/44/48/69/431444869.db2.gz FIBIVBYZPYKWQO-UHFFFAOYSA-N -1 0 302.186 3.485 50 0 DGAARM O=S(=O)([N-]c1ccnc2ccncc12)c1ccc(Cl)cc1 ZINC000075109680 431452830 /nfs/dbraw/zinc/45/28/30/431452830.db2.gz MHZIHDVPLYLUHG-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM C[C@H](Oc1ccc2cc(-c3cccs3)c(=O)oc2c1)C(=O)[O-] ZINC000011766232 431479962 /nfs/dbraw/zinc/47/99/62/431479962.db2.gz XECQVTAKVHKIHF-VIFPVBQESA-N -1 0 316.334 3.373 50 0 DGAARM O=C(c1ccccc1O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009221469 431428610 /nfs/dbraw/zinc/42/86/10/431428610.db2.gz AISRXNZJZHWICI-UHFFFAOYSA-N -1 0 316.788 3.008 50 0 DGAARM Cc1ccc(S[C@@H](C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000012794417 431529905 /nfs/dbraw/zinc/52/99/05/431529905.db2.gz IJOYOXHPJTUPJT-ZDUSSCGKSA-N -1 0 309.431 3.237 50 0 DGAARM O=c1[n-]c(Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 ZINC000011905819 431483632 /nfs/dbraw/zinc/48/36/32/431483632.db2.gz KAVVNKLYEZJCSK-UHFFFAOYSA-N -1 0 316.723 3.368 50 0 DGAARM CCc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000011917428 431489349 /nfs/dbraw/zinc/48/93/49/431489349.db2.gz AIKMUEMBPFGPIS-UHFFFAOYSA-N -1 0 306.372 3.069 50 0 DGAARM COc1ccc([C@@H](Nc2ccc(C)cc2)[P@@](=O)([O-])O)cc1 ZINC000012523020 431513069 /nfs/dbraw/zinc/51/30/69/431513069.db2.gz LXDWJTRRDNMVJP-HNNXBMFYSA-N -1 0 307.286 3.292 50 0 DGAARM Cc1ccc([C@H]([NH2+]CCc2ccccc2)P(=O)([O-])[O-])s1 ZINC000012949520 431538375 /nfs/dbraw/zinc/53/83/75/431538375.db2.gz FKVUOZZMUQSDID-CQSZACIVSA-N -1 0 311.343 3.065 50 0 DGAARM O=C([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000013135845 431546308 /nfs/dbraw/zinc/54/63/08/431546308.db2.gz FCHRLPPUNQKKMO-UHFFFAOYSA-N -1 0 309.247 3.245 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4ccccc43)c12 ZINC000021715888 431630858 /nfs/dbraw/zinc/63/08/58/431630858.db2.gz JUVYJURLMYOLRY-UHFFFAOYSA-N -1 0 311.366 3.392 50 0 DGAARM CC(C)(C)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000028248098 431703612 /nfs/dbraw/zinc/70/36/12/431703612.db2.gz REKKFWPPHGKINO-UHFFFAOYSA-N -1 0 302.446 3.303 50 0 DGAARM Cn1nccc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000031823993 431767030 /nfs/dbraw/zinc/76/70/30/431767030.db2.gz RNIXQTKZESOMHP-ZHACJKMWSA-N -1 0 313.382 3.435 50 0 DGAARM COC(=O)c1cccc(C[P@](=O)([O-])CCc2ccccc2)c1 ZINC000032102386 431772883 /nfs/dbraw/zinc/77/28/83/431772883.db2.gz ZKFAUIJHLOUKSC-UHFFFAOYSA-N -1 0 318.309 3.486 50 0 DGAARM CCC(=O)Nc1cc(Br)c([O-])c(Br)c1 ZINC000032116361 431774214 /nfs/dbraw/zinc/77/42/14/431774214.db2.gz ZBPYNKYAQKSNOV-UHFFFAOYSA-N -1 0 322.984 3.266 50 0 DGAARM O=C([O-])/C=C/c1cc(Br)ccc1OC(F)(F)F ZINC000085477358 431840009 /nfs/dbraw/zinc/84/00/09/431840009.db2.gz YKDNHKRIBXNWGZ-DAFODLJHSA-N -1 0 311.053 3.446 50 0 DGAARM CCc1cc2c(nc(CC)nc2N2CCC(C(=O)[O-])CC2)s1 ZINC000041090128 431858206 /nfs/dbraw/zinc/85/82/06/431858206.db2.gz NOOCMBZCZUCFJL-UHFFFAOYSA-N -1 0 319.430 3.117 50 0 DGAARM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000095067985 431920802 /nfs/dbraw/zinc/92/08/02/431920802.db2.gz CCWWSHNVAYHWRV-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM O=S(=O)([N-]c1ccccc1)c1cc(-c2ccno2)cs1 ZINC000044892955 431878650 /nfs/dbraw/zinc/87/86/50/431878650.db2.gz QXGLDGIXQNMSOB-UHFFFAOYSA-N -1 0 306.368 3.204 50 0 DGAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000045923034 431891288 /nfs/dbraw/zinc/89/12/88/431891288.db2.gz MZCOBSRCOSWVSP-GJZGRUSLSA-N -1 0 315.756 3.335 50 0 DGAARM CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000095969743 431929836 /nfs/dbraw/zinc/92/98/36/431929836.db2.gz CAMHVAKNYMYFSC-SNVBAGLBSA-N -1 0 318.398 3.456 50 0 DGAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cnccn1 ZINC000095977874 431930982 /nfs/dbraw/zinc/93/09/82/431930982.db2.gz OFMFPGVDFRUDBV-UHFFFAOYSA-N -1 0 318.547 3.395 50 0 DGAARM CC(C)(C)c1ncsc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000095992005 431932800 /nfs/dbraw/zinc/93/28/00/431932800.db2.gz HRQDGQLLQSOSDZ-LLVKDONJSA-N -1 0 324.446 3.158 50 0 DGAARM COCCC[C@H]1CCCN(c2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC000096152641 431940805 /nfs/dbraw/zinc/94/08/05/431940805.db2.gz XKKZGMSSJPHTCB-LLVKDONJSA-N -1 0 312.797 3.076 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000097035844 431956965 /nfs/dbraw/zinc/95/69/65/431956965.db2.gz QIRDMHDXPJEURN-KGLIPLIRSA-N -1 0 315.394 3.175 50 0 DGAARM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1(C)C ZINC000097045099 431957482 /nfs/dbraw/zinc/95/74/82/431957482.db2.gz KBXWDAXWFUPGLA-IIAWOOMASA-N -1 0 307.434 3.328 50 0 DGAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000097045166 431957784 /nfs/dbraw/zinc/95/77/84/431957784.db2.gz KKNQIDJRXCHYFW-CYBMUJFWSA-N -1 0 309.431 3.030 50 0 DGAARM O=C([O-])c1ccc(C(=O)NCCCSCc2ccco2)cc1 ZINC000097495403 431970331 /nfs/dbraw/zinc/97/03/31/431970331.db2.gz FLSLDXYFRHGBMY-UHFFFAOYSA-N -1 0 319.382 3.031 50 0 DGAARM CC(C)c1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000101680284 431988036 /nfs/dbraw/zinc/98/80/36/431988036.db2.gz VBYKKIZPTRQUGC-INIZCTEOSA-N -1 0 322.364 3.054 50 0 DGAARM CC1(C)Cc2nc3sc4c([n-]c(=S)[nH]c4=O)c3cc2CO1 ZINC000009289502 281376802 /nfs/dbraw/zinc/37/68/02/281376802.db2.gz YJGZTIYTOINAND-UHFFFAOYSA-N -1 0 319.411 3.047 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000128547268 431996144 /nfs/dbraw/zinc/99/61/44/431996144.db2.gz MCYKGOUTRSDLQH-LBPRGKRZSA-N -1 0 315.325 3.009 50 0 DGAARM Cc1ccc(-c2csc3[n-]c(-c4nc[nH]n4)nc(=O)c23)cc1C ZINC000102747994 431998255 /nfs/dbraw/zinc/99/82/55/431998255.db2.gz IKSBBEDBVAWKHQ-UHFFFAOYSA-N -1 0 323.381 3.054 50 0 DGAARM COc1ccccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000254704547 432404787 /nfs/dbraw/zinc/40/47/87/432404787.db2.gz CUXPJEISDBEEBI-UHFFFAOYSA-N -1 0 304.733 3.493 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c(C)s1 ZINC000175651407 432455149 /nfs/dbraw/zinc/45/51/49/432455149.db2.gz OEFIRDWEXYHTSY-UHFFFAOYSA-N -1 0 314.432 3.451 50 0 DGAARM CC[C@](NC(=O)[C@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000263158934 432524130 /nfs/dbraw/zinc/52/41/30/432524130.db2.gz OOTSIBGXJIRPIB-AUUYWEPGSA-N -1 0 311.381 3.296 50 0 DGAARM O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263321195 432533481 /nfs/dbraw/zinc/53/34/81/432533481.db2.gz NQAFIADZMRZRNJ-CALCHBBNSA-N -1 0 323.392 3.188 50 0 DGAARM O=C([O-])C1(NC(=O)C2(c3ccc(Cl)cc3)CCC2)CCCC1 ZINC000216365364 432649140 /nfs/dbraw/zinc/64/91/40/432649140.db2.gz IWNFDYFSOGSHSE-UHFFFAOYSA-N -1 0 321.804 3.275 50 0 DGAARM COc1cc(C(=O)[O-])c(NC(=O)OC(C)(C)C)cc1Cl ZINC000219461879 432663435 /nfs/dbraw/zinc/66/34/35/432663435.db2.gz BJSGMLJYYYGTMB-UHFFFAOYSA-N -1 0 301.726 3.394 50 0 DGAARM O=C(c1ccc2ccccc2c1O)N1CCO[C@H]2CCCC[C@H]21 ZINC000225510007 432692571 /nfs/dbraw/zinc/69/25/71/432692571.db2.gz SGLSNUDFAISXNJ-SJORKVTESA-N -1 0 311.381 3.329 50 0 DGAARM O=C([O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000225466178 432693299 /nfs/dbraw/zinc/69/32/99/432693299.db2.gz KZQDNSJPXONJQF-ZWKOTPCHSA-N -1 0 323.392 3.267 50 0 DGAARM Cc1ccccc1-c1nc2n(n1)[C@](C)(C(=O)[O-])Nc1ccccc1-2 ZINC000225402522 432689295 /nfs/dbraw/zinc/68/92/95/432689295.db2.gz AHNMLBRRFQRTRF-GOSISDBHSA-N -1 0 320.352 3.103 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)nc1 ZINC000237979543 432807502 /nfs/dbraw/zinc/80/75/02/432807502.db2.gz HOBSJMVEUOFQBS-INIZCTEOSA-N -1 0 324.380 3.017 50 0 DGAARM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000238058127 432811146 /nfs/dbraw/zinc/81/11/46/432811146.db2.gz QQFDWJMIWSUBLJ-UHFFFAOYSA-N -1 0 310.231 3.051 50 0 DGAARM CC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000239402540 432814870 /nfs/dbraw/zinc/81/48/70/432814870.db2.gz QTSNAOXHHDBVOD-OAGGEKHMSA-N -1 0 301.386 3.229 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000239338789 432814956 /nfs/dbraw/zinc/81/49/56/432814956.db2.gz LGACXVYQLUHXOK-RRFJBIMHSA-N -1 0 301.386 3.148 50 0 DGAARM CCCN(Cc1ccccc1C)C(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000426425522 433497145 /nfs/dbraw/zinc/49/71/45/433497145.db2.gz WWJDIWCENUERNU-MRXNPFEDSA-N -1 0 320.433 3.416 50 0 DGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000342445796 433696784 /nfs/dbraw/zinc/69/67/84/433696784.db2.gz JQQMZESIVLQEES-UHFFFAOYSA-N -1 0 312.341 3.437 50 0 DGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H]1OC(=O)c2ccccc21 ZINC000101027497 293683743 /nfs/dbraw/zinc/68/37/43/293683743.db2.gz YILNJCYMQBNALH-INIZCTEOSA-N -1 0 306.321 3.146 50 0 DGAARM COc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237337912 295203676 /nfs/dbraw/zinc/20/36/76/295203676.db2.gz SWUBSIMNKITSML-HIFRSBDPSA-N -1 0 319.401 3.045 50 0 DGAARM COc1cccc(C(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000001397594 295282655 /nfs/dbraw/zinc/28/26/55/295282655.db2.gz CRPBEYWLMWEYNV-OAHLLOKOSA-N -1 0 302.301 3.276 50 0 DGAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1 ZINC000100709016 301227034 /nfs/dbraw/zinc/22/70/34/301227034.db2.gz JDSPBMZCXUBVNI-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM Cc1cccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659196696 436475356 /nfs/dbraw/zinc/47/53/56/436475356.db2.gz XJALIQDLYMJLEK-ULQDDVLXSA-N -1 0 315.413 3.029 50 0 DGAARM Cc1ccc2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)[nH]c2c1 ZINC000237888341 301920072 /nfs/dbraw/zinc/92/00/72/301920072.db2.gz KKSYEROJISBFHV-CYBMUJFWSA-N -1 0 314.385 3.193 50 0 DGAARM Cc1cccc2sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])nc21 ZINC000012998452 302074294 /nfs/dbraw/zinc/07/42/94/302074294.db2.gz OBONINOXVBAURS-GHMZBOCLSA-N -1 0 318.398 3.434 50 0 DGAARM Cc1ccccc1-n1c(SCC(=O)[O-])nnc1[C@@H]1CC1(C)C ZINC000065527697 302074726 /nfs/dbraw/zinc/07/47/26/302074726.db2.gz ROSKQADJSYHCHP-NSHDSACASA-N -1 0 317.414 3.266 50 0 DGAARM Cc1ccccc1[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000035534055 302169216 /nfs/dbraw/zinc/16/92/16/302169216.db2.gz QWSDKECXUGMZES-ZIAGYGMSSA-N -1 0 305.374 3.378 50 0 DGAARM CS(=O)(=O)[N-]c1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000130078454 323212829 /nfs/dbraw/zinc/21/28/29/323212829.db2.gz GBBXPTXZNGVMBE-UHFFFAOYSA-N -1 0 322.333 3.200 50 0 DGAARM Cc1onc(-c2ccc(F)c(Br)c2)c1C(=O)[O-] ZINC000070426665 545707948 /nfs/dbraw/zinc/70/79/48/545707948.db2.gz JJIDIIKHFNDYIN-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000239121156 546294234 /nfs/dbraw/zinc/29/42/34/546294234.db2.gz JKMKFVJLYBZSHJ-FVQBIDKESA-N -1 0 303.402 3.015 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000317487757 546461022 /nfs/dbraw/zinc/46/10/22/546461022.db2.gz DKYZEUFZZAFGAN-UTUOFQBUSA-N -1 0 321.339 3.211 50 0 DGAARM CCC(CC)(CNC(=O)c1cc2cccc(F)c2o1)C(=O)[O-] ZINC000678991600 548807340 /nfs/dbraw/zinc/80/73/40/548807340.db2.gz VESLPXRALSPFRJ-UHFFFAOYSA-N -1 0 307.321 3.193 50 0 DGAARM Cc1cc([C@H](C(=O)[O-])N2CC(Oc3ccccc3)C2)ccc1F ZINC001529144084 1187536678 /nfs/dbraw/zinc/53/66/78/1187536678.db2.gz IHLUTNLBZLDENY-QGZVFWFLSA-N -1 0 315.344 3.023 50 0 DGAARM CN(CC[C@H]1CCCCO1)c1cc(C(=O)[O-])c2ccccc2n1 ZINC001529179602 1187538888 /nfs/dbraw/zinc/53/88/88/1187538888.db2.gz YXPXIWQSSNAYGI-CYBMUJFWSA-N -1 0 314.385 3.328 50 0 DGAARM COc1ccc(-c2onc(NC3CCCC3)c2C(=O)[O-])cc1 ZINC001704311129 1202520592 /nfs/dbraw/zinc/52/05/92/1202520592.db2.gz ZGWRSLXGJQYZNT-UHFFFAOYSA-N -1 0 302.330 3.403 50 0 DGAARM O=C([O-])c1c(NC[C@H]2CCCCO2)noc1-c1ccccc1 ZINC001704328900 1202521017 /nfs/dbraw/zinc/52/10/17/1202521017.db2.gz ONVUNHLLYYEHNT-GFCCVEGCSA-N -1 0 302.330 3.021 50 0 DGAARM O=C([O-])c1ccc(F)c(NC(=O)c2ccc3ncccc3c2)c1 ZINC000095396983 185353183 /nfs/dbraw/zinc/35/31/83/185353183.db2.gz QSZRHGFDQXMCQU-UHFFFAOYSA-N -1 0 310.284 3.324 50 0 DGAARM O=C([O-])CC1(NC(=O)c2cccc3cc[nH]c32)CCCCC1 ZINC000097002852 185396307 /nfs/dbraw/zinc/39/63/07/185396307.db2.gz CLVJXIALYGJUNX-UHFFFAOYSA-N -1 0 300.358 3.075 50 0 DGAARM O=C(CC1CCOCC1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000095453039 185369430 /nfs/dbraw/zinc/36/94/30/185369430.db2.gz LWZFGFUDRCBFTI-UHFFFAOYSA-N -1 0 304.173 3.454 50 0 DGAARM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000097018517 185398013 /nfs/dbraw/zinc/39/80/13/185398013.db2.gz NRDLZKDGFTUPGM-LBPRGKRZSA-N -1 0 315.344 3.286 50 0 DGAARM Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(F)c1 ZINC000097032936 185399759 /nfs/dbraw/zinc/39/97/59/185399759.db2.gz FVWOUDNTKZKXOK-GFCCVEGCSA-N -1 0 307.365 3.097 50 0 DGAARM O=C([O-])CCCCCNC(=O)c1ccc(Cl)cc1Cl ZINC000020005949 190645004 /nfs/dbraw/zinc/64/50/04/190645004.db2.gz CENZXWZVIUGROP-UHFFFAOYSA-N -1 0 304.173 3.368 50 0 DGAARM Cc1nc2sc([C@@H](c3cccs3)N3CCCC3)c([O-])n2n1 ZINC000041637188 190670808 /nfs/dbraw/zinc/67/08/08/190670808.db2.gz DZWHFVSOEMQLFY-LLVKDONJSA-N -1 0 320.443 3.052 50 0 DGAARM CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000236640046 201944744 /nfs/dbraw/zinc/94/47/44/201944744.db2.gz OHGDOLYKFGTPIR-NSHDSACASA-N -1 0 324.446 3.158 50 0 DGAARM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236690412 201967946 /nfs/dbraw/zinc/96/79/46/201967946.db2.gz KRNKVTPHGPTMAF-AWEZNQCLSA-N -1 0 303.402 3.068 50 0 DGAARM CC(C)Oc1ccc(F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000066965571 432025227 /nfs/dbraw/zinc/02/52/27/432025227.db2.gz QBMJFIVVXKQCNX-UHFFFAOYSA-N -1 0 311.353 3.442 50 0 DGAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1F ZINC000004784866 295831197 /nfs/dbraw/zinc/83/11/97/295831197.db2.gz DMQFGTGDGVCRPO-SSDOTTSWSA-N -1 0 318.142 3.028 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000039415 180675215 /nfs/dbraw/zinc/67/52/15/180675215.db2.gz MKTXPHPVPAIBJL-MUWHJKNJSA-N -1 0 317.292 3.303 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(F)cc1)C(=O)[O-] ZINC000000391818 180775900 /nfs/dbraw/zinc/77/59/00/180775900.db2.gz AWTXCFLBYUGCEW-KRWDZBQOSA-N -1 0 323.364 3.223 50 0 DGAARM CCOc1cc2[n-]c(=S)n(C(C)C)c(=O)c2cc1OCC ZINC000000425115 180785935 /nfs/dbraw/zinc/78/59/35/180785935.db2.gz YIAJGPRSCFIPCF-UHFFFAOYSA-N -1 0 308.403 3.437 50 0 DGAARM CCC[C@@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-] ZINC000001912282 180901465 /nfs/dbraw/zinc/90/14/65/180901465.db2.gz CUDATLCKNUUVIF-LLVKDONJSA-N -1 0 324.178 3.058 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000002575217 180936685 /nfs/dbraw/zinc/93/66/85/180936685.db2.gz KHHIGWRTNILXLL-HNNXBMFYSA-N -1 0 315.369 3.360 50 0 DGAARM C[C@H](Sc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002541722 180933647 /nfs/dbraw/zinc/93/36/47/180933647.db2.gz CFYIQBZERDZIIX-JQWIXIFHSA-N -1 0 311.403 3.145 50 0 DGAARM O=C([N-]C(=O)c1ccccc1)OC(C(F)(F)F)C(F)(F)F ZINC000003154027 180986627 /nfs/dbraw/zinc/98/66/27/180986627.db2.gz UUTCCYWKTDRYMX-UHFFFAOYSA-N -1 0 315.169 3.046 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000003532661 181030340 /nfs/dbraw/zinc/03/03/40/181030340.db2.gz JSMWOEYGRMCASJ-UHFFFAOYSA-N -1 0 313.325 3.164 50 0 DGAARM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000003983741 181059502 /nfs/dbraw/zinc/05/95/02/181059502.db2.gz BFARJUBDWYUUHV-JTQLQIEISA-N -1 0 319.744 3.444 50 0 DGAARM COc1ccccc1CC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004523766 181119622 /nfs/dbraw/zinc/11/96/22/181119622.db2.gz FPOFKTDMTZCTID-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236804982 202019462 /nfs/dbraw/zinc/01/94/62/202019462.db2.gz GLAUXMQJVFWQTN-DLBZAZTESA-N -1 0 315.413 3.237 50 0 DGAARM O=C([O-])c1ccnc(-c2ccnc(NCC3=CCCCC3)n2)c1 ZINC000077319007 191691439 /nfs/dbraw/zinc/69/14/39/191691439.db2.gz NHFBVNBAJHKPCM-UHFFFAOYSA-N -1 0 310.357 3.149 50 0 DGAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000005134941 181208146 /nfs/dbraw/zinc/20/81/46/181208146.db2.gz PHRSIIHDIHEOFA-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000005516203 181252565 /nfs/dbraw/zinc/25/25/65/181252565.db2.gz LBLDWCORBVGHIL-UHFFFAOYSA-N -1 0 305.399 3.491 50 0 DGAARM O=S(=O)([N-]c1nnc(-c2ccccc2)s1)c1ccccc1 ZINC000005729553 181277665 /nfs/dbraw/zinc/27/76/65/181277665.db2.gz DVLGHVAOFZJRAZ-UHFFFAOYSA-N -1 0 317.395 3.006 50 0 DGAARM Cc1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1C ZINC000005730602 181277969 /nfs/dbraw/zinc/27/79/69/181277969.db2.gz CGQJJPRMCYZMBU-UHFFFAOYSA-N -1 0 324.332 3.377 50 0 DGAARM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000236986588 202111052 /nfs/dbraw/zinc/11/10/52/202111052.db2.gz QAPWGYZHVVZDJO-AWEZNQCLSA-N -1 0 313.353 3.056 50 0 DGAARM C[C@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)[O-] ZINC000005880854 181292337 /nfs/dbraw/zinc/29/23/37/181292337.db2.gz ORHGLKNUJMIPHV-LURJTMIESA-N -1 0 318.276 3.321 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000179234595 199002865 /nfs/dbraw/zinc/00/28/65/199002865.db2.gz LRWLXISPPRDEKC-UHFFFAOYSA-N -1 0 311.328 3.468 50 0 DGAARM CSCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237384741 202250644 /nfs/dbraw/zinc/25/06/44/202250644.db2.gz QHTFGPIBLQFZOQ-OAHLLOKOSA-N -1 0 321.442 3.409 50 0 DGAARM O=c1c(-c2ccc3ccccc3n2)coc2cc([O-])cc(O)c12 ZINC000005927641 181297008 /nfs/dbraw/zinc/29/70/08/181297008.db2.gz HZPUWWOFRAOANA-UHFFFAOYSA-N -1 0 305.289 3.419 50 0 biogenic DGAARM O=C([O-])C[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000008576366 304081457 /nfs/dbraw/zinc/08/14/57/304081457.db2.gz XGGQWFQIIGRYCS-ZDUSSCGKSA-N -1 0 301.317 3.098 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2o1)c1cccs1 ZINC000072307159 304081961 /nfs/dbraw/zinc/08/19/61/304081961.db2.gz NKYPTHWCZKSYNV-NSHDSACASA-N -1 0 315.350 3.440 50 0 DGAARM Cc1c(NC(=O)c2cnc(C3CC3)s2)cccc1C(=O)[O-] ZINC000089540428 192813229 /nfs/dbraw/zinc/81/32/29/192813229.db2.gz BZGOPKSIDRJULY-UHFFFAOYSA-N -1 0 302.355 3.279 50 0 DGAARM Cc1cc(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)s1 ZINC000237605129 202300724 /nfs/dbraw/zinc/30/07/24/202300724.db2.gz STCXYXUNGUVBCY-MRXNPFEDSA-N -1 0 309.431 3.011 50 0 DGAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC1=CCCCC1 ZINC000237751954 202346439 /nfs/dbraw/zinc/34/64/39/202346439.db2.gz DUHRSVCURSZYDW-UHFFFAOYSA-N -1 0 303.358 3.287 50 0 DGAARM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)o1 ZINC000237970998 202408557 /nfs/dbraw/zinc/40/85/57/202408557.db2.gz MTMQBRRSOJBANO-UHFFFAOYSA-N -1 0 321.279 3.061 50 0 DGAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000261960667 304095266 /nfs/dbraw/zinc/09/52/66/304095266.db2.gz XOWCCGAQKBETLT-SJORKVTESA-N -1 0 309.365 3.049 50 0 DGAARM CCc1c(C)sc2[n-]c(=S)n(CC3CCCO3)c(=O)c12 ZINC000006006215 181305692 /nfs/dbraw/zinc/30/56/92/181305692.db2.gz KXKJAERVMXBKKD-VIFPVBQESA-N -1 0 310.444 3.170 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000000475300 304099890 /nfs/dbraw/zinc/09/98/90/304099890.db2.gz VVSCQFYWYRWFDU-VHSXEESVSA-N -1 0 313.275 3.311 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000006692972 181371004 /nfs/dbraw/zinc/37/10/04/181371004.db2.gz HRBQDQOOFCWHTR-CQSZACIVSA-N -1 0 301.342 3.490 50 0 DGAARM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000006706497 181375277 /nfs/dbraw/zinc/37/52/77/181375277.db2.gz SXLDIIDOGSJFDP-UHFFFAOYSA-N -1 0 310.806 3.488 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000006730160 181378147 /nfs/dbraw/zinc/37/81/47/181378147.db2.gz YWCJWEKQAAACAB-KKUMJFAQSA-N -1 0 303.402 3.372 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000006730156 181378566 /nfs/dbraw/zinc/37/85/66/181378566.db2.gz YWCJWEKQAAACAB-ZNMIVQPWSA-N -1 0 303.402 3.372 50 0 DGAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])c2cc(Cl)ccc2n1 ZINC000006825220 181395618 /nfs/dbraw/zinc/39/56/18/181395618.db2.gz KENMXPAXDXABRA-UHFFFAOYSA-N -1 0 301.733 3.295 50 0 DGAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccsc2)C1 ZINC000091657249 193086061 /nfs/dbraw/zinc/08/60/61/193086061.db2.gz LVDJORCUOSEZIK-INIZCTEOSA-N -1 0 307.415 3.411 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3o2)c2ccccc21 ZINC000177478960 304132334 /nfs/dbraw/zinc/13/23/34/304132334.db2.gz MGXDPZHTQAQMEO-CYBMUJFWSA-N -1 0 307.305 3.261 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nccc2ccccc21 ZINC000299743845 304144564 /nfs/dbraw/zinc/14/45/64/304144564.db2.gz PIOQMYFGRMKRHW-IMJJTQAJSA-N -1 0 324.380 3.093 50 0 DGAARM Cc1oc(C(C)C)cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263199414 203444496 /nfs/dbraw/zinc/44/44/96/203444496.db2.gz UTXWFTCTYHDMMN-UHFFFAOYSA-N -1 0 301.342 3.340 50 0 DGAARM CCOc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)ccc1C ZINC000095991842 193482263 /nfs/dbraw/zinc/48/22/63/193482263.db2.gz PYDXVFIDLOJEBO-UHFFFAOYSA-N -1 0 319.401 3.111 50 0 DGAARM C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000095992021 193482546 /nfs/dbraw/zinc/48/25/46/193482546.db2.gz BQKLDWXFWPZGCL-STQMWFEESA-N -1 0 309.431 3.030 50 0 DGAARM CCCc1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1 ZINC000008602312 181568091 /nfs/dbraw/zinc/56/80/91/181568091.db2.gz TUVOTAUNMZKPKG-UHFFFAOYSA-N -1 0 300.387 3.075 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000015445999 182002307 /nfs/dbraw/zinc/00/23/07/182002307.db2.gz UHRXHCZPUWORFZ-UONOGXRCSA-N -1 0 305.374 3.112 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC000015446006 182002615 /nfs/dbraw/zinc/00/26/15/182002615.db2.gz BNUHNLZVJMQDJJ-KBPBESRZSA-N -1 0 305.374 3.112 50 0 DGAARM O=c1[n-]c(-c2ccccn2)nc(C(F)(F)F)c1Br ZINC000015987484 182027917 /nfs/dbraw/zinc/02/79/17/182027917.db2.gz JUCVUSOJYXQXFD-UHFFFAOYSA-N -1 0 320.068 3.026 50 0 DGAARM O=C([O-])c1cccc2[nH]c(Cc3c(F)cccc3Cl)c(O)c21 ZINC000019874948 182159120 /nfs/dbraw/zinc/15/91/20/182159120.db2.gz WAMRCNDWRQOHIK-ZDUSSCGKSA-N -1 0 319.719 3.397 50 0 DGAARM CCc1ccc(NC(=O)CSc2ccc(C(=O)[O-])cn2)cc1 ZINC000021523155 182278685 /nfs/dbraw/zinc/27/86/85/182278685.db2.gz LQENQVWOVOHPLI-UHFFFAOYSA-N -1 0 316.382 3.073 50 0 DGAARM C[C@@](NC(=O)Nc1cc(Cl)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000036750224 182840032 /nfs/dbraw/zinc/84/00/32/182840032.db2.gz JTGQOMRKHAHSBY-ZDUSSCGKSA-N -1 0 317.172 3.368 50 0 DGAARM Cc1cc(C)n(CCNc2cc(C)nc(-c3ccccc3[O-])n2)n1 ZINC000101825434 193844021 /nfs/dbraw/zinc/84/40/21/193844021.db2.gz WEKGUEBFHKYURD-UHFFFAOYSA-N -1 0 323.400 3.083 50 0 DGAARM O=C([O-])c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000038342326 182998401 /nfs/dbraw/zinc/99/84/01/182998401.db2.gz TZVBKGSAPRNFGX-UHFFFAOYSA-N -1 0 318.169 3.267 50 0 DGAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)o2)c1C ZINC000064958615 184306949 /nfs/dbraw/zinc/30/69/49/184306949.db2.gz ZLKRBACYEBQPKS-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM O=C([O-])c1ccc(C(F)(F)F)cc1I ZINC000008699308 304239784 /nfs/dbraw/zinc/23/97/84/304239784.db2.gz WCLYLTXCKMZNOH-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007886060 304251088 /nfs/dbraw/zinc/25/10/88/304251088.db2.gz RRSKKGUEORWHEA-INIZCTEOSA-N -1 0 308.337 3.114 50 0 DGAARM CC(C)[C@@H](C(=O)[O-])[S@@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000097826605 257253080 /nfs/dbraw/zinc/25/30/80/257253080.db2.gz LEEPCYDDRNDMJN-PRWKNARSSA-N -1 0 308.321 3.063 50 0 DGAARM O=C([O-])c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000226835 304280234 /nfs/dbraw/zinc/28/02/34/304280234.db2.gz LYZQKJPJPOCQQM-GHMZBOCLSA-N -1 0 311.263 3.242 50 0 DGAARM O=C([O-])c1nn(-c2ccc(Br)cc2)c2c1CCCC2 ZINC000011802150 304284482 /nfs/dbraw/zinc/28/44/82/304284482.db2.gz DVJDROZKTORELN-UHFFFAOYSA-N -1 0 321.174 3.212 50 0 DGAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000066091693 304285360 /nfs/dbraw/zinc/28/53/60/304285360.db2.gz BTRAQLXTTBNMCM-SSDOTTSWSA-N -1 0 310.281 3.243 50 0 DGAARM O=C([O-])c1c(Br)cncc1Nc1ccccc1F ZINC000148054641 400653468 /nfs/dbraw/zinc/65/34/68/400653468.db2.gz NWCAZHUSPZSWDY-UHFFFAOYSA-N -1 0 311.110 3.425 50 0 DGAARM Cc1cc([C@H](C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C)s1 ZINC000248235175 401068584 /nfs/dbraw/zinc/06/85/84/401068584.db2.gz DHXUZJNJRIACGI-WCFLWFBJSA-N -1 0 307.415 3.209 50 0 DGAARM CC(C)(C)OC(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000062826327 401178060 /nfs/dbraw/zinc/17/80/60/401178060.db2.gz MNZYBISVBMCYRA-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000630294013 401237004 /nfs/dbraw/zinc/23/70/04/401237004.db2.gz DXTXOLQGPPWEPB-IOASZLSFSA-N -1 0 324.380 3.187 50 0 DGAARM CCCn1nccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000066253226 401297999 /nfs/dbraw/zinc/29/79/99/401297999.db2.gz ADDHZBORWMPBCR-UHFFFAOYSA-N -1 0 313.810 3.056 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cn1 ZINC000237976834 165444530 /nfs/dbraw/zinc/44/45/30/165444530.db2.gz KHCRRZQEOJWLSB-MRXNPFEDSA-N -1 0 324.380 3.017 50 0 DGAARM CC(C)(C)Cc1nc2cc(NC(=O)C3(C(=O)[O-])CC3)ccc2o1 ZINC000262199667 165792935 /nfs/dbraw/zinc/79/29/35/165792935.db2.gz IATPETSSKUXJDQ-UHFFFAOYSA-N -1 0 316.357 3.220 50 0 DGAARM COc1ccc(-c2c(C)c3ccc([O-])cc3oc2=O)c(OC)c1 ZINC000004084936 277396572 /nfs/dbraw/zinc/39/65/72/277396572.db2.gz AFZIHZNCRBQCOP-UHFFFAOYSA-N -1 0 312.321 3.491 50 0 biogenic DGAARM CC(=O)Nc1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc1 ZINC000098056260 278189873 /nfs/dbraw/zinc/18/98/73/278189873.db2.gz RLKSUZUARWHMES-CKCLTMHVSA-N -1 0 314.366 3.370 50 0 DGAARM CC(=O)c1c([O-])cc(C)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000016769630 278241748 /nfs/dbraw/zinc/24/17/48/278241748.db2.gz CYKUXMNBTABGBQ-UHFFFAOYSA-N -1 0 311.259 3.073 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000035570755 278390400 /nfs/dbraw/zinc/39/04/00/278390400.db2.gz OWIOBHQKBBEWRW-CQSZACIVSA-N -1 0 305.374 3.499 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(F)cc1)C(=O)[O-] ZINC000000391819 278392400 /nfs/dbraw/zinc/39/24/00/278392400.db2.gz AWTXCFLBYUGCEW-QGZVFWFLSA-N -1 0 323.364 3.223 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000036376744 278441783 /nfs/dbraw/zinc/44/17/83/278441783.db2.gz LJUATQZYDYSZPV-CQCMJFKXSA-N -1 0 309.406 3.181 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC000000069670 431120012 /nfs/dbraw/zinc/12/00/12/431120012.db2.gz FBPUHIZUSSEOAN-NWDGAFQWSA-N -1 0 309.312 3.351 50 0 DGAARM CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000143066 431134081 /nfs/dbraw/zinc/13/40/81/431134081.db2.gz GCAMMJGLUFZMCZ-UHFFFAOYSA-N -1 0 312.369 3.483 50 0 DGAARM Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)[O-])c1C ZINC000000144560 431134104 /nfs/dbraw/zinc/13/41/04/431134104.db2.gz GWRZSSISKXXWQT-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM CCOC(=O)c1cnc([N-]c2nc(C(C)(C)C)cs2)nc1C ZINC000000141670 431133673 /nfs/dbraw/zinc/13/36/73/431133673.db2.gz KRXPKGKQQLMKJS-UHFFFAOYSA-N -1 0 320.418 3.459 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000000141405 431133822 /nfs/dbraw/zinc/13/38/22/431133822.db2.gz HPPHPRGBPCYCJN-UHFFFAOYSA-N -1 0 321.398 3.203 50 0 DGAARM CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000000139803 431133885 /nfs/dbraw/zinc/13/38/85/431133885.db2.gz BJBUZFQULPCUGH-UHFFFAOYSA-N -1 0 318.760 3.357 50 0 DGAARM CCOC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000000151612 431137425 /nfs/dbraw/zinc/13/74/25/431137425.db2.gz CXYVBUFCTVWXNR-UHFFFAOYSA-N -1 0 309.321 3.497 50 0 DGAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 ZINC000000168473 431137451 /nfs/dbraw/zinc/13/74/51/431137451.db2.gz PLEBVGZLNNCTET-AWEZNQCLSA-N -1 0 319.744 3.392 50 0 DGAARM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2o1 ZINC000000172226 431138579 /nfs/dbraw/zinc/13/85/79/431138579.db2.gz LGAYPWUARUXDES-UHFFFAOYSA-N -1 0 324.308 3.215 50 0 DGAARM CCc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])s1 ZINC000000192755 431142259 /nfs/dbraw/zinc/14/22/59/431142259.db2.gz QBIXCEYRPNWZMA-GXDHUFHOSA-N -1 0 301.367 3.166 50 0 DGAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)N1CCCCC1 ZINC000000191451 431142116 /nfs/dbraw/zinc/14/21/16/431142116.db2.gz PXBSZDAXOCABCW-UHFFFAOYSA-N -1 0 302.157 3.318 50 0 DGAARM COc1cc2cccnc2c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000000338306 431167253 /nfs/dbraw/zinc/16/72/53/431167253.db2.gz VVUQMKHWBGKBNW-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000000329205 431167757 /nfs/dbraw/zinc/16/77/57/431167757.db2.gz VOCMXTZPAYRQDP-XFFZJAGNSA-N -1 0 322.242 3.146 50 0 DGAARM COC(=O)[C@@]1(C)CCC(c2ccc(OC)cc2)=C(CC(=O)[O-])C1 ZINC000000393142 431175934 /nfs/dbraw/zinc/17/59/34/431175934.db2.gz OCJVBBIRLPIJCA-SFHVURJKSA-N -1 0 318.369 3.287 50 0 DGAARM COc1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000000464837 431188189 /nfs/dbraw/zinc/18/81/89/431188189.db2.gz ZZXWPVSRFIBMCH-UHFFFAOYSA-N -1 0 315.325 3.291 50 0 DGAARM CC(=O)n1cc(-c2c([O-])c3ccccc3oc2=O)c2ccccc21 ZINC000000518134 431195138 /nfs/dbraw/zinc/19/51/38/431195138.db2.gz GTJORMGEUQRCAP-QGZVFWFLSA-N -1 0 319.316 3.187 50 0 biogenic DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000000215312 431146989 /nfs/dbraw/zinc/14/69/89/431146989.db2.gz QWANGLOVFHFFIW-DLBZAZTESA-N -1 0 313.397 3.193 50 0 DGAARM C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108657269 431148897 /nfs/dbraw/zinc/14/88/97/431148897.db2.gz QUNKEZSMBNOLRJ-UPJWGTAASA-N -1 0 307.365 3.236 50 0 DGAARM Cc1nc2ccccc2c(C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000002390826 431252274 /nfs/dbraw/zinc/25/22/74/431252274.db2.gz AXCWKSHBLLIGHT-UHFFFAOYSA-N -1 0 306.321 3.494 50 0 DGAARM O=C([O-])c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 ZINC000002537845 431253713 /nfs/dbraw/zinc/25/37/13/431253713.db2.gz NBNKTCZKXRYYLX-UHFFFAOYSA-N -1 0 304.655 3.302 50 0 DGAARM CCN(C(=O)CSc1ncccc1C(=O)[O-])C1CCCCC1 ZINC000003354201 431291207 /nfs/dbraw/zinc/29/12/07/431291207.db2.gz AZQBBJFSQBARRS-UHFFFAOYSA-N -1 0 322.430 3.053 50 0 DGAARM CCC(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000071808767 431291965 /nfs/dbraw/zinc/29/19/65/431291965.db2.gz VVPGCLZLDAUEHR-UHFFFAOYSA-N -1 0 318.373 3.009 50 0 DGAARM Cc1ccc(F)cc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006727127 431317502 /nfs/dbraw/zinc/31/75/02/431317502.db2.gz ONRIVDCJWZRPMT-FWFPMQDGSA-N -1 0 305.349 3.210 50 0 DGAARM CCc1cc2c([n-]c(=S)n(Cc3ccccn3)c2=O)s1 ZINC000006564804 431318485 /nfs/dbraw/zinc/31/84/85/431318485.db2.gz LTAJEXYKFHURLS-UHFFFAOYSA-N -1 0 303.412 3.126 50 0 DGAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000006905614 431324459 /nfs/dbraw/zinc/32/44/59/431324459.db2.gz AEWAGDYPIQGIGA-UHFFFAOYSA-N -1 0 324.789 3.099 50 0 DGAARM O=C(c1cnc2cc3c(cc2c1)OCO3)c1cc(F)ccc1[O-] ZINC000007714927 431361058 /nfs/dbraw/zinc/36/10/58/431361058.db2.gz IHFPSLBFNHEEFD-UHFFFAOYSA-N -1 0 311.268 3.039 50 0 DGAARM O=C(c1c[nH]c(-c2nc3ccccc3[nH]2)c1)c1ccccc1[O-] ZINC000007719345 431361710 /nfs/dbraw/zinc/36/17/10/431361710.db2.gz UPECVDFKNAXFLI-UHFFFAOYSA-N -1 0 303.321 3.495 50 0 DGAARM COc1ccc(C)cc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000008984063 431417543 /nfs/dbraw/zinc/41/75/43/431417543.db2.gz LXXMBCMCXCDCND-ZDUSSCGKSA-N -1 0 319.401 3.216 50 0 DGAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cccs2)cc1 ZINC000008312541 431393635 /nfs/dbraw/zinc/39/36/35/431393635.db2.gz LUKCBOLQSZTQKB-OAHLLOKOSA-N -1 0 317.410 3.321 50 0 DGAARM Cc1noc(C)c1CCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000008429433 431399780 /nfs/dbraw/zinc/39/97/80/431399780.db2.gz OBVSPSWVHUVFRV-UHFFFAOYSA-N -1 0 322.748 3.214 50 0 DGAARM Nc1nc(SCc2ccccc2)[nH]c(=O)c1-c1ccccc1 ZINC000008649062 431402880 /nfs/dbraw/zinc/40/28/80/431402880.db2.gz GNFKDFXYMIFLAX-UHFFFAOYSA-N -1 0 309.394 3.311 50 0 DGAARM Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)[O-] ZINC000009846850 431447629 /nfs/dbraw/zinc/44/76/29/431447629.db2.gz QKYZPTYJVJRMRM-GOSISDBHSA-N -1 0 320.348 3.106 50 0 DGAARM CC(C)Oc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000010715458 431467369 /nfs/dbraw/zinc/46/73/69/431467369.db2.gz ZMQMOMLVQJFICQ-LSDHHAIUSA-N -1 0 305.374 3.303 50 0 DGAARM O=C([O-])C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000011566523 431474790 /nfs/dbraw/zinc/47/47/90/431474790.db2.gz PBINQPNNMCKXLT-UHFFFAOYSA-N -1 0 323.392 3.142 50 0 DGAARM Cc1cc(C(=O)[O-])c2c(C3CC3)nn(-c3ccccc3F)c2n1 ZINC000012398003 431507512 /nfs/dbraw/zinc/50/75/12/431507512.db2.gz ZPVYWCVOJDTAJO-UHFFFAOYSA-N -1 0 311.316 3.444 50 0 DGAARM CC(=O)c1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000013466742 431558174 /nfs/dbraw/zinc/55/81/74/431558174.db2.gz DUMCEFDHSLERHS-OAHLLOKOSA-N -1 0 311.337 3.086 50 0 DGAARM Cc1ccc([C@@H]([NH2+]CCc2ccccc2)P(=O)([O-])[O-])s1 ZINC000012949517 431537102 /nfs/dbraw/zinc/53/71/02/431537102.db2.gz FKVUOZZMUQSDID-AWEZNQCLSA-N -1 0 311.343 3.065 50 0 DGAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)NCc1cccs1 ZINC000012978317 431542104 /nfs/dbraw/zinc/54/21/04/431542104.db2.gz XLSMEOORFIJBKG-JTQLQIEISA-N -1 0 321.423 3.243 50 0 DGAARM Cc1ccc(C2=NN(c3cccc(C(=O)[O-])c3)C(=O)CC2)s1 ZINC000013087001 431547318 /nfs/dbraw/zinc/54/73/18/431547318.db2.gz HNSYWAHKKSIZNS-UHFFFAOYSA-N -1 0 314.366 3.286 50 0 DGAARM Cc1ccccc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166685 431549680 /nfs/dbraw/zinc/54/96/80/431549680.db2.gz SRZWNFHOIDVNGN-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM CC(=O)c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000013253202 431552769 /nfs/dbraw/zinc/55/27/69/431552769.db2.gz FYRWPAZMBVDRBO-MRXNPFEDSA-N -1 0 311.337 3.086 50 0 DGAARM O=[P@@H]([O-])[C@@H](NCc1ccccc1)c1cccc2cccnc21 ZINC000013690017 431563378 /nfs/dbraw/zinc/56/33/78/431563378.db2.gz ULRHYSWSXIDCCO-QGZVFWFLSA-N -1 0 312.309 3.490 50 0 DGAARM CCCCSC1=NC(=O)C(Cc2ccccc2F)C([O-])=N1 ZINC000013957207 431571525 /nfs/dbraw/zinc/57/15/25/431571525.db2.gz ZUXZRPREKVQMGS-UHFFFAOYSA-N -1 0 308.378 3.098 50 0 DGAARM CCc1nnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000032833227 431797157 /nfs/dbraw/zinc/79/71/57/431797157.db2.gz GFOHGGBVAPVYRB-UHFFFAOYSA-N -1 0 318.333 3.147 50 0 DGAARM O=C([O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000033413888 431811805 /nfs/dbraw/zinc/81/18/05/431811805.db2.gz OKFLMULEFDZLKG-FUHWJXTLSA-N -1 0 309.365 3.251 50 0 DGAARM Cc1sc2nc(=O)n3nc(Cc4ccccc4)[n-]c3c2c1C ZINC000032105910 431775376 /nfs/dbraw/zinc/77/53/76/431775376.db2.gz HWLJFNIJHPNYNS-UHFFFAOYSA-N -1 0 310.382 3.252 50 0 DGAARM COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000032496802 431781048 /nfs/dbraw/zinc/78/10/48/431781048.db2.gz GMYUEBZYFFJSGU-MNOVXSKESA-N -1 0 323.776 3.263 50 0 DGAARM O=S(=O)([N-]c1cncc(Cl)c1)c1ccc(Cl)cc1 ZINC000032611420 431785777 /nfs/dbraw/zinc/78/57/77/431785777.db2.gz HIFBJTQICYYCGD-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000037742338 431849784 /nfs/dbraw/zinc/84/97/84/431849784.db2.gz KGGVXTYYRWMJCI-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000037827889 431850591 /nfs/dbraw/zinc/85/05/91/431850591.db2.gz DNCSHJZIKVHEGL-STQMWFEESA-N -1 0 321.423 3.059 50 0 DGAARM O=C([O-])CCCCCCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000084372054 431822627 /nfs/dbraw/zinc/82/26/27/431822627.db2.gz QBIZSNZOSGPPEA-UHFFFAOYSA-N -1 0 321.392 3.399 50 0 DGAARM O=S(=O)([N-]c1ccccc1)c1ccc(-c2ccno2)s1 ZINC000036359114 431838790 /nfs/dbraw/zinc/83/87/90/431838790.db2.gz CZGAHBXXLHWTAP-UHFFFAOYSA-N -1 0 306.368 3.204 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)s1 ZINC000048354242 431924499 /nfs/dbraw/zinc/92/44/99/431924499.db2.gz QCPMTWITOLCRDT-UHFFFAOYSA-N -1 0 319.411 3.043 50 0 DGAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000047085594 431905424 /nfs/dbraw/zinc/90/54/24/431905424.db2.gz JNGPJOJEKFKTBX-KOLCDFICSA-N -1 0 317.414 3.306 50 0 DGAARM COc1ccccc1CN(C(=O)c1c([O-])cccc1F)C1CC1 ZINC000055154462 431977050 /nfs/dbraw/zinc/97/70/50/431977050.db2.gz FPOXFUXRYLHOKD-UHFFFAOYSA-N -1 0 315.344 3.345 50 0 DGAARM CCn1nc(C)c(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c1C ZINC000098052754 431977175 /nfs/dbraw/zinc/97/71/75/431977175.db2.gz BNNJWBPEHAYCSI-FPLPWBNLSA-N -1 0 314.389 3.302 50 0 DGAARM COc1ccc([C@H]2CC[C@@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000098095674 431977880 /nfs/dbraw/zinc/97/78/80/431977880.db2.gz PLHOSPLRVLUAEX-KGLIPLIRSA-N -1 0 321.373 3.220 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000095961564 431928085 /nfs/dbraw/zinc/92/80/85/431928085.db2.gz JZGDNWFTMGWTLJ-HNNXBMFYSA-N -1 0 308.337 3.114 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000048652258 431929519 /nfs/dbraw/zinc/92/95/19/431929519.db2.gz CNPHEZCSICSTKQ-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM Cc1oc(CN(C)C(=O)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000095970416 431929761 /nfs/dbraw/zinc/92/97/61/431929761.db2.gz UUWFUOSPSGYNAZ-UHFFFAOYSA-N -1 0 313.309 3.305 50 0 DGAARM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(F)c1 ZINC000095992029 431932635 /nfs/dbraw/zinc/93/26/35/431932635.db2.gz TVYIQOCDISOYMA-CYBMUJFWSA-N -1 0 321.392 3.207 50 0 DGAARM Cc1csc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)C2CC2)n1 ZINC000096479858 431953064 /nfs/dbraw/zinc/95/30/64/431953064.db2.gz BIDIYXDTNANKGQ-ZDUSSCGKSA-N -1 0 316.382 3.031 50 0 DGAARM COc1ccccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000052536998 431956367 /nfs/dbraw/zinc/95/63/67/431956367.db2.gz ZXLVEUPWPBFXJP-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000097035722 431956913 /nfs/dbraw/zinc/95/69/13/431956913.db2.gz KHZNYMVVDXESQA-WBMJQRKESA-N -1 0 322.364 3.360 50 0 DGAARM Cc1cscc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000097035737 431957397 /nfs/dbraw/zinc/95/73/97/431957397.db2.gz WEWLPVRXNUABAC-BXUZGUMPSA-N -1 0 303.383 3.248 50 0 DGAARM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000097045088 431957502 /nfs/dbraw/zinc/95/75/02/431957502.db2.gz SFGMMGSORQCCJH-ZDUSSCGKSA-N -1 0 321.392 3.207 50 0 DGAARM CNc1ncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000097143517 431963543 /nfs/dbraw/zinc/96/35/43/431963543.db2.gz RAXIAJQNJMCFBO-UHFFFAOYSA-N -1 0 318.185 3.450 50 0 DGAARM O=C([O-])C1(Nc2cc(-c3ccccc3O)no2)CCCCC1 ZINC000101787957 431988535 /nfs/dbraw/zinc/98/85/35/431988535.db2.gz AXXMKLVBFJBQDQ-UHFFFAOYSA-N -1 0 302.330 3.247 50 0 DGAARM Cc1cc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)s1 ZINC000128527437 431996081 /nfs/dbraw/zinc/99/60/81/431996081.db2.gz OUSYKGYTPXCSAG-CQSZACIVSA-N -1 0 309.431 3.011 50 0 DGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=NN(C)c1ccccc1 ZINC000252617073 432384344 /nfs/dbraw/zinc/38/43/44/432384344.db2.gz KLUSYUDNDRLVCA-UHFFFAOYSA-N -1 0 306.369 3.357 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000261706346 432442800 /nfs/dbraw/zinc/44/28/00/432442800.db2.gz KMXJWCFBESRQEV-PBHICJAKSA-N -1 0 315.413 3.210 50 0 DGAARM CC1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000026444499 281684920 /nfs/dbraw/zinc/68/49/20/281684920.db2.gz GUJPAOIGOPJEBR-MNOVXSKESA-N -1 0 316.382 3.292 50 0 DGAARM CC(C)c1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1 ZINC000262327559 432481119 /nfs/dbraw/zinc/48/11/19/432481119.db2.gz DMUDCNRYBQLFNQ-UHTWSYAYSA-N -1 0 322.430 3.124 50 0 DGAARM CCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1F ZINC000262991856 432512828 /nfs/dbraw/zinc/51/28/28/432512828.db2.gz DPGZKVNNBVSETR-UHFFFAOYSA-N -1 0 308.353 3.153 50 0 DGAARM O=C([O-])Cc1cccc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 ZINC000263551073 432556172 /nfs/dbraw/zinc/55/61/72/432556172.db2.gz WMAZEFUVFGYCMI-SFHVURJKSA-N -1 0 309.365 3.446 50 0 DGAARM O=C([O-])/C=C/c1c(Br)ccc(Br)c1F ZINC000263623127 432561462 /nfs/dbraw/zinc/56/14/62/432561462.db2.gz DVXRPAMWMKUUCV-DAFODLJHSA-N -1 0 323.943 3.449 50 0 DGAARM O=C([O-])/C=C/c1c(Br)ccc(F)c1Br ZINC000263625311 432561675 /nfs/dbraw/zinc/56/16/75/432561675.db2.gz YQQGVAFOJMRNQY-DAFODLJHSA-N -1 0 323.943 3.449 50 0 DGAARM CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nc1 ZINC000263289038 432531474 /nfs/dbraw/zinc/53/14/74/432531474.db2.gz YLOXWCHBMGXSMG-CQSZACIVSA-N -1 0 318.417 3.239 50 0 DGAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1cc(F)ccc1Cl ZINC000218862453 432661270 /nfs/dbraw/zinc/66/12/70/432661270.db2.gz USRKJISQPUAGDM-JTQLQIEISA-N -1 0 301.745 3.242 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCCC[C@@H]1c1ncon1 ZINC000189632933 432805783 /nfs/dbraw/zinc/80/57/83/432805783.db2.gz FUFDWWAKHAHYSS-GFCCVEGCSA-N -1 0 321.764 3.186 50 0 DGAARM CCC[C@H](NC(=O)c1ccc(O)cc1F)[C@@H](O)c1ccccc1 ZINC000280528621 433074034 /nfs/dbraw/zinc/07/40/34/433074034.db2.gz JMECBDMPZYXBBA-IRXDYDNUSA-N -1 0 317.360 3.163 50 0 DGAARM O=C([O-])CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000299775067 433381273 /nfs/dbraw/zinc/38/12/73/433381273.db2.gz KVOPAFAPMSLFTG-HXUWFJFHSA-N -1 0 323.392 3.410 50 0 DGAARM CC(C)c1ccc(CCCC(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000426501905 433516329 /nfs/dbraw/zinc/51/63/29/433516329.db2.gz RRLJEEGFEFYKIB-UHFFFAOYSA-N -1 0 303.402 3.256 50 0 DGAARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)n1C(F)F ZINC000426445474 433497593 /nfs/dbraw/zinc/49/75/93/433497593.db2.gz HXLADZDNDNMRCG-UHFFFAOYSA-N -1 0 314.332 3.099 50 0 DGAARM COc1ccc(-c2nc3sc4c([n-]cnc4=O)c3c(C)n2)cc1 ZINC000013726358 295049179 /nfs/dbraw/zinc/04/91/79/295049179.db2.gz GCXSDDJERVYKFH-UHFFFAOYSA-N -1 0 324.365 3.324 50 0 DGAARM COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C)c1 ZINC000006698831 295160587 /nfs/dbraw/zinc/16/05/87/295160587.db2.gz KXMGBHCNYGYCMZ-TUHYSUIHSA-N -1 0 317.385 3.079 50 0 DGAARM COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C)c1 ZINC000006698834 295161270 /nfs/dbraw/zinc/16/12/70/295161270.db2.gz KXMGBHCNYGYCMZ-UQZDFYISSA-N -1 0 317.385 3.079 50 0 DGAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000097018290 298218323 /nfs/dbraw/zinc/21/83/23/298218323.db2.gz QDAHNAWFDDRWQF-XHDPSFHLSA-N -1 0 301.317 3.018 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2c1 ZINC000000368839 301927109 /nfs/dbraw/zinc/92/71/09/301927109.db2.gz CDLAWVHZBLNLRI-WDEREUQCSA-N -1 0 318.398 3.434 50 0 DGAARM Cc1ccccc1[C@H]1N[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000000408710 302226731 /nfs/dbraw/zinc/22/67/31/302226731.db2.gz ZWUFJJZEDYFKJZ-DLBZAZTESA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1cnc(NC(=O)C[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000226750850 302356596 /nfs/dbraw/zinc/35/65/96/302356596.db2.gz NLQDJOJLKBRFLC-LLVKDONJSA-N -1 0 322.361 3.178 50 0 DGAARM Cc1sc(N2CC[C@@H](c3ccccc3C)C2)nc1C(=O)[O-] ZINC000578239686 323707168 /nfs/dbraw/zinc/70/71/68/323707168.db2.gz PBABTNHVGGZHTB-GFCCVEGCSA-N -1 0 302.399 3.452 50 0 DGAARM O=C([O-])c1nc2ccccn2c1-c1ccc(F)c2cccnc12 ZINC000534584961 334291442 /nfs/dbraw/zinc/29/14/42/334291442.db2.gz KAYIWYLRCPYLDS-UHFFFAOYSA-N -1 0 307.284 3.387 50 0 DGAARM CCN(Cc1noc(C2CCC2)n1)Cc1cccc(C(=O)[O-])c1 ZINC000534676206 334323488 /nfs/dbraw/zinc/32/34/88/334323488.db2.gz CIYXGINBDIWAMH-UHFFFAOYSA-N -1 0 315.373 3.057 50 0 DGAARM COC(=O)c1occc1/C=C/c1nc2c(cccc2C(=O)[O-])o1 ZINC000328589737 534381250 /nfs/dbraw/zinc/38/12/50/534381250.db2.gz NUADFRIHWNRTJU-AATRIKPKSA-N -1 0 313.265 3.076 50 0 DGAARM COc1ccc(C)cc1Nc1nc2ccccc2nc1C(=O)[O-] ZINC000021356846 545659000 /nfs/dbraw/zinc/65/90/00/545659000.db2.gz ZLKMHLMWMDIJDS-UHFFFAOYSA-N -1 0 309.325 3.389 50 0 DGAARM Cc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])cc1 ZINC000221034132 546265472 /nfs/dbraw/zinc/26/54/72/546265472.db2.gz DXRSFPLZBXXHCL-KBPBESRZSA-N -1 0 305.374 3.173 50 0 DGAARM Cc1cc([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])ccc1F ZINC000221030770 546265859 /nfs/dbraw/zinc/26/58/59/546265859.db2.gz OJESVZBNFHJKAS-OCCSQVGLSA-N -1 0 323.364 3.312 50 0 DGAARM CC(F)(F)C(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000585091276 563781459 /nfs/dbraw/zinc/78/14/59/563781459.db2.gz OHDMDACZLYHNLG-UHFFFAOYSA-N -1 0 315.744 3.191 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccs1 ZINC000170066816 563903712 /nfs/dbraw/zinc/90/37/12/563903712.db2.gz XZHAWNBMKCIPAY-JSGCOSHPSA-N -1 0 317.410 3.492 50 0 DGAARM CCCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)[O-])ccc1-2 ZINC000002988214 655796963 /nfs/dbraw/zinc/79/69/63/655796963.db2.gz IMTTUWSDPIVPFH-UHFFFAOYSA-N -1 0 312.321 3.150 50 0 DGAARM CCCCCCOC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000002900668 656222766 /nfs/dbraw/zinc/22/27/66/656222766.db2.gz XLSFIBSYYBPNJG-ZHACJKMWSA-N -1 0 319.357 3.003 50 0 DGAARM Cc1ccc2c(c1)scc2C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000263008332 658090740 /nfs/dbraw/zinc/09/07/40/658090740.db2.gz MXOZRSXWCKRDGH-JTQLQIEISA-N -1 0 313.325 3.048 50 0 DGAARM Cc1cccc([C@H](NC(=O)[C@H](C)c2ccccc2)C(=O)[O-])c1C ZINC000263054255 658111575 /nfs/dbraw/zinc/11/15/75/658111575.db2.gz OBAUWBHHKKMZLU-PBHICJAKSA-N -1 0 311.381 3.349 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)s1 ZINC000095505757 185375377 /nfs/dbraw/zinc/37/53/77/185375377.db2.gz DGMBWVQJQLHLAN-LBPRGKRZSA-N -1 0 315.394 3.183 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000078978690 185138760 /nfs/dbraw/zinc/13/87/60/185138760.db2.gz YZOREQKSYMNSFX-LBPRGKRZSA-N -1 0 305.765 3.136 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000328593077 231234261 /nfs/dbraw/zinc/23/42/61/231234261.db2.gz UGYYLWWLKFHWRU-MJBXVCDLSA-N -1 0 321.442 3.406 50 0 DGAARM O=C([O-])/C=C\c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000096936600 185393079 /nfs/dbraw/zinc/39/30/79/185393079.db2.gz QNDGQLMPQIQRAE-XFFZJAGNSA-N -1 0 321.376 3.454 50 0 DGAARM O=S(=O)([N-]c1cc(-c2ccsc2)[nH]n1)c1cccs1 ZINC000095409842 185356891 /nfs/dbraw/zinc/35/68/91/185356891.db2.gz PIOPYSINQFKVCO-UHFFFAOYSA-N -1 0 311.413 3.001 50 0 DGAARM O=C([O-])C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000225466108 201714337 /nfs/dbraw/zinc/71/43/37/201714337.db2.gz KZQDNSJPXONJQF-QZTJIDSGSA-N -1 0 323.392 3.267 50 0 DGAARM C[C@H](CSc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000095424989 185361437 /nfs/dbraw/zinc/36/14/37/185361437.db2.gz KWIPAMYXJWLZIU-CYBMUJFWSA-N -1 0 309.431 3.176 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000097001976 185396243 /nfs/dbraw/zinc/39/62/43/185396243.db2.gz BLMREVPZJUKPNR-LBPRGKRZSA-N -1 0 301.342 3.292 50 0 DGAARM COc1ccsc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000095447436 185367846 /nfs/dbraw/zinc/36/78/46/185367846.db2.gz JHNMVVZWJMANRX-UHFFFAOYSA-N -1 0 320.395 3.106 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCCC1=CCCCC1 ZINC000064980624 432009746 /nfs/dbraw/zinc/00/97/46/432009746.db2.gz DQQPAOMYMJQZIG-UHFFFAOYSA-N -1 0 318.417 3.064 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccc(C)c(F)c1 ZINC000064980631 432009768 /nfs/dbraw/zinc/00/97/68/432009768.db2.gz QSTUUWCMGOGZKZ-UHFFFAOYSA-N -1 0 318.348 3.143 50 0 DGAARM CCC[C@](C)(NC(=O)c1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC000169967328 197762506 /nfs/dbraw/zinc/76/25/06/197762506.db2.gz UYIAJQRGVWFNDQ-KRWDZBQOSA-N -1 0 302.374 3.158 50 0 DGAARM O=C([O-])c1cnc(/C=C/c2cc3c(c(Cl)c2)OCO3)s1 ZINC000058369111 190692169 /nfs/dbraw/zinc/69/21/69/190692169.db2.gz BCSVCOUCAZDHIG-OWOJBTEDSA-N -1 0 309.730 3.394 50 0 DGAARM COc1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc1O ZINC000170631375 197796189 /nfs/dbraw/zinc/79/61/89/197796189.db2.gz WFVORCJDAHUXAJ-FNORWQNLSA-N -1 0 314.341 3.183 50 0 DGAARM COc1cc(OC)c(C(=O)CCC(=O)[O-])cc1CC1CCCC1 ZINC000071770723 191030429 /nfs/dbraw/zinc/03/04/29/191030429.db2.gz YHSQHAPTLNQYRU-UHFFFAOYSA-N -1 0 320.385 3.484 50 0 DGAARM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)nc1 ZINC000072286695 191105957 /nfs/dbraw/zinc/10/59/57/191105957.db2.gz YGGWMODTIZHIDC-UHFFFAOYSA-N -1 0 320.848 3.319 50 0 DGAARM CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000000009689 180669337 /nfs/dbraw/zinc/66/93/37/180669337.db2.gz OELFLUMRDSZNSF-OFLPRAFFSA-N -1 0 317.429 3.261 50 0 fda DGAARM CCOc1ccc(-c2ccnc(NCC3CC3)n2)cc1C(=O)[O-] ZINC000072479797 191181655 /nfs/dbraw/zinc/18/16/55/191181655.db2.gz IMYJQLQLDIYEDU-UHFFFAOYSA-N -1 0 313.357 3.062 50 0 DGAARM COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)[O-])c1 ZINC000003491492 181026537 /nfs/dbraw/zinc/02/65/37/181026537.db2.gz NKPCQTXTFOCIHP-UHFFFAOYSA-N -1 0 308.337 3.305 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cc(N)ccc2Cl)c(C)c1 ZINC000003885463 181052216 /nfs/dbraw/zinc/05/22/16/181052216.db2.gz SOWYLSRVTBKKJE-UHFFFAOYSA-N -1 0 310.806 3.340 50 0 DGAARM Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000003885383 181052359 /nfs/dbraw/zinc/05/23/59/181052359.db2.gz NEACNGHHQWFDRG-UHFFFAOYSA-N -1 0 317.197 3.376 50 0 DGAARM O=C([O-])Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000003887015 181052940 /nfs/dbraw/zinc/05/29/40/181052940.db2.gz FGGDTCLNASPOLX-UHFFFAOYSA-N -1 0 316.744 3.353 50 0 DGAARM Cc1coc2c1cc1c(C)c(CCC(=O)[O-])c(=O)oc1c2C ZINC000004041828 181065784 /nfs/dbraw/zinc/06/57/84/181065784.db2.gz DBZRJVQWIHCSEZ-UHFFFAOYSA-N -1 0 300.310 3.482 50 0 biogenic DGAARM O=C([O-])C[C@H](c1ccc(F)cc1F)N1Cc2ccccc2C1=O ZINC000004051295 181066632 /nfs/dbraw/zinc/06/66/32/181066632.db2.gz XZQQAOJZOYGXFF-OAHLLOKOSA-N -1 0 317.291 3.137 50 0 DGAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccco2)C(=O)[O-])cc1 ZINC000004526240 181120327 /nfs/dbraw/zinc/12/03/27/181120327.db2.gz VJLTXWZVMUZJJG-PTNGSMBKSA-N -1 0 313.353 3.433 50 0 DGAARM COc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1 ZINC000004651539 181131988 /nfs/dbraw/zinc/13/19/88/181131988.db2.gz WOALXUBOIUFZFN-GJZGRUSLSA-N -1 0 303.358 3.081 50 0 DGAARM COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000004680462 181136281 /nfs/dbraw/zinc/13/62/81/181136281.db2.gz RUVTZYNNGOPVNH-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM CCCOc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004811295 181154478 /nfs/dbraw/zinc/15/44/78/181154478.db2.gz OKBAIJIGUUHBPX-OLZOCXBDSA-N -1 0 303.358 3.081 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000004809459 181154935 /nfs/dbraw/zinc/15/49/35/181154935.db2.gz ZOIGJFDSQRJDCN-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM O=C([O-])C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012504732 304042434 /nfs/dbraw/zinc/04/24/34/304042434.db2.gz GBLCZMUANRHJIZ-UHFFFAOYSA-N -1 0 308.687 3.055 50 0 DGAARM COc1ccc([C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)cc1 ZINC000005005905 181189150 /nfs/dbraw/zinc/18/91/50/181189150.db2.gz YAHBJAWHPVROGG-CQSZACIVSA-N -1 0 309.287 3.463 50 0 DGAARM Cc1cccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)O2)c1 ZINC000005102869 181203656 /nfs/dbraw/zinc/20/36/56/181203656.db2.gz AFUMGYOUACVIOB-XNTDXEJSSA-N -1 0 307.305 3.038 50 0 DGAARM CC(C)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005156996 181212177 /nfs/dbraw/zinc/21/21/77/181212177.db2.gz IESBGFNMSPMHCI-JTQLQIEISA-N -1 0 305.161 3.224 50 0 DGAARM O=C([O-])CCCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000414622979 304049840 /nfs/dbraw/zinc/04/98/40/304049840.db2.gz HCNRLKKLRDNIAB-MRXNPFEDSA-N -1 0 318.417 3.048 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000005650127 181267822 /nfs/dbraw/zinc/26/78/22/181267822.db2.gz LKUCNRLEDYHFMU-AWEZNQCLSA-N -1 0 303.745 3.286 50 0 DGAARM CC[C@@H](C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])on1 ZINC000236888718 202054137 /nfs/dbraw/zinc/05/41/37/202054137.db2.gz IZNZQLMMMUOWPG-NEPJUHHUSA-N -1 0 308.378 3.048 50 0 DGAARM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1 ZINC000096400922 304057187 /nfs/dbraw/zinc/05/71/87/304057187.db2.gz UMHBLXQTPXTXLV-WTKPLQERSA-N -1 0 312.321 3.142 50 0 DGAARM COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237231299 202198883 /nfs/dbraw/zinc/19/88/83/202198883.db2.gz SWUBSIMNKITSML-DZGCQCFKSA-N -1 0 319.401 3.045 50 0 DGAARM Cc1cc(Br)cc(Br)c1NCC(=O)[O-] ZINC000005934801 181297759 /nfs/dbraw/zinc/29/77/59/181297759.db2.gz YWDGMOGGARJCTG-UHFFFAOYSA-N -1 0 322.984 3.017 50 0 DGAARM Cc1cc(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)s1 ZINC000237605209 202301311 /nfs/dbraw/zinc/30/13/11/202301311.db2.gz STCXYXUNGUVBCY-INIZCTEOSA-N -1 0 309.431 3.011 50 0 DGAARM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1CCc1ccccc1 ZINC000237636027 202312850 /nfs/dbraw/zinc/31/28/50/202312850.db2.gz GMGAEGXEKLKAPW-CQSZACIVSA-N -1 0 311.381 3.065 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237637072 202312902 /nfs/dbraw/zinc/31/29/02/202312902.db2.gz XHVNIKYKQJUIMJ-HYVNUMGLSA-N -1 0 315.413 3.344 50 0 DGAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000238083715 202437850 /nfs/dbraw/zinc/43/78/50/202437850.db2.gz WEMSVDWKNIKHHG-GFCCVEGCSA-N -1 0 319.744 3.289 50 0 DGAARM O=c1nc(CSc2nc3ccccc3o2)[n-]c2ccsc21 ZINC000006039084 181307485 /nfs/dbraw/zinc/30/74/85/181307485.db2.gz UTGYPUBLSBDOAJ-UHFFFAOYSA-N -1 0 315.379 3.418 50 0 DGAARM CCc1cccc(CC)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006125527 181314429 /nfs/dbraw/zinc/31/44/29/181314429.db2.gz OYCVZLJRWLWZNI-CABCVRRESA-N -1 0 301.386 3.417 50 0 DGAARM CCc1cccc(CC)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006125537 181314723 /nfs/dbraw/zinc/31/47/23/181314723.db2.gz OYCVZLJRWLWZNI-LSDHHAIUSA-N -1 0 301.386 3.417 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)c1ccc(Br)cc1 ZINC000000193383 304100203 /nfs/dbraw/zinc/10/02/03/304100203.db2.gz YKXCZGZEZFUISQ-VXGBXAGGSA-N -1 0 309.159 3.299 50 0 DGAARM O=C([O-])[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000002548577 304111180 /nfs/dbraw/zinc/11/11/80/304111180.db2.gz FMUGSQNBMMNPKK-SSDOTTSWSA-N -1 0 308.687 3.055 50 0 DGAARM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cccs1 ZINC000195541851 201403222 /nfs/dbraw/zinc/40/32/22/201403222.db2.gz MIVMXAPBJSWPRQ-NHYWBVRUSA-N -1 0 315.394 3.062 50 0 DGAARM Cc1cc(N[C@H](C)c2cnn(C)c2)nc(-c2ccccc2[O-])n1 ZINC000091426586 193053860 /nfs/dbraw/zinc/05/38/60/193053860.db2.gz OUXMMLKSSCMIDE-GFCCVEGCSA-N -1 0 309.373 3.064 50 0 DGAARM Cc1cc(NCCNc2cccnc2)nc(-c2ccccc2[O-])n1 ZINC000091602639 193078666 /nfs/dbraw/zinc/07/86/66/193078666.db2.gz MUKLVJUQEMCMRV-UHFFFAOYSA-N -1 0 321.384 3.077 50 0 DGAARM Cc1cccc(C2(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000262592791 203343147 /nfs/dbraw/zinc/34/31/47/203343147.db2.gz IFSWRIHQZDLZRK-UHFFFAOYSA-N -1 0 309.365 3.041 50 0 DGAARM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000262727144 203394064 /nfs/dbraw/zinc/39/40/64/203394064.db2.gz AIXCCSLGZYHUEN-SHTZXODSSA-N -1 0 301.386 3.069 50 0 DGAARM CC(C)c1occc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263084236 203435328 /nfs/dbraw/zinc/43/53/28/203435328.db2.gz HGGUCZKUGJUZTO-UHFFFAOYSA-N -1 0 301.342 3.373 50 0 DGAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000263157602 203441306 /nfs/dbraw/zinc/44/13/06/203441306.db2.gz OGZPWCJMMYUYKB-LBPRGKRZSA-N -1 0 323.801 3.173 50 0 DGAARM Cc1scc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000263525100 203476341 /nfs/dbraw/zinc/47/63/41/203476341.db2.gz JLCJMIPTONSYMN-QGZVFWFLSA-N -1 0 317.410 3.137 50 0 DGAARM CCS[C@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000095970417 193466867 /nfs/dbraw/zinc/46/68/67/193466867.db2.gz BLHWGMQMYAWFPC-ZDUSSCGKSA-N -1 0 313.419 3.022 50 0 DGAARM COc1ccccc1-c1cc(C(=O)[O-])n2c(nc3ccccc32)n1 ZINC000008425001 181556561 /nfs/dbraw/zinc/55/65/61/181556561.db2.gz ICEBUPOEUWDIGS-UHFFFAOYSA-N -1 0 319.320 3.256 50 0 DGAARM Cc1ccc(C[C@@H](CC(=O)[O-])C(=O)NC2CCCCC2)cc1 ZINC000013153946 181834814 /nfs/dbraw/zinc/83/48/14/181834814.db2.gz CZOJDEWFYMBQQZ-HNNXBMFYSA-N -1 0 303.402 3.077 50 0 DGAARM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1F ZINC000013389972 181847791 /nfs/dbraw/zinc/84/77/91/181847791.db2.gz GFKDJKUYDJIMMI-LBPRGKRZSA-N -1 0 307.346 3.141 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000013256794 181839784 /nfs/dbraw/zinc/83/97/84/181839784.db2.gz ZIJGECADEICSFF-GFCCVEGCSA-N -1 0 309.774 3.347 50 0 DGAARM COc1ccc(CNc2ccc(C(=O)[O-])cc2C)c(OC)c1 ZINC000016577260 182049637 /nfs/dbraw/zinc/04/96/37/182049637.db2.gz ASRSYLHKPGIRRE-UHFFFAOYSA-N -1 0 301.342 3.323 50 0 DGAARM Cc1cc(=O)n2nc(SCc3ccccc3Cl)[n-]c2n1 ZINC000018029793 182089478 /nfs/dbraw/zinc/08/94/78/182089478.db2.gz NLAXAKIKQMGHGH-UHFFFAOYSA-N -1 0 306.778 3.084 50 0 DGAARM COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000018193958 182098043 /nfs/dbraw/zinc/09/80/43/182098043.db2.gz KPZXXVSRFSSLDM-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000000475302 304175865 /nfs/dbraw/zinc/17/58/65/304175865.db2.gz VVSCQFYWYRWFDU-UWVGGRQHSA-N -1 0 313.275 3.311 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000006668203 304181358 /nfs/dbraw/zinc/18/13/58/304181358.db2.gz WBBPHNRIFMXEQZ-CABCVRRESA-N -1 0 301.386 3.395 50 0 DGAARM CC(C)(C)OC(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000039395274 183018197 /nfs/dbraw/zinc/01/81/97/183018197.db2.gz CKEIMCIEKVQSSN-NSHDSACASA-N -1 0 313.781 3.423 50 0 DGAARM O=C([O-])C1CCC(NC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000040545055 183098959 /nfs/dbraw/zinc/09/89/59/183098959.db2.gz CBKOUROSSJEGDN-UHFFFAOYSA-N -1 0 314.744 3.244 50 0 DGAARM COc1ccc([C@H](CC(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000041529006 183197726 /nfs/dbraw/zinc/19/77/26/183197726.db2.gz LUHJUDQOUWKJSU-CQSZACIVSA-N -1 0 304.317 3.450 50 0 DGAARM COc1ccc(C(=O)CCCCCCC(=O)[O-])c(OC)c1OC ZINC000043214199 183345210 /nfs/dbraw/zinc/34/52/10/183345210.db2.gz FFQKJGFCMDANHA-UHFFFAOYSA-N -1 0 324.373 3.320 50 0 DGAARM O=C([O-])c1[nH]c2ccc(Br)cc2c1Br ZINC000012336778 304216037 /nfs/dbraw/zinc/21/60/37/304216037.db2.gz ATMGPBPNXBMNBK-UHFFFAOYSA-N -1 0 318.952 3.391 50 0 DGAARM O=C([O-])c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000006724966 304218020 /nfs/dbraw/zinc/21/80/20/304218020.db2.gz DCDIZGXMRFKFFU-UHFFFAOYSA-N -1 0 310.353 3.222 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 ZINC000050921874 183808018 /nfs/dbraw/zinc/80/80/18/183808018.db2.gz ONFVHMIEBDVROP-SECBINFHSA-N -1 0 301.795 3.261 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c(C(=O)[O-])c1 ZINC000058357069 184108154 /nfs/dbraw/zinc/10/81/54/184108154.db2.gz FYOHKJUEAHCUOT-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)c1ccoc1 ZINC000059250634 184135697 /nfs/dbraw/zinc/13/56/97/184135697.db2.gz PMQAERDIHZIIHT-UHFFFAOYSA-N -1 0 321.398 3.004 50 0 DGAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc[nH]n2)cs1 ZINC000065112313 184311038 /nfs/dbraw/zinc/31/10/38/184311038.db2.gz KSPNSDSKSGPGLB-UHFFFAOYSA-N -1 0 319.411 3.247 50 0 DGAARM Cc1[nH]c2ccccc2c(=O)c1C[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000065365192 184328878 /nfs/dbraw/zinc/32/88/78/184328878.db2.gz SJFMHUZMJHKHAT-OAHLLOKOSA-N -1 0 321.376 3.323 50 0 DGAARM C[C@H](Sc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC000000084875 299581044 /nfs/dbraw/zinc/58/10/44/299581044.db2.gz FXFLKQRNKXZSGQ-SFYZADRCSA-N -1 0 308.428 3.381 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)c2sccc2C2CC2)c1 ZINC000344408003 254267821 /nfs/dbraw/zinc/26/78/21/254267821.db2.gz KZXYHPJSJPIACN-UHFFFAOYSA-N -1 0 301.367 3.254 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000004686704 257267659 /nfs/dbraw/zinc/26/76/59/257267659.db2.gz UAJCGCIFABRIRL-LLVKDONJSA-N -1 0 309.774 3.347 50 0 DGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000000211059 292018512 /nfs/dbraw/zinc/01/85/12/292018512.db2.gz PRAXOMIPYLOGDK-UHFFFAOYSA-N -1 0 318.398 3.351 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)Cc1cccs1)c1ccc(Cl)cc1 ZINC000004686091 400084775 /nfs/dbraw/zinc/08/47/75/400084775.db2.gz GJXHSFHWGIHPSF-CYBMUJFWSA-N -1 0 323.801 3.276 50 0 DGAARM Cc1cccc2c3nnc(NN=Cc4ccccc4)[n-]c-3nc21 ZINC000004322744 400085074 /nfs/dbraw/zinc/08/50/74/400085074.db2.gz GPJPAODGHHGKAV-UHFFFAOYSA-N -1 0 302.341 3.261 50 0 DGAARM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)o1 ZINC000097231184 400283033 /nfs/dbraw/zinc/28/30/33/400283033.db2.gz SRHNVIRLWJSKFC-INIZCTEOSA-N -1 0 315.369 3.161 50 0 DGAARM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nccs1 ZINC000073439927 400450157 /nfs/dbraw/zinc/45/01/57/400450157.db2.gz OUTHXFZEMYFVKP-SSDOTTSWSA-N -1 0 305.384 3.438 50 0 DGAARM Cc1nc2c(s1)[C@H](N(C)C(=O)c1c([O-])cccc1F)CCC2 ZINC000124080369 400473290 /nfs/dbraw/zinc/47/32/90/400473290.db2.gz ZMEMJJGYABOJKP-GFCCVEGCSA-N -1 0 320.389 3.446 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(F)cc2)[C@H]1C(=O)[O-] ZINC000209933102 400943550 /nfs/dbraw/zinc/94/35/50/400943550.db2.gz VYMSTISZOFZGCY-JSGCOSHPSA-N -1 0 323.364 3.078 50 0 DGAARM O=C([O-])Cc1csc(NC(=O)CC/C=C\c2ccccc2)n1 ZINC000606443729 400912835 /nfs/dbraw/zinc/91/28/35/400912835.db2.gz ZERUUJSGCRYGJP-YWEYNIOJSA-N -1 0 316.382 3.202 50 0 DGAARM Cn1ncc(C2CC2)c1/C=C\c1ncc(/C=C\C(=O)[O-])s1 ZINC000606445017 400913237 /nfs/dbraw/zinc/91/32/37/400913237.db2.gz IKJHWZBITXHTLO-RNPBPNGMSA-N -1 0 301.371 3.022 50 0 DGAARM [O-]c1ccc(Br)cc1-c1nc(C(F)(F)F)no1 ZINC000236623743 400977560 /nfs/dbraw/zinc/97/75/60/400977560.db2.gz PAUFYRBVGMXFEV-UHFFFAOYSA-N -1 0 309.041 3.224 50 0 DGAARM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000630294012 401237038 /nfs/dbraw/zinc/23/70/38/401237038.db2.gz DXTXOLQGPPWEPB-DVOMOZLQSA-N -1 0 324.380 3.187 50 0 DGAARM C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC000005696347 296765818 /nfs/dbraw/zinc/76/58/18/296765818.db2.gz GEQXSECHWINMQT-MXWKQRLJSA-N -1 0 322.430 3.097 50 0 DGAARM O=C([O-])c1ccnc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000263392693 165860420 /nfs/dbraw/zinc/86/04/20/165860420.db2.gz GTHQEOOUOFENMP-KRWDZBQOSA-N -1 0 322.364 3.072 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3cccc(F)c3)c12 ZINC000299801871 229463322 /nfs/dbraw/zinc/46/33/22/229463322.db2.gz YQSMPMUWMSJAQE-UHFFFAOYSA-N -1 0 317.345 3.449 50 0 DGAARM CC(C)(C)NC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095382001 278361324 /nfs/dbraw/zinc/36/13/24/278361324.db2.gz RDRQEFBDOASULO-AWEZNQCLSA-N -1 0 304.390 3.072 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(CC(=O)[O-])(c2ccccc2)CC1 ZINC000040435109 278381600 /nfs/dbraw/zinc/38/16/00/278381600.db2.gz PHZLCYDLZUDCEK-UHFFFAOYSA-N -1 0 319.401 3.430 50 0 DGAARM COC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1O ZINC000000087140 431120953 /nfs/dbraw/zinc/12/09/53/431120953.db2.gz HBPQQCMTQJGZAE-UHFFFAOYSA-N -1 0 311.293 3.177 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000101520 431125357 /nfs/dbraw/zinc/12/53/57/431125357.db2.gz GNBDEXFDISQPIO-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000000148369 431133520 /nfs/dbraw/zinc/13/35/20/431133520.db2.gz SYKRYISDKRZGRI-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM O=C([O-])[C@H](NC(=O)OCc1ccccc1)c1ccc(Cl)cc1 ZINC000000168474 431137386 /nfs/dbraw/zinc/13/73/86/431137386.db2.gz PLEBVGZLNNCTET-CQSZACIVSA-N -1 0 319.744 3.392 50 0 DGAARM CCc1ccnc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000000151894 431137672 /nfs/dbraw/zinc/13/76/72/431137672.db2.gz MNZPUHJHUUYPAS-UHFFFAOYSA-N -1 0 310.806 3.407 50 0 DGAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)NCc1ccccc1 ZINC000000314304 431164468 /nfs/dbraw/zinc/16/44/68/431164468.db2.gz PHTGBGXBBKUBGF-YOEHRIQHSA-N -1 0 311.381 3.197 50 0 DGAARM Cc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000000347108 431167181 /nfs/dbraw/zinc/16/71/81/431167181.db2.gz HSZFGKYFERPXMG-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000000347112 431169043 /nfs/dbraw/zinc/16/90/43/431169043.db2.gz GMMLBUJEIHGZFK-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000000347110 431169246 /nfs/dbraw/zinc/16/92/46/431169246.db2.gz XZWIFWURAWWQHG-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM O=C([O-])Cc1csc(Nc2ccc(Br)cc2)n1 ZINC000000372809 431172419 /nfs/dbraw/zinc/17/24/19/431172419.db2.gz DKLIXMRUKITXCT-UHFFFAOYSA-N -1 0 313.176 3.276 50 0 DGAARM O=C([O-])c1ccc(NC(=O)CC(=O)c2ccccc2Cl)cc1 ZINC000000395021 431175340 /nfs/dbraw/zinc/17/53/40/431175340.db2.gz VQHVKYVLXBZMJL-UHFFFAOYSA-N -1 0 317.728 3.250 50 0 DGAARM CCCc1ccc(Oc2nnnn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000000386405 431175447 /nfs/dbraw/zinc/17/54/47/431175447.db2.gz XXUDQJARJPHEMA-UHFFFAOYSA-N -1 0 324.340 3.105 50 0 DGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000000384723 431176038 /nfs/dbraw/zinc/17/60/38/431176038.db2.gz DILCZAVSFKJIKH-UHFFFAOYSA-N -1 0 309.362 3.334 50 0 DGAARM CCc1cc2c(cc1[O-])occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000407268 431176441 /nfs/dbraw/zinc/17/64/41/431176441.db2.gz DMJLAILOKGWWJS-UHFFFAOYSA-N -1 0 324.332 3.499 50 0 biogenic DGAARM Cc1ccc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2c1 ZINC000000441652 431182633 /nfs/dbraw/zinc/18/26/33/431182633.db2.gz BGHAFOSGELEWAZ-QWRGUYRKSA-N -1 0 316.382 3.210 50 0 DGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000000528728 431197168 /nfs/dbraw/zinc/19/71/68/431197168.db2.gz XOPCFHWIZXGNSU-UHFFFAOYSA-N -1 0 305.399 3.367 50 0 DGAARM CCc1ccccc1NC(=O)CSc1ncccc1C(=O)[O-] ZINC000000217930 431146823 /nfs/dbraw/zinc/14/68/23/431146823.db2.gz ZMDCYUXVHWESOA-UHFFFAOYSA-N -1 0 316.382 3.073 50 0 DGAARM COc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000261209 431157000 /nfs/dbraw/zinc/15/70/00/431157000.db2.gz QPYTVMVVJQQGBR-CXAGYDPISA-N -1 0 305.374 3.161 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000000286472 431159703 /nfs/dbraw/zinc/15/97/03/431159703.db2.gz NDPSYYITQRRGHS-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccncc2)c1Cl ZINC000000863573 431210591 /nfs/dbraw/zinc/21/05/91/431210591.db2.gz RMDATIZJEHOZIH-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM O=C(N=C([O-])C(F)(F)F)Nc1nc(-c2ccccc2)cs1 ZINC000001470910 431228743 /nfs/dbraw/zinc/22/87/43/431228743.db2.gz WCYMGHSTXZQWHA-UHFFFAOYSA-N -1 0 315.276 3.021 50 0 DGAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000002585626 431256896 /nfs/dbraw/zinc/25/68/96/431256896.db2.gz NNEZAROGWHIRJI-LBPRGKRZSA-N -1 0 311.403 3.449 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccc2cccnc21 ZINC000002602302 431257101 /nfs/dbraw/zinc/25/71/01/431257101.db2.gz DCTVMDNQAKKWDI-UHFFFAOYSA-N -1 0 302.330 3.175 50 0 DGAARM CCCC[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)[O-])N1C(C)=O ZINC000003173785 431283045 /nfs/dbraw/zinc/28/30/45/431283045.db2.gz SCCFPAMTAIFDLY-JKSUJKDBSA-N -1 0 314.385 3.257 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1 ZINC000003154306 431284418 /nfs/dbraw/zinc/28/44/18/431284418.db2.gz KRIMYAQVPCEASA-UHFFFAOYSA-N -1 0 313.325 3.397 50 0 DGAARM O=C([O-])c1ccnc(-c2ccnc(-c3c[nH]c4ccccc43)n2)c1 ZINC000071615221 431284735 /nfs/dbraw/zinc/28/47/35/431284735.db2.gz SEACOJWMAZIIOL-UHFFFAOYSA-N -1 0 316.320 3.385 50 0 DGAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)c2ccccc2n1 ZINC000071796240 431289686 /nfs/dbraw/zinc/28/96/86/431289686.db2.gz WHWRAPBIDGFBDE-UHFFFAOYSA-N -1 0 312.369 3.061 50 0 DGAARM Cc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)O2)cc1 ZINC000003321889 431290536 /nfs/dbraw/zinc/29/05/36/431290536.db2.gz IJBDCUUMAVACQJ-XNTDXEJSSA-N -1 0 307.305 3.038 50 0 DGAARM CCc1nc2cc(NC(=O)CC3(C(=O)[O-])CCCC3)ccc2o1 ZINC000071808756 431293401 /nfs/dbraw/zinc/29/34/01/431293401.db2.gz DFLGVRCPXGVUTD-UHFFFAOYSA-N -1 0 316.357 3.364 50 0 DGAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000002740251 431266832 /nfs/dbraw/zinc/26/68/32/431266832.db2.gz ROYDZIKUNGAOQP-MFKMUULPSA-N -1 0 309.774 3.388 50 0 DGAARM Cc1cccc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000002865401 431273283 /nfs/dbraw/zinc/27/32/83/431273283.db2.gz OFBPEIPCOXJGEZ-UHFFFAOYSA-N -1 0 304.396 3.406 50 0 DGAARM CC1(C)[C@H](C(=O)Nc2nc(-c3cccs3)cs2)[C@@H]1C(=O)[O-] ZINC000071288152 431275762 /nfs/dbraw/zinc/27/57/62/431275762.db2.gz UHLOOCBRNCBVDR-VHSXEESVSA-N -1 0 322.411 3.167 50 0 DGAARM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccccc1Cl ZINC000007050462 431329002 /nfs/dbraw/zinc/32/90/02/431329002.db2.gz HYXRGIDSSXHNOO-UHFFFAOYSA-N -1 0 307.762 3.017 50 0 DGAARM Cc1ccc(NC(=O)c2ccc(Br)o2)cc1C(=O)[O-] ZINC000008907865 431417800 /nfs/dbraw/zinc/41/78/00/431417800.db2.gz XWXYNPSFFGWJCY-UHFFFAOYSA-N -1 0 324.130 3.301 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc1 ZINC000008184994 431384647 /nfs/dbraw/zinc/38/46/47/431384647.db2.gz BFZPZQFFXRHTQE-UHFFFAOYSA-N -1 0 316.304 3.210 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000008428329 431400517 /nfs/dbraw/zinc/40/05/17/431400517.db2.gz MTHVXXMMKMCAQD-UHFFFAOYSA-N -1 0 304.415 3.425 50 0 DGAARM CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000008714739 431408075 /nfs/dbraw/zinc/40/80/75/431408075.db2.gz KEJZLIWGFFHLAX-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC000009550261 431440205 /nfs/dbraw/zinc/44/02/05/431440205.db2.gz XMMOZBATOLDMPO-AWEZNQCLSA-N -1 0 309.431 3.246 50 0 DGAARM CCc1ccc(S(=O)(=O)[N-]c2ccnc3ccncc23)s1 ZINC000075109684 431455402 /nfs/dbraw/zinc/45/54/02/431455402.db2.gz AAZOXJBQRMQOPV-UHFFFAOYSA-N -1 0 319.411 3.055 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000010301899 431461820 /nfs/dbraw/zinc/46/18/20/431461820.db2.gz KHEVAOYDEVHTEI-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1 ZINC000009286978 431428495 /nfs/dbraw/zinc/42/84/95/431428495.db2.gz IYNGNHLSOYMSBN-UHFFFAOYSA-N -1 0 315.354 3.271 50 0 DGAARM CC(C)Cc1ccc([C@H](C)NC(=O)CSCCC(=O)[O-])cc1 ZINC000012743425 431526667 /nfs/dbraw/zinc/52/66/67/431526667.db2.gz KIXLMDYXJPPNFR-ZDUSSCGKSA-N -1 0 323.458 3.270 50 0 DGAARM COc1ccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1F ZINC000013469407 431558205 /nfs/dbraw/zinc/55/82/05/431558205.db2.gz CCSFEQPUELHBSJ-NSHDSACASA-N -1 0 323.364 3.047 50 0 DGAARM C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)P(=O)([O-])[O-])c1ccccc1 ZINC000012998750 431540444 /nfs/dbraw/zinc/54/04/44/431540444.db2.gz BYMKZRBMSWTANU-BLLLJJGKSA-N -1 0 323.304 3.395 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000013302895 431551876 /nfs/dbraw/zinc/55/18/76/431551876.db2.gz BPQJLEMMBNSCMW-UHFFFAOYSA-N -1 0 307.733 3.023 50 0 DGAARM C[C@](CC(=O)Nc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000013251094 431552138 /nfs/dbraw/zinc/55/21/38/431552138.db2.gz HAEWZNDVPUZHRN-QGZVFWFLSA-N -1 0 301.317 3.197 50 0 DGAARM CCOc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000013389111 431555287 /nfs/dbraw/zinc/55/52/87/431555287.db2.gz KUOYLONFHZHIMU-GFCCVEGCSA-N -1 0 319.382 3.093 50 0 DGAARM CC[C@H]1CCCCN1c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000818815 288201789 /nfs/dbraw/zinc/20/17/89/288201789.db2.gz DMVITXLWUZPSOL-AWEZNQCLSA-N -1 0 304.390 3.259 50 0 DGAARM CC(C)(C)OC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000025758882 431661886 /nfs/dbraw/zinc/66/18/86/431661886.db2.gz YNCXVASJISKFKT-UHFFFAOYSA-N -1 0 307.371 3.053 50 0 DGAARM COc1ccccc1-n1nc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000025761857 431663254 /nfs/dbraw/zinc/66/32/54/431663254.db2.gz ZWYRDTGGBSVUOK-UHFFFAOYSA-N -1 0 312.300 3.385 50 0 DGAARM Cc1nn(C(C)C)c(C)c1NC(=O)c1c([O-])cc(F)cc1F ZINC000081708090 431798793 /nfs/dbraw/zinc/79/87/93/431798793.db2.gz UMRVGFNWSMZLLC-UHFFFAOYSA-N -1 0 309.316 3.317 50 0 DGAARM O=C([O-])c1cccc(CSc2ccc3c(c2)OCCO3)c1 ZINC000037414935 431846757 /nfs/dbraw/zinc/84/67/57/431846757.db2.gz BBDHCCMBNQYSAI-UHFFFAOYSA-N -1 0 302.351 3.448 50 0 DGAARM CCc1cc2c(nc(CC)nc2N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000041090133 431858219 /nfs/dbraw/zinc/85/82/19/431858219.db2.gz UOLNKPOLAGBUJT-SNVBAGLBSA-N -1 0 319.430 3.117 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000035571890 431832715 /nfs/dbraw/zinc/83/27/15/431832715.db2.gz LGSBBCGSNLYKOI-CYBMUJFWSA-N -1 0 305.374 3.184 50 0 DGAARM Cc1nn2c(nc(-c3ccc(F)cc3)cc2C(=O)[O-])c1Cl ZINC000036615719 431839395 /nfs/dbraw/zinc/83/93/95/431839395.db2.gz WRIJVFYEQYWEKH-UHFFFAOYSA-N -1 0 305.696 3.195 50 0 DGAARM O=C([O-])CCCCCCNC(=O)c1cc(-c2ccccc2)on1 ZINC000095350087 431922629 /nfs/dbraw/zinc/92/26/29/431922629.db2.gz PUWYYKGRLATKLH-UHFFFAOYSA-N -1 0 316.357 3.107 50 0 DGAARM O=C([O-])c1cc(NC(=O)COCc2ccccc2)ccc1Cl ZINC000089836676 431881939 /nfs/dbraw/zinc/88/19/39/431881939.db2.gz ROSGUBKZIPXQSZ-UHFFFAOYSA-N -1 0 319.744 3.194 50 0 DGAARM CCN(Cc1ccccc1)c1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000046053304 431893172 /nfs/dbraw/zinc/89/31/72/431893172.db2.gz WZIFFPXDNNYKEM-UHFFFAOYSA-N -1 0 312.369 3.370 50 0 DGAARM O=C(Nc1cccc(F)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047074958 431905197 /nfs/dbraw/zinc/90/51/97/431905197.db2.gz RMEOPTRSVWSPTA-UHFFFAOYSA-N -1 0 315.329 3.389 50 0 DGAARM CCc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000095965568 431928951 /nfs/dbraw/zinc/92/89/51/431928951.db2.gz AGMOPQUSAJHOAY-UHFFFAOYSA-N -1 0 301.342 3.457 50 0 DGAARM Cc1csc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)C2CC2)n1 ZINC000095976725 431930900 /nfs/dbraw/zinc/93/09/00/431930900.db2.gz VCHVXHIWYJBJHX-CYBMUJFWSA-N -1 0 316.382 3.031 50 0 DGAARM CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ncc(C)s1 ZINC000095976717 431931175 /nfs/dbraw/zinc/93/11/75/431931175.db2.gz FZBUFIKUDMNQET-LBPRGKRZSA-N -1 0 304.371 3.031 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccc1F)c1cccs1 ZINC000096032408 431934586 /nfs/dbraw/zinc/93/45/86/431934586.db2.gz WQOPBENYWXMVLE-MEJMFZKBSA-N -1 0 319.357 3.233 50 0 DGAARM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccccc2Cl)cn1 ZINC000049419621 431940168 /nfs/dbraw/zinc/94/01/68/431940168.db2.gz DQNYVXUFACWDKG-UHFFFAOYSA-N -1 0 313.810 3.092 50 0 DGAARM O=C([O-])CC/C(=C\c1csnn1)c1nc2ccccc2o1 ZINC000096295924 431943992 /nfs/dbraw/zinc/94/39/92/431943992.db2.gz ABEXJOPUTKYVBU-VQHVLOKHSA-N -1 0 301.327 3.085 50 0 DGAARM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1OC ZINC000096403088 431945439 /nfs/dbraw/zinc/94/54/39/431945439.db2.gz OLYUYUJVNSXGGP-UITAMQMPSA-N -1 0 312.321 3.298 50 0 DGAARM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(C)s1 ZINC000096479824 431952919 /nfs/dbraw/zinc/95/29/19/431952919.db2.gz GOKTZAFKXZIKNI-GFCCVEGCSA-N -1 0 304.371 3.031 50 0 DGAARM Cc1cccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1Cl ZINC000096492805 431953868 /nfs/dbraw/zinc/95/38/68/431953868.db2.gz IMOUHVSMDCEKHM-UHFFFAOYSA-N -1 0 323.805 3.117 50 0 DGAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000097018270 431956125 /nfs/dbraw/zinc/95/61/25/431956125.db2.gz QFWSUFHDXSPXNA-WBMJQRKESA-N -1 0 317.410 3.259 50 0 DGAARM Cn1ccc2c1cccc2C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000097036163 431956967 /nfs/dbraw/zinc/95/69/67/431956967.db2.gz RHPLJDHQNBFSFB-UHFFFAOYSA-N -1 0 312.300 3.268 50 0 DGAARM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)c(Cl)cc1F ZINC000097036078 431957332 /nfs/dbraw/zinc/95/73/32/431957332.db2.gz HAZILFZYXIBAGS-UHFFFAOYSA-N -1 0 311.696 3.009 50 0 DGAARM CC(C)N(Cc1cccnc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097112456 431961566 /nfs/dbraw/zinc/96/15/66/431961566.db2.gz OAKHIVLQGUNOIB-UHFFFAOYSA-N -1 0 324.302 3.255 50 0 DGAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2)c1=O ZINC000100704288 431982628 /nfs/dbraw/zinc/98/26/28/431982628.db2.gz VYSSUTJILZHPIW-UHFFFAOYSA-N -1 0 322.364 3.288 50 0 DGAARM CCCc1cc(=O)n2[n-]cc(-c3ccc(OC)c(OC)c3)c2n1 ZINC000102599760 431995180 /nfs/dbraw/zinc/99/51/80/431995180.db2.gz IHNRNQREUILPOH-UHFFFAOYSA-N -1 0 313.357 3.072 50 0 DGAARM COc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1F ZINC000252504717 432380713 /nfs/dbraw/zinc/38/07/13/432380713.db2.gz DLIDZOHMSGNZMR-UHFFFAOYSA-N -1 0 302.305 3.369 50 0 DGAARM CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263572471 288354120 /nfs/dbraw/zinc/35/41/20/288354120.db2.gz KZBQLMPTYDQTCO-HNNXBMFYSA-N -1 0 324.380 3.065 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cccc(Cl)c1 ZINC000261962803 432465995 /nfs/dbraw/zinc/46/59/95/432465995.db2.gz OZSOMZYGKHDIKW-SNPRPXQTSA-N -1 0 321.804 3.127 50 0 DGAARM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)co1 ZINC000263058089 432516248 /nfs/dbraw/zinc/51/62/48/432516248.db2.gz GCQPEFXCENJSEM-UHFFFAOYSA-N -1 0 303.314 3.326 50 0 DGAARM CC(C)c1ccoc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263204517 432526722 /nfs/dbraw/zinc/52/67/22/432526722.db2.gz VRIUAIMTSSSVCN-UHFFFAOYSA-N -1 0 301.342 3.373 50 0 DGAARM Cc1nc(C(=O)N(CC2CC2)c2ccccc2)ccc1C(=O)[O-] ZINC000263309219 432532673 /nfs/dbraw/zinc/53/26/73/432532673.db2.gz FZVSIVISPZSQES-UHFFFAOYSA-N -1 0 310.353 3.145 50 0 DGAARM COc1cc(Cl)c(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000263413468 432541848 /nfs/dbraw/zinc/54/18/48/432541848.db2.gz MFODQYMTXAEIMN-LBPRGKRZSA-N -1 0 318.200 3.441 50 0 DGAARM Cc1c2cccc(C)c2oc1C(=O)NCCCCCC(=O)[O-] ZINC000195541926 432626838 /nfs/dbraw/zinc/62/68/38/432626838.db2.gz NQWANZFKMZZIFY-UHFFFAOYSA-N -1 0 303.358 3.424 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000195551014 432627629 /nfs/dbraw/zinc/62/76/29/432627629.db2.gz DCXCWXWFNSMODT-KZNAEPCWSA-N -1 0 323.392 3.267 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000212265542 432640479 /nfs/dbraw/zinc/64/04/79/432640479.db2.gz RQDOHZDVNCGRRP-NSHDSACASA-N -1 0 313.756 3.339 50 0 DGAARM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)o1 ZINC000216357182 432650778 /nfs/dbraw/zinc/65/07/78/432650778.db2.gz XFEIZFQCRQPJHM-HNNXBMFYSA-N -1 0 313.353 3.192 50 0 DGAARM COc1cc(C(=O)[O-])cc(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000218518852 432661259 /nfs/dbraw/zinc/66/12/59/432661259.db2.gz XOJHPVMRDHFBCB-UHFFFAOYSA-N -1 0 314.341 3.050 50 0 DGAARM Cn1cc(CN(C(=O)c2cc3ccccc3cc2O)C2CC2)cn1 ZINC000220121330 432666110 /nfs/dbraw/zinc/66/61/10/432666110.db2.gz CYIHDHVBKCYVLI-UHFFFAOYSA-N -1 0 321.380 3.084 50 0 DGAARM O=C([O-])CC1(NC(=O)CCc2cccc(F)c2)CCCCC1 ZINC000222972606 432674284 /nfs/dbraw/zinc/67/42/84/432674284.db2.gz KRWDDBAPGJCKBZ-UHFFFAOYSA-N -1 0 307.365 3.052 50 0 DGAARM C[C@@H](Cc1cccs1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000225458339 432691045 /nfs/dbraw/zinc/69/10/45/432691045.db2.gz JMZKASWTEDNKEZ-LBPRGKRZSA-N -1 0 317.410 3.126 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000237999629 432808676 /nfs/dbraw/zinc/80/86/76/432808676.db2.gz LJWCIOCDJQCGJM-BQTXGFLSSA-N -1 0 319.376 3.332 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000238101063 432812168 /nfs/dbraw/zinc/81/21/68/432812168.db2.gz MTNPSZFUCKLDIS-CQSZACIVSA-N -1 0 306.749 3.044 50 0 DGAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000238130699 432813642 /nfs/dbraw/zinc/81/36/42/432813642.db2.gz ADCKZSWWYWWWKZ-VXGBXAGGSA-N -1 0 315.291 3.236 50 0 DGAARM Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(F)cc1[O-] ZINC000332623782 433009916 /nfs/dbraw/zinc/00/99/16/433009916.db2.gz DAEKGRCNMQHTGG-UHFFFAOYSA-N -1 0 317.364 3.794 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)s1 ZINC000298508826 433159141 /nfs/dbraw/zinc/15/91/41/433159141.db2.gz KUHUWSJJMOHHHN-JTQLQIEISA-N -1 0 307.396 3.485 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)s1 ZINC000298508828 433160092 /nfs/dbraw/zinc/16/00/92/433160092.db2.gz KUHUWSJJMOHHHN-SNVBAGLBSA-N -1 0 307.396 3.485 50 0 DGAARM COc1ccc(-c2cc(=O)n(-c3nc4ccccc4[nH]3)[n-]2)cc1 ZINC000100758594 295046808 /nfs/dbraw/zinc/04/68/08/295046808.db2.gz FAFIMJLSPBZHST-UHFFFAOYSA-N -1 0 306.325 3.130 50 0 DGAARM CC(C)(C)[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000574010166 434942580 /nfs/dbraw/zinc/94/25/80/434942580.db2.gz QMILWIVSHFBORP-ZDUSSCGKSA-N -1 0 317.307 3.021 50 0 DGAARM COc1cc(C)cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1C ZINC000647701340 436107034 /nfs/dbraw/zinc/10/70/34/436107034.db2.gz JEHIPAOMOWBOON-UHFFFAOYSA-N -1 0 320.389 3.031 50 0 DGAARM Cc1c(C(=O)[O-])cnn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000299799162 300949470 /nfs/dbraw/zinc/94/94/70/300949470.db2.gz PUDUTWCDEMLXDH-UHFFFAOYSA-N -1 0 320.308 3.082 50 0 DGAARM Cc1c(C(=O)[O-])scc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000095491 300951266 /nfs/dbraw/zinc/95/12/66/300951266.db2.gz WZQQSJVPCVCQKE-UHFFFAOYSA-N -1 0 316.787 3.241 50 0 DGAARM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000653333094 436163238 /nfs/dbraw/zinc/16/32/38/436163238.db2.gz KYQKETDSVUBCGG-CABCVRRESA-N -1 0 315.394 3.408 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)o1 ZINC000095424077 301170902 /nfs/dbraw/zinc/17/09/02/301170902.db2.gz MTEABMDVZKUOED-ZDUSSCGKSA-N -1 0 321.760 3.496 50 0 DGAARM Cc1ccc(-n2c3sc(C(=O)[O-])cc3nc2N(C)C)cc1 ZINC000020281478 301477133 /nfs/dbraw/zinc/47/71/33/301477133.db2.gz JQRUPZNWWKCJSH-UHFFFAOYSA-N -1 0 301.371 3.160 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000013028102 301535580 /nfs/dbraw/zinc/53/55/80/301535580.db2.gz UGAWZOVBRDLZGJ-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000004085509 301844920 /nfs/dbraw/zinc/84/49/20/301844920.db2.gz LTCDNRNJGSQRKJ-QWHCGFSZSA-N -1 0 323.414 3.431 50 0 DGAARM Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000072311807 302004111 /nfs/dbraw/zinc/00/41/11/302004111.db2.gz RDQPRGGEBICWLU-UHFFFAOYSA-N -1 0 311.316 3.278 50 0 DGAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1C ZINC000100602484 302004288 /nfs/dbraw/zinc/00/42/88/302004288.db2.gz FSZKUFYXKGKSSG-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM Cc1ccccc1[C@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000077470998 302214952 /nfs/dbraw/zinc/21/49/52/302214952.db2.gz VYAXUJWTXWEGSS-AWEZNQCLSA-N -1 0 314.385 3.027 50 0 DGAARM O=C1[N-][C@H](C(Cl)(Cl)Cl)O[C@H]1C(Cl)(Cl)Cl ZINC000071766988 304821619 /nfs/dbraw/zinc/82/16/19/304821619.db2.gz PMRPYKMXVGTYRU-GPKNORDASA-N -1 0 321.802 3.408 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000237969068 323493769 /nfs/dbraw/zinc/49/37/69/323493769.db2.gz YKDLTTLHCROVCV-NSHDSACASA-N -1 0 319.332 3.289 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1OC(F)F ZINC000006726743 333000398 /nfs/dbraw/zinc/00/03/98/333000398.db2.gz LFZYMTPHOSJGOD-ZJUUUORDSA-N -1 0 313.300 3.118 50 0 DGAARM CCCCOc1cc(F)ccc1-c1c(C)nn(C)c1C(=O)[O-] ZINC000534674515 334321468 /nfs/dbraw/zinc/32/14/68/334321468.db2.gz NIHLREUCJPNXKA-UHFFFAOYSA-N -1 0 306.337 3.412 50 0 DGAARM CCn1ccnc1CN(C)c1cc(C)nc(-c2ccccc2[O-])n1 ZINC000102321826 517880995 /nfs/dbraw/zinc/88/09/95/517880995.db2.gz WYZUOIWZFKYTFJ-UHFFFAOYSA-N -1 0 323.400 3.010 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)CCSCc1ccccc1 ZINC000299784941 534502872 /nfs/dbraw/zinc/50/28/72/534502872.db2.gz LHIQFHAQFMGTQF-HNNXBMFYSA-N -1 0 321.442 3.166 50 0 DGAARM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC23CC3)c2ccccc12 ZINC000263145570 546341077 /nfs/dbraw/zinc/34/10/77/546341077.db2.gz HCGIPAPQOMTLJI-ZDUSSCGKSA-N -1 0 311.337 3.042 50 0 DGAARM Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(C)s1 ZINC000315070167 546456247 /nfs/dbraw/zinc/45/62/47/546456247.db2.gz HATXUBLNEGCXOC-HNNXBMFYSA-N -1 0 315.394 3.189 50 0 DGAARM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000516937973 546958417 /nfs/dbraw/zinc/95/84/17/546958417.db2.gz HFUGBLYPONGAST-KRWDZBQOSA-N -1 0 309.365 3.351 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)c1cccs1 ZINC000170066822 563903656 /nfs/dbraw/zinc/90/36/56/563903656.db2.gz XZHAWNBMKCIPAY-OCCSQVGLSA-N -1 0 317.410 3.492 50 0 DGAARM CC(C)c1nc(=NCc2nc(-c3ccccn3)cs2)s[n-]1 ZINC000585092286 575271384 /nfs/dbraw/zinc/27/13/84/575271384.db2.gz NCUUFACXUWFOAR-UHFFFAOYSA-N -1 0 317.443 3.214 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000177480150 600227016 /nfs/dbraw/zinc/22/70/16/600227016.db2.gz QFZZTTFNVNTGAK-CQSZACIVSA-N -1 0 315.394 3.286 50 0 DGAARM Cc1c(NC(=O)[C@@H]2C[C@@H]2C)cc(Br)cc1C(=O)[O-] ZINC000863981673 621724363 /nfs/dbraw/zinc/72/43/63/621724363.db2.gz HFFVXEWNWCRUNO-IMTBSYHQSA-N -1 0 312.163 3.050 50 0 DGAARM O=C1Cc2ccccc2C(=O)N1c1cc(Cl)c([O-])c(Cl)c1 ZINC000213051013 625825878 /nfs/dbraw/zinc/82/58/78/625825878.db2.gz CWZCUUNDESMFLI-UHFFFAOYSA-N -1 0 322.147 3.429 50 0 DGAARM C[C@@H]1C[C@H](C)CN(c2cc(C(=O)[O-])cc(Br)n2)C1 ZINC000725347701 656533612 /nfs/dbraw/zinc/53/36/12/656533612.db2.gz MQHMCBHEKAGAOA-DTORHVGOSA-N -1 0 313.195 3.025 50 0 DGAARM CC(C)(C)OC(=O)Nc1cccc(Br)c1C(=O)[O-] ZINC000725375234 656533778 /nfs/dbraw/zinc/53/37/78/656533778.db2.gz JIUHKQKWFYPHKB-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000263273310 658188550 /nfs/dbraw/zinc/18/85/50/658188550.db2.gz WHLKFKMAFWPZQC-OAHLLOKOSA-N -1 0 324.380 3.188 50 0 DGAARM C[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000263552966 658282984 /nfs/dbraw/zinc/28/29/84/658282984.db2.gz MGHRNMMHZFNMRD-ZBFHGGJFSA-N -1 0 303.402 3.111 50 0 DGAARM CSc1ncc(C(=O)[O-])c(-c2cc(F)cc3cccnc32)n1 ZINC001506420892 1186226626 /nfs/dbraw/zinc/22/66/26/1186226626.db2.gz BOULMUQYXXXWBP-UHFFFAOYSA-N -1 0 315.329 3.251 50 0 DGAARM Cc1c[nH]c([C@H](C)Nc2cc(C)nc(-c3ccccc3[O-])n2)n1 ZINC001529153196 1187536352 /nfs/dbraw/zinc/53/63/52/1187536352.db2.gz SDPKLSCFYWAGPT-LBPRGKRZSA-N -1 0 309.373 3.362 50 0 DGAARM CC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@@H](C(=O)[O-])OC1(C)C ZINC000056955820 1194865275 /nfs/dbraw/zinc/86/52/75/1194865275.db2.gz VAHXMEZCPGHDBJ-OLZOCXBDSA-N -1 0 321.373 3.184 50 0 DGAARM COc1ccc(-c2onc(N3CCC[C@@H]3C)c2C(=O)[O-])cc1 ZINC001704308570 1202520003 /nfs/dbraw/zinc/52/00/03/1202520003.db2.gz FDLXIKQRNBABSH-JTQLQIEISA-N -1 0 302.330 3.037 50 0 DGAARM COCC(C)(C)CNc1noc(-c2ccccc2)c1C(=O)[O-] ZINC001704354684 1202522579 /nfs/dbraw/zinc/52/25/79/1202522579.db2.gz IHHOBGIEVBPDKB-UHFFFAOYSA-N -1 0 304.346 3.124 50 0 DGAARM CN1CC[C@H](Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000077010640 185067217 /nfs/dbraw/zinc/06/72/17/185067217.db2.gz NEHPTLICXQVUKX-MRXNPFEDSA-N -1 0 309.365 3.073 50 0 DGAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2csc(C)n2)cc1C ZINC000095391925 185351988 /nfs/dbraw/zinc/35/19/88/185351988.db2.gz ZMLIZBOAFOSGFN-HNNXBMFYSA-N -1 0 320.414 3.026 50 0 DGAARM Cc1nc(-c2cccc(C(=O)N(C)CCCC(=O)[O-])c2)cs1 ZINC000225457039 201713771 /nfs/dbraw/zinc/71/37/71/201713771.db2.gz JUTIGTKNGVHLRZ-UHFFFAOYSA-N -1 0 318.398 3.055 50 0 DGAARM O=C([O-])[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000013401030 190637599 /nfs/dbraw/zinc/63/75/99/190637599.db2.gz BZYPJYMCKWWCSL-XYPHTWIQSA-N -1 0 323.348 3.024 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000097001636 185396152 /nfs/dbraw/zinc/39/61/52/185396152.db2.gz IFRPCRAIDAYWED-UHFFFAOYSA-N -1 0 308.337 3.138 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)Nc2ccc3[nH]ccc3c2)cc1 ZINC000095424283 185361386 /nfs/dbraw/zinc/36/13/86/185361386.db2.gz ZTKBDSKKOHGNLE-UHFFFAOYSA-N -1 0 308.337 3.437 50 0 DGAARM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000097017502 185397711 /nfs/dbraw/zinc/39/77/11/185397711.db2.gz HLYVQEACPRETJJ-AWEZNQCLSA-N -1 0 321.373 3.070 50 0 DGAARM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000097018502 185397785 /nfs/dbraw/zinc/39/77/85/185397785.db2.gz SZFHSYONVCSVIQ-LLVKDONJSA-N -1 0 303.383 3.208 50 0 DGAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000140151679 186025160 /nfs/dbraw/zinc/02/51/60/186025160.db2.gz BDLDVMZWIHUIMJ-NEPJUHHUSA-N -1 0 316.382 3.250 50 0 DGAARM O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1cccs1 ZINC000072303851 191116967 /nfs/dbraw/zinc/11/69/67/191116967.db2.gz COTHORDFRLAAFF-UHFFFAOYSA-N -1 0 309.199 3.251 50 0 DGAARM CC(C)n1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000072328116 191122509 /nfs/dbraw/zinc/12/25/09/191122509.db2.gz WTJWZLDZRLMSDR-UHFFFAOYSA-N -1 0 311.794 3.356 50 0 DGAARM COc1cc(OC)c(-c2cc(C(=O)[O-])ccc2OC)c(OC)c1 ZINC000000381784 180772470 /nfs/dbraw/zinc/77/24/70/180772470.db2.gz FTOKVNNBVHKXMH-UHFFFAOYSA-N -1 0 318.325 3.086 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000000384638 180773322 /nfs/dbraw/zinc/77/33/22/180773322.db2.gz RWJHDSSMIVXHFL-UHFFFAOYSA-N -1 0 306.387 3.014 50 0 DGAARM O=C([O-])C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000061674702 304030395 /nfs/dbraw/zinc/03/03/95/304030395.db2.gz VBKOQBBJCULTSE-UHFFFAOYSA-N -1 0 317.154 3.012 50 0 DGAARM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)O1 ZINC000163626822 432037203 /nfs/dbraw/zinc/03/72/03/432037203.db2.gz MRBLPAPBMHBPTH-MWLCHTKSSA-N -1 0 306.387 3.403 50 0 DGAARM COc1ccc(Cc2nnc(Nc3ccccc3C)[n-]c2=O)cc1 ZINC000004032408 181064974 /nfs/dbraw/zinc/06/49/74/181064974.db2.gz UUDYDDIQVIPXEE-UHFFFAOYSA-N -1 0 322.368 3.229 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1F)C(=O)[O-] ZINC000004240945 181086961 /nfs/dbraw/zinc/08/69/61/181086961.db2.gz JHRPTZRVQXTAPK-QGZVFWFLSA-N -1 0 323.364 3.223 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccsc1)C(=O)[O-] ZINC000004241260 181087515 /nfs/dbraw/zinc/08/75/15/181087515.db2.gz LSZNTEAQCQFYGJ-HNNXBMFYSA-N -1 0 311.403 3.145 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004673269 181134829 /nfs/dbraw/zinc/13/48/29/181134829.db2.gz MOQGSCDMYULJCN-RYUDHWBXSA-N -1 0 313.275 3.311 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000004647243 181131465 /nfs/dbraw/zinc/13/14/65/181131465.db2.gz PBGLZGCIGSXJIR-NSHDSACASA-N -1 0 322.455 3.377 50 0 DGAARM COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004652032 181132296 /nfs/dbraw/zinc/13/22/96/181132296.db2.gz YTFBBZBPPGLVCE-MNOVXSKESA-N -1 0 311.765 3.178 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])cc1 ZINC000004724642 181142803 /nfs/dbraw/zinc/14/28/03/181142803.db2.gz NCLVMCJUOXOLOL-KGLIPLIRSA-N -1 0 321.760 3.061 50 0 DGAARM Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000004970485 181181045 /nfs/dbraw/zinc/18/10/45/181181045.db2.gz WERIYFBIJPENKP-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(CCC(=O)[O-])n1 ZINC000074941252 191392092 /nfs/dbraw/zinc/39/20/92/191392092.db2.gz UVYRREJXGKUNRH-CQSZACIVSA-N -1 0 320.389 3.171 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000005154371 181210640 /nfs/dbraw/zinc/21/06/40/181210640.db2.gz QGDWTBGJBSTYHU-UHFFFAOYSA-N -1 0 320.396 3.425 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000237924192 304058674 /nfs/dbraw/zinc/05/86/74/304058674.db2.gz PTFNWTNDXFDCEJ-HNNXBMFYSA-N -1 0 307.365 3.004 50 0 DGAARM COc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000237269583 202210822 /nfs/dbraw/zinc/21/08/22/202210822.db2.gz AGZMRYNKLDFLAA-OAHLLOKOSA-N -1 0 317.341 3.114 50 0 DGAARM O=C([O-])c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000169676906 432071468 /nfs/dbraw/zinc/07/14/68/432071468.db2.gz GQLUEYGFPYXPBO-UHFFFAOYSA-N -1 0 321.785 3.298 50 0 DGAARM CSCC[C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000170612824 432073885 /nfs/dbraw/zinc/07/38/85/432073885.db2.gz HMAQYAQSLGBRHX-AWEZNQCLSA-N -1 0 321.398 3.368 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004648175 304099842 /nfs/dbraw/zinc/09/98/42/304099842.db2.gz MOQGSCDMYULJCN-NWDGAFQWSA-N -1 0 313.275 3.311 50 0 DGAARM CCc1cc2c([n-]c(=S)n(Cc3cccnc3)c2=O)s1 ZINC000006621407 181361497 /nfs/dbraw/zinc/36/14/97/181361497.db2.gz HDPFTQMZSANWBX-UHFFFAOYSA-N -1 0 303.412 3.126 50 0 DGAARM Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(-c2ccccc2[O-])n1 ZINC000091426585 193053660 /nfs/dbraw/zinc/05/36/60/193053660.db2.gz OUXMMLKSSCMIDE-LBPRGKRZSA-N -1 0 309.373 3.064 50 0 DGAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000091656840 193085533 /nfs/dbraw/zinc/08/55/33/193085533.db2.gz SMEGGPFJAUATJG-GOSISDBHSA-N -1 0 320.433 3.350 50 0 DGAARM O=C([O-])C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695169 193092690 /nfs/dbraw/zinc/09/26/90/193092690.db2.gz HULLVRCVIPQZSK-UHFFFAOYSA-N -1 0 322.714 3.050 50 0 DGAARM Cc1ncccc1NC(=O)C[C@H](CC(=O)[O-])c1cccs1 ZINC000223128209 201634873 /nfs/dbraw/zinc/63/48/73/201634873.db2.gz BOWVYBORJVZNNN-LLVKDONJSA-N -1 0 304.371 3.039 50 0 DGAARM CCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000000487543 284122917 /nfs/dbraw/zinc/12/29/17/284122917.db2.gz YGLNAHYGXYDDTD-UHFFFAOYSA-N -1 0 308.337 3.036 50 0 biogenic DGAARM Cc1oc(CNC(=O)Cc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000095361115 193430685 /nfs/dbraw/zinc/43/06/85/193430685.db2.gz HZXYGVJUUOTAOA-UHFFFAOYSA-N -1 0 323.348 3.298 50 0 DGAARM COc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc1OC ZINC000096035423 193492779 /nfs/dbraw/zinc/49/27/79/193492779.db2.gz WCKSELLTEWAVGC-DKBJKEKUSA-N -1 0 317.366 3.429 50 0 DGAARM Cc1ncc([N-]S(=O)(=O)c2cccs2)c(C)c1Cl ZINC000096182469 193561986 /nfs/dbraw/zinc/56/19/86/193561986.db2.gz KOURTBQNFWTOHL-UHFFFAOYSA-N -1 0 302.808 3.214 50 0 DGAARM COC(=O)c1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)o1 ZINC000096313860 193612503 /nfs/dbraw/zinc/61/25/03/193612503.db2.gz REQCGZGFBLDGDF-SREVYHEPSA-N -1 0 323.304 3.483 50 0 DGAARM CCCc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000007985326 181516136 /nfs/dbraw/zinc/51/61/36/181516136.db2.gz BNCZIHQBTLZSKW-UHFFFAOYSA-N -1 0 320.366 3.105 50 0 DGAARM Cc1cc(C(=O)CSc2ccccc2C(=O)[O-])c(C)n1C ZINC000012812157 181800600 /nfs/dbraw/zinc/80/06/00/181800600.db2.gz DLHJIPSISKEKJD-UHFFFAOYSA-N -1 0 303.383 3.315 50 0 DGAARM O=C(NC1CCCCCCC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000013126554 181830993 /nfs/dbraw/zinc/83/09/93/181830993.db2.gz UZUFXRDBMNZRDM-UHFFFAOYSA-N -1 0 314.385 3.076 50 0 aggregator DGAARM CC(C)[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000013167198 181835349 /nfs/dbraw/zinc/83/53/49/181835349.db2.gz GOPGGSWHDWEVMP-HNNXBMFYSA-N -1 0 323.820 3.403 50 0 DGAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)OCC)s2)c1=O ZINC000015671490 182010915 /nfs/dbraw/zinc/01/09/15/182010915.db2.gz KNKOZFUOCZSNDL-UHFFFAOYSA-N -1 0 323.418 3.171 50 0 DGAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C ZINC000016647577 182055385 /nfs/dbraw/zinc/05/53/85/182055385.db2.gz WLYUYOFZUXFBBV-UHFFFAOYSA-N -1 0 320.414 3.370 50 0 DGAARM O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1[O-] ZINC000022326632 182318179 /nfs/dbraw/zinc/31/81/79/182318179.db2.gz NIXJVFDIFJRVAP-UHFFFAOYSA-N -1 0 317.776 3.293 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000013260724 304183467 /nfs/dbraw/zinc/18/34/67/304183467.db2.gz NXJNBWFQZLMJRI-ZETCQYMHSA-N -1 0 320.147 3.069 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000024070236 182374460 /nfs/dbraw/zinc/37/44/60/182374460.db2.gz PNRZMNIXHBYXIC-UHFFFAOYSA-N -1 0 311.428 3.483 50 0 DGAARM CCO[N-]C(=O)COc1cc2sc(C)nc2c2sccc21 ZINC000043115636 183339149 /nfs/dbraw/zinc/33/91/49/183339149.db2.gz OLQNKPOPBZYTSE-UHFFFAOYSA-N -1 0 322.411 3.266 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C1CCCCCC1 ZINC000261962546 304212467 /nfs/dbraw/zinc/21/24/67/304212467.db2.gz OXMKAOSZGWSJQK-MRXNPFEDSA-N -1 0 301.386 3.167 50 0 DGAARM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000159781594 197364735 /nfs/dbraw/zinc/36/47/35/197364735.db2.gz HJZOXXJNMCEIEK-KRWDZBQOSA-N -1 0 324.380 3.136 50 0 DGAARM O=C([O-])c1cc(-c2ccccc2)n2nc(C(F)(F)F)cc2n1 ZINC000047474219 304219795 /nfs/dbraw/zinc/21/97/95/304219795.db2.gz SQOFWROSFDCZKZ-UHFFFAOYSA-N -1 0 307.231 3.113 50 0 DGAARM CCN(CC)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000058065147 184072641 /nfs/dbraw/zinc/07/26/41/184072641.db2.gz REJUDZBOVNDORZ-UHFFFAOYSA-N -1 0 312.369 3.483 50 0 DGAARM CS[C@@H]1CCC[C@H]1N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000089334855 295641366 /nfs/dbraw/zinc/64/13/66/295641366.db2.gz MJDKENQONKKWCS-ZYHUDNBSSA-N -1 0 301.358 3.027 50 0 DGAARM CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2)c2cccnc21 ZINC000065242144 184317802 /nfs/dbraw/zinc/31/78/02/184317802.db2.gz FLWNNUFUADLGEI-UHFFFAOYSA-N -1 0 315.398 3.165 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)o1 ZINC000097231571 304233504 /nfs/dbraw/zinc/23/35/04/304233504.db2.gz WEUYVFQLPPKOSO-LLVKDONJSA-N -1 0 303.314 3.328 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2noc3c2CCCC3)cc1Cl ZINC000097017598 304248401 /nfs/dbraw/zinc/24/84/01/304248401.db2.gz GJHYZWYAOILTOU-UHFFFAOYSA-N -1 0 320.732 3.157 50 0 DGAARM O=C([O-])c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000226834 304280056 /nfs/dbraw/zinc/28/00/56/304280056.db2.gz LYZQKJPJPOCQQM-QWRGUYRKSA-N -1 0 311.263 3.242 50 0 DGAARM O=C([O-])c1coc(C(=O)NC2(c3ccc(F)cc3F)CCC2)c1 ZINC000191618748 304281017 /nfs/dbraw/zinc/28/10/17/304281017.db2.gz GKWIMSGHVPMHIQ-UHFFFAOYSA-N -1 0 321.279 3.065 50 0 DGAARM O=C([O-])c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000021960666 304284796 /nfs/dbraw/zinc/28/47/96/304284796.db2.gz VBQZORHBTCMSKL-UHFFFAOYSA-N -1 0 321.174 3.212 50 0 DGAARM COc1cccc(CNc2cc(C(=O)[O-])ccc2Cl)c1O ZINC000019925631 400188028 /nfs/dbraw/zinc/18/80/28/400188028.db2.gz ZSWWQRFEEGKPNH-UHFFFAOYSA-N -1 0 307.733 3.365 50 0 DGAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1C ZINC000384994579 400261086 /nfs/dbraw/zinc/26/10/86/400261086.db2.gz RELNVANJRBRYQO-SVRRBLITSA-N -1 0 312.163 3.050 50 0 DGAARM Cc1noc(C)c1COC(=O)c1cc(-c2cccs2)[nH]n1 ZINC000072332249 400381564 /nfs/dbraw/zinc/38/15/64/400381564.db2.gz RTCSZMPOPUQMIC-UHFFFAOYSA-N -1 0 303.343 3.100 50 0 DGAARM COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(C)cc3=O)cc1 ZINC000143211587 400634333 /nfs/dbraw/zinc/63/43/33/400634333.db2.gz MFLDNGCPKXYVLM-UHFFFAOYSA-N -1 0 323.274 3.438 50 0 DGAARM CC(C)[C@@](C)(NC(=O)/C=C/c1cccc2ccccc12)C(=O)[O-] ZINC000170592097 400763846 /nfs/dbraw/zinc/76/38/46/400763846.db2.gz BPKZLWKZWKCEEI-TZZQJPOUSA-N -1 0 311.381 3.469 50 0 DGAARM COC(=O)c1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000170651771 400768791 /nfs/dbraw/zinc/76/87/91/400768791.db2.gz APMKMIRYLQUWHW-QDJBHUIFSA-N -1 0 315.350 3.198 50 0 DGAARM Cn1ncc(C2CCC2)c1/C=C/c1ncc(/C=C\C(=O)[O-])s1 ZINC000606445095 400914314 /nfs/dbraw/zinc/91/43/14/400914314.db2.gz XUHYRTWARFOWIF-NGWHPUCNSA-N -1 0 315.398 3.412 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000630272418 401230461 /nfs/dbraw/zinc/23/04/61/401230461.db2.gz KPHBBUKZNAVWOY-GYSYKLTISA-N -1 0 307.777 3.055 50 0 DGAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1C ZINC000630277492 401231406 /nfs/dbraw/zinc/23/14/06/401231406.db2.gz DLTJCERRBRRZNA-PMPSAXMXSA-N -1 0 301.386 3.019 50 0 DGAARM COc1ccc([C@@H](C(=O)[O-])N2CCc3sccc3C2)cc1F ZINC000095383560 286353122 /nfs/dbraw/zinc/35/31/22/286353122.db2.gz GJXCBIBFRHVPQR-HNNXBMFYSA-N -1 0 321.373 3.080 50 0 DGAARM C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC000245239179 296765830 /nfs/dbraw/zinc/76/58/30/296765830.db2.gz GEQXSECHWINMQT-GMTAPVOTSA-N -1 0 322.430 3.097 50 0 DGAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262940905 165824357 /nfs/dbraw/zinc/82/43/57/165824357.db2.gz LJCKRBIMCDBWNZ-BXUZGUMPSA-N -1 0 322.405 3.031 50 0 DGAARM CCc1oc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1C ZINC000263079171 165833643 /nfs/dbraw/zinc/83/36/43/165833643.db2.gz KWUSZKDSMHUQCF-UHFFFAOYSA-N -1 0 317.341 3.247 50 0 DGAARM CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000131969437 196215656 /nfs/dbraw/zinc/21/56/56/196215656.db2.gz PLLLBOAWJQAHEO-LBPRGKRZSA-N -1 0 301.367 3.139 50 0 DGAARM Cn1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC000177478474 228331003 /nfs/dbraw/zinc/33/10/03/228331003.db2.gz URCWNRAKZOYFKN-HNNXBMFYSA-N -1 0 320.348 3.007 50 0 DGAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000299744982 229383453 /nfs/dbraw/zinc/38/34/53/229383453.db2.gz QLJQECFZLPYHMA-OQSWDALSSA-N -1 0 321.804 3.203 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000299746006 229387376 /nfs/dbraw/zinc/38/73/76/229387376.db2.gz URVBTXPQICKTLP-RCBQFDQVSA-N -1 0 319.376 3.033 50 0 DGAARM Cc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)c(C)c1 ZINC000347389320 264212106 /nfs/dbraw/zinc/21/21/06/264212106.db2.gz IGPGPAFEJPJFNV-VURMDHGXSA-N -1 0 312.369 3.295 50 0 DGAARM CCOc1cc(S(=O)(=O)[N-]c2cc(C)ccn2)c(C)cc1C ZINC000095946085 426376618 /nfs/dbraw/zinc/37/66/18/426376618.db2.gz DZBCKWZMUNXUNZ-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000039956961 278441813 /nfs/dbraw/zinc/44/18/13/278441813.db2.gz DHJLBUSFXBGSRT-JTQLQIEISA-N -1 0 319.279 3.356 50 0 DGAARM CCc1c(C)c(C(=O)[O-])[nH]c1Cc1[nH]c(C)c(C(C)=O)c1C ZINC000000053046 431115601 /nfs/dbraw/zinc/11/56/01/431115601.db2.gz JLOMDGPNTBMWOG-UHFFFAOYSA-N -1 0 302.374 3.322 50 0 DGAARM O=C([O-])CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000078329 431118500 /nfs/dbraw/zinc/11/85/00/431118500.db2.gz AVUOMUDSGDOION-UHFFFAOYSA-N -1 0 311.366 3.111 50 0 DGAARM O=C(NC(=O)c1c(F)cccc1F)Nc1c(F)cccc1F ZINC000000092109 431121875 /nfs/dbraw/zinc/12/18/75/431121875.db2.gz JGIMSSXFWVLFJA-UHFFFAOYSA-N -1 0 312.222 3.205 50 0 DGAARM CCOc1ccccc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000147800 431134472 /nfs/dbraw/zinc/13/44/72/431134472.db2.gz SXNBWGDCLHZCCQ-UHFFFAOYSA-N -1 0 300.314 3.428 50 0 DGAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000000384731 431176303 /nfs/dbraw/zinc/17/63/03/431176303.db2.gz KRWSWRVFWLVOEC-UHFFFAOYSA-N -1 0 320.414 3.405 50 0 DGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000000528604 431196286 /nfs/dbraw/zinc/19/62/86/431196286.db2.gz AGGMAMGASRWQNQ-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000211379 431147091 /nfs/dbraw/zinc/14/70/91/431147091.db2.gz KABCLBSNZVZTEY-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM COc1ccc(-c2nn(C)c3sc(C(=O)[O-])cc23)cc1OC ZINC000000269878 431156022 /nfs/dbraw/zinc/15/60/22/431156022.db2.gz UXEYBROLNUYLMQ-UHFFFAOYSA-N -1 0 318.354 3.017 50 0 DGAARM COc1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000261212 431157409 /nfs/dbraw/zinc/15/74/09/431157409.db2.gz QPYTVMVVJQQGBR-DYVFJYSZSA-N -1 0 305.374 3.161 50 0 DGAARM CC(C)COC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000000278885 431160485 /nfs/dbraw/zinc/16/04/85/431160485.db2.gz VQXLQCHXTLHHSV-UHFFFAOYSA-N -1 0 309.366 3.473 50 0 DGAARM Cc1ccc(CNC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000000611359 431204761 /nfs/dbraw/zinc/20/47/61/431204761.db2.gz VQGCUXRDPOSANH-UHFFFAOYSA-N -1 0 314.410 3.488 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(C)c(C)c2)cc1 ZINC000000578842 431205333 /nfs/dbraw/zinc/20/53/33/431205333.db2.gz ZOTIEMZAUXLOBX-UHFFFAOYSA-N -1 0 302.395 3.268 50 0 DGAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)[O-])c(C)c21 ZINC000002119858 431244851 /nfs/dbraw/zinc/24/48/51/431244851.db2.gz WXSGUOVEIIVWMK-UHFFFAOYSA-N -1 0 300.310 3.400 50 0 biogenic DGAARM CN(C(=O)OC(C)(C)C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002583095 431258888 /nfs/dbraw/zinc/25/88/88/431258888.db2.gz XLQCIKDAEIMMEU-AWEZNQCLSA-N -1 0 318.373 3.031 50 0 DGAARM O=C([O-])CCCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002527172 431253480 /nfs/dbraw/zinc/25/34/80/431253480.db2.gz BZRPDNDVXWLKCX-UHFFFAOYSA-N -1 0 305.374 3.290 50 0 DGAARM Nc1cccc(-c2nn(-c3ccccc3)cc2CCC(=O)[O-])c1 ZINC000003260408 431290023 /nfs/dbraw/zinc/29/00/23/431290023.db2.gz JTPQSXJEXQMDHN-UHFFFAOYSA-N -1 0 307.353 3.139 50 0 DGAARM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccccc1F ZINC000071909626 431314974 /nfs/dbraw/zinc/31/49/74/431314974.db2.gz QLQYQOUHGDKXOZ-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000002740254 431267327 /nfs/dbraw/zinc/26/73/27/431267327.db2.gz ROYDZIKUNGAOQP-GXFFZTMASA-N -1 0 309.774 3.388 50 0 DGAARM CC[C@H](C)[C@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000002815770 431271631 /nfs/dbraw/zinc/27/16/31/431271631.db2.gz DQXLHGIEOPHCII-UFBFGSQYSA-N -1 0 305.403 3.091 50 0 DGAARM Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000008715806 431409390 /nfs/dbraw/zinc/40/93/90/431409390.db2.gz YCQDZPWSQYVUPF-UHFFFAOYSA-N -1 0 304.415 3.488 50 0 DGAARM O=C([O-])C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC000011568003 431475742 /nfs/dbraw/zinc/47/57/42/431475742.db2.gz HAZFDKDOYRIUAQ-UHFFFAOYSA-N -1 0 317.776 3.098 50 0 DGAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000012560534 431516403 /nfs/dbraw/zinc/51/64/03/431516403.db2.gz FLSYCHAEIQABIH-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1ccc(S[C@H](C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000012794414 431527739 /nfs/dbraw/zinc/52/77/39/431527739.db2.gz IJOYOXHPJTUPJT-CYBMUJFWSA-N -1 0 309.431 3.237 50 0 DGAARM CCc1cccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1 ZINC000012414900 431507788 /nfs/dbraw/zinc/50/77/88/431507788.db2.gz GZPIDHWUNCCSIT-UHFFFAOYSA-N -1 0 308.337 3.048 50 0 DGAARM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2s1 ZINC000013061709 431546913 /nfs/dbraw/zinc/54/69/13/431546913.db2.gz RAZBPTRPMHMVHH-UHFFFAOYSA-N -1 0 323.399 3.010 50 0 DGAARM Cc1ccccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000013185329 431548896 /nfs/dbraw/zinc/54/88/96/431548896.db2.gz KELJKQYRLJKUAO-UHFFFAOYSA-N -1 0 323.392 3.254 50 0 DGAARM CCOC(=O)c1cc(C)n(CC2CCC(C(=O)[O-])CC2)c1C ZINC000032919501 431801175 /nfs/dbraw/zinc/80/11/75/431801175.db2.gz QVUYWXIAANTCOL-UHFFFAOYSA-N -1 0 307.390 3.173 50 0 DGAARM O=C([N-]c1nnc(C2CC2)s1)c1cc(-c2ccccc2)no1 ZINC000032913665 431801282 /nfs/dbraw/zinc/80/12/82/431801282.db2.gz UGRLKUNYPCFJNI-UHFFFAOYSA-N -1 0 312.354 3.323 50 0 DGAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1cc2ccccc2[nH]1 ZINC000032919103 431802137 /nfs/dbraw/zinc/80/21/37/431802137.db2.gz LDTPEGGFXPAONH-IRXDYDNUSA-N -1 0 320.348 3.163 50 0 DGAARM CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)[O-])c1C ZINC000032919450 431802540 /nfs/dbraw/zinc/80/25/40/431802540.db2.gz RWBMERUHQJNIIS-UHFFFAOYSA-N -1 0 301.342 3.033 50 0 DGAARM O=C([O-])c1csc(-n2nc(C(F)F)cc2-c2ccco2)n1 ZINC000033435787 431812033 /nfs/dbraw/zinc/81/20/33/431812033.db2.gz PIZLRPCMWHUGHS-UHFFFAOYSA-N -1 0 311.269 3.225 50 0 DGAARM CCCCCCOC(=O)c1ccccc1NC(=O)/C=C\C(=O)[O-] ZINC000033387591 431813246 /nfs/dbraw/zinc/81/32/46/431813246.db2.gz JMEULZSEFYXSMX-KHPPLWFESA-N -1 0 319.357 3.003 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1O ZINC000033769691 431816463 /nfs/dbraw/zinc/81/64/63/431816463.db2.gz JHPBJTPCWNPELS-UHFFFAOYSA-N -1 0 314.366 3.050 50 0 DGAARM CC(C)c1ocnc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221916929 280739449 /nfs/dbraw/zinc/73/94/49/280739449.db2.gz OVCKNIXCVNNEKX-YVMONPNESA-N -1 0 300.314 3.148 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000037827891 431850434 /nfs/dbraw/zinc/85/04/34/431850434.db2.gz DNCSHJZIKVHEGL-QWHCGFSZSA-N -1 0 321.423 3.059 50 0 DGAARM Cc1noc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000089556389 431870860 /nfs/dbraw/zinc/87/08/60/431870860.db2.gz RMTCLNLFKPJOQI-UHFFFAOYSA-N -1 0 320.292 3.111 50 0 DGAARM O=C([O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000034152558 431819056 /nfs/dbraw/zinc/81/90/56/431819056.db2.gz OKFLMULEFDZLKG-AEFFLSMTSA-N -1 0 309.365 3.251 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000035302336 431828987 /nfs/dbraw/zinc/82/89/87/431828987.db2.gz CATKDORIZUSJMC-ZDUSSCGKSA-N -1 0 306.749 3.044 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2ccno2)s1 ZINC000036357239 431838516 /nfs/dbraw/zinc/83/85/16/431838516.db2.gz WEOMZHCXUGPOQM-UHFFFAOYSA-N -1 0 324.358 3.343 50 0 DGAARM O=C([O-])c1csc(Nc2cccc(OC(F)(F)F)c2)n1 ZINC000095929477 431926464 /nfs/dbraw/zinc/92/64/64/431926464.db2.gz ZFCVPYDPOGNYGU-UHFFFAOYSA-N -1 0 304.249 3.484 50 0 DGAARM COCc1ccccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000048367412 431924798 /nfs/dbraw/zinc/92/47/98/431924798.db2.gz PLKDVYMFSLUFMB-UHFFFAOYSA-N -1 0 311.428 3.312 50 0 DGAARM C[C@@H](CNC(=O)c1ccc(CSc2ccccc2)o1)C(=O)[O-] ZINC000089901239 431885060 /nfs/dbraw/zinc/88/50/60/431885060.db2.gz DWUHUTZXVDBLFE-NSHDSACASA-N -1 0 319.382 3.022 50 0 DGAARM CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCC2 ZINC000045951716 431891919 /nfs/dbraw/zinc/89/19/19/431891919.db2.gz KUMXRUUTBNJLKU-WFASDCNBSA-N -1 0 301.386 3.422 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)c2csc(C3CC3)n2)cc1 ZINC000124777324 431904422 /nfs/dbraw/zinc/90/44/22/431904422.db2.gz HGKLPLJNXRZUEX-UHFFFAOYSA-N -1 0 316.382 3.290 50 0 DGAARM O=C([O-])[C@H](CNC(=O)c1ccoc1)Cc1ccc2ccccc2c1 ZINC000095970702 431929721 /nfs/dbraw/zinc/92/97/21/431929721.db2.gz NOXISGMEDBSNHV-KRWDZBQOSA-N -1 0 323.348 3.106 50 0 DGAARM O=C([O-])c1cccc(NC(=O)Cc2cc(-c3ccccc3)on2)c1 ZINC000095970344 431929756 /nfs/dbraw/zinc/92/97/56/431929756.db2.gz ZDYQSZQJSCSDEE-UHFFFAOYSA-N -1 0 322.320 3.221 50 0 DGAARM C[C@H](OCC1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000095983106 431932065 /nfs/dbraw/zinc/93/20/65/431932065.db2.gz KSEGISMBZJVSLA-ZETCQYMHSA-N -1 0 304.173 3.453 50 0 DGAARM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000095991810 431932391 /nfs/dbraw/zinc/93/23/91/431932391.db2.gz IGVAKTSETRULGA-BBRMVZONSA-N -1 0 303.402 3.355 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000095989352 431932509 /nfs/dbraw/zinc/93/25/09/431932509.db2.gz DCXCWXWFNSMODT-RCCFBDPRSA-N -1 0 323.392 3.267 50 0 DGAARM C[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N(C)C ZINC000096004054 431933190 /nfs/dbraw/zinc/93/31/90/431933190.db2.gz BZAGIBJVMHSIDI-YFKPBYRVSA-N -1 0 311.596 3.241 50 0 DGAARM Cc1ccc(C(=O)[O-])c(N(C)Cc2csc(C(C)C)n2)n1 ZINC000096164823 431940527 /nfs/dbraw/zinc/94/05/27/431940527.db2.gz MOOQDMIZAMCFAT-UHFFFAOYSA-N -1 0 305.403 3.305 50 0 DGAARM C[C@H](Oc1cccc(/C=C2/Cc3ccccc3C2=O)c1)C(=O)[O-] ZINC000096291702 431943922 /nfs/dbraw/zinc/94/39/22/431943922.db2.gz YXVWUYIRXPQPNN-ZENNRRHLSA-N -1 0 308.333 3.361 50 0 DGAARM Cc1cnc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)C2CC2)s1 ZINC000096479867 431952809 /nfs/dbraw/zinc/95/28/09/431952809.db2.gz CKXKTZJSIPPBQP-ZDUSSCGKSA-N -1 0 316.382 3.031 50 0 DGAARM CCCc1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000097036172 431956922 /nfs/dbraw/zinc/95/69/22/431956922.db2.gz VUMVLKFQRUURRL-UHFFFAOYSA-N -1 0 308.334 3.185 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000097035906 431957277 /nfs/dbraw/zinc/95/72/77/431957277.db2.gz SFKVXILLGUNWRQ-CHWSQXEVSA-N -1 0 319.382 3.076 50 0 DGAARM C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000097045106 431957731 /nfs/dbraw/zinc/95/77/31/431957731.db2.gz YRFKUHRSBMZFMI-CABCVRRESA-N -1 0 303.402 3.284 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097039525 431957765 /nfs/dbraw/zinc/95/77/65/431957765.db2.gz SZHIQMHPAWRCRO-MCIONIFRSA-N -1 0 321.442 3.263 50 0 DGAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)C2=CCCCC2)c1 ZINC000097288886 431967101 /nfs/dbraw/zinc/96/71/01/431967101.db2.gz UHTKISYECDOFLN-LLVKDONJSA-N -1 0 303.358 3.012 50 0 DGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2)c1=O ZINC000100498418 431982151 /nfs/dbraw/zinc/98/21/51/431982151.db2.gz MFDSDIBOIYEZDV-UHFFFAOYSA-N -1 0 322.364 3.369 50 0 DGAARM O=C([O-])c1coc(C(=O)NCC2(c3ccccc3Cl)CC2)c1 ZINC000191604622 432282486 /nfs/dbraw/zinc/28/24/86/432282486.db2.gz WGYWPGWEXAJRBH-UHFFFAOYSA-N -1 0 319.744 3.093 50 0 DGAARM CCc1cccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)c1 ZINC000102728872 431996925 /nfs/dbraw/zinc/99/69/25/431996925.db2.gz YVKUXUJWPVIFBO-FOCLMDBBSA-N -1 0 308.337 3.109 50 0 DGAARM COCc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000102681422 431997159 /nfs/dbraw/zinc/99/71/59/431997159.db2.gz LYENQBZMRHUHKX-UHFFFAOYSA-N -1 0 303.749 3.210 50 0 DGAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000128618037 431997809 /nfs/dbraw/zinc/99/78/09/431997809.db2.gz WVVTXIVEADVHGY-ZDUSSCGKSA-N -1 0 315.325 3.151 50 0 DGAARM CCn1cc(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000252474452 432375879 /nfs/dbraw/zinc/37/58/79/432375879.db2.gz FCEFCZWXKJYHJE-UHFFFAOYSA-N -1 0 306.753 3.091 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000252584837 432383507 /nfs/dbraw/zinc/38/35/07/432383507.db2.gz DCXCWXWFNSMODT-SQNIBIBYSA-N -1 0 323.392 3.267 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)N2CCc3ccccc3C2)[C@H](C(=O)[O-])C1 ZINC000006741146 281662662 /nfs/dbraw/zinc/66/26/62/281662662.db2.gz SKTDAYOABRBUAT-IAGOWNOFSA-N -1 0 313.397 3.019 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000262657053 432496685 /nfs/dbraw/zinc/49/66/85/432496685.db2.gz MTNPSZFUCKLDIS-AWEZNQCLSA-N -1 0 306.749 3.044 50 0 DGAARM CCCc1occc1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000262947757 432509901 /nfs/dbraw/zinc/50/99/01/432509901.db2.gz MQCRVYYUUSWOOD-UHFFFAOYSA-N -1 0 303.314 3.191 50 0 DGAARM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263554015 432556020 /nfs/dbraw/zinc/55/60/20/432556020.db2.gz XYUPZOOQQNGONR-ZOWXZIJZSA-N -1 0 305.374 3.037 50 0 DGAARM COc1cc(NC(=O)c2csc(C(C)C)n2)ccc1C(=O)[O-] ZINC000263029305 432513792 /nfs/dbraw/zinc/51/37/92/432513792.db2.gz UTPQATBZPNKBGK-UHFFFAOYSA-N -1 0 320.370 3.226 50 0 DGAARM CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263170324 432524593 /nfs/dbraw/zinc/52/45/93/432524593.db2.gz FUOAMPWRFSILGK-ZJUUUORDSA-N -1 0 311.765 3.178 50 0 DGAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000263305254 432533095 /nfs/dbraw/zinc/53/30/95/432533095.db2.gz OGZPWCJMMYUYKB-GFCCVEGCSA-N -1 0 323.801 3.173 50 0 DGAARM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221915823 432670067 /nfs/dbraw/zinc/67/00/67/432670067.db2.gz XCPPWAJVYGIIFP-MBACFSSFSA-N -1 0 314.341 3.131 50 0 DGAARM O=C(c1ccc2ccccc2c1O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000225509975 432693023 /nfs/dbraw/zinc/69/30/23/432693023.db2.gz SGLSNUDFAISXNJ-DLBZAZTESA-N -1 0 311.381 3.329 50 0 DGAARM CC[C@@H](C)Cc1c(C)sc2[nH]c(-c3ccncn3)nc(=O)c12 ZINC000225566349 432694370 /nfs/dbraw/zinc/69/43/70/432694370.db2.gz VZSNWAIHFPHMOM-SECBINFHSA-N -1 0 314.414 3.339 50 0 DGAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000238038899 432809779 /nfs/dbraw/zinc/80/97/79/432809779.db2.gz JWYIAEPNBBYIEW-KRWDZBQOSA-N -1 0 324.380 3.192 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)o1 ZINC000331505943 432945537 /nfs/dbraw/zinc/94/55/37/432945537.db2.gz SSJPCWGKONSPDJ-UHFFFAOYSA-N -1 0 320.414 3.113 50 0 DGAARM O=C([O-])c1ccc2c(c1)C[C@@H](COCc1ccc(F)cc1)O2 ZINC000498051079 435302503 /nfs/dbraw/zinc/30/25/03/435302503.db2.gz LHECRXMDTSKTDZ-HNNXBMFYSA-N -1 0 302.301 3.044 50 0 DGAARM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000237542646 300444575 /nfs/dbraw/zinc/44/45/75/300444575.db2.gz RMUSIMDATWIUKS-CMPLNLGQSA-N -1 0 317.316 3.135 50 0 DGAARM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000237573231 300528487 /nfs/dbraw/zinc/52/84/87/300528487.db2.gz RMUSIMDATWIUKS-JQWIXIFHSA-N -1 0 317.316 3.135 50 0 DGAARM O=C([O-])c1cccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)n1 ZINC000657204234 436091029 /nfs/dbraw/zinc/09/10/29/436091029.db2.gz GNXHCNQTKUNCSR-LLVKDONJSA-N -1 0 317.316 3.001 50 0 DGAARM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(Cl)cc1 ZINC000000476263 304767217 /nfs/dbraw/zinc/76/72/17/304767217.db2.gz LQMBTZMAYDAQHC-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 aggregator DGAARM Cc1ccc2[nH]c(=O)c(-c3nc(-c4ccccc4)no3)c([O-])c2c1 ZINC000065248629 301870704 /nfs/dbraw/zinc/87/07/04/301870704.db2.gz NRQNTGQGYCVHMZ-UHFFFAOYSA-N -1 0 319.320 3.259 50 0 DGAARM Cc1cccc(C)c1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100602450 301975794 /nfs/dbraw/zinc/97/57/94/301975794.db2.gz RWTOPDJMQIXISG-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000299746431 302158783 /nfs/dbraw/zinc/15/87/83/302158783.db2.gz XHVNIKYKQJUIMJ-XIRDDKMYSA-N -1 0 315.413 3.344 50 0 DGAARM Cc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000035534057 302168901 /nfs/dbraw/zinc/16/89/01/302168901.db2.gz QWSDKECXUGMZES-UONOGXRCSA-N -1 0 305.374 3.378 50 0 DGAARM Cc1nc2c3ccccc3oc2c(N2CCCC[C@H]2C(=O)[O-])n1 ZINC000005278221 302658727 /nfs/dbraw/zinc/65/87/27/302658727.db2.gz YJUCOSVGAORSMJ-LBPRGKRZSA-N -1 0 311.341 3.128 50 0 DGAARM CC(C)(C)S(=O)(=O)c1ccc(-c2ccccc2C(=O)[O-])cn1 ZINC000577853873 316277420 /nfs/dbraw/zinc/27/74/20/316277420.db2.gz XYGNMFHARQPTIK-UHFFFAOYSA-N -1 0 319.382 3.019 50 0 DGAARM CCO[C@@H](C)c1ccc(-c2c(C)nn(CC(=O)[O-])c2C)cc1 ZINC000534584922 334291615 /nfs/dbraw/zinc/29/16/15/334291615.db2.gz YLAXSIVSWYZKOS-ZDUSSCGKSA-N -1 0 302.374 3.349 50 0 DGAARM Cc1c[nH]cc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262421811 546340565 /nfs/dbraw/zinc/34/05/65/546340565.db2.gz QGVUEGGYHFBHNU-UHFFFAOYSA-N -1 0 302.330 3.061 50 0 DGAARM Cc1noc(C)c1C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000170045539 575284411 /nfs/dbraw/zinc/28/44/11/575284411.db2.gz RHSVZYFJCLSRDN-SNVBAGLBSA-N -1 0 316.357 3.115 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000000093891 658238981 /nfs/dbraw/zinc/23/89/81/658238981.db2.gz GLEMCRZXGDZSQS-UHFFFAOYSA-N -1 0 323.304 3.052 50 0 DGAARM CC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1CC(C)C ZINC001505840738 1186146954 /nfs/dbraw/zinc/14/69/54/1186146954.db2.gz YDIFCVPDLGJGPX-HOTGVXAUSA-N -1 0 314.385 3.113 50 0 DGAARM CN(Cc1nc(C(=O)[O-])co1)C[C@]1(c2ccccc2)CC1(C)C ZINC001529106414 1187533309 /nfs/dbraw/zinc/53/33/09/1187533309.db2.gz OIUOMSKCXQPRCY-SFHVURJKSA-N -1 0 314.385 3.173 50 0 DGAARM COc1ccc(-c2nc(C(=O)[O-])c[nH]2)cc1OC1CCCC1 ZINC000078811240 1196795095 /nfs/dbraw/zinc/79/50/95/1196795095.db2.gz JURXRHZFSZFYCA-UHFFFAOYSA-N -1 0 302.330 3.105 50 0 DGAARM CCC(CC)C(=O)N=c1nc(-c2cccnc2Cl)[n-]s1 ZINC000585130469 1095030432 /nfs/dbraw/zinc/03/04/32/1095030432.db2.gz QVZMLTDPLVTVPW-UHFFFAOYSA-N -1 0 310.810 3.050 50 0 DGAARM CC(C)(C(=O)[O-])[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000082164732 185174450 /nfs/dbraw/zinc/17/44/50/185174450.db2.gz KXIZDHAFHFEPOU-MRXNPFEDSA-N -1 0 300.354 3.410 50 0 DGAARM COc1c(F)c(NCc2ccccc2)c(F)c(OC)c1C(=O)[O-] ZINC000090515741 185300058 /nfs/dbraw/zinc/30/00/58/185300058.db2.gz WJARTJXTFKFRFB-UHFFFAOYSA-N -1 0 323.295 3.292 50 0 DGAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2csc(C)n2)cc1C ZINC000095391926 185351987 /nfs/dbraw/zinc/35/19/87/185351987.db2.gz ZMLIZBOAFOSGFN-OAHLLOKOSA-N -1 0 320.414 3.026 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2cc[nH]c21 ZINC000097002846 185396311 /nfs/dbraw/zinc/39/63/11/185396311.db2.gz VKFYKSJGFTWMBI-UHFFFAOYSA-N -1 0 308.337 3.138 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000097017700 185397705 /nfs/dbraw/zinc/39/77/05/185397705.db2.gz QSQNCANRPDTXRY-UHFFFAOYSA-N -1 0 322.364 3.115 50 0 DGAARM Cc1ccsc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000097018279 185397706 /nfs/dbraw/zinc/39/77/06/185397706.db2.gz HIUGRFSOYAYGNS-AAEUAGOBSA-N -1 0 303.383 3.248 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)CCc2cccs2)cc1 ZINC000097018932 185397949 /nfs/dbraw/zinc/39/79/49/185397949.db2.gz KKJUMGWNKFZESX-UHFFFAOYSA-N -1 0 303.383 3.337 50 0 DGAARM CC(C)(CC(=O)Nc1cccc(Oc2ccncc2)c1)C(=O)[O-] ZINC000084325854 192423682 /nfs/dbraw/zinc/42/36/82/192423682.db2.gz HLZVOKZWVMEQGY-UHFFFAOYSA-N -1 0 314.341 3.313 50 0 DGAARM CCOc1ccc(-c2ccnc(-c3cccnc3)n2)cc1C(=O)[O-] ZINC000071736058 191019457 /nfs/dbraw/zinc/01/94/57/191019457.db2.gz QYCKEMQQCLBUJQ-UHFFFAOYSA-N -1 0 321.336 3.303 50 0 DGAARM CNc1cc(-c2ccccc2O[C@H](C)C(=O)[O-])c2cc[nH]c2n1 ZINC000072138715 191048214 /nfs/dbraw/zinc/04/82/14/191048214.db2.gz QNNNHKQUOSCURX-SNVBAGLBSA-N -1 0 311.341 3.124 50 0 DGAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000140151992 186025125 /nfs/dbraw/zinc/02/51/25/186025125.db2.gz BDLDVMZWIHUIMJ-VXGBXAGGSA-N -1 0 316.382 3.250 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nccs1 ZINC000072414557 191156073 /nfs/dbraw/zinc/15/60/73/191156073.db2.gz COYGCWMNURFJBN-UHFFFAOYSA-N -1 0 312.416 3.076 50 0 DGAARM Cn1ccc2c1nccc2-c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000072423914 191159948 /nfs/dbraw/zinc/15/99/48/191159948.db2.gz MVEFEZPTUJQQCS-UHFFFAOYSA-N -1 0 308.337 3.288 50 0 DGAARM Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC000000144558 180707201 /nfs/dbraw/zinc/70/72/01/180707201.db2.gz MTNBTZPFNKBTGD-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM CC1(C)C[C@H](c2nccn2Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000072458988 191173085 /nfs/dbraw/zinc/17/30/85/191173085.db2.gz DSEMIBWGNVRZBP-OAHLLOKOSA-N -1 0 314.385 3.302 50 0 DGAARM CCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)[O-])cc1 ZINC000002262362 180917137 /nfs/dbraw/zinc/91/71/37/180917137.db2.gz FKJFCCRUAKPMGB-OAHLLOKOSA-N -1 0 307.390 3.239 50 0 DGAARM CCCCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002090435 180910264 /nfs/dbraw/zinc/91/02/64/180910264.db2.gz AEPPTRQSNRNDPG-HNNXBMFYSA-N -1 0 307.390 3.095 50 0 biogenic DGAARM CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002560685 180935174 /nfs/dbraw/zinc/93/51/74/180935174.db2.gz GVKQCRRZMAVASQ-GFCCVEGCSA-N -1 0 313.781 3.203 50 0 DGAARM Cc1ccc(N2C(=O)C[C@H](C(=O)[O-])[C@H]2c2cccs2)cc1 ZINC000003888163 181052843 /nfs/dbraw/zinc/05/28/43/181052843.db2.gz PRTGINCKDPPNSZ-WFASDCNBSA-N -1 0 301.367 3.235 50 0 DGAARM COCCn1c(=O)c2c(-c3ccccc3)csc2[n-]c1=S ZINC000003887599 181052881 /nfs/dbraw/zinc/05/28/81/181052881.db2.gz NCWXSSXMHIBWII-UHFFFAOYSA-N -1 0 318.423 3.060 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Cl ZINC000003991868 181060698 /nfs/dbraw/zinc/06/06/98/181060698.db2.gz DEJKXKUCJSFDJN-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1oc2c(cc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c1C ZINC000004042658 181066856 /nfs/dbraw/zinc/06/68/56/181066856.db2.gz OWRHVCAKIFIAHT-UHFFFAOYSA-N -1 0 300.310 3.400 50 0 biogenic DGAARM COCCn1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S ZINC000004200395 181084578 /nfs/dbraw/zinc/08/45/78/181084578.db2.gz UCBROJXZHIENMP-UHFFFAOYSA-N -1 0 318.423 3.060 50 0 DGAARM COc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000004201498 181084738 /nfs/dbraw/zinc/08/47/38/181084738.db2.gz UFNAEXIQCXGJQL-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM O=C([O-])c1cccnc1SCc1cc2c(cc1Cl)OCO2 ZINC000004393387 181106708 /nfs/dbraw/zinc/10/67/08/181106708.db2.gz DNRCKFZSWLAKSS-UHFFFAOYSA-N -1 0 323.757 3.454 50 0 DGAARM C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004600136 181129081 /nfs/dbraw/zinc/12/90/81/181129081.db2.gz JKMKFVJLYBZSHJ-BMFZPTHFSA-N -1 0 303.402 3.015 50 0 DGAARM CCCCOc1ccc(CC(=O)NCCCCCC(=O)[O-])cc1 ZINC000004729911 181143914 /nfs/dbraw/zinc/14/39/14/181143914.db2.gz HUEJQWKKPQHFJZ-UHFFFAOYSA-N -1 0 321.417 3.169 50 0 DGAARM Cc1ccc(NC(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000004826792 181158198 /nfs/dbraw/zinc/15/81/98/181158198.db2.gz TVXRXYVFOWRZNN-UHFFFAOYSA-N -1 0 324.130 3.301 50 0 DGAARM CC(C)Oc1cc(-n2nn[n-]c2=S)c(Cl)cc1Cl ZINC000005384522 181237300 /nfs/dbraw/zinc/23/73/00/181237300.db2.gz WMLNYMRAQDNGKX-UHFFFAOYSA-N -1 0 305.190 3.045 50 0 DGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])c(Cl)cc12 ZINC000005423617 181242453 /nfs/dbraw/zinc/24/24/53/181242453.db2.gz MGULNSAVHAUNKV-MRVPVSSYSA-N -1 0 310.733 3.251 50 0 DGAARM CC[C@H](C)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450811 181244654 /nfs/dbraw/zinc/24/46/54/181244654.db2.gz CRIBHMPKLWFZLL-SJCJKPOMSA-N -1 0 316.401 3.106 50 0 DGAARM C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000005603625 181263227 /nfs/dbraw/zinc/26/32/27/181263227.db2.gz ZIPFLVNUPROOQC-MUKKUYKPSA-N -1 0 317.429 3.261 50 0 DGAARM O=S(=O)([N-]c1ccncc1)c1cccc(Cl)c1Cl ZINC000005881803 181292624 /nfs/dbraw/zinc/29/26/24/181292624.db2.gz AJJOLLIKJVHBCY-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM O=C([O-])Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000005895632 181293811 /nfs/dbraw/zinc/29/38/11/181293811.db2.gz CIQSIKFBFXROON-UHFFFAOYSA-N -1 0 311.750 3.068 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@@H]3CC[C@@H](C(=O)[O-])C3)sc2c1 ZINC000170625933 432074371 /nfs/dbraw/zinc/07/43/71/432074371.db2.gz VJOFKKSQZJAAHE-NXEZZACHSA-N -1 0 304.371 3.044 50 0 DGAARM CC(=O)c1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000170653512 432075333 /nfs/dbraw/zinc/07/53/33/432075333.db2.gz KDNUFDQLGZFUJU-UHFFFAOYSA-N -1 0 318.373 3.188 50 0 DGAARM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(F)c1 ZINC000237328054 202232790 /nfs/dbraw/zinc/23/27/90/202232790.db2.gz HISWXNYNUYAARO-UONOGXRCSA-N -1 0 321.392 3.423 50 0 DGAARM Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000237407352 202257107 /nfs/dbraw/zinc/25/71/07/202257107.db2.gz RRZVGTHEQADICR-GJZGRUSLSA-N -1 0 303.402 3.202 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C)ccc2C)cc1 ZINC000005929655 181297144 /nfs/dbraw/zinc/29/71/44/181297144.db2.gz WGCGJRDZKPCPHC-UHFFFAOYSA-N -1 0 318.398 3.122 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cccc2cc[nH]c21)c1cccs1 ZINC000097002854 304082021 /nfs/dbraw/zinc/08/20/21/304082021.db2.gz IFUHSXAOGHUTQP-LBPRGKRZSA-N -1 0 314.366 3.175 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000237933710 202396987 /nfs/dbraw/zinc/39/69/87/202396987.db2.gz AASGPNVYTRGPSG-XHSDSOJGSA-N -1 0 319.376 3.175 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)s1 ZINC000238001503 202416728 /nfs/dbraw/zinc/41/67/28/202416728.db2.gz KQFLJLIPVYMFMV-CYBMUJFWSA-N -1 0 315.394 3.151 50 0 DGAARM CCc1cccc(CC)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006125536 181314607 /nfs/dbraw/zinc/31/46/07/181314607.db2.gz OYCVZLJRWLWZNI-GJZGRUSLSA-N -1 0 301.386 3.417 50 0 DGAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000008274425 304103681 /nfs/dbraw/zinc/10/36/81/304103681.db2.gz JLUASDQBDSOCRJ-LBPRGKRZSA-N -1 0 307.415 3.096 50 0 DGAARM CC1=C(C)C[C@H](C(=O)NCCCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000006395168 181337352 /nfs/dbraw/zinc/33/73/52/181337352.db2.gz AAOHSDNOBNQFDT-DLBZAZTESA-N -1 0 315.413 3.183 50 0 DGAARM COCCCn1c(=O)c2c([n-]c1=S)sc1c2CCCC1 ZINC000006497781 181346648 /nfs/dbraw/zinc/34/66/48/181346648.db2.gz XCYLWUWLERJBHD-UHFFFAOYSA-N -1 0 310.444 3.036 50 0 DGAARM O=C([O-])c1ccc(SCC(=O)Nc2cccc(Cl)c2)nc1 ZINC000006811571 181393702 /nfs/dbraw/zinc/39/37/02/181393702.db2.gz DCQYQBZFKGSTGA-UHFFFAOYSA-N -1 0 322.773 3.164 50 0 DGAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2F)C1 ZINC000091663218 193086581 /nfs/dbraw/zinc/08/65/81/193086581.db2.gz RDPPIJVVSUGICE-SFHVURJKSA-N -1 0 319.376 3.489 50 0 DGAARM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000450545688 240759382 /nfs/dbraw/zinc/75/93/82/240759382.db2.gz ZXZHANDJCXBOIK-CQSZACIVSA-N -1 0 311.381 3.396 50 0 DGAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1cc(F)c(Cl)cc1Cl ZINC000262150947 203212958 /nfs/dbraw/zinc/21/29/58/203212958.db2.gz APVZAIWSMWVOPU-ZCFIWIBFSA-N -1 0 320.147 3.175 50 0 DGAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(-c3ncco3)c2)CC1 ZINC000262984797 203424799 /nfs/dbraw/zinc/42/47/99/203424799.db2.gz URBJIVJLFIRMAK-HAQNSBGRSA-N -1 0 314.341 3.171 50 0 DGAARM O=C([O-])/C=C/c1cc(F)c(Br)c(Br)c1 ZINC000263623069 203486643 /nfs/dbraw/zinc/48/66/43/203486643.db2.gz DKTHESGFFAIQAD-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cn1 ZINC000095382750 193440983 /nfs/dbraw/zinc/44/09/83/193440983.db2.gz QKNHMZQTCSZFEA-KRWDZBQOSA-N -1 0 324.380 3.108 50 0 DGAARM Cc1ccc(-c2csc3ncnc(NCC(=O)[O-])c23)cc1C ZINC000011990471 181721922 /nfs/dbraw/zinc/72/19/22/181721922.db2.gz LCBKDENAWVUZIS-UHFFFAOYSA-N -1 0 313.382 3.472 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2s1 ZINC000013249543 181838890 /nfs/dbraw/zinc/83/88/90/181838890.db2.gz WYPPNVQEWMDKRP-VXGBXAGGSA-N -1 0 316.382 3.210 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000013166270 181835257 /nfs/dbraw/zinc/83/52/57/181835257.db2.gz GDUVSFYMYUTWRP-UHFFFAOYSA-N -1 0 307.708 3.107 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000013171284 181836553 /nfs/dbraw/zinc/83/65/53/181836553.db2.gz BFVQWBBJCYLVQM-LBPRGKRZSA-N -1 0 317.316 3.023 50 0 DGAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Cl)nc1 ZINC000016101207 182034099 /nfs/dbraw/zinc/03/40/99/182034099.db2.gz NAPDAWLRIRATES-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM COCCn1c(=O)c2c([n-]c1=S)sc1c2CCCCCC1 ZINC000017066515 182073868 /nfs/dbraw/zinc/07/38/68/182073868.db2.gz RFBMAOZIPJWNMO-UHFFFAOYSA-N -1 0 324.471 3.052 50 0 DGAARM Cc1ccccc1N(CC(=O)[O-])C(=O)c1cccc(Cl)c1 ZINC000020230962 182199771 /nfs/dbraw/zinc/19/97/71/182199771.db2.gz NDMHFQQLMFJTKP-UHFFFAOYSA-N -1 0 303.745 3.380 50 0 DGAARM O=C([O-])CCCCCNC(=O)c1cc2c(s1)CCCCC2 ZINC000021012209 182260246 /nfs/dbraw/zinc/26/02/46/182260246.db2.gz LIMVKTHOUJTJNQ-UHFFFAOYSA-N -1 0 309.431 3.392 50 0 DGAARM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000021014592 182261019 /nfs/dbraw/zinc/26/10/19/182261019.db2.gz XJNVWXWMBHFBSC-ZDUSSCGKSA-N -1 0 307.708 3.035 50 0 DGAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000022008679 182303976 /nfs/dbraw/zinc/30/39/76/182303976.db2.gz MJXIPHMGYJXKLJ-MLGOENBGSA-N -1 0 319.445 3.208 50 0 DGAARM Cc1ccc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)cc1 ZINC000024543486 182383493 /nfs/dbraw/zinc/38/34/93/182383493.db2.gz IRANTONVAZNUMY-ZHACJKMWSA-N -1 0 304.353 3.305 50 0 DGAARM CCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000024577042 182383945 /nfs/dbraw/zinc/38/39/45/182383945.db2.gz MIAVBUAWSNPLQX-UHFFFAOYSA-N -1 0 320.201 3.011 50 0 DGAARM O=C([O-])C1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000037561254 182908261 /nfs/dbraw/zinc/90/82/61/182908261.db2.gz OSIVSBOYXNPLBS-UHFFFAOYSA-N -1 0 316.184 3.367 50 0 DGAARM O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccsc2)C1 ZINC000180322473 304202670 /nfs/dbraw/zinc/20/26/70/304202670.db2.gz RVIPYTVVWGLLIC-CABCVRRESA-N -1 0 315.394 3.079 50 0 DGAARM CCc1cc2c(nc(-c3ccccc3)nc2NCC(=O)[O-])s1 ZINC000041090415 183163668 /nfs/dbraw/zinc/16/36/68/183163668.db2.gz PRAITNLAVQOQEP-UHFFFAOYSA-N -1 0 313.382 3.417 50 0 DGAARM Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)c(C(=O)[O-])c1 ZINC000042122717 183234258 /nfs/dbraw/zinc/23/42/58/183234258.db2.gz KWAGWJTWVHBWAE-MDZDMXLPSA-N -1 0 317.366 3.106 50 0 DGAARM Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000042652976 183294874 /nfs/dbraw/zinc/29/48/74/183294874.db2.gz XGFQMDJYJHPWLB-ZHACJKMWSA-N -1 0 317.366 3.106 50 0 DGAARM CCCC(=O)Nc1c(Br)cc(C)cc1C(=O)[O-] ZINC000044965664 183467542 /nfs/dbraw/zinc/46/75/42/183467542.db2.gz NEQLMJNWWCMVEB-UHFFFAOYSA-N -1 0 300.152 3.194 50 0 DGAARM O=C([O-])c1cc(-c2ccccc2)nc2cc(C(F)(F)F)nn21 ZINC000012396946 304219634 /nfs/dbraw/zinc/21/96/34/304219634.db2.gz BCNJFBQUQFDERF-UHFFFAOYSA-N -1 0 307.231 3.113 50 0 DGAARM O=C([O-])c1cc(Cl)c(I)c(Cl)c1 ZINC000045919841 304224237 /nfs/dbraw/zinc/22/42/37/304224237.db2.gz QNSGDQZRDPAUTG-UHFFFAOYSA-N -1 0 316.909 3.296 50 0 DGAARM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cc(F)ccc1F ZINC000109941341 194299971 /nfs/dbraw/zinc/29/99/71/194299971.db2.gz SPUJRCICGOPXBM-UHFFFAOYSA-N -1 0 308.309 3.247 50 0 DGAARM Cc1ccc2[nH]c(C(=O)NC3CCC(C(=O)[O-])CC3)cc2c1C ZINC000268936512 207102013 /nfs/dbraw/zinc/10/20/13/207102013.db2.gz OADGTDVAMSJBGT-UHFFFAOYSA-N -1 0 314.385 3.158 50 0 DGAARM CC(C)[C@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000062742114 184252241 /nfs/dbraw/zinc/25/22/41/184252241.db2.gz FMAYYYLDAXYSFK-JTQLQIEISA-N -1 0 313.279 3.170 50 0 DGAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC000063021280 184267524 /nfs/dbraw/zinc/26/75/24/184267524.db2.gz KSOMJBHILWVEMC-LBPRGKRZSA-N -1 0 309.793 3.365 50 0 DGAARM Cc1cccc(C2(C(=O)NCc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000344411243 254267803 /nfs/dbraw/zinc/26/78/03/254267803.db2.gz RSWABNRPZBAMGY-UHFFFAOYSA-N -1 0 309.365 3.041 50 0 DGAARM CCOc1ccc(OCCSc2ncccc2C(=O)[O-])cc1 ZINC000012778949 257254026 /nfs/dbraw/zinc/25/40/26/257254026.db2.gz JOHOMZGKGRCPAW-UHFFFAOYSA-N -1 0 319.382 3.350 50 0 DGAARM O=C(Cc1nc2ccccc2[nH]1)c1cc(Cl)c([O-])cc1O ZINC000000388786 257266557 /nfs/dbraw/zinc/26/65/57/257266557.db2.gz MNCIZPZBNBYWQW-UHFFFAOYSA-N -1 0 302.717 3.053 50 0 DGAARM O=C(CC1(O)CCCCC1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121110083 195294929 /nfs/dbraw/zinc/29/49/29/195294929.db2.gz PLMUMLRMXNNSGV-UHFFFAOYSA-N -1 0 306.387 3.140 50 0 DGAARM Cc1ccc(-c2csc3[n-]c(-c4ncccn4)nc(=O)c23)cc1 ZINC000054752591 292030800 /nfs/dbraw/zinc/03/08/00/292030800.db2.gz DPYDTHFZWBWHCH-UHFFFAOYSA-N -1 0 320.377 3.417 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000314707688 400140401 /nfs/dbraw/zinc/14/04/01/400140401.db2.gz NJMCWSWJPBESRN-MVWJERBFSA-N -1 0 311.328 3.033 50 0 DGAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000032971368 400377445 /nfs/dbraw/zinc/37/74/45/400377445.db2.gz BJWAQBRJTZYRPN-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c([O-])cccc1F)CCC2 ZINC000124080585 400473494 /nfs/dbraw/zinc/47/34/94/400473494.db2.gz ZMEMJJGYABOJKP-LBPRGKRZSA-N -1 0 320.389 3.446 50 0 DGAARM O=c1[nH]c2ccccc2c([O-])c1-c1nc(-c2cccs2)no1 ZINC000075536641 400592650 /nfs/dbraw/zinc/59/26/50/400592650.db2.gz RSFAKBFVTAAQHA-UHFFFAOYSA-N -1 0 311.322 3.012 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC000209933068 400942889 /nfs/dbraw/zinc/94/28/89/400942889.db2.gz VYMSTISZOFZGCY-TZMCWYRMSA-N -1 0 323.364 3.078 50 0 DGAARM CC(C)(C)c1ncc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cn1 ZINC000606444308 400913041 /nfs/dbraw/zinc/91/30/41/400913041.db2.gz CKQGRWMCRPJEKB-PEPZGXQESA-N -1 0 315.398 3.499 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000237449186 400989434 /nfs/dbraw/zinc/98/94/34/400989434.db2.gz NJMCWSWJPBESRN-WCQGTBRESA-N -1 0 311.328 3.033 50 0 DGAARM Cn1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc2ccccc21 ZINC000237711540 400992765 /nfs/dbraw/zinc/99/27/65/400992765.db2.gz KWTJIDJHNYPNJX-AWEZNQCLSA-N -1 0 314.385 3.038 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)CC2CCC(F)(F)CC2)c1 ZINC000630133418 401196443 /nfs/dbraw/zinc/19/64/43/401196443.db2.gz FTQMXCRMQIBOCK-UHFFFAOYSA-N -1 0 311.328 3.217 50 0 DGAARM O=C([O-])c1ccc(C(=O)N[C@H](c2cccs2)C2CC2)c(F)c1 ZINC000262393906 165800935 /nfs/dbraw/zinc/80/09/35/165800935.db2.gz NDHIAXGYTMPFHW-AWEZNQCLSA-N -1 0 319.357 3.467 50 0 DGAARM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262940914 165825096 /nfs/dbraw/zinc/82/50/96/165825096.db2.gz LJCKRBIMCDBWNZ-SMDDNHRTSA-N -1 0 322.405 3.031 50 0 DGAARM CSCc1cccc(S(=O)(=O)[N-]c2ncc(C)s2)c1 ZINC000072240355 426010835 /nfs/dbraw/zinc/01/08/35/426010835.db2.gz LXEVKICGAFTGCR-UHFFFAOYSA-N -1 0 314.457 3.115 50 0 DGAARM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1nccs1 ZINC000095995754 426386211 /nfs/dbraw/zinc/38/62/11/426386211.db2.gz AGKJCVSHSYAVDP-UHFFFAOYSA-N -1 0 323.226 3.392 50 0 DGAARM CC[C@]1(C)Cc2ccccc2-c2[nH]c3n[n-]c(=S)n3c(=O)c21 ZINC000102910502 276680059 /nfs/dbraw/zinc/68/00/59/276680059.db2.gz MQPXLMOBBCTTHV-MRXNPFEDSA-N -1 0 312.398 3.009 50 0 DGAARM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000441541 277090006 /nfs/dbraw/zinc/09/00/06/277090006.db2.gz BLACZEARDIYHPF-UHFFFAOYSA-N -1 0 324.789 3.099 50 0 DGAARM CC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000239402541 288024147 /nfs/dbraw/zinc/02/41/47/288024147.db2.gz QTSNAOXHHDBVOD-XHSDSOJGSA-N -1 0 301.386 3.229 50 0 DGAARM CC(C)(C(=O)[O-])[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000082164733 278278502 /nfs/dbraw/zinc/27/85/02/278278502.db2.gz KXIZDHAFHFEPOU-INIZCTEOSA-N -1 0 300.354 3.410 50 0 DGAARM CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000039951946 278294395 /nfs/dbraw/zinc/29/43/95/278294395.db2.gz NAOQMMQCVVKTEJ-UHFFFAOYSA-N -1 0 300.152 3.132 50 0 DGAARM CC(C)(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070271587 278340241 /nfs/dbraw/zinc/34/02/41/278340241.db2.gz OCIIVILFDNJYOS-NOZJJQNGSA-N -1 0 313.756 3.252 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000035571149 278394487 /nfs/dbraw/zinc/39/44/87/278394487.db2.gz RJSXGIUXOYNBAE-KGLIPLIRSA-N -1 0 305.374 3.254 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](C(=O)[O-])C1 ZINC000044135861 278405330 /nfs/dbraw/zinc/40/53/30/278405330.db2.gz GJOKRYFZGOEKMG-KBPBESRZSA-N -1 0 323.364 3.251 50 0 DGAARM O=C([O-])c1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000098226 431126703 /nfs/dbraw/zinc/12/67/03/431126703.db2.gz LXSDGQYDSDIUPN-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 in-vivo DGAARM CC[C@@H](C)[C@@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000000090345 431122601 /nfs/dbraw/zinc/12/26/01/431122601.db2.gz DQXLHGIEOPHCII-PRHODGIISA-N -1 0 305.403 3.091 50 0 DGAARM Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)[O-])c(=O)c23)cc1 ZINC000000098471 431124945 /nfs/dbraw/zinc/12/49/45/431124945.db2.gz KMMVRUHCRDJKEY-JTQLQIEISA-N -1 0 314.366 3.079 50 0 DGAARM O=C([N-]C(=O)C(F)(F)F)Oc1ccc(Cl)cc1Cl ZINC000000108012 431124995 /nfs/dbraw/zinc/12/49/95/431124995.db2.gz USQDGNSQQSDPFM-UHFFFAOYSA-N -1 0 302.035 3.171 50 0 DGAARM C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069117602 431165953 /nfs/dbraw/zinc/16/59/53/431165953.db2.gz ZPZHRWPQEYHHHS-JOYOIKCWSA-N -1 0 317.414 3.306 50 0 DGAARM CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)[O-] ZINC000000400393 431175238 /nfs/dbraw/zinc/17/52/38/431175238.db2.gz URYHZOOIDDGVTP-ZGUYJTEBSA-N -1 0 322.360 3.158 50 0 DGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)n1 ZINC000000470550 431190976 /nfs/dbraw/zinc/19/09/76/431190976.db2.gz ORYZPHVBBTVPKE-UHFFFAOYSA-N -1 0 319.430 3.093 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000000256392 431152975 /nfs/dbraw/zinc/15/29/75/431152975.db2.gz AHNKJLFHBVAVDT-UHFFFAOYSA-N -1 0 305.399 3.449 50 0 DGAARM Cc1c(NC(=O)c2ccc(Br)o2)cccc1C(=O)[O-] ZINC000000613729 431204802 /nfs/dbraw/zinc/20/48/02/431204802.db2.gz DEQCEMWHNABHKA-UHFFFAOYSA-N -1 0 324.130 3.301 50 0 DGAARM CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(Cl)c(C)c2)N1 ZINC000000802031 431206882 /nfs/dbraw/zinc/20/68/82/431206882.db2.gz HHKPHXPRFAWSIG-LBPRGKRZSA-N -1 0 320.698 3.121 50 0 DGAARM CSc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1 ZINC000001274134 431215463 /nfs/dbraw/zinc/21/54/63/431215463.db2.gz VPVLYMDRJUFCCS-YRNVUSSQSA-N -1 0 307.400 3.053 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000001470740 431228116 /nfs/dbraw/zinc/22/81/16/431228116.db2.gz JQCNVNTWSJOMGP-CQSZACIVSA-N -1 0 321.735 3.425 50 0 DGAARM Cc1cc(Oc2ccc(N)cc2S(=O)(=O)[O-])ccc1Cl ZINC000002149881 431245263 /nfs/dbraw/zinc/24/52/63/431245263.db2.gz DMDSZKLQAYEFKT-UHFFFAOYSA-N -1 0 313.762 3.270 50 0 DGAARM CCCCOc1ccc(C=C2SC(=O)NC2=O)cc1OC ZINC000002169544 431246611 /nfs/dbraw/zinc/24/66/11/431246611.db2.gz VPKFRJCWFUPRIH-UKTHLTGXSA-N -1 0 307.371 3.198 50 0 DGAARM O=C([O-])C[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000003121465 431285268 /nfs/dbraw/zinc/28/52/68/431285268.db2.gz WHDVSHRTSIEYRK-HNNXBMFYSA-N -1 0 317.772 3.215 50 0 DGAARM Cc1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000003320952 431290480 /nfs/dbraw/zinc/29/04/80/431290480.db2.gz AIXFIEKUGNCLKZ-UHFFFAOYSA-N -1 0 310.425 3.467 50 0 DGAARM O=C([O-])/C=C/c1cc(Br)cc(OC(F)(F)F)c1 ZINC000071867266 431301720 /nfs/dbraw/zinc/30/17/20/431301720.db2.gz XYTPGFWRUNQUGF-OWOJBTEDSA-N -1 0 311.053 3.446 50 0 DGAARM O=C([O-])CCCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002811171 431269352 /nfs/dbraw/zinc/26/93/52/431269352.db2.gz DKXYVAJHUOXBJI-UHFFFAOYSA-N -1 0 311.381 3.470 50 0 DGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000071288155 431275716 /nfs/dbraw/zinc/27/57/16/431275716.db2.gz UHLOOCBRNCBVDR-NXEZZACHSA-N -1 0 322.411 3.167 50 0 DGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000006743541 431320075 /nfs/dbraw/zinc/32/00/75/431320075.db2.gz ZCIFLEUEBHZYDM-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000006884338 431321698 /nfs/dbraw/zinc/32/16/98/431321698.db2.gz FUPWHHXDOFSBKX-QGZVFWFLSA-N -1 0 311.381 3.044 50 0 DGAARM Cc1ccc(CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000006918533 431323826 /nfs/dbraw/zinc/32/38/26/431323826.db2.gz LMBDQNRGSDVYIA-UHFFFAOYSA-N -1 0 318.423 3.399 50 0 DGAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000006975276 431326828 /nfs/dbraw/zinc/32/68/28/431326828.db2.gz IRWSSSAUJGULPK-NSHDSACASA-N -1 0 321.446 3.351 50 0 DGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cccs2)CC1 ZINC000008429430 431398899 /nfs/dbraw/zinc/39/88/99/431398899.db2.gz LULGUHRXEZCYSE-UHFFFAOYSA-N -1 0 315.394 3.007 50 0 DGAARM O=c1[n-]c(Nc2ccccc2Cl)nnc1Cc1ccccc1 ZINC000008553688 431401189 /nfs/dbraw/zinc/40/11/89/431401189.db2.gz XODTWHZMLBTSKF-UHFFFAOYSA-N -1 0 312.760 3.153 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000010301856 431461230 /nfs/dbraw/zinc/46/12/30/431461230.db2.gz QZLHBHUGKNRJHP-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 ZINC000009306785 431428471 /nfs/dbraw/zinc/42/84/71/431428471.db2.gz CAWSWHYDMPHTKG-SNVBAGLBSA-N -1 0 304.321 3.099 50 0 DGAARM COc1ccc(-c2cc(=O)n3nc(-c4ccccc4)[n-]c3n2)cc1 ZINC000009419548 431432887 /nfs/dbraw/zinc/43/28/87/431432887.db2.gz YZUKJLOFJOCJFW-UHFFFAOYSA-N -1 0 318.336 3.173 50 0 DGAARM O=C([O-])[C@H](Cc1ccccc1)S[C@H]1OC(=O)c2ccccc21 ZINC000012274228 431500300 /nfs/dbraw/zinc/50/03/00/431500300.db2.gz MJYYBSOPSYZNSJ-WMLDXEAASA-N -1 0 314.362 3.285 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000012532590 431513842 /nfs/dbraw/zinc/51/38/42/431513842.db2.gz FTHRWPCZDLEKJO-UHFFFAOYSA-N -1 0 319.382 3.007 50 0 DGAARM CCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000013349113 431554290 /nfs/dbraw/zinc/55/42/90/431554290.db2.gz NKVQNBPIXDIBSD-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM O=C([O-])c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 ZINC000013442471 431554805 /nfs/dbraw/zinc/55/48/05/431554805.db2.gz KMBHMUTZYJRAJF-UHFFFAOYSA-N -1 0 321.735 3.150 50 0 DGAARM O=C([O-])C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000013427825 431555434 /nfs/dbraw/zinc/55/54/34/431555434.db2.gz MXNJJBNUQMQOQT-INIZCTEOSA-N -1 0 315.344 3.091 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000014097301 431579007 /nfs/dbraw/zinc/57/90/07/431579007.db2.gz CQXALDOWNRJHBN-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccccc3)c2C)o1 ZINC000089656132 431873483 /nfs/dbraw/zinc/87/34/83/431873483.db2.gz CANNRJCRNWQZLV-UHFFFAOYSA-N -1 0 317.370 3.087 50 0 DGAARM CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000044136959 431871597 /nfs/dbraw/zinc/87/15/97/431871597.db2.gz LCLGLPDRQJBJET-UHFFFAOYSA-N -1 0 316.357 3.159 50 0 DGAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000034143942 431820020 /nfs/dbraw/zinc/82/00/20/431820020.db2.gz FWLSZYCFYMQYSO-IAGOWNOFSA-N -1 0 309.365 3.460 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)c2cccc3ccccc32)c1 ZINC000095352024 431922986 /nfs/dbraw/zinc/92/29/86/431922986.db2.gz IDVMMFQWHICRTN-UHFFFAOYSA-N -1 0 305.333 3.468 50 0 DGAARM Cc1ccncc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095386784 431924195 /nfs/dbraw/zinc/92/41/95/431924195.db2.gz NGZZSSQHBWGHOZ-INIZCTEOSA-N -1 0 324.380 3.108 50 0 DGAARM CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000095955622 431928518 /nfs/dbraw/zinc/92/85/18/431928518.db2.gz KSCPGPNNAZSPNH-QGZVFWFLSA-N -1 0 309.365 3.073 50 0 DGAARM Cc1nc([C@H](C)NC(=O)CCc2ccsc2)sc1C(=O)[O-] ZINC000095997241 431933671 /nfs/dbraw/zinc/93/36/71/431933671.db2.gz QCXXZUKWGSCHOK-VIFPVBQESA-N -1 0 324.427 3.021 50 0 DGAARM Cc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)o1 ZINC000096313962 431944988 /nfs/dbraw/zinc/94/49/88/431944988.db2.gz PFNPKTTYYKJWNC-SREVYHEPSA-N -1 0 300.310 3.338 50 0 DGAARM CCOc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1OC ZINC000096402163 431945232 /nfs/dbraw/zinc/94/52/32/431945232.db2.gz JPNZDSCUVHTIGR-ALCCZGGFSA-N -1 0 305.355 3.419 50 0 DGAARM C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000097036804 431957047 /nfs/dbraw/zinc/95/70/47/431957047.db2.gz MJJCBCYVDLYBKP-NSHDSACASA-N -1 0 303.383 3.150 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)nn2)c1 ZINC000097117317 431962408 /nfs/dbraw/zinc/96/24/08/431962408.db2.gz GBEKBGRVATYXET-UHFFFAOYSA-N -1 0 319.430 3.192 50 0 DGAARM COCc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1ccc(C)cc1 ZINC000101622416 431986894 /nfs/dbraw/zinc/98/68/94/431986894.db2.gz PRMMFVICHPLOMY-UHFFFAOYSA-N -1 0 317.776 3.106 50 0 DGAARM COc1ccsc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000101856437 431989146 /nfs/dbraw/zinc/98/91/46/431989146.db2.gz IDUMCOKEOQQTBU-UHFFFAOYSA-N -1 0 320.395 3.106 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000252584836 432383104 /nfs/dbraw/zinc/38/31/04/432383104.db2.gz DCXCWXWFNSMODT-FGTMMUONSA-N -1 0 323.392 3.267 50 0 DGAARM CC(N=Nc1ccccc1C(=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000252676042 432386800 /nfs/dbraw/zinc/38/68/00/432386800.db2.gz VUVBGSNJHSGVMH-UHFFFAOYSA-N -1 0 323.352 3.106 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000261706348 432443055 /nfs/dbraw/zinc/44/30/55/432443055.db2.gz KMXJWCFBESRQEV-WMLDXEAASA-N -1 0 315.413 3.210 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1nccc2ccccc21 ZINC000261723324 432445001 /nfs/dbraw/zinc/44/50/01/432445001.db2.gz MDRJJLFZTHLCHQ-CQSZACIVSA-N -1 0 312.369 3.094 50 0 DGAARM C[C@H](CCC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263092413 432520172 /nfs/dbraw/zinc/52/01/72/432520172.db2.gz IANLLCUTJCJFPO-IUDNXUCKSA-N -1 0 303.402 3.330 50 0 DGAARM CC(C)COc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1Cl ZINC000154789066 432521162 /nfs/dbraw/zinc/52/11/62/432521162.db2.gz ZKAUMADZQKQSMW-UHFFFAOYSA-N -1 0 311.765 3.178 50 0 DGAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCc1cc(Cl)cs1 ZINC000263363151 432536054 /nfs/dbraw/zinc/53/60/54/432536054.db2.gz SLLJSXGLGFEZPY-BXKDBHETSA-N -1 0 315.822 3.046 50 0 DGAARM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000263362140 432536715 /nfs/dbraw/zinc/53/67/15/432536715.db2.gz URJWZRNEIFDLTP-OAHLLOKOSA-N -1 0 315.394 3.353 50 0 DGAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cnsn1 ZINC000156596664 432603201 /nfs/dbraw/zinc/60/32/01/432603201.db2.gz ZLCJUYRDUPBGDM-UHFFFAOYSA-N -1 0 324.576 3.456 50 0 DGAARM O=C(Cc1ccc(O)c(Cl)c1)NCCCC[C@@H]1CCCO1 ZINC000221405136 432668597 /nfs/dbraw/zinc/66/85/97/432668597.db2.gz FCKISBVJAYMIEM-CYBMUJFWSA-N -1 0 311.809 3.054 50 0 DGAARM O=C(OCc1ccc(Cl)cc1)c1n[nH]nc1-c1ccccc1 ZINC000225518168 432692536 /nfs/dbraw/zinc/69/25/36/432692536.db2.gz KBZFOKAUIUUYOK-UHFFFAOYSA-N -1 0 313.744 3.482 50 0 DGAARM CCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000101083950 288516128 /nfs/dbraw/zinc/51/61/28/288516128.db2.gz CCJAXXPAJAZANH-UHFFFAOYSA-N -1 0 307.275 3.271 50 0 DGAARM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nocc2C)c1 ZINC000225435350 432691544 /nfs/dbraw/zinc/69/15/44/432691544.db2.gz GDEQLTOGTVKHJG-UHFFFAOYSA-N -1 0 314.794 3.390 50 0 DGAARM CC[C@](C)(NC(=O)c1ccccc1)c1nc(C)c(C(=O)[O-])s1 ZINC000241588255 432817041 /nfs/dbraw/zinc/81/70/41/432817041.db2.gz PBISHFKJIKVRBG-INIZCTEOSA-N -1 0 318.398 3.205 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C/C=C/c2cccc(F)c2)C1 ZINC000237946155 432805525 /nfs/dbraw/zinc/80/55/25/432805525.db2.gz YHRLJSMJYRWGAQ-IJJSQOHJSA-N -1 0 319.376 3.332 50 0 DGAARM CCC[C@@H](NC(=O)c1ccc(O)cc1F)[C@H](O)c1ccccc1 ZINC000280528616 433072552 /nfs/dbraw/zinc/07/25/52/433072552.db2.gz JMECBDMPZYXBBA-IAGOWNOFSA-N -1 0 317.360 3.163 50 0 DGAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000009280551 289860205 /nfs/dbraw/zinc/86/02/05/289860205.db2.gz WKUUERJXUFDTNB-LSDHHAIUSA-N -1 0 315.756 3.335 50 0 DGAARM O=C([O-])CCNC(=O)N(Cc1ccccc1)CC1CCCCC1 ZINC000426552052 433528117 /nfs/dbraw/zinc/52/81/17/433528117.db2.gz RDSBHBCLEQQYJC-UHFFFAOYSA-N -1 0 318.417 3.253 50 0 DGAARM Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)[O-])n[nH]1 ZINC000067172533 293141053 /nfs/dbraw/zinc/14/10/53/293141053.db2.gz NICBEBXIHOSCRH-UHFFFAOYSA-N -1 0 303.318 3.346 50 0 DGAARM CCCc1n[n-]c(=NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)s1 ZINC000646186009 435806846 /nfs/dbraw/zinc/80/68/46/435806846.db2.gz ZNDKONSGEDUJKR-CYBMUJFWSA-N -1 0 320.462 3.121 50 0 DGAARM O=C([O-])C/C(=C/c1cc2n(n1)CCCC2)c1nc2ccccc2o1 ZINC000656103790 435889847 /nfs/dbraw/zinc/88/98/47/435889847.db2.gz ILFPVNNPEIZMIP-XFXZXTDPSA-N -1 0 323.352 3.376 50 0 DGAARM C[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC000653332798 436163323 /nfs/dbraw/zinc/16/33/23/436163323.db2.gz IFJBOVXNQQFIDF-NOXHYTERSA-N -1 0 301.386 3.242 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)o1 ZINC000095424078 301171697 /nfs/dbraw/zinc/17/16/97/301171697.db2.gz MTEABMDVZKUOED-CYBMUJFWSA-N -1 0 321.760 3.496 50 0 DGAARM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)o1 ZINC000013173095 301527631 /nfs/dbraw/zinc/52/76/31/301527631.db2.gz DKPKFWXQLUKGDV-LBPRGKRZSA-N -1 0 307.733 3.187 50 0 DGAARM Cc1sc(/C=C/c2cc(C(F)(F)F)nn2C)nc1C(=O)[O-] ZINC000663230565 436427414 /nfs/dbraw/zinc/42/74/14/436427414.db2.gz WERBWJMCCUCAOR-ONEGZZNKSA-N -1 0 317.292 3.072 50 0 DGAARM COCc1csc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000659160027 436469980 /nfs/dbraw/zinc/46/99/80/436469980.db2.gz FTIQYPLKDOZNEU-JTQLQIEISA-N -1 0 319.382 3.335 50 0 DGAARM Cc1cccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659196695 436475674 /nfs/dbraw/zinc/47/56/74/436475674.db2.gz XJALIQDLYMJLEK-IXDOHACOSA-N -1 0 315.413 3.029 50 0 DGAARM Cc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1ccco1 ZINC000048229500 302074539 /nfs/dbraw/zinc/07/45/39/302074539.db2.gz WYQTYGZWORBNJZ-UHFFFAOYSA-N -1 0 315.354 3.012 50 0 DGAARM Cc1ccccc1[C@@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000077470997 302146627 /nfs/dbraw/zinc/14/66/27/302146627.db2.gz VYAXUJWTXWEGSS-CQSZACIVSA-N -1 0 314.385 3.027 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000561924403 314987072 /nfs/dbraw/zinc/98/70/72/314987072.db2.gz LJWCIOCDJQCGJM-BGGTVIOKSA-N -1 0 319.376 3.332 50 0 DGAARM Cc1ccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)s1 ZINC000097235332 323210552 /nfs/dbraw/zinc/21/05/52/323210552.db2.gz XYVMZJWDHLETTE-MRVPVSSYSA-N -1 0 310.400 3.011 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000128547501 323212613 /nfs/dbraw/zinc/21/26/13/323212613.db2.gz MCYKGOUTRSDLQH-GFCCVEGCSA-N -1 0 315.325 3.009 50 0 DGAARM Cc1ccccc1C[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000004241371 331485344 /nfs/dbraw/zinc/48/53/44/331485344.db2.gz JRUUPMRYVHHJQL-HIFRSBDPSA-N -1 0 319.401 3.248 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(F)c2)C[C@H]1C(=O)[O-] ZINC000004241316 331485405 /nfs/dbraw/zinc/48/54/05/331485405.db2.gz FOHLSHFPNQQVND-OCCSQVGLSA-N -1 0 323.364 3.078 50 0 DGAARM COc1cc2c(cc1NC(=O)CCC(=O)[O-])oc1ccccc12 ZINC000006726697 333000325 /nfs/dbraw/zinc/00/03/25/333000325.db2.gz OZUTWDMYCDJOEG-UHFFFAOYSA-N -1 0 313.309 3.398 50 0 DGAARM CCOc1ncccc1-c1ccc(OC[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000534661189 334321663 /nfs/dbraw/zinc/32/16/63/334321663.db2.gz SJKSWRZORXXXRL-XJKSGUPXSA-N -1 0 313.353 3.247 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2nccc3ccccc32)c2ccccc21 ZINC000177481816 534538501 /nfs/dbraw/zinc/53/85/01/534538501.db2.gz VUSYZUNDAQTAIS-HNNXBMFYSA-N -1 0 318.332 3.063 50 0 DGAARM [O-]C(c1ccc2cccnc2c1O)(C(F)(F)F)C(F)(F)F ZINC000000032888 545643026 /nfs/dbraw/zinc/64/30/26/545643026.db2.gz NVPULETWJQONKB-UHFFFAOYSA-N -1 0 311.181 3.253 50 0 DGAARM N#C/C(=C/C=C/c1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000067647773 545706301 /nfs/dbraw/zinc/70/63/01/545706301.db2.gz NDSCBWGZBVPEFU-QNHPYRHSSA-N -1 0 308.293 3.080 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000092844438 545851511 /nfs/dbraw/zinc/85/15/11/545851511.db2.gz TZVCTNHRVWCITN-LPEHRKFASA-N -1 0 313.806 3.246 50 0 DGAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2cccc(F)c2o1 ZINC000170071364 546100195 /nfs/dbraw/zinc/10/01/95/546100195.db2.gz LHURJGKNCVUJLL-LLVKDONJSA-N -1 0 305.305 3.041 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccc(F)c2)[C@H]1C(=O)[O-] ZINC000221031141 546265757 /nfs/dbraw/zinc/26/57/57/546265757.db2.gz ZIKWSBOIRBANGX-JSGCOSHPSA-N -1 0 323.364 3.078 50 0 DGAARM CCOc1cc(S(=O)(=O)[N-]c2ccccc2O)c(C)cc1C ZINC000230515299 546274038 /nfs/dbraw/zinc/27/40/38/546274038.db2.gz LAGBCSXGUORHES-UHFFFAOYSA-N -1 0 321.398 3.209 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000317487752 546460957 /nfs/dbraw/zinc/46/09/57/546460957.db2.gz DKYZEUFZZAFGAN-SRVKXCTJSA-N -1 0 321.339 3.211 50 0 DGAARM Cc1cc2cc(NC(=O)Cc3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC000170067776 563903612 /nfs/dbraw/zinc/90/36/12/563903612.db2.gz POJRVJRNEXVKMI-UHFFFAOYSA-N -1 0 308.337 3.356 50 0 DGAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccs1 ZINC000170066813 563903678 /nfs/dbraw/zinc/90/36/78/563903678.db2.gz XZHAWNBMKCIPAY-GXTWGEPZSA-N -1 0 317.410 3.492 50 0 DGAARM CSCc1cccc(S(=O)(=O)[N-]c2cc(C)ccn2)c1 ZINC000072240334 563960381 /nfs/dbraw/zinc/96/03/81/563960381.db2.gz ZVRZIEQABXMMIK-UHFFFAOYSA-N -1 0 308.428 3.054 50 0 DGAARM CN1CCCC[C@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000738016412 575263831 /nfs/dbraw/zinc/26/38/31/575263831.db2.gz PNYGHIHMBPICMR-LBPRGKRZSA-N -1 0 318.398 3.022 50 0 DGAARM CC(C)c1ocnc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000095970406 657496208 /nfs/dbraw/zinc/49/62/08/657496208.db2.gz OVCKNIXCVNNEKX-VMPITWQZSA-N -1 0 300.314 3.148 50 0 DGAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2sccc2C)cc1 ZINC001506419731 1186225710 /nfs/dbraw/zinc/22/57/10/1186225710.db2.gz JEWYSHHHZVJVGS-HNNXBMFYSA-N -1 0 305.399 3.323 50 0 DGAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2CC(C)(C)C)cc1 ZINC000584906731 1094840699 /nfs/dbraw/zinc/84/06/99/1094840699.db2.gz XFVGVWSDMFNNSS-GOEBONIOSA-N -1 0 319.401 3.106 50 0 DGAARM Cc1nsc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000585086414 1094983139 /nfs/dbraw/zinc/98/31/39/1094983139.db2.gz VLHGCOTUCUAZIL-UHFFFAOYSA-N -1 0 318.370 3.147 50 0 DGAARM CC1(C)C[C@]1(C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000095531261 185378835 /nfs/dbraw/zinc/37/88/35/185378835.db2.gz QQOWWDJHKWFGOP-GOSISDBHSA-N -1 0 319.376 3.007 50 0 DGAARM O=C([O-])Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 ZINC000087844282 185233043 /nfs/dbraw/zinc/23/30/43/185233043.db2.gz IBLHTRINIXSPQK-UHFFFAOYSA-N -1 0 307.708 3.359 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000097001974 185396061 /nfs/dbraw/zinc/39/60/61/185396061.db2.gz BLMREVPZJUKPNR-GFCCVEGCSA-N -1 0 301.342 3.292 50 0 DGAARM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000095424364 185361361 /nfs/dbraw/zinc/36/13/61/185361361.db2.gz JXQJYEKCZKCSHV-QMMMGPOBSA-N -1 0 324.427 3.353 50 0 DGAARM CCc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000095425051 185361551 /nfs/dbraw/zinc/36/15/51/185361551.db2.gz NPGLOJNWJJHLCX-UHFFFAOYSA-N -1 0 307.371 3.182 50 0 DGAARM CCCc1ncc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000097018489 185397817 /nfs/dbraw/zinc/39/78/17/185397817.db2.gz VSOBEYMIDAPEAQ-UHFFFAOYSA-N -1 0 318.398 3.066 50 0 DGAARM C[C@@H](Nc1c2ccccc2[nH]c(=O)c1C(=O)[O-])c1ccccc1 ZINC000169387318 197746639 /nfs/dbraw/zinc/74/66/39/197746639.db2.gz JLTXWIOGKKOZAB-LLVKDONJSA-N -1 0 308.337 3.399 50 0 DGAARM CC(C)c1nc(NCc2cc(F)cc(F)c2)ncc1C(=O)[O-] ZINC000169751725 197748839 /nfs/dbraw/zinc/74/88/39/197748839.db2.gz QFCIVBGIURCDBJ-UHFFFAOYSA-N -1 0 307.300 3.189 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccc(C)cc1C ZINC000064983798 432010053 /nfs/dbraw/zinc/01/00/53/432010053.db2.gz YXIUIHSPRADPFA-UHFFFAOYSA-N -1 0 314.385 3.313 50 0 DGAARM Cc1nnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000036393634 282331751 /nfs/dbraw/zinc/33/17/51/282331751.db2.gz HDAIKNKLZFMVOG-UHFFFAOYSA-N -1 0 300.343 3.062 50 0 DGAARM CN(Cc1cc(-c2ccccc2)on1)Cc1ncccc1C(=O)[O-] ZINC000065376141 432012128 /nfs/dbraw/zinc/01/21/28/432012128.db2.gz LYJXARFILQWMCO-UHFFFAOYSA-N -1 0 323.352 3.067 50 0 DGAARM O=C([O-])C[C@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 ZINC000227115053 201793929 /nfs/dbraw/zinc/79/39/29/201793929.db2.gz GOVACRHGHMRMSP-HNNXBMFYSA-N -1 0 315.344 3.091 50 0 DGAARM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(OC)c1OC ZINC000170606861 197788242 /nfs/dbraw/zinc/78/82/42/197788242.db2.gz IHFARTATDQNZTO-SNAWJCMRSA-N -1 0 321.354 3.038 50 0 DGAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000072157649 191061326 /nfs/dbraw/zinc/06/13/26/191061326.db2.gz WIZVOGKSUUQNJP-HNNXBMFYSA-N -1 0 324.380 3.481 50 0 DGAARM O=C([O-])/C=C/c1cc(Br)c(F)c(Br)c1 ZINC000263625047 304023361 /nfs/dbraw/zinc/02/33/61/304023361.db2.gz WGLVQBXIDMWYPO-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM CCOc1ccc(-n2cc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000067172484 432028149 /nfs/dbraw/zinc/02/81/49/432028149.db2.gz BFGVOSNAMFKVTR-UHFFFAOYSA-N -1 0 309.321 3.088 50 0 DGAARM O=C([O-])c1ccc(CSCC(=O)Nc2ccccc2)cc1 ZINC000000309980 180755289 /nfs/dbraw/zinc/75/52/89/180755289.db2.gz RAZJRNBQPZOQGU-UHFFFAOYSA-N -1 0 301.367 3.257 50 0 DGAARM CCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000000527849 180813609 /nfs/dbraw/zinc/81/36/09/180813609.db2.gz PAQWPELCMMDANU-UHFFFAOYSA-N -1 0 305.399 3.367 50 0 DGAARM O=C([O-])c1cccc2[nH]c(Cc3c(F)cccc3Cl)c(O)c21 ZINC000001304625 180854064 /nfs/dbraw/zinc/85/40/64/180854064.db2.gz WAMRCNDWRQOHIK-CYBMUJFWSA-N -1 0 319.719 3.397 50 0 DGAARM C[C@H](Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)[O-] ZINC000001977945 180904619 /nfs/dbraw/zinc/90/46/19/180904619.db2.gz GJJAXRPKBPOQTL-NSHDSACASA-N -1 0 310.305 3.312 50 0 DGAARM C[C@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1ccccc1F ZINC000003425301 181018079 /nfs/dbraw/zinc/01/80/79/181018079.db2.gz KEVGSNUOJJVYFN-VIFPVBQESA-N -1 0 320.345 3.038 50 0 DGAARM C[C@@H](On1c2cc(Cl)ccc2nc1-c1ccccc1)C(=O)[O-] ZINC000003855710 181049800 /nfs/dbraw/zinc/04/98/00/181049800.db2.gz MKSDCECPVWEHCA-SNVBAGLBSA-N -1 0 316.744 3.258 50 0 DGAARM O=C([O-])[C@@H](NC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000003898780 181054358 /nfs/dbraw/zinc/05/43/58/181054358.db2.gz YLIATHIMWAKTQI-HSVOFOGUSA-N -1 0 319.426 3.148 50 0 biogenic DGAARM Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)[O-] ZINC000003834032 181047955 /nfs/dbraw/zinc/04/79/55/181047955.db2.gz NHFDRBXTEDBWCZ-ZROIWOOFSA-N -1 0 310.353 3.141 50 0 investigational DGAARM Cc1ccc2[nH]c(-c3ccc(NC(=O)CCC(=O)[O-])cc3)nc2c1 ZINC000004385915 181105902 /nfs/dbraw/zinc/10/59/02/181105902.db2.gz XSBOQUZMKWZUOV-UHFFFAOYSA-N -1 0 323.352 3.342 50 0 DGAARM C/C(=C/C(=O)[O-])C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004393819 181106674 /nfs/dbraw/zinc/10/66/74/181106674.db2.gz DZFSZFLGDVYYHK-VURMDHGXSA-N -1 0 322.773 3.433 50 0 DGAARM O=C([O-])C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000004649482 181132143 /nfs/dbraw/zinc/13/21/43/181132143.db2.gz GEGWFCCEFZOCRY-UHFFFAOYSA-N -1 0 306.362 3.250 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(C)(C)C ZINC000004970456 181181628 /nfs/dbraw/zinc/18/16/28/181181628.db2.gz WWQHVTNGEUBVTH-UHFFFAOYSA-N -1 0 320.414 3.189 50 0 DGAARM COCCCNc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000005100879 181203241 /nfs/dbraw/zinc/20/32/41/181203241.db2.gz IACNWRSZMCWPAR-UHFFFAOYSA-N -1 0 309.369 3.451 50 0 DGAARM CC[C@@H](C)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450812 181244782 /nfs/dbraw/zinc/24/47/82/181244782.db2.gz CRIBHMPKLWFZLL-SJKOYZFVSA-N -1 0 316.401 3.106 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000005516157 181252691 /nfs/dbraw/zinc/25/26/91/181252691.db2.gz FPXRYKBOFUZOCN-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1cc2oc(-c3ccco3)c(OCC(=O)[O-])c(=O)c2cc1C ZINC000005580570 181259873 /nfs/dbraw/zinc/25/98/73/181259873.db2.gz UDRKEYZAPPLFNS-UHFFFAOYSA-N -1 0 314.293 3.133 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000005652582 181268226 /nfs/dbraw/zinc/26/82/26/181268226.db2.gz LRFBFJRWZMPUMO-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM COC(=O)C(=C1OC(=O)C(c2ccccc2)=C1[O-])c1ccccc1 ZINC000005700753 181274022 /nfs/dbraw/zinc/27/40/22/181274022.db2.gz OMZRMXULWNMRAE-BMRADRMJSA-N -1 0 322.316 3.097 50 0 in-vitro DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000263114100 304059251 /nfs/dbraw/zinc/05/92/51/304059251.db2.gz BOXKXWOMHYUQGX-JYJNAYRXSA-N -1 0 319.376 3.175 50 0 DGAARM O=C([O-])c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1 ZINC000169676869 432071578 /nfs/dbraw/zinc/07/15/78/432071578.db2.gz MMHUBSJQDZXHHV-UHFFFAOYSA-N -1 0 300.289 3.119 50 0 DGAARM CCOc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000005873601 181292440 /nfs/dbraw/zinc/29/24/40/181292440.db2.gz XEUBUOACZBZLEP-UHFFFAOYSA-N -1 0 300.314 3.428 50 0 DGAARM O=C([O-])c1ccc(F)c(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000179234111 199002183 /nfs/dbraw/zinc/00/21/83/199002183.db2.gz ASJZEUHUZWYYFR-UHFFFAOYSA-N -1 0 301.264 3.288 50 0 DGAARM Cc1ccc(CCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000237691954 202330119 /nfs/dbraw/zinc/33/01/19/202330119.db2.gz VWCJDKVTIGGNHJ-CQSZACIVSA-N -1 0 323.458 3.483 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000237924551 202393292 /nfs/dbraw/zinc/39/32/92/202393292.db2.gz YKQNAAVIKRWYAK-AWEZNQCLSA-N -1 0 307.365 3.004 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001383642 304099538 /nfs/dbraw/zinc/09/95/38/304099538.db2.gz NUJRBPAPDJJNKE-NWDGAFQWSA-N -1 0 313.275 3.311 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000000193377 304099930 /nfs/dbraw/zinc/09/99/30/304099930.db2.gz YKXCZGZEZFUISQ-NWDGAFQWSA-N -1 0 309.159 3.299 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000190478398 304108069 /nfs/dbraw/zinc/10/80/69/304108069.db2.gz CJJWVLCMURKHKB-MOENNCHZSA-N -1 0 321.339 3.068 50 0 DGAARM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccs1 ZINC000195541846 201403780 /nfs/dbraw/zinc/40/37/80/201403780.db2.gz MIVMXAPBJSWPRQ-XHDPSFHLSA-N -1 0 315.394 3.062 50 0 DGAARM COCc1cc(=O)n2[n-]c(C)c(-c3cccc4ccccc43)c2n1 ZINC000006556432 181354368 /nfs/dbraw/zinc/35/43/68/181354368.db2.gz DWYWUWYYGLVEBW-UHFFFAOYSA-N -1 0 319.364 3.298 50 0 DGAARM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)OCO3)CCCCC1 ZINC000006585320 181357726 /nfs/dbraw/zinc/35/77/26/181357726.db2.gz CRLSRHRXAKFKPE-UHFFFAOYSA-N -1 0 319.357 3.169 50 0 DGAARM O=C([O-])c1cc2c(cc1NC(=O)c1ccccc1Cl)OCO2 ZINC000006589162 181357795 /nfs/dbraw/zinc/35/77/95/181357795.db2.gz SDDCEWKRCSSFBJ-UHFFFAOYSA-N -1 0 319.700 3.019 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000006668204 181368258 /nfs/dbraw/zinc/36/82/58/181368258.db2.gz WBBPHNRIFMXEQZ-GJZGRUSLSA-N -1 0 301.386 3.395 50 0 DGAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(SC)cc2)C1 ZINC000091746848 193101458 /nfs/dbraw/zinc/10/14/58/193101458.db2.gz OOGWCURLIQHEHY-KRWDZBQOSA-N -1 0 321.442 3.054 50 0 DGAARM Cc1cc(C(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)cs1 ZINC000091896491 193124121 /nfs/dbraw/zinc/12/41/21/193124121.db2.gz ZMOARPXHFGQINU-MRXNPFEDSA-N -1 0 307.415 3.164 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000238850641 304149187 /nfs/dbraw/zinc/14/91/87/304149187.db2.gz CGFIVURAFDUSHQ-BNOWGMLFSA-N -1 0 307.777 3.198 50 0 DGAARM COc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc1OC ZINC000096035422 193492802 /nfs/dbraw/zinc/49/28/02/193492802.db2.gz WCKSELLTEWAVGC-NIQPXEJBSA-N -1 0 317.366 3.429 50 0 DGAARM C[C@@H](Oc1cccc(/C=C2/Cc3ccccc3C2=O)c1)C(=O)[O-] ZINC000096291703 193609481 /nfs/dbraw/zinc/60/94/81/193609481.db2.gz YXVWUYIRXPQPNN-CDCQXCROSA-N -1 0 308.333 3.361 50 0 DGAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000009550350 181629391 /nfs/dbraw/zinc/62/93/91/181629391.db2.gz RFCYTYJTSYIDLC-UHFFFAOYSA-N -1 0 319.700 3.019 50 0 DGAARM COc1ccccc1-n1[n-]c(C)c(Cc2ccc(C)cc2)c1=O ZINC000009939736 181649085 /nfs/dbraw/zinc/64/90/85/181649085.db2.gz DUZZHNRTCAWFNW-UHFFFAOYSA-N -1 0 308.381 3.382 50 0 DGAARM CC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000013253200 181839777 /nfs/dbraw/zinc/83/97/77/181839777.db2.gz CBJOCZDPMFYDNP-UHFFFAOYSA-N -1 0 303.358 3.253 50 0 DGAARM CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013469945 181852508 /nfs/dbraw/zinc/85/25/08/181852508.db2.gz UGHKGBZJVKFHOJ-STQMWFEESA-N -1 0 317.385 3.295 50 0 DGAARM O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2cc1O ZINC000017320670 182083089 /nfs/dbraw/zinc/08/30/89/182083089.db2.gz BXYJQOXFYQUEJV-UHFFFAOYSA-N -1 0 321.332 3.204 50 0 DGAARM COc1cccc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000018195668 182098025 /nfs/dbraw/zinc/09/80/25/182098025.db2.gz RGOVXQRLMIAJGF-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM O=C([O-])c1cnc2ccccc2c1Nc1ccc2c(c1)OCCO2 ZINC000019795501 182150947 /nfs/dbraw/zinc/15/09/47/182150947.db2.gz ONMQDVIKWAFQIB-UHFFFAOYSA-N -1 0 322.320 3.448 50 0 DGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Cc3ccccc3)s2)N1 ZINC000020606353 182237987 /nfs/dbraw/zinc/23/79/87/182237987.db2.gz FMYDWHZSFCIYSK-JSGCOSHPSA-N -1 0 305.424 3.127 50 0 DGAARM O=C(Nc1ccc(F)cc1)Nc1c(=O)oc2ccccc2c1[O-] ZINC000020853468 182249533 /nfs/dbraw/zinc/24/95/33/182249533.db2.gz GSAUAHLPRAWAQE-UHFFFAOYSA-N -1 0 314.272 3.282 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1N1C(=O)c2cc3ccccc3cc2C1=O ZINC000044069122 304181434 /nfs/dbraw/zinc/18/14/34/304181434.db2.gz RPVXICJCKYVHHZ-BBRMVZONSA-N -1 0 323.348 3.079 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(NCCc3ccccc3)c12 ZINC000021715902 182284982 /nfs/dbraw/zinc/28/49/82/182284982.db2.gz PMMULWJHNKBKKC-UHFFFAOYSA-N -1 0 313.382 3.353 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3ccc(F)cc3)c12 ZINC000021715865 182285006 /nfs/dbraw/zinc/28/50/06/182285006.db2.gz BXZWPKUXZWZPMG-UHFFFAOYSA-N -1 0 317.345 3.449 50 0 DGAARM COc1cc(OC)c(C(=O)CCCCCCC(=O)[O-])cc1OC ZINC000043214197 183344940 /nfs/dbraw/zinc/34/49/40/183344940.db2.gz RAHUICKUHWZUJN-UHFFFAOYSA-N -1 0 324.373 3.320 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000043584225 183373297 /nfs/dbraw/zinc/37/32/97/183373297.db2.gz SVBDSVXOELYYOQ-VIFPVBQESA-N -1 0 301.795 3.119 50 0 DGAARM CSc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000043584327 183373499 /nfs/dbraw/zinc/37/34/99/183373499.db2.gz NGQSULOZDVAYKQ-GFCCVEGCSA-N -1 0 307.415 3.126 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)s1 ZINC000043593786 183374650 /nfs/dbraw/zinc/37/46/50/183374650.db2.gz MHSPUIIHFWRRNL-CYBMUJFWSA-N -1 0 321.785 3.226 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1ccccc1 ZINC000045922942 304212400 /nfs/dbraw/zinc/21/24/00/304212400.db2.gz MCJOJEWCHGIGNR-DLBZAZTESA-N -1 0 307.349 3.214 50 0 DGAARM O=C([O-])c1c(Cl)cc(I)cc1Cl ZINC000095698518 304217108 /nfs/dbraw/zinc/21/71/08/304217108.db2.gz XXOKETZHRNJXMT-UHFFFAOYSA-N -1 0 316.909 3.296 50 0 DGAARM O=C([O-])c1c(NC(=O)c2ccc(F)cc2)sc2c1CCC2 ZINC000000349870 304217797 /nfs/dbraw/zinc/21/77/97/304217797.db2.gz FSAQWXZVBNUNSU-UHFFFAOYSA-N -1 0 305.330 3.326 50 0 DGAARM O=C([O-])c1c[nH]c2cc(Br)c(Br)cc12 ZINC000004219119 304218524 /nfs/dbraw/zinc/21/85/24/304218524.db2.gz ZUKDDHPPAUVCRA-UHFFFAOYSA-N -1 0 318.952 3.391 50 0 DGAARM O=C([O-])C1(Cc2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000048524339 183663420 /nfs/dbraw/zinc/66/34/20/183663420.db2.gz WQBTUXWUZRRHLM-UHFFFAOYSA-N -1 0 323.392 3.236 50 0 DGAARM Cc1nc([C@@H](C)N(C)Cc2ncccc2C(=O)[O-])c(C)s1 ZINC000065469997 184350554 /nfs/dbraw/zinc/35/05/54/184350554.db2.gz NZMDPJWULYNSSM-SECBINFHSA-N -1 0 305.403 3.046 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000097231581 304234209 /nfs/dbraw/zinc/23/42/09/304234209.db2.gz QJGXAHMROYJQEG-LBPRGKRZSA-N -1 0 303.289 3.094 50 0 DGAARM O=C([O-])c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000037685 304251150 /nfs/dbraw/zinc/25/11/50/304251150.db2.gz NOJPLFKBINIONR-MRXNPFEDSA-N -1 0 313.378 3.159 50 0 DGAARM O=C([O-])c1cccnc1C(=O)Nc1ccccc1C(F)(F)F ZINC000039336200 304272184 /nfs/dbraw/zinc/27/21/84/304272184.db2.gz YULCKXLTKUSGAM-UHFFFAOYSA-N -1 0 310.231 3.051 50 0 DGAARM O=C([O-])c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 ZINC000085389365 304273789 /nfs/dbraw/zinc/27/37/89/304273789.db2.gz RZDVOYOPIOZINZ-UHFFFAOYSA-N -1 0 319.238 3.106 50 0 DGAARM O=C([O-])CCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000000129432 257254896 /nfs/dbraw/zinc/25/48/96/257254896.db2.gz HGSQUOOPTJJCLQ-UHFFFAOYSA-N -1 0 309.412 3.203 50 0 DGAARM O=C([O-])c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000226836 304280153 /nfs/dbraw/zinc/28/01/53/304280153.db2.gz LYZQKJPJPOCQQM-WDEREUQCSA-N -1 0 311.263 3.242 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097231723 400284897 /nfs/dbraw/zinc/28/48/97/400284897.db2.gz AVRKSGPITMRFJH-PVAVHDDUSA-N -1 0 315.413 3.202 50 0 DGAARM O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)cc1Cl ZINC000107552114 400335733 /nfs/dbraw/zinc/33/57/33/400335733.db2.gz MRUQTZGDSGRGJW-UHFFFAOYSA-N -1 0 318.181 3.500 50 0 DGAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000032971303 400376804 /nfs/dbraw/zinc/37/68/04/400376804.db2.gz MRFXDZDMUMIBQV-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM O=C(N[C@H](C(F)F)C1CCCCC1)c1s[n-]c(=O)c1Cl ZINC000623045760 401458329 /nfs/dbraw/zinc/45/83/29/401458329.db2.gz AKGRHZDTVSQYOA-QMMMGPOBSA-N -1 0 324.780 3.446 50 0 DGAARM CC[C@@H]1CCc2nc3sc4c([nH]c(=O)cc4[O-])c3cc2C1 ZINC000004945460 287121418 /nfs/dbraw/zinc/12/14/18/287121418.db2.gz IWGXJTXFLGYCBS-MRVPVSSYSA-N -1 0 300.383 3.358 50 0 DGAARM CC(C)c1occc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000263209599 165845040 /nfs/dbraw/zinc/84/50/40/165845040.db2.gz WKVYPCMJBPYSJW-UHFFFAOYSA-N -1 0 301.342 3.074 50 0 DGAARM Cc1cccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000000408713 292578975 /nfs/dbraw/zinc/57/89/75/292578975.db2.gz FBVMEXKJRKVQRJ-IRXDYDNUSA-N -1 0 306.365 3.165 50 0 biogenic DGAARM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000095991814 287380243 /nfs/dbraw/zinc/38/02/43/287380243.db2.gz RIFFWZFPEQKPAW-SNVBAGLBSA-N -1 0 305.355 3.189 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000148662544 227051900 /nfs/dbraw/zinc/05/19/00/227051900.db2.gz JMTNMARHLIFJJE-CYZMBNFOSA-N -1 0 307.777 3.184 50 0 DGAARM Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC000177478495 228331367 /nfs/dbraw/zinc/33/13/67/228331367.db2.gz URCWNRAKZOYFKN-OAHLLOKOSA-N -1 0 320.348 3.007 50 0 DGAARM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000299744980 229385106 /nfs/dbraw/zinc/38/51/06/229385106.db2.gz QLJQECFZLPYHMA-DZYMPVBWSA-N -1 0 321.804 3.203 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)n1 ZINC000072265393 426010890 /nfs/dbraw/zinc/01/08/90/426010890.db2.gz GJJQMESXCRMXPG-UHFFFAOYSA-N -1 0 320.414 3.116 50 0 DGAARM CC(=O)c1cccc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])c1 ZINC000004724908 278251306 /nfs/dbraw/zinc/25/13/06/278251306.db2.gz WOIGSWDJDIGQSS-UONOGXRCSA-N -1 0 321.760 3.061 50 0 DGAARM COC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@H]1c1ccccc1 ZINC000000053362 431117725 /nfs/dbraw/zinc/11/77/25/431117725.db2.gz TWVUUWMGOMIING-NUWOQIAWSA-N -1 0 310.349 3.058 50 0 DGAARM O=S(=O)([N-]c1cccc(O)c1)c1cc(Cl)ccc1Cl ZINC000000082102 431121465 /nfs/dbraw/zinc/12/14/65/431121465.db2.gz XEEYCQXDSFIFTC-UHFFFAOYSA-N -1 0 318.181 3.500 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccccc1F ZINC000000089061 431121931 /nfs/dbraw/zinc/12/19/31/431121931.db2.gz XOTPQGNCZGARQA-UHFFFAOYSA-N -1 0 305.330 3.255 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccccc1Cl ZINC000068300387 431122915 /nfs/dbraw/zinc/12/29/15/431122915.db2.gz KXUZDEDKFXMGMS-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000000141871 431133848 /nfs/dbraw/zinc/13/38/48/431133848.db2.gz FCFUHAFBQPTWQO-UHFFFAOYSA-N -1 0 321.185 3.399 50 0 DGAARM CC(C)C[C@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074677877 279219346 /nfs/dbraw/zinc/21/93/46/279219346.db2.gz JARXDPPMEAIPGP-LBPRGKRZSA-N -1 0 320.414 3.377 50 0 DGAARM O=C([O-])/C=C/C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000000188979 431140970 /nfs/dbraw/zinc/14/09/70/431140970.db2.gz VIGAAEWLQATVQN-MDZDMXLPSA-N -1 0 308.293 3.074 50 0 DGAARM CC[C@H](Sc1nc2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC000000305744 431162210 /nfs/dbraw/zinc/16/22/10/431162210.db2.gz BEVRXLFNUGYRCN-VIFPVBQESA-N -1 0 315.192 3.281 50 0 DGAARM O=C([O-])c1ccc(NC(=O)CC(=O)c2ccc(Cl)cc2)cc1 ZINC000000395248 431175821 /nfs/dbraw/zinc/17/58/21/431175821.db2.gz MPKFVUYYNUYPLU-UHFFFAOYSA-N -1 0 317.728 3.250 50 0 DGAARM O=C([O-])c1ccc(NCn2c3ccccc3[nH]c2=S)cc1O ZINC000000409854 431177664 /nfs/dbraw/zinc/17/76/64/431177664.db2.gz HCHQLGZFZJNAOM-UHFFFAOYSA-N -1 0 315.354 3.172 50 0 DGAARM COc1ccc([C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)cc1 ZINC000000439051 431183558 /nfs/dbraw/zinc/18/35/58/431183558.db2.gz YAHBJAWHPVROGG-AWEZNQCLSA-N -1 0 309.287 3.463 50 0 DGAARM COc1ccc(S(=O)(=O)NC2CCCC2)c(Cl)c1Cl ZINC000000470468 431187694 /nfs/dbraw/zinc/18/76/94/431187694.db2.gz OJNHHAODNWLQLM-UHFFFAOYSA-N -1 0 324.229 3.223 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000000215319 431146879 /nfs/dbraw/zinc/14/68/79/431146879.db2.gz QWANGLOVFHFFIW-SJORKVTESA-N -1 0 313.397 3.193 50 0 DGAARM CC[C@H](C)[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000237071 431150182 /nfs/dbraw/zinc/15/01/82/431150182.db2.gz KGIKKKJCUWULNJ-ZANVPECISA-N -1 0 319.430 3.481 50 0 DGAARM CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000000616502 431206464 /nfs/dbraw/zinc/20/64/64/431206464.db2.gz DCJAZYRYFOWGEG-UHFFFAOYSA-N -1 0 305.399 3.367 50 0 DGAARM O=C([O-])CCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000857572 431210655 /nfs/dbraw/zinc/21/06/55/431210655.db2.gz AZEMTZJTVCMXHI-UHFFFAOYSA-N -1 0 323.352 3.423 50 0 DGAARM O=C([O-])CNc1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000000938843 431211345 /nfs/dbraw/zinc/21/13/45/431211345.db2.gz RWQDXAQECAGYIW-UHFFFAOYSA-N -1 0 317.185 3.143 50 0 DGAARM O=C([N-]Cc1cc(-c2ccc(Cl)cc2)no1)C(F)(F)F ZINC000001393819 431224400 /nfs/dbraw/zinc/22/44/00/431224400.db2.gz RWSTXBAYSOHEKN-UHFFFAOYSA-N -1 0 304.655 3.174 50 0 DGAARM O=C([O-])COc1ccc(-c2nccc(-c3cccs3)n2)cc1 ZINC000001406338 431227061 /nfs/dbraw/zinc/22/70/61/431227061.db2.gz BHNJTAMBLQTEQJ-UHFFFAOYSA-N -1 0 312.350 3.336 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000002568075 431258563 /nfs/dbraw/zinc/25/85/63/431258563.db2.gz KHHIGWRTNILXLL-OAHLLOKOSA-N -1 0 315.369 3.360 50 0 DGAARM Cn1c2ccccc2c2cc([C@@H]3N[C@H](C(=O)[O-])CS3)ccc21 ZINC000002503230 431254998 /nfs/dbraw/zinc/25/49/98/431254998.db2.gz ADSFHNHOOIYLNE-XJKSGUPXSA-N -1 0 312.394 3.120 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1Cl ZINC000002572722 431257054 /nfs/dbraw/zinc/25/70/54/431257054.db2.gz UBRPCCFLMVZEKN-NSHDSACASA-N -1 0 313.781 3.251 50 0 DGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000071288156 431276746 /nfs/dbraw/zinc/27/67/46/431276746.db2.gz UHLOOCBRNCBVDR-UWVGGRQHSA-N -1 0 322.411 3.167 50 0 DGAARM CCCC[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)[O-])N1C(C)=O ZINC000003173781 431283087 /nfs/dbraw/zinc/28/30/87/431283087.db2.gz SCCFPAMTAIFDLY-HOTGVXAUSA-N -1 0 314.385 3.257 50 0 DGAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cccs1 ZINC000003269139 431288931 /nfs/dbraw/zinc/28/89/31/431288931.db2.gz RXOXOUJKNXYWMM-UHFFFAOYSA-N -1 0 305.327 3.150 50 0 DGAARM Cc1cccc(CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000006918565 431324408 /nfs/dbraw/zinc/32/44/08/431324408.db2.gz ODJZQZBNYZQQTJ-UHFFFAOYSA-N -1 0 318.423 3.399 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007057410 431332357 /nfs/dbraw/zinc/33/23/57/431332357.db2.gz OPVYDTSYCSPUNM-UHFFFAOYSA-N -1 0 313.325 3.164 50 0 DGAARM CSc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000007745712 431361585 /nfs/dbraw/zinc/36/15/85/431361585.db2.gz NIWUMTBGSDGZNM-UHFFFAOYSA-N -1 0 315.366 3.488 50 0 DGAARM CCOc1ccccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000008907498 431417968 /nfs/dbraw/zinc/41/79/68/431417968.db2.gz RATBQHXQCFHKJY-UHFFFAOYSA-N -1 0 313.353 3.355 50 0 DGAARM COc1ccc(NCc2nc(=O)c3sccc3[n-]2)cc1Cl ZINC000008127652 431381461 /nfs/dbraw/zinc/38/14/61/431381461.db2.gz DQYYYXDKBAXAGD-UHFFFAOYSA-N -1 0 321.789 3.259 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000008771451 431409834 /nfs/dbraw/zinc/40/98/34/431409834.db2.gz AWDCNPPSTDYDKO-UHFFFAOYSA-N -1 0 321.735 3.036 50 0 DGAARM CC[C@@H](C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)[O-] ZINC000008762484 431410096 /nfs/dbraw/zinc/41/00/96/431410096.db2.gz DGFYSPFQNRFWPU-QMTHXVAHSA-N -1 0 309.431 3.246 50 0 DGAARM CC[C@H](C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)[O-] ZINC000008762487 431411509 /nfs/dbraw/zinc/41/15/09/431411509.db2.gz DGFYSPFQNRFWPU-IINYFYTJSA-N -1 0 309.431 3.246 50 0 DGAARM O=C1N=C(SCc2ccccc2)N=C([O-])C1Cc1ccccc1 ZINC000008767728 431412588 /nfs/dbraw/zinc/41/25/88/431412588.db2.gz PMJGSWTWJFRHBU-UHFFFAOYSA-N -1 0 324.405 3.359 50 0 DGAARM CN(CC1CC1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000075146131 431458977 /nfs/dbraw/zinc/45/89/77/431458977.db2.gz SIBRTWOWPZLNEQ-UHFFFAOYSA-N -1 0 318.598 3.290 50 0 DGAARM CC(C)Oc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000010715456 431467580 /nfs/dbraw/zinc/46/75/80/431467580.db2.gz ZMQMOMLVQJFICQ-GJZGRUSLSA-N -1 0 305.374 3.303 50 0 DGAARM C[C@@H](Oc1ccc(-c2cc3ccccc3oc2=O)cc1)C(=O)[O-] ZINC000011766139 431481941 /nfs/dbraw/zinc/48/19/41/431481941.db2.gz OIOBQQFQVATWMH-LLVKDONJSA-N -1 0 310.305 3.312 50 0 DGAARM COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)[O-])c32)cc1 ZINC000012396804 431506233 /nfs/dbraw/zinc/50/62/33/431506233.db2.gz VWADMGDJFWRKMQ-UHFFFAOYSA-N -1 0 310.309 3.474 50 0 DGAARM O=C1C[C@H](c2n[n-]c(=S)o2)CN1c1ccc(F)c(Cl)c1 ZINC000012415591 431507089 /nfs/dbraw/zinc/50/70/89/431507089.db2.gz YZXOCAVUUFKVQI-LURJTMIESA-N -1 0 313.741 3.045 50 0 DGAARM CC(C)n1cc2c(n1)nc(SCC(=O)[O-])cc2C(F)F ZINC000012398357 431507835 /nfs/dbraw/zinc/50/78/35/431507835.db2.gz VPYABIDHJYYXKM-UHFFFAOYSA-N -1 0 301.318 3.127 50 0 DGAARM CC(C)C[C@@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)[O-] ZINC000012940844 431538727 /nfs/dbraw/zinc/53/87/27/431538727.db2.gz KGRYLNMZCAFGKT-ZWNOBZJWSA-N -1 0 309.431 3.102 50 0 DGAARM O=[P@@]([O-])(O)[C@@H](NCc1cccc(Cl)c1)c1ccsc1 ZINC000012997467 431541915 /nfs/dbraw/zinc/54/19/15/431541915.db2.gz VBDSMMPJIRLTBM-GFCCVEGCSA-N -1 0 317.734 3.368 50 0 DGAARM COc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013167619 431549097 /nfs/dbraw/zinc/54/90/97/431549097.db2.gz ACUVTBNAFIQOPP-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM O=C([O-])C[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000013225110 431552773 /nfs/dbraw/zinc/55/27/73/431552773.db2.gz WTGUZMFDJZIQPU-INIZCTEOSA-N -1 0 315.344 3.091 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000013425628 431555362 /nfs/dbraw/zinc/55/53/62/431555362.db2.gz WVIYQYXIGVFJPD-UHFFFAOYSA-N -1 0 320.147 3.069 50 0 DGAARM O=C1[N-]C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000014010108 431575238 /nfs/dbraw/zinc/57/52/38/431575238.db2.gz XEZGXZOPDHWWAF-XFFZJAGNSA-N -1 0 320.757 3.265 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000014097304 431578995 /nfs/dbraw/zinc/57/89/95/431578995.db2.gz OFZHNHIRYQLGGU-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=C([O-])CC1(CC(=O)Nc2ccc3c[nH]nc3c2)CCCCC1 ZINC000014253210 431588660 /nfs/dbraw/zinc/58/86/60/431588660.db2.gz UUCNVPKZSLRTDY-UHFFFAOYSA-N -1 0 315.373 3.317 50 0 DGAARM O=c1c2ccccc2[n-]c(=S)n1CCOc1ccc(F)cc1 ZINC000028962238 431713620 /nfs/dbraw/zinc/71/36/20/431713620.db2.gz OQKOWRYDBGXNAW-UHFFFAOYSA-N -1 0 316.357 3.277 50 0 DGAARM Cc1sc(NC(=O)/C=C\C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000033310948 431812290 /nfs/dbraw/zinc/81/22/90/431812290.db2.gz HMBOEIATMYIYJT-FPLPWBNLSA-N -1 0 302.355 3.006 50 0 DGAARM CCCC[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)[O-] ZINC000033689777 431813911 /nfs/dbraw/zinc/81/39/11/431813911.db2.gz QPWWUYHVJUXKJM-CYBMUJFWSA-N -1 0 318.398 3.172 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000039956962 431855860 /nfs/dbraw/zinc/85/58/60/431855860.db2.gz DHJLBUSFXBGSRT-SNVBAGLBSA-N -1 0 319.279 3.356 50 0 DGAARM CS[C@H]1CCC[C@H]1N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000089334851 431863466 /nfs/dbraw/zinc/86/34/66/431863466.db2.gz MJDKENQONKKWCS-PWSUYJOCSA-N -1 0 301.358 3.027 50 0 DGAARM Cc1c2c(cc(=O)n1CCC(C)C)[n-]n(-c1ccccc1)c2=O ZINC000036584676 431839608 /nfs/dbraw/zinc/83/96/08/431839608.db2.gz PSOCCCRECTVOPI-UHFFFAOYSA-N -1 0 311.385 3.199 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000095919622 431926112 /nfs/dbraw/zinc/92/61/12/431926112.db2.gz QDUYSEHCJSUXPE-QGZVFWFLSA-N -1 0 305.374 3.040 50 0 DGAARM Cc1ccnc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000044490520 431874374 /nfs/dbraw/zinc/87/43/74/431874374.db2.gz MYRZHBOYYMPZJO-UHFFFAOYSA-N -1 0 307.147 3.110 50 0 DGAARM CC(C)(C)c1c(C(=O)[O-])cnn1-c1ccc(Br)cn1 ZINC000097757484 431973955 /nfs/dbraw/zinc/97/39/55/431973955.db2.gz YTMRWNHQTFADKY-UHFFFAOYSA-N -1 0 324.178 3.026 50 0 DGAARM CCS[C@@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000095970418 431929788 /nfs/dbraw/zinc/92/97/88/431929788.db2.gz BLHWGMQMYAWFPC-CYBMUJFWSA-N -1 0 313.419 3.022 50 0 DGAARM O=S(=O)([N-]c1cccc(F)c1)c1cnc(Cl)cc1Cl ZINC000095982808 431931345 /nfs/dbraw/zinc/93/13/45/431931345.db2.gz OYVWWDRRFFVTNN-UHFFFAOYSA-N -1 0 321.160 3.328 50 0 DGAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC=CCC2)cc1 ZINC000095989639 431932754 /nfs/dbraw/zinc/93/27/54/431932754.db2.gz IXSFNFXRUSIUOY-ZFWWWQNUSA-N -1 0 319.426 3.397 50 0 DGAARM CC[C@@H](C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)on1 ZINC000095989571 431932757 /nfs/dbraw/zinc/93/27/57/431932757.db2.gz ZPIGAHNYQXOFGF-MRVPVSSYSA-N -1 0 306.293 3.278 50 0 DGAARM Cc1nc([C@@H](C)NC(=O)CCc2ccsc2)sc1C(=O)[O-] ZINC000095997240 431933721 /nfs/dbraw/zinc/93/37/21/431933721.db2.gz QCXXZUKWGSCHOK-SECBINFHSA-N -1 0 324.427 3.021 50 0 DGAARM CCCc1ncc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000096479631 431953013 /nfs/dbraw/zinc/95/30/13/431953013.db2.gz IGFTUZLPSSEFST-SECBINFHSA-N -1 0 324.427 3.103 50 0 DGAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC000096479598 431953047 /nfs/dbraw/zinc/95/30/47/431953047.db2.gz HVZAPKVHCZBPTI-YGRLFVJLSA-N -1 0 321.373 3.323 50 0 DGAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccs1 ZINC000096479651 431953164 /nfs/dbraw/zinc/95/31/64/431953164.db2.gz VBFWOXNOOZQLDI-ZJUUUORDSA-N -1 0 309.412 3.245 50 0 DGAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C)c1=O ZINC000100086744 431980395 /nfs/dbraw/zinc/98/03/95/431980395.db2.gz WVIJKEMCEMMVLC-UHFFFAOYSA-N -1 0 322.364 3.288 50 0 DGAARM CCC(CC)(CNC(=O)Cc1c[nH]c2c1cccc2C)C(=O)[O-] ZINC000097036619 431957334 /nfs/dbraw/zinc/95/73/34/431957334.db2.gz CTXLAXUKGPWERP-UHFFFAOYSA-N -1 0 316.401 3.026 50 0 DGAARM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000097045103 431957877 /nfs/dbraw/zinc/95/78/77/431957877.db2.gz YRFKUHRSBMZFMI-LSDHHAIUSA-N -1 0 303.402 3.284 50 0 DGAARM Cc1conc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000097140311 431962851 /nfs/dbraw/zinc/96/28/51/431962851.db2.gz XFRYZNKILSQIIY-UHFFFAOYSA-N -1 0 321.185 3.232 50 0 DGAARM CCc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)(C)C)cc1 ZINC000097164896 431963807 /nfs/dbraw/zinc/96/38/07/431963807.db2.gz ZAIPIZORFUXBDC-UHFFFAOYSA-N -1 0 307.419 3.001 50 0 DGAARM CCN(CCn1cccn1)Cc1c(Cl)ccc([O-])c1Cl ZINC000097213133 431965116 /nfs/dbraw/zinc/96/51/16/431965116.db2.gz IKLUAODDJJPUIM-UHFFFAOYSA-N -1 0 314.216 3.418 50 0 DGAARM CC1(C)S[C@@H](c2ccc(Br)cc2)N[C@H]1C(=O)[O-] ZINC000002549996 281434181 /nfs/dbraw/zinc/43/41/81/281434181.db2.gz STJQECQLTIFAFF-UWVGGRQHSA-N -1 0 316.220 3.016 50 0 DGAARM Cc1cc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)on1 ZINC000253537032 432399253 /nfs/dbraw/zinc/39/92/53/432399253.db2.gz UPVQULPXJAUIFX-NSHDSACASA-N -1 0 316.386 3.030 50 0 DGAARM COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000254514079 432403471 /nfs/dbraw/zinc/40/34/71/432403471.db2.gz QNQCQTFOMMOWIT-UHFFFAOYSA-N -1 0 304.733 3.493 50 0 DGAARM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])o1 ZINC000262797162 432502856 /nfs/dbraw/zinc/50/28/56/432502856.db2.gz NTRWTZMPNHMIIV-NXEZZACHSA-N -1 0 317.316 3.265 50 0 DGAARM CCc1nc(C)c(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)s1 ZINC000263123521 432521398 /nfs/dbraw/zinc/52/13/98/432521398.db2.gz FIZOFGWVQQYBLP-UHFFFAOYSA-N -1 0 322.361 3.032 50 0 DGAARM O=C([O-])CCc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1 ZINC000216085920 432646648 /nfs/dbraw/zinc/64/66/48/432646648.db2.gz CQPNLRQZMHDCNE-UHFFFAOYSA-N -1 0 307.353 3.011 50 0 DGAARM COc1ccc(NC(=O)C[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000226751025 432708217 /nfs/dbraw/zinc/70/82/17/432708217.db2.gz NNGCCDOLEWXCDI-LLVKDONJSA-N -1 0 319.382 3.344 50 0 DGAARM Cc1oc(CNC(=O)C/C=C\c2ccc(C)cc2)cc1C(=O)[O-] ZINC000222162840 432670956 /nfs/dbraw/zinc/67/09/56/432670956.db2.gz FSHXRPFATJLHHX-ARJAWSKDSA-N -1 0 313.353 3.314 50 0 DGAARM CN(Cc1ccccc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000225457877 432691064 /nfs/dbraw/zinc/69/10/64/432691064.db2.gz QKXZDQCSQWKNSE-UHFFFAOYSA-N -1 0 315.344 3.115 50 0 DGAARM C[C@H](Cc1cccs1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000225458376 432691657 /nfs/dbraw/zinc/69/16/57/432691657.db2.gz JMZKASWTEDNKEZ-GFCCVEGCSA-N -1 0 317.410 3.126 50 0 DGAARM CC(C)[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000236609993 432751178 /nfs/dbraw/zinc/75/11/78/432751178.db2.gz PBWSVXXUWWARDP-HNNXBMFYSA-N -1 0 323.820 3.403 50 0 DGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2ccsc2)CC1 ZINC000238007492 432808262 /nfs/dbraw/zinc/80/82/62/432808262.db2.gz HXEMDUQVIBHOOE-UHFFFAOYSA-N -1 0 315.394 3.007 50 0 DGAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000045923031 289860161 /nfs/dbraw/zinc/86/01/61/289860161.db2.gz MZCOBSRCOSWVSP-LSDHHAIUSA-N -1 0 315.756 3.335 50 0 DGAARM O=C([O-])CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 ZINC000299775064 433381950 /nfs/dbraw/zinc/38/19/50/433381950.db2.gz KVOPAFAPMSLFTG-FQEVSTJZSA-N -1 0 323.392 3.410 50 0 DGAARM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000237356241 297461011 /nfs/dbraw/zinc/46/10/11/297461011.db2.gz RMUSIMDATWIUKS-PWSUYJOCSA-N -1 0 317.316 3.135 50 0 DGAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccccc1 ZINC000009421631 300896425 /nfs/dbraw/zinc/89/64/25/300896425.db2.gz NAWNGSCCEWXINJ-UHFFFAOYSA-N -1 0 318.380 3.136 50 0 DGAARM Cc1c2cc(I)ccc2oc1C(=O)[O-] ZINC000032274377 301017223 /nfs/dbraw/zinc/01/72/23/301017223.db2.gz NANPESJGNZAUKM-UHFFFAOYSA-N -1 0 302.067 3.044 50 0 DGAARM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc21 ZINC000653333452 436162682 /nfs/dbraw/zinc/16/26/82/436162682.db2.gz OYAWXXSGQDANDU-ROUUACIJSA-N -1 0 321.376 3.218 50 0 DGAARM Cc1cc2oc(-c3ccc(C(=O)[O-])cc3)c(O)c(=O)c2cc1C ZINC000031773445 301464366 /nfs/dbraw/zinc/46/43/66/301464366.db2.gz SEJCSVRSUDDWND-UHFFFAOYSA-N -1 0 310.305 3.481 50 0 DGAARM Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004019095 301600369 /nfs/dbraw/zinc/60/03/69/301600369.db2.gz OVDMYHCDGWWYAV-OAACRXHESA-N -1 0 305.761 3.110 50 0 DGAARM Cc1cccc(CC2CN(C(=O)c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000659227828 436478237 /nfs/dbraw/zinc/47/82/37/436478237.db2.gz DQLVLWXGXHPIQM-UHFFFAOYSA-N -1 0 309.365 3.008 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000097035902 302309941 /nfs/dbraw/zinc/30/99/41/302309941.db2.gz SFKVXILLGUNWRQ-OLZOCXBDSA-N -1 0 319.382 3.076 50 0 DGAARM Cc1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccccc1 ZINC000000204800 302880482 /nfs/dbraw/zinc/88/04/82/302880482.db2.gz UCUVQVAKGGOYLA-UHFFFAOYSA-N -1 0 304.371 3.312 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000006726746 333000361 /nfs/dbraw/zinc/00/03/61/333000361.db2.gz LFZYMTPHOSJGOD-VHSXEESVSA-N -1 0 313.300 3.118 50 0 DGAARM COc1cccc(-c2ncnc3sc(C(=O)[O-])c(C)c32)c1 ZINC000534588380 334293214 /nfs/dbraw/zinc/29/32/14/334293214.db2.gz HUPBXMLJHJXVLT-UHFFFAOYSA-N -1 0 300.339 3.374 50 0 DGAARM C[C@H](O)c1nc2cc(-c3ccc(CCC(=O)[O-])cc3)ccc2[nH]1 ZINC000534646544 334306390 /nfs/dbraw/zinc/30/63/90/334306390.db2.gz ZBHYTSBIPBCXLP-NSHDSACASA-N -1 0 310.353 3.300 50 0 DGAARM C[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1ccccc1 ZINC000077392720 545738600 /nfs/dbraw/zinc/73/86/00/545738600.db2.gz WPPSFRODHOHIGS-LBPRGKRZSA-N -1 0 320.352 3.410 50 0 DGAARM CCc1ccccc1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221034070 546265455 /nfs/dbraw/zinc/26/54/55/546265455.db2.gz BUFROQVSBNIRJD-HUUCEWRRSA-N -1 0 319.401 3.427 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000221033886 546265513 /nfs/dbraw/zinc/26/55/13/546265513.db2.gz RQVXBFVMALLQRY-GJZGRUSLSA-N -1 0 319.401 3.329 50 0 DGAARM CC(C)(CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])C(F)(F)F ZINC000263520356 546341727 /nfs/dbraw/zinc/34/17/27/546341727.db2.gz GXEQKBKSVBLRCZ-SNVBAGLBSA-N -1 0 309.328 3.211 50 0 DGAARM CCc1onc(-c2sccc2Br)c1C(=O)[O-] ZINC000675057365 548148697 /nfs/dbraw/zinc/14/86/97/548148697.db2.gz CPAQNFSRTBJWHK-UHFFFAOYSA-N -1 0 302.149 3.426 50 0 DGAARM COc1cc(/C=C/c2ccncn2)cc(Br)c1O ZINC000170059070 575288356 /nfs/dbraw/zinc/28/83/56/575288356.db2.gz QGQBKBDGCQYHAL-NSCUHMNNSA-N -1 0 307.147 3.124 50 0 DGAARM Cc1sc(C(=O)[O-])cc1NC(=O)c1cc(C(C)(C)C)nn1C ZINC000863981843 621724191 /nfs/dbraw/zinc/72/41/91/621724191.db2.gz NRPWAKCZAOTVGT-UHFFFAOYSA-N -1 0 321.402 3.038 50 0 DGAARM O=C([O-])c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1 ZINC000096006576 657497501 /nfs/dbraw/zinc/49/75/01/657497501.db2.gz CBVWNABSYJDUQY-ZZXKWVIFSA-N -1 0 310.231 3.070 50 0 DGAARM COc1ccc(-c2onc(N3CCCCCC3)c2C(=O)[O-])cc1 ZINC001772702278 1176672081 /nfs/dbraw/zinc/67/20/81/1176672081.db2.gz CLMIPOVZWWJNHR-UHFFFAOYSA-N -1 0 316.357 3.429 50 0 DGAARM CCOc1ccc([C@H](CC)Nc2cnc(C(=O)[O-])cn2)cc1 ZINC001506419082 1186225561 /nfs/dbraw/zinc/22/55/61/1186225561.db2.gz WZCLMNIFIOCEGJ-ZDUSSCGKSA-N -1 0 301.346 3.137 50 0 DGAARM CO[C@H](C)c1ccc(-c2nc(SC)ncc2C(=O)[O-])cc1 ZINC001506421409 1186226261 /nfs/dbraw/zinc/22/62/61/1186226261.db2.gz IZWYZYHHMYQNSR-SECBINFHSA-N -1 0 304.371 3.271 50 0 DGAARM CCC1(CC)CN([C@@H](C(=O)[O-])c2cc(C)ccc2OC)CCO1 ZINC001529155613 1187537701 /nfs/dbraw/zinc/53/77/01/1187537701.db2.gz WEJBGJRFTNEYCI-MRXNPFEDSA-N -1 0 321.417 3.020 50 0 DGAARM CN(CC[C@@H]1CCCCO1)c1cc(C(=O)[O-])c2ccccc2n1 ZINC001529179604 1187539274 /nfs/dbraw/zinc/53/92/74/1187539274.db2.gz YXPXIWQSSNAYGI-ZDUSSCGKSA-N -1 0 314.385 3.328 50 0 DGAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2CC(C)(C)C)cc1 ZINC000584906732 1083009074 /nfs/dbraw/zinc/00/90/74/1083009074.db2.gz XFVGVWSDMFNNSS-HOCLYGCPSA-N -1 0 319.401 3.106 50 0 DGAARM Cc1cc(CNC(=O)C[C@H](CC(=O)[O-])c2cccs2)c(C)o1 ZINC000090607359 185306558 /nfs/dbraw/zinc/30/65/58/185306558.db2.gz WUSZOOMPIHNMQD-GFCCVEGCSA-N -1 0 321.398 3.223 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(F)cc1 ZINC000096999815 185395963 /nfs/dbraw/zinc/39/59/63/185395963.db2.gz QQUDTHVWRIFMNR-JTQLQIEISA-N -1 0 311.696 3.018 50 0 DGAARM Cc1oc(CN(C)C(=O)CCc2ccccc2F)cc1C(=O)[O-] ZINC000095425065 185361649 /nfs/dbraw/zinc/36/16/49/185361649.db2.gz FDPWIHWPITVUQP-UHFFFAOYSA-N -1 0 319.332 3.017 50 0 DGAARM C[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC000095427683 185361907 /nfs/dbraw/zinc/36/19/07/185361907.db2.gz LAONNMDOBIDHHD-LLVKDONJSA-N -1 0 301.317 3.195 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl ZINC000097016184 185397392 /nfs/dbraw/zinc/39/73/92/185397392.db2.gz JUQOADYNLUUPBL-UHFFFAOYSA-N -1 0 311.124 3.339 50 0 DGAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccsc1 ZINC000097017391 185397556 /nfs/dbraw/zinc/39/75/56/185397556.db2.gz SHGRMVGBWMNOKD-FZMZJTMJSA-N -1 0 303.383 3.184 50 0 DGAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CC=CCC1 ZINC000097018131 185397790 /nfs/dbraw/zinc/39/77/90/185397790.db2.gz ZEVGOVKCLHVPIS-GFCCVEGCSA-N -1 0 323.339 3.124 50 0 DGAARM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000097018540 185398001 /nfs/dbraw/zinc/39/80/01/185398001.db2.gz MAGAGVDLFNJYPK-GFCCVEGCSA-N -1 0 315.344 3.286 50 0 DGAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000069972259 190845248 /nfs/dbraw/zinc/84/52/48/190845248.db2.gz TXHALRCJMPTBON-UHFFFAOYSA-N -1 0 311.382 3.021 50 0 DGAARM CCCc1cncnc1N1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072161872 191062213 /nfs/dbraw/zinc/06/22/13/191062213.db2.gz PWEAALZKTKRMLC-CQSZACIVSA-N -1 0 311.385 3.121 50 0 DGAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000000123812 180700630 /nfs/dbraw/zinc/70/06/30/180700630.db2.gz RJPJBRVAOGKWOD-LLVKDONJSA-N -1 0 310.305 3.312 50 0 biogenic DGAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000000147746 180708477 /nfs/dbraw/zinc/70/84/77/180708477.db2.gz WUPNUDZOTFDFSQ-UHFFFAOYSA-N -1 0 310.444 3.395 50 0 DGAARM COc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1 ZINC000000461433 180798701 /nfs/dbraw/zinc/79/87/01/180798701.db2.gz UHJUDYCXAKZNKH-UHFFFAOYSA-N -1 0 320.370 3.012 50 0 DGAARM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)OCc1ccccc1 ZINC000002556686 180934670 /nfs/dbraw/zinc/93/46/70/180934670.db2.gz MNABZONTQXNLDT-OAHLLOKOSA-N -1 0 305.374 3.336 50 0 DGAARM Cc1ccc(N2C(=O)C[C@H](C(=O)[O-])[C@@H]2c2cccs2)cc1 ZINC000003888164 181052746 /nfs/dbraw/zinc/05/27/46/181052746.db2.gz PRTGINCKDPPNSZ-SWLSCSKDSA-N -1 0 301.367 3.235 50 0 DGAARM Cc1ccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccccc2)cc1 ZINC000004170355 181082054 /nfs/dbraw/zinc/08/20/54/181082054.db2.gz ADAIDEJRQDIPQF-UHFFFAOYSA-N -1 0 320.352 3.223 50 0 DGAARM O=C([O-])c1cc(Nc2nc(-c3cccnc3)cs2)ccc1O ZINC000004178420 181082227 /nfs/dbraw/zinc/08/22/27/181082227.db2.gz NWFLAKFKXVFOCJ-UHFFFAOYSA-N -1 0 313.338 3.353 50 0 DGAARM O=C([O-])c1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000004185547 181083517 /nfs/dbraw/zinc/08/35/17/181083517.db2.gz RLRQRFKAAPFLKS-UHFFFAOYSA-N -1 0 315.300 3.126 50 0 DGAARM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236801615 202017508 /nfs/dbraw/zinc/01/75/08/202017508.db2.gz GLAUXMQJVFWQTN-IRXDYDNUSA-N -1 0 315.413 3.237 50 0 DGAARM CC[C@H](C)N1C(=O)S/C(=C/c2ccc(C(=O)[O-])cc2)C1=O ZINC000004350113 181101295 /nfs/dbraw/zinc/10/12/95/181101295.db2.gz CDEHCKCDXDGRSX-KWINOFQJSA-N -1 0 305.355 3.220 50 0 DGAARM O=C([O-])CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000004945047 181177491 /nfs/dbraw/zinc/17/74/91/181177491.db2.gz OEMUTBSCBVVHRB-UHFFFAOYSA-N -1 0 310.309 3.298 50 0 DGAARM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)c(C)c1C ZINC000004970497 181181405 /nfs/dbraw/zinc/18/14/05/181181405.db2.gz RMPPQDQBIKDPBR-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000005154343 181211075 /nfs/dbraw/zinc/21/10/75/181211075.db2.gz JIELZUKHUWEYCA-UHFFFAOYSA-N -1 0 306.369 3.116 50 0 DGAARM COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)[O-])cc1 ZINC000005935004 181297816 /nfs/dbraw/zinc/29/78/16/181297816.db2.gz IIVBHUZWOHMSMY-UHFFFAOYSA-N -1 0 308.337 3.175 50 0 DGAARM C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237557959 202283450 /nfs/dbraw/zinc/28/34/50/202283450.db2.gz SYIBJPSJUNUGTP-HIFRSBDPSA-N -1 0 321.392 3.250 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237658568 202319878 /nfs/dbraw/zinc/31/98/78/202319878.db2.gz CLEAIGUJIHZAFG-QGZVFWFLSA-N -1 0 317.316 3.023 50 0 DGAARM CCc1cccc(CC)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006125528 181314766 /nfs/dbraw/zinc/31/47/66/181314766.db2.gz OYCVZLJRWLWZNI-HUUCEWRRSA-N -1 0 301.386 3.417 50 0 DGAARM C[C@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000450529743 240751288 /nfs/dbraw/zinc/75/12/88/240751288.db2.gz AAZQQSPREDAURV-AWEZNQCLSA-N -1 0 323.392 3.291 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000013225151 304142227 /nfs/dbraw/zinc/14/22/27/304142227.db2.gz GPMRWWDIUGJBIG-BPNCWPANSA-N -1 0 307.777 3.198 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc2cc[nH]c21 ZINC000245344033 304144404 /nfs/dbraw/zinc/14/44/04/304144404.db2.gz WZBQFYLEFMDEFY-CFVMTHIKSA-N -1 0 312.369 3.026 50 0 DGAARM Cc1[nH]ccc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095375263 193436567 /nfs/dbraw/zinc/43/65/67/193436567.db2.gz FIPUJHUYVFYZFO-HNNXBMFYSA-N -1 0 312.369 3.041 50 0 DGAARM Cc1cc(CN(C)[C@H](C(=O)[O-])c2cc(C)ccc2Cl)on1 ZINC000095383802 193441075 /nfs/dbraw/zinc/44/10/75/193441075.db2.gz KCZJYJOZBSJGGJ-AWEZNQCLSA-N -1 0 308.765 3.203 50 0 DGAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccs1 ZINC000096479655 193663035 /nfs/dbraw/zinc/66/30/35/193663035.db2.gz VBFWOXNOOZQLDI-VHSXEESVSA-N -1 0 309.412 3.245 50 0 DGAARM CC(C)Oc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000010683944 181676622 /nfs/dbraw/zinc/67/66/22/181676622.db2.gz DDMFHZODDACATK-OLZOCXBDSA-N -1 0 305.374 3.303 50 0 DGAARM COc1ccc(-c2csc(NC(=O)C3CC3)c2C(=O)[O-])cc1 ZINC000012919570 181811653 /nfs/dbraw/zinc/81/16/53/181811653.db2.gz AKYOSKFMGSENHL-UHFFFAOYSA-N -1 0 317.366 3.470 50 0 DGAARM CC(=O)c1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000013252506 181839837 /nfs/dbraw/zinc/83/98/37/181839837.db2.gz LKQUXGQLZDQDJG-MRXNPFEDSA-N -1 0 311.337 3.086 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnn(-c2ccccc2)c1 ZINC000013258688 181839858 /nfs/dbraw/zinc/83/98/58/181839858.db2.gz XHRNJPVFAYAFNM-UHFFFAOYSA-N -1 0 321.336 3.131 50 0 DGAARM CC(=O)c1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000013796026 181898232 /nfs/dbraw/zinc/89/82/32/181898232.db2.gz WLZRUWIAQSEPOG-UHFFFAOYSA-N -1 0 314.366 3.396 50 0 DGAARM COc1ccc(Nc2nnc(-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000016777322 182060167 /nfs/dbraw/zinc/06/01/67/182060167.db2.gz SVIACESEBOZKRN-UHFFFAOYSA-N -1 0 308.341 3.305 50 0 DGAARM COc1ccccc1CCn1c(=O)c2ccccc2[n-]c1=S ZINC000017032499 182070833 /nfs/dbraw/zinc/07/08/33/182070833.db2.gz VBEJERZBSFIAOR-UHFFFAOYSA-N -1 0 312.394 3.310 50 0 DGAARM Cc1n[nH]c(SC(=Cc2ccc(OC(C)C)cc2)C(=O)[O-])n1 ZINC000016957040 182066396 /nfs/dbraw/zinc/06/63/96/182066396.db2.gz DJHGYVWIXAPUMZ-JYRVWZFOSA-N -1 0 319.386 3.118 50 0 DGAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000017031207 182069529 /nfs/dbraw/zinc/06/95/29/182069529.db2.gz LILFFRZYPAMDRI-NSHDSACASA-N -1 0 305.403 3.099 50 0 DGAARM CC(C)CC1C(=O)N=C(SCc2ccc(F)cc2)N=C1[O-] ZINC000017086436 182075278 /nfs/dbraw/zinc/07/52/78/182075278.db2.gz VZFCBVNSLQFQMG-UHFFFAOYSA-N -1 0 308.378 3.105 50 0 DGAARM Nc1ccccc1-c1nnc(SCc2ccccc2)[n-]c1=O ZINC000018080957 182092648 /nfs/dbraw/zinc/09/26/48/182092648.db2.gz IISRTHZLTGBVMU-UHFFFAOYSA-N -1 0 310.382 3.119 50 0 DGAARM Cc1cc(=O)n2nc(SCc3ccc(Cl)cc3)[n-]c2n1 ZINC000018240916 182100118 /nfs/dbraw/zinc/10/01/18/182100118.db2.gz HFDSPNORIYTJRS-UHFFFAOYSA-N -1 0 306.778 3.084 50 0 DGAARM O=C([O-])c1cccnc1Sc1ccc(Br)cn1 ZINC000019484330 182125407 /nfs/dbraw/zinc/12/54/07/182125407.db2.gz ANJURJMSRSVSPN-UHFFFAOYSA-N -1 0 311.160 3.089 50 0 DGAARM O=S(=O)(C=C([O-])c1ccc(Cl)s1)c1ccccc1 ZINC000019849270 182157291 /nfs/dbraw/zinc/15/72/91/182157291.db2.gz FSVNKXIRXJVSMC-UHFFFAOYSA-N -1 0 300.788 3.058 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1cccnc1Cl ZINC000022408635 182320794 /nfs/dbraw/zinc/32/07/94/182320794.db2.gz XWXSNVSJZSHLDB-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM CCn1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1 ZINC000024577347 182383727 /nfs/dbraw/zinc/38/37/27/182383727.db2.gz JGZXFDSTBTZOFT-UHFFFAOYSA-N -1 0 321.446 3.246 50 0 DGAARM Cn1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cn1 ZINC000032888136 182674150 /nfs/dbraw/zinc/67/41/50/182674150.db2.gz GKKRORWYKFEFFF-XYOKQWHBSA-N -1 0 305.337 3.153 50 0 DGAARM O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccs2)C1 ZINC000180322310 304202648 /nfs/dbraw/zinc/20/26/48/304202648.db2.gz UGVUCVIFDKHPJD-KGLIPLIRSA-N -1 0 315.394 3.079 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(F)c1)C(=O)[O-] ZINC000039795852 183022506 /nfs/dbraw/zinc/02/25/06/183022506.db2.gz ZOWFREFSRRIXOC-KRWDZBQOSA-N -1 0 323.364 3.223 50 0 DGAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040429681 183066253 /nfs/dbraw/zinc/06/62/53/183066253.db2.gz IWKUICDSRFXKRI-SNVBAGLBSA-N -1 0 303.145 3.074 50 0 DGAARM O=C([O-])c1cnc(/C=C/c2cnn(Cc3ccccc3)c2)s1 ZINC000058391605 184111189 /nfs/dbraw/zinc/11/11/89/184111189.db2.gz GMEIQBVPBANFPE-VOTSOKGWSA-N -1 0 311.366 3.257 50 0 DGAARM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063808994 184289136 /nfs/dbraw/zinc/28/91/36/184289136.db2.gz ZPZHRWPQEYHHHS-SKDRFNHKSA-N -1 0 317.414 3.306 50 0 DGAARM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)c2cccs2)c1 ZINC000064820566 184303931 /nfs/dbraw/zinc/30/39/31/184303931.db2.gz KERDMQSQGAZUOC-UHFFFAOYSA-N -1 0 316.382 3.299 50 0 DGAARM C[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000095991811 296351141 /nfs/dbraw/zinc/35/11/41/296351141.db2.gz IGVAKTSETRULGA-CZUORRHYSA-N -1 0 303.402 3.355 50 0 DGAARM O=C([O-])c1ccc(I)cc1C(F)(F)F ZINC000020436066 304245641 /nfs/dbraw/zinc/24/56/41/304245641.db2.gz XSQLEPZNGCNYKF-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM CCCc1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000120193532 195115086 /nfs/dbraw/zinc/11/50/86/195115086.db2.gz KFGAODLPOZEKHC-UHFFFAOYSA-N -1 0 304.371 3.355 50 0 DGAARM CNC(=O)c1cnc(/C=C\c2cccc(C(=O)[O-])c2Cl)s1 ZINC000345730122 254392282 /nfs/dbraw/zinc/39/22/82/254392282.db2.gz YGSQTUOWEXIXFC-WAYWQWQTSA-N -1 0 322.773 3.025 50 0 DGAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000000130467 304266978 /nfs/dbraw/zinc/26/69/78/304266978.db2.gz UWKGWXKBMKHPLR-UHFFFAOYSA-N -1 0 310.231 3.051 50 0 DGAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000000083426 304267177 /nfs/dbraw/zinc/26/71/77/304267177.db2.gz RVLIVDPEIKFJMG-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N(C)Cc1ccccn1 ZINC000095378019 257272000 /nfs/dbraw/zinc/27/20/00/257272000.db2.gz VTDHUUYMLLPAIN-HNNXBMFYSA-N -1 0 320.776 3.001 50 0 DGAARM O=C(C[C@@H]1CCc2ccccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000243892811 257259603 /nfs/dbraw/zinc/25/96/03/257259603.db2.gz ALQBJRUEXBNWDG-BPUTZDHNSA-N -1 0 315.413 3.114 50 0 DGAARM O=C([O-])c1coc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000183792274 304280526 /nfs/dbraw/zinc/28/05/26/304280526.db2.gz HMNNQWZKSXLRGZ-GFCCVEGCSA-N -1 0 303.314 3.328 50 0 DGAARM O=C([O-])CCc1ccccc1C(=O)NC1CC(c2ccccc2)C1 ZINC000585134069 400127505 /nfs/dbraw/zinc/12/75/05/400127505.db2.gz CHTIGFVLYOHIJF-UHFFFAOYSA-N -1 0 323.392 3.380 50 0 DGAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C ZINC000384994575 400260785 /nfs/dbraw/zinc/26/07/85/400260785.db2.gz RELNVANJRBRYQO-HTRCEHHLSA-N -1 0 312.163 3.050 50 0 DGAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000032971280 400377496 /nfs/dbraw/zinc/37/74/96/400377496.db2.gz XKDIUBBHMBSZFP-UHFFFAOYSA-N -1 0 322.317 3.183 50 0 DGAARM O=C([O-])Cc1csc(-c2sccc2Br)n1 ZINC000168993639 400758310 /nfs/dbraw/zinc/75/83/10/400758310.db2.gz OPAUDDNBDDMLCA-UHFFFAOYSA-N -1 0 304.190 3.261 50 0 DGAARM CCc1ccc2nc(-c3nnc(-c4ccccc4)o3)[n-]c(=O)c2c1 ZINC000170610689 400765721 /nfs/dbraw/zinc/76/57/21/400765721.db2.gz XUVXXCULQUWQCO-UHFFFAOYSA-N -1 0 318.336 3.203 50 0 DGAARM O=C([O-])c1ccc(NN=Cc2ccccc2OC(F)F)cc1 ZINC000245284682 401004835 /nfs/dbraw/zinc/00/48/35/401004835.db2.gz TYOHXHAXMXMJCJ-UHFFFAOYSA-N -1 0 306.268 3.432 50 0 DGAARM O=C([O-])c1cccc(NC(=O)C2(c3cccnc3)CCCC2)c1 ZINC000630133178 401196183 /nfs/dbraw/zinc/19/61/83/401196183.db2.gz WXCBUDIKIURKCY-UHFFFAOYSA-N -1 0 310.353 3.230 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000630193165 401213513 /nfs/dbraw/zinc/21/35/13/401213513.db2.gz ZBNICDUKWXGFKI-CYBMUJFWSA-N -1 0 321.373 3.368 50 0 DGAARM CC1(C)CCC(C)(C)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000630235885 401223614 /nfs/dbraw/zinc/22/36/14/401223614.db2.gz JUIUDYIAZYPKIB-UHFFFAOYSA-N -1 0 303.402 3.355 50 0 DGAARM CC(C)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262993329 165827094 /nfs/dbraw/zinc/82/70/94/165827094.db2.gz MCJQDDLHIGODCN-OCCSQVGLSA-N -1 0 324.808 3.153 50 0 DGAARM CN(CCC1CCOCC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137024742 432168930 /nfs/dbraw/zinc/16/89/30/432168930.db2.gz IWVLODLQFDOZAC-UHFFFAOYSA-N -1 0 320.414 3.005 50 0 DGAARM Cc1noc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1C ZINC000269637821 432191168 /nfs/dbraw/zinc/19/11/68/432191168.db2.gz QUIQIMOHWXQLGV-UHFFFAOYSA-N -1 0 314.432 3.451 50 0 DGAARM Cc1oc(CN(C)C(=O)C2CCC(F)(F)CC2)cc1C(=O)[O-] ZINC000190891778 432199318 /nfs/dbraw/zinc/19/93/18/432199318.db2.gz NROMFSZDPWMENQ-UHFFFAOYSA-N -1 0 315.316 3.070 50 0 DGAARM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)sc1C ZINC000131984997 196216648 /nfs/dbraw/zinc/21/66/48/196216648.db2.gz OIMWQBVWBZMKRO-GFCCVEGCSA-N -1 0 301.367 3.194 50 0 DGAARM O=S(=O)([N-]c1ccccn1)c1cc(Cl)ccc1Cl ZINC000000029681 425529824 /nfs/dbraw/zinc/52/98/24/425529824.db2.gz BZDFKUYNBYPTQR-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])cc1 ZINC000004724639 278248440 /nfs/dbraw/zinc/24/84/40/278248440.db2.gz NCLVMCJUOXOLOL-UONOGXRCSA-N -1 0 321.760 3.061 50 0 DGAARM CC(C)(C)OC(=O)N1CCCCN1[C@@H](C(=O)[O-])c1ccccc1 ZINC000012336494 278385935 /nfs/dbraw/zinc/38/59/35/278385935.db2.gz RLHAFQHEBBLIGL-CQSZACIVSA-N -1 0 320.389 3.060 50 0 DGAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccccc1 ZINC000033882794 278420726 /nfs/dbraw/zinc/42/07/26/278420726.db2.gz QTGJLLUGEPDNFX-NWDGAFQWSA-N -1 0 309.387 3.122 50 0 DGAARM CCOC(=O)NC1([N-]c2ccc(C)cc2)Oc2ccccc2O1 ZINC000000045404 431114791 /nfs/dbraw/zinc/11/47/91/431114791.db2.gz ITCRMCFLXLXMHC-UHFFFAOYSA-N -1 0 314.341 3.236 50 0 DGAARM CCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])o3)ccc12 ZINC000000091030 431121099 /nfs/dbraw/zinc/12/10/99/431121099.db2.gz FKVXJHHQXPZHBC-UHFFFAOYSA-N -1 0 314.293 3.226 50 0 biogenic DGAARM O=C([O-])CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000000085006 431122072 /nfs/dbraw/zinc/12/20/72/431122072.db2.gz FGIBWKPQWXRUBP-OAHLLOKOSA-N -1 0 313.378 3.341 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000192134 431141415 /nfs/dbraw/zinc/14/14/15/431141415.db2.gz WKHHLRIEEVZRNK-RNFRBKRXSA-N -1 0 313.564 3.082 50 0 DGAARM [O-]C1=C[C@@](O)(C(F)(F)C(F)(F)F)Oc2ccc(Cl)cc21 ZINC000000307341 431162101 /nfs/dbraw/zinc/16/21/01/431162101.db2.gz RAGNJUVFRICLPK-VIFPVBQESA-N -1 0 316.609 3.191 50 0 DGAARM O=C([O-])Cn1c2ccccc2nc1SCCc1ccccc1 ZINC000000322381 431165376 /nfs/dbraw/zinc/16/53/76/431165376.db2.gz XPEGWWFFVVCBFO-UHFFFAOYSA-N -1 0 312.394 3.456 50 0 DGAARM Nc1nc(Nc2ccccc2)nc(-c2cc(Cl)ccc2[O-])n1 ZINC000000405424 431175258 /nfs/dbraw/zinc/17/52/58/431175258.db2.gz GLZDHSRHLCFCED-UHFFFAOYSA-N -1 0 313.748 3.223 50 0 in-vitro DGAARM C[C@H](Oc1ccc(Br)cc1Br)C(=O)[O-] ZINC000000393688 431175730 /nfs/dbraw/zinc/17/57/30/431175730.db2.gz BNJNLGGUPKGAHB-YFKPBYRVSA-N -1 0 323.968 3.064 50 0 DGAARM C[C@@H](Oc1ccc(Br)cc1Br)C(=O)[O-] ZINC000000393689 431176663 /nfs/dbraw/zinc/17/66/63/431176663.db2.gz BNJNLGGUPKGAHB-RXMQYKEDSA-N -1 0 323.968 3.064 50 0 DGAARM CO[N-]C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000069489915 431193396 /nfs/dbraw/zinc/19/33/96/431193396.db2.gz GOMMSTQMCRHEKP-UHFFFAOYSA-N -1 0 316.304 3.049 50 0 DGAARM Cc1nc2sc3c(c2c(N[C@H](C(=O)[O-])C(C)C)n1)CCCC3 ZINC000000237030 431150562 /nfs/dbraw/zinc/15/05/62/431150562.db2.gz FTDMZGKXDCQUOP-ZDUSSCGKSA-N -1 0 319.430 3.400 50 0 DGAARM CC(=O)Nc1ccc(-c2csc([N-]c3ncccn3)n2)cc1 ZINC000000612409 431204968 /nfs/dbraw/zinc/20/49/68/431204968.db2.gz WBIKZIUPVHWZJJ-UHFFFAOYSA-N -1 0 311.370 3.302 50 0 DGAARM O=C([O-])c1ccc(Nc2nc(-c3ccncc3)cs2)cc1O ZINC000000612918 431205490 /nfs/dbraw/zinc/20/54/90/431205490.db2.gz ZHTOXLKEWGYQIX-UHFFFAOYSA-N -1 0 313.338 3.353 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000002554977 431258097 /nfs/dbraw/zinc/25/80/97/431258097.db2.gz URKWHOVNPHQQTM-OAHLLOKOSA-N -1 0 315.369 3.360 50 0 DGAARM O=C([O-])COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 ZINC000001236739 431215923 /nfs/dbraw/zinc/21/59/23/431215923.db2.gz REOKQVGMRXJERQ-UHFFFAOYSA-N -1 0 314.268 3.063 50 0 DGAARM CC(=O)c1cnc([N-]c2nc(C)c3cc(C)ccc3n2)nc1C ZINC000001268813 431217389 /nfs/dbraw/zinc/21/73/89/431217389.db2.gz SYBAFJOSFWATHF-UHFFFAOYSA-N -1 0 307.357 3.291 50 0 DGAARM CCSc1ncc(-c2cc(C(=O)[O-])c3ccccc3n2)n1C ZINC000001405842 431225217 /nfs/dbraw/zinc/22/52/17/431225217.db2.gz YIBCPWMUENCDIY-UHFFFAOYSA-N -1 0 313.382 3.446 50 0 DGAARM Cc1cc(C)c2oc(-c3ccc(C(=O)[O-])cc3)c(O)c(=O)c2c1 ZINC000001961563 431243036 /nfs/dbraw/zinc/24/30/36/431243036.db2.gz ZBNPSOSXNCSQRT-UHFFFAOYSA-N -1 0 310.305 3.481 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000002244254 431247281 /nfs/dbraw/zinc/24/72/81/431247281.db2.gz HRBQDQOOFCWHTR-AWEZNQCLSA-N -1 0 301.342 3.490 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C/C=C/c1ccccc1)CC(=O)[O-] ZINC000002385925 431252143 /nfs/dbraw/zinc/25/21/43/431252143.db2.gz ZEIROKVMYFFJKQ-RNVIBTMRSA-N -1 0 305.374 3.458 50 0 DGAARM CCCc1cc(=O)[nH]c(SCc2nc3ccccc3[nH]2)n1 ZINC000005013404 431303673 /nfs/dbraw/zinc/30/36/73/431303673.db2.gz HMEOZYTVHVWHDZ-UHFFFAOYSA-N -1 0 300.387 3.303 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002737738 431265808 /nfs/dbraw/zinc/26/58/08/431265808.db2.gz CRZMVVBSYZLCHT-JKSUJKDBSA-N -1 0 316.401 3.138 50 0 DGAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccc(F)cc1 ZINC000002838375 431273072 /nfs/dbraw/zinc/27/30/72/431273072.db2.gz PXJYRTOSCWMNKV-UHFFFAOYSA-N -1 0 323.707 3.195 50 0 DGAARM O=C([O-])[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000002862961 431273085 /nfs/dbraw/zinc/27/30/85/431273085.db2.gz CKNODQYMGLQAJZ-ZDUSSCGKSA-N -1 0 304.733 3.287 50 0 DGAARM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(O)c1 ZINC000006847301 431322109 /nfs/dbraw/zinc/32/21/09/431322109.db2.gz SACUDHPHHMLWQV-UHFFFAOYSA-N -1 0 305.374 3.454 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000007057343 431331946 /nfs/dbraw/zinc/33/19/46/431331946.db2.gz SWHMDHHMWBLEOZ-MDZDMXLPSA-N -1 0 317.366 3.106 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000007057420 431332505 /nfs/dbraw/zinc/33/25/05/431332505.db2.gz XLMVMTGXXVWMSO-UHFFFAOYSA-N -1 0 319.382 3.089 50 0 DGAARM CCCCCCSc1nnc(-c2ccccc2N)c(=O)[n-]1 ZINC000009804807 431447067 /nfs/dbraw/zinc/44/70/67/431447067.db2.gz PELGEWWSMJKVOO-UHFFFAOYSA-N -1 0 304.419 3.499 50 0 DGAARM CC(C)Oc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000010715455 431465672 /nfs/dbraw/zinc/46/56/72/431465672.db2.gz ZMQMOMLVQJFICQ-CABCVRRESA-N -1 0 305.374 3.303 50 0 DGAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000011613764 431478410 /nfs/dbraw/zinc/47/84/10/431478410.db2.gz HPBPGJZIICAAMO-UHFFFAOYSA-N -1 0 320.414 3.189 50 0 DGAARM C[C@@H](Oc1ccc2cc(-c3cccs3)c(=O)oc2c1)C(=O)[O-] ZINC000011766223 431479876 /nfs/dbraw/zinc/47/98/76/431479876.db2.gz XECQVTAKVHKIHF-SECBINFHSA-N -1 0 316.334 3.373 50 0 DGAARM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1C ZINC000012560565 431516034 /nfs/dbraw/zinc/51/60/34/431516034.db2.gz PXCRFYSCVMHCHD-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1c[nH]c2ncccc12 ZINC000075535551 431483365 /nfs/dbraw/zinc/48/33/65/431483365.db2.gz LSRFDLYFVJIWLV-UHFFFAOYSA-N -1 0 307.762 3.017 50 0 DGAARM Cc1noc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)[O-])c12 ZINC000012396172 431507048 /nfs/dbraw/zinc/50/70/48/431507048.db2.gz AHTPLTMUFRRYED-UHFFFAOYSA-N -1 0 320.251 3.498 50 0 DGAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000012508633 431512383 /nfs/dbraw/zinc/51/23/83/431512383.db2.gz CBJTZOQCUCAHOT-MDZDMXLPSA-N -1 0 317.366 3.106 50 0 DGAARM Cc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC000013181487 431549212 /nfs/dbraw/zinc/54/92/12/431549212.db2.gz RFFUWKQMHBCXBF-ZDUSSCGKSA-N -1 0 318.398 3.014 50 0 DGAARM COc1ccc(C)cc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000013389945 431554727 /nfs/dbraw/zinc/55/47/27/431554727.db2.gz CUHZUXLOMBAJQB-GFCCVEGCSA-N -1 0 319.382 3.011 50 0 DGAARM [O-]c1c(I)cc(Cl)c2cccnc12 ZINC000006409735 280450864 /nfs/dbraw/zinc/45/08/64/280450864.db2.gz QCDFBFJGMNKBDO-UHFFFAOYSA-N -1 0 305.502 3.198 50 0 aggregator,fda DGAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000028249129 431703821 /nfs/dbraw/zinc/70/38/21/431703821.db2.gz YGBRJFYNSFXNNP-UHFFFAOYSA-N -1 0 321.402 3.227 50 0 DGAARM COc1ccc(CN(C)C(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC000032722403 431788952 /nfs/dbraw/zinc/78/89/52/431788952.db2.gz XVXPKCMEEMAPIB-UHFFFAOYSA-N -1 0 323.751 3.466 50 0 DGAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1cc2ccccc2[nH]1 ZINC000032919107 431801998 /nfs/dbraw/zinc/80/19/98/431801998.db2.gz LDTPEGGFXPAONH-SJORKVTESA-N -1 0 320.348 3.163 50 0 DGAARM O=C([O-])c1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1 ZINC000033559699 431814974 /nfs/dbraw/zinc/81/49/74/431814974.db2.gz LMBNTWMKERIEFY-UHFFFAOYSA-N -1 0 302.717 3.494 50 0 DGAARM COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000032496803 431781559 /nfs/dbraw/zinc/78/15/59/431781559.db2.gz GMYUEBZYFFJSGU-QWRGUYRKSA-N -1 0 323.776 3.263 50 0 DGAARM O=C([O-])c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O ZINC000036721609 431840908 /nfs/dbraw/zinc/84/09/08/431840908.db2.gz FPZUCNBUSYYDKZ-UHFFFAOYSA-N -1 0 307.520 3.236 50 0 DGAARM O=C([O-])c1cccc(S(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000037309957 431846251 /nfs/dbraw/zinc/84/62/51/431846251.db2.gz HUBDNPYEQBUGHW-UHFFFAOYSA-N -1 0 310.758 3.012 50 0 DGAARM CN(Cc1ccc(F)c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000044438181 431873883 /nfs/dbraw/zinc/87/38/83/431873883.db2.gz RDTZVUFQYORSQE-UHFFFAOYSA-N -1 0 321.352 3.307 50 0 DGAARM Cc1nc2c(OCc3ccccc3C)cccn2c1CC(=O)[O-] ZINC000036222935 431836853 /nfs/dbraw/zinc/83/68/53/431836853.db2.gz RIKYNPYZWQOSKF-UHFFFAOYSA-N -1 0 310.353 3.157 50 0 DGAARM COCCCOc1cc(/C=C(\C(=O)[O-])C(C)C)ccc1OC ZINC000085473303 431839715 /nfs/dbraw/zinc/83/97/15/431839715.db2.gz VPJJDEYLAURBLW-UVTDQMKNSA-N -1 0 308.374 3.235 50 0 DGAARM [O-]c1c(Br)cc(C(F)(F)F)nc1Br ZINC000047218591 431907095 /nfs/dbraw/zinc/90/70/95/431907095.db2.gz CWBQWGGBPLWHMW-UHFFFAOYSA-N -1 0 320.890 3.331 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc2ncccc2c1 ZINC000095959432 431928201 /nfs/dbraw/zinc/92/82/01/431928201.db2.gz RRKFTDBVTFSMTM-UHFFFAOYSA-N -1 0 320.348 3.205 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000095970427 431929909 /nfs/dbraw/zinc/92/99/09/431929909.db2.gz LKTKXEWWOYFXKZ-ZIAGYGMSSA-N -1 0 315.394 3.175 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccco1)c1ccc(Cl)c(F)c1 ZINC000095989780 431933087 /nfs/dbraw/zinc/93/30/87/431933087.db2.gz STRDILKBAVKRSJ-NSHDSACASA-N -1 0 311.696 3.018 50 0 DGAARM O=C([O-])c1cnc(/C=C\c2nccn2Cc2ccccc2)s1 ZINC000096035715 431934973 /nfs/dbraw/zinc/93/49/73/431934973.db2.gz MEDDDRJUVYDLKJ-SREVYHEPSA-N -1 0 311.366 3.257 50 0 DGAARM Cc1cc(C)cc(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000049002186 431935413 /nfs/dbraw/zinc/93/54/13/431935413.db2.gz VCHBOOOCQSQGJU-UHFFFAOYSA-N -1 0 307.353 3.101 50 0 DGAARM O=C([O-])c1cnc(Oc2cc(C(F)(F)F)ccc2F)cn1 ZINC000049470414 431940820 /nfs/dbraw/zinc/94/08/20/431940820.db2.gz AMHPTTMMIMBNNS-UHFFFAOYSA-N -1 0 302.183 3.125 50 0 DGAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2cccnc2)cc1F ZINC000096288935 431943995 /nfs/dbraw/zinc/94/39/95/431943995.db2.gz JRWLBNUXTUTEJI-HYXAFXHYSA-N -1 0 317.341 3.294 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1cccs1 ZINC000050921345 431949036 /nfs/dbraw/zinc/94/90/36/431949036.db2.gz YOBNTNQXAZZASH-ZDUSSCGKSA-N -1 0 309.431 3.317 50 0 DGAARM C[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000097036777 431957258 /nfs/dbraw/zinc/95/72/58/431957258.db2.gz UTGDDKSNIBSGPT-LBPRGKRZSA-N -1 0 317.410 3.299 50 0 DGAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1 ZINC000100658332 431982622 /nfs/dbraw/zinc/98/26/22/431982622.db2.gz ZIPNXBDPCNVLNU-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM CC1(C)CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000096100836 281081591 /nfs/dbraw/zinc/08/15/91/281081591.db2.gz RMWIIMFQNFCQMW-KGLIPLIRSA-N -1 0 313.397 3.368 50 0 DGAARM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000262549465 281439607 /nfs/dbraw/zinc/43/96/07/281439607.db2.gz SGEMZTDYRDRFIA-NSHDSACASA-N -1 0 315.291 3.188 50 0 DGAARM COc1cnc2ccccc2c1C(=O)Nc1ccc(O)cc1F ZINC000252490845 432380112 /nfs/dbraw/zinc/38/01/12/432380112.db2.gz LCYFAYMCNMDZBC-UHFFFAOYSA-N -1 0 312.300 3.340 50 0 DGAARM Cc1cccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000193062962 432444136 /nfs/dbraw/zinc/44/41/36/432444136.db2.gz OZGVLVJUVHFJFH-LJQANCHMSA-N -1 0 311.381 3.076 50 0 DGAARM CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263561748 432555498 /nfs/dbraw/zinc/55/54/98/432555498.db2.gz CJCCODNJKGPZKD-INIZCTEOSA-N -1 0 313.401 3.328 50 0 DGAARM O=C([O-])Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1F ZINC000263126403 432520753 /nfs/dbraw/zinc/52/07/53/432520753.db2.gz FRBYKWQJQRZBQG-UHFFFAOYSA-N -1 0 315.291 3.217 50 0 DGAARM O=C([O-])CSc1cncc(-c2cc(F)cc3cccnc32)n1 ZINC000215854800 432644513 /nfs/dbraw/zinc/64/45/13/432644513.db2.gz CJFSEALPHJTCLF-UHFFFAOYSA-N -1 0 315.329 3.008 50 0 DGAARM Cc1ccc(-c2cncc(SCC(=O)[O-])n2)c2cccnc12 ZINC000216254690 432650376 /nfs/dbraw/zinc/65/03/76/432650376.db2.gz DRTAQVNVDBZUPV-UHFFFAOYSA-N -1 0 311.366 3.177 50 0 DGAARM COc1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000226751017 432708689 /nfs/dbraw/zinc/70/86/89/432708689.db2.gz NNGCCDOLEWXCDI-NSHDSACASA-N -1 0 319.382 3.344 50 0 DGAARM CN(Cc1cccc2cnccc21)C(=O)c1ccc(F)cc1[O-] ZINC000223332820 432677118 /nfs/dbraw/zinc/67/71/18/432677118.db2.gz IISXNGYBZCQEOX-UHFFFAOYSA-N -1 0 310.328 3.352 50 0 DGAARM CC(C)(C)c1ncc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000236640223 432752893 /nfs/dbraw/zinc/75/28/93/432752893.db2.gz OHGDOLYKFGTPIR-LLVKDONJSA-N -1 0 324.446 3.158 50 0 DGAARM CC(C)c1c(C(=O)[O-])cnn1-c1nccc(-c2cccs2)n1 ZINC000299795963 433387607 /nfs/dbraw/zinc/38/76/07/433387607.db2.gz PFSGZPWNONRTMT-UHFFFAOYSA-N -1 0 314.370 3.212 50 0 DGAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1-c1ccccc1 ZINC000011764770 294039623 /nfs/dbraw/zinc/03/96/23/294039623.db2.gz GIUJWNPOOTZOJL-UHFFFAOYSA-N -1 0 310.305 3.232 50 0 biogenic DGAARM O=C([O-])C/C(=C\c1cc2n(n1)CCCC2)c1nc2ccccc2o1 ZINC000656103788 435890187 /nfs/dbraw/zinc/89/01/87/435890187.db2.gz ILFPVNNPEIZMIP-FMIVXFBMSA-N -1 0 323.352 3.376 50 0 DGAARM O=C([O-])C1(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CCC1 ZINC000663089460 436412621 /nfs/dbraw/zinc/41/26/21/436412621.db2.gz HBKRXEASQFPCJZ-UHFFFAOYSA-N -1 0 305.378 3.041 50 0 DGAARM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc1 ZINC000659144104 436467928 /nfs/dbraw/zinc/46/79/28/436467928.db2.gz CCQYOBBQXACVIT-CQSZACIVSA-N -1 0 318.417 3.168 50 0 DGAARM Cc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000004085511 301844873 /nfs/dbraw/zinc/84/48/73/301844873.db2.gz LTCDNRNJGSQRKJ-CHWSQXEVSA-N -1 0 323.414 3.431 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2c1 ZINC000000368842 301927054 /nfs/dbraw/zinc/92/70/54/301927054.db2.gz CDLAWVHZBLNLRI-QWRGUYRKSA-N -1 0 318.398 3.434 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237631288 302158835 /nfs/dbraw/zinc/15/88/35/302158835.db2.gz XHVNIKYKQJUIMJ-PVAVHDDUSA-N -1 0 315.413 3.344 50 0 DGAARM Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000000267426 302548634 /nfs/dbraw/zinc/54/86/34/302548634.db2.gz BCXMWHNVUUJKRU-UHFFFAOYSA-N -1 0 320.348 3.215 50 0 DGAARM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)nc1 ZINC000580962272 324059021 /nfs/dbraw/zinc/05/90/21/324059021.db2.gz COVVTXSCJBCWNS-CYBMUJFWSA-N -1 0 317.316 3.144 50 0 DGAARM Cc1cc2cc(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc2o1 ZINC000244647111 534085365 /nfs/dbraw/zinc/08/53/65/534085365.db2.gz GVIQJAFSMUWMTF-JOCQHMNTSA-N -1 0 315.369 3.362 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2s1 ZINC000084290362 545786140 /nfs/dbraw/zinc/78/61/40/545786140.db2.gz VNUABFSYDNOHCU-RYUDHWBXSA-N -1 0 318.398 3.434 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000221033777 546265549 /nfs/dbraw/zinc/26/55/49/546265549.db2.gz RQVXBFVMALLQRY-HUUCEWRRSA-N -1 0 319.401 3.329 50 0 DGAARM CCc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221033942 546265906 /nfs/dbraw/zinc/26/59/06/546265906.db2.gz BUFROQVSBNIRJD-GJZGRUSLSA-N -1 0 319.401 3.427 50 0 DGAARM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000668275182 547434272 /nfs/dbraw/zinc/43/42/72/547434272.db2.gz URVGPPVRICXGFN-GXTWGEPZSA-N -1 0 305.374 3.227 50 0 DGAARM O=C([O-])C1(NC(=O)CCc2csc3ccccc23)CCCC1 ZINC000170047800 563903075 /nfs/dbraw/zinc/90/30/75/563903075.db2.gz KSZPADBAQTYMLK-UHFFFAOYSA-N -1 0 317.410 3.348 50 0 DGAARM CC(C)c1nc(/C=C/c2cnn3ccccc23)ncc1C(=O)[O-] ZINC000169992389 575288207 /nfs/dbraw/zinc/28/82/07/575288207.db2.gz CAOMRHMEEZWNHM-VOTSOKGWSA-N -1 0 308.341 3.116 50 0 DGAARM COc1ccc(/C=C\c2nc(N)nc(-c3ccccc3[O-])n2)cc1 ZINC000034858468 628134446 /nfs/dbraw/zinc/13/44/46/628134446.db2.gz FULYLZURNKXGCN-FLIBITNWSA-N -1 0 320.352 3.005 50 0 DGAARM O=C([O-])c1cc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cs1 ZINC000084338617 655983607 /nfs/dbraw/zinc/98/36/07/655983607.db2.gz VHBJMTPOJGOJOI-OWOJBTEDSA-N -1 0 309.324 3.312 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000262134474 657393353 /nfs/dbraw/zinc/39/33/53/657393353.db2.gz HULHNPMYPSPCRK-INIZCTEOSA-N -1 0 323.392 3.164 50 0 DGAARM C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097045126 657590160 /nfs/dbraw/zinc/59/01/60/657590160.db2.gz VCAFGNQLNIPQIT-HVCHUGMYSA-N -1 0 319.376 3.332 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C/c2csc([N+](=O)[O-])c2)s1 ZINC000075093139 661915157 /nfs/dbraw/zinc/91/51/57/661915157.db2.gz LMGYEXZQPQBEHU-ZPUQHVIOSA-N -1 0 308.340 3.381 50 0 DGAARM Cc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](C)CC(=O)[O-])cn1 ZINC000091625329 662311881 /nfs/dbraw/zinc/31/18/81/662311881.db2.gz LTYINFXVXXVSDG-LBPRGKRZSA-N -1 0 322.368 3.351 50 0 DGAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2cccs2)cc1F ZINC001506399305 1186222036 /nfs/dbraw/zinc/22/20/36/1186222036.db2.gz MAQUHROBYLCGHO-CQSZACIVSA-N -1 0 309.362 3.154 50 0 DGAARM C[C@@]1(CNc2noc(-c3ccccc3)c2C(=O)[O-])CCCO1 ZINC001704325898 1202521029 /nfs/dbraw/zinc/52/10/29/1202521029.db2.gz WPDCZGXCWDVOHN-INIZCTEOSA-N -1 0 302.330 3.021 50 0 DGAARM Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)o1 ZINC000328587779 231232942 /nfs/dbraw/zinc/23/29/42/231232942.db2.gz HWQCTDBLQATXKJ-UHFFFAOYSA-N -1 0 313.353 3.306 50 0 DGAARM CC(=O)c1csc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000095424976 185361345 /nfs/dbraw/zinc/36/13/45/185361345.db2.gz FHEZRAFYUYKHDO-UHFFFAOYSA-N -1 0 303.339 3.210 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097001624 185396245 /nfs/dbraw/zinc/39/62/45/185396245.db2.gz RHUXXYLDEYMSCC-MRXNPFEDSA-N -1 0 308.337 3.114 50 0 DGAARM C[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000097017802 185397818 /nfs/dbraw/zinc/39/78/18/185397818.db2.gz GMOLPCGKOSLSMU-LBPRGKRZSA-N -1 0 317.410 3.299 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccc(C)c(C)c1 ZINC000064983778 432010049 /nfs/dbraw/zinc/01/00/49/432010049.db2.gz QFJHDOHGZRIEEG-UHFFFAOYSA-N -1 0 314.385 3.313 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cccc(C)c1 ZINC000064983799 190706812 /nfs/dbraw/zinc/70/68/12/190706812.db2.gz WVTJAYOXRIQRTJ-UHFFFAOYSA-N -1 0 300.358 3.004 50 0 DGAARM CC(C)(C)c1nnc([N-]S(=O)(=O)/C=C/c2ccccc2)s1 ZINC000083956285 192392775 /nfs/dbraw/zinc/39/27/75/192392775.db2.gz MWDWNDRVNOTZRD-MDZDMXLPSA-N -1 0 323.443 3.248 50 0 DGAARM Cc1ccc(-c2nnc(SCC(=O)[O-])n2CC(C)C)cc1 ZINC000072328110 191123680 /nfs/dbraw/zinc/12/36/80/191123680.db2.gz WZTRQIOGVUKDIU-UHFFFAOYSA-N -1 0 305.403 3.086 50 0 DGAARM CCOC(=O)c1c[n-]c2c(-c3ccccc3)nsc2c1=O ZINC000067172562 432027741 /nfs/dbraw/zinc/02/77/41/432027741.db2.gz PVCSULUKATUQCJ-UHFFFAOYSA-N -1 0 300.339 3.241 50 0 DGAARM CC1(C)C[C@@H](c2nccn2Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000072458990 191173488 /nfs/dbraw/zinc/17/34/88/191173488.db2.gz DSEMIBWGNVRZBP-HNNXBMFYSA-N -1 0 314.385 3.302 50 0 DGAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000000203014 180724346 /nfs/dbraw/zinc/72/43/46/180724346.db2.gz FWIQVBCMXHWGTN-CYBMUJFWSA-N -1 0 301.317 3.098 50 0 DGAARM O=C([O-])c1ccc(Nc2nc(-c3cccnc3)cs2)cc1O ZINC000000613244 180828794 /nfs/dbraw/zinc/82/87/94/180828794.db2.gz NMDJFPIXSKAWRM-UHFFFAOYSA-N -1 0 313.338 3.353 50 0 DGAARM CCCOc1c(Br)cc(C(=O)[O-])cc1OCC ZINC000002140787 180912356 /nfs/dbraw/zinc/91/23/56/180912356.db2.gz KRDVGXLPEZGQSG-UHFFFAOYSA-N -1 0 303.152 3.335 50 0 DGAARM COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)[O-])c1 ZINC000003394054 181014786 /nfs/dbraw/zinc/01/47/86/181014786.db2.gz XXPRPKAYBHGUQB-UHFFFAOYSA-N -1 0 324.336 3.255 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)NCC1CCCCC1 ZINC000003441783 181020343 /nfs/dbraw/zinc/02/03/43/181020343.db2.gz KDNJMNUPXYQVBQ-UHFFFAOYSA-N -1 0 307.415 3.173 50 0 DGAARM Cc1nc2ccccn2c1-c1csc([N-]c2ncccn2)n1 ZINC000004094795 181072440 /nfs/dbraw/zinc/07/24/40/181072440.db2.gz VHQIQFJBEXJFTR-UHFFFAOYSA-N -1 0 308.370 3.300 50 0 DGAARM COc1ccc(-c2csc([N-]c3ncccn3)n2)cc1OC ZINC000004194992 181084103 /nfs/dbraw/zinc/08/41/03/181084103.db2.gz FKYXPMDOTWVKSU-UHFFFAOYSA-N -1 0 314.370 3.361 50 0 DGAARM O=C([O-])[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000004593154 181128150 /nfs/dbraw/zinc/12/81/50/181128150.db2.gz MFRRYUANCCWHLC-AWEZNQCLSA-N -1 0 303.745 3.478 50 0 DGAARM COc1ccc(Cl)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004652035 181132111 /nfs/dbraw/zinc/13/21/11/181132111.db2.gz YTFBBZBPPGLVCE-WDEREUQCSA-N -1 0 311.765 3.178 50 0 DGAARM CCOc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000004903659 181170923 /nfs/dbraw/zinc/17/09/23/181170923.db2.gz HSLAJWAACNATSJ-HZPDHXFCSA-N -1 0 317.385 3.471 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000004970474 181181554 /nfs/dbraw/zinc/18/15/54/181181554.db2.gz IZVLFHNWKYZVPY-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM CC(C)(C)OC(=O)N/C(=C\c1c[nH]c2ccccc12)C(=O)[O-] ZINC000005045511 181196206 /nfs/dbraw/zinc/19/62/06/181196206.db2.gz CNXVARGTLHOFML-JYRVWZFOSA-N -1 0 302.330 3.118 50 0 DGAARM Cc1c(NC(=O)COc2ccccc2Cl)cccc1C(=O)[O-] ZINC000005059922 181198290 /nfs/dbraw/zinc/19/82/90/181198290.db2.gz VHOJVJAEUUAAJE-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM CCc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000005154390 181211181 /nfs/dbraw/zinc/21/11/81/181211181.db2.gz RXHPMWOANPQPLO-UHFFFAOYSA-N -1 0 324.359 3.201 50 0 DGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OCC)cc1 ZINC000005214485 181217495 /nfs/dbraw/zinc/21/74/95/181217495.db2.gz OIQDKEMVSVFJBP-UHFFFAOYSA-N -1 0 321.398 3.285 50 0 DGAARM COc1ccc(S([O-])=CC(=O)c2cc(C)c(O)c(C)c2)cc1 ZINC000005361912 181234272 /nfs/dbraw/zinc/23/42/72/181234272.db2.gz TTWDMULBPJCMCA-QFIPXVFZSA-N -1 0 318.394 3.008 50 0 DGAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1 ZINC000005687203 181273174 /nfs/dbraw/zinc/27/31/74/181273174.db2.gz KQGZEMVGRJLIGG-UHFFFAOYSA-N -1 0 308.337 3.103 50 0 DGAARM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000236986418 202108372 /nfs/dbraw/zinc/10/83/72/202108372.db2.gz QAPWGYZHVVZDJO-CQSZACIVSA-N -1 0 313.353 3.056 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000226750188 304073688 /nfs/dbraw/zinc/07/36/88/304073688.db2.gz IUZSDAQNWBTRBT-GOSISDBHSA-N -1 0 323.392 3.220 50 0 DGAARM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1F ZINC000237405301 202255864 /nfs/dbraw/zinc/25/58/64/202255864.db2.gz MHPAFERZBDXATF-QWHCGFSZSA-N -1 0 307.365 3.175 50 0 DGAARM C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(F)c1 ZINC000237526090 202272072 /nfs/dbraw/zinc/27/20/72/202272072.db2.gz HISWXNYNUYAARO-KGLIPLIRSA-N -1 0 321.392 3.423 50 0 DGAARM Cc1cc(CCCC(=O)N2CCC(C(=O)[O-])CC2)c(C)s1 ZINC000237604091 202300327 /nfs/dbraw/zinc/30/03/27/202300327.db2.gz NJCAWGBOGYNQNU-UHFFFAOYSA-N -1 0 309.431 3.011 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC1CCSCC1 ZINC000237644579 202315537 /nfs/dbraw/zinc/31/55/37/202315537.db2.gz WULOYMQQTHKBQM-HNNXBMFYSA-N -1 0 321.442 3.160 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000237969305 202407987 /nfs/dbraw/zinc/40/79/87/202407987.db2.gz IOASREQSQDSTHN-LBPRGKRZSA-N -1 0 301.342 3.150 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Br ZINC000005679762 304099896 /nfs/dbraw/zinc/09/98/96/304099896.db2.gz VAEQUGGDYIQASA-VHSXEESVSA-N -1 0 324.174 3.055 50 0 DGAARM O=C([O-])[C@@H]1CCCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000041058321 304101828 /nfs/dbraw/zinc/10/18/28/304101828.db2.gz PGVISGUYTCNPQB-URZJAHPPSA-N -1 0 305.418 3.059 50 0 DGAARM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 ZINC000006317093 181329291 /nfs/dbraw/zinc/32/92/91/181329291.db2.gz KJGWZNWRQGHJEQ-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM O=C(Nc1c(=O)oc2ccccc2c1[O-])c1ccccc1Cl ZINC000006825788 181395801 /nfs/dbraw/zinc/39/58/01/181395801.db2.gz NPSAUVHNXANVJP-UHFFFAOYSA-N -1 0 315.712 3.404 50 0 DGAARM Cc1scc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1C ZINC000262939180 203417694 /nfs/dbraw/zinc/41/76/94/203417694.db2.gz CCGXGCDCIGOBCM-UHFFFAOYSA-N -1 0 303.383 3.092 50 0 DGAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCCCO1 ZINC000263238361 203447582 /nfs/dbraw/zinc/44/75/82/203447582.db2.gz DJHSNQLTTUZORU-CYBMUJFWSA-N -1 0 321.373 3.070 50 0 DGAARM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ncc(C)s1 ZINC000095969754 193466068 /nfs/dbraw/zinc/46/60/68/193466068.db2.gz SXBSICIWOWEIGJ-MRVPVSSYSA-N -1 0 310.400 3.092 50 0 DGAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000095989641 193481103 /nfs/dbraw/zinc/48/11/03/193481103.db2.gz IXSFNFXRUSIUOY-HIFRSBDPSA-N -1 0 319.426 3.397 50 0 DGAARM CC[C@](C)(NC(=O)c1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000096479832 193663009 /nfs/dbraw/zinc/66/30/09/193663009.db2.gz KYZLIMFOZZOWQV-AWEZNQCLSA-N -1 0 324.427 3.266 50 0 DGAARM O=C([O-])c1cccc(NC(=O)c2ncoc2-c2cccs2)c1 ZINC000096480340 193663933 /nfs/dbraw/zinc/66/39/33/193663933.db2.gz OGPWNJOEOKLDFN-UHFFFAOYSA-N -1 0 314.322 3.354 50 0 DGAARM O=C([O-])/C=C/c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000012992833 181819142 /nfs/dbraw/zinc/81/91/42/181819142.db2.gz QNDGQLMPQIQRAE-YRNVUSSQSA-N -1 0 321.376 3.454 50 0 DGAARM CC(=O)c1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013466744 181852704 /nfs/dbraw/zinc/85/27/04/181852704.db2.gz DUMCEFDHSLERHS-HNNXBMFYSA-N -1 0 311.337 3.086 50 0 DGAARM CCn1c(C)cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1C ZINC000097212280 193691756 /nfs/dbraw/zinc/69/17/56/193691756.db2.gz HIFZQVFEBVGDQN-MRXNPFEDSA-N -1 0 314.385 3.071 50 0 DGAARM CC(=O)c1c([O-])cc(C)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000016769440 182060072 /nfs/dbraw/zinc/06/00/72/182060072.db2.gz LIXCIZBAVMYPJU-UHFFFAOYSA-N -1 0 312.152 3.361 50 0 DGAARM COCCCn1c(=O)c2c([n-]c1=S)sc1c2CC[C@H](C)C1 ZINC000017066509 182074152 /nfs/dbraw/zinc/07/41/52/182074152.db2.gz QODWCVFQTQBVJV-VIFPVBQESA-N -1 0 324.471 3.282 50 0 DGAARM O=C([O-])c1ccc(NC(=O)CSC2CCCCC2)cc1O ZINC000018196586 182097876 /nfs/dbraw/zinc/09/78/76/182097876.db2.gz SPTOCUIHWNLYHE-UHFFFAOYSA-N -1 0 309.387 3.095 50 0 DGAARM O=C([O-])[C@H]1CS[C@H](c2ccc(Cc3ccccc3)s2)N1 ZINC000020606356 182237844 /nfs/dbraw/zinc/23/78/44/182237844.db2.gz FMYDWHZSFCIYSK-TZMCWYRMSA-N -1 0 305.424 3.127 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000022841937 182336744 /nfs/dbraw/zinc/33/67/44/182336744.db2.gz YSSIMXLONGWDNT-UHFFFAOYSA-N -1 0 309.362 3.334 50 0 DGAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1cccc(Cl)c1 ZINC000024425211 182379879 /nfs/dbraw/zinc/37/98/79/182379879.db2.gz PQOZDLWBWHSDTO-UHFFFAOYSA-N -1 0 307.762 3.017 50 0 DGAARM Cc1c2ccccc2sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037416381 182890613 /nfs/dbraw/zinc/89/06/13/182890613.db2.gz BBMYMSVHPYJZMZ-NSHDSACASA-N -1 0 303.383 3.147 50 0 DGAARM O=C([O-])c1cc(Br)cnc1OC1CCCCC1 ZINC000040447911 183068239 /nfs/dbraw/zinc/06/82/39/183068239.db2.gz LBBYYOCVBHONDD-UHFFFAOYSA-N -1 0 300.152 3.254 50 0 DGAARM CCc1cc2c(nc(CC)nc2N[C@@H](C(=O)[O-])C(C)C)s1 ZINC000041090311 183164205 /nfs/dbraw/zinc/16/42/05/183164205.db2.gz CKXAIVRFGFKLPA-GFCCVEGCSA-N -1 0 307.419 3.337 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000043583627 183373194 /nfs/dbraw/zinc/37/31/94/183373194.db2.gz QJUYPQBTGYBBAX-SNVBAGLBSA-N -1 0 313.756 3.196 50 0 DGAARM O=C([O-])c1cc(I)cc(C(F)(F)F)c1 ZINC000034616858 304225369 /nfs/dbraw/zinc/22/53/69/304225369.db2.gz WKBZOFRUGGDTEU-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM O=C([O-])c1cc2nccc(-c3ccc(Cl)cc3Cl)n2n1 ZINC000072209404 304229811 /nfs/dbraw/zinc/22/98/11/304229811.db2.gz OSDBYYLUMLCDKB-UHFFFAOYSA-N -1 0 308.124 3.401 50 0 DGAARM O=C([O-])C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1Cl ZINC000058308188 184103528 /nfs/dbraw/zinc/10/35/28/184103528.db2.gz QOMCGUDNJXXAIO-RISCZKNCSA-N -1 0 307.777 3.328 50 0 DGAARM CCCc1cc(=O)n2[n-]c(COC)c(-c3ccc(C)cc3)c2n1 ZINC000065361857 184328199 /nfs/dbraw/zinc/32/81/99/184328199.db2.gz JQQUDJOIRDGKII-UHFFFAOYSA-N -1 0 311.385 3.097 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000269179856 207300476 /nfs/dbraw/zinc/30/04/76/207300476.db2.gz KUTPMUWJVYWUHC-QGZVFWFLSA-N -1 0 323.392 3.142 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2cccnc2)s1 ZINC000097619077 304233436 /nfs/dbraw/zinc/23/34/36/304233436.db2.gz IEWVDQFIUHJUAV-GFCCVEGCSA-N -1 0 316.382 3.209 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(C)c1O ZINC000069416319 184513088 /nfs/dbraw/zinc/51/30/88/184513088.db2.gz OESQFRSEAADMKS-UHFFFAOYSA-N -1 0 313.325 3.088 50 0 DGAARM O=c1c2cccc(F)c2[n-]cc1S(=O)(=O)c1ccc(F)cc1 ZINC000015829080 285046933 /nfs/dbraw/zinc/04/69/33/285046933.db2.gz MKKVSMKEKLDIJH-UHFFFAOYSA-N -1 0 321.304 3.051 50 0 DGAARM COCCC1(Cn2c(=O)c3ccccc3[n-]c2=S)CCCC1 ZINC000155359450 197047486 /nfs/dbraw/zinc/04/74/86/197047486.db2.gz HHDJYUZCZDJDJT-UHFFFAOYSA-N -1 0 318.442 3.282 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000238134105 256600496 /nfs/dbraw/zinc/60/04/96/256600496.db2.gz UUCFFWNZLVPMGW-ZDUSSCGKSA-N -1 0 324.380 3.049 50 0 DGAARM Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)cc1C ZINC000011568022 134498064 /nfs/dbraw/zinc/49/80/64/134498064.db2.gz JMDBUWLNGIPVIZ-OAHLLOKOSA-N -1 0 311.385 3.061 50 0 DGAARM O=C([O-])c1ccc(N2CCCN(Cc3cccs3)C2=O)cc1 ZINC000034798152 134690247 /nfs/dbraw/zinc/69/02/47/134690247.db2.gz ZFJITJNRFPQCCO-UHFFFAOYSA-N -1 0 316.382 3.279 50 0 DGAARM Cc1[nH]c(C(=O)OCc2ccccc2)c(C)c1CCC(=O)[O-] ZINC000019909479 400188289 /nfs/dbraw/zinc/18/82/89/400188289.db2.gz RJEXRGIOADWRKO-UHFFFAOYSA-N -1 0 301.342 3.006 50 0 DGAARM O=C([O-])[C@@H](Cc1nnc(-c2cccs2)o1)c1ccccc1 ZINC000072307354 400381396 /nfs/dbraw/zinc/38/13/96/400381396.db2.gz OIXJMBWFEFCUAB-NSHDSACASA-N -1 0 300.339 3.209 50 0 DGAARM O=c1[nH]c2ccccc2c([O-])c1-c1nc(-c2ccccc2F)no1 ZINC000075536621 400592580 /nfs/dbraw/zinc/59/25/80/400592580.db2.gz NPZYZXJMKWVWEC-UHFFFAOYSA-N -1 0 323.283 3.090 50 0 DGAARM O=C([O-])/C=C\c1cnc(/C=C\c2cccc3c2OCO3)s1 ZINC000606443212 400913484 /nfs/dbraw/zinc/91/34/84/400913484.db2.gz LUDDOMWSOJPTEL-PEPZGXQESA-N -1 0 301.323 3.140 50 0 DGAARM O=C([O-])CCc1cc(Br)c(Br)s1 ZINC000227905967 400963390 /nfs/dbraw/zinc/96/33/90/400963390.db2.gz YQXSACKZYBGJOS-UHFFFAOYSA-N -1 0 313.998 3.290 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630218765 401220346 /nfs/dbraw/zinc/22/03/46/401220346.db2.gz SSEZMNIHPWCSJT-JJXSEGSLSA-N -1 0 319.376 3.079 50 0 DGAARM O=C([O-])c1cccc(CNc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000263408664 165862028 /nfs/dbraw/zinc/86/20/28/165862028.db2.gz KSJPVHHWOJOBSR-UHFFFAOYSA-N -1 0 324.380 3.233 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000190481441 432162195 /nfs/dbraw/zinc/16/21/95/432162195.db2.gz RFWMBDTYWANRMF-GFCCVEGCSA-N -1 0 317.316 3.023 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000299746007 229386714 /nfs/dbraw/zinc/38/67/14/229386714.db2.gz URVBTXPQICKTLP-VBNZEHGJSA-N -1 0 319.376 3.033 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000036638856 425846136 /nfs/dbraw/zinc/84/61/36/425846136.db2.gz FCXXVZNFLTYCPA-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM CC(C)(C)OC(=O)N1CCCCN1[C@H](C(=O)[O-])c1ccccc1 ZINC000012336495 278386022 /nfs/dbraw/zinc/38/60/22/278386022.db2.gz RLHAFQHEBBLIGL-AWEZNQCLSA-N -1 0 320.389 3.060 50 0 DGAARM O=C([O-])CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000000067115 431116706 /nfs/dbraw/zinc/11/67/06/431116706.db2.gz NJYXXGHUKGHRMW-UHFFFAOYSA-N -1 0 317.395 3.173 50 0 DGAARM O=c1oc2ccccc2cc1-c1csc([N-]c2ncccn2)n1 ZINC000000070762 431119606 /nfs/dbraw/zinc/11/96/06/431119606.db2.gz JAQDXAWHBVANKX-UHFFFAOYSA-N -1 0 322.349 3.450 50 0 DGAARM CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@]1(C)C(=O)[O-] ZINC000000125513 431129963 /nfs/dbraw/zinc/12/99/63/431129963.db2.gz HAUCCCPJLQSBIQ-SCLBCKFNSA-N -1 0 301.386 3.103 50 0 biogenic DGAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000000378915 431173547 /nfs/dbraw/zinc/17/35/47/431173547.db2.gz SLRSLGKYIGSYPE-UHFFFAOYSA-N -1 0 303.792 3.211 50 0 DGAARM O=c1c(Oc2cnn(-c3ccccc3)c2)coc2cc([O-])ccc12 ZINC000000390706 431175883 /nfs/dbraw/zinc/17/58/83/431175883.db2.gz XWADWNGGJGEVNY-UHFFFAOYSA-N -1 0 320.304 3.477 50 0 DGAARM COc1cc([O-])c(C(=O)c2ccccc2)cc1Br ZINC000000389187 431175901 /nfs/dbraw/zinc/17/59/01/431175901.db2.gz QUHNPDOXVFJYCS-UHFFFAOYSA-N -1 0 307.143 3.394 50 0 DGAARM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000000467087 431188928 /nfs/dbraw/zinc/18/89/28/431188928.db2.gz AVMHLNDLISTNKA-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM CC(=O)n1cc(-c2c([O-])c3ccccc3oc2=O)c2ccccc21 ZINC000000518133 431196620 /nfs/dbraw/zinc/19/66/20/431196620.db2.gz GTJORMGEUQRCAP-KRWDZBQOSA-N -1 0 319.316 3.187 50 0 biogenic DGAARM O=C([O-])c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000000286474 431160166 /nfs/dbraw/zinc/16/01/66/431160166.db2.gz RWWKKZOLPGZQEH-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000000582054 431205822 /nfs/dbraw/zinc/20/58/22/431205822.db2.gz SBJCDZBOHVXFAX-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000001227542 431215215 /nfs/dbraw/zinc/21/52/15/431215215.db2.gz WUBKINCNCAVQLY-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)[O-])c12 ZINC000002378283 431251875 /nfs/dbraw/zinc/25/18/75/431251875.db2.gz CQMKXRSRPTYYJJ-NSHDSACASA-N -1 0 304.342 3.296 50 0 DGAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccccc1F ZINC000002511973 431254913 /nfs/dbraw/zinc/25/49/13/431254913.db2.gz JXLVFSVXIZGSCT-HNNXBMFYSA-N -1 0 317.316 3.268 50 0 DGAARM COc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000002881285 431275986 /nfs/dbraw/zinc/27/59/86/431275986.db2.gz XTTQSPNRQPCSRX-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCCc1ccccc1 ZINC000003096091 431280949 /nfs/dbraw/zinc/28/09/49/431280949.db2.gz IXLNPBARHKASTP-JKSUJKDBSA-N -1 0 303.402 3.017 50 0 DGAARM CCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)[O-])N1C(C)=O ZINC000003173787 431285350 /nfs/dbraw/zinc/28/53/50/431285350.db2.gz SCCFPAMTAIFDLY-HZPDHXFCSA-N -1 0 314.385 3.257 50 0 DGAARM Cc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1C ZINC000006727077 431317349 /nfs/dbraw/zinc/31/73/49/431317349.db2.gz DHERWNVDUZZBCP-GMEATFMZSA-N -1 0 301.386 3.379 50 0 DGAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002738284 431266894 /nfs/dbraw/zinc/26/68/94/431266894.db2.gz WFJZDTGTNLROSX-UHFFFAOYSA-N -1 0 308.334 3.061 50 0 DGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000071288158 431275768 /nfs/dbraw/zinc/27/57/68/431275768.db2.gz UHLOOCBRNCBVDR-ZJUUUORDSA-N -1 0 322.411 3.167 50 0 DGAARM Cc1ccc(F)cc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006727126 431318212 /nfs/dbraw/zinc/31/82/12/431318212.db2.gz ONRIVDCJWZRPMT-HBGGEXNNSA-N -1 0 305.349 3.210 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@H](C(=O)[O-])C1 ZINC000006729254 431318307 /nfs/dbraw/zinc/31/83/07/431318307.db2.gz QISUJZHVTYTBON-NWDGAFQWSA-N -1 0 308.765 3.121 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007053025 431330385 /nfs/dbraw/zinc/33/03/85/431330385.db2.gz FBRDAAQIOSDSTP-UHFFFAOYSA-N -1 0 317.410 3.375 50 0 DGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007402525 431347981 /nfs/dbraw/zinc/34/79/81/431347981.db2.gz JWKVOGBEHUKCHA-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM CC[C@H](C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)[O-] ZINC000008274364 431389307 /nfs/dbraw/zinc/38/93/07/431389307.db2.gz DGFYSPFQNRFWPU-HZMBPMFUSA-N -1 0 309.431 3.246 50 0 DGAARM CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000008714738 431408936 /nfs/dbraw/zinc/40/89/36/431408936.db2.gz YINDLDRWGYTKDQ-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000012767529 431524291 /nfs/dbraw/zinc/52/42/91/431524291.db2.gz DVJFMQJNMPVCAA-KBPBESRZSA-N -1 0 311.337 3.151 50 0 DGAARM COc1ccc(Br)cc1-c1nc(C(=O)[O-])cs1 ZINC000011962344 431488761 /nfs/dbraw/zinc/48/87/61/431488761.db2.gz XHYRHIOGODKQLC-UHFFFAOYSA-N -1 0 314.160 3.279 50 0 DGAARM O=C([O-])c1cccc(CN2C(=S)N=NC2c2cccs2)c1 ZINC000012389048 431505908 /nfs/dbraw/zinc/50/59/08/431505908.db2.gz KMDWCHYHWDINQC-UHFFFAOYSA-N -1 0 317.395 3.042 50 0 DGAARM Cc1ccccc1CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000012463051 431510045 /nfs/dbraw/zinc/51/00/45/431510045.db2.gz JMFGGDHRZTZDEP-UHFFFAOYSA-N -1 0 304.396 3.291 50 0 DGAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1 ZINC000012970121 431539261 /nfs/dbraw/zinc/53/92/61/431539261.db2.gz XQRSXNVBOLGUNI-CQSZACIVSA-N -1 0 304.353 3.144 50 0 DGAARM Cc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)s1 ZINC000013181484 431548599 /nfs/dbraw/zinc/54/85/99/431548599.db2.gz RFFUWKQMHBCXBF-CYBMUJFWSA-N -1 0 318.398 3.014 50 0 DGAARM COc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013249841 431552183 /nfs/dbraw/zinc/55/21/83/431552183.db2.gz UAHUJZSCFOBMSN-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)[O-] ZINC000013349180 431553676 /nfs/dbraw/zinc/55/36/76/431553676.db2.gz DIYURQOROAGVTE-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000028794330 431711865 /nfs/dbraw/zinc/71/18/65/431711865.db2.gz JAGAXEUGKURVGE-UHFFFAOYSA-N -1 0 305.252 3.044 50 0 DGAARM CC1CCC2(CC1)CC(=O)c1ccc(OCC(=O)[O-])cc1O2 ZINC000030819580 431747150 /nfs/dbraw/zinc/74/71/50/431747150.db2.gz SEMZCXYHIDQALP-UHFFFAOYSA-N -1 0 304.342 3.064 50 0 DGAARM CC(C)n1c(Br)c(Br)cc1C(=O)[O-] ZINC000068590795 280749283 /nfs/dbraw/zinc/74/92/83/280749283.db2.gz HPEQRVOOMHWKPK-UHFFFAOYSA-N -1 0 310.973 3.292 50 0 DGAARM O=C([O-])C1(NC(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000037329810 431846132 /nfs/dbraw/zinc/84/61/32/431846132.db2.gz IEQLBSAYMLMALP-UHFFFAOYSA-N -1 0 302.157 3.121 50 0 DGAARM CS[C@H]1CCC[C@@H]1N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000089334852 431863228 /nfs/dbraw/zinc/86/32/28/431863228.db2.gz MJDKENQONKKWCS-JQWIXIFHSA-N -1 0 301.358 3.027 50 0 DGAARM COc1ccc2oc(C)c(C(=O)NCCCCCC(=O)[O-])c2c1 ZINC000089534369 431869773 /nfs/dbraw/zinc/86/97/73/431869773.db2.gz YUYPFPNYFMTJHP-UHFFFAOYSA-N -1 0 319.357 3.125 50 0 DGAARM C[C@H](c1ccccc1)[C@H](CC(=O)NC1CCCCC1)C(=O)[O-] ZINC000035142230 431826880 /nfs/dbraw/zinc/82/68/80/431826880.db2.gz KBHOYRFPYOFLLH-CJNGLKHVSA-N -1 0 303.402 3.330 50 0 DGAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000095349107 431921874 /nfs/dbraw/zinc/92/18/74/431921874.db2.gz KEFCEANIJWYZLV-UHFFFAOYSA-N -1 0 315.753 3.294 50 0 DGAARM CCCSCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357458 431922678 /nfs/dbraw/zinc/92/26/78/431922678.db2.gz RKJQINYOAHSGLG-OAHLLOKOSA-N -1 0 321.442 3.234 50 0 DGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCC3CC3)C2)cc1 ZINC000095364595 431922797 /nfs/dbraw/zinc/92/27/97/431922797.db2.gz PLCPBQOTEWWALS-INIZCTEOSA-N -1 0 301.386 3.281 50 0 DGAARM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000044917304 431879689 /nfs/dbraw/zinc/87/96/89/431879689.db2.gz YSRNKYYUPIHNTH-NXEZZACHSA-N -1 0 317.414 3.116 50 0 DGAARM CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCC2 ZINC000045951704 431891683 /nfs/dbraw/zinc/89/16/83/431891683.db2.gz DTBGOZKZFYLPFY-HNNXBMFYSA-N -1 0 301.386 3.279 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000045922946 431891781 /nfs/dbraw/zinc/89/17/81/431891781.db2.gz MCJOJEWCHGIGNR-IRXDYDNUSA-N -1 0 307.349 3.214 50 0 DGAARM CC(=O)Nc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc1 ZINC000098056261 431977141 /nfs/dbraw/zinc/97/71/41/431977141.db2.gz RLKSUZUARWHMES-ZSITZFGTSA-N -1 0 314.366 3.370 50 0 DGAARM O=C([O-])c1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1 ZINC000095969748 431929898 /nfs/dbraw/zinc/92/98/98/431929898.db2.gz DJWAPGVRVBRXFU-UHFFFAOYSA-N -1 0 316.382 3.041 50 0 DGAARM Cc1ccc(NC(=O)c2coc(Br)c2)cc1C(=O)[O-] ZINC000095970805 431930137 /nfs/dbraw/zinc/93/01/37/431930137.db2.gz XXWLSHOLUWXVQA-UHFFFAOYSA-N -1 0 324.130 3.301 50 0 DGAARM Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1F ZINC000095989567 431932462 /nfs/dbraw/zinc/93/24/62/431932462.db2.gz PPWMTHCOFFCWGH-UHFFFAOYSA-N -1 0 309.243 3.363 50 0 DGAARM CCc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)o1 ZINC000095989327 431932703 /nfs/dbraw/zinc/93/27/03/431932703.db2.gz JSTDHVPBOWQONJ-AWEZNQCLSA-N -1 0 319.332 3.235 50 0 DGAARM COc1ccc(-c2cc(=O)n(-c3ccc(F)cc3)[n-]2)cc1OC ZINC000100072280 431980240 /nfs/dbraw/zinc/98/02/40/431980240.db2.gz KUQQPRHHWORDCW-UHFFFAOYSA-N -1 0 314.316 3.401 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000097036741 431957280 /nfs/dbraw/zinc/95/72/80/431957280.db2.gz QJRKHNDGXABWSW-OAHLLOKOSA-N -1 0 313.353 3.274 50 0 DGAARM O=C([O-])c1ccc(F)c(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000097036191 431957395 /nfs/dbraw/zinc/95/73/95/431957395.db2.gz SEUAWBTVURBUHF-UHFFFAOYSA-N -1 0 317.291 3.333 50 0 DGAARM Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])co2)s1 ZINC000097115266 431962302 /nfs/dbraw/zinc/96/23/02/431962302.db2.gz GRSNIPFJZIDVGV-LLVKDONJSA-N -1 0 305.355 3.325 50 0 DGAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccccc1Br ZINC000100548253 431981980 /nfs/dbraw/zinc/98/19/80/431981980.db2.gz IYYJQOCXUSLVAT-UHFFFAOYSA-N -1 0 307.069 3.104 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)o1 ZINC000253433564 432397877 /nfs/dbraw/zinc/39/78/77/432397877.db2.gz YLPCBVIOBMRWIX-MYSGNRETSA-N -1 0 311.337 3.296 50 0 DGAARM COc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000254448130 432403669 /nfs/dbraw/zinc/40/36/69/432403669.db2.gz LPFRHIDNSDKBJM-UHFFFAOYSA-N -1 0 304.733 3.493 50 0 DGAARM CC(C)c1ncc(C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000262792999 432502554 /nfs/dbraw/zinc/50/25/54/432502554.db2.gz NJGSLAHPTUGRLW-UHFFFAOYSA-N -1 0 304.371 3.146 50 0 DGAARM C[C@H]1C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000262795775 432503017 /nfs/dbraw/zinc/50/30/17/432503017.db2.gz QPWICQWYMLSZEW-VHSXEESVSA-N -1 0 319.382 3.353 50 0 DGAARM Cc1scc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000263515720 432551538 /nfs/dbraw/zinc/55/15/38/432551538.db2.gz DPKYWGGEDHKNNL-ZDUSSCGKSA-N -1 0 321.373 3.102 50 0 DGAARM CC(C)c1ncc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000263014930 432514485 /nfs/dbraw/zinc/51/44/85/432514485.db2.gz XHIVRVSUNXXBDW-UHFFFAOYSA-N -1 0 304.371 3.146 50 0 DGAARM COCc1cc(NC(=O)CC2=CCCCC2)cc(C(=O)[O-])c1 ZINC000263141015 432522879 /nfs/dbraw/zinc/52/28/79/432522879.db2.gz VJLXAVDSIOTSAM-UHFFFAOYSA-N -1 0 303.358 3.360 50 0 DGAARM O=C([O-])c1cc2cc(NC(=O)CC[C@H]3CCOC3)ccc2s1 ZINC000263145846 432522929 /nfs/dbraw/zinc/52/29/29/432522929.db2.gz NCMWGAIHJOQQHK-JTQLQIEISA-N -1 0 319.382 3.355 50 0 DGAARM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])s2)o1 ZINC000263307776 432532414 /nfs/dbraw/zinc/53/24/14/432532414.db2.gz OSFTUIADHGNIKS-SNVBAGLBSA-N -1 0 305.355 3.006 50 0 DGAARM C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000222176901 432671217 /nfs/dbraw/zinc/67/12/17/432671217.db2.gz VCAFGNQLNIPQIT-HFBDAHEESA-N -1 0 319.376 3.332 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000237995741 432807833 /nfs/dbraw/zinc/80/78/33/432807833.db2.gz NFKROSTVWWYULL-CQSZACIVSA-N -1 0 300.358 3.027 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000238018802 432809810 /nfs/dbraw/zinc/80/98/10/432809810.db2.gz IOASREQSQDSTHN-GFCCVEGCSA-N -1 0 301.342 3.150 50 0 DGAARM COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(C)cc3=O)cc1 ZINC000000119739 295045278 /nfs/dbraw/zinc/04/52/78/295045278.db2.gz KZOLXFDILVOMOI-UHFFFAOYSA-N -1 0 323.274 3.025 50 0 DGAARM COc1cccc2c1OCc1sc3[n-]c(=S)[nH]c(=O)c3c1-2 ZINC000006459039 295340905 /nfs/dbraw/zinc/34/09/05/295340905.db2.gz IAXQWKXEIJVCSU-UHFFFAOYSA-N -1 0 318.379 3.215 50 0 DGAARM CC(C)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000583651796 435244564 /nfs/dbraw/zinc/24/45/64/435244564.db2.gz SJKOHWBPINYINX-UHFFFAOYSA-N -1 0 312.369 3.482 50 0 DGAARM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000642066383 435857241 /nfs/dbraw/zinc/85/72/41/435857241.db2.gz KIHJABPWHFOJDW-INIZCTEOSA-N -1 0 312.369 3.393 50 0 DGAARM O=C([O-])C/C(=C\c1cn(C2CCC2)nn1)c1nc2ccccc2o1 ZINC000656612498 435983806 /nfs/dbraw/zinc/98/38/06/435983806.db2.gz BNLXZPXSZPLXBZ-DHZHZOJOSA-N -1 0 324.340 3.160 50 0 DGAARM Cc1cc(C)nc(-n2[n-]c(-c3ccc4ccccc4c3)cc2=O)n1 ZINC000017057667 301260587 /nfs/dbraw/zinc/26/05/87/301260587.db2.gz HPMVGUYRSMUENE-UHFFFAOYSA-N -1 0 316.364 3.393 50 0 DGAARM Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H](C)O2 ZINC000011945325 301890061 /nfs/dbraw/zinc/89/00/61/301890061.db2.gz WDOCBOJSOIZCNY-LBPRGKRZSA-N -1 0 311.337 3.007 50 0 DGAARM Cc1ccccc1-n1c([O-])cc(=O)n(-c2ccccc2C)c1=S ZINC000000446306 302104031 /nfs/dbraw/zinc/10/40/31/302104031.db2.gz SNXATZBJSAEVEW-UHFFFAOYSA-N -1 0 324.405 3.358 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000237545047 302167916 /nfs/dbraw/zinc/16/79/16/302167916.db2.gz BSVYFFMPSGZZJT-QWHCGFSZSA-N -1 0 313.353 3.304 50 0 DGAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005730185 302872698 /nfs/dbraw/zinc/87/26/98/302872698.db2.gz SHLNEMDFBUCZMY-UHFFFAOYSA-N -1 0 310.305 3.245 50 0 biogenic DGAARM CC[C@@H](C)n1ncc2c1nc(/C=C/c1cocn1)cc2C(=O)[O-] ZINC000568518957 315517484 /nfs/dbraw/zinc/51/74/84/315517484.db2.gz VHERXNJOKIROLD-ORAHPGNNSA-N -1 0 312.329 3.259 50 0 DGAARM O=C([O-])[C@@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000097228606 323210515 /nfs/dbraw/zinc/21/05/15/323210515.db2.gz CUGCBAHCZBBMFC-CYBMUJFWSA-N -1 0 317.772 3.013 50 0 DGAARM Cc1ccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)s1 ZINC000097235331 323210624 /nfs/dbraw/zinc/21/06/24/323210624.db2.gz XYVMZJWDHLETTE-QMMMGPOBSA-N -1 0 310.400 3.011 50 0 DGAARM O=S(=O)([N-]c1cc(F)ccc1O)c1cc2ccccc2o1 ZINC000097227860 323210632 /nfs/dbraw/zinc/21/06/32/323210632.db2.gz AWCQJFZVFDYZNI-UHFFFAOYSA-N -1 0 307.302 3.078 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cnc2ccsc2c1 ZINC000581703630 324146887 /nfs/dbraw/zinc/14/68/87/324146887.db2.gz ZZEQXELMNIQNGX-LBPRGKRZSA-N -1 0 318.398 3.156 50 0 DGAARM CCc1cc2c(nc(CC)nc2N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000041090132 536158440 /nfs/dbraw/zinc/15/84/40/536158440.db2.gz UOLNKPOLAGBUJT-JTQLQIEISA-N -1 0 319.430 3.117 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1C ZINC000239159586 546294175 /nfs/dbraw/zinc/29/41/75/546294175.db2.gz MJSKIYANFCWTMW-NUEKZKHPSA-N -1 0 301.386 3.148 50 0 DGAARM CC(C)c1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)on1 ZINC000262384902 546340581 /nfs/dbraw/zinc/34/05/81/546340581.db2.gz LESIVMNFGMXBQT-UHFFFAOYSA-N -1 0 302.330 3.068 50 0 DGAARM CCc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000322389116 546473662 /nfs/dbraw/zinc/47/36/62/546473662.db2.gz PQIOTILTSPIAIO-MRXNPFEDSA-N -1 0 309.365 3.468 50 0 DGAARM C[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000263552960 658282904 /nfs/dbraw/zinc/28/29/04/658282904.db2.gz MGHRNMMHZFNMRD-GDBMZVCRSA-N -1 0 303.402 3.111 50 0 DGAARM Cc1ccccc1C[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 ZINC000071422435 685058195 /nfs/dbraw/zinc/05/81/95/685058195.db2.gz PUWABSGRWIICDI-IBGZPJMESA-N -1 0 315.413 3.031 50 0 DGAARM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(O)cc(C(=O)[O-])c2)CC1 ZINC001506398930 1186222141 /nfs/dbraw/zinc/22/21/41/1186222141.db2.gz HVEJJLVPTJYHRI-CQSZACIVSA-N -1 0 319.401 3.379 50 0 DGAARM C[C@]1(CNc2noc(-c3ccccc3)c2C(=O)[O-])CCCO1 ZINC001704325899 1202521203 /nfs/dbraw/zinc/52/12/03/1202521203.db2.gz WPDCZGXCWDVOHN-MRXNPFEDSA-N -1 0 302.330 3.021 50 0 DGAARM CSc1ccccc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006742587 295684496 /nfs/dbraw/zinc/68/44/96/295684496.db2.gz LKLDANCDBVFSSK-HBGGEXNNSA-N -1 0 319.426 3.484 50 0 DGAARM CC(C)[C@@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1 ZINC000090635812 185307830 /nfs/dbraw/zinc/30/78/30/185307830.db2.gz ROKHTTSAFVQJAT-QGZVFWFLSA-N -1 0 305.374 3.146 50 0 DGAARM Cc1ccc(SCCCN(C)c2ncncc2C(=O)[O-])cc1 ZINC000095388946 185351308 /nfs/dbraw/zinc/35/13/08/185351308.db2.gz COLCDRKJWDFIBZ-UHFFFAOYSA-N -1 0 317.414 3.102 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)on1 ZINC000095424062 185361479 /nfs/dbraw/zinc/36/14/79/185361479.db2.gz BUUDLNQXGTXPFW-FZMZJTMJSA-N -1 0 316.357 3.134 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000097018929 185398024 /nfs/dbraw/zinc/39/80/24/185398024.db2.gz CTRWWZBUBXRUNB-UHFFFAOYSA-N -1 0 303.383 3.337 50 0 DGAARM O=C([O-])[C@H](NC(=O)c1coc2ccccc12)c1ccccc1F ZINC000097036445 185401000 /nfs/dbraw/zinc/40/10/00/185401000.db2.gz CGDAWXDEQKFKRL-OAHLLOKOSA-N -1 0 313.284 3.128 50 0 DGAARM CC(C)C(=O)Nc1ccc(N2CCC(C)CC2)cc1C(=O)[O-] ZINC000064588874 432009132 /nfs/dbraw/zinc/00/91/32/432009132.db2.gz RZYLJKQOUNIJIE-UHFFFAOYSA-N -1 0 304.390 3.216 50 0 DGAARM CCc1cccc(NC(=O)Cc2c(C(=O)[O-])c(C)cn2CC)c1 ZINC000064980713 190706242 /nfs/dbraw/zinc/70/62/42/190706242.db2.gz CBFVTQAWGMBKKW-UHFFFAOYSA-N -1 0 314.385 3.258 50 0 DGAARM O=C([O-])c1cccc(Nc2ccnc(Nc3cccc(O)c3)n2)c1 ZINC000170621809 197794032 /nfs/dbraw/zinc/79/40/32/197794032.db2.gz BVAMYKTYXWNRAX-UHFFFAOYSA-N -1 0 322.324 3.368 50 0 DGAARM Cc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)on1 ZINC000066413192 432016080 /nfs/dbraw/zinc/01/60/80/432016080.db2.gz UAMPYNLJBDXRII-UHFFFAOYSA-N -1 0 306.372 3.124 50 0 DGAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1C=CCC1 ZINC000236624832 201939866 /nfs/dbraw/zinc/93/98/66/201939866.db2.gz LTKIFDFUIHQWKY-GFCCVEGCSA-N -1 0 303.358 3.467 50 0 DGAARM CC(C)(C)OC(=O)n1cc([O-])c2ccc(Br)cc21 ZINC000080443783 192156962 /nfs/dbraw/zinc/15/69/62/192156962.db2.gz FDIAJSNCFFXYOX-UHFFFAOYSA-N -1 0 312.163 3.387 50 0 DGAARM CCOc1ccc(-c2ccnc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000071767757 191029365 /nfs/dbraw/zinc/02/93/65/191029365.db2.gz KGIGUQOKZPRTJP-UHFFFAOYSA-N -1 0 321.336 3.303 50 0 DGAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000072414383 191156022 /nfs/dbraw/zinc/15/60/22/191156022.db2.gz ZEJGPWHBCRJRQP-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM O=C([O-])c1c(NC(=O)c2ccccc2F)sc2c1CCC2 ZINC000000191609 180720773 /nfs/dbraw/zinc/72/07/73/180720773.db2.gz YTCLNFRWWDXEMR-UHFFFAOYSA-N -1 0 305.330 3.326 50 0 DGAARM CCCc1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000000319666 180759081 /nfs/dbraw/zinc/75/90/81/180759081.db2.gz VFIYVVZATALLAU-UHFFFAOYSA-N -1 0 308.337 3.376 50 0 DGAARM COc1cc(NC(=O)Nc2ccccc2)c(C(=O)[O-])cc1OC ZINC000000441407 180791745 /nfs/dbraw/zinc/79/17/45/180791745.db2.gz RXKADNGKBUOGSH-UHFFFAOYSA-N -1 0 316.313 3.046 50 0 DGAARM O=C([O-])c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000574200 180825189 /nfs/dbraw/zinc/82/51/89/180825189.db2.gz NIOMFYFRNRJACO-UHFFFAOYSA-N -1 0 313.338 3.122 50 0 DGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000000583246 180826715 /nfs/dbraw/zinc/82/67/15/180826715.db2.gz HCRGIDXNNRSBGJ-UHFFFAOYSA-N -1 0 319.382 3.007 50 0 DGAARM O=S(=O)([O-])c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 ZINC000002027606 180906600 /nfs/dbraw/zinc/90/66/00/180906600.db2.gz SUPVWUBEQKBRJF-UHFFFAOYSA-N -1 0 318.276 3.091 50 0 DGAARM CCCCC(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000003001036 180975806 /nfs/dbraw/zinc/97/58/06/180975806.db2.gz PAICRUNGNHHFRS-UHFFFAOYSA-N -1 0 314.794 3.041 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1F)c1c(F)cccc1F ZINC000003532649 181030243 /nfs/dbraw/zinc/03/02/43/181030243.db2.gz WEBSYKDDTADLKJ-UHFFFAOYSA-N -1 0 305.252 3.044 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000003855818 181049825 /nfs/dbraw/zinc/04/98/25/181049825.db2.gz KZKNDXVURYTFOG-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CC(C)=CCOc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000004045959 181066894 /nfs/dbraw/zinc/06/68/94/181066894.db2.gz RYTMCPUAVMNKLA-UHFFFAOYSA-N -1 0 316.353 3.382 50 0 biogenic DGAARM Cc1ccc(C(=O)c2ccccc2NC(=O)CCC(=O)[O-])cc1 ZINC000004077153 181070378 /nfs/dbraw/zinc/07/03/78/181070378.db2.gz UIKPTWXHFUCVPV-UHFFFAOYSA-N -1 0 311.337 3.029 50 0 DGAARM O=C([O-])c1cc(Nc2nc(-c3ccncc3)cs2)ccc1O ZINC000004178464 181082642 /nfs/dbraw/zinc/08/26/42/181082642.db2.gz JJYZDWJFYATCPK-UHFFFAOYSA-N -1 0 313.338 3.353 50 0 DGAARM CC(=O)N(c1nc(/C=C/C(=O)[O-])cs1)c1ccccc1F ZINC000004200342 181084817 /nfs/dbraw/zinc/08/48/17/181084817.db2.gz FHDDGPTUSASJCA-VOTSOKGWSA-N -1 0 306.318 3.065 50 0 DGAARM Cc1ccccc1CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004329620 181098496 /nfs/dbraw/zinc/09/84/96/181098496.db2.gz VVENGPWFESGMQV-UHFFFAOYSA-N -1 0 318.423 3.399 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000004371748 181103147 /nfs/dbraw/zinc/10/31/47/181103147.db2.gz IOSAGMYFYVFBKO-UHFFFAOYSA-N -1 0 306.387 3.014 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000004653995 181132867 /nfs/dbraw/zinc/13/28/67/181132867.db2.gz CHEKABFAKPKUDR-AWEZNQCLSA-N -1 0 321.735 3.425 50 0 DGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000004741067 181145399 /nfs/dbraw/zinc/14/53/99/181145399.db2.gz WVVKFUZSJVARAU-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM Cc1cccnc1[N-]S(=O)(=O)c1cc(C)c(C)c(C)c1C ZINC000004744853 181146832 /nfs/dbraw/zinc/14/68/32/181146832.db2.gz ZSKQVKXJHINCRR-UHFFFAOYSA-N -1 0 304.415 3.425 50 0 DGAARM CCCOc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004811296 181154854 /nfs/dbraw/zinc/15/48/54/181154854.db2.gz OKBAIJIGUUHBPX-STQMWFEESA-N -1 0 303.358 3.081 50 0 DGAARM CCCCCCOC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004867275 181165732 /nfs/dbraw/zinc/16/57/32/181165732.db2.gz XLSFIBSYYBPNJG-KHPPLWFESA-N -1 0 319.357 3.003 50 0 DGAARM O=C([O-])CC1(NC(=O)CSc2ccccc2)CCCCC1 ZINC000084146679 304043863 /nfs/dbraw/zinc/04/38/63/304043863.db2.gz PMVQEQXLYIXMHU-UHFFFAOYSA-N -1 0 307.415 3.073 50 0 DGAARM CCCCN(C)C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920373 181172765 /nfs/dbraw/zinc/17/27/65/181172765.db2.gz VCODJAWLIBHDKF-UHFFFAOYSA-N -1 0 322.792 3.321 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000005094205 181203162 /nfs/dbraw/zinc/20/31/62/181203162.db2.gz NMCGLARPSJETBQ-UHFFFAOYSA-N -1 0 316.788 3.008 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000005126864 181207284 /nfs/dbraw/zinc/20/72/84/181207284.db2.gz IMSQBQFRKOSQSL-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3ccccc3C)[n-]c2=O)cc1 ZINC000005154524 181210698 /nfs/dbraw/zinc/21/06/98/181210698.db2.gz ITFSJHDNCFFTHR-UHFFFAOYSA-N -1 0 306.369 3.116 50 0 DGAARM Cc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)c(C)c1 ZINC000005154387 181211007 /nfs/dbraw/zinc/21/10/07/181211007.db2.gz LEHKRQRZFRSPTE-UHFFFAOYSA-N -1 0 324.359 3.255 50 0 DGAARM CC[C@H](C)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450813 181244959 /nfs/dbraw/zinc/24/49/59/181244959.db2.gz CRIBHMPKLWFZLL-YVEFUNNKSA-N -1 0 316.401 3.106 50 0 DGAARM O=C([O-])CCCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000072400601 304051110 /nfs/dbraw/zinc/05/11/10/304051110.db2.gz DVLTWBDVTJBIBF-UHFFFAOYSA-N -1 0 324.336 3.089 50 0 DGAARM CCc1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000005686787 181272365 /nfs/dbraw/zinc/27/23/65/181272365.db2.gz RQYPIVAYTNFEOK-UHFFFAOYSA-N -1 0 324.332 3.323 50 0 DGAARM O=C([O-])CCOc1cccc(/C=C\C(=O)c2cccc(O)c2)c1 ZINC000096400930 304057225 /nfs/dbraw/zinc/05/72/25/304057225.db2.gz BEQGJWHLOSWMAR-FPLPWBNLSA-N -1 0 312.321 3.142 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC000237939043 304059622 /nfs/dbraw/zinc/05/96/22/304059622.db2.gz DLFDWZHMCFEOES-ZDUSSCGKSA-N -1 0 319.332 3.431 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000237982446 304062061 /nfs/dbraw/zinc/06/20/61/304062061.db2.gz PTFNWTNDXFDCEJ-OAHLLOKOSA-N -1 0 307.365 3.004 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1 ZINC000013387988 304073982 /nfs/dbraw/zinc/07/39/82/304073982.db2.gz HHVLHRYPYALHDG-SNVBAGLBSA-N -1 0 321.423 3.244 50 0 DGAARM CSCc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237384872 202250703 /nfs/dbraw/zinc/25/07/03/202250703.db2.gz QHTFGPIBLQFZOQ-HNNXBMFYSA-N -1 0 321.442 3.409 50 0 DGAARM Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237747293 202345431 /nfs/dbraw/zinc/34/54/31/202345431.db2.gz MJAZKDWXDXFIMJ-ZDUSSCGKSA-N -1 0 315.369 3.458 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc2[nH]ccc21 ZINC000237937555 202396000 /nfs/dbraw/zinc/39/60/00/202396000.db2.gz GJETYOLFGMWEOB-LBPRGKRZSA-N -1 0 300.358 3.027 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000237939218 202398042 /nfs/dbraw/zinc/39/80/42/202398042.db2.gz DXNCMXRWCSPRFE-ZDUSSCGKSA-N -1 0 300.358 3.027 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1ccccc1 ZINC000237922155 202391247 /nfs/dbraw/zinc/39/12/47/202391247.db2.gz LZXXIOPWYPJSQH-INIZCTEOSA-N -1 0 303.402 3.255 50 0 DGAARM CCc1c(C)sc2[n-]c(=S)n(C[C@H]3CCCO3)c(=O)c12 ZINC000006006219 181305768 /nfs/dbraw/zinc/30/57/68/181305768.db2.gz KXKJAERVMXBKKD-SECBINFHSA-N -1 0 310.444 3.170 50 0 DGAARM O=C([O-])c1cc2cc(NC(=O)C[C@H]3CCCCO3)ccc2s1 ZINC000192874552 200955138 /nfs/dbraw/zinc/95/51/38/200955138.db2.gz BNSQHJBYUXFVPQ-GFCCVEGCSA-N -1 0 319.382 3.497 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)no1 ZINC000006373274 181335118 /nfs/dbraw/zinc/33/51/18/181335118.db2.gz FILUJXFYKLMISE-UHFFFAOYSA-N -1 0 300.767 3.054 50 0 DGAARM O=c1[nH]c2c(cnn2-c2ccccc2)c([O-])c1-c1ccccc1 ZINC000006666701 181367514 /nfs/dbraw/zinc/36/75/14/181367514.db2.gz WEUFYYLICLGBSA-UHFFFAOYSA-N -1 0 303.321 3.086 50 0 DGAARM COc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1OC ZINC000006701028 181373030 /nfs/dbraw/zinc/37/30/30/181373030.db2.gz CWJFDEZLISCKBO-UHFFFAOYSA-N -1 0 301.342 3.323 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000006702268 181373410 /nfs/dbraw/zinc/37/34/10/181373410.db2.gz AMECRDTZMYRVOA-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM C[C@@H]1CN(Cc2c(Cl)ccc([O-])c2Cl)CC[C@]1(C)O ZINC000091425095 193053639 /nfs/dbraw/zinc/05/36/39/193053639.db2.gz MOGYRGBWDRRZOM-OTYXRUKQSA-N -1 0 304.217 3.292 50 0 DGAARM C[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000450529744 240751172 /nfs/dbraw/zinc/75/11/72/240751172.db2.gz AAZQQSPREDAURV-CQSZACIVSA-N -1 0 323.392 3.291 50 0 DGAARM CCCc1c2c(c(O)c3c(=O)cc(C(=O)[O-])oc13)CCCC2 ZINC000000001999 284104571 /nfs/dbraw/zinc/10/45/71/284104571.db2.gz VFFTVZUIDYJUQS-UHFFFAOYSA-N -1 0 302.326 3.028 50 0 in-man DGAARM O=C([O-])c1csc(Cc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000261494744 203074265 /nfs/dbraw/zinc/07/42/65/203074265.db2.gz BTQLNDSIGVDIFP-UHFFFAOYSA-N -1 0 322.695 3.499 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc2cc[nH]c21 ZINC000110623957 304147788 /nfs/dbraw/zinc/14/77/88/304147788.db2.gz WZBQFYLEFMDEFY-SNPRPXQTSA-N -1 0 312.369 3.026 50 0 DGAARM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000262580107 203338702 /nfs/dbraw/zinc/33/87/02/203338702.db2.gz QFBXAFUPRFHVPA-SNVBAGLBSA-N -1 0 319.382 3.336 50 0 DGAARM CC(C)c1ncc(C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000262738204 203396649 /nfs/dbraw/zinc/39/66/49/203396649.db2.gz FZOCTUQCCJRJLP-UHFFFAOYSA-N -1 0 304.371 3.146 50 0 DGAARM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000263483137 203472556 /nfs/dbraw/zinc/47/25/56/203472556.db2.gz UYRCLJHWMJWTPQ-LJQANCHMSA-N -1 0 324.380 3.192 50 0 DGAARM O=C([O-])/C=C/c1cc(Br)c(F)cc1Br ZINC000263625394 203488254 /nfs/dbraw/zinc/48/82/54/203488254.db2.gz ZNAGOKHRVUGCMM-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM Cc1ccc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000095958231 193459512 /nfs/dbraw/zinc/45/95/12/193459512.db2.gz CKAOUNFSNHNWBM-HNNXBMFYSA-N -1 0 301.317 3.080 50 0 DGAARM O=C([O-])CCSc1nnc(-c2cccc3ccccc32)o1 ZINC000008362606 181551495 /nfs/dbraw/zinc/55/14/95/181551495.db2.gz FDMNTXQPAPAJSF-UHFFFAOYSA-N -1 0 300.339 3.457 50 0 DGAARM O=C([O-])c1ccccc1NC(=O)COc1cccc(Cl)c1 ZINC000013166050 181834666 /nfs/dbraw/zinc/83/46/66/181834666.db2.gz QCZZSTBPSZAAMG-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM O=C([O-])[C@H](CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000013253232 181839741 /nfs/dbraw/zinc/83/97/41/181839741.db2.gz XLDSSQQHQMZLJX-SNVBAGLBSA-N -1 0 323.270 3.301 50 0 DGAARM CCc1ccccc1Nc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000016806821 182061183 /nfs/dbraw/zinc/06/11/83/182061183.db2.gz UTZBQXNPPBZYCK-UHFFFAOYSA-N -1 0 306.369 3.474 50 0 DGAARM O=C(/C=C\c1ccco1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000016696288 182058159 /nfs/dbraw/zinc/05/81/59/182058159.db2.gz NTDQBZBUYUVNCW-SREVYHEPSA-N -1 0 303.339 3.180 50 0 DGAARM Cn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccco1 ZINC000016755626 182060131 /nfs/dbraw/zinc/06/01/31/182060131.db2.gz YRGFIOIYTXDPJJ-UHFFFAOYSA-N -1 0 315.354 3.066 50 0 DGAARM O=c1nc(NC2CCCCC2)[n-]nc1Cc1ccc(Cl)cc1 ZINC000017112413 182075522 /nfs/dbraw/zinc/07/55/22/182075522.db2.gz ZRRFHZKOPPUJOR-UHFFFAOYSA-N -1 0 318.808 3.154 50 0 DGAARM CSc1nn2c([n-]1)nc(-c1ccc3ccccc3c1)cc2=O ZINC000018240873 182100090 /nfs/dbraw/zinc/10/00/90/182100090.db2.gz XRZHMTGBKRUITM-UHFFFAOYSA-N -1 0 308.366 3.372 50 0 DGAARM CCCc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000018240853 182100280 /nfs/dbraw/zinc/10/02/80/182100280.db2.gz CWWLWISWVSCCEL-UHFFFAOYSA-N -1 0 316.792 3.335 50 0 DGAARM O=C([O-])c1cc(CC(=O)Nc2ccccc2)nc2ccccc21 ZINC000020523272 182227208 /nfs/dbraw/zinc/22/72/08/182227208.db2.gz ZEMRXGGLTYGNDX-UHFFFAOYSA-N -1 0 306.321 3.114 50 0 DGAARM O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1[O-] ZINC000023039766 182345678 /nfs/dbraw/zinc/34/56/78/182345678.db2.gz QRYASIHEYMQRCA-UHFFFAOYSA-N -1 0 319.744 3.459 50 0 DGAARM O=C([O-])Cc1csc(Cc2ccc(Br)cc2)n1 ZINC000036925387 182853284 /nfs/dbraw/zinc/85/32/84/182853284.db2.gz LMJCAGYWYSQRTQ-UHFFFAOYSA-N -1 0 312.188 3.124 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1F ZINC000038580536 183003112 /nfs/dbraw/zinc/00/31/12/183003112.db2.gz JXLVFSVXIZGSCT-OAHLLOKOSA-N -1 0 317.316 3.268 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1Nc1nccc(-c2cccnc2)n1 ZINC000038781402 183009024 /nfs/dbraw/zinc/00/90/24/183009024.db2.gz LDLZPHLSVKGFSC-UHFFFAOYSA-N -1 0 306.325 3.289 50 0 DGAARM Cc1cc(OCc2ccc(C(=O)[O-])o2)c2c(C)cc(=O)oc2c1 ZINC000040309025 183053477 /nfs/dbraw/zinc/05/34/77/183053477.db2.gz RUYIVRYFIACHMY-UHFFFAOYSA-N -1 0 314.293 3.280 50 0 biogenic DGAARM O=C([O-])c1cc(-c2ccccc2)nc2cc3c(cc21)OCCO3 ZINC000024926952 304219564 /nfs/dbraw/zinc/21/95/64/304219564.db2.gz DJJFRKNLXJUANQ-UHFFFAOYSA-N -1 0 307.305 3.371 50 0 DGAARM O=C([O-])c1cc(I)ccc1C(F)(F)F ZINC000098178486 304225405 /nfs/dbraw/zinc/22/54/05/304225405.db2.gz YCXYILXKMVBHHE-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM CCCCc1nc(C)c(C(=O)NC2(C(=O)[O-])CCCCC2)s1 ZINC000058365124 184109316 /nfs/dbraw/zinc/10/93/16/184109316.db2.gz ALAYJYPKNTVZQG-UHFFFAOYSA-N -1 0 324.446 3.311 50 0 DGAARM CSCC[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)[O-] ZINC000006357203 295601283 /nfs/dbraw/zinc/60/12/83/295601283.db2.gz IKNZYRJATZFKEJ-WXRRBKDZSA-N -1 0 315.479 3.161 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000058406163 184113534 /nfs/dbraw/zinc/11/35/34/184113534.db2.gz DKJFOLHDWOGYKE-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=C([O-])c1cnn2c1nccc2-c1ccc(C(F)(F)F)cc1 ZINC000083255509 304280079 /nfs/dbraw/zinc/28/00/79/304280079.db2.gz GELXSWMAYFQGSJ-UHFFFAOYSA-N -1 0 307.231 3.113 50 0 DGAARM CCc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233720 400375992 /nfs/dbraw/zinc/37/59/92/400375992.db2.gz BUFROQVSBNIRJD-LSDHHAIUSA-N -1 0 319.401 3.427 50 0 DGAARM C[C@@H](CC(=O)[O-])N(C(N)=O)c1ccc(Nc2ccccc2)cc1 ZINC000075252963 400566889 /nfs/dbraw/zinc/56/68/89/400566889.db2.gz DAKULKGIWDQQTO-LBPRGKRZSA-N -1 0 313.357 3.179 50 0 DGAARM CC(C)[C@](C)(NC(=O)/C=C/c1cccc2ccccc12)C(=O)[O-] ZINC000170592096 400763740 /nfs/dbraw/zinc/76/37/40/400763740.db2.gz BPKZLWKZWKCEEI-CVTTXWKISA-N -1 0 311.381 3.469 50 0 DGAARM O=C(CCCCCn1cccc1)Nc1n[nH]c(-c2ccco2)n1 ZINC000604419339 400774805 /nfs/dbraw/zinc/77/48/05/400774805.db2.gz BKTPXQLLLDIBRQ-UHFFFAOYSA-N -1 0 313.361 3.065 50 0 DGAARM Cn1ncc(C2CC2)c1/C=C/c1ncc(/C=C\C(=O)[O-])s1 ZINC000606445016 400913365 /nfs/dbraw/zinc/91/33/65/400913365.db2.gz IKJHWZBITXHTLO-NRVNPBJCSA-N -1 0 301.371 3.022 50 0 DGAARM O=C([O-])/C=C\c1cnc(/C=C\c2ccnn2CC2CC2)s1 ZINC000606445081 400914772 /nfs/dbraw/zinc/91/47/72/400914772.db2.gz WPPFXYUDWPFNBL-GLIMQPGKSA-N -1 0 301.371 3.018 50 0 DGAARM Cc1ccc2oc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2n1 ZINC000225551316 400957785 /nfs/dbraw/zinc/95/77/85/400957785.db2.gz RIFZCZCUZDRPEV-UHFFFAOYSA-N -1 0 314.272 3.226 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630218772 401220228 /nfs/dbraw/zinc/22/02/28/401220228.db2.gz SSEZMNIHPWCSJT-QXSJWSMHSA-N -1 0 319.376 3.079 50 0 DGAARM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000360801729 286537616 /nfs/dbraw/zinc/53/76/16/286537616.db2.gz MGSJZULGHJJSCS-UHFFFAOYSA-N -1 0 318.370 3.093 50 0 DGAARM C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC000005696348 296765867 /nfs/dbraw/zinc/76/58/67/296765867.db2.gz GEQXSECHWINMQT-VWYCJHECSA-N -1 0 322.430 3.097 50 0 DGAARM CCC(CC)(CNC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000164995833 164595978 /nfs/dbraw/zinc/59/59/78/164595978.db2.gz LNHCGJWXJJXQAF-UHFFFAOYSA-N -1 0 301.745 3.100 50 0 DGAARM CC[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262986716 165827077 /nfs/dbraw/zinc/82/70/77/165827077.db2.gz LKCQXSFMPYMARL-CQSZACIVSA-N -1 0 324.808 3.297 50 0 DGAARM CCc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000131964195 196214720 /nfs/dbraw/zinc/21/47/20/196214720.db2.gz GGODFWUZGZQDTF-GFCCVEGCSA-N -1 0 301.367 3.139 50 0 DGAARM CC[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000237073606 287463605 /nfs/dbraw/zinc/46/36/05/287463605.db2.gz VGHCCSHWAZWLAU-ZBFHGGJFSA-N -1 0 303.402 3.284 50 0 DGAARM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000299752510 229396172 /nfs/dbraw/zinc/39/61/72/229396172.db2.gz UIXFCJQHGJCGJG-CYBMUJFWSA-N -1 0 316.382 3.127 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000000271002 425549055 /nfs/dbraw/zinc/54/90/55/425549055.db2.gz XVFHFTCCXKMOJF-UHFFFAOYSA-N -1 0 304.415 3.488 50 0 DGAARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)c1 ZINC000096483220 426434779 /nfs/dbraw/zinc/43/47/79/426434779.db2.gz VAUVCCKJPXGMDY-UHFFFAOYSA-N -1 0 318.398 3.092 50 0 DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000000069679 431119348 /nfs/dbraw/zinc/11/93/48/431119348.db2.gz FBPUHIZUSSEOAN-NEPJUHHUSA-N -1 0 309.312 3.351 50 0 DGAARM Cc1oc2ccc(O[C@@H](C)C(=O)[O-])cc2c1C(=O)OC(C)C ZINC000000083626 431122700 /nfs/dbraw/zinc/12/27/00/431122700.db2.gz HEZPUZLYAKUHFD-JTQLQIEISA-N -1 0 306.314 3.158 50 0 DGAARM Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000089616 431123546 /nfs/dbraw/zinc/12/35/46/431123546.db2.gz HLQMPESPBXMWOE-UHFFFAOYSA-N -1 0 316.304 3.088 50 0 DGAARM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000000116232 431128161 /nfs/dbraw/zinc/12/81/61/431128161.db2.gz VTVHHOVUHHDUHU-OAHLLOKOSA-N -1 0 301.317 3.080 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)c2ccccc2C(=O)[O-])c(C)c1 ZINC000000208864 431144633 /nfs/dbraw/zinc/14/46/33/431144633.db2.gz GKZLEVUTNBLQMQ-UHFFFAOYSA-N -1 0 304.367 3.143 50 0 DGAARM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069117592 431164996 /nfs/dbraw/zinc/16/49/96/431164996.db2.gz ZPZHRWPQEYHHHS-CABZTGNLSA-N -1 0 317.414 3.306 50 0 DGAARM Cc1ccc(C(=O)NC(=S)Nc2ccccc2O)cc1C ZINC000000342132 431168578 /nfs/dbraw/zinc/16/85/78/431168578.db2.gz VTUOVPYZFFMFCX-UHFFFAOYSA-N -1 0 300.383 3.136 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])sc2c1 ZINC000000441651 431182086 /nfs/dbraw/zinc/18/20/86/431182086.db2.gz BGHAFOSGELEWAZ-GHMZBOCLSA-N -1 0 316.382 3.210 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1C ZINC000000461305 431187996 /nfs/dbraw/zinc/18/79/96/431187996.db2.gz BWJQFMHXRLQAPP-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cn1c(=O)c([O-])c2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2 ZINC000000485610 431194556 /nfs/dbraw/zinc/19/45/56/431194556.db2.gz QZGHXRVKXIKHHT-UHFFFAOYSA-N -1 0 311.724 3.109 50 0 biogenic DGAARM COc1ccc([C@H](O)[P@@](=O)([O-])CCc2ccccc2)cc1 ZINC000000550382 431200381 /nfs/dbraw/zinc/20/03/81/431200381.db2.gz DPXGQGCYSAUEKH-MRXNPFEDSA-N -1 0 306.298 3.199 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000000215315 431146544 /nfs/dbraw/zinc/14/65/44/431146544.db2.gz QWANGLOVFHFFIW-IAGOWNOFSA-N -1 0 313.397 3.193 50 0 DGAARM O=C([O-])c1cccnc1SCC(=O)Nc1ccccc1Cl ZINC000000217947 431147826 /nfs/dbraw/zinc/14/78/26/431147826.db2.gz QBKSSTOECAIKJL-UHFFFAOYSA-N -1 0 322.773 3.164 50 0 DGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000000249009 431154051 /nfs/dbraw/zinc/15/40/51/431154051.db2.gz QYWQDUGUCKYQMV-UHFFFAOYSA-N -1 0 321.398 3.067 50 0 DGAARM O=C([O-])CCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000267334 431155796 /nfs/dbraw/zinc/15/57/96/431155796.db2.gz CJXUKQSCFZPIQG-UHFFFAOYSA-N -1 0 310.309 3.298 50 0 DGAARM O=C(NCc1csc(C2CC2)n1)c1ccc([O-])c(Cl)c1 ZINC000069973333 431237255 /nfs/dbraw/zinc/23/72/55/431237255.db2.gz XRSLXIYBVPNJSR-UHFFFAOYSA-N -1 0 308.790 3.310 50 0 DGAARM Cc1ccccc1OCCCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000001772485 431238159 /nfs/dbraw/zinc/23/81/59/431238159.db2.gz BCHYEDUMFVKWGE-UHFFFAOYSA-N -1 0 313.353 3.491 50 0 DGAARM O=C([O-])[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 ZINC000002556687 431258640 /nfs/dbraw/zinc/25/86/40/431258640.db2.gz MNABZONTQXNLDT-HNNXBMFYSA-N -1 0 305.374 3.336 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2ccc(F)cc2)CC1 ZINC000002553959 431256680 /nfs/dbraw/zinc/25/66/80/431256680.db2.gz OBWPBURFIWEBBY-UHFFFAOYSA-N -1 0 323.364 3.179 50 0 DGAARM COC(=O)[C@]12CC=CC[C@@]1(C(=O)[O-])CCc1c(C)ccc(C)c12 ZINC000071785967 431288316 /nfs/dbraw/zinc/28/83/16/431288316.db2.gz GEWVPNJVWPGKHP-RBUKOAKNSA-N -1 0 314.381 3.081 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000002626865 431260028 /nfs/dbraw/zinc/26/00/28/431260028.db2.gz GRFDYWOHYWMEKE-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM O=C([O-])[C@H](CC(=O)c1ccccc1)Nc1ccccc1Cl ZINC000002818562 431273327 /nfs/dbraw/zinc/27/33/27/431273327.db2.gz GBUSAVOZDIVSAA-AWEZNQCLSA-N -1 0 303.745 3.478 50 0 DGAARM Cc1cccc(C)c1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006742444 431318794 /nfs/dbraw/zinc/31/87/94/431318794.db2.gz MUQZTVYAHZKJSC-WUCCLRPBSA-N -1 0 301.386 3.379 50 0 DGAARM O=c1c2ccccc2[n-]c(=S)n1CCCOCc1ccco1 ZINC000007047572 431328527 /nfs/dbraw/zinc/32/85/27/431328527.db2.gz FKLAQPUUQRRZOX-UHFFFAOYSA-N -1 0 316.382 3.259 50 0 DGAARM COc1ccc(CCn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000007045486 431330583 /nfs/dbraw/zinc/33/05/83/431330583.db2.gz FBRYHYYMEDPXPE-UHFFFAOYSA-N -1 0 312.394 3.310 50 0 DGAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000007381937 431344110 /nfs/dbraw/zinc/34/41/10/431344110.db2.gz ZVJDHCIIQROCIM-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccccc1F ZINC000007709435 431359759 /nfs/dbraw/zinc/35/97/59/431359759.db2.gz LBODIVLKSINRFD-UHFFFAOYSA-N -1 0 302.330 3.175 50 0 DGAARM CC(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000008919854 431417332 /nfs/dbraw/zinc/41/73/32/431417332.db2.gz FMNDSVFSVODCGG-UHFFFAOYSA-N -1 0 318.373 3.009 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1 ZINC000008195585 431385359 /nfs/dbraw/zinc/38/53/59/431385359.db2.gz VMKFDGZZTLOMLG-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1nn(-c2ccccn2)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000008427676 431399431 /nfs/dbraw/zinc/39/94/31/431399431.db2.gz DOCMKIVTYYWODN-UHFFFAOYSA-N -1 0 320.308 3.082 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)OCc1ccccc1 ZINC000008698456 431406212 /nfs/dbraw/zinc/40/62/12/431406212.db2.gz ACQYZSFXPXXIHL-MRXNPFEDSA-N -1 0 311.337 3.007 50 0 DGAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)s2)n[nH]1 ZINC000009686607 431444305 /nfs/dbraw/zinc/44/43/05/431444305.db2.gz VIQJZKBQPCWFRJ-UHFFFAOYSA-N -1 0 319.411 3.247 50 0 DGAARM Cc1ccc(O)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000075106838 431453709 /nfs/dbraw/zinc/45/37/09/431453709.db2.gz UGEGIFHQTBAALT-UHFFFAOYSA-N -1 0 305.399 3.427 50 0 DGAARM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 ZINC000009306784 431427715 /nfs/dbraw/zinc/42/77/15/431427715.db2.gz CAWSWHYDMPHTKG-JTQLQIEISA-N -1 0 304.321 3.099 50 0 DGAARM O=C([O-])C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000011767209 431480074 /nfs/dbraw/zinc/48/00/74/431480074.db2.gz QFXRCKGPDHNBLM-UHFFFAOYSA-N -1 0 323.392 3.219 50 0 DGAARM CCOC(=O)N=c1[n-]nc(C=Cc2ccc(OC)cc2)s1 ZINC000009350919 431431174 /nfs/dbraw/zinc/43/11/74/431431174.db2.gz CJKOTYGGVKOLSP-RMKNXTFCSA-N -1 0 305.359 3.286 50 0 DGAARM O=C([O-])c1ccccc1S(=O)(=O)Cc1ccccc1Cl ZINC000011944972 431488173 /nfs/dbraw/zinc/48/81/73/431488173.db2.gz JWIMQEORJZAZMA-UHFFFAOYSA-N -1 0 310.758 3.012 50 0 DGAARM COc1ccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1F ZINC000013469406 431556171 /nfs/dbraw/zinc/55/61/71/431556171.db2.gz CCSFEQPUELHBSJ-LLVKDONJSA-N -1 0 323.364 3.047 50 0 DGAARM CCCCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000013497052 431558582 /nfs/dbraw/zinc/55/85/82/431558582.db2.gz QFNVRQFVZRSSFW-UHFFFAOYSA-N -1 0 318.402 3.095 50 0 DGAARM O=[P@@H]([O-])[C@H](NCc1ccccc1)c1cccc2cccnc21 ZINC000013690019 431562291 /nfs/dbraw/zinc/56/22/91/431562291.db2.gz ULRHYSWSXIDCCO-KRWDZBQOSA-N -1 0 312.309 3.490 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000013167072 431548489 /nfs/dbraw/zinc/54/84/89/431548489.db2.gz LDIAMHNNEXFPTG-UHFFFAOYSA-N -1 0 323.392 3.214 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000013260723 431552805 /nfs/dbraw/zinc/55/28/05/431552805.db2.gz NXJNBWFQZLMJRI-SSDOTTSWSA-N -1 0 320.147 3.069 50 0 DGAARM O=C([O-])CCCSc1nnc(NCc2ccccc2)s1 ZINC000014185006 431583474 /nfs/dbraw/zinc/58/34/74/431583474.db2.gz HPSXSKLOLBZSMJ-UHFFFAOYSA-N -1 0 309.416 3.107 50 0 DGAARM COc1ccc(/C=C(\C(=O)[O-])c2ccc(OC)c(OC)c2)cc1 ZINC000015303705 431606576 /nfs/dbraw/zinc/60/65/76/431606576.db2.gz GJOOKKLVLJZZJR-GDNBJRDFSA-N -1 0 314.337 3.338 50 0 DGAARM CCCC[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)[O-] ZINC000033689774 431814266 /nfs/dbraw/zinc/81/42/66/431814266.db2.gz QPWWUYHVJUXKJM-ZDUSSCGKSA-N -1 0 318.398 3.172 50 0 DGAARM CC[C@H](C)[C@H](NC(=O)c1cc2cc(F)ccc2s1)C(=O)[O-] ZINC000037411222 431846919 /nfs/dbraw/zinc/84/69/19/431846919.db2.gz MNRTXFHQWGAVRF-SDBXPKJASA-N -1 0 309.362 3.270 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000035302977 431828688 /nfs/dbraw/zinc/82/86/88/431828688.db2.gz WCQHDDRJXDDEQE-GFCCVEGCSA-N -1 0 306.749 3.044 50 0 DGAARM CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)[O-])cc1 ZINC000035348209 431830282 /nfs/dbraw/zinc/83/02/82/431830282.db2.gz YTHRMBWUTZGQQZ-UHFFFAOYSA-N -1 0 322.407 3.330 50 0 DGAARM O=c1nc(CN2CCC[C@@H]2c2cccs2)[n-]c2ccsc21 ZINC000035421774 431831158 /nfs/dbraw/zinc/83/11/58/431831158.db2.gz DWDLPLCUELHZNM-LLVKDONJSA-N -1 0 317.439 3.383 50 0 DGAARM C[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000047085596 431905366 /nfs/dbraw/zinc/90/53/66/431905366.db2.gz JNGPJOJEKFKTBX-ONGXEEELSA-N -1 0 317.414 3.306 50 0 DGAARM CCCCN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047063053 431905517 /nfs/dbraw/zinc/90/55/17/431905517.db2.gz GDVKYEBOSZFNBR-UHFFFAOYSA-N -1 0 305.403 3.260 50 0 DGAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000047085598 431905590 /nfs/dbraw/zinc/90/55/90/431905590.db2.gz JNGPJOJEKFKTBX-MWLCHTKSSA-N -1 0 317.414 3.306 50 0 DGAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000095965571 431928963 /nfs/dbraw/zinc/92/89/63/431928963.db2.gz BDOOHJNZIHRJBL-UHFFFAOYSA-N -1 0 306.749 3.283 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)c2cccc(F)c2Cl)c1 ZINC000095970422 431929673 /nfs/dbraw/zinc/92/96/73/431929673.db2.gz PJEWLUTXQDJMAA-UHFFFAOYSA-N -1 0 307.708 3.107 50 0 DGAARM Cc1cccc2cc(C(=O)N(CCC(=O)[O-])CC3CC3)oc21 ZINC000095969867 431930012 /nfs/dbraw/zinc/93/00/12/431930012.db2.gz FBNAPZWIFRNGRM-UHFFFAOYSA-N -1 0 301.342 3.068 50 0 DGAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC=CCC1 ZINC000095970086 431930169 /nfs/dbraw/zinc/93/01/69/431930169.db2.gz WTKAWTULBNSGFQ-ZDUSSCGKSA-N -1 0 323.339 3.124 50 0 DGAARM CCc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)o1 ZINC000095989328 431932360 /nfs/dbraw/zinc/93/23/60/431932360.db2.gz JSTDHVPBOWQONJ-CQSZACIVSA-N -1 0 319.332 3.235 50 0 DGAARM Cc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)o1 ZINC000096313960 431944522 /nfs/dbraw/zinc/94/45/22/431944522.db2.gz LQIABUVNDRFFOU-KRZKBDHCSA-N -1 0 300.310 3.336 50 0 DGAARM O=C([O-])CCOc1cccc(/C=C2/COc3ccccc3C2=O)c1 ZINC000096402482 431945579 /nfs/dbraw/zinc/94/55/79/431945579.db2.gz UUZKPNHDDYEWSY-UVTDQMKNSA-N -1 0 324.332 3.199 50 0 DGAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000050290301 431947516 /nfs/dbraw/zinc/94/75/16/431947516.db2.gz BYZWZXZGSOSVKJ-SSDOTTSWSA-N -1 0 302.157 3.035 50 0 DGAARM Cc1cccc2[nH]cc(CC(=O)NCc3cccc(C(=O)[O-])c3)c21 ZINC000096480483 431952916 /nfs/dbraw/zinc/95/29/16/431952916.db2.gz UXNXJTYFMKQDIL-UHFFFAOYSA-N -1 0 322.364 3.033 50 0 DGAARM Cc1oc(CN(C)C(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000096480440 431952955 /nfs/dbraw/zinc/95/29/55/431952955.db2.gz SITQFWMWUCJKSP-UHFFFAOYSA-N -1 0 305.305 3.006 50 0 DGAARM Cc1cscc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000097035739 431957126 /nfs/dbraw/zinc/95/71/26/431957126.db2.gz WEWLPVRXNUABAC-RISCZKNCSA-N -1 0 303.383 3.248 50 0 DGAARM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000097045104 431957521 /nfs/dbraw/zinc/95/75/21/431957521.db2.gz YRFKUHRSBMZFMI-HUUCEWRRSA-N -1 0 303.402 3.284 50 0 DGAARM CN1CCC[C@H]1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000097079797 431959740 /nfs/dbraw/zinc/95/97/40/431959740.db2.gz ZGKZKUYMSXYCLI-QMMMGPOBSA-N -1 0 323.607 3.385 50 0 DGAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000097228697 431964849 /nfs/dbraw/zinc/96/48/49/431964849.db2.gz VIUAJIBJFQRJAH-SJCJKPOMSA-N -1 0 322.364 3.360 50 0 DGAARM CC1(C)CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000096100838 281081370 /nfs/dbraw/zinc/08/13/70/281081370.db2.gz RMWIIMFQNFCQMW-ZIAGYGMSSA-N -1 0 313.397 3.368 50 0 DGAARM CCSc1nn2c([n-]1)nc(-c1cccc3ccccc31)cc2=O ZINC000101403630 431984471 /nfs/dbraw/zinc/98/44/71/431984471.db2.gz XUIRGROBVJDJSN-UHFFFAOYSA-N -1 0 322.393 3.350 50 0 DGAARM Cc1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1 ZINC000254799013 432404488 /nfs/dbraw/zinc/40/44/88/432404488.db2.gz RJRORZLYYMQEIB-UHFFFAOYSA-N -1 0 306.333 3.066 50 0 DGAARM C[C@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC000262858778 432505520 /nfs/dbraw/zinc/50/55/20/432505520.db2.gz VDHFHFCZORFQNM-LBPRGKRZSA-N -1 0 310.353 3.324 50 0 DGAARM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC000262967051 432511683 /nfs/dbraw/zinc/51/16/83/432511683.db2.gz AQMZQNOGUVYKFL-INIZCTEOSA-N -1 0 310.353 3.066 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263478393 432548821 /nfs/dbraw/zinc/54/88/21/432548821.db2.gz KCDGIACSZIJZSF-LLVKDONJSA-N -1 0 316.382 3.354 50 0 DGAARM CCc1ccc2occ(C(=O)NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000263147213 432522667 /nfs/dbraw/zinc/52/26/67/432522667.db2.gz NFZDPCYHQRHQQF-UHFFFAOYSA-N -1 0 315.369 3.368 50 0 DGAARM C[C@H](c1cccs1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263368505 432538324 /nfs/dbraw/zinc/53/83/24/432538324.db2.gz XAKFLKDDZMTGSL-LLVKDONJSA-N -1 0 303.383 3.208 50 0 DGAARM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263419895 432542810 /nfs/dbraw/zinc/54/28/10/432542810.db2.gz PCYUCGAMUBQBMQ-CYBMUJFWSA-N -1 0 324.380 3.221 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000195541334 432626598 /nfs/dbraw/zinc/62/65/98/432626598.db2.gz JHJZFSHNGNBNSA-KRWDZBQOSA-N -1 0 311.381 3.096 50 0 DGAARM O=C([O-])C1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000225466207 432692648 /nfs/dbraw/zinc/69/26/48/432692648.db2.gz KZQDNSJPXONJQF-ROUUACIJSA-N -1 0 323.392 3.267 50 0 DGAARM O=C(Nc1cccc2nonc21)c1cc(F)c(F)c(F)c1F ZINC000225795535 432698142 /nfs/dbraw/zinc/69/81/42/432698142.db2.gz WBEJTYDLGSQIGB-UHFFFAOYSA-N -1 0 311.194 3.032 50 0 DGAARM O=C([O-])C[C@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 ZINC000226751124 432707721 /nfs/dbraw/zinc/70/77/21/432707721.db2.gz CGLNNIDLYDKOCJ-LBPRGKRZSA-N -1 0 321.373 3.152 50 0 DGAARM Cc1ncc(/C=C\C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000221916869 432670239 /nfs/dbraw/zinc/67/02/39/432670239.db2.gz WILOCQPDUGIUCL-TZRLODCYSA-N -1 0 314.366 3.201 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2[nH]ccc21 ZINC000225444366 432691246 /nfs/dbraw/zinc/69/12/46/432691246.db2.gz QVCJRCJRUGZPRL-UHFFFAOYSA-N -1 0 308.337 3.138 50 0 DGAARM Cc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)on1 ZINC000225442838 432691486 /nfs/dbraw/zinc/69/14/86/432691486.db2.gz BLVHSLIJCFGXOC-UHFFFAOYSA-N -1 0 302.311 3.148 50 0 DGAARM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)o1 ZINC000244794995 432824378 /nfs/dbraw/zinc/82/43/78/432824378.db2.gz QXTKDOWSGCORMQ-ZDUSSCGKSA-N -1 0 319.382 3.088 50 0 DGAARM CCc1oc2cc([O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005686721 288667358 /nfs/dbraw/zinc/66/73/58/288667358.db2.gz RCSXFTMBTOUQMF-UHFFFAOYSA-N -1 0 324.332 3.499 50 0 biogenic DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000238018640 432809996 /nfs/dbraw/zinc/80/99/96/432809996.db2.gz YKDLTTLHCROVCV-LLVKDONJSA-N -1 0 319.332 3.289 50 0 DGAARM COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237337833 295202912 /nfs/dbraw/zinc/20/29/12/295202912.db2.gz SWUBSIMNKITSML-UKRRQHHQSA-N -1 0 319.401 3.045 50 0 DGAARM COc1ccc2c(c1)sc1nc([O-])c(-c3ccccc3)c(=O)n21 ZINC000008572821 295277220 /nfs/dbraw/zinc/27/72/20/295277220.db2.gz KMYKNLACIDADFA-UHFFFAOYSA-N -1 0 324.361 3.290 50 0 DGAARM C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](CC(=O)[O-])c2ccccc2)C1 ZINC000226750800 297224305 /nfs/dbraw/zinc/22/43/05/297224305.db2.gz IJDRUHJABQUVLE-FMKPAKJESA-N -1 0 303.402 3.140 50 0 DGAARM CC(C)(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000535617396 435338823 /nfs/dbraw/zinc/33/88/23/435338823.db2.gz QOBJDSNWLYDSSL-GFCCVEGCSA-N -1 0 303.280 3.092 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)no1 ZINC000000090938 301364061 /nfs/dbraw/zinc/36/40/61/301364061.db2.gz SGLWTLWGOJOIGJ-UHFFFAOYSA-N -1 0 307.158 3.091 50 0 DGAARM Cc1cccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659196697 436475682 /nfs/dbraw/zinc/47/56/82/436475682.db2.gz XJALIQDLYMJLEK-YESZJQIVSA-N -1 0 315.413 3.029 50 0 DGAARM Cc1cccc(C2(C(=O)N3CCC(C(=O)[O-])CC3)CCCC2)c1 ZINC000237924218 301978884 /nfs/dbraw/zinc/97/88/84/301978884.db2.gz SRWFJXVCIVBRMX-UHFFFAOYSA-N -1 0 315.413 3.130 50 0 DGAARM Cc1ccccc1-n1c(SCC(=O)[O-])nnc1[C@H]1CC1(C)C ZINC000065527699 302074587 /nfs/dbraw/zinc/07/45/87/302074587.db2.gz ROSKQADJSYHCHP-LLVKDONJSA-N -1 0 317.414 3.266 50 0 DGAARM Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000000204455 302548419 /nfs/dbraw/zinc/54/84/19/302548419.db2.gz DQMYLLBAFOKVNE-UHFFFAOYSA-N -1 0 320.348 3.215 50 0 DGAARM Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000000267428 302548612 /nfs/dbraw/zinc/54/86/12/302548612.db2.gz NADAXHZILBWKMQ-UHFFFAOYSA-N -1 0 320.348 3.215 50 0 DGAARM Nc1ccc([C@@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000107748668 303497618 /nfs/dbraw/zinc/49/76/18/303497618.db2.gz ORBOZDPKLINAJR-CQSZACIVSA-N -1 0 320.186 3.442 50 0 DGAARM Cc1cc(Cl)c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1C ZINC000563261872 315096626 /nfs/dbraw/zinc/09/66/26/315096626.db2.gz JFHROVONBBPFFF-LBPRGKRZSA-N -1 0 309.793 3.188 50 0 DGAARM CCOc1cccc2cc([C@H](C)NC(=O)C(C)(C)C(=O)[O-])oc21 ZINC000567355721 315416294 /nfs/dbraw/zinc/41/62/94/315416294.db2.gz MEVMPYMXLRTXEO-JTQLQIEISA-N -1 0 319.357 3.120 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000299421870 331690908 /nfs/dbraw/zinc/69/09/08/331690908.db2.gz UUCFFWNZLVPMGW-CYBMUJFWSA-N -1 0 324.380 3.049 50 0 DGAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)C2=CCCCC2)c1 ZINC000097288885 500838290 /nfs/dbraw/zinc/83/82/90/500838290.db2.gz UHTKISYECDOFLN-NSHDSACASA-N -1 0 303.358 3.012 50 0 DGAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(Cc3ccc(Cl)cc3)CC2)C1 ZINC000299791166 534522945 /nfs/dbraw/zinc/52/29/45/534522945.db2.gz CDSZVMBIQMHWBA-QWHCGFSZSA-N -1 0 321.804 3.032 50 0 DGAARM CCC[C@@H](C(=O)[O-])[S@@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000408520272 528849371 /nfs/dbraw/zinc/84/93/71/528849371.db2.gz ZPJQMECHCRIOPD-YBTHPKLGSA-N -1 0 308.321 3.207 50 0 DGAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000167134722 546097287 /nfs/dbraw/zinc/09/72/87/546097287.db2.gz RCACUEZJPIPMPP-GFCCVEGCSA-N -1 0 301.367 3.275 50 0 DGAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000167134611 546097814 /nfs/dbraw/zinc/09/78/14/546097814.db2.gz RCACUEZJPIPMPP-LBPRGKRZSA-N -1 0 301.367 3.275 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc2cccc(F)c2o1 ZINC000170071367 546099923 /nfs/dbraw/zinc/09/99/23/546099923.db2.gz LHURJGKNCVUJLL-NSHDSACASA-N -1 0 305.305 3.041 50 0 DGAARM O=C([O-])[C@@H](c1ccccc1Cl)N1Cc2ccccc2C1=O ZINC000575442351 547015065 /nfs/dbraw/zinc/01/50/65/547015065.db2.gz BKYRVETWKLBGPD-CQSZACIVSA-N -1 0 301.729 3.122 50 0 DGAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000170043832 563902852 /nfs/dbraw/zinc/90/28/52/563902852.db2.gz AACKMQZTNGJCKZ-MFKMUULPSA-N -1 0 321.373 3.323 50 0 DGAARM Cc1nc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(C)o1 ZINC000888097681 618625592 /nfs/dbraw/zinc/62/55/92/618625592.db2.gz YIIIXPQYENTIGK-UHFFFAOYSA-N -1 0 324.327 3.047 50 0 DGAARM C=Cc1ccc(S(=O)(=O)[N-]c2nnc(CCC(C)C)o2)cc1 ZINC000864089186 621735677 /nfs/dbraw/zinc/73/56/77/621735677.db2.gz MQSDEORWCBXJQJ-UHFFFAOYSA-N -1 0 321.402 3.102 50 0 DGAARM O=c1c2c(n(-c3ccccc3)nc1[O-])C(=Cc1ccccc1)CC2 ZINC000104741230 627447782 /nfs/dbraw/zinc/44/77/82/627447782.db2.gz YMPLNNSNTBVOGT-SQFISAMPSA-N -1 0 316.360 3.013 50 0 DGAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(-c2ccccc2)o1 ZINC000000175817 655523812 /nfs/dbraw/zinc/52/38/12/655523812.db2.gz GTHGYHHOVUKFCI-UHFFFAOYSA-N -1 0 306.277 3.216 50 0 DGAARM CC(=O)Nc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000078999020 655551526 /nfs/dbraw/zinc/55/15/26/655551526.db2.gz RLKSUZUARWHMES-QDJBHUIFSA-N -1 0 314.366 3.370 50 0 DGAARM [O-]c1ccccc1-c1nc2ccccc2c(NC[C@@H]2CCOC2)n1 ZINC000004307470 656249245 /nfs/dbraw/zinc/24/92/45/656249245.db2.gz DTZQKCAUVSNCFL-ZDUSSCGKSA-N -1 0 321.380 3.451 50 0 DGAARM CC(C)(C)OC(=O)N1CC2(CC2)c2ccccc2[C@@H]1C(=O)[O-] ZINC000950756092 662086707 /nfs/dbraw/zinc/08/67/07/662086707.db2.gz MWWPGTALMINHLC-CYBMUJFWSA-N -1 0 303.358 3.095 50 0 DGAARM CCn1nc(C)c(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c1C ZINC000078869149 185121328 /nfs/dbraw/zinc/12/13/28/185121328.db2.gz BNNJWBPEHAYCSI-BQYQJAHWSA-N -1 0 314.389 3.302 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000095389845 185351283 /nfs/dbraw/zinc/35/12/83/185351283.db2.gz HTOSORJVRBPPIS-PSKZRQQASA-N -1 0 301.367 3.094 50 0 DGAARM COCc1cccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000095425540 185361639 /nfs/dbraw/zinc/36/16/39/185361639.db2.gz IRHJAHCGWSNNBT-UHFFFAOYSA-N -1 0 313.353 3.103 50 0 DGAARM C[C@H](C(=O)[O-])[C@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000097018268 185397750 /nfs/dbraw/zinc/39/77/50/185397750.db2.gz QFWSUFHDXSPXNA-LRDDRELGSA-N -1 0 317.410 3.259 50 0 DGAARM CCc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000097019357 185398017 /nfs/dbraw/zinc/39/80/17/185398017.db2.gz KGBOVUOYNOMFOP-CQSZACIVSA-N -1 0 301.342 3.096 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccccc1Cl ZINC000064983747 190706866 /nfs/dbraw/zinc/70/68/66/190706866.db2.gz SXORFUCAVNSBMK-UHFFFAOYSA-N -1 0 320.776 3.349 50 0 DGAARM CCC(CC)c1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)on1 ZINC000236713859 201977657 /nfs/dbraw/zinc/97/76/57/201977657.db2.gz XZNLDEHUEVYVAH-LBPRGKRZSA-N -1 0 322.405 3.295 50 0 DGAARM CCCc1nc(C)cc(N2CCC(CC3CC3)(C(=O)[O-])CC2)n1 ZINC000071614505 190993906 /nfs/dbraw/zinc/99/39/06/190993906.db2.gz BSAYQVLGFDBXMP-UHFFFAOYSA-N -1 0 317.433 3.209 50 0 DGAARM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1CCc1ccccc1 ZINC000237460700 186293201 /nfs/dbraw/zinc/29/32/01/186293201.db2.gz GMGAEGXEKLKAPW-AWEZNQCLSA-N -1 0 311.381 3.065 50 0 DGAARM O=C([O-])/C(Br)=C(/Br)c1ccccc1 ZINC000001586407 304023135 /nfs/dbraw/zinc/02/31/35/304023135.db2.gz YCUQJKHDFXAMBE-FPLPWBNLSA-N -1 0 305.953 3.230 50 0 DGAARM Cc1cc(C(=O)NCc2oc(C(C)(C)C)cc2C(=O)[O-])c(C)o1 ZINC000000032787 180672571 /nfs/dbraw/zinc/67/25/71/180672571.db2.gz HVLURAZESJXFIW-UHFFFAOYSA-N -1 0 319.357 3.415 50 0 DGAARM Cc1c2ccc(O[C@H](C)C(=O)[O-])cc2oc(=O)c1CC(C)C ZINC000000069969 180683463 /nfs/dbraw/zinc/68/34/63/180683463.db2.gz SBOVCAKWTFKELI-LLVKDONJSA-N -1 0 304.342 3.152 50 0 biogenic DGAARM CCC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072417932 191155585 /nfs/dbraw/zinc/15/55/85/191155585.db2.gz ZBRAIWATOUSRKW-AWEZNQCLSA-N -1 0 303.402 3.212 50 0 DGAARM CC(C)=CCOc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1 ZINC000004046645 181066760 /nfs/dbraw/zinc/06/67/60/181066760.db2.gz WIEHVPPSXKBDJL-UHFFFAOYSA-N -1 0 316.353 3.464 50 0 biogenic DGAARM Cc1ccc2c(cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2C)c1 ZINC000004000383 181061297 /nfs/dbraw/zinc/06/12/97/181061297.db2.gz YXBKSLNHHYEILM-QGZVFWFLSA-N -1 0 322.364 3.042 50 0 biogenic DGAARM Cc1cc([O-])c(Cc2cc(Cl)c3cccnc3c2O)c(=O)o1 ZINC000004140129 181077799 /nfs/dbraw/zinc/07/77/99/181077799.db2.gz XFLYFPDILXHGSK-UHFFFAOYSA-N -1 0 317.728 3.152 50 0 DGAARM COc1ccccc1OCCn1cc(C(=O)[O-])c2ccccc21 ZINC000004412589 181108215 /nfs/dbraw/zinc/10/82/15/181108215.db2.gz IXHPFGOUKNXFHG-UHFFFAOYSA-N -1 0 311.337 3.427 50 0 DGAARM C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004600137 181128755 /nfs/dbraw/zinc/12/87/55/181128755.db2.gz JKMKFVJLYBZSHJ-BPUTZDHNSA-N -1 0 303.402 3.015 50 0 DGAARM COc1ccc(OC)c(NC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000004652318 181131939 /nfs/dbraw/zinc/13/19/39/181131939.db2.gz UGSOZRCXZPXJSU-UHFFFAOYSA-N -1 0 316.313 3.046 50 0 DGAARM Cc1ccc(C)c(NC(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC000004652348 181132163 /nfs/dbraw/zinc/13/21/63/181132163.db2.gz IAJPLBFFLIQOPW-UHFFFAOYSA-N -1 0 300.314 3.351 50 0 DGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1 ZINC000004698647 181138642 /nfs/dbraw/zinc/13/86/42/181138642.db2.gz BPGCNPVQRHTIAE-AWEZNQCLSA-N -1 0 317.341 3.014 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2ncccc2C)c(C)cc1Cl ZINC000004914100 181172248 /nfs/dbraw/zinc/17/22/48/181172248.db2.gz YYCFYQADOHNHNQ-UHFFFAOYSA-N -1 0 310.806 3.461 50 0 DGAARM O=C([O-])c1[nH]c2ccc(F)cc2c1NC(=O)NC1CCCCC1 ZINC000004981397 181183703 /nfs/dbraw/zinc/18/37/03/181183703.db2.gz GDLQJYWBJRZXSJ-UHFFFAOYSA-N -1 0 319.336 3.459 50 0 DGAARM O=C([O-])CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000005017769 181190953 /nfs/dbraw/zinc/19/09/53/181190953.db2.gz ARCPLVXZOVIARQ-UHFFFAOYSA-N -1 0 314.288 3.339 50 0 DGAARM CCOc1cc(OCC)c(/C=C/C(=O)[O-])cc1Br ZINC000005061542 181199151 /nfs/dbraw/zinc/19/91/51/181199151.db2.gz OGFFBKLVMGWPEQ-AATRIKPKSA-N -1 0 315.163 3.344 50 0 DGAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000005121341 181205508 /nfs/dbraw/zinc/20/55/08/181205508.db2.gz RFAZOCJZLBPYFU-UHFFFAOYSA-N -1 0 309.774 3.343 50 0 DGAARM O=C([O-])CCCNC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000414622978 304050082 /nfs/dbraw/zinc/05/00/82/304050082.db2.gz HCNRLKKLRDNIAB-INIZCTEOSA-N -1 0 318.417 3.048 50 0 DGAARM CC(C)C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005352842 181233824 /nfs/dbraw/zinc/23/38/24/181233824.db2.gz DBQIIQWWNCJPEG-MRXNPFEDSA-N -1 0 316.401 3.106 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C)c3nccs3)c12 ZINC000080307111 192023602 /nfs/dbraw/zinc/02/36/02/192023602.db2.gz XYWDHMKGXNMNEV-SSDOTTSWSA-N -1 0 320.399 3.328 50 0 DGAARM CC(=O)c1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000005836026 181288443 /nfs/dbraw/zinc/28/84/43/181288443.db2.gz XQHARRQEUPEIBB-UHFFFAOYSA-N -1 0 314.366 3.396 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000097039553 304063321 /nfs/dbraw/zinc/06/33/21/304063321.db2.gz ZUPCUVKGFQTZPK-CQSZACIVSA-N -1 0 323.820 3.376 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1 ZINC000013387990 304081954 /nfs/dbraw/zinc/08/19/54/304081954.db2.gz HHVLHRYPYALHDG-JTQLQIEISA-N -1 0 321.423 3.244 50 0 DGAARM Cc1ccccc1CCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237719630 202338392 /nfs/dbraw/zinc/33/83/92/202338392.db2.gz CSAIMFJNANWCIE-HNNXBMFYSA-N -1 0 303.402 3.031 50 0 DGAARM Cc1ccc(CCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000237691920 202329713 /nfs/dbraw/zinc/32/97/13/202329713.db2.gz PXVLQGKKGJLYOT-QGZVFWFLSA-N -1 0 317.429 3.421 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000237931759 202395898 /nfs/dbraw/zinc/39/58/98/202395898.db2.gz AASGPNVYTRGPSG-ARFHVFGLSA-N -1 0 319.376 3.175 50 0 DGAARM CCc1nc2c3ccccc3oc2c(N[C@@H](C(=O)[O-])C(C)C)n1 ZINC000006225945 181320980 /nfs/dbraw/zinc/32/09/80/181320980.db2.gz OMWQDYVEJGUUNB-CYBMUJFWSA-N -1 0 313.357 3.460 50 0 DGAARM CC1=C(C)C[C@H](C(=O)NCCCc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000006395160 181337345 /nfs/dbraw/zinc/33/73/45/181337345.db2.gz AAOHSDNOBNQFDT-IRXDYDNUSA-N -1 0 315.413 3.183 50 0 DGAARM O=C([O-])c1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000006557690 181355051 /nfs/dbraw/zinc/35/50/51/181355051.db2.gz XWJIHPRVLYIGQY-UHFFFAOYSA-N -1 0 311.366 3.462 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1cc(F)cc(F)c1 ZINC000006659110 181366799 /nfs/dbraw/zinc/36/67/99/181366799.db2.gz WZFBMTIWOZGMMR-UHFFFAOYSA-N -1 0 320.320 3.314 50 0 DGAARM Cc1ccsc1/C=C/c1nc(N)nc(-c2ccccc2[O-])n1 ZINC000006697081 181371676 /nfs/dbraw/zinc/37/16/76/181371676.db2.gz LYXVHWMMKGFVBV-VOTSOKGWSA-N -1 0 310.382 3.367 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000006707689 181375793 /nfs/dbraw/zinc/37/57/93/181375793.db2.gz RXUNGTIICOJFOR-UHFFFAOYSA-N -1 0 303.383 3.307 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nccc2ccccc21 ZINC000299743846 304147904 /nfs/dbraw/zinc/14/79/04/304147904.db2.gz PIOQMYFGRMKRHW-KBMXLJTQSA-N -1 0 324.380 3.093 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000262089609 203194862 /nfs/dbraw/zinc/19/48/62/203194862.db2.gz HTWJRDLBWLEFAU-UONOGXRCSA-N -1 0 301.367 3.002 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2cc[nH]c2c1 ZINC000261757468 304149539 /nfs/dbraw/zinc/14/95/39/304149539.db2.gz PNWSKQJSNJSDCH-WQVCFCJDSA-N -1 0 312.369 3.026 50 0 DGAARM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])s2)o1 ZINC000263453893 203469626 /nfs/dbraw/zinc/46/96/26/203469626.db2.gz OSFTUIADHGNIKS-JTQLQIEISA-N -1 0 305.355 3.006 50 0 DGAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1 ZINC000095970085 193467064 /nfs/dbraw/zinc/46/70/64/193467064.db2.gz AEJKAZXKFSWLPU-UHFFFAOYSA-N -1 0 319.307 3.082 50 0 DGAARM COCCC[C@@H]1CCCN(c2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC000096152640 193553783 /nfs/dbraw/zinc/55/37/83/193553783.db2.gz XKKZGMSSJPHTCB-NSHDSACASA-N -1 0 312.797 3.076 50 0 DGAARM O=C([O-])c1cc(/C=C\c2csnn2)nc2cc(F)ccc21 ZINC000096295920 193610456 /nfs/dbraw/zinc/61/04/56/193610456.db2.gz JWHVZZFMLAUBFP-IHWYPQMZSA-N -1 0 301.302 3.094 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1ccccc1 ZINC000045922934 304162605 /nfs/dbraw/zinc/16/26/05/304162605.db2.gz MCJOJEWCHGIGNR-IAGOWNOFSA-N -1 0 307.349 3.214 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C1CCCCCC1 ZINC000261962538 304162421 /nfs/dbraw/zinc/16/24/21/304162421.db2.gz OXMKAOSZGWSJQK-INIZCTEOSA-N -1 0 301.386 3.167 50 0 DGAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)NCc1cccs1 ZINC000012978315 181817736 /nfs/dbraw/zinc/81/77/36/181817736.db2.gz XLSMEOORFIJBKG-SNVBAGLBSA-N -1 0 321.423 3.243 50 0 DGAARM O=C([O-])C1(CC(=O)Nc2ccc3c[nH]nc3c2)CCCCCC1 ZINC000013253601 181839487 /nfs/dbraw/zinc/83/94/87/181839487.db2.gz BOYWCKPZRLCOIG-UHFFFAOYSA-N -1 0 315.373 3.317 50 0 DGAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 ZINC000016129656 182034975 /nfs/dbraw/zinc/03/49/75/182034975.db2.gz AGTXSWSTZJCPAS-UHFFFAOYSA-N -1 0 305.252 3.044 50 0 DGAARM C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)[O-] ZINC000000248676 296208231 /nfs/dbraw/zinc/20/82/31/296208231.db2.gz UDRXBMZEWXEFGZ-MRVPVSSYSA-N -1 0 322.744 3.177 50 0 DGAARM CCOc1ccc(-c2csc3c2[n-]cnc3=O)cc1OCC ZINC000021658112 182282735 /nfs/dbraw/zinc/28/27/35/182282735.db2.gz HAOFXWGCLOKWSD-UHFFFAOYSA-N -1 0 316.382 3.449 50 0 DGAARM COc1cccc(Nc2cc(C(=O)[O-])nc3ccc(C)cc32)c1 ZINC000021657785 182282821 /nfs/dbraw/zinc/28/28/21/182282821.db2.gz DCURGPIICIOWKW-UHFFFAOYSA-N -1 0 308.337 3.416 50 0 DGAARM O=C([O-])CC1(CC(=O)Nc2nnc(C3CC3)s2)CCCCC1 ZINC000032906055 182676980 /nfs/dbraw/zinc/67/69/80/182676980.db2.gz CBVNHTNYDKWGHY-UHFFFAOYSA-N -1 0 323.418 3.169 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC000035135252 182756009 /nfs/dbraw/zinc/75/60/09/182756009.db2.gz JMTNMARHLIFJJE-UHTWSYAYSA-N -1 0 307.777 3.184 50 0 DGAARM COc1ccc([C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000041529003 183197859 /nfs/dbraw/zinc/19/78/59/183197859.db2.gz LUHJUDQOUWKJSU-AWEZNQCLSA-N -1 0 304.317 3.450 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3nc(C)oc32)s1 ZINC000041347531 183186564 /nfs/dbraw/zinc/18/65/64/183186564.db2.gz MIFUWWSKPLJUCF-UHFFFAOYSA-N -1 0 308.384 3.307 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000050921378 183807983 /nfs/dbraw/zinc/80/79/83/183807983.db2.gz FQUOQZKJTPDKDN-LLVKDONJSA-N -1 0 313.756 3.339 50 0 DGAARM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)c2ccccc2)c1 ZINC000064820604 184303999 /nfs/dbraw/zinc/30/39/99/184303999.db2.gz CYAWRLDGDZOYEX-UHFFFAOYSA-N -1 0 310.353 3.237 50 0 DGAARM CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2)c2cccnc21 ZINC000065242143 184317813 /nfs/dbraw/zinc/31/78/13/184317813.db2.gz LGNKDBIJYOBZRW-UHFFFAOYSA-N -1 0 315.398 3.165 50 0 DGAARM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)C1CCOCC1 ZINC000157615222 197201481 /nfs/dbraw/zinc/20/14/81/197201481.db2.gz GICZSMVMUIPKHN-SECBINFHSA-N -1 0 306.387 3.118 50 0 DGAARM O=C([O-])c1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000238131005 256600355 /nfs/dbraw/zinc/60/03/55/256600355.db2.gz ADCKZSWWYWWWKZ-NEPJUHHUSA-N -1 0 315.291 3.236 50 0 DGAARM O=C([O-])c1ccccc1C(=O)N1CCS[C@@H]1c1ccccc1 ZINC000003683710 257211359 /nfs/dbraw/zinc/21/13/59/257211359.db2.gz WRSHJIRVPWLJSZ-MRXNPFEDSA-N -1 0 313.378 3.273 50 0 DGAARM Cc1ccc(C[C@@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000004241391 257215249 /nfs/dbraw/zinc/21/52/49/257215249.db2.gz OMVHMNVKZQEBAU-CABCVRRESA-N -1 0 319.401 3.248 50 0 DGAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N(C)Cc1ccccn1 ZINC000095378020 257271972 /nfs/dbraw/zinc/27/19/72/257271972.db2.gz VTDHUUYMLLPAIN-OAHLLOKOSA-N -1 0 320.776 3.001 50 0 DGAARM CC1(C)[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)[C@H]2CCO[C@@H]21 ZINC000073937575 184943572 /nfs/dbraw/zinc/94/35/72/184943572.db2.gz GSSUGLUMUQSOSM-WQAKAFBOSA-N -1 0 318.398 3.034 50 0 DGAARM COCCC1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCCC1 ZINC000126620864 195846342 /nfs/dbraw/zinc/84/63/42/195846342.db2.gz IVEUYNUOJKYFNH-UHFFFAOYSA-N -1 0 320.414 3.196 50 0 DGAARM CCOC(=O)c1sc2c(ccc(Br)c2[O-])c1N ZINC000019925130 400188383 /nfs/dbraw/zinc/18/83/83/400188383.db2.gz BTUMVUSSXJURNO-UHFFFAOYSA-N -1 0 316.176 3.128 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000022112745 400198059 /nfs/dbraw/zinc/19/80/59/400198059.db2.gz FGKFRJIBXJOTLF-JTQLQIEISA-N -1 0 303.717 3.130 50 0 DGAARM CCn1nc(C)c(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c1C ZINC000606443812 400913253 /nfs/dbraw/zinc/91/32/53/400913253.db2.gz JTHBEGSLUQHAKY-NGWHPUCNSA-N -1 0 303.387 3.245 50 0 DGAARM C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccs1 ZINC000621557325 401252405 /nfs/dbraw/zinc/25/24/05/401252405.db2.gz DLMQUWBTXFICSG-SNVBAGLBSA-N -1 0 301.367 3.092 50 0 DGAARM COCc1csc(CN=c2[n-]nc(-c3cc(C)cs3)o2)c1 ZINC000622003322 401334679 /nfs/dbraw/zinc/33/46/79/401334679.db2.gz VSNDVWIPGPQGRT-UHFFFAOYSA-N -1 0 321.427 3.348 50 0 DGAARM Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000129341873 196040642 /nfs/dbraw/zinc/04/06/42/196040642.db2.gz MHFPPCKEUBDPEG-AWEZNQCLSA-N -1 0 303.745 3.204 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000131928876 196210646 /nfs/dbraw/zinc/21/06/46/196210646.db2.gz ALCIODXRDUQMQR-VIFPVBQESA-N -1 0 307.758 3.230 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC000178296899 228339116 /nfs/dbraw/zinc/33/91/16/228339116.db2.gz FNFRERVFEJNDOG-LLVKDONJSA-N -1 0 319.719 3.308 50 0 DGAARM Cc1nc([N-]S(=O)(=O)c2cccc3cccnc32)sc1C ZINC000095962208 426378384 /nfs/dbraw/zinc/37/83/84/426378384.db2.gz SAXPEVSSVNQFOJ-UHFFFAOYSA-N -1 0 319.411 3.109 50 0 DGAARM CC(=O)Nc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000098056262 278189931 /nfs/dbraw/zinc/18/99/31/278189931.db2.gz RLKSUZUARWHMES-FBFSCSHHSA-N -1 0 314.366 3.370 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000002577348 278394507 /nfs/dbraw/zinc/39/45/07/278394507.db2.gz KRTMMQOFFHMEON-AWEZNQCLSA-N -1 0 305.374 3.499 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(CCc1ccccc1)C(=O)[O-] ZINC000004241024 278396528 /nfs/dbraw/zinc/39/65/28/278396528.db2.gz URLLHYVBNNPLET-SFHVURJKSA-N -1 0 319.401 3.474 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]1C(=O)[O-] ZINC000205360940 278405395 /nfs/dbraw/zinc/40/53/95/278405395.db2.gz AJISPVUUZAWPBP-STQMWFEESA-N -1 0 309.337 3.003 50 0 DGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000000081693 431121830 /nfs/dbraw/zinc/12/18/30/431121830.db2.gz WDKOPEMHCDMRRB-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000000093789 431122999 /nfs/dbraw/zinc/12/29/99/431122999.db2.gz ISHUJTCCBMWDIQ-UHFFFAOYSA-N -1 0 316.304 3.088 50 0 DGAARM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000144472 431134285 /nfs/dbraw/zinc/13/42/85/431134285.db2.gz LVTJEOZORQRCOE-CABCVRRESA-N -1 0 305.374 3.303 50 0 DGAARM O=C([O-])c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000000125838 431131055 /nfs/dbraw/zinc/13/10/55/431131055.db2.gz WWVSDQYFRSUJAZ-UHFFFAOYSA-N -1 0 318.376 3.491 50 0 DGAARM Cc1sc2ncn([C@H](C)C(=O)[O-])c(=O)c2c1-c1ccccc1 ZINC000000145965 431133040 /nfs/dbraw/zinc/13/30/40/431133040.db2.gz FKCUETDTVPYQKU-SECBINFHSA-N -1 0 314.366 3.079 50 0 DGAARM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000144468 431133250 /nfs/dbraw/zinc/13/32/50/431133250.db2.gz LVTJEOZORQRCOE-HUUCEWRRSA-N -1 0 305.374 3.303 50 0 DGAARM CC(C)C[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)[O-] ZINC000012940849 279191174 /nfs/dbraw/zinc/19/11/74/279191174.db2.gz KGRYLNMZCAFGKT-MFKMUULPSA-N -1 0 309.431 3.102 50 0 DGAARM Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000000172994 431140105 /nfs/dbraw/zinc/14/01/05/431140105.db2.gz IXHSGZNTCIERPZ-UHFFFAOYSA-N -1 0 301.367 3.496 50 0 DGAARM [O-]C1=C[C@](O)(C(F)(F)C(F)(F)F)Oc2ccc(Cl)cc21 ZINC000000307342 431162380 /nfs/dbraw/zinc/16/23/80/431162380.db2.gz RAGNJUVFRICLPK-SECBINFHSA-N -1 0 316.609 3.191 50 0 DGAARM CCc1cc2c(nc(C)nc2N[C@H](CC(C)C)C(=O)[O-])s1 ZINC000000572977 431201148 /nfs/dbraw/zinc/20/11/48/431201148.db2.gz LQXRZPGAQONRGK-GFCCVEGCSA-N -1 0 307.419 3.473 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000000382813 431173915 /nfs/dbraw/zinc/17/39/15/431173915.db2.gz YEPIATXGQMZVLR-UHFFFAOYSA-N -1 0 315.398 3.289 50 0 DGAARM O=C([O-])c1ccc(NCn2c3ccccc3oc2=S)cc1O ZINC000000409856 431177648 /nfs/dbraw/zinc/17/76/48/431177648.db2.gz JREMVCYMBRMSEK-UHFFFAOYSA-N -1 0 316.338 3.437 50 0 DGAARM Cc1ccccc1OCc1nn2c([nH]1)c1ccccc1nc2=S ZINC000000424902 431180046 /nfs/dbraw/zinc/18/00/46/431180046.db2.gz VGJDTYQSKRPDTF-UHFFFAOYSA-N -1 0 322.393 3.454 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1c(Cl)cccc1Cl ZINC000000465516 431188369 /nfs/dbraw/zinc/18/83/69/431188369.db2.gz MNTNSXGAJQLXPT-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM O=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000000470279 431189002 /nfs/dbraw/zinc/18/90/02/431189002.db2.gz ZNPLATXSNFHJOE-UHFFFAOYSA-N -1 0 305.783 3.019 50 0 DGAARM Cc1ccc(C(=O)c2coc3ccc(OCC(=O)[O-])cc23)cc1 ZINC000000210169 431148076 /nfs/dbraw/zinc/14/80/76/431148076.db2.gz LJKJPOGCAPVQOX-UHFFFAOYSA-N -1 0 310.305 3.436 50 0 DGAARM Cc1cc(C)cc(Nc2nnc(S[C@H](C)C(=O)[O-])s2)c1 ZINC000002617009 431257805 /nfs/dbraw/zinc/25/78/05/431257805.db2.gz PLLZVLJAYWWDSC-SECBINFHSA-N -1 0 309.416 3.464 50 0 DGAARM CCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000609520 431204610 /nfs/dbraw/zinc/20/46/10/431204610.db2.gz ATQBJVBSUUOOLT-UHFFFAOYSA-N -1 0 300.314 3.428 50 0 DGAARM CCc1nnc(NC(=O)c2c(C)onc2-c2ccccc2)s1 ZINC000000811575 431208186 /nfs/dbraw/zinc/20/81/86/431208186.db2.gz OQTVBJCGVGXHFN-UHFFFAOYSA-N -1 0 314.370 3.316 50 0 DGAARM CCc1ccc2oc(-c3ccccc3)c(OCC(=O)[O-])c(=O)c2c1 ZINC000001987537 431242689 /nfs/dbraw/zinc/24/26/89/431242689.db2.gz OXOKOJSRGHHKHL-UHFFFAOYSA-N -1 0 324.332 3.486 50 0 DGAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000002501812 431254734 /nfs/dbraw/zinc/25/47/34/431254734.db2.gz CRDWYIKYCUCPDM-UHFFFAOYSA-N -1 0 306.387 3.061 50 0 DGAARM O=C([O-])[C@H]1CS[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000002499709 431256134 /nfs/dbraw/zinc/25/61/34/431256134.db2.gz CLZYGVBASLYBCE-HUUCEWRRSA-N -1 0 301.367 3.267 50 0 DGAARM CCCCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000002983338 431279531 /nfs/dbraw/zinc/27/95/31/431279531.db2.gz IUDXQIDQHRQBLF-UHFFFAOYSA-N -1 0 300.152 3.276 50 0 DGAARM CCn1c2nc(-c3ccccc3F)[nH]c(=O)c2sc1=S ZINC000004625030 431300646 /nfs/dbraw/zinc/30/06/46/431300646.db2.gz RKFSKYQLCDIITD-UHFFFAOYSA-N -1 0 307.375 3.342 50 0 DGAARM CCCCOc1ccc(-c2nc(SCCC(=O)[O-])n[nH]2)cc1 ZINC000006359660 431314530 /nfs/dbraw/zinc/31/45/30/431314530.db2.gz VCSONAMZXWSAHZ-UHFFFAOYSA-N -1 0 321.402 3.217 50 0 DGAARM O=C([O-])CCCCCNC(=O)Cn1ccc2cc(Cl)ccc21 ZINC000071280030 431274949 /nfs/dbraw/zinc/27/49/49/431274949.db2.gz CSYBAHMGVDLXEO-UHFFFAOYSA-N -1 0 322.792 3.056 50 0 DGAARM CC(C)c1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000002884899 431274985 /nfs/dbraw/zinc/27/49/85/431274985.db2.gz XHUAAHOOLFWBLC-QGZVFWFLSA-N -1 0 311.381 3.236 50 0 DGAARM CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000007886469 431369443 /nfs/dbraw/zinc/36/94/43/431369443.db2.gz DFKJCWOOWHOCMW-MRXNPFEDSA-N -1 0 310.353 3.361 50 0 DGAARM Cc1ccc2nc(Nc3ccc(C(=O)[O-])cc3)c3nncn3c2c1 ZINC000006802995 431321441 /nfs/dbraw/zinc/32/14/41/431321441.db2.gz YJDMWFDFHXAJJO-UHFFFAOYSA-N -1 0 319.324 3.028 50 0 DGAARM Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074347858 431416682 /nfs/dbraw/zinc/41/66/82/431416682.db2.gz FKTGHASRNUGPCR-MRVPVSSYSA-N -1 0 316.386 3.023 50 0 DGAARM COc1ccc(C(=O)[O-])cc1NCc1cccc(OC)c1OC ZINC000009096545 431421647 /nfs/dbraw/zinc/42/16/47/431421647.db2.gz NKXOQDTYGVQQLM-UHFFFAOYSA-N -1 0 317.341 3.023 50 0 DGAARM CCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000009061860 431421851 /nfs/dbraw/zinc/42/18/51/431421851.db2.gz RPYVUVNCBJGCJG-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C(=O)[O-] ZINC000008747600 431410836 /nfs/dbraw/zinc/41/08/36/431410836.db2.gz NLTJQGZUODFORK-MRXNPFEDSA-N -1 0 310.353 3.361 50 0 DGAARM CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1C(=O)[O-] ZINC000008747601 431411438 /nfs/dbraw/zinc/41/14/38/431411438.db2.gz NLTJQGZUODFORK-INIZCTEOSA-N -1 0 310.353 3.361 50 0 DGAARM O=S(=O)(C=C([O-])c1cc2ccccc2o1)c1ccccc1 ZINC000009614867 431440120 /nfs/dbraw/zinc/44/01/20/431440120.db2.gz OHCULCBYAYIHIE-UHFFFAOYSA-N -1 0 300.335 3.089 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000010301894 431461123 /nfs/dbraw/zinc/46/11/23/431461123.db2.gz GFGWRRZOQBTVDH-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM COc1cccc(-c2nnc(NC(=O)c3ccco3)s2)c1 ZINC000009289709 431427343 /nfs/dbraw/zinc/42/73/43/431427343.db2.gz YOZFGLKKWRCSRB-UHFFFAOYSA-N -1 0 301.327 3.059 50 0 DGAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c(C)c1 ZINC000009329701 431431244 /nfs/dbraw/zinc/43/12/44/431431244.db2.gz KNCOVCDGLKVVGL-UHFFFAOYSA-N -1 0 308.337 3.103 50 0 DGAARM CCCc1nc(Nc2ccccc2)[n-]c(=O)c1Br ZINC000011904228 431483913 /nfs/dbraw/zinc/48/39/13/431483913.db2.gz XRJKLQYJFUVDKW-UHFFFAOYSA-N -1 0 308.179 3.229 50 0 DGAARM O=C([O-])c1ccccc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000011944977 431488842 /nfs/dbraw/zinc/48/88/42/431488842.db2.gz DBAOINFLAUOXRI-UHFFFAOYSA-N -1 0 310.758 3.012 50 0 DGAARM CCc1ccccc1NC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000012414618 431507279 /nfs/dbraw/zinc/50/72/79/431507279.db2.gz ZVQADBFLWZQTBK-UHFFFAOYSA-N -1 0 308.337 3.048 50 0 DGAARM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000012526371 431513367 /nfs/dbraw/zinc/51/33/67/431513367.db2.gz LEOYDLRWZWQTDR-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2s1 ZINC000013249539 431552448 /nfs/dbraw/zinc/55/24/48/431552448.db2.gz WYPPNVQEWMDKRP-NEPJUHHUSA-N -1 0 316.382 3.210 50 0 DGAARM Cc1oc(CSc2nnc(C3CC3)n2C2CC2)cc1C(=O)[O-] ZINC000014086801 431577022 /nfs/dbraw/zinc/57/70/22/431577022.db2.gz LZOWOOZCVROIBG-UHFFFAOYSA-N -1 0 319.386 3.382 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2cccnc2Cl)[C@@H](C(=O)[O-])C1 ZINC000017031878 431614974 /nfs/dbraw/zinc/61/49/74/431614974.db2.gz GBOYBBCZCXOILB-QWRGUYRKSA-N -1 0 308.765 3.121 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000078394318 431663357 /nfs/dbraw/zinc/66/33/57/431663357.db2.gz PFXVATPQOQVDFV-UHFFFAOYSA-N -1 0 307.158 3.091 50 0 DGAARM CC(C)(C)c1ccc2oc(N3CCC(C(=O)[O-])CC3)nc2c1 ZINC000034924859 431820850 /nfs/dbraw/zinc/82/08/50/431820850.db2.gz BFYORZUNZNWESZ-UHFFFAOYSA-N -1 0 302.374 3.426 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC000035135254 431826730 /nfs/dbraw/zinc/82/67/30/431826730.db2.gz JMTNMARHLIFJJE-DRZSPHRISA-N -1 0 307.777 3.184 50 0 DGAARM Cc1ccc(C[C@H](CC(=O)NC2CCCCC2)C(=O)[O-])cc1 ZINC000035141879 431826736 /nfs/dbraw/zinc/82/67/36/431826736.db2.gz UJRVYOJSKPTIKX-OAHLLOKOSA-N -1 0 303.402 3.077 50 0 DGAARM Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095368185 431922784 /nfs/dbraw/zinc/92/27/84/431922784.db2.gz JDMNBKDSBAIATO-OAHLLOKOSA-N -1 0 312.369 3.041 50 0 DGAARM CCCSCC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095383156 431924146 /nfs/dbraw/zinc/92/41/46/431924146.db2.gz UEBZVNZBTJPTTO-HNNXBMFYSA-N -1 0 321.442 3.234 50 0 DGAARM COc1ccc(Cn2c3ccccc3c(C=O)c2C(=O)[O-])cc1 ZINC000045795963 431890409 /nfs/dbraw/zinc/89/04/09/431890409.db2.gz LNYFAFOLKOTKTB-UHFFFAOYSA-N -1 0 309.321 3.209 50 0 DGAARM O=C([O-])c1ccc(/C=C\c2cnc(-c3cccnc3)s2)nc1 ZINC000098053052 431977171 /nfs/dbraw/zinc/97/71/71/431977171.db2.gz QLEWHRQMYXHDFW-WAYWQWQTSA-N -1 0 309.350 3.469 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000095961563 431928455 /nfs/dbraw/zinc/92/84/55/431928455.db2.gz JZGDNWFTMGWTLJ-OAHLLOKOSA-N -1 0 308.337 3.114 50 0 DGAARM CCN(C(=O)CCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000095991805 431932503 /nfs/dbraw/zinc/93/25/03/431932503.db2.gz SLTDLPUJSZKUEA-UHFFFAOYSA-N -1 0 303.402 3.499 50 0 DGAARM C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000095992022 431932605 /nfs/dbraw/zinc/93/26/05/431932605.db2.gz BQKLDWXFWPZGCL-OLZOCXBDSA-N -1 0 309.431 3.030 50 0 DGAARM C[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1cc2ccccc2o1 ZINC000097036059 431957005 /nfs/dbraw/zinc/95/70/05/431957005.db2.gz CZSNDRHADIPNGR-JTQLQIEISA-N -1 0 313.309 3.144 50 0 DGAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc2cc[nH]c21 ZINC000097036530 431957061 /nfs/dbraw/zinc/95/70/61/431957061.db2.gz RKBHELFQZGGJMW-MRXNPFEDSA-N -1 0 322.364 3.422 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C/C1CC1)c1ccc(Cl)c(F)c1 ZINC000097231172 431966154 /nfs/dbraw/zinc/96/61/54/431966154.db2.gz UFIXDGWROLAAAU-VUUYWXRKSA-N -1 0 311.740 3.077 50 0 DGAARM O=C([O-])c1cc(I)c(Cl)cc1Cl ZINC000098209753 431980711 /nfs/dbraw/zinc/98/07/11/431980711.db2.gz RVEQDEIBFPXXBJ-UHFFFAOYSA-N -1 0 316.909 3.296 50 0 DGAARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccncc2)C1 ZINC000102749346 431998218 /nfs/dbraw/zinc/99/82/18/431998218.db2.gz SUIPXEQXMNSTLD-ZDUSSCGKSA-N -1 0 311.345 3.336 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000252487461 432377588 /nfs/dbraw/zinc/37/75/88/432377588.db2.gz YGSJUJLXTXHZGE-RCBQFDQVSA-N -1 0 319.376 3.033 50 0 DGAARM O=C([O-])c1cc2cc(NC(=O)C[C@@H]3CCCCO3)ccc2s1 ZINC000192874540 432424247 /nfs/dbraw/zinc/42/42/47/432424247.db2.gz BNSQHJBYUXFVPQ-LBPRGKRZSA-N -1 0 319.382 3.497 50 0 DGAARM CCc1csc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000263042201 432515151 /nfs/dbraw/zinc/51/51/51/432515151.db2.gz MDNZMFIROFKOOL-UHFFFAOYSA-N -1 0 319.386 3.367 50 0 DGAARM COC(=O)C[C@@H](CC(C)C)c1c([O-])c2ccccc2oc1=O ZINC000217715550 432656189 /nfs/dbraw/zinc/65/61/89/432656189.db2.gz NVVMINTWMKUVRS-LLVKDONJSA-N -1 0 304.342 3.191 50 0 biogenic DGAARM O=C([O-])c1cccc(CCNC(=O)c2cccc(F)c2Cl)c1 ZINC000225486538 432692706 /nfs/dbraw/zinc/69/27/06/432692706.db2.gz YCRQFEUKJAMYCN-UHFFFAOYSA-N -1 0 321.735 3.150 50 0 DGAARM Cc1ncccc1NC(=O)C[C@@H](CC(=O)[O-])c1cccs1 ZINC000223128149 432675101 /nfs/dbraw/zinc/67/51/01/432675101.db2.gz BOWVYBORJVZNNN-NSHDSACASA-N -1 0 304.371 3.039 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2sccc2Cl)C1 ZINC000162890437 432837302 /nfs/dbraw/zinc/83/73/02/432837302.db2.gz LZWKOJVDUIECLH-VIFPVBQESA-N -1 0 301.795 3.119 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)nc1 ZINC000237976872 432806670 /nfs/dbraw/zinc/80/66/70/432806670.db2.gz HOBSJMVEUOFQBS-MRXNPFEDSA-N -1 0 324.380 3.017 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000237978894 432806702 /nfs/dbraw/zinc/80/67/02/432806702.db2.gz NYRDBIRALVBZCR-QDLOVBKTSA-N -1 0 319.376 3.475 50 0 DGAARM Cc1cccnc1CNC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000408512839 434580396 /nfs/dbraw/zinc/58/03/96/434580396.db2.gz RDTSRYYHZQXAOV-UHFFFAOYSA-N -1 0 311.168 3.332 50 0 DGAARM C[C@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC000004614629 300433885 /nfs/dbraw/zinc/43/38/85/300433885.db2.gz BRLOPWYLXBHZKT-QAIIKZMUSA-N -1 0 307.434 3.064 50 0 DGAARM Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)[O-] ZINC000009846849 300892878 /nfs/dbraw/zinc/89/28/78/300892878.db2.gz QKYZPTYJVJRMRM-SFHVURJKSA-N -1 0 320.348 3.106 50 0 DGAARM Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000653333096 436163484 /nfs/dbraw/zinc/16/34/84/436163484.db2.gz KYQKETDSVUBCGG-HUUCEWRRSA-N -1 0 315.394 3.408 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000000126961 301200699 /nfs/dbraw/zinc/20/06/99/301200699.db2.gz MCZDFCRYKVPBEZ-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1cc([O-])c(SC(F)(F)[C@H](F)C(F)(F)F)c(=O)o1 ZINC000005722047 301369719 /nfs/dbraw/zinc/36/97/19/301369719.db2.gz QCYHTXABVWADTN-SSDOTTSWSA-N -1 0 308.199 3.239 50 0 DGAARM O=S(=O)([N-]c1nncs1)c1ccccc1-c1ccccc1 ZINC000095439257 304767977 /nfs/dbraw/zinc/76/79/77/304767977.db2.gz AOOYUDREDYRHGC-UHFFFAOYSA-N -1 0 317.395 3.006 50 0 DGAARM Cc1cnc(NC(=O)C[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000226750843 302356477 /nfs/dbraw/zinc/35/64/77/302356477.db2.gz NLQDJOJLKBRFLC-NSHDSACASA-N -1 0 322.361 3.178 50 0 DGAARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000038103974 302730846 /nfs/dbraw/zinc/73/08/46/302730846.db2.gz MYOOANOGUNCTFV-UHFFFAOYSA-N -1 0 311.382 3.021 50 0 DGAARM O=c1c(-c2cnn(-c3ccccc3)c2)coc2cc([O-])ccc12 ZINC000006557741 304815342 /nfs/dbraw/zinc/81/53/42/304815342.db2.gz SNBGJFLBMNUDEU-UHFFFAOYSA-N -1 0 304.305 3.351 50 0 DGAARM Cn1cc(/C=C/c2cc(C(=O)[O-])ncn2)c(C2CCCCC2)n1 ZINC000544046553 314170008 /nfs/dbraw/zinc/17/00/08/314170008.db2.gz QYFYFSXYDHQAAP-BQYQJAHWSA-N -1 0 312.373 3.126 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000565249679 315246809 /nfs/dbraw/zinc/24/68/09/315246809.db2.gz FPNDFCXQEABXAA-KRWDZBQOSA-N -1 0 309.365 3.405 50 0 DGAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC000195551748 323492181 /nfs/dbraw/zinc/49/21/81/323492181.db2.gz NFSWXVLRVCPEAF-QMMMGPOBSA-N -1 0 322.386 3.223 50 0 DGAARM C[C@@H](CN(C(=O)c1cc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000195551955 323492587 /nfs/dbraw/zinc/49/25/87/323492587.db2.gz WIMYDLNHZZJNRU-JTQLQIEISA-N -1 0 303.383 3.227 50 0 DGAARM O=C([O-])c1cncc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000580785104 324038821 /nfs/dbraw/zinc/03/88/21/324038821.db2.gz ODTRKWRBCMICEC-CQSZACIVSA-N -1 0 317.316 3.144 50 0 DGAARM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)nc1 ZINC000580962276 324058836 /nfs/dbraw/zinc/05/88/36/324058836.db2.gz COVVTXSCJBCWNS-ZDUSSCGKSA-N -1 0 317.316 3.144 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000299745670 534222010 /nfs/dbraw/zinc/22/20/10/534222010.db2.gz RSRYCWKOJPOUCA-MGPQQGTHSA-N -1 0 321.442 3.263 50 0 DGAARM CCCN(Cc1ccccc1C)C(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000426425521 528147047 /nfs/dbraw/zinc/14/70/47/528147047.db2.gz WWJDIWCENUERNU-INIZCTEOSA-N -1 0 320.433 3.416 50 0 DGAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCO[C@@H]2CCC[C@@H]21 ZINC000073768527 545717226 /nfs/dbraw/zinc/71/72/26/545717226.db2.gz RIUAYJHJTFINDY-QWHCGFSZSA-N -1 0 318.398 3.274 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000092844437 545851521 /nfs/dbraw/zinc/85/15/21/545851521.db2.gz TZVCTNHRVWCITN-IVZWLZJFSA-N -1 0 313.806 3.246 50 0 DGAARM CSc1ccc(NC(=O)N(C)CCC(=O)[O-])cc1Cl ZINC000263029331 546341286 /nfs/dbraw/zinc/34/12/86/546341286.db2.gz KHZFVFZGRLNNBJ-UHFFFAOYSA-N -1 0 302.783 3.000 50 0 DGAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccsc2Cl)C1 ZINC000668282463 547434979 /nfs/dbraw/zinc/43/49/79/547434979.db2.gz SYTGVDVAEMNRDK-SECBINFHSA-N -1 0 315.822 3.365 50 0 DGAARM Cc1ccsc1[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000002511989 629734065 /nfs/dbraw/zinc/73/40/65/629734065.db2.gz UEFZORVRDCZIAR-ZDUSSCGKSA-N -1 0 319.382 3.499 50 0 DGAARM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000095970398 657496126 /nfs/dbraw/zinc/49/61/26/657496126.db2.gz XCPPWAJVYGIIFP-ZKXNXJMVSA-N -1 0 314.341 3.131 50 0 DGAARM OC(=C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1O ZINC000016133937 657765553 /nfs/dbraw/zinc/76/55/53/657765553.db2.gz CSZXSEXMWHMNSJ-OAHLLOKOSA-N -1 0 310.271 3.415 50 0 DGAARM Cc1ccc([C@@H](NC(=O)CCc2cccs2)C(=O)[O-])cc1C ZINC000262996132 658087779 /nfs/dbraw/zinc/08/77/79/658087779.db2.gz OMKSQQWHBMMPSN-MRXNPFEDSA-N -1 0 317.410 3.240 50 0 DGAARM Cc1cc([C@@H](NC(=O)CC2=CCCCC2)C(=O)[O-])ccc1F ZINC000263110731 658140865 /nfs/dbraw/zinc/14/08/65/658140865.db2.gz RQLKWTJJEAWVPH-MRXNPFEDSA-N -1 0 305.349 3.267 50 0 DGAARM Cc1ncc(-c2c(-c3ccccc3)ncn2[C@H](C)CC(=O)[O-])cn1 ZINC000091625330 662311889 /nfs/dbraw/zinc/31/18/89/662311889.db2.gz LTYINFXVXXVSDG-GFCCVEGCSA-N -1 0 322.368 3.351 50 0 DGAARM CCn1c(N[C@H](C)C2=CCCCC2)nc2cc(C(=O)[O-])cnc21 ZINC001506405249 1186223193 /nfs/dbraw/zinc/22/31/93/1186223193.db2.gz JEZRKGXCJDMKDV-LLVKDONJSA-N -1 0 314.389 3.450 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000316598701 231151159 /nfs/dbraw/zinc/15/11/59/231151159.db2.gz GZKLVAFJIQUUAF-AWEZNQCLSA-N -1 0 315.394 3.183 50 0 DGAARM O=C([O-])c1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)oc2c1 ZINC000328598178 231237432 /nfs/dbraw/zinc/23/74/32/231237432.db2.gz KUHVVYMCDNNRKO-QHHAFSJGSA-N -1 0 323.304 3.468 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1ccsc1 ZINC000225443128 201709546 /nfs/dbraw/zinc/70/95/46/201709546.db2.gz GRXCVOWWRSDIIF-UHFFFAOYSA-N -1 0 303.383 3.038 50 0 DGAARM Cc1cccc(C)c1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006742445 190623292 /nfs/dbraw/zinc/62/32/92/190623292.db2.gz MUQZTVYAHZKJSC-NEXFUWMNSA-N -1 0 301.386 3.379 50 0 DGAARM Cc1oc(CN(C)C(=O)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000097018413 185397786 /nfs/dbraw/zinc/39/77/86/185397786.db2.gz SXBNRBNGIUJWIX-UHFFFAOYSA-N -1 0 321.760 3.141 50 0 DGAARM CC(C)C(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064588884 432009513 /nfs/dbraw/zinc/00/95/13/432009513.db2.gz JOOKSUSZEJVBPO-LBPRGKRZSA-N -1 0 304.390 3.216 50 0 DGAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)o1 ZINC000064958648 432009780 /nfs/dbraw/zinc/00/97/80/432009780.db2.gz XVLYCPQTVADPAR-UHFFFAOYSA-N -1 0 318.354 3.298 50 0 DGAARM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237451823 295724970 /nfs/dbraw/zinc/72/49/70/295724970.db2.gz SQHNLVKMBPSYPG-DOMZBBRYSA-N -1 0 307.365 3.175 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cc(C)cc(C)c1 ZINC000064983776 190706916 /nfs/dbraw/zinc/70/69/16/190706916.db2.gz PGTPYVYEWMXVMS-UHFFFAOYSA-N -1 0 314.385 3.313 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccnc2c(F)cccc12 ZINC000071284294 190952319 /nfs/dbraw/zinc/95/23/19/190952319.db2.gz DZCUQCLLOKKIHW-UHFFFAOYSA-N -1 0 324.311 3.253 50 0 DGAARM CC(C)C(=O)N1CCC[C@](CCCc2ccccc2)(C(=O)[O-])C1 ZINC000071767717 191028632 /nfs/dbraw/zinc/02/86/32/191028632.db2.gz HDYAXXUAMUMMRT-IBGZPJMESA-N -1 0 317.429 3.359 50 0 DGAARM COc1ccc(OC)c2c(S[C@@H](C)C(=O)[O-])cc(C)nc12 ZINC000072245358 191087347 /nfs/dbraw/zinc/08/73/47/191087347.db2.gz LEFDGFKZUJAJSD-VIFPVBQESA-N -1 0 307.371 3.126 50 0 DGAARM CSCC[C@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000002423681 180923365 /nfs/dbraw/zinc/92/33/65/180923365.db2.gz CZDNGHJADNZLKG-ZDUSSCGKSA-N -1 0 310.419 3.138 50 0 DGAARM COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)[O-])c3n2)cc1 ZINC000002597282 180938364 /nfs/dbraw/zinc/93/83/64/180938364.db2.gz QRXKEAHHMMHRBP-UHFFFAOYSA-N -1 0 319.267 3.041 50 0 DGAARM COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)[O-] ZINC000003407153 181015967 /nfs/dbraw/zinc/01/59/67/181015967.db2.gz VNWXVSPXKCCXQN-UHFFFAOYSA-N -1 0 308.337 3.305 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003581640 181037376 /nfs/dbraw/zinc/03/73/76/181037376.db2.gz UFGWBWNLLQMVID-UHFFFAOYSA-N -1 0 303.383 3.307 50 0 DGAARM Cc1ccc(NC(=O)CSc2ccccc2)c(C(=O)[O-])c1 ZINC000003863498 181050033 /nfs/dbraw/zinc/05/00/33/181050033.db2.gz LETKQGGTCWBHJR-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)nc2ccc(F)cc21 ZINC000003856301 181050163 /nfs/dbraw/zinc/05/01/63/181050163.db2.gz KLEUQPBDDTUKCO-UHFFFAOYSA-N -1 0 311.268 3.468 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)c1cccs1 ZINC000003884494 181052227 /nfs/dbraw/zinc/05/22/27/181052227.db2.gz PLONHMGDZHACPU-GFCCVEGCSA-N -1 0 305.355 3.190 50 0 DGAARM O=C([O-])[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003900095 181054968 /nfs/dbraw/zinc/05/49/68/181054968.db2.gz UAJACJNUWFYSDF-SFIVQVFOSA-N -1 0 313.397 3.086 50 0 biogenic DGAARM O=C([O-])[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000004110207 181074643 /nfs/dbraw/zinc/07/46/43/181074643.db2.gz BZYPJYMCKWWCSL-KBRIMQKVSA-N -1 0 323.348 3.024 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000004299263 181094269 /nfs/dbraw/zinc/09/42/69/181094269.db2.gz TUZZBYOOQVPWSG-GFCCVEGCSA-N -1 0 318.373 3.078 50 0 DGAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004553693 181124058 /nfs/dbraw/zinc/12/40/58/181124058.db2.gz QLDGBUNDYTVRIZ-CVEARBPZSA-N -1 0 315.394 3.054 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000004653994 181132624 /nfs/dbraw/zinc/13/26/24/181132624.db2.gz CHEKABFAKPKUDR-CQSZACIVSA-N -1 0 321.735 3.425 50 0 DGAARM CCc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004616729 181129963 /nfs/dbraw/zinc/12/99/63/181129963.db2.gz QPVBEKIWQTYHHF-UHFFFAOYSA-N -1 0 318.398 3.068 50 0 DGAARM O=C([O-])c1cccc(NC(=O)CSc2ccc(F)cc2)c1 ZINC000004813755 181155144 /nfs/dbraw/zinc/15/51/44/181155144.db2.gz YUYUCDGFUVBWMN-UHFFFAOYSA-N -1 0 305.330 3.255 50 0 DGAARM C[C@H](C(=O)[O-])n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031263 181193666 /nfs/dbraw/zinc/19/36/66/181193666.db2.gz OYKVTHGWGIJBKU-CYBMUJFWSA-N -1 0 308.337 3.101 50 0 DGAARM O=C([O-])c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F ZINC000005028090 181192127 /nfs/dbraw/zinc/19/21/27/181192127.db2.gz MGWMQXYPFYYFRF-UHFFFAOYSA-N -1 0 307.231 3.171 50 0 DGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1Cl ZINC000005277664 181225808 /nfs/dbraw/zinc/22/58/08/181225808.db2.gz PGTUOOFJGHAMOZ-AWEZNQCLSA-N -1 0 318.760 3.157 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000005516173 181252494 /nfs/dbraw/zinc/25/24/94/181252494.db2.gz NBRZZCCJFHLZHN-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C)c1ccccc1 ZINC000170625815 432074436 /nfs/dbraw/zinc/07/44/36/432074436.db2.gz DJKAHODAMHQADM-XAYKYTGQSA-N -1 0 303.402 3.391 50 0 DGAARM O=C([O-])c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000005945372 181299024 /nfs/dbraw/zinc/29/90/24/181299024.db2.gz VUMVMAWMHFAZQZ-VXNVDRBHSA-N -1 0 317.292 3.303 50 0 DGAARM C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237557886 202282255 /nfs/dbraw/zinc/28/22/55/202282255.db2.gz SYIBJPSJUNUGTP-UKRRQHHQSA-N -1 0 321.392 3.250 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000000475301 304099887 /nfs/dbraw/zinc/09/98/87/304099887.db2.gz VVSCQFYWYRWFDU-NXEZZACHSA-N -1 0 313.275 3.311 50 0 DGAARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000006698848 181372050 /nfs/dbraw/zinc/37/20/50/181372050.db2.gz HAUOKWGHGKRIHX-GFCCVEGCSA-N -1 0 307.419 3.217 50 0 DGAARM COc1ccc(CNc2ccccc2C(=O)[O-])c(OC)c1OC ZINC000006701085 181373002 /nfs/dbraw/zinc/37/30/02/181373002.db2.gz QMOOWSAZSVKBFL-UHFFFAOYSA-N -1 0 317.341 3.023 50 0 DGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000006747381 181381630 /nfs/dbraw/zinc/38/16/30/181381630.db2.gz OHYZWYYJBVWSBV-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM Cc1ccc(NC(=O)CSc2ccc(C(=O)[O-])cn2)cc1C ZINC000006811574 181393029 /nfs/dbraw/zinc/39/30/29/181393029.db2.gz HXBDPCOJDNEZKE-UHFFFAOYSA-N -1 0 316.382 3.127 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)o1 ZINC000253433565 202890660 /nfs/dbraw/zinc/89/06/60/202890660.db2.gz YLPCBVIOBMRWIX-VFNNOXKTSA-N -1 0 311.337 3.296 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000013225135 304141989 /nfs/dbraw/zinc/14/19/89/304141989.db2.gz CGFIVURAFDUSHQ-UBHSHLNASA-N -1 0 307.777 3.198 50 0 DGAARM CC(C)(C)Oc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262113513 203203384 /nfs/dbraw/zinc/20/33/84/203203384.db2.gz MSUNTKKEOQLOLU-UHFFFAOYSA-N -1 0 319.401 3.237 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/c1ccsc1 ZINC000095956939 193458282 /nfs/dbraw/zinc/45/82/82/193458282.db2.gz PNKBZUFJXKXVGQ-QPJJXVBHSA-N -1 0 301.367 3.118 50 0 DGAARM Cc1nc([C@H](C)NC(=O)c2ccccc2Cl)sc1C(=O)[O-] ZINC000095997239 193484905 /nfs/dbraw/zinc/48/49/05/193484905.db2.gz VMECNHODUWHEMZ-QMMMGPOBSA-N -1 0 324.789 3.294 50 0 DGAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000096404935 193620391 /nfs/dbraw/zinc/62/03/91/193620391.db2.gz UIBCVILTCVICCE-LRDDRELGSA-N -1 0 315.344 3.261 50 0 DGAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000096404938 193620795 /nfs/dbraw/zinc/62/07/95/193620795.db2.gz UIBCVILTCVICCE-MLGOLLRUSA-N -1 0 315.344 3.261 50 0 DGAARM O=C([O-])C[C@H](NC(=O)CCc1ccccc1)c1cccs1 ZINC000013388886 181847423 /nfs/dbraw/zinc/84/74/23/181847423.db2.gz GVYLAKIHICIEDX-ZDUSSCGKSA-N -1 0 303.383 3.013 50 0 DGAARM O=c1c2cc(F)ccc2[n-]cc1S(=O)(=O)c1cccc(F)c1 ZINC000015829358 182019026 /nfs/dbraw/zinc/01/90/26/182019026.db2.gz YCGXOUPENWQRSL-UHFFFAOYSA-N -1 0 321.304 3.051 50 0 DGAARM COc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1OC ZINC000016577049 182049854 /nfs/dbraw/zinc/04/98/54/182049854.db2.gz XLGNSVGIHRUMRF-UHFFFAOYSA-N -1 0 301.342 3.323 50 0 DGAARM COc1ccc(-c2c/c(=N\CC(=O)[O-])c3cc(C)ccc3o2)cc1 ZINC000019792894 182149947 /nfs/dbraw/zinc/14/99/47/182149947.db2.gz SKRFIOBMULIEEI-CAPFRKAQSA-N -1 0 323.348 3.402 50 0 DGAARM Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000160221640 197394153 /nfs/dbraw/zinc/39/41/53/197394153.db2.gz MHFPPCKEUBDPEG-CQSZACIVSA-N -1 0 303.745 3.204 50 0 DGAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(Cc3ccccc3)s2)N1 ZINC000020606354 182238029 /nfs/dbraw/zinc/23/80/29/182238029.db2.gz FMYDWHZSFCIYSK-OCCSQVGLSA-N -1 0 305.424 3.127 50 0 DGAARM COc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000020737533 182245105 /nfs/dbraw/zinc/24/51/05/182245105.db2.gz JTIFMZMTTCDEMU-UHFFFAOYSA-N -1 0 319.320 3.254 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000190478379 304181938 /nfs/dbraw/zinc/18/19/38/304181938.db2.gz CJJWVLCMURKHKB-CXQJBGSLSA-N -1 0 321.339 3.068 50 0 DGAARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1nc(C)c(Cl)c1C ZINC000022200770 182313109 /nfs/dbraw/zinc/31/31/09/182313109.db2.gz RAVCXDJPMLSJFR-FNORWQNLSA-N -1 0 320.776 3.308 50 0 DGAARM O=C([O-])c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000026189582 182433061 /nfs/dbraw/zinc/43/30/61/182433061.db2.gz RFPMWAJGPAWPSM-UHFFFAOYSA-N -1 0 308.337 3.209 50 0 DGAARM CCc1ccc2oc(-c3ccc(C(=O)[O-])cc3)c(O)c(=O)c2c1 ZINC000031773434 182623297 /nfs/dbraw/zinc/62/32/97/182623297.db2.gz UAGJSVJCBSXVKK-UHFFFAOYSA-N -1 0 310.305 3.426 50 0 DGAARM C[C@H](c1ccccc1)[C@@H](CC(=O)NC1CCCCC1)C(=O)[O-] ZINC000035142224 182756037 /nfs/dbraw/zinc/75/60/37/182756037.db2.gz KBHOYRFPYOFLLH-CZUORRHYSA-N -1 0 303.402 3.330 50 0 DGAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040393659 183060824 /nfs/dbraw/zinc/06/08/24/183060824.db2.gz IWKUICDSRFXKRI-JTQLQIEISA-N -1 0 303.145 3.074 50 0 DGAARM CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000040478883 183075886 /nfs/dbraw/zinc/07/58/86/183075886.db2.gz HNEKSPDQXWLQJG-UHFFFAOYSA-N -1 0 322.382 3.150 50 0 DGAARM CCCCOc1cc(C)ccc1S(=O)(=O)[N-]c1ccccn1 ZINC000041091720 183164375 /nfs/dbraw/zinc/16/43/75/183164375.db2.gz MIXKHNQFEUSLIL-UHFFFAOYSA-N -1 0 320.414 3.370 50 0 DGAARM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cccs1 ZINC000041371814 183187315 /nfs/dbraw/zinc/18/73/15/183187315.db2.gz WVVAORIJLCOFPX-UHFFFAOYSA-N -1 0 308.428 3.149 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000043584223 183373542 /nfs/dbraw/zinc/37/35/42/183373542.db2.gz SVBDSVXOELYYOQ-SECBINFHSA-N -1 0 301.795 3.119 50 0 DGAARM CCC[C@H](C)c1nnc([N-]C(=O)c2noc(C)c2COC)s1 ZINC000055119903 183965570 /nfs/dbraw/zinc/96/55/70/183965570.db2.gz ZQQGTFCCJKFWHY-QMMMGPOBSA-N -1 0 324.406 3.137 50 0 DGAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000268934697 207099282 /nfs/dbraw/zinc/09/92/82/207099282.db2.gz MMSWVGVBUIPNGT-ZJUUUORDSA-N -1 0 316.184 3.030 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000229278 304229769 /nfs/dbraw/zinc/22/97/69/304229769.db2.gz RKGHGAVRUBBCTM-MWLCHTKSSA-N -1 0 311.263 3.242 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1Cl ZINC000058308187 184103811 /nfs/dbraw/zinc/10/38/11/184103811.db2.gz QOMCGUDNJXXAIO-BXUZGUMPSA-N -1 0 307.777 3.328 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004207376 304242279 /nfs/dbraw/zinc/24/22/79/304242279.db2.gz MWRRKIOCVXHVSL-UHFFFAOYSA-N -1 0 313.397 3.217 50 0 DGAARM O=C([O-])c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000000114845 304246487 /nfs/dbraw/zinc/24/64/87/304246487.db2.gz ONCKFUWLVNQAFK-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc2ccccc2o1 ZINC000336877830 253017556 /nfs/dbraw/zinc/01/75/56/253017556.db2.gz XKRORWQCRWIOHY-KRWDZBQOSA-N -1 0 321.332 3.257 50 0 DGAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccs1)CC3 ZINC000096792789 304251706 /nfs/dbraw/zinc/25/17/06/304251706.db2.gz ZCFDVANFOPABEH-NTMALXAHSA-N -1 0 324.361 3.101 50 0 DGAARM O=C([O-])c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000072319858 304254363 /nfs/dbraw/zinc/25/43/63/304254363.db2.gz DRAUWGYAQKRJFV-UHFFFAOYSA-N -1 0 310.153 3.366 50 0 DGAARM CC1(C)CC(=O)C2=C(C1)Oc1[n-][nH]c(=O)c1[C@H]2c1cccs1 ZINC000005464962 400086999 /nfs/dbraw/zinc/08/69/99/400086999.db2.gz QPYDQSQGXDABNV-LBPRGKRZSA-N -1 0 316.382 3.344 50 0 DGAARM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)o1 ZINC000097231182 400283228 /nfs/dbraw/zinc/28/32/28/400283228.db2.gz SRHNVIRLWJSKFC-MRXNPFEDSA-N -1 0 315.369 3.161 50 0 DGAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1C ZINC000384994580 400260882 /nfs/dbraw/zinc/26/08/82/400260882.db2.gz RELNVANJRBRYQO-XPUUQOCRSA-N -1 0 312.163 3.050 50 0 DGAARM Cc1ncsc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073422580 400449112 /nfs/dbraw/zinc/44/91/12/400449112.db2.gz RIEGBKKIFMFCSJ-UHFFFAOYSA-N -1 0 305.384 3.185 50 0 DGAARM CC1(C)C[C@@]2(C(=O)[O-])C[C@](C)(CC3=C2C(=O)[C@@H](O)C(C)(C)C3)C1 ZINC000135659467 400588622 /nfs/dbraw/zinc/58/86/22/400588622.db2.gz YVDHDEZKQARGES-NIKGAXFTSA-N -1 0 320.429 3.334 50 0 DGAARM C=CC(=O)OCCCCCCCCCCC[P@](=O)([O-])O ZINC000146263105 400648040 /nfs/dbraw/zinc/64/80/40/400648040.db2.gz RLAKYYIYWIWCED-UHFFFAOYSA-N -1 0 306.339 3.404 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C/c2cccc3c2OCO3)s1 ZINC000170651774 400768279 /nfs/dbraw/zinc/76/82/79/400768279.db2.gz LUDDOMWSOJPTEL-YDFGWWAZSA-N -1 0 301.323 3.140 50 0 DGAARM O=C([O-])/C=C\c1cnc(/C=C/c2cccc3c2OCO3)s1 ZINC000606443211 400913260 /nfs/dbraw/zinc/91/32/60/400913260.db2.gz LUDDOMWSOJPTEL-GUBXDBFYSA-N -1 0 301.323 3.140 50 0 DGAARM COC(=O)c1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc1 ZINC000606443515 400913590 /nfs/dbraw/zinc/91/35/90/400913590.db2.gz APMKMIRYLQUWHW-CKCLTMHVSA-N -1 0 315.350 3.198 50 0 DGAARM Cc1cc(C)c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000630178864 401210535 /nfs/dbraw/zinc/21/05/35/401210535.db2.gz WCDNILMOLZFAQA-CYBMUJFWSA-N -1 0 321.373 3.102 50 0 DGAARM CCc1nc(C)c(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)s1 ZINC000630266167 401229786 /nfs/dbraw/zinc/22/97/86/401229786.db2.gz WBROKJGDTJEWCY-LBPRGKRZSA-N -1 0 324.446 3.025 50 0 DGAARM Cc1oc(CNC(=O)c2cc(C(C)C)oc2C)cc1C(=O)[O-] ZINC000262930351 165824513 /nfs/dbraw/zinc/82/45/13/165824513.db2.gz BFKXSXPSYXWVPK-UHFFFAOYSA-N -1 0 305.330 3.241 50 0 DGAARM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(C(=O)[O-])c1 ZINC000263458820 165868478 /nfs/dbraw/zinc/86/84/78/165868478.db2.gz VCSOJHDETAVVCH-INIZCTEOSA-N -1 0 312.369 3.393 50 0 DGAARM CCCOc1cc(C)ccc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000041096161 425851643 /nfs/dbraw/zinc/85/16/43/425851643.db2.gz YJGMUJRVFXJOTK-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM CC(C)(C)NC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095382002 278360998 /nfs/dbraw/zinc/36/09/98/278360998.db2.gz RDRQEFBDOASULO-CQSZACIVSA-N -1 0 304.390 3.072 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000116174 431128133 /nfs/dbraw/zinc/12/81/33/431128133.db2.gz XJNLRKFXYNBXOR-AWEZNQCLSA-N -1 0 321.735 3.425 50 0 DGAARM COc1ccc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2c1 ZINC000000127820 431130833 /nfs/dbraw/zinc/13/08/33/431130833.db2.gz YWDWKZKZILTNGO-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM CC(C)C[C@H](NC(=O)c1csc2c1CC[C@H](C)C2)C(=O)[O-] ZINC000012940837 279191143 /nfs/dbraw/zinc/19/11/43/279191143.db2.gz KGRYLNMZCAFGKT-GWCFXTLKSA-N -1 0 309.431 3.102 50 0 DGAARM CC(C)C[C@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000004316844 279196167 /nfs/dbraw/zinc/19/61/67/279196167.db2.gz SBAPFBZXXVHJOS-JTQLQIEISA-N -1 0 305.403 3.091 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000192138 431141781 /nfs/dbraw/zinc/14/17/81/431141781.db2.gz WKHHLRIEEVZRNK-BQBZGAKWSA-N -1 0 313.564 3.082 50 0 DGAARM Cc1ccc(NC(=O)CCC(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000000312898 431164535 /nfs/dbraw/zinc/16/45/35/431164535.db2.gz NOKMCUKNAAKGBY-UHFFFAOYSA-N -1 0 311.337 3.029 50 0 DGAARM CCC[C@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069118704 431165135 /nfs/dbraw/zinc/16/51/35/431165135.db2.gz ZZZKPBFZAJAWRS-VIFPVBQESA-N -1 0 305.403 3.259 50 0 DGAARM COc1ccc(-n2nc(-c3cccs3)cc2C(=O)[O-])cc1 ZINC000000324071 431165228 /nfs/dbraw/zinc/16/52/28/431165228.db2.gz ABPMZZSMJFDSFW-UHFFFAOYSA-N -1 0 300.339 3.308 50 0 DGAARM COc1ccc(-c2csc(-n3[n-]c(C)c(C)c3=O)n2)cc1 ZINC000000274933 431158525 /nfs/dbraw/zinc/15/85/25/431158525.db2.gz WLMFAVQCCLKVMA-VIFPVBQESA-N -1 0 301.371 3.177 50 0 DGAARM Cc1ccc2nc(-c3ccc(N)cc3)sc2c1S(=O)(=O)[O-] ZINC000001676877 431236937 /nfs/dbraw/zinc/23/69/37/431236937.db2.gz KGZUHYIHYBDNLC-UHFFFAOYSA-N -1 0 320.395 3.101 50 0 aggregator DGAARM Cc1ccc2c(c1)oc(-c1ccco1)c(O[C@@H](C)C(=O)[O-])c2=O ZINC000001910767 431242370 /nfs/dbraw/zinc/24/23/70/431242370.db2.gz MTXPICZJVCAGSB-JTQLQIEISA-N -1 0 314.293 3.213 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C(=O)[O-] ZINC000002391712 431251218 /nfs/dbraw/zinc/25/12/18/431251218.db2.gz DAYGDJLPGZOFEW-KBPBESRZSA-N -1 0 305.374 3.254 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000002511648 431255910 /nfs/dbraw/zinc/25/59/10/431255910.db2.gz GCMABDJIXXRLPM-LLVKDONJSA-N -1 0 301.289 3.005 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ccccc2oc1=O ZINC000002951538 431278255 /nfs/dbraw/zinc/27/82/55/431278255.db2.gz JOQRDVNOCGLBOG-UHFFFAOYSA-N -1 0 323.304 3.052 50 0 DGAARM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000002640364 431262064 /nfs/dbraw/zinc/26/20/64/431262064.db2.gz HSDZJCDBEDZJOF-UHFFFAOYSA-N -1 0 309.746 3.481 50 0 DGAARM COc1cc2[n-]c(=S)n(CCC(C)C)c(=O)c2cc1OC ZINC000002739399 431267910 /nfs/dbraw/zinc/26/79/10/431267910.db2.gz MBXKNKWEMBLTGG-UHFFFAOYSA-N -1 0 308.403 3.122 50 0 DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000006729248 431317753 /nfs/dbraw/zinc/31/77/53/431317753.db2.gz QISUJZHVTYTBON-NEPJUHHUSA-N -1 0 308.765 3.121 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000007056408 431328572 /nfs/dbraw/zinc/32/85/72/431328572.db2.gz PPGJMMSUYPBBAL-UHFFFAOYSA-N -1 0 319.382 3.007 50 0 DGAARM CCCc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000007055779 431329651 /nfs/dbraw/zinc/32/96/51/431329651.db2.gz MJXQIKROHQYNGK-UHFFFAOYSA-N -1 0 319.382 3.138 50 0 DGAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000007052930 431329950 /nfs/dbraw/zinc/32/99/50/431329950.db2.gz VNFYABJHQHHYFM-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM C[C@](CC(=O)Nc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000008987300 431417738 /nfs/dbraw/zinc/41/77/38/431417738.db2.gz HCHDGPZSGVEZIM-QGZVFWFLSA-N -1 0 319.307 3.336 50 0 DGAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008107827 431378091 /nfs/dbraw/zinc/37/80/91/431378091.db2.gz HIEMFVRQRWOCLA-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM CC[C@H](C)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000008197809 431383686 /nfs/dbraw/zinc/38/36/86/431383686.db2.gz SHYYPGOGZJLYIA-KWQFWETISA-N -1 0 318.295 3.326 50 0 DGAARM Cc1cn(C)c(CC(=O)Nc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000008607580 431403751 /nfs/dbraw/zinc/40/37/51/431403751.db2.gz OJVBODVJZIJRTC-UHFFFAOYSA-N -1 0 324.739 3.005 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000008714955 431409707 /nfs/dbraw/zinc/40/97/07/431409707.db2.gz FFCBRJUUDHHGDL-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM O=c1cc(-c2ccccc2)nc2[n-]c(-c3ccccc3Cl)nn21 ZINC000009936126 431450536 /nfs/dbraw/zinc/45/05/36/431450536.db2.gz OOPBJONMANEUOC-UHFFFAOYSA-N -1 0 322.755 3.405 50 0 DGAARM O=[P@@]([O-])(O)[C@H](NCc1cccc(Cl)c1)c1ccsc1 ZINC000012997469 431541479 /nfs/dbraw/zinc/54/14/79/431541479.db2.gz VBDSMMPJIRLTBM-LBPRGKRZSA-N -1 0 317.734 3.368 50 0 DGAARM CCCCc1noc(CSc2nc(=O)c3sccc3[n-]2)n1 ZINC000013012887 431545023 /nfs/dbraw/zinc/54/50/23/431545023.db2.gz RIOIMEJWOUXDOR-UHFFFAOYSA-N -1 0 322.415 3.003 50 0 DGAARM Cc1cccc(C)c1NC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000013126733 431546485 /nfs/dbraw/zinc/54/64/85/431546485.db2.gz CAIOZUJLAVVKIX-UHFFFAOYSA-N -1 0 308.337 3.103 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000013171283 431550165 /nfs/dbraw/zinc/55/01/65/431550165.db2.gz BFVQWBBJCYLVQM-GFCCVEGCSA-N -1 0 317.316 3.023 50 0 DGAARM CC(=O)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000013253204 431551560 /nfs/dbraw/zinc/55/15/60/431551560.db2.gz FYRWPAZMBVDRBO-INIZCTEOSA-N -1 0 311.337 3.086 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000013348690 431554046 /nfs/dbraw/zinc/55/40/46/431554046.db2.gz UEAZUAIWOANQGP-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389107 431554199 /nfs/dbraw/zinc/55/41/99/431554199.db2.gz FGASEUWBEDBKOL-CYBMUJFWSA-N -1 0 319.382 3.093 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccc1F)c1cccs1 ZINC000013388078 431555517 /nfs/dbraw/zinc/55/55/17/431555517.db2.gz WQOPBENYWXMVLE-SBDDDAINSA-N -1 0 319.357 3.233 50 0 DGAARM CCc1nnc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)s1 ZINC000014092678 431575713 /nfs/dbraw/zinc/57/57/13/431575713.db2.gz XLQJXQORHHLYLR-UHFFFAOYSA-N -1 0 323.246 3.048 50 0 DGAARM COc1ccc(-c2c[n-]n3c2ncc(-c2ccccc2)c3=O)cc1 ZINC000015108161 431604768 /nfs/dbraw/zinc/60/47/68/431604768.db2.gz USTDXIPBQJEHGT-UHFFFAOYSA-N -1 0 317.348 3.365 50 0 DGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000016622079 431612340 /nfs/dbraw/zinc/61/23/40/431612340.db2.gz HSDGXPBNGLUIEB-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC000028577705 431707894 /nfs/dbraw/zinc/70/78/94/431707894.db2.gz KHRUOYXFALORLZ-UHFFFAOYSA-N -1 0 323.399 3.010 50 0 DGAARM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)nn1C ZINC000095969676 280583314 /nfs/dbraw/zinc/58/33/14/280583314.db2.gz HMXVXNZWCZVUHC-UHFFFAOYSA-N -1 0 321.764 3.147 50 0 DGAARM CC[C@H]1CCc2nc3sc4c([nH]c(=O)cc4[O-])c3cc2C1 ZINC000004945461 288249766 /nfs/dbraw/zinc/24/97/66/288249766.db2.gz IWGXJTXFLGYCBS-QMMMGPOBSA-N -1 0 300.383 3.358 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1ccncc1 ZINC000032907463 431800303 /nfs/dbraw/zinc/80/03/03/431800303.db2.gz CEVZUUAKDUBVKV-AWEZNQCLSA-N -1 0 302.761 3.418 50 0 DGAARM CO[N-]C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000036728696 431840787 /nfs/dbraw/zinc/84/07/87/431840787.db2.gz SVRQQFGYMOYGLG-UHFFFAOYSA-N -1 0 316.304 3.049 50 0 DGAARM COc1cccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c1 ZINC000038487444 431856165 /nfs/dbraw/zinc/85/61/65/431856165.db2.gz VFTNXYVVXATEEL-UHFFFAOYSA-N -1 0 319.320 3.254 50 0 DGAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000040158022 431857091 /nfs/dbraw/zinc/85/70/91/431857091.db2.gz MAWNTHQUYXEBFU-UHFFFAOYSA-N -1 0 321.789 3.326 50 0 DGAARM Cc1c(Cl)c(CN2CCC[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000035302776 431827875 /nfs/dbraw/zinc/82/78/75/431827875.db2.gz XMCBTRAVAXCUSE-CQSZACIVSA-N -1 0 304.777 3.246 50 0 DGAARM COc1ccc(Cn2nc(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000044672152 431876037 /nfs/dbraw/zinc/87/60/37/431876037.db2.gz GTCJICZNYYBZIV-UHFFFAOYSA-N -1 0 308.337 3.305 50 0 DGAARM Nc1nc(/C=C/c2ccc(F)cc2)nc(-c2ccccc2[O-])n1 ZINC000100164041 431980894 /nfs/dbraw/zinc/98/08/94/431980894.db2.gz CHXLAEGBGVBQOB-JXMROGBWSA-N -1 0 308.316 3.136 50 0 DGAARM O=C([O-])C/C(=C/c1csnn1)c1nc2ccccc2s1 ZINC000048481916 431927168 /nfs/dbraw/zinc/92/71/68/431927168.db2.gz CYMLCNJCEWDPLR-YVMONPNESA-N -1 0 303.368 3.163 50 0 DGAARM CCC[C@@](C)(NC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000095956936 431928210 /nfs/dbraw/zinc/92/82/10/431928210.db2.gz KNMKWEDXCMKJLY-LLVKDONJSA-N -1 0 310.202 3.428 50 0 DGAARM CCC[C@](C)(NC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000095956935 431928526 /nfs/dbraw/zinc/92/85/26/431928526.db2.gz KNMKWEDXCMKJLY-NSHDSACASA-N -1 0 310.202 3.428 50 0 DGAARM CCC(CC)n1nccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095989374 431932930 /nfs/dbraw/zinc/93/29/30/431932930.db2.gz RWKYGBMXUXULKD-UHFFFAOYSA-N -1 0 301.346 3.195 50 0 DGAARM O=c1nc(-c2cnc(Oc3ccccc3)cn2)[n-]c2ccsc21 ZINC000096009362 431934540 /nfs/dbraw/zinc/93/45/40/431934540.db2.gz DFNWQCKEMNTWFU-UHFFFAOYSA-N -1 0 322.349 3.234 50 0 DGAARM C[C@H](Oc1ccc(C(=O)/C=C\c2ccsc2)cc1)C(=O)[O-] ZINC000096765678 431956603 /nfs/dbraw/zinc/95/66/03/431956603.db2.gz VMTNMAMKGVBLLH-JNWMYZIBSA-N -1 0 302.351 3.496 50 0 DGAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000097035846 431957028 /nfs/dbraw/zinc/95/70/28/431957028.db2.gz QIRDMHDXPJEURN-KBPBESRZSA-N -1 0 315.394 3.175 50 0 DGAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000097035721 431957393 /nfs/dbraw/zinc/95/73/93/431957393.db2.gz KHZNYMVVDXESQA-LRDDRELGSA-N -1 0 322.364 3.360 50 0 DGAARM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)n1C(C)C ZINC000097045139 431957499 /nfs/dbraw/zinc/95/74/99/431957499.db2.gz RHTKUKYBWFVCIO-OAHLLOKOSA-N -1 0 320.433 3.403 50 0 DGAARM O=C(NCc1ccnc2ccccc12)c1cc(F)c([O-])c(F)c1 ZINC000097080113 431959438 /nfs/dbraw/zinc/95/94/38/431959438.db2.gz RQBNYORZJJOAQU-UHFFFAOYSA-N -1 0 314.291 3.149 50 0 DGAARM Cc1[nH]c2ccccc2c1C(=O)Cc1nc(=O)c2sccc2[n-]1 ZINC000053847402 431965852 /nfs/dbraw/zinc/96/58/52/431965852.db2.gz KVWGGVFBFFZKPJ-UHFFFAOYSA-N -1 0 323.377 3.200 50 0 DGAARM Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccccc2[O-])n1C ZINC000100468402 431982217 /nfs/dbraw/zinc/98/22/17/431982217.db2.gz UTQLEGGHINEVLK-ICFOKQHNSA-N -1 0 304.415 3.139 50 0 DGAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c(C)c1 ZINC000100498442 431982236 /nfs/dbraw/zinc/98/22/36/431982236.db2.gz SJHZSGMWEIENFR-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM CCn1nc(C)c(C(C)=NNc2ccccc2C(=O)[O-])c1C ZINC000252506777 432381223 /nfs/dbraw/zinc/38/12/23/432381223.db2.gz UUNSWKJYBNZRLL-UHFFFAOYSA-N -1 0 300.362 3.054 50 0 DGAARM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262831015 432503444 /nfs/dbraw/zinc/50/34/44/432503444.db2.gz XRNKVYXVADVKDM-SNVBAGLBSA-N -1 0 316.357 3.051 50 0 DGAARM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263554008 432556195 /nfs/dbraw/zinc/55/61/95/432556195.db2.gz XYUPZOOQQNGONR-SLEUVZQESA-N -1 0 305.374 3.037 50 0 DGAARM C[C@@H](CCC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263092416 432519599 /nfs/dbraw/zinc/51/95/99/432519599.db2.gz IANLLCUTJCJFPO-JEYLPNPQSA-N -1 0 303.402 3.330 50 0 DGAARM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)c1 ZINC000263226368 432527695 /nfs/dbraw/zinc/52/76/95/432527695.db2.gz CGLGYJDJPNSOLO-KRWDZBQOSA-N -1 0 324.380 3.374 50 0 DGAARM Cc1nc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1C(=O)[O-] ZINC000263299555 432532517 /nfs/dbraw/zinc/53/25/17/432532517.db2.gz CXORYTHXFHSSBI-AWEZNQCLSA-N -1 0 316.382 3.127 50 0 DGAARM Cc1nc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000263429692 432542716 /nfs/dbraw/zinc/54/27/16/432542716.db2.gz NAZDMMVRYHVIBX-CQSZACIVSA-N -1 0 316.382 3.127 50 0 DGAARM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(C)n1C(C)C ZINC000236705472 432758008 /nfs/dbraw/zinc/75/80/08/432758008.db2.gz ZFALWYVFNWDUJS-LLVKDONJSA-N -1 0 306.406 3.011 50 0 DGAARM O=C([O-])c1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000238131032 432813454 /nfs/dbraw/zinc/81/34/54/432813454.db2.gz ADCKZSWWYWWWKZ-RYUDHWBXSA-N -1 0 315.291 3.236 50 0 DGAARM COc1cc2c(cc1-c1nc3cc(C(=O)[O-])ccc3[nH]1)O[C@@H](C)C2 ZINC000048877328 295032252 /nfs/dbraw/zinc/03/22/52/295032252.db2.gz VENVUUDILZSJKX-VIFPVBQESA-N -1 0 324.336 3.260 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000424223940 434662254 /nfs/dbraw/zinc/66/22/54/434662254.db2.gz IYPKVQZRGROUQE-ULQDDVLXSA-N -1 0 309.365 3.041 50 0 DGAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1 ZINC000547951995 435655806 /nfs/dbraw/zinc/65/58/06/435655806.db2.gz MVSPIWMNGZQYEC-NSHDSACASA-N -1 0 323.393 3.102 50 0 DGAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000237643500 300190984 /nfs/dbraw/zinc/19/09/84/300190984.db2.gz NFWZDIWAFGGBRB-GXTWGEPZSA-N -1 0 313.353 3.244 50 0 DGAARM Cc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331756 436163430 /nfs/dbraw/zinc/16/34/30/436163430.db2.gz VYRILMXPZWSIGQ-GJZGRUSLSA-N -1 0 315.394 3.028 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)o1 ZINC000095989813 301171692 /nfs/dbraw/zinc/17/16/92/301171692.db2.gz HAJCCHGLGCLWPS-CQSZACIVSA-N -1 0 301.342 3.151 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2c1 ZINC000000368840 301926636 /nfs/dbraw/zinc/92/66/36/301926636.db2.gz CDLAWVHZBLNLRI-GHMZBOCLSA-N -1 0 318.398 3.434 50 0 DGAARM Cn1ccc2c1cccc2C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237809334 302956441 /nfs/dbraw/zinc/95/64/41/302956441.db2.gz GSWNJIQOKUXTLG-ZDUSSCGKSA-N -1 0 314.385 3.038 50 0 DGAARM O=C1[N-][C@H](C(Cl)(Cl)Cl)O[C@@H]1C(Cl)(Cl)Cl ZINC000071766987 304821627 /nfs/dbraw/zinc/82/16/27/304821627.db2.gz PMRPYKMXVGTYRU-VRKGVYIXSA-N -1 0 321.802 3.408 50 0 DGAARM CCN(CC(=O)[O-])Cc1nc(-c2ccccc2Cl)cs1 ZINC000565779035 315286996 /nfs/dbraw/zinc/28/69/96/315286996.db2.gz IENZZARRNIYYKT-UHFFFAOYSA-N -1 0 310.806 3.370 50 0 DGAARM CC(C)(C)[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000574010164 315922645 /nfs/dbraw/zinc/92/26/45/315922645.db2.gz QMILWIVSHFBORP-CYBMUJFWSA-N -1 0 317.307 3.021 50 0 DGAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097228693 323210412 /nfs/dbraw/zinc/21/04/12/323210412.db2.gz BEJRTSVYAFTALM-PXAZEXFGSA-N -1 0 322.364 3.360 50 0 DGAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097228692 323210469 /nfs/dbraw/zinc/21/04/69/323210469.db2.gz BEJRTSVYAFTALM-SJCJKPOMSA-N -1 0 322.364 3.360 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000004241321 331485339 /nfs/dbraw/zinc/48/53/39/331485339.db2.gz FGLYPQZHYLRBOI-OCCSQVGLSA-N -1 0 323.364 3.078 50 0 DGAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ncccc2oc1=O ZINC000005817080 331492864 /nfs/dbraw/zinc/49/28/64/331492864.db2.gz JOBGAZBDRXNGTO-ZDUSSCGKSA-N -1 0 309.321 3.005 50 0 DGAARM O=S(=O)([N-]c1ccccc1)c1ccccc1Br ZINC000007052509 331500807 /nfs/dbraw/zinc/50/08/07/331500807.db2.gz AWKNJYBNCAEKMZ-UHFFFAOYSA-N -1 0 312.188 3.250 50 0 DGAARM O=C([O-])c1ccc(-c2ccc(N3CCCCCC3)nn2)s1 ZINC000534584494 334291492 /nfs/dbraw/zinc/29/14/92/334291492.db2.gz CUFPLKIEHWPFFP-UHFFFAOYSA-N -1 0 303.387 3.284 50 0 DGAARM CCCCOc1cc(F)ccc1-c1cnn(CC(=O)[O-])c1C ZINC000534646726 334306974 /nfs/dbraw/zinc/30/69/74/334306974.db2.gz ZWUUPTZRPNMYGW-UHFFFAOYSA-N -1 0 306.337 3.261 50 0 DGAARM O=c1oc(-c2cccc(Br)c2)nc2ccc([O-])cc12 ZINC000002876564 501083152 /nfs/dbraw/zinc/08/31/52/501083152.db2.gz ONQKOHBOMDJFMW-UHFFFAOYSA-N -1 0 318.126 3.323 50 0 DGAARM Cc1ccc(C)c(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000220555866 546265146 /nfs/dbraw/zinc/26/51/46/546265146.db2.gz AYDYDBWUFNBISS-MRXNPFEDSA-N -1 0 303.402 3.092 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1C ZINC000239159585 546294191 /nfs/dbraw/zinc/29/41/91/546294191.db2.gz MJSKIYANFCWTMW-CWRNSKLLSA-N -1 0 301.386 3.148 50 0 DGAARM O=C([O-])c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1 ZINC000299763560 546434573 /nfs/dbraw/zinc/43/45/73/546434573.db2.gz ORZNFGQWOQZZHT-UHFFFAOYSA-N -1 0 322.349 3.242 50 0 DGAARM CCc1onc(-c2cc(Br)cs2)c1C(=O)[O-] ZINC000675057752 548148971 /nfs/dbraw/zinc/14/89/71/548148971.db2.gz NFVWGGONNOHBDR-UHFFFAOYSA-N -1 0 302.149 3.426 50 0 DGAARM Cc1c(NC(=O)[C@H]2C[C@H]2C)cc(Br)cc1C(=O)[O-] ZINC000863981674 621724358 /nfs/dbraw/zinc/72/43/58/621724358.db2.gz HFFVXEWNWCRUNO-MUWHJKNJSA-N -1 0 312.163 3.050 50 0 DGAARM CCO[C@@H](c1noc(-c2cc(OC)c(O)c(OC)c2)n1)C(C)C ZINC000864096788 621736055 /nfs/dbraw/zinc/73/60/55/621736055.db2.gz HIJFJPUIHNMDHA-CQSZACIVSA-N -1 0 322.361 3.193 50 0 DGAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)o1 ZINC000198744127 656259769 /nfs/dbraw/zinc/25/97/69/656259769.db2.gz GJOCXVAWUNYNTR-CYBMUJFWSA-N -1 0 303.314 3.030 50 0 DGAARM O=C([O-])c1cc(NN=Cc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000254715365 656425963 /nfs/dbraw/zinc/42/59/63/656425963.db2.gz FXAYSMQJVILZPX-UHFFFAOYSA-N -1 0 319.704 3.392 50 0 DGAARM C[C@H]1C[C@H](C)CN(c2cc(C(=O)[O-])cc(Br)n2)C1 ZINC000725347702 656533641 /nfs/dbraw/zinc/53/36/41/656533641.db2.gz MQHMCBHEKAGAOA-IUCAKERBSA-N -1 0 313.195 3.025 50 0 DGAARM Cc1ccc2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2n1 ZINC000000284264 658357131 /nfs/dbraw/zinc/35/71/31/658357131.db2.gz SCGCPRORGYJPEB-UHFFFAOYSA-N -1 0 306.321 3.494 50 0 DGAARM O=C1NC(=S)SC1=Cc1cnn(Cc2ccccc2)c1 ZINC000056688450 658979799 /nfs/dbraw/zinc/97/97/99/658979799.db2.gz OLQUBZSXZFXJIN-WUXMJOGZSA-N -1 0 301.396 3.261 50 0 DGAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1 ZINC000005957776 1176697722 /nfs/dbraw/zinc/69/77/22/1176697722.db2.gz DSRQCPKOIOYTJY-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM Cc1ccc2c(c1)OC(C)(C)C[C@@H]2Nc1cnc(C(=O)[O-])cn1 ZINC001506402078 1186222111 /nfs/dbraw/zinc/22/21/11/1186222111.db2.gz LVBURKLYANMYSM-LBPRGKRZSA-N -1 0 313.357 3.198 50 0 DGAARM CN(Cc1nc(C(=O)[O-])co1)C[C@@]1(c2ccccc2)CC1(C)C ZINC001529106413 1187533457 /nfs/dbraw/zinc/53/34/57/1187533457.db2.gz OIUOMSKCXQPRCY-GOSISDBHSA-N -1 0 314.385 3.173 50 0 DGAARM C[C@@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000952852419 1096781123 /nfs/dbraw/zinc/78/11/23/1096781123.db2.gz MIKBCSBVQIXKDE-YVEFUNNKSA-N -1 0 309.365 3.185 50 0 DGAARM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2Cl)no1 ZINC000095508124 185375943 /nfs/dbraw/zinc/37/59/43/185375943.db2.gz WSKVSUZEEPQXIN-ZDUSSCGKSA-N -1 0 322.748 3.007 50 0 DGAARM Cc1ncsc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000328594306 231234936 /nfs/dbraw/zinc/23/49/36/231234936.db2.gz ZEYKVURJDFCGFY-UHFFFAOYSA-N -1 0 302.808 3.214 50 0 DGAARM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)/C=C\c1ccccc1 ZINC000096935716 185392700 /nfs/dbraw/zinc/39/27/00/185392700.db2.gz IUHSJXHOSLQUNO-KHPPLWFESA-N -1 0 317.366 3.106 50 0 DGAARM Cc1nn(-c2ccc(C)cc2)c2nc(C(F)(F)F)[n-]c(=O)c12 ZINC000008692396 282237974 /nfs/dbraw/zinc/23/79/74/282237974.db2.gz HPYQSLDADZGQEV-UHFFFAOYSA-N -1 0 308.263 3.157 50 0 aggregator DGAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCC(F)(F)F)cc1 ZINC000097014486 185397171 /nfs/dbraw/zinc/39/71/71/185397171.db2.gz HWJACLZHARSYJR-UHFFFAOYSA-N -1 0 303.280 3.330 50 0 DGAARM C[C@H](Nc1c2ccccc2[nH]c(=O)c1C(=O)[O-])c1ccccc1 ZINC000169387320 197746648 /nfs/dbraw/zinc/74/66/48/197746648.db2.gz JLTXWIOGKKOZAB-NSHDSACASA-N -1 0 308.337 3.399 50 0 DGAARM CN(C(=O)c1cc(C(=O)[O-])co1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000097115278 185412897 /nfs/dbraw/zinc/41/28/97/185412897.db2.gz RFRFHMFPHWMJCE-HNNXBMFYSA-N -1 0 317.316 3.340 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N(C)c1cccc(C)c1 ZINC000064980696 432010045 /nfs/dbraw/zinc/01/00/45/432010045.db2.gz YBSKHKOZUORKKM-UHFFFAOYSA-N -1 0 314.385 3.029 50 0 DGAARM CN(C)C(=O)c1ccc(-c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000067772182 190720092 /nfs/dbraw/zinc/72/00/92/190720092.db2.gz UMUFDHPYOOUBKH-UHFFFAOYSA-N -1 0 303.745 3.407 50 0 DGAARM COc1ccc(-n2ccnc2-c2ccccc2OCC(=O)[O-])cc1 ZINC000071768066 191029728 /nfs/dbraw/zinc/02/97/28/191029728.db2.gz VOWZWJSQLOTWFZ-UHFFFAOYSA-N -1 0 324.336 3.011 50 0 DGAARM O=C([O-])[C@H]1CS[C@H](c2cccc(OCc3ccccc3)c2)N1 ZINC000000089179 180688668 /nfs/dbraw/zinc/68/86/68/180688668.db2.gz YRLVPSPXIOQZLQ-HZPDHXFCSA-N -1 0 315.394 3.054 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000000112711 180697218 /nfs/dbraw/zinc/69/72/18/180697218.db2.gz HNPARGJXPNLTOF-CQSZACIVSA-N -1 0 321.735 3.425 50 0 DGAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cccs3)C2)cc1 ZINC000072432911 191165126 /nfs/dbraw/zinc/16/51/26/191165126.db2.gz NBDHXWMUDCTXJW-CYBMUJFWSA-N -1 0 315.394 3.151 50 0 DGAARM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000000319118 180758836 /nfs/dbraw/zinc/75/88/36/180758836.db2.gz GTYSZZAOPRYUBV-SNVBAGLBSA-N -1 0 319.744 3.444 50 0 DGAARM O=C(Nc1ccc(F)cc1F)c1cc2ccccc2o/c1=N\[O-] ZINC000067350819 432029645 /nfs/dbraw/zinc/02/96/45/432029645.db2.gz ZNCATKYDCYJSOX-SILNSSARSA-N -1 0 316.263 3.253 50 0 DGAARM Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC000000367856 180768744 /nfs/dbraw/zinc/76/87/44/180768744.db2.gz VNNNWQRQFOBLAZ-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM Cc1ccc(C([O-])=CS(=O)(=O)c2ccc(F)cc2F)c(C)c1 ZINC000067340700 432029977 /nfs/dbraw/zinc/02/99/77/432029977.db2.gz VVSGMTAFHNESPY-UHFFFAOYSA-N -1 0 324.348 3.238 50 0 DGAARM CCCCOC(=O)COC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000002266628 180917219 /nfs/dbraw/zinc/91/72/19/180917219.db2.gz SXWRKHNOUXKNBH-UHFFFAOYSA-N -1 0 321.156 3.199 50 0 DGAARM O=C([O-])C1=Nc2nc3ccccc3n2[C@H](c2ccc(F)cc2)C1 ZINC000004635561 304035711 /nfs/dbraw/zinc/03/57/11/304035711.db2.gz RTUNNTLFYHJKAN-HNNXBMFYSA-N -1 0 309.300 3.159 50 0 DGAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1 ZINC000003884496 181052483 /nfs/dbraw/zinc/05/24/83/181052483.db2.gz WBZAYRKYQNSAIP-INIZCTEOSA-N -1 0 313.353 3.437 50 0 DGAARM Cc1ccc(C)c([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000004040468 181065890 /nfs/dbraw/zinc/06/58/90/181065890.db2.gz GINHWNMIJHCFEI-MSOLQXFVSA-N -1 0 320.392 3.473 50 0 biogenic DGAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000004148004 181079047 /nfs/dbraw/zinc/07/90/47/181079047.db2.gz XDFPREFRHKFXHL-UHFFFAOYSA-N -1 0 306.387 3.061 50 0 DGAARM Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc(C(=O)[O-])cc1 ZINC000004290735 181093686 /nfs/dbraw/zinc/09/36/86/181093686.db2.gz AXBKSXNMJJDWCB-UHFFFAOYSA-N -1 0 313.744 3.473 50 0 DGAARM O=C([O-])c1ccc(Cn2nnc3cccc4cccc2c43)cc1 ZINC000004671208 181134680 /nfs/dbraw/zinc/13/46/80/181134680.db2.gz PNTQYEMXGMZSEP-UHFFFAOYSA-N -1 0 303.321 3.331 50 0 DGAARM CSc1ccccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004650990 181131937 /nfs/dbraw/zinc/13/19/37/181131937.db2.gz UQTOGQHLUONZDZ-QOBDMFJFSA-N -1 0 305.399 3.094 50 0 DGAARM Cc1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000004679686 181136082 /nfs/dbraw/zinc/13/60/82/181136082.db2.gz HOOYTBCURLGTKY-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM Cc1ccc(Sc2ccc(/C=C3/NC(=O)[N-]C3=O)cc2)cc1 ZINC000004813666 181155632 /nfs/dbraw/zinc/15/56/32/181155632.db2.gz PZBZTQNAMMHUBF-XNTDXEJSSA-N -1 0 310.378 3.327 50 0 DGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)c(C)c1C ZINC000004913578 181172164 /nfs/dbraw/zinc/17/21/64/181172164.db2.gz UVNXZIKRPKTZPZ-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM CCCCOC[C@@H](O)CCc1n[n-]c(=S)n1-c1ccccc1 ZINC000005694872 181273475 /nfs/dbraw/zinc/27/34/75/181273475.db2.gz HFEIMJUJOICMSW-AWEZNQCLSA-N -1 0 321.446 3.040 50 0 DGAARM CCc1ccc(-c2nc(CN3CCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000236998564 202115199 /nfs/dbraw/zinc/11/51/99/202115199.db2.gz URZZOMFQCFSQFI-HNNXBMFYSA-N -1 0 316.426 3.422 50 0 DGAARM COc1ccccc1[C@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000005880649 181292322 /nfs/dbraw/zinc/29/23/22/181292322.db2.gz WTLXOHDZGPHZDO-CYBMUJFWSA-N -1 0 300.310 3.031 50 0 biogenic DGAARM O=C([O-])Cc1cccc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000263551072 304089672 /nfs/dbraw/zinc/08/96/72/304089672.db2.gz WMAZEFUVFGYCMI-GOSISDBHSA-N -1 0 309.365 3.446 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000237931572 202394447 /nfs/dbraw/zinc/39/44/47/202394447.db2.gz BOXKXWOMHYUQGX-ARFHVFGLSA-N -1 0 319.376 3.175 50 0 DGAARM O=C([O-])[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000001383808 304100176 /nfs/dbraw/zinc/10/01/76/304100176.db2.gz WFSJXMMBWGEBAN-WBVHZDCISA-N -1 0 301.386 3.384 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)NCCCc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000006395163 181337201 /nfs/dbraw/zinc/33/72/01/181337201.db2.gz AAOHSDNOBNQFDT-IAGOWNOFSA-N -1 0 315.413 3.183 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000006668206 304107274 /nfs/dbraw/zinc/10/72/74/304107274.db2.gz WBBPHNRIFMXEQZ-LSDHHAIUSA-N -1 0 301.386 3.395 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000006668205 304107406 /nfs/dbraw/zinc/10/74/06/304107406.db2.gz WBBPHNRIFMXEQZ-HUUCEWRRSA-N -1 0 301.386 3.395 50 0 DGAARM CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000006550728 181353443 /nfs/dbraw/zinc/35/34/43/181353443.db2.gz MPGBEYIDXUPECE-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2cc(C(C)(C)C)on2)[C@H](C(=O)[O-])C1 ZINC000006698220 181371646 /nfs/dbraw/zinc/37/16/46/181371646.db2.gz LPWQBHZZLPQEIF-NWDGAFQWSA-N -1 0 320.389 3.358 50 0 DGAARM Cc1cccnc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006706772 181375344 /nfs/dbraw/zinc/37/53/44/181375344.db2.gz MFQVPATZQOFBOF-UHFFFAOYSA-N -1 0 304.415 3.425 50 0 DGAARM Cc1cc(N[C@H](C)c2ccncn2)nc(-c2ccccc2[O-])n1 ZINC000091364953 193046460 /nfs/dbraw/zinc/04/64/60/193046460.db2.gz KYHDEDPGAKWTNQ-GFCCVEGCSA-N -1 0 307.357 3.121 50 0 DGAARM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000450545687 240760401 /nfs/dbraw/zinc/76/04/01/240760401.db2.gz ZXZHANDJCXBOIK-AWEZNQCLSA-N -1 0 311.381 3.396 50 0 DGAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccccc1F ZINC000007409093 181463672 /nfs/dbraw/zinc/46/36/72/181463672.db2.gz DVTFPMCDOYTFPG-UHFFFAOYSA-N -1 0 317.288 3.228 50 0 DGAARM O=C([O-])c1coc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c1 ZINC000263561913 203479868 /nfs/dbraw/zinc/47/98/68/203479868.db2.gz CLHDAXNJRIWFJN-UHFFFAOYSA-N -1 0 321.279 3.061 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000095970425 193466882 /nfs/dbraw/zinc/46/68/82/193466882.db2.gz LKTKXEWWOYFXKZ-KGLIPLIRSA-N -1 0 315.394 3.175 50 0 DGAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc2sccc2c1 ZINC000263300355 304158914 /nfs/dbraw/zinc/15/89/14/304158914.db2.gz DCYJMUKHTFZWLV-GUTXKFCHSA-N -1 0 315.394 3.227 50 0 DGAARM O=C([O-])[C@@H](Cc1ccccc1)S[C@H]1OC(=O)c2ccccc21 ZINC000012274227 181745150 /nfs/dbraw/zinc/74/51/50/181745150.db2.gz MJYYBSOPSYZNSJ-RHSMWYFYSA-N -1 0 314.362 3.285 50 0 DGAARM Cc1nn(Cc2ccc(Cl)cc2)c2nc(C)cc(C(=O)[O-])c12 ZINC000012394297 181756469 /nfs/dbraw/zinc/75/64/69/181756469.db2.gz LIWUKOYOBBJUTC-UHFFFAOYSA-N -1 0 315.760 3.448 50 0 DGAARM Cc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013175981 181836819 /nfs/dbraw/zinc/83/68/19/181836819.db2.gz BCIATAVGKZBNTN-GFCCVEGCSA-N -1 0 307.346 3.141 50 0 DGAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(F)cc(F)c1 ZINC000016101201 182034437 /nfs/dbraw/zinc/03/44/37/182034437.db2.gz NLAQDLFIMALTEW-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM CCOC(=O)c1c[n-]c2cc(OCc3ccccc3)ccc2c1=O ZINC000016124979 182035183 /nfs/dbraw/zinc/03/51/83/182035183.db2.gz AJFAAXMCFXOPOM-UHFFFAOYSA-N -1 0 323.348 3.284 50 0 DGAARM Cc1ccc(CSc2nnc(-c3ccccc3N)c(=O)[n-]2)cc1 ZINC000018194119 182097748 /nfs/dbraw/zinc/09/77/48/182097748.db2.gz KPGUJJUHYIGAGU-UHFFFAOYSA-N -1 0 324.409 3.427 50 0 DGAARM COc1ccc2c(c1)nc(SCC(=O)[O-])cc2C(F)(F)F ZINC000020120556 182189094 /nfs/dbraw/zinc/18/90/94/182189094.db2.gz AYOCBYXNSKSZMF-UHFFFAOYSA-N -1 0 317.288 3.439 50 0 DGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccc1-c1ccccc1 ZINC000020614978 182239731 /nfs/dbraw/zinc/23/97/31/182239731.db2.gz JKHSZHWGXOPTMF-UHFFFAOYSA-N -1 0 321.336 3.038 50 0 DGAARM COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)[O-] ZINC000023127144 182349056 /nfs/dbraw/zinc/34/90/56/182349056.db2.gz SJBWTUCBGAUSSF-UHFFFAOYSA-N -1 0 324.332 3.486 50 0 biogenic DGAARM CC[C@@](NC(=O)OCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000040546354 183099797 /nfs/dbraw/zinc/09/97/97/183099797.db2.gz IXFSEMHIQVBPOH-SFHVURJKSA-N -1 0 313.353 3.303 50 0 DGAARM CCc1sc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000043584147 183373229 /nfs/dbraw/zinc/37/32/29/183373229.db2.gz IWWQAVBASKXBBO-GFCCVEGCSA-N -1 0 309.431 3.336 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000229274 304229701 /nfs/dbraw/zinc/22/97/01/304229701.db2.gz RKGHGAVRUBBCTM-KOLCDFICSA-N -1 0 311.263 3.242 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1Cl ZINC000058308183 184103597 /nfs/dbraw/zinc/10/35/97/184103597.db2.gz QOMCGUDNJXXAIO-SMDDNHRTSA-N -1 0 307.777 3.328 50 0 DGAARM CCCn1cc(S(=O)(=O)[N-]c2ccccc2)c2cccnc21 ZINC000065242280 184317630 /nfs/dbraw/zinc/31/76/30/184317630.db2.gz VUTCJMZPTUCLOD-UHFFFAOYSA-N -1 0 315.398 3.247 50 0 DGAARM CCc1c(C)nc2c(-c3ccc(C)cc3)c(COC)[n-]n2c1=O ZINC000065362242 184328532 /nfs/dbraw/zinc/32/85/32/184328532.db2.gz REGGBVFVMXJLSS-UHFFFAOYSA-N -1 0 311.385 3.015 50 0 DGAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000238052666 304237311 /nfs/dbraw/zinc/23/73/11/304237311.db2.gz XBZVKLBCFBQACP-NWDGAFQWSA-N -1 0 315.291 3.236 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cn2)cc1Cl ZINC000079728964 304248153 /nfs/dbraw/zinc/24/81/53/304248153.db2.gz QVQGETLIYKPJJD-UHFFFAOYSA-N -1 0 311.124 3.339 50 0 DGAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccsc1)CC3 ZINC000006473269 304251699 /nfs/dbraw/zinc/25/16/99/304251699.db2.gz QVPWZIGSRDVWEA-XFFZJAGNSA-N -1 0 324.361 3.101 50 0 DGAARM O=C([O-])c1ccccc1S[C@H]1CCc2ccccc2NC1=O ZINC000020727212 304271494 /nfs/dbraw/zinc/27/14/94/304271494.db2.gz DMYSJFHOULWIDY-HNNXBMFYSA-N -1 0 313.378 3.430 50 0 DGAARM O=C([O-])c1cnc(OC2CCCCC2)c(Br)c1 ZINC000040447918 304278867 /nfs/dbraw/zinc/27/88/67/304278867.db2.gz MFXHNLLCABQTJH-UHFFFAOYSA-N -1 0 300.152 3.254 50 0 DGAARM O=S(=O)(Cc1ccccc1)[N-]c1ncc(C(F)(F)F)s1 ZINC000352855856 257236771 /nfs/dbraw/zinc/23/67/71/257236771.db2.gz BBAKPUAQMCHHTE-UHFFFAOYSA-N -1 0 322.333 3.104 50 0 DGAARM C/C(=C/C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236624199 257239525 /nfs/dbraw/zinc/23/95/25/257239525.db2.gz FKHKKMABZKHXDY-ZSMUJPCHSA-N -1 0 301.386 3.193 50 0 DGAARM COC(=O)c1cc(=O)c2cc(Cl)cc(Br)c2[n-]1 ZINC000038537385 292002604 /nfs/dbraw/zinc/00/26/04/292002604.db2.gz WCWUTFMDWMNPAF-UHFFFAOYSA-N -1 0 316.538 3.143 50 0 DGAARM Cc1ccc(C2=NN(c3ccc(C(=O)[O-])cc3)C(=O)CC2)s1 ZINC000013086999 134511047 /nfs/dbraw/zinc/51/10/47/134511047.db2.gz DVFMIKKZWPSVKK-UHFFFAOYSA-N -1 0 314.366 3.286 50 0 DGAARM CCS[C@@H]1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000097374646 400285290 /nfs/dbraw/zinc/28/52/90/400285290.db2.gz ZSEOKAWGUFAAIW-HTQZYQBOSA-N -1 0 319.348 3.214 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C\c2ccnn2CC2CC2)s1 ZINC000606445080 400913468 /nfs/dbraw/zinc/91/34/68/400913468.db2.gz WPPFXYUDWPFNBL-CIIODKQPSA-N -1 0 301.371 3.018 50 0 DGAARM Cc1cc(C(=O)NCCCCCC(=O)[O-])c2ccc(F)cc2n1 ZINC000195529632 400924173 /nfs/dbraw/zinc/92/41/73/400924173.db2.gz UPZOOPCLZDDNFY-UHFFFAOYSA-N -1 0 318.348 3.057 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000195552080 400924395 /nfs/dbraw/zinc/92/43/95/400924395.db2.gz AVRKSGPITMRFJH-BHYGNILZSA-N -1 0 315.413 3.202 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000195552076 400924606 /nfs/dbraw/zinc/92/46/06/400924606.db2.gz AVRKSGPITMRFJH-XIRDDKMYSA-N -1 0 315.413 3.202 50 0 DGAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1C ZINC000630277489 401231674 /nfs/dbraw/zinc/23/16/74/401231674.db2.gz DLTJCERRBRRZNA-OWCLPIDISA-N -1 0 301.386 3.019 50 0 DGAARM Cc1nc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)s1 ZINC000191020645 165227385 /nfs/dbraw/zinc/22/73/85/165227385.db2.gz AXZNEMDVZDQWGM-UHFFFAOYSA-N -1 0 304.371 3.029 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000190481425 432163205 /nfs/dbraw/zinc/16/32/05/432163205.db2.gz RFWMBDTYWANRMF-LBPRGKRZSA-N -1 0 317.316 3.023 50 0 DGAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000097035684 287384942 /nfs/dbraw/zinc/38/49/42/287384942.db2.gz OHIZMPYOYNXMHC-DIFFPNOSSA-N -1 0 303.358 3.296 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)nc1 ZINC000072265394 426010794 /nfs/dbraw/zinc/01/07/94/426010794.db2.gz MOAASDILQTXDMT-UHFFFAOYSA-N -1 0 320.414 3.116 50 0 DGAARM Cc1noc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1C ZINC000151387575 432243216 /nfs/dbraw/zinc/24/32/16/432243216.db2.gz DAMFMERUIYXLHE-UHFFFAOYSA-N -1 0 318.757 3.193 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)[O-])C1 ZINC000002513075 278395903 /nfs/dbraw/zinc/39/59/03/278395903.db2.gz SLWITFDUIZLEJL-GOSISDBHSA-N -1 0 319.401 3.331 50 0 DGAARM Cc1c(OCC(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000044206 431114761 /nfs/dbraw/zinc/11/47/61/431114761.db2.gz WBGUFVKWKXBGGO-UHFFFAOYSA-N -1 0 310.305 3.232 50 0 biogenic DGAARM Cc1ccc(-c2csc3ncn([C@H](C)C(=O)[O-])c(=O)c23)cc1 ZINC000000098473 431124953 /nfs/dbraw/zinc/12/49/53/431124953.db2.gz KMMVRUHCRDJKEY-SNVBAGLBSA-N -1 0 314.366 3.079 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000000111903 431127658 /nfs/dbraw/zinc/12/76/58/431127658.db2.gz IGPWUIOQJXROCG-UHFFFAOYSA-N -1 0 308.403 3.390 50 0 DGAARM CC(C)Cc1nnc(SCC(=O)[O-])n1[C@@H](C)c1ccccc1 ZINC000067879824 279250297 /nfs/dbraw/zinc/25/02/97/279250297.db2.gz UZIQUWOIPSKPHE-LBPRGKRZSA-N -1 0 319.430 3.263 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)c1C ZINC000000310703 431163034 /nfs/dbraw/zinc/16/30/34/431163034.db2.gz OJESLDTUBDTAQU-UHFFFAOYSA-N -1 0 310.806 3.461 50 0 DGAARM CSc1ccccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000000371848 431173437 /nfs/dbraw/zinc/17/34/37/431173437.db2.gz UQTOGQHLUONZDZ-OAACRXHESA-N -1 0 305.399 3.094 50 0 DGAARM Cc1nn(Cc2ccc(C(=O)[O-])cc2)c(C)c1Br ZINC000000508026 431194403 /nfs/dbraw/zinc/19/44/03/431194403.db2.gz RRGZDXPJSNTEEO-UHFFFAOYSA-N -1 0 309.163 3.009 50 0 DGAARM Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)cc1 ZINC000000271899 431158861 /nfs/dbraw/zinc/15/88/61/431158861.db2.gz MQXCBBAIUVFEKM-UHFFFAOYSA-N -1 0 321.258 3.422 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C)c1 ZINC000000289831 431159454 /nfs/dbraw/zinc/15/94/54/431159454.db2.gz BCVASKVMDGEDKG-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CCOc1ccc(C([O-])=CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000614881 431204810 /nfs/dbraw/zinc/20/48/10/431204810.db2.gz MDGGHUWMIWKJHF-UHFFFAOYSA-N -1 0 318.394 3.050 50 0 DGAARM CC(=O)Oc1ccc(-c2csc([N-]c3ncccn3)n2)cc1 ZINC000000613137 431205382 /nfs/dbraw/zinc/20/53/82/431205382.db2.gz UWTWBKQZUMPZLE-UHFFFAOYSA-N -1 0 312.354 3.269 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000863583 431209365 /nfs/dbraw/zinc/20/93/65/431209365.db2.gz GRMZYCXLXOODIA-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1nnc(SC(=Cc2cccc3ccccc23)C(=O)[O-])[nH]1 ZINC000001276075 431216624 /nfs/dbraw/zinc/21/66/24/431216624.db2.gz IXBUWKCTHLLDIG-NTEUORMPSA-N -1 0 311.366 3.484 50 0 DGAARM O=c1c2cc(Br)ccc2nc(-c2ccccc2)n1[O-] ZINC000001401805 431224028 /nfs/dbraw/zinc/22/40/28/431224028.db2.gz BDEXPOXRURNOLM-UHFFFAOYSA-N -1 0 317.142 3.063 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000001470741 431229846 /nfs/dbraw/zinc/22/98/46/431229846.db2.gz JQCNVNTWSJOMGP-AWEZNQCLSA-N -1 0 321.735 3.425 50 0 DGAARM CCCOc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1C ZINC000002093734 431245488 /nfs/dbraw/zinc/24/54/88/431245488.db2.gz QOFBBHGOBZQIMJ-UHFFFAOYSA-N -1 0 304.342 3.216 50 0 biogenic DGAARM O=C([O-])c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 ZINC000002336000 431248305 /nfs/dbraw/zinc/24/83/05/431248305.db2.gz XPPWBHFKFCPHJJ-UHFFFAOYSA-N -1 0 308.158 3.252 50 0 aggregator DGAARM CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002243548 431250042 /nfs/dbraw/zinc/25/00/42/431250042.db2.gz DJJSHFXWIZOOFF-LLVKDONJSA-N -1 0 313.781 3.108 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)Nc1cnc2ccccc2c1 ZINC000071279984 431276927 /nfs/dbraw/zinc/27/69/27/431276927.db2.gz AFCNEWMMZQPZSG-UHFFFAOYSA-N -1 0 306.321 3.114 50 0 DGAARM CCc1cc2c(cc1[O-])occ(-c1ccc3c(c1)OCO3)c2=O ZINC000003206973 431287466 /nfs/dbraw/zinc/28/74/66/431287466.db2.gz NYLAUQQLZPDQMB-UHFFFAOYSA-N -1 0 310.305 3.457 50 0 biogenic DGAARM C[C@@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 ZINC000003831616 431292287 /nfs/dbraw/zinc/29/22/87/431292287.db2.gz DWTTZBARDOXEAM-OCCSQVGLSA-N -1 0 322.401 3.291 50 0 endogenous,in-man DGAARM CC1=CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@H](C(=O)[O-])C1 ZINC000004713585 431301844 /nfs/dbraw/zinc/30/18/44/431301844.db2.gz VOKRAUZDTBXLAD-WDEREUQCSA-N -1 0 316.382 3.292 50 0 DGAARM O=C([O-])CCCCCNC(=O)CSc1ccc(Cl)cc1 ZINC000006322282 431314765 /nfs/dbraw/zinc/31/47/65/431314765.db2.gz HTBWIXWEDFZGHA-UHFFFAOYSA-N -1 0 315.822 3.193 50 0 DGAARM CC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)[O-] ZINC000006085700 431315925 /nfs/dbraw/zinc/31/59/25/431315925.db2.gz HVTWIDRZXOVYOX-SGTLLEGYSA-N -1 0 324.384 3.272 50 0 DGAARM O=S1(=O)[N-]C(SCc2ccccc2F)=Nc2ccccc21 ZINC000006918551 431325294 /nfs/dbraw/zinc/32/52/94/431325294.db2.gz HJTAOBTYHZRFCQ-UHFFFAOYSA-N -1 0 322.386 3.229 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000007402458 431345536 /nfs/dbraw/zinc/34/55/36/431345536.db2.gz XAXBMDGCDZIHHH-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM C[C@](CC(=O)Nc1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000008919154 431416757 /nfs/dbraw/zinc/41/67/57/431416757.db2.gz OHDFXYGMHZPZQL-QGZVFWFLSA-N -1 0 319.307 3.336 50 0 DGAARM COc1ccc(C)cc1[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000008984054 431417889 /nfs/dbraw/zinc/41/78/89/431417889.db2.gz LXXMBCMCXCDCND-CYBMUJFWSA-N -1 0 319.401 3.216 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2ncnc3ccccc32)cc1C ZINC000008132340 431381298 /nfs/dbraw/zinc/38/12/98/431381298.db2.gz HYXUULDSRAVNKQ-UHFFFAOYSA-N -1 0 313.382 3.047 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000008678522 431404789 /nfs/dbraw/zinc/40/47/89/431404789.db2.gz HQDIUXTYKJTJMO-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC(C)Oc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000010683946 431467829 /nfs/dbraw/zinc/46/78/29/431467829.db2.gz DDMFHZODDACATK-CHWSQXEVSA-N -1 0 305.374 3.303 50 0 DGAARM COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(C)cc1O ZINC000009217061 431427486 /nfs/dbraw/zinc/42/74/86/431427486.db2.gz ZSJYZPOCAWEQGC-UHFFFAOYSA-N -1 0 313.353 3.093 50 0 DGAARM CC(C)Oc1ccccc1Nc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000011905827 431487414 /nfs/dbraw/zinc/48/74/14/431487414.db2.gz FZNRFPHRXLWMQJ-UHFFFAOYSA-N -1 0 322.368 3.363 50 0 DGAARM O=C([O-])[C@H](Cc1ccccc1)S[C@@H]1OC(=O)c2ccccc21 ZINC000012274226 431499157 /nfs/dbraw/zinc/49/91/57/431499157.db2.gz MJYYBSOPSYZNSJ-YOEHRIQHSA-N -1 0 314.362 3.285 50 0 DGAARM O=C1[N-]C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000012428685 431506791 /nfs/dbraw/zinc/50/67/91/431506791.db2.gz VOCMXTZPAYRQDP-YRNVUSSQSA-N -1 0 322.242 3.146 50 0 DGAARM Cc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013175980 431549902 /nfs/dbraw/zinc/54/99/02/431549902.db2.gz BCIATAVGKZBNTN-LBPRGKRZSA-N -1 0 307.346 3.141 50 0 DGAARM O=c1cc([O-])c2sc(Nc3ccc(Cl)c(F)c3)nc2[nH]1 ZINC000013865128 431571734 /nfs/dbraw/zinc/57/17/34/431571734.db2.gz HPWJLFZZVAHRFO-UHFFFAOYSA-N -1 0 311.725 3.226 50 0 DGAARM O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1O ZINC000022191791 431632633 /nfs/dbraw/zinc/63/26/33/431632633.db2.gz IMZOQOWQBVRJGC-UHFFFAOYSA-N -1 0 311.259 3.221 50 0 DGAARM O=C(Cc1coc(-c2ccccc2)n1)[N-]OCc1ccccc1 ZINC000025285214 431650346 /nfs/dbraw/zinc/65/03/46/431650346.db2.gz KURLHGVDIZJMLW-UHFFFAOYSA-N -1 0 308.337 3.132 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1ccc(F)cc1C(F)(F)F ZINC000078556706 431682473 /nfs/dbraw/zinc/68/24/73/431682473.db2.gz RVJACLMOSRCKSJ-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM CN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080035975 431758681 /nfs/dbraw/zinc/75/86/81/431758681.db2.gz XHERSCSOWWWQAX-NSHDSACASA-N -1 0 319.788 3.307 50 0 DGAARM CCCC[C@H](CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000032945652 431803688 /nfs/dbraw/zinc/80/36/88/431803688.db2.gz XABFXQSMAACBNZ-NSHDSACASA-N -1 0 321.446 3.159 50 0 DGAARM O=C([O-])CCCCCCNC(=O)c1csc2c1CCCC2 ZINC000037411262 431847006 /nfs/dbraw/zinc/84/70/06/431847006.db2.gz NQJCKTPCCZADMG-UHFFFAOYSA-N -1 0 309.431 3.392 50 0 DGAARM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(C)s1 ZINC000037420639 431847100 /nfs/dbraw/zinc/84/71/00/431847100.db2.gz PYOFIPZIFZYYKI-CQSZACIVSA-N -1 0 303.383 3.311 50 0 DGAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000037435098 431847155 /nfs/dbraw/zinc/84/71/55/431847155.db2.gz YBPGNCLBIIWKLM-SNVBAGLBSA-N -1 0 307.346 3.038 50 0 DGAARM COCc1csc(NC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000089420393 431865227 /nfs/dbraw/zinc/86/52/27/431865227.db2.gz MLZDXRNRZYJWAT-UHFFFAOYSA-N -1 0 316.741 3.040 50 0 DGAARM COc1cc(C)sc1-c1nc(C2CCCC2)nn1CC(=O)[O-] ZINC000097772892 431975238 /nfs/dbraw/zinc/97/52/38/431975238.db2.gz COJGTOXQOMSCQA-UHFFFAOYSA-N -1 0 321.402 3.066 50 0 DGAARM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n(C)n1 ZINC000095969673 431929803 /nfs/dbraw/zinc/92/98/03/431929803.db2.gz WNBOKHAPISBMJK-UHFFFAOYSA-N -1 0 321.764 3.147 50 0 DGAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC=CCC2)cc1 ZINC000095989638 431932885 /nfs/dbraw/zinc/93/28/85/431932885.db2.gz IXSFNFXRUSIUOY-DZGCQCFKSA-N -1 0 319.426 3.397 50 0 DGAARM O=C(CSCc1cccnc1)Nc1cc(Cl)ccc1O ZINC000048919220 431933655 /nfs/dbraw/zinc/93/36/55/431933655.db2.gz JBRLSOQPOPUIDA-UHFFFAOYSA-N -1 0 308.790 3.313 50 0 DGAARM O=C([O-])C1CCC(NC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000049148271 431936914 /nfs/dbraw/zinc/93/69/14/431936914.db2.gz NPVHZRUNNOYIKS-UHFFFAOYSA-N -1 0 314.744 3.244 50 0 DGAARM O=C(Nc1ccccc1O)c1ccc(Br)cc1[O-] ZINC000049446907 431940146 /nfs/dbraw/zinc/94/01/46/431940146.db2.gz OOYFSDVMUYUFCB-UHFFFAOYSA-N -1 0 308.131 3.113 50 0 DGAARM O=C(NCc1ncccc1F)c1c([O-])cc(Cl)cc1Cl ZINC000096483792 431952755 /nfs/dbraw/zinc/95/27/55/431952755.db2.gz GASZBOOFYHHRAT-UHFFFAOYSA-N -1 0 315.131 3.163 50 0 DGAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccs1 ZINC000096479648 431952968 /nfs/dbraw/zinc/95/29/68/431952968.db2.gz VBFWOXNOOZQLDI-UWVGGRQHSA-N -1 0 309.412 3.245 50 0 DGAARM C[C@H](Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000097036167 431957306 /nfs/dbraw/zinc/95/73/06/431957306.db2.gz GGTJHZFLFFUZKK-SECBINFHSA-N -1 0 307.346 3.403 50 0 DGAARM C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000097080117 431959357 /nfs/dbraw/zinc/95/93/57/431959357.db2.gz KQLPZUSUOJMPEK-SECBINFHSA-N -1 0 307.733 3.030 50 0 DGAARM C[C@@H](c1ccco1)N(C(=O)Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000097231587 431965885 /nfs/dbraw/zinc/96/58/85/431965885.db2.gz QJWQJMYZKVWICV-LBPRGKRZSA-N -1 0 313.353 3.273 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000097231225 431966208 /nfs/dbraw/zinc/96/62/08/431966208.db2.gz CEVMXFXLGNRWDK-KKUMJFAQSA-N -1 0 313.353 3.024 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(C)s1 ZINC000054293740 431969848 /nfs/dbraw/zinc/96/98/48/431969848.db2.gz ZPDCIWBLNZMKJO-UHFFFAOYSA-N -1 0 307.400 3.042 50 0 DGAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccccc1C ZINC000100129966 431981172 /nfs/dbraw/zinc/98/11/72/431981172.db2.gz WJXCSEOMNYWHJE-UHFFFAOYSA-N -1 0 308.385 3.192 50 0 DGAARM CCOC(=O)c1c(=O)[nH]c2scc(-c3ccccc3)c2c1[O-] ZINC000057315552 431991566 /nfs/dbraw/zinc/99/15/66/431991566.db2.gz LHETVHCRYJKORD-UHFFFAOYSA-N -1 0 315.350 3.139 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000253369407 432391409 /nfs/dbraw/zinc/39/14/09/432391409.db2.gz CEVMXFXLGNRWDK-ILXRZTDVSA-N -1 0 313.353 3.024 50 0 DGAARM CC(C)(C)c1cc(C=NOCC(=O)[O-])cc(C(C)(C)C)c1O ZINC000254869778 432404909 /nfs/dbraw/zinc/40/49/09/432404909.db2.gz JTQNHNYLFZVFPQ-UHFFFAOYSA-N -1 0 307.390 3.422 50 0 DGAARM CC(=O)Nc1ccc(NC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000261595986 432432965 /nfs/dbraw/zinc/43/29/65/432432965.db2.gz ABNRWCFKQMJDPS-UHFFFAOYSA-N -1 0 310.781 3.354 50 0 DGAARM COc1cccc([C@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000262124028 432475617 /nfs/dbraw/zinc/47/56/17/432475617.db2.gz HAAXVLXDBOMJSP-DZGCQCFKSA-N -1 0 319.401 3.045 50 0 DGAARM C[C@@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000262795779 432501991 /nfs/dbraw/zinc/50/19/91/432501991.db2.gz QPWICQWYMLSZEW-ZJUUUORDSA-N -1 0 319.382 3.353 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(C(F)F)c1 ZINC000263519395 432552056 /nfs/dbraw/zinc/55/20/56/432552056.db2.gz GKNVMUBNWPDULP-ZDUSSCGKSA-N -1 0 311.328 3.484 50 0 DGAARM O=C([O-])c1cc2cc(NC(=O)COC3CCCC3)ccc2s1 ZINC000263242224 432528692 /nfs/dbraw/zinc/52/86/92/432528692.db2.gz LMSVJOSEWLJFFX-UHFFFAOYSA-N -1 0 319.382 3.497 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000195551086 432628408 /nfs/dbraw/zinc/62/84/08/432628408.db2.gz RDJYOJKWORSUMG-MGPQQGTHSA-N -1 0 315.394 3.102 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2cc3c(s2)CCC3)c2ccccc21 ZINC000177483341 432629966 /nfs/dbraw/zinc/62/99/66/432629966.db2.gz LWWTZPYCMVEVRC-LBPRGKRZSA-N -1 0 313.378 3.065 50 0 DGAARM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000095991815 288381591 /nfs/dbraw/zinc/38/15/91/288381591.db2.gz RIFFWZFPEQKPAW-JTQLQIEISA-N -1 0 305.355 3.189 50 0 DGAARM Cc1ccnc(NC(=O)C[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000226750988 432707775 /nfs/dbraw/zinc/70/77/75/432707775.db2.gz GDVUWQUUTQLPAM-NSHDSACASA-N -1 0 304.371 3.039 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 ZINC000227115049 432710267 /nfs/dbraw/zinc/71/02/67/432710267.db2.gz GOVACRHGHMRMSP-OAHLLOKOSA-N -1 0 315.344 3.091 50 0 DGAARM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000237283671 432784367 /nfs/dbraw/zinc/78/43/67/432784367.db2.gz BLBFFCOXANSIBJ-QGZVFWFLSA-N -1 0 309.365 3.014 50 0 DGAARM O=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)[O-])CCCC1 ZINC000314099613 434137200 /nfs/dbraw/zinc/13/72/00/434137200.db2.gz IQYYFGLSBOZRIP-UHFFFAOYSA-N -1 0 305.418 3.107 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000424223936 434661245 /nfs/dbraw/zinc/66/12/45/434661245.db2.gz IYPKVQZRGROUQE-GVDBMIGSSA-N -1 0 309.365 3.041 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000424223943 434662265 /nfs/dbraw/zinc/66/22/65/434662265.db2.gz IYPKVQZRGROUQE-YESZJQIVSA-N -1 0 309.365 3.041 50 0 DGAARM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(C(=O)[O-])co1 ZINC000262809460 297497102 /nfs/dbraw/zinc/49/71/02/297497102.db2.gz PAMFJRPVOOTGCO-NXEZZACHSA-N -1 0 317.316 3.265 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C\c1ccsc1)c1ccc(F)cc1 ZINC000492136187 434920879 /nfs/dbraw/zinc/92/08/79/434920879.db2.gz NDDNNYUNQDYROK-HFDGLISDSA-N -1 0 319.357 3.233 50 0 DGAARM O=C([O-])c1ccnc(/C=C\c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000548747091 435715872 /nfs/dbraw/zinc/71/58/72/435715872.db2.gz QQDCYSFQGQUKKQ-UPHRSURJSA-N -1 0 317.728 3.375 50 0 DGAARM C[C@@H](CN(C(=O)c1ccc(C(F)F)cc1F)C1CC1)C(=O)[O-] ZINC000656239005 435921424 /nfs/dbraw/zinc/92/14/24/435921424.db2.gz UCVXQHJAYURPMO-QMMMGPOBSA-N -1 0 315.291 3.089 50 0 DGAARM COCc1csc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000659160028 436470539 /nfs/dbraw/zinc/47/05/39/436470539.db2.gz FTIQYPLKDOZNEU-SNVBAGLBSA-N -1 0 319.382 3.335 50 0 DGAARM Cc1ccc2oc3nn(-c4ccc(C(=O)[O-])cc4)c(=O)c-3cc2c1 ZINC000033020937 301934977 /nfs/dbraw/zinc/93/49/77/301934977.db2.gz DDPZLAUSHIWQRD-UHFFFAOYSA-N -1 0 320.304 3.090 50 0 DGAARM Cc1nc2c3ccccc3oc2c(N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000000527473 302658618 /nfs/dbraw/zinc/65/86/18/302658618.db2.gz YJUCOSVGAORSMJ-GFCCVEGCSA-N -1 0 311.341 3.128 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)ccc1Cl ZINC000530157876 313327964 /nfs/dbraw/zinc/32/79/64/313327964.db2.gz WSHCKEWUQUAVSV-UHFFFAOYSA-N -1 0 323.805 3.117 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)n1 ZINC000153507763 323213495 /nfs/dbraw/zinc/21/34/95/323213495.db2.gz XWLVAIMYPSHLGE-UHFFFAOYSA-N -1 0 314.769 3.292 50 0 DGAARM Cc1ccc(-c2ccc(C(=O)[O-])c(N3CCSCC3)n2)s1 ZINC000299794675 534185627 /nfs/dbraw/zinc/18/56/27/534185627.db2.gz MJSWHSKDVHEKEQ-UHFFFAOYSA-N -1 0 320.439 3.370 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2cc3ccccc3o2)c2ccccc21 ZINC000177478946 534538672 /nfs/dbraw/zinc/53/86/72/534538672.db2.gz MGXDPZHTQAQMEO-ZDUSSCGKSA-N -1 0 307.305 3.261 50 0 DGAARM Cc1ccc2c(c1)scc2C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000263008333 526221668 /nfs/dbraw/zinc/22/16/68/526221668.db2.gz MXOZRSXWCKRDGH-SNVBAGLBSA-N -1 0 313.325 3.048 50 0 DGAARM O=C1[N-][C@@H](C(Cl)(Cl)Cl)O[C@@H]1C(Cl)(Cl)Cl ZINC000071766989 545708351 /nfs/dbraw/zinc/70/83/51/545708351.db2.gz PMRPYKMXVGTYRU-BIZFKFMOSA-N -1 0 321.802 3.408 50 0 DGAARM O=C([O-])c1cc(-c2ccc(Br)cc2Cl)[nH]n1 ZINC000116929796 545874933 /nfs/dbraw/zinc/87/49/33/545874933.db2.gz BYQPWLRKPKKYMZ-UHFFFAOYSA-N -1 0 301.527 3.191 50 0 DGAARM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000668275184 547434028 /nfs/dbraw/zinc/43/40/28/547434028.db2.gz URVGPPVRICXGFN-OCCSQVGLSA-N -1 0 305.374 3.227 50 0 DGAARM O=C1[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000670415937 547751823 /nfs/dbraw/zinc/75/18/23/547751823.db2.gz PNYYMVYWSQMOEW-WDZFZDKYSA-N -1 0 323.135 3.434 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc21 ZINC000679102043 548830157 /nfs/dbraw/zinc/83/01/57/548830157.db2.gz SIEWVFLVSMJLQV-HOTGVXAUSA-N -1 0 315.413 3.352 50 0 DGAARM Cc1noc(C)c1C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000170045536 575284384 /nfs/dbraw/zinc/28/43/84/575284384.db2.gz RHSVZYFJCLSRDN-JTQLQIEISA-N -1 0 316.357 3.115 50 0 DGAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1)c3[O-] ZINC000200452150 575936956 /nfs/dbraw/zinc/93/69/56/575936956.db2.gz WLQCSUXKVDWJTR-NSHDSACASA-N -1 0 320.348 3.077 50 0 DGAARM CCc1cnc(N2CCC(c3cccc(C(=O)[O-])c3)CC2)nc1 ZINC000261508783 618732385 /nfs/dbraw/zinc/73/23/85/618732385.db2.gz WXCMCUJGKPATDO-UHFFFAOYSA-N -1 0 311.385 3.121 50 0 DGAARM CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000116929520 621318341 /nfs/dbraw/zinc/31/83/41/621318341.db2.gz YRTZOXYJINOWPA-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM O=C([O-])/C=C\CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000103620550 627387458 /nfs/dbraw/zinc/38/74/58/627387458.db2.gz OCCPQLFLKOLWRZ-IWQZZHSRSA-N -1 0 312.325 3.188 50 0 DGAARM Cc1cc([O-])c(C2=NCCS[C@@H](c3ccsc3)C2)c(=O)o1 ZINC000000198618 658281087 /nfs/dbraw/zinc/28/10/87/658281087.db2.gz YALIGXAHTOBHLV-CYBMUJFWSA-N -1 0 321.423 3.383 50 0 DGAARM COc1ccc(F)cc1-c1cc(C(=O)[O-])c(N)c2cccnc21 ZINC001506423780 1186226350 /nfs/dbraw/zinc/22/63/50/1186226350.db2.gz JNHCIMMCYJINKQ-UHFFFAOYSA-N -1 0 312.300 3.330 50 0 DGAARM O=C([O-])c1c(NCC2(O)CCCCC2)noc1-c1ccccc1 ZINC001704309858 1202520220 /nfs/dbraw/zinc/52/02/20/1202520220.db2.gz STAGHLPUUYULKJ-UHFFFAOYSA-N -1 0 316.357 3.147 50 0 DGAARM COc1cc(-c2onc(NCC3CCC3)c2C(=O)[O-])ccc1F ZINC001704314267 1202520451 /nfs/dbraw/zinc/52/04/51/1202520451.db2.gz OILIVXBIKYALTD-UHFFFAOYSA-N -1 0 320.320 3.400 50 0 DGAARM Cn1ncc(C2CC2)c1/C=C/c1ncc(/C=C/C(=O)[O-])s1 ZINC000585091654 1094994233 /nfs/dbraw/zinc/99/42/33/1094994233.db2.gz IKJHWZBITXHTLO-HVUXDCMCSA-N -1 0 301.371 3.022 50 0 DGAARM Cc1cccc(OC2CCN(c3cccc(C(=O)[O-])n3)CC2)c1 ZINC000095509881 185376320 /nfs/dbraw/zinc/37/63/20/185376320.db2.gz IQHKOPQJIXRGLV-UHFFFAOYSA-N -1 0 312.369 3.136 50 0 DGAARM COc1c(Cl)cc(NC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000078813857 185113443 /nfs/dbraw/zinc/11/34/43/185113443.db2.gz CLQZARLQRKIGPR-UHFFFAOYSA-N -1 0 320.172 3.441 50 0 DGAARM CCc1noc(CC)c1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000088375601 185247626 /nfs/dbraw/zinc/24/76/26/185247626.db2.gz HRYAEURLIZGOLD-UHFFFAOYSA-N -1 0 308.765 3.340 50 0 DGAARM CSc1ccccc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006742589 295684486 /nfs/dbraw/zinc/68/44/86/295684486.db2.gz LKLDANCDBVFSSK-RLNQVHQUSA-N -1 0 319.426 3.484 50 0 DGAARM O=C([O-])/C=C\c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000096936608 185393093 /nfs/dbraw/zinc/39/30/93/185393093.db2.gz CAIAEYHFMIRIGO-YFHOEESVSA-N -1 0 320.348 3.447 50 0 DGAARM CCc1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000097016186 185397641 /nfs/dbraw/zinc/39/76/41/185397641.db2.gz ORDINCJJQRHZTM-UHFFFAOYSA-N -1 0 310.762 3.309 50 0 DGAARM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000097018504 185397757 /nfs/dbraw/zinc/39/77/57/185397757.db2.gz NKSGXCIMLYSTAW-NSHDSACASA-N -1 0 303.383 3.208 50 0 DGAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000097018292 185397784 /nfs/dbraw/zinc/39/77/84/185397784.db2.gz QDAHNAWFDDRWQF-IAQYHMDHSA-N -1 0 301.317 3.018 50 0 DGAARM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000097018519 185398092 /nfs/dbraw/zinc/39/80/92/185398092.db2.gz NRDLZKDGFTUPGM-GFCCVEGCSA-N -1 0 315.344 3.286 50 0 DGAARM Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(F)c1 ZINC000097032935 185399695 /nfs/dbraw/zinc/39/96/95/185399695.db2.gz FVWOUDNTKZKXOK-LBPRGKRZSA-N -1 0 307.365 3.097 50 0 DGAARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C)c1 ZINC000097015447 539434249 /nfs/dbraw/zinc/43/42/49/539434249.db2.gz KHNWWWUKIUYIJB-UHFFFAOYSA-N -1 0 324.789 3.047 50 0 DGAARM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc([O-])c(Cl)c1 ZINC000072287603 191105698 /nfs/dbraw/zinc/10/56/98/191105698.db2.gz PAEUVQFXABYLHR-UHFFFAOYSA-N -1 0 314.732 3.083 50 0 DGAARM Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cnn1C1CCCC1 ZINC000194230347 186270873 /nfs/dbraw/zinc/27/08/73/186270873.db2.gz LCFCQRDXRKLKBO-UHFFFAOYSA-N -1 0 323.393 3.247 50 0 DGAARM O=C([O-])/C=C/c1c(Br)cc(F)cc1Br ZINC000263622982 304023373 /nfs/dbraw/zinc/02/33/73/304023373.db2.gz CPUQMTFMIPPPDB-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM CC(C)(C)OC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000000128432 180702363 /nfs/dbraw/zinc/70/23/63/180702363.db2.gz XRMSYCMCKRUWJD-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000000442465 180792361 /nfs/dbraw/zinc/79/23/61/180792361.db2.gz BBDZWTQRGQMMID-UHFFFAOYSA-N -1 0 318.398 3.122 50 0 DGAARM CCc1ccccc1OC1CN(Cc2ccccc2C(=O)[O-])C1 ZINC000067559319 432032577 /nfs/dbraw/zinc/03/25/77/432032577.db2.gz DBBDYLXLDOREFW-UHFFFAOYSA-N -1 0 311.381 3.210 50 0 DGAARM O=C([O-])[C@@H]1CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002379448 180921787 /nfs/dbraw/zinc/92/17/87/180921787.db2.gz BXRZCDISGRVJCA-KRWDZBQOSA-N -1 0 323.348 3.094 50 0 DGAARM COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[O-])c1 ZINC000003394893 181014777 /nfs/dbraw/zinc/01/47/77/181014777.db2.gz PWDYHCRMKJBQHC-UHFFFAOYSA-N -1 0 312.300 3.385 50 0 DGAARM Cc1ccc(N2C(=O)C[C@@H](C(=O)[O-])[C@@H]2c2cccs2)cc1 ZINC000003888162 181052853 /nfs/dbraw/zinc/05/28/53/181052853.db2.gz PRTGINCKDPPNSZ-IUODEOHRSA-N -1 0 301.367 3.235 50 0 DGAARM O=C([O-])[C@H](NC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000003898779 181054355 /nfs/dbraw/zinc/05/43/55/181054355.db2.gz YLIATHIMWAKTQI-IAHCOWJPSA-N -1 0 319.426 3.148 50 0 biogenic DGAARM CCc1ccc([C@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000004014660 181062303 /nfs/dbraw/zinc/06/23/03/181062303.db2.gz YBABIICYXRRHAQ-KRWDZBQOSA-N -1 0 309.365 3.421 50 0 DGAARM O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000004110206 181074614 /nfs/dbraw/zinc/07/46/14/181074614.db2.gz BZYPJYMCKWWCSL-RRQGHBQHSA-N -1 0 323.348 3.024 50 0 DGAARM CCCOc1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004811298 181155473 /nfs/dbraw/zinc/15/54/73/181155473.db2.gz OKBAIJIGUUHBPX-QWHCGFSZSA-N -1 0 303.358 3.081 50 0 DGAARM Cc1ccc(CSc2nc3[nH]c(=O)cc([O-])c3s2)cc1 ZINC000004945353 181177649 /nfs/dbraw/zinc/17/76/49/181177649.db2.gz NUXAXZIENHTZJQ-UHFFFAOYSA-N -1 0 304.396 3.291 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3ccc(C)cc3)[n-]c2=O)cc1 ZINC000005154347 181210726 /nfs/dbraw/zinc/21/07/26/181210726.db2.gz MENUNEWHZOCQEH-UHFFFAOYSA-N -1 0 306.369 3.116 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000005154402 181210844 /nfs/dbraw/zinc/21/08/44/181210844.db2.gz PJFBWQOEAQPMLO-UHFFFAOYSA-N -1 0 320.396 3.425 50 0 DGAARM CCc1nc2c3ccccc3oc2c(N[C@H](C(=O)[O-])C(C)C)n1 ZINC000005163509 181212661 /nfs/dbraw/zinc/21/26/61/181212661.db2.gz OMWQDYVEJGUUNB-ZDUSSCGKSA-N -1 0 313.357 3.460 50 0 DGAARM O=C([O-])c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000005375241 181235691 /nfs/dbraw/zinc/23/56/91/181235691.db2.gz OJPHTWWRSTZPNC-UHFFFAOYSA-N -1 0 306.705 3.388 50 0 DGAARM Cc1c2ccc(OCc3ccccc3)cc2oc(=O)c1CC(=O)[O-] ZINC000005442813 181243774 /nfs/dbraw/zinc/24/37/74/181243774.db2.gz UWOHGKUPYPAKMQ-UHFFFAOYSA-N -1 0 324.332 3.308 50 0 DGAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000237971895 304051106 /nfs/dbraw/zinc/05/11/06/304051106.db2.gz KWHPTTYHMFAYIC-VHSXEESVSA-N -1 0 316.184 3.078 50 0 DGAARM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000005582740 181260332 /nfs/dbraw/zinc/26/03/32/181260332.db2.gz RMWNZLUJGMUPHA-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1CCC(F)(F)CC1 ZINC000179234162 199002239 /nfs/dbraw/zinc/00/22/39/199002239.db2.gz WABVZTPUEVZSFO-UHFFFAOYSA-N -1 0 311.328 3.169 50 0 DGAARM COc1cccc([C@@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000237319189 202230501 /nfs/dbraw/zinc/23/05/01/202230501.db2.gz XEEZMQWGBMMPTE-HNNXBMFYSA-N -1 0 319.401 3.250 50 0 DGAARM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237767445 202351344 /nfs/dbraw/zinc/35/13/44/202351344.db2.gz AUFXMHCJFLPHBO-INIZCTEOSA-N -1 0 321.373 3.286 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C/C=C/c1cccc(F)c1 ZINC000238219290 202449897 /nfs/dbraw/zinc/44/98/97/202449897.db2.gz ZITXUSMQFLEHJL-NBUZRDOWSA-N -1 0 319.376 3.475 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCCC[C@H]1c1ncon1 ZINC000189632953 200429772 /nfs/dbraw/zinc/42/97/72/200429772.db2.gz FUFDWWAKHAHYSS-LBPRGKRZSA-N -1 0 321.764 3.186 50 0 DGAARM CC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000006168314 181317382 /nfs/dbraw/zinc/31/73/82/181317382.db2.gz QTSNAOXHHDBVOD-JYJNAYRXSA-N -1 0 301.386 3.229 50 0 DGAARM O=C([O-])c1cc(N2C(=S)N=NC2c2ccco2)ccc1Cl ZINC000006659223 181366570 /nfs/dbraw/zinc/36/65/70/181366570.db2.gz DLDUUOWBYDGZIO-UHFFFAOYSA-N -1 0 321.745 3.168 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCC2 ZINC000006668230 181368030 /nfs/dbraw/zinc/36/80/30/181368030.db2.gz OHULBSIEGVKYJM-HOTGVXAUSA-N -1 0 301.386 3.395 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006706552 181375390 /nfs/dbraw/zinc/37/53/90/181375390.db2.gz GUDZLYXDUAMNIX-UHFFFAOYSA-N -1 0 313.325 3.083 50 0 DGAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C)cc1C ZINC000006707026 181375756 /nfs/dbraw/zinc/37/57/56/181375756.db2.gz XNBKECBYOCLCOW-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM COc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000006725472 181377552 /nfs/dbraw/zinc/37/75/52/181377552.db2.gz XIZPFOWKDJSSFF-UHFFFAOYSA-N -1 0 316.313 3.046 50 0 DGAARM CC1=C(C)C[C@H](C(=O)NCc2cccc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000006741453 181380434 /nfs/dbraw/zinc/38/04/34/181380434.db2.gz RSJLGIHYIKURGX-GJZGRUSLSA-N -1 0 321.804 3.403 50 0 DGAARM Cc1sc(NC(=O)/C=C/C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000006796297 181390258 /nfs/dbraw/zinc/39/02/58/181390258.db2.gz POHNOARJEBPRAL-VOTSOKGWSA-N -1 0 322.773 3.351 50 0 DGAARM O=C([O-])C1(NC(=O)[C@H](c2ccccc2)C2CCCC2)CCCC1 ZINC000215445891 201461142 /nfs/dbraw/zinc/46/11/42/201461142.db2.gz ZLFVNUCPZWXQJZ-MRXNPFEDSA-N -1 0 315.413 3.474 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221733712 201592298 /nfs/dbraw/zinc/59/22/98/201592298.db2.gz SZHIQMHPAWRCRO-MJBXVCDLSA-N -1 0 321.442 3.263 50 0 DGAARM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2cc(C)ccc2Cl)on1 ZINC000095383803 193441212 /nfs/dbraw/zinc/44/12/12/193441212.db2.gz KCZJYJOZBSJGGJ-CQSZACIVSA-N -1 0 308.765 3.203 50 0 DGAARM Cc1cccnc1C[C@H](C)n1cc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000095380694 193439622 /nfs/dbraw/zinc/43/96/22/193439622.db2.gz AOBDWHDXCOLICS-ZDUSSCGKSA-N -1 0 322.368 3.150 50 0 DGAARM O=C([O-])[C@@H](CNC(=O)c1ccco1)Cc1ccc2ccccc2c1 ZINC000096480554 193663674 /nfs/dbraw/zinc/66/36/74/193663674.db2.gz FTYZQURNGCCSRG-MRXNPFEDSA-N -1 0 323.348 3.106 50 0 DGAARM CCCOc1ccc(CC2C(=O)N=C(SC)N=C2[O-])cc1C ZINC000009335010 181615693 /nfs/dbraw/zinc/61/56/93/181615693.db2.gz MFHNFKIOQGPREH-UHFFFAOYSA-N -1 0 320.414 3.298 50 0 DGAARM Cc1cccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000013185471 181837460 /nfs/dbraw/zinc/83/74/60/181837460.db2.gz PZZBHMITQVQDQE-UHFFFAOYSA-N -1 0 323.392 3.254 50 0 DGAARM CC(C)(C)c1nnc(Nc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000017966905 182088690 /nfs/dbraw/zinc/08/86/90/182088690.db2.gz PMCWYOVYQSWOFB-UHFFFAOYSA-N -1 0 312.295 3.225 50 0 DGAARM O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000001383806 304176203 /nfs/dbraw/zinc/17/62/03/304176203.db2.gz WFSJXMMBWGEBAN-RDJZCZTQSA-N -1 0 301.386 3.384 50 0 DGAARM CC[C@H](Sc1nc(C)c(Cc2ccccc2)c(=O)[nH]1)C(=O)[O-] ZINC000020029258 182181306 /nfs/dbraw/zinc/18/13/06/182181306.db2.gz HDXVIKANZQATQE-ZDUSSCGKSA-N -1 0 318.398 3.037 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020457880 182220207 /nfs/dbraw/zinc/22/02/07/182220207.db2.gz QOKVGTIULANHBW-UHFFFAOYSA-N -1 0 322.723 3.499 50 0 DGAARM CC(C)CC(=O)Nc1ccc2nc(SCC(=O)[O-])sc2c1 ZINC000020895351 182252183 /nfs/dbraw/zinc/25/21/83/182252183.db2.gz FWSQRFXGHGONER-UHFFFAOYSA-N -1 0 324.427 3.458 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017055070 304181372 /nfs/dbraw/zinc/18/13/72/304181372.db2.gz WRINOZNASHQYFE-AQLLNRKPSA-N -1 0 319.445 3.210 50 0 DGAARM O=C(c1cnc2cc(-c3ccccc3)nn2c1)c1ccccc1[O-] ZINC000021729193 182286972 /nfs/dbraw/zinc/28/69/72/182286972.db2.gz CEVRZCUAGCSQQC-UHFFFAOYSA-N -1 0 315.332 3.333 50 0 DGAARM Cc1cc(COc2ccc(C(=O)[O-])cc2Br)on1 ZINC000039947529 183022852 /nfs/dbraw/zinc/02/28/52/183022852.db2.gz WFJRSMVFXHOEJP-UHFFFAOYSA-N -1 0 312.119 3.023 50 0 DGAARM Cc1ccc(/C=C\S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000042652975 183294527 /nfs/dbraw/zinc/29/45/27/183294527.db2.gz XGFQMDJYJHPWLB-KHPPLWFESA-N -1 0 317.366 3.106 50 0 DGAARM CCc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)sc1C ZINC000043589714 183373928 /nfs/dbraw/zinc/37/39/28/183373928.db2.gz KMSADMDHWOBUKB-LBPRGKRZSA-N -1 0 309.431 3.336 50 0 DGAARM CCC(=O)Nc1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000046053365 183547311 /nfs/dbraw/zinc/54/73/11/183547311.db2.gz SWIQVEKVMNBFLK-UHFFFAOYSA-N -1 0 312.369 3.370 50 0 DGAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC000154905045 197004399 /nfs/dbraw/zinc/00/43/99/197004399.db2.gz FOHYQFHIEGKASQ-ZETCQYMHSA-N -1 0 302.157 3.035 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000050921380 183807841 /nfs/dbraw/zinc/80/78/41/183807841.db2.gz FQUOQZKJTPDKDN-NSHDSACASA-N -1 0 313.756 3.339 50 0 DGAARM O=C([O-])c1cc(Cl)ccc1[C@@H]1Nc2ccccc2C(=O)O1 ZINC000004710270 304224588 /nfs/dbraw/zinc/22/45/88/304224588.db2.gz QGJTZCGEGQYTAR-CYBMUJFWSA-N -1 0 303.701 3.319 50 0 DGAARM Cc1cn(C)c(CC(=O)Nc2ccc(Cl)cc2C)c1C(=O)[O-] ZINC000064980614 184307602 /nfs/dbraw/zinc/30/76/02/184307602.db2.gz YEQXPMUAKMJYGZ-UHFFFAOYSA-N -1 0 320.776 3.175 50 0 DGAARM CCc1cccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)c1 ZINC000065215223 184314750 /nfs/dbraw/zinc/31/47/50/184314750.db2.gz MRUICIDWTVOOIG-UHFFFAOYSA-N -1 0 314.366 3.110 50 0 DGAARM CN(C)c1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000064589121 184300988 /nfs/dbraw/zinc/30/09/88/184300988.db2.gz NVTQPPDTEDRXFW-UHFFFAOYSA-N -1 0 318.760 3.357 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cn1 ZINC000237975250 304233498 /nfs/dbraw/zinc/23/34/98/304233498.db2.gz XTVMQBQYZGDSRZ-CQSZACIVSA-N -1 0 314.341 3.130 50 0 DGAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000012411968 285160221 /nfs/dbraw/zinc/16/02/21/285160221.db2.gz NQDLNGBTEVMHRV-YPMHNXCESA-N -1 0 316.184 3.378 50 0 DGAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccccc2)no1 ZINC000015678952 285228503 /nfs/dbraw/zinc/22/85/03/285228503.db2.gz QWYNUESPBJXABI-UHFFFAOYSA-N -1 0 306.277 3.216 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000239030659 257234523 /nfs/dbraw/zinc/23/45/23/257234523.db2.gz CEHUAPDITCBLMG-NUEKZKHPSA-N -1 0 303.402 3.372 50 0 DGAARM COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000238773059 257260140 /nfs/dbraw/zinc/26/01/40/257260140.db2.gz TWVUUWMGOMIING-WNKDZCFJSA-N -1 0 310.349 3.058 50 0 DGAARM CC1(C)CC(=O)C2=C(C1)Oc1[n-][nH]c(=O)c1[C@@H]2c1cccs1 ZINC000004391253 400085268 /nfs/dbraw/zinc/08/52/68/400085268.db2.gz QPYDQSQGXDABNV-GFCCVEGCSA-N -1 0 316.382 3.344 50 0 DGAARM O=C([O-])c1c(Cl)nc(Br)n1-c1ccc(F)cc1 ZINC000069949634 400349378 /nfs/dbraw/zinc/34/93/78/400349378.db2.gz ARVODKCSKGGHNC-UHFFFAOYSA-N -1 0 319.517 3.126 50 0 DGAARM O=c1nc(-c2cc(-c3cccc(C(F)(F)F)c3)ccn2)[n-]o1 ZINC000117578589 400419862 /nfs/dbraw/zinc/41/98/62/400419862.db2.gz WZSACKKOTHLZHT-UHFFFAOYSA-N -1 0 307.231 3.111 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000043589671 400472554 /nfs/dbraw/zinc/47/25/54/400472554.db2.gz ATVFOXAOJXLEMV-MRVPVSSYSA-N -1 0 319.188 3.039 50 0 DGAARM C[C@@H](C#N)Oc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000170621139 400767374 /nfs/dbraw/zinc/76/73/74/400767374.db2.gz BBVMOUUKDMJDRX-GXWOQWCDSA-N -1 0 319.320 3.113 50 0 DGAARM O=C([O-])Cc1csc(NC(=O)CC/C=C/c2ccccc2)n1 ZINC000170671086 400769564 /nfs/dbraw/zinc/76/95/64/400769564.db2.gz ZERUUJSGCRYGJP-XBXARRHUSA-N -1 0 316.382 3.202 50 0 DGAARM COc1ccc(-c2oc3cc(C)[nH]c(=O)c3c2CC(=O)[O-])cc1 ZINC000604405108 400773623 /nfs/dbraw/zinc/77/36/23/400773623.db2.gz WTRBITOSOQZNCV-UHFFFAOYSA-N -1 0 313.309 3.145 50 0 biogenic DGAARM O=C([O-])/C=C\c1cnc(/C=C/c2ccnn2CC2CC2)s1 ZINC000606445082 400914729 /nfs/dbraw/zinc/91/47/29/400914729.db2.gz WPPFXYUDWPFNBL-UZNMPDEFSA-N -1 0 301.371 3.018 50 0 DGAARM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000195551717 400924399 /nfs/dbraw/zinc/92/43/99/400924399.db2.gz GHLBBMQGDUXXFK-MRVPVSSYSA-N -1 0 309.268 3.089 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000248248854 401068390 /nfs/dbraw/zinc/06/83/90/401068390.db2.gz KXIHXGDYXGUWMP-FPMFFAJLSA-N -1 0 313.353 3.277 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000248248855 401068525 /nfs/dbraw/zinc/06/85/25/401068525.db2.gz KXIHXGDYXGUWMP-IACUBPJLSA-N -1 0 313.353 3.277 50 0 DGAARM O=C([O-])C[C@H]1CCCCN1C(=O)CC1CCC(F)(F)CC1 ZINC000630159290 401204588 /nfs/dbraw/zinc/20/45/88/401204588.db2.gz XTVPKYSXNUVBNG-GFCCVEGCSA-N -1 0 303.349 3.058 50 0 DGAARM CC1(C)CCC(C)(C)N(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000630236283 401223244 /nfs/dbraw/zinc/22/32/44/401223244.db2.gz OVQLCJOARQUYIX-UHFFFAOYSA-N -1 0 319.401 3.191 50 0 DGAARM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccsc1 ZINC000630291136 401235129 /nfs/dbraw/zinc/23/51/29/401235129.db2.gz LVRLJVZHENVMSQ-NSHDSACASA-N -1 0 303.383 3.256 50 0 DGAARM O=C([O-])CCNC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000238189926 165448757 /nfs/dbraw/zinc/44/87/57/165448757.db2.gz LCZXNCDMNZNFAQ-UHFFFAOYSA-N -1 0 315.394 3.183 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000299742783 229379667 /nfs/dbraw/zinc/37/96/67/229379667.db2.gz KGWGBCZPVKXFAP-CYBMUJFWSA-N -1 0 311.337 3.026 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C\C1CC1)c1ccc(Cl)c(F)c1 ZINC000221727896 263837381 /nfs/dbraw/zinc/83/73/81/263837381.db2.gz UFIXDGWROLAAAU-ACVFHECNSA-N -1 0 311.740 3.077 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000000029679 425530012 /nfs/dbraw/zinc/53/00/12/425530012.db2.gz MBEXSWQSTRFSFD-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2cccc(COC(C)C)c2)c1 ZINC000072265386 426010495 /nfs/dbraw/zinc/01/04/95/426010495.db2.gz XRSYVGYAHPYALP-UHFFFAOYSA-N -1 0 320.414 3.116 50 0 DGAARM CC(=O)c1cccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])c1 ZINC000004724909 278251161 /nfs/dbraw/zinc/25/11/61/278251161.db2.gz WOIGSWDJDIGQSS-KBPBESRZSA-N -1 0 321.760 3.061 50 0 DGAARM Cc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000000105133 278862492 /nfs/dbraw/zinc/86/24/92/278862492.db2.gz AATJFFJZXDUIAL-IAGOWNOFSA-N -1 0 306.365 3.165 50 0 biogenic DGAARM O=C([O-])CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000095518 431123686 /nfs/dbraw/zinc/12/36/86/431123686.db2.gz WPLOAXKRIROSCH-UHFFFAOYSA-N -1 0 310.762 3.267 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000000111365 431128543 /nfs/dbraw/zinc/12/85/43/431128543.db2.gz XIFHPBKRESAKGU-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cccs1 ZINC000000134691 431132123 /nfs/dbraw/zinc/13/21/23/431132123.db2.gz FNFOTOZOKGSXRV-UHFFFAOYSA-N -1 0 305.327 3.150 50 0 DGAARM N#CCc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000000148573 431133389 /nfs/dbraw/zinc/13/33/89/431133389.db2.gz QDOZGADLUXKUOW-UHFFFAOYSA-N -1 0 300.358 3.116 50 0 DGAARM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000159352 431136625 /nfs/dbraw/zinc/13/66/25/431136625.db2.gz RKLNYXBGSUTCSH-NSHDSACASA-N -1 0 304.173 3.223 50 0 DGAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1 ZINC000000314296 431166333 /nfs/dbraw/zinc/16/63/33/431166333.db2.gz PHTGBGXBBKUBGF-WMLDXEAASA-N -1 0 311.381 3.197 50 0 DGAARM O=S(=O)([N-]c1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000000367775 431172945 /nfs/dbraw/zinc/17/29/45/431172945.db2.gz VUQPFVRAPJQSOW-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)[O-] ZINC000000400391 431176090 /nfs/dbraw/zinc/17/60/90/431176090.db2.gz URYHZOOIDDGVTP-OPQOLIRYSA-N -1 0 322.360 3.158 50 0 DGAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(Br)c1 ZINC000000401929 431176117 /nfs/dbraw/zinc/17/61/17/431176117.db2.gz NIHXTMWRAWJTCR-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000000470332 431188881 /nfs/dbraw/zinc/18/88/81/431188881.db2.gz YTGSMJOYEXDABL-UHFFFAOYSA-N -1 0 321.398 3.203 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000000471041 431191014 /nfs/dbraw/zinc/19/10/14/431191014.db2.gz BHRFCCYRRPUWJS-UHFFFAOYSA-N -1 0 321.398 3.203 50 0 DGAARM Cc1ccc2nc(N[C@H](C)C(=O)[O-])nc(-c3ccccc3)c2c1 ZINC000000520143 431195463 /nfs/dbraw/zinc/19/54/63/431195463.db2.gz CPURVBANMAQXJZ-GFCCVEGCSA-N -1 0 307.353 3.490 50 0 DGAARM Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000000237520 431151902 /nfs/dbraw/zinc/15/19/02/431151902.db2.gz IVFHNSFOAQCNAM-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000000249382 431153873 /nfs/dbraw/zinc/15/38/73/431153873.db2.gz MMJOVSNRWRTEMU-UHFFFAOYSA-N -1 0 303.792 3.211 50 0 DGAARM O=C([O-])CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000268084 431157471 /nfs/dbraw/zinc/15/74/71/431157471.db2.gz JISYUXULRDZARX-UHFFFAOYSA-N -1 0 320.317 3.401 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000002572723 431257366 /nfs/dbraw/zinc/25/73/66/431257366.db2.gz XHNLLTGZBXJRGH-GFCCVEGCSA-N -1 0 313.781 3.251 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000002583473 431257374 /nfs/dbraw/zinc/25/73/74/431257374.db2.gz MQCLXWDVGKUKHB-CQSZACIVSA-N -1 0 301.342 3.490 50 0 DGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000000583221 431204109 /nfs/dbraw/zinc/20/41/09/431204109.db2.gz ULWBCRGTGPSFDL-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM Oc1ccccc1C(=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000000620025 431207312 /nfs/dbraw/zinc/20/73/12/431207312.db2.gz VKFJMIRGTPPHEN-UHFFFAOYSA-N -1 0 316.401 3.029 50 0 DGAARM COc1ccc(Cl)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000001640169 431234145 /nfs/dbraw/zinc/23/41/45/431234145.db2.gz KBHOWWNGDMGYRD-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000002468992 431251275 /nfs/dbraw/zinc/25/12/75/431251275.db2.gz YKXCZGZEZFUISQ-RYUDHWBXSA-N -1 0 309.159 3.299 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2ccccc2)C1 ZINC000002391717 431251383 /nfs/dbraw/zinc/25/13/83/431251383.db2.gz BNUHNLZVJMQDJJ-UONOGXRCSA-N -1 0 305.374 3.112 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000002391714 431251424 /nfs/dbraw/zinc/25/14/24/431251424.db2.gz NISWNSOUPGGKNK-UONOGXRCSA-N -1 0 305.374 3.254 50 0 DGAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000002499711 431255315 /nfs/dbraw/zinc/25/53/15/431255315.db2.gz CLZYGVBASLYBCE-GJZGRUSLSA-N -1 0 301.367 3.267 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCCCc1ccccc1 ZINC000003096094 431282581 /nfs/dbraw/zinc/28/25/81/431282581.db2.gz IXLNPBARHKASTP-CVEARBPZSA-N -1 0 303.402 3.017 50 0 DGAARM CN(C(=O)CSc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000003223089 431287480 /nfs/dbraw/zinc/28/74/80/431287480.db2.gz MQGOIGPVPBTXBZ-UHFFFAOYSA-N -1 0 307.415 3.268 50 0 DGAARM Cc1ccc(C)c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])c1 ZINC000003957448 431294105 /nfs/dbraw/zinc/29/41/05/431294105.db2.gz AKLSDINPRZDWAG-OLZOCXBDSA-N -1 0 307.777 3.475 50 0 DGAARM CCc1c(C)sc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC000002637190 431261389 /nfs/dbraw/zinc/26/13/89/431261389.db2.gz LHLBGCWMZBFFPO-UHFFFAOYSA-N -1 0 314.366 3.221 50 0 DGAARM CCCCCCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000002689944 431263250 /nfs/dbraw/zinc/26/32/50/431263250.db2.gz IIPPYBKAMXNRSE-ZDUSSCGKSA-N -1 0 304.415 3.021 50 0 DGAARM Cc1ccsc1-c1nccn1-c1cc(-c2nn[nH]n2)ccc1C ZINC000072480405 431336108 /nfs/dbraw/zinc/33/61/08/431336108.db2.gz PXBMJMVKXDQNSU-UHFFFAOYSA-N -1 0 322.397 3.398 50 0 DGAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cccc(F)c1 ZINC000007409128 431346166 /nfs/dbraw/zinc/34/61/66/431346166.db2.gz GALBSBHBDJDQLD-UHFFFAOYSA-N -1 0 317.288 3.228 50 0 DGAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000007405616 431348433 /nfs/dbraw/zinc/34/84/33/431348433.db2.gz KOKLDBFGYNFHMX-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1cccc(F)c1 ZINC000007709431 431359633 /nfs/dbraw/zinc/35/96/33/431359633.db2.gz KBICACHAEWARBZ-UHFFFAOYSA-N -1 0 302.330 3.175 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(F)cc1F ZINC000007709429 431359872 /nfs/dbraw/zinc/35/98/72/431359872.db2.gz UOYLCZKDRHYEBX-UHFFFAOYSA-N -1 0 320.320 3.314 50 0 DGAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)CCCC2 ZINC000009193367 431425991 /nfs/dbraw/zinc/42/59/91/431425991.db2.gz QXCRFXKKKIICTF-UHFFFAOYSA-N -1 0 317.414 3.021 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000008105004 431379148 /nfs/dbraw/zinc/37/91/48/431379148.db2.gz IXRYBBHDSKTBIS-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000008196308 431385437 /nfs/dbraw/zinc/38/54/37/431385437.db2.gz SHYYPGOGZJLYIA-LDYMZIIASA-N -1 0 318.295 3.326 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000008743555 431412191 /nfs/dbraw/zinc/41/21/91/431412191.db2.gz VIWASEZLLDVYMD-UHFFFAOYSA-N -1 0 304.396 3.406 50 0 DGAARM COc1ccc(-n2[n-]c(-c3ccccc3Cl)cc2=O)cc1 ZINC000009939697 431449841 /nfs/dbraw/zinc/44/98/41/431449841.db2.gz GLOGHRBRZHVMGX-UHFFFAOYSA-N -1 0 300.745 3.495 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1cccnc1 ZINC000075109949 431455261 /nfs/dbraw/zinc/45/52/61/431455261.db2.gz NRPHKCJKGGGIRN-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM Cc1cc2occ(CC(=O)NCCCCCC(=O)[O-])c2c(C)c1 ZINC000011867338 431484231 /nfs/dbraw/zinc/48/42/31/431484231.db2.gz PLMWLAOMKFIIGD-UHFFFAOYSA-N -1 0 317.385 3.353 50 0 DGAARM Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H](C)O2 ZINC000011945330 431488070 /nfs/dbraw/zinc/48/80/70/431488070.db2.gz WDOCBOJSOIZCNY-GFCCVEGCSA-N -1 0 311.337 3.007 50 0 DGAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1C ZINC000012414628 431506163 /nfs/dbraw/zinc/50/61/63/431506163.db2.gz KJJODYBDCKUYCI-UHFFFAOYSA-N -1 0 308.337 3.103 50 0 DGAARM CSc1nn2c([n-]1)nc(C)c(C/C=C/c1ccccc1)c2=O ZINC000013122517 431547254 /nfs/dbraw/zinc/54/72/54/431547254.db2.gz QXTNZQXHZDHIJW-RMKNXTFCSA-N -1 0 312.398 3.116 50 0 DGAARM Cc1cc(COc2ccc(C(=O)[O-])cc2Br)no1 ZINC000013231582 431552026 /nfs/dbraw/zinc/55/20/26/431552026.db2.gz WFHYDBKDQQSNIQ-UHFFFAOYSA-N -1 0 312.119 3.023 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 ZINC000013260696 431552278 /nfs/dbraw/zinc/55/22/78/431552278.db2.gz JGLFDGUKDKEHPW-ZDUSSCGKSA-N -1 0 315.394 3.352 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000013389096 431554469 /nfs/dbraw/zinc/55/44/69/431554469.db2.gz UVNAMUYFEJDQFE-GFCCVEGCSA-N -1 0 323.801 3.276 50 0 DGAARM CC(C)[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000033456175 280293752 /nfs/dbraw/zinc/29/37/52/280293752.db2.gz ZRYCUODJUIAJCI-ZDUSSCGKSA-N -1 0 315.822 3.048 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1OC ZINC000016622199 431614128 /nfs/dbraw/zinc/61/41/28/431614128.db2.gz MZOXRUVAZXFDBI-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM O=c1c2ccccc2[n-]c(=S)n1Cc1cccc(Cl)c1 ZINC000017030879 431616817 /nfs/dbraw/zinc/61/68/17/431616817.db2.gz GBXMOWRVBZXONA-UHFFFAOYSA-N -1 0 302.786 3.387 50 0 DGAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCc2ccccc2C1 ZINC000020745868 431626266 /nfs/dbraw/zinc/62/62/66/431626266.db2.gz XOMHYUMIFAWCSJ-GOSISDBHSA-N -1 0 324.355 3.491 50 0 DGAARM CN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080035978 431758742 /nfs/dbraw/zinc/75/87/42/431758742.db2.gz XHERSCSOWWWQAX-LLVKDONJSA-N -1 0 319.788 3.307 50 0 DGAARM CC(C)c1nc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC000089893547 280662115 /nfs/dbraw/zinc/66/21/15/280662115.db2.gz LLZLUCFMPRDDBN-UHFFFAOYSA-N -1 0 322.361 3.285 50 0 DGAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1cc2ccccc2[nH]1 ZINC000032919105 431800760 /nfs/dbraw/zinc/80/07/60/431800760.db2.gz LDTPEGGFXPAONH-DLBZAZTESA-N -1 0 320.348 3.163 50 0 DGAARM CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)SC[C@@H]1C(=O)[O-] ZINC000033882795 431816603 /nfs/dbraw/zinc/81/66/03/431816603.db2.gz QTGJLLUGEPDNFX-VXGBXAGGSA-N -1 0 309.387 3.122 50 0 DGAARM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)s1 ZINC000037420637 431847083 /nfs/dbraw/zinc/84/70/83/431847083.db2.gz PYOFIPZIFZYYKI-AWEZNQCLSA-N -1 0 303.383 3.311 50 0 DGAARM O=C([O-])C1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000037561262 431847887 /nfs/dbraw/zinc/84/78/87/431847887.db2.gz VFJGIMSXDUJTHZ-UHFFFAOYSA-N -1 0 316.184 3.367 50 0 DGAARM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000038106501 431854867 /nfs/dbraw/zinc/85/48/67/431854867.db2.gz WVZHYCQBZXEFGV-UHFFFAOYSA-N -1 0 309.362 3.414 50 0 DGAARM COc1ccc(/C=C/C(=O)[O-])cc1COCc1c(C)noc1C ZINC000034925040 431821250 /nfs/dbraw/zinc/82/12/50/431821250.db2.gz SFQQHPKWSUMXKQ-FNORWQNLSA-N -1 0 317.341 3.115 50 0 DGAARM O=c1nc(CN2CC=C(c3ccccc3)CC2)[n-]c2ccsc21 ZINC000035360281 431830770 /nfs/dbraw/zinc/83/07/70/431830770.db2.gz SZKRQMIPAOADSY-UHFFFAOYSA-N -1 0 323.421 3.274 50 0 DGAARM CCCOc1cc(C)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000048382420 431925081 /nfs/dbraw/zinc/92/50/81/431925081.db2.gz RGQWVNYADJZTDK-KGLIPLIRSA-N -1 0 317.385 3.389 50 0 DGAARM CCCOc1cc(C)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000048382422 431925154 /nfs/dbraw/zinc/92/51/54/431925154.db2.gz RGQWVNYADJZTDK-ZIAGYGMSSA-N -1 0 317.385 3.389 50 0 DGAARM O=C([O-])[C@H](NC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000054500769 431971578 /nfs/dbraw/zinc/97/15/78/431971578.db2.gz HSQMZOQUELHCFO-LLVKDONJSA-N -1 0 309.774 3.148 50 0 DGAARM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ncc(C)s1 ZINC000095969753 431929812 /nfs/dbraw/zinc/92/98/12/431929812.db2.gz SXBSICIWOWEIGJ-QMMMGPOBSA-N -1 0 310.400 3.092 50 0 DGAARM CC(C)(C)c1ncsc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000095992006 431932905 /nfs/dbraw/zinc/93/29/05/431932905.db2.gz HRQDGQLLQSOSDZ-NSHDSACASA-N -1 0 324.446 3.158 50 0 DGAARM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1F ZINC000095992047 431933015 /nfs/dbraw/zinc/93/30/15/431933015.db2.gz VLEJERRRSUIPRU-CYBMUJFWSA-N -1 0 321.392 3.207 50 0 DGAARM N#Cc1ccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000096313958 431944548 /nfs/dbraw/zinc/94/45/48/431944548.db2.gz DJBRORDWQBPEAU-TWGQIWQCSA-N -1 0 321.332 3.308 50 0 DGAARM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000096313957 431944978 /nfs/dbraw/zinc/94/49/78/431944978.db2.gz GPRTWIBJEBPKOL-PGJNLMOESA-N -1 0 321.332 3.306 50 0 DGAARM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000097036170 431957068 /nfs/dbraw/zinc/95/70/68/431957068.db2.gz JNJHHWGXGCDUMS-SECBINFHSA-N -1 0 305.280 3.405 50 0 DGAARM Cc1oc(CN(C)C(=O)c2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC000097035834 431957089 /nfs/dbraw/zinc/95/70/89/431957089.db2.gz JUTWTSYCENVKLY-UHFFFAOYSA-N -1 0 312.325 3.040 50 0 DGAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000097035727 431957226 /nfs/dbraw/zinc/95/72/26/431957226.db2.gz KHZNYMVVDXESQA-MLGOLLRUSA-N -1 0 322.364 3.360 50 0 DGAARM Cc1nc2[n-]c(C3CCCCC3)nn2c(=O)c1Cc1ccccc1 ZINC000100486557 431982327 /nfs/dbraw/zinc/98/23/27/431982327.db2.gz KTAPOLLDTLQFBK-UHFFFAOYSA-N -1 0 322.412 3.365 50 0 DGAARM Cc1ccc(C=CS(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000055581222 431984074 /nfs/dbraw/zinc/98/40/74/431984074.db2.gz HPGLBSWLOWBPID-KTKRTIGZSA-N -1 0 313.382 3.284 50 0 DGAARM CCSc1nn2c([n-]1)nc(-c1ccc3ccccc3c1)cc2=O ZINC000101397151 431984794 /nfs/dbraw/zinc/98/47/94/431984794.db2.gz YHVFNEHWZIVSGO-UHFFFAOYSA-N -1 0 322.393 3.350 50 0 DGAARM O=C([O-])c1coc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000183792295 432327494 /nfs/dbraw/zinc/32/74/94/432327494.db2.gz KJUDRJFCDNLDRG-UHFFFAOYSA-N -1 0 313.231 3.335 50 0 DGAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(OCC#N)cc1 ZINC000252475235 432377126 /nfs/dbraw/zinc/37/71/26/432377126.db2.gz WNCOMKVRFVUKAG-UHFFFAOYSA-N -1 0 309.325 3.123 50 0 DGAARM Cc1noc(C)c1-c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000193520345 432479347 /nfs/dbraw/zinc/47/93/47/432479347.db2.gz HJQYJKATKBXFDK-UHFFFAOYSA-N -1 0 301.371 3.135 50 0 DGAARM CC(C)c1cnc(NC(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000262978754 432511189 /nfs/dbraw/zinc/51/11/89/432511189.db2.gz BREYZYKWMYKYGS-UHFFFAOYSA-N -1 0 311.407 3.031 50 0 DGAARM Cc1c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cccc1-c1ccccn1 ZINC000263227034 432526699 /nfs/dbraw/zinc/52/66/99/432526699.db2.gz AVVDAEZCBRNANX-CYBMUJFWSA-N -1 0 324.380 3.135 50 0 DGAARM O=C([O-])c1ccc(CC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000263362139 432535869 /nfs/dbraw/zinc/53/58/69/432535869.db2.gz URJWZRNEIFDLTP-HNNXBMFYSA-N -1 0 315.394 3.353 50 0 DGAARM O=C([O-])Cc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 ZINC000215642260 432645745 /nfs/dbraw/zinc/64/57/45/432645745.db2.gz RMZMRVHHOHRLMF-UHFFFAOYSA-N -1 0 324.380 3.002 50 0 DGAARM Cc1ncc(/C=C/C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000221916821 432669658 /nfs/dbraw/zinc/66/96/58/432669658.db2.gz WILOCQPDUGIUCL-KCKXTUGSSA-N -1 0 314.366 3.201 50 0 DGAARM Cc1ccnc(NC(=O)C[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000226750996 432708199 /nfs/dbraw/zinc/70/81/99/432708199.db2.gz GDVUWQUUTQLPAM-LLVKDONJSA-N -1 0 304.371 3.039 50 0 DGAARM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000225458430 432691591 /nfs/dbraw/zinc/69/15/91/432691591.db2.gz BIBUMGUISLAIQB-JTQLQIEISA-N -1 0 318.398 3.291 50 0 DGAARM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000044917295 288646614 /nfs/dbraw/zinc/64/66/14/288646614.db2.gz YSRNKYYUPIHNTH-AOOOYVTPSA-N -1 0 317.414 3.116 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc2[nH]ccc21 ZINC000237992952 432808170 /nfs/dbraw/zinc/80/81/70/432808170.db2.gz GJETYOLFGMWEOB-GFCCVEGCSA-N -1 0 300.358 3.027 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000238006533 432808396 /nfs/dbraw/zinc/80/83/96/432808396.db2.gz WIHLNSJGYHJUGT-OAHLLOKOSA-N -1 0 315.413 3.212 50 0 DGAARM O=C([O-])c1cc(-c2csc3ccccc32)cc(-n2cnnn2)c1 ZINC000299801808 433389849 /nfs/dbraw/zinc/38/98/49/433389849.db2.gz ZGRXKFXPIPFDRA-UHFFFAOYSA-N -1 0 322.349 3.242 50 0 DGAARM COc1cccc(C(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000001397593 295282765 /nfs/dbraw/zinc/28/27/65/295282765.db2.gz CRPBEYWLMWEYNV-HNNXBMFYSA-N -1 0 302.301 3.276 50 0 DGAARM C[C@@H]1C[C@H](C)CN(C(=O)C[C@H](CC(=O)[O-])c2ccccc2)C1 ZINC000252515315 297353839 /nfs/dbraw/zinc/35/38/39/297353839.db2.gz IJDRUHJABQUVLE-IJEWVQPXSA-N -1 0 303.402 3.140 50 0 DGAARM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc21 ZINC000653333453 436162953 /nfs/dbraw/zinc/16/29/53/436162953.db2.gz OYAWXXSGQDANDU-ZWKOTPCHSA-N -1 0 321.376 3.218 50 0 DGAARM Cn1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cn1 ZINC000096939742 302903829 /nfs/dbraw/zinc/90/38/29/302903829.db2.gz GKKRORWYKFEFFF-WQLSENKSSA-N -1 0 305.337 3.153 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 ZINC000097231510 323210430 /nfs/dbraw/zinc/21/04/30/323210430.db2.gz CGTWMJVLPXFUFW-CQSZACIVSA-N -1 0 313.353 3.215 50 0 DGAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccsc1)C(=O)[O-] ZINC000195541677 323491549 /nfs/dbraw/zinc/49/15/49/323491549.db2.gz WYCUQELMLXQTPA-LBPRGKRZSA-N -1 0 303.383 3.111 50 0 DGAARM O=C([O-])c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000000058211 331458610 /nfs/dbraw/zinc/45/86/10/331458610.db2.gz NONNFIAFWRSPPY-UHFFFAOYSA-N -1 0 305.127 3.378 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 ZINC000215985442 333116600 /nfs/dbraw/zinc/11/66/00/333116600.db2.gz GHFCWRYFUPZRJA-GFCCVEGCSA-N -1 0 303.349 3.058 50 0 DGAARM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000237037446 500612100 /nfs/dbraw/zinc/61/21/00/500612100.db2.gz BLBFFCOXANSIBJ-KRWDZBQOSA-N -1 0 309.365 3.014 50 0 DGAARM Cc1ccc2[nH]c(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc2c1C ZINC000195551866 500663449 /nfs/dbraw/zinc/66/34/49/500663449.db2.gz AZUJBMHTWUVCSR-NSHDSACASA-N -1 0 314.385 3.110 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1ccc(Br)cc1Cl ZINC000157314747 526275577 /nfs/dbraw/zinc/27/55/77/526275577.db2.gz SILHGJDJRXYTPJ-NSHDSACASA-N -1 0 318.598 3.152 50 0 DGAARM N#C/C(=C/c1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000070004819 545707012 /nfs/dbraw/zinc/70/70/12/545707012.db2.gz NYMVDWPVQBQSAU-UITAMQMPSA-N -1 0 320.757 3.367 50 0 DGAARM O=C([O-])/C(=C\c1ccco1)NC(=O)c1cccc2ccccc21 ZINC000002827684 655771770 /nfs/dbraw/zinc/77/17/70/655771770.db2.gz PLGYDNAYLBRGQF-LFIBNONCSA-N -1 0 307.305 3.288 50 0 DGAARM CCCN(CCC)c1cc(C(=O)[O-])cc(Br)n1 ZINC000725347869 656533390 /nfs/dbraw/zinc/53/33/90/656533390.db2.gz SSRDQKFVADIPLN-UHFFFAOYSA-N -1 0 301.184 3.169 50 0 DGAARM CCc1ccc(C(=O)[N-]NC(=S)Nc2cccc(Cl)c2)o1 ZINC000031492866 658817636 /nfs/dbraw/zinc/81/76/36/658817636.db2.gz VBLWOCQNSSPQRT-UHFFFAOYSA-N -1 0 323.805 3.127 50 0 DGAARM COCC1(CNc2noc(-c3ccccc3)c2C(=O)[O-])CCC1 ZINC001704307052 1202519846 /nfs/dbraw/zinc/51/98/46/1202519846.db2.gz RWBBPYOUQYZKKW-UHFFFAOYSA-N -1 0 316.357 3.268 50 0 DGAARM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)O1 ZINC000163627205 197642532 /nfs/dbraw/zinc/64/25/32/197642532.db2.gz MRBLPAPBMHBPTH-ONGXEEELSA-N -1 0 306.387 3.403 50 0 DGAARM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccccc2F)n[nH]1 ZINC000079106555 185158711 /nfs/dbraw/zinc/15/87/11/185158711.db2.gz DJXNLGKEYXMAIN-SNVBAGLBSA-N -1 0 311.382 3.253 50 0 DGAARM C[C@@H](CSc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000095424988 185361471 /nfs/dbraw/zinc/36/14/71/185361471.db2.gz KWIPAMYXJWLZIU-ZDUSSCGKSA-N -1 0 309.431 3.176 50 0 DGAARM CC[C@@H](C)c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)on1 ZINC000095424063 185361496 /nfs/dbraw/zinc/36/14/96/185361496.db2.gz BUUDLNQXGTXPFW-BXUZGUMPSA-N -1 0 316.357 3.134 50 0 DGAARM CC(C)c1noc([N-][C@@H](C)c2noc(Cc3ccccc3)n2)n1 ZINC000095427774 185361938 /nfs/dbraw/zinc/36/19/38/185361938.db2.gz KVWMAIBKKKDTOX-NSHDSACASA-N -1 0 313.361 3.340 50 0 DGAARM O=S(=O)([N-]c1ncccc1Cl)c1cccc(Cl)c1F ZINC000095455168 185369870 /nfs/dbraw/zinc/36/98/70/185369870.db2.gz CLRLKBNNTIEAKX-UHFFFAOYSA-N -1 0 321.160 3.328 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)o1 ZINC000095459496 185370679 /nfs/dbraw/zinc/37/06/79/185370679.db2.gz XXRXZCZLPYOQNK-UHFFFAOYSA-N -1 0 304.327 3.044 50 0 DGAARM CSc1c[nH]nc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000095466388 185371772 /nfs/dbraw/zinc/37/17/72/185371772.db2.gz ZFFOVQOGYGXRAU-UHFFFAOYSA-N -1 0 311.432 3.056 50 0 DGAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000097018289 185397685 /nfs/dbraw/zinc/39/76/85/185397685.db2.gz QDAHNAWFDDRWQF-ABAIWWIYSA-N -1 0 301.317 3.018 50 0 DGAARM Cc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000097018274 185397735 /nfs/dbraw/zinc/39/77/35/185397735.db2.gz HIUGRFSOYAYGNS-DGCLKSJQSA-N -1 0 303.383 3.248 50 0 DGAARM CC(C)(C)c1nc(CNC(=O)c2ccc(C(=O)[O-])s2)cs1 ZINC000097017695 185397863 /nfs/dbraw/zinc/39/78/63/185397863.db2.gz UBSBMLJWKMHJRD-UHFFFAOYSA-N -1 0 324.427 3.130 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000097018892 185397929 /nfs/dbraw/zinc/39/79/29/185397929.db2.gz SBYKTCMIVSQZNW-OLZOCXBDSA-N -1 0 319.744 3.051 50 0 DGAARM C[C@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000097039222 185401504 /nfs/dbraw/zinc/40/15/04/185401504.db2.gz TWNMYRRANWLSIO-SECBINFHSA-N -1 0 315.291 3.031 50 0 DGAARM Cc1ccnc(-n2c(CCC(=O)[O-])nc3c2ccc(C)c3C)c1 ZINC000067880498 190731934 /nfs/dbraw/zinc/73/19/34/190731934.db2.gz NPVLSRTWSNFYLB-UHFFFAOYSA-N -1 0 309.369 3.363 50 0 DGAARM CCc1c([N-]S(=O)(=O)CC)noc1-c1ccc(Cl)s1 ZINC000130217499 432017819 /nfs/dbraw/zinc/01/78/19/432017819.db2.gz BTKYOFLJKGAXCX-UHFFFAOYSA-N -1 0 320.823 3.381 50 0 DGAARM O=C([O-])CC1(CNC(=O)OCc2ccccc2)CCCCC1 ZINC000070113548 190858857 /nfs/dbraw/zinc/85/88/57/190858857.db2.gz GTIZSSHTRBTTFV-UHFFFAOYSA-N -1 0 305.374 3.338 50 0 DGAARM CC[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000080343811 192150656 /nfs/dbraw/zinc/15/06/56/192150656.db2.gz GYNOORPTNAEXOA-KBMXLJTQSA-N -1 0 303.402 3.187 50 0 DGAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN(c2nccs2)C1 ZINC000071750286 191022576 /nfs/dbraw/zinc/02/25/76/191022576.db2.gz PZSKCCARGCQBTG-INIZCTEOSA-N -1 0 302.399 3.057 50 0 DGAARM CC(C)C(=O)N1CCC[C@@](CCCc2ccccc2)(C(=O)[O-])C1 ZINC000071767716 191029359 /nfs/dbraw/zinc/02/93/59/191029359.db2.gz HDYAXXUAMUMMRT-LJQANCHMSA-N -1 0 317.429 3.359 50 0 DGAARM CC(C)c1occc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262888890 186319303 /nfs/dbraw/zinc/31/93/03/186319303.db2.gz CGGQQHDBDJSSEK-UHFFFAOYSA-N -1 0 317.341 3.143 50 0 DGAARM O=C([O-])c1ccnc(-c2ccnc(N3CCCCCCC3)n2)c1 ZINC000072423061 191158416 /nfs/dbraw/zinc/15/84/16/191158416.db2.gz VXBOGCBGDJRHSQ-UHFFFAOYSA-N -1 0 312.373 3.007 50 0 DGAARM CC[C@H](C(=O)[O-])n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000144655 180707023 /nfs/dbraw/zinc/70/70/23/180707023.db2.gz AEWDMEJCOMCECV-GFCCVEGCSA-N -1 0 314.366 3.161 50 0 DGAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000072475538 191177675 /nfs/dbraw/zinc/17/76/75/191177675.db2.gz BMXXTGCQJVNQGK-OAHLLOKOSA-N -1 0 324.380 3.481 50 0 DGAARM O=C([O-])c1ccccc1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000271033 180744634 /nfs/dbraw/zinc/74/46/34/180744634.db2.gz DNXCJIMPBHLLLZ-UHFFFAOYSA-N -1 0 309.532 3.427 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccccc2Cl)cc1 ZINC000000614869 180829703 /nfs/dbraw/zinc/82/97/03/180829703.db2.gz FNDDDUMKGQWCQZ-UHFFFAOYSA-N -1 0 308.786 3.305 50 0 DGAARM O=C([O-])CCCCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001889989 180901048 /nfs/dbraw/zinc/90/10/48/180901048.db2.gz KBUYUWKKJIQILN-UHFFFAOYSA-N -1 0 304.371 3.394 50 0 DGAARM CCCCCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000002292270 180918786 /nfs/dbraw/zinc/91/87/86/180918786.db2.gz DLUSUFYRJJDNKI-MRXNPFEDSA-N -1 0 321.417 3.485 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002737739 180950268 /nfs/dbraw/zinc/95/02/68/180950268.db2.gz CRZMVVBSYZLCHT-HZPDHXFCSA-N -1 0 316.401 3.138 50 0 DGAARM CN(Cc1cc2cc(F)ccc2[nH]1)Cc1ncccc1C(=O)[O-] ZINC000067696533 432035135 /nfs/dbraw/zinc/03/51/35/432035135.db2.gz BJJFXNSEANRTGV-UHFFFAOYSA-N -1 0 313.332 3.032 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccc(F)cc1 ZINC000003407209 181015700 /nfs/dbraw/zinc/01/57/00/181015700.db2.gz SPNDUUNNSMVJOM-UHFFFAOYSA-N -1 0 305.330 3.255 50 0 DGAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004087898 181071376 /nfs/dbraw/zinc/07/13/76/181071376.db2.gz UHZCNPOTRFEWPB-UHFFFAOYSA-N -1 0 324.785 3.005 50 0 DGAARM CCOc1cc(Br)c2cc(C(=O)[O-])[nH]c2c1OC ZINC000004237874 181086949 /nfs/dbraw/zinc/08/69/49/181086949.db2.gz BCRWSCUJUSJIHN-UHFFFAOYSA-N -1 0 314.135 3.036 50 0 DGAARM O=c1[n-]c(Nc2ccccc2F)nnc1Cc1ccc(F)cc1 ZINC000004317188 181097030 /nfs/dbraw/zinc/09/70/30/181097030.db2.gz VGOAIOZQHPZAHU-UHFFFAOYSA-N -1 0 314.295 3.190 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000004660787 181133519 /nfs/dbraw/zinc/13/35/19/181133519.db2.gz IXJAANBKHYTNFG-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM COc1ccc(OC)c(NC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000004776644 181151457 /nfs/dbraw/zinc/15/14/57/181151457.db2.gz FTAUDFHARCNGLM-UHFFFAOYSA-N -1 0 316.313 3.046 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccccc1 ZINC000004832278 181158617 /nfs/dbraw/zinc/15/86/17/181158617.db2.gz VLOAFSYUAIKMLM-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1ccc(Cl)cc1Cl ZINC000004970387 181181691 /nfs/dbraw/zinc/18/16/91/181181691.db2.gz ZXIFQNOHYRKULB-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(C)C ZINC000004999166 181187972 /nfs/dbraw/zinc/18/79/72/181187972.db2.gz QQQCMZDOZHFOSF-UHFFFAOYSA-N -1 0 306.387 3.014 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000005154361 181211045 /nfs/dbraw/zinc/21/10/45/181211045.db2.gz CLOQEXNYNPKYQE-UHFFFAOYSA-N -1 0 320.396 3.425 50 0 DGAARM Cc1ccc(C)c(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000005154399 181211070 /nfs/dbraw/zinc/21/10/70/181211070.db2.gz YUBAUPFNDKFJSY-UHFFFAOYSA-N -1 0 324.359 3.255 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000005154386 181211279 /nfs/dbraw/zinc/21/12/79/181211279.db2.gz WRYJAXSUQHSPLB-UHFFFAOYSA-N -1 0 320.396 3.425 50 0 DGAARM CC(C)C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005352840 181233730 /nfs/dbraw/zinc/23/37/30/181233730.db2.gz DBQIIQWWNCJPEG-INIZCTEOSA-N -1 0 316.401 3.106 50 0 DGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])c(Cl)cc12 ZINC000005423615 181242507 /nfs/dbraw/zinc/24/25/07/181242507.db2.gz MGULNSAVHAUNKV-QMMMGPOBSA-N -1 0 310.733 3.251 50 0 DGAARM CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237064557 202140166 /nfs/dbraw/zinc/14/01/66/202140166.db2.gz IDXATTIFQDCSEC-AWEZNQCLSA-N -1 0 324.380 3.001 50 0 DGAARM CCc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)oc1CC ZINC000237122394 202158417 /nfs/dbraw/zinc/15/84/17/202158417.db2.gz XBJSWIBMKVKCOT-UHFFFAOYSA-N -1 0 301.342 3.033 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCC2 ZINC000237993763 304062480 /nfs/dbraw/zinc/06/24/80/304062480.db2.gz HITFLKHBAXUHTF-CYBMUJFWSA-N -1 0 321.442 3.486 50 0 DGAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237360023 202243090 /nfs/dbraw/zinc/24/30/90/202243090.db2.gz SYIBJPSJUNUGTP-DZGCQCFKSA-N -1 0 321.392 3.250 50 0 DGAARM Cc1cc(F)c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1F ZINC000237649214 202317114 /nfs/dbraw/zinc/31/71/14/202317114.db2.gz UPSKZGUDIYPYNE-NSHDSACASA-N -1 0 311.328 3.133 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000237655398 202319547 /nfs/dbraw/zinc/31/95/47/202319547.db2.gz RWFYATYGMOJTQE-QGZVFWFLSA-N -1 0 315.394 3.352 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000238100440 202441260 /nfs/dbraw/zinc/44/12/60/202441260.db2.gz TWVQQQXLYZFMHF-JTQLQIEISA-N -1 0 319.744 3.147 50 0 DGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000006315540 181329213 /nfs/dbraw/zinc/32/92/13/181329213.db2.gz YONIKERKSUGXNE-UHFFFAOYSA-N -1 0 324.789 3.099 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000006330678 181330281 /nfs/dbraw/zinc/33/02/81/181330281.db2.gz KABYKUULLJDORI-NWDGAFQWSA-N -1 0 324.174 3.055 50 0 DGAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263528585 304112712 /nfs/dbraw/zinc/11/27/12/304112712.db2.gz LHZXDLZOPHQTEY-JTQLQIEISA-N -1 0 321.682 3.048 50 0 DGAARM Cc1c(CC(=O)[O-])c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000006667837 181367896 /nfs/dbraw/zinc/36/78/96/181367896.db2.gz FPWJUBYBDFPJJC-UHFFFAOYSA-N -1 0 315.344 3.130 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2cc(C(C)(C)C)on2)[C@@H](C(=O)[O-])C1 ZINC000006698219 181371395 /nfs/dbraw/zinc/37/13/95/181371395.db2.gz LPWQBHZZLPQEIF-RYUDHWBXSA-N -1 0 320.389 3.358 50 0 DGAARM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000261823270 203126867 /nfs/dbraw/zinc/12/68/67/203126867.db2.gz HLBKCBPSKNQGEU-CXAGYDPISA-N -1 0 309.365 3.001 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc2[nH]ccc21 ZINC000299741027 304147745 /nfs/dbraw/zinc/14/77/45/304147745.db2.gz CYCBGENBLOVXOA-RLCCDNCMSA-N -1 0 312.369 3.026 50 0 DGAARM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000262580103 203338709 /nfs/dbraw/zinc/33/87/09/203338709.db2.gz QFBXAFUPRFHVPA-JTQLQIEISA-N -1 0 319.382 3.336 50 0 DGAARM O=C([O-])C1(OC(=O)C(c2ccccc2)c2ccccc2)CCC1 ZINC000012583058 181780024 /nfs/dbraw/zinc/78/00/24/181780024.db2.gz CUCWDEGNRFGMHB-UHFFFAOYSA-N -1 0 310.349 3.369 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000013175820 181836613 /nfs/dbraw/zinc/83/66/13/181836613.db2.gz IDRSQNRIKMTWKX-GXTWGEPZSA-N -1 0 307.777 3.328 50 0 DGAARM O=C([O-])[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000261830381 304172381 /nfs/dbraw/zinc/17/23/81/304172381.db2.gz XOWCCGAQKBETLT-IAGOWNOFSA-N -1 0 309.365 3.049 50 0 DGAARM CSCC[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000015998893 182028547 /nfs/dbraw/zinc/02/85/47/182028547.db2.gz CZDNGHJADNZLKG-CYBMUJFWSA-N -1 0 310.419 3.138 50 0 DGAARM COc1ccc(C(=O)Nc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000018195136 182098229 /nfs/dbraw/zinc/09/82/29/182098229.db2.gz HOPGLPRIKSWAMZ-UHFFFAOYSA-N -1 0 317.366 3.124 50 0 DGAARM CCCc1nn2c([n-]1)nc(C)c(Cc1cccc(Cl)c1)c2=O ZINC000018223218 182099670 /nfs/dbraw/zinc/09/96/70/182099670.db2.gz VUAFPXNCMIBCBK-UHFFFAOYSA-N -1 0 316.792 3.335 50 0 DGAARM O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000001383807 304176221 /nfs/dbraw/zinc/17/62/21/304176221.db2.gz WFSJXMMBWGEBAN-DOTOQJQBSA-N -1 0 301.386 3.384 50 0 DGAARM Cc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)cc1Cl ZINC000022143945 182310520 /nfs/dbraw/zinc/31/05/20/182310520.db2.gz QKDNCATVKRTYHM-UHFFFAOYSA-N -1 0 314.728 3.046 50 0 DGAARM CCCc1sc(C(=O)N2CCC(C(=O)[O-])CC2)cc1CC ZINC000036972776 182857668 /nfs/dbraw/zinc/85/76/68/182857668.db2.gz IAZBREDIKAEFED-UHFFFAOYSA-N -1 0 309.431 3.200 50 0 DGAARM O=C([O-])c1cc(Cl)cc(Cl)c1I ZINC000003886214 304224326 /nfs/dbraw/zinc/22/43/26/304224326.db2.gz DJTJHMZDOREVFA-UHFFFAOYSA-N -1 0 316.909 3.296 50 0 DGAARM COC(=O)c1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)o1 ZINC000058088784 184073978 /nfs/dbraw/zinc/07/39/78/184073978.db2.gz REQCGZGFBLDGDF-VOTSOKGWSA-N -1 0 323.304 3.483 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000039416 304229962 /nfs/dbraw/zinc/22/99/62/304229962.db2.gz MKTXPHPVPAIBJL-RCOVLWMOSA-N -1 0 317.292 3.303 50 0 DGAARM CCC(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000058405465 184113877 /nfs/dbraw/zinc/11/38/77/184113877.db2.gz LTTAETIQSKKNDL-UHFFFAOYSA-N -1 0 318.373 3.009 50 0 DGAARM O=S(=O)([N-]c1ccc2scnc2c1)c1ccccc1F ZINC000062580285 184244152 /nfs/dbraw/zinc/24/41/52/184244152.db2.gz SEZRUYIGKICBIH-UHFFFAOYSA-N -1 0 308.359 3.236 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccoc3)no2)cc1 ZINC000065153462 184312729 /nfs/dbraw/zinc/31/27/29/184312729.db2.gz HVAXHPDYIGZOIP-UHFFFAOYSA-N -1 0 304.327 3.044 50 0 DGAARM O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1ccc(F)cc1 ZINC000065153412 184312864 /nfs/dbraw/zinc/31/28/64/184312864.db2.gz CVSLGTTZDUANFO-UHFFFAOYSA-N -1 0 324.358 3.343 50 0 DGAARM CN(C)C(=O)c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000065354407 184327146 /nfs/dbraw/zinc/32/71/46/184327146.db2.gz YZDCJNKVOIMOSA-UHFFFAOYSA-N -1 0 303.745 3.407 50 0 DGAARM O=C([O-])c1ccc2c(c1)ncn2-c1ccc(Br)cc1 ZINC000004638834 304253852 /nfs/dbraw/zinc/25/38/52/304253852.db2.gz VYDWHKVZOFRHTQ-UHFFFAOYSA-N -1 0 317.142 3.486 50 0 DGAARM O=C([O-])c1ccccc1N1C(=O)c2cccc3cccc(c32)C1=O ZINC000000061490 304269624 /nfs/dbraw/zinc/26/96/24/304269624.db2.gz ZUTNAGBPVPAWSD-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)NC1CCCCCC1 ZINC000003223088 304271433 /nfs/dbraw/zinc/27/14/33/304271433.db2.gz LRJYRHQWRBTLFJ-UHFFFAOYSA-N -1 0 307.415 3.316 50 0 DGAARM O=C([O-])c1cc2cc(Br)c3ccccc3c2oc1=O ZINC000005685543 400089713 /nfs/dbraw/zinc/08/97/13/400089713.db2.gz FSFDYVBOAUOMCX-UHFFFAOYSA-N -1 0 319.110 3.407 50 0 DGAARM O=C([O-])[C@H]1CC(=O)N(CC2CCCCC2)[C@H]1c1ccccc1 ZINC000601014570 400204394 /nfs/dbraw/zinc/20/43/94/400204394.db2.gz YLQAJFCYCQEOCJ-RDJZCZTQSA-N -1 0 301.386 3.241 50 0 DGAARM Cc1cc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])ccc1F ZINC000072233729 400375870 /nfs/dbraw/zinc/37/58/70/400375870.db2.gz OJESVZBNFHJKAS-GXTWGEPZSA-N -1 0 323.364 3.312 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)o1 ZINC000606441505 400912840 /nfs/dbraw/zinc/91/28/40/400912840.db2.gz YLPCBVIOBMRWIX-QIAWRQBBSA-N -1 0 311.337 3.296 50 0 DGAARM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000195551716 400924625 /nfs/dbraw/zinc/92/46/25/400924625.db2.gz GHLBBMQGDUXXFK-QMMMGPOBSA-N -1 0 309.268 3.089 50 0 DGAARM O=C([O-])C[C@@H]1CCCCN1C(=O)CC1CCC(F)(F)CC1 ZINC000630159291 401204475 /nfs/dbraw/zinc/20/44/75/401204475.db2.gz XTVPKYSXNUVBNG-LBPRGKRZSA-N -1 0 303.349 3.058 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000630272421 401230771 /nfs/dbraw/zinc/23/07/71/401230771.db2.gz KPHBBUKZNAVWOY-WDMOLILDSA-N -1 0 307.777 3.055 50 0 DGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccccc2)c1=O ZINC000065215402 401261043 /nfs/dbraw/zinc/26/10/43/401261043.db2.gz CJUKJGFRIWQCGG-UHFFFAOYSA-N -1 0 314.366 3.041 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cccc(Cl)c1 ZINC000261962796 165771126 /nfs/dbraw/zinc/77/11/26/165771126.db2.gz OZSOMZYGKHDIKW-CFVMTHIKSA-N -1 0 321.804 3.127 50 0 DGAARM CCc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccccc1 ZINC000000095513 431123282 /nfs/dbraw/zinc/12/32/82/431123282.db2.gz UOEJLMSIBWFEDY-UHFFFAOYSA-N -1 0 304.371 3.176 50 0 DGAARM CC(C)C[C@@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074677876 279039599 /nfs/dbraw/zinc/03/95/99/279039599.db2.gz JARXDPPMEAIPGP-GFCCVEGCSA-N -1 0 320.414 3.377 50 0 DGAARM Cn1c2ccccc2c2cc([C@H]3N[C@H](C(=O)[O-])CS3)ccc21 ZINC000000205073 431143890 /nfs/dbraw/zinc/14/38/90/431143890.db2.gz ADSFHNHOOIYLNE-BBRMVZONSA-N -1 0 312.394 3.120 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1 ZINC000000354392 431171557 /nfs/dbraw/zinc/17/15/57/431171557.db2.gz JDROZUKINHSKGA-UHFFFAOYSA-N -1 0 304.415 3.488 50 0 DGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2C)c1C ZINC000000386185 431174955 /nfs/dbraw/zinc/17/49/55/431174955.db2.gz JXDXLSSOUNDLEA-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1c(N)c(C(=O)[O-])c(C)c(Br)c1Br ZINC000000391006 431175945 /nfs/dbraw/zinc/17/59/45/431175945.db2.gz GFWRZNKCPRDTHR-UHFFFAOYSA-N -1 0 322.984 3.109 50 0 DGAARM Cc1cccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000000408716 431177601 /nfs/dbraw/zinc/17/76/01/431177601.db2.gz FBVMEXKJRKVQRJ-IAGOWNOFSA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1ccc(-n2c(=O)cc([O-])n(-c3ccccc3)c2=S)cc1C ZINC000000450695 431184038 /nfs/dbraw/zinc/18/40/38/431184038.db2.gz CXIJLTRRWALJNS-UHFFFAOYSA-N -1 0 324.405 3.358 50 0 DGAARM Cc1c(NC(=O)CSc2ccccc2)cccc1C(=O)[O-] ZINC000000467809 431188806 /nfs/dbraw/zinc/18/88/06/431188806.db2.gz QTEQQIHRDIMZLT-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000000469931 431189344 /nfs/dbraw/zinc/18/93/44/431189344.db2.gz VRMWLPZOZWXNAA-UHFFFAOYSA-N -1 0 305.399 3.367 50 0 DGAARM Cc1nc2sc3c(c2c(N[C@@H](C(=O)[O-])C(C)C)n1)CCCC3 ZINC000000237035 431150872 /nfs/dbraw/zinc/15/08/72/431150872.db2.gz FTDMZGKXDCQUOP-CYBMUJFWSA-N -1 0 319.430 3.400 50 0 DGAARM O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000000266484 431156324 /nfs/dbraw/zinc/15/63/24/431156324.db2.gz NTDQBZBUYUVNCW-VOTSOKGWSA-N -1 0 303.339 3.180 50 0 DGAARM CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC ZINC000000586092 431205764 /nfs/dbraw/zinc/20/57/64/431205764.db2.gz VJGIGNJHZDHJQK-AATRIKPKSA-N -1 0 315.163 3.344 50 0 DGAARM O=S(=O)([N-]c1ccncc1)c1cc(Cl)ccc1Cl ZINC000000854670 431209995 /nfs/dbraw/zinc/20/99/95/431209995.db2.gz ZPLOIFNFWYUYER-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001773339 431238845 /nfs/dbraw/zinc/23/88/45/431238845.db2.gz MLVKIYYDLNYFBP-UHFFFAOYSA-N -1 0 313.353 3.491 50 0 DGAARM O=C([O-])C[C@H](NC(=O)C(F)(F)F)c1cccc2ccccc21 ZINC000002505778 431255824 /nfs/dbraw/zinc/25/58/24/431255824.db2.gz OBZYGVHHXAUOGT-LBPRGKRZSA-N -1 0 311.259 3.034 50 0 DGAARM Cc1ccc(-c2nc3ccc(Cl)cc3n2OCC(=O)[O-])cc1 ZINC000002508522 431256000 /nfs/dbraw/zinc/25/60/00/431256000.db2.gz CKGUJCMTXZLJOI-UHFFFAOYSA-N -1 0 316.744 3.178 50 0 DGAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1cccc(F)c1 ZINC000002511974 431256178 /nfs/dbraw/zinc/25/61/78/431256178.db2.gz LIGYJYQYGUIKOE-HNNXBMFYSA-N -1 0 317.316 3.268 50 0 DGAARM Cc1ccc2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2n1 ZINC000071284590 431276014 /nfs/dbraw/zinc/27/60/14/431276014.db2.gz YANRCZRPBUYCJT-UHFFFAOYSA-N -1 0 320.348 3.423 50 0 DGAARM CCOc1ccc(C(=O)N2Cc3ccccc3[N-]C2=S)cc1 ZINC000005809039 431312168 /nfs/dbraw/zinc/31/21/68/431312168.db2.gz GPCFVQIJYHJFCN-UHFFFAOYSA-N -1 0 312.394 3.438 50 0 DGAARM CCCCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000002833591 431271479 /nfs/dbraw/zinc/27/14/79/431271479.db2.gz BEGMWNROCZFZNF-UHFFFAOYSA-N -1 0 314.794 3.041 50 0 DGAARM O=C([O-])c1cccc(OCC(=O)Nc2ccccc2Cl)c1 ZINC000002877203 431274549 /nfs/dbraw/zinc/27/45/49/431274549.db2.gz WDFUZXZNKVOSIJ-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM O=c1[n-]n(-c2ccc(Br)cc2)cc1Br ZINC000006557440 431319094 /nfs/dbraw/zinc/31/90/94/431319094.db2.gz OOXXDCAEYMZUBT-UHFFFAOYSA-N -1 0 317.968 3.103 50 0 DGAARM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000007053001 431329015 /nfs/dbraw/zinc/32/90/15/431329015.db2.gz IYBWLGBQVGFBOL-UHFFFAOYSA-N -1 0 305.399 3.449 50 0 DGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000007373219 431343209 /nfs/dbraw/zinc/34/32/09/431343209.db2.gz WHJDAYSPTRUYIX-UHFFFAOYSA-N -1 0 319.382 3.007 50 0 DGAARM O=S(=O)([N-]c1ccccc1Cl)c1c(F)cccc1F ZINC000007402040 431346949 /nfs/dbraw/zinc/34/69/49/431346949.db2.gz NNSCTMVKPFFYJU-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 ZINC000009305175 431426019 /nfs/dbraw/zinc/42/60/19/431426019.db2.gz PZOKEXXQPHYOAM-HNNXBMFYSA-N -1 0 318.348 3.489 50 0 DGAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(F)ccc1F ZINC000008104897 431378597 /nfs/dbraw/zinc/37/85/97/431378597.db2.gz INDUQPYVSMYNHM-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)n1 ZINC000008714942 431409592 /nfs/dbraw/zinc/40/95/92/431409592.db2.gz PMCLPCROEKGJNV-UHFFFAOYSA-N -1 0 310.806 3.461 50 0 DGAARM Cc1c(C(=O)[O-])nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000011730344 431480690 /nfs/dbraw/zinc/48/06/90/431480690.db2.gz PCSVXVXYEVLKQG-UHFFFAOYSA-N -1 0 320.308 3.082 50 0 DGAARM CC(C)[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000033456173 279882830 /nfs/dbraw/zinc/88/28/30/279882830.db2.gz ZRYCUODJUIAJCI-CYBMUJFWSA-N -1 0 315.822 3.048 50 0 DGAARM O=C([O-])[C@@H](Cc1ccccc1)S[C@@H]1OC(=O)c2ccccc21 ZINC000012274225 431501353 /nfs/dbraw/zinc/50/13/53/431501353.db2.gz MJYYBSOPSYZNSJ-PBHICJAKSA-N -1 0 314.362 3.285 50 0 DGAARM CCn1nc(C)c2c1nc(-c1cccc(OC)c1)cc2C(=O)[O-] ZINC000012394557 431507396 /nfs/dbraw/zinc/50/73/96/431507396.db2.gz SJHYAHQOSOBEOH-UHFFFAOYSA-N -1 0 311.341 3.133 50 0 DGAARM O=C1C[C@@H](c2n[n-]c(=S)o2)CN1c1ccc(F)c(Cl)c1 ZINC000012415592 431507624 /nfs/dbraw/zinc/50/76/24/431507624.db2.gz YZXOCAVUUFKVQI-ZCFIWIBFSA-N -1 0 313.741 3.045 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c(C)c1 ZINC000013464581 431558036 /nfs/dbraw/zinc/55/80/36/431558036.db2.gz OTUGGWVAUQJSHP-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1ccccc1CC[NH2+][C@H](c1cccc(F)c1)P(=O)([O-])[O-] ZINC000012949454 431538117 /nfs/dbraw/zinc/53/81/17/431538117.db2.gz GSBWMRDNCLQWQI-INIZCTEOSA-N -1 0 323.304 3.143 50 0 DGAARM C[C@@](CC(=O)Nc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000013251092 431552281 /nfs/dbraw/zinc/55/22/81/431552281.db2.gz HAEWZNDVPUZHRN-KRWDZBQOSA-N -1 0 301.317 3.197 50 0 DGAARM COc1c(C)ccc([N-]S(=O)(=O)c2ccccc2F)c1C ZINC000031722682 431764798 /nfs/dbraw/zinc/76/47/98/431764798.db2.gz XLQKWTWVCPJXDU-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM CN(Cc1nccs1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080034572 431759461 /nfs/dbraw/zinc/75/94/61/431759461.db2.gz MNDDVDMYQJYGSA-UHFFFAOYSA-N -1 0 317.197 3.428 50 0 DGAARM O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCc2cnccc21 ZINC000121634994 431803131 /nfs/dbraw/zinc/80/31/31/431803131.db2.gz CHEHQAGTCXEJJQ-UHFFFAOYSA-N -1 0 324.771 3.328 50 0 DGAARM CSc1ccccc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000084146499 431817525 /nfs/dbraw/zinc/81/75/25/431817525.db2.gz CFQZFFDPRVTFEV-UHFFFAOYSA-N -1 0 307.415 3.316 50 0 DGAARM COc1cc(Cl)c(C)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000032496810 431782835 /nfs/dbraw/zinc/78/28/35/431782835.db2.gz FFBNZZCFWSMMRU-UHFFFAOYSA-N -1 0 313.781 3.487 50 0 DGAARM Cc1cc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)s1 ZINC000037500800 431848077 /nfs/dbraw/zinc/84/80/77/431848077.db2.gz DHXUZJNJRIACGI-UHTWSYAYSA-N -1 0 307.415 3.209 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000037827890 431850589 /nfs/dbraw/zinc/85/05/89/431850589.db2.gz DNCSHJZIKVHEGL-CHWSQXEVSA-N -1 0 321.423 3.059 50 0 DGAARM CC(C)(C)OC(=O)N1CCc2cc(Cl)ccc2[C@H]1C(=O)[O-] ZINC000038540590 431855992 /nfs/dbraw/zinc/85/59/92/431855992.db2.gz KPXNQGBQXZXALA-LBPRGKRZSA-N -1 0 311.765 3.259 50 0 DGAARM CSc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1cccnc1 ZINC000095373961 431923687 /nfs/dbraw/zinc/92/36/87/431923687.db2.gz WAJHDFQJGFNKAY-HNNXBMFYSA-N -1 0 302.399 3.061 50 0 DGAARM CSc1ccccc1[C@H](C(=O)[O-])N(C)Cc1cccnc1 ZINC000095373962 431924254 /nfs/dbraw/zinc/92/42/54/431924254.db2.gz WAJHDFQJGFNKAY-OAHLLOKOSA-N -1 0 302.399 3.061 50 0 DGAARM COc1ccc([C@@H]2CC[C@@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000098095673 431977756 /nfs/dbraw/zinc/97/77/56/431977756.db2.gz PLHOSPLRVLUAEX-KBPBESRZSA-N -1 0 321.373 3.220 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccc(Cl)c(F)c1 ZINC000095989781 431933050 /nfs/dbraw/zinc/93/30/50/431933050.db2.gz STRDILKBAVKRSJ-LLVKDONJSA-N -1 0 311.696 3.018 50 0 DGAARM CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1 ZINC000096288939 431943684 /nfs/dbraw/zinc/94/36/84/431943684.db2.gz BUWCTWYTCLVTEU-YFHOEESVSA-N -1 0 309.321 3.239 50 0 DGAARM O=C1NC(=O)C(=Cc2csc(-c3ccc(F)cc3)n2)S1 ZINC000096926567 431956091 /nfs/dbraw/zinc/95/60/91/431956091.db2.gz KSAZXWLHVWDKHH-BJMVGYQFSA-N -1 0 306.343 3.273 50 0 DGAARM Cc1cscc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000097035742 431956832 /nfs/dbraw/zinc/95/68/32/431956832.db2.gz WEWLPVRXNUABAC-FZMZJTMJSA-N -1 0 303.383 3.248 50 0 DGAARM C[C@@H](Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000097036165 431956941 /nfs/dbraw/zinc/95/69/41/431956941.db2.gz GGTJHZFLFFUZKK-VIFPVBQESA-N -1 0 307.346 3.403 50 0 DGAARM C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000097080116 431959156 /nfs/dbraw/zinc/95/91/56/431959156.db2.gz KQLPZUSUOJMPEK-VIFPVBQESA-N -1 0 307.733 3.030 50 0 DGAARM CC(C)(C)SCCNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097374763 431967744 /nfs/dbraw/zinc/96/77/44/431967744.db2.gz HJLACNVMEPQQPY-UHFFFAOYSA-N -1 0 307.337 3.071 50 0 DGAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cc2)c1=O ZINC000100498435 431982011 /nfs/dbraw/zinc/98/20/11/431982011.db2.gz YTRSDDHFIJFNIY-UHFFFAOYSA-N -1 0 322.364 3.288 50 0 DGAARM CCn1c2ccccc2c([O-])c(-c2nc3ccccc3[nH]2)c1=O ZINC000100498577 431982249 /nfs/dbraw/zinc/98/22/49/431982249.db2.gz BASIMYUONZEVGG-UHFFFAOYSA-N -1 0 305.337 3.270 50 0 DGAARM Cc1cccc(-n2c3n[n-]c(=S)n3c3ccccc3c2=O)c1 ZINC000006507714 281187304 /nfs/dbraw/zinc/18/73/04/281187304.db2.gz GIOHZUXLYXFUQU-UHFFFAOYSA-N -1 0 308.366 3.004 50 0 DGAARM CC1(C)S[C@@H](c2ccc(Br)cc2)N[C@@H]1C(=O)[O-] ZINC000003107978 281434194 /nfs/dbraw/zinc/43/41/94/281434194.db2.gz STJQECQLTIFAFF-ZJUUUORDSA-N -1 0 316.220 3.016 50 0 DGAARM CC1(C)[C@@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)[O-] ZINC000006085702 281449867 /nfs/dbraw/zinc/44/98/67/281449867.db2.gz HVTWIDRZXOVYOX-XIKOKIGWSA-N -1 0 324.384 3.272 50 0 DGAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000128617810 431996793 /nfs/dbraw/zinc/99/67/93/431996793.db2.gz WVVTXIVEADVHGY-CYBMUJFWSA-N -1 0 315.325 3.151 50 0 DGAARM CCC(=NNc1cccc(C(=O)[O-])c1)c1cc(F)ccc1O ZINC000254396594 432402058 /nfs/dbraw/zinc/40/20/58/432402058.db2.gz SPDVEGWUQPNBGM-UHFFFAOYSA-N -1 0 302.305 3.456 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2cccnc2Cl)[C@H](C(=O)[O-])C1 ZINC000017031882 281664020 /nfs/dbraw/zinc/66/40/20/281664020.db2.gz GBOYBBCZCXOILB-WDEREUQCSA-N -1 0 308.765 3.121 50 0 DGAARM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@H]2C)[C@@H](C(=O)[O-])C1 ZINC000006741213 281664204 /nfs/dbraw/zinc/66/42/04/281664204.db2.gz FIDBMEIPDKUXJV-KBMXLJTQSA-N -1 0 313.397 3.411 50 0 DGAARM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000262543798 432490151 /nfs/dbraw/zinc/49/01/51/432490151.db2.gz RLZFOYVEMKHXPV-LLVKDONJSA-N -1 0 315.291 3.188 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@@H]1c1ccccc1 ZINC000262889996 432506783 /nfs/dbraw/zinc/50/67/83/432506783.db2.gz LJZQTHPMPWTCIZ-IAGOWNOFSA-N -1 0 313.397 3.204 50 0 DGAARM Cc1cscc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262944082 432509856 /nfs/dbraw/zinc/50/98/56/432509856.db2.gz GWCFYYBSYHQSRV-NSHDSACASA-N -1 0 319.382 3.011 50 0 DGAARM COc1cc(Cl)c(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263413467 432540785 /nfs/dbraw/zinc/54/07/85/432540785.db2.gz MFODQYMTXAEIMN-GFCCVEGCSA-N -1 0 318.200 3.441 50 0 DGAARM Cc1oc([C@H](CC(C)C)NC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000218911255 432660906 /nfs/dbraw/zinc/66/09/06/432660906.db2.gz DEPZCAABWGAVSR-JTQLQIEISA-N -1 0 312.366 3.293 50 0 DGAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)N2CCCCCC2)cc1 ZINC000223101658 432675298 /nfs/dbraw/zinc/67/52/98/432675298.db2.gz YYLRXLPEFLSABM-OAHLLOKOSA-N -1 0 319.401 3.046 50 0 DGAARM CCC(CC)n1nccc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236733466 432760689 /nfs/dbraw/zinc/76/06/89/432760689.db2.gz IHUOLAGMWSVTQF-CQSZACIVSA-N -1 0 321.421 3.104 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000237962168 432805809 /nfs/dbraw/zinc/80/58/09/432805809.db2.gz URVBTXPQICKTLP-APHBMKBZSA-N -1 0 319.376 3.033 50 0 DGAARM O=C([O-])c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)o1 ZINC000238008149 432808424 /nfs/dbraw/zinc/80/84/24/432808424.db2.gz VIUNVNHWYMLKQZ-UHFFFAOYSA-N -1 0 313.353 3.121 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000238058521 432810597 /nfs/dbraw/zinc/81/05/97/432810597.db2.gz GZZKZUKJJVUBMV-INIZCTEOSA-N -1 0 301.386 3.109 50 0 DGAARM Cc1cccc([C@H](NC(=O)C(C)(C)c2ccccc2)C(=O)[O-])c1 ZINC000426399441 433486104 /nfs/dbraw/zinc/48/61/04/433486104.db2.gz QYRDHKLSNZZXJV-INIZCTEOSA-N -1 0 311.381 3.215 50 0 DGAARM COc1cc(C)c(S(=O)(=O)[N-]c2ccccn2)cc1C(C)C ZINC000004411683 294961819 /nfs/dbraw/zinc/96/18/19/294961819.db2.gz HUYXSSDNUVVIHS-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM COc1ccc(-c2cc(C(=O)[O-])nc3c4ccccc4nn32)cc1 ZINC000095472348 295046648 /nfs/dbraw/zinc/04/66/48/295046648.db2.gz BCZBLYSIHDCGPL-UHFFFAOYSA-N -1 0 319.320 3.256 50 0 DGAARM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(C(=O)[O-])o1 ZINC000262797168 297823815 /nfs/dbraw/zinc/82/38/15/297823815.db2.gz NTRWTZMPNHMIIV-VHSXEESVSA-N -1 0 317.316 3.265 50 0 DGAARM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000237704398 299956097 /nfs/dbraw/zinc/95/60/97/299956097.db2.gz GRVQKZLFNJNEFN-WDEREUQCSA-N -1 0 303.314 3.184 50 0 DGAARM Cc1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331755 436162967 /nfs/dbraw/zinc/16/29/67/436162967.db2.gz VYRILMXPZWSIGQ-CABCVRRESA-N -1 0 315.394 3.028 50 0 DGAARM C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC000653332796 436162998 /nfs/dbraw/zinc/16/29/98/436162998.db2.gz IFJBOVXNQQFIDF-KNPMLCFXSA-N -1 0 301.386 3.242 50 0 DGAARM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc21 ZINC000653333450 436163441 /nfs/dbraw/zinc/16/34/41/436163441.db2.gz OYAWXXSGQDANDU-MSOLQXFVSA-N -1 0 321.376 3.218 50 0 DGAARM Cc1cc(C(F)(F)F)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000013115113 301158511 /nfs/dbraw/zinc/15/85/11/301158511.db2.gz NSLDQSFCTBXSAU-UHFFFAOYSA-N -1 0 300.261 3.171 50 0 DGAARM Cn1c2ccccc2c2cc([C@@H]3N[C@@H](C(=O)[O-])CS3)ccc21 ZINC000000205071 302902173 /nfs/dbraw/zinc/90/21/73/302902173.db2.gz ADSFHNHOOIYLNE-CZUORRHYSA-N -1 0 312.394 3.120 50 0 DGAARM CC[C@H](C)n1ncc2c1nc(/C=C/c1cocn1)cc2C(=O)[O-] ZINC000568518959 315517583 /nfs/dbraw/zinc/51/75/83/315517583.db2.gz VHERXNJOKIROLD-YEZKRMTDSA-N -1 0 312.329 3.259 50 0 DGAARM C[C@H](C(=O)[O-])n1cc(-c2ccc(F)cc2C(F)(F)F)cn1 ZINC000534640944 334311009 /nfs/dbraw/zinc/31/10/09/334311009.db2.gz RZJQXOIZIPYXKM-SSDOTTSWSA-N -1 0 302.227 3.354 50 0 DGAARM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000299752511 534220847 /nfs/dbraw/zinc/22/08/47/534220847.db2.gz UIXFCJQHGJCGJG-ZDUSSCGKSA-N -1 0 316.382 3.127 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2s1 ZINC000084290364 545786380 /nfs/dbraw/zinc/78/63/80/545786380.db2.gz VNUABFSYDNOHCU-VXGBXAGGSA-N -1 0 318.398 3.434 50 0 DGAARM O=C([O-])[C@H](c1ccccc1Cl)N1Cc2ccccc2C1=O ZINC000575442343 547015230 /nfs/dbraw/zinc/01/52/30/547015230.db2.gz BKYRVETWKLBGPD-AWEZNQCLSA-N -1 0 301.729 3.122 50 0 DGAARM CC(C)c1nc(CN(C)Cc2nc(=O)c3sccc3[n-]2)co1 ZINC000670473372 547758857 /nfs/dbraw/zinc/75/88/57/547758857.db2.gz NUACIDZGQWOEAF-UHFFFAOYSA-N -1 0 318.402 3.140 50 0 DGAARM Cc1ncc(C(=O)[O-])cc1NC(=O)c1csc(C(C)(C)C)n1 ZINC000685945164 549810343 /nfs/dbraw/zinc/81/03/43/549810343.db2.gz ZLWZRUNEGGKPLN-UHFFFAOYSA-N -1 0 319.386 3.095 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000746346784 575447726 /nfs/dbraw/zinc/44/77/26/575447726.db2.gz HTOSORJVRBPPIS-AFNCTOJWSA-N -1 0 301.367 3.094 50 0 DGAARM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000950757381 657411177 /nfs/dbraw/zinc/41/11/77/657411177.db2.gz YHKYEDMRESBBRI-GFCCVEGCSA-N -1 0 308.378 3.185 50 0 DGAARM CCc1oc2ccccc2c1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000191163000 658184839 /nfs/dbraw/zinc/18/48/39/658184839.db2.gz KRCMWEVIBDIGPW-NSHDSACASA-N -1 0 315.369 3.321 50 0 DGAARM CC(C)(C)OC(=O)N1CC2(CC2)c2ccccc2[C@H]1C(=O)[O-] ZINC000950756095 662086625 /nfs/dbraw/zinc/08/66/25/662086625.db2.gz MWWPGTALMINHLC-ZDUSSCGKSA-N -1 0 303.358 3.095 50 0 DGAARM CC[C@@](CNC(=O)c1oc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000262952534 685124739 /nfs/dbraw/zinc/12/47/39/685124739.db2.gz IFEIYTWIYIVGPR-SFHVURJKSA-N -1 0 315.369 3.059 50 0 DGAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c(N)c3cccnc32)c1 ZINC001506402498 1186221462 /nfs/dbraw/zinc/22/14/62/1186221462.db2.gz SZOMJSKAZHVXKR-UHFFFAOYSA-N -1 0 324.336 3.199 50 0 DGAARM CCOc1ccc([C@@H](CC)Nc2cnc(C(=O)[O-])cn2)cc1 ZINC001506419081 1186225946 /nfs/dbraw/zinc/22/59/46/1186225946.db2.gz WZCLMNIFIOCEGJ-CYBMUJFWSA-N -1 0 301.346 3.137 50 0 DGAARM Cc1ccccc1C1=N/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)O1 ZINC000096635177 185384805 /nfs/dbraw/zinc/38/48/05/185384805.db2.gz PWPYVBXSENWHRJ-XNTDXEJSSA-N -1 0 307.305 3.038 50 0 DGAARM COc1csc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000163659793 197644104 /nfs/dbraw/zinc/64/41/04/197644104.db2.gz WHWYDHSXNRKKEO-UHFFFAOYSA-N -1 0 306.368 3.439 50 0 DGAARM C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H](CC(=O)[O-])c2ccccc2)C1 ZINC000252515314 297224172 /nfs/dbraw/zinc/22/41/72/297224172.db2.gz IJDRUHJABQUVLE-IIAWOOMASA-N -1 0 303.402 3.140 50 0 DGAARM O=C([O-])C[C@H](CC(=O)NCCc1cccs1)c1cccs1 ZINC000090607318 185306296 /nfs/dbraw/zinc/30/62/96/185306296.db2.gz MBRFSDVGYDZIJJ-NSHDSACASA-N -1 0 323.439 3.117 50 0 DGAARM CCc1cc2c(cc1OCC(=O)[O-])oc(=O)cc2-c1ccccc1 ZINC000005554507 190621924 /nfs/dbraw/zinc/62/19/24/190621924.db2.gz ZPTZECOHANRPCV-UHFFFAOYSA-N -1 0 324.332 3.486 50 0 DGAARM CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000097018319 185397708 /nfs/dbraw/zinc/39/77/08/185397708.db2.gz IQWZGEXXVZOOIF-XHDPSFHLSA-N -1 0 301.342 3.034 50 0 DGAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC000097017490 185397853 /nfs/dbraw/zinc/39/78/53/185397853.db2.gz CMUHGFYGNIOKOS-MFKMUULPSA-N -1 0 321.373 3.323 50 0 DGAARM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccon1 ZINC000097022601 185398435 /nfs/dbraw/zinc/39/84/35/185398435.db2.gz WLODXIREOFDBOD-UHFFFAOYSA-N -1 0 317.526 3.048 50 0 DGAARM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1F ZINC000097032931 185399564 /nfs/dbraw/zinc/39/95/64/185399564.db2.gz ZRAIWOHTSNZSFB-ZDUSSCGKSA-N -1 0 307.365 3.097 50 0 DGAARM CCCC(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064588729 432009521 /nfs/dbraw/zinc/00/95/21/432009521.db2.gz PACGGYMNBRJWES-GFCCVEGCSA-N -1 0 304.390 3.360 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cc(C)ccc1C ZINC000064983781 432009947 /nfs/dbraw/zinc/00/99/47/432009947.db2.gz JSMDXHOXDQHJOE-UHFFFAOYSA-N -1 0 314.385 3.313 50 0 DGAARM C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237451206 295723148 /nfs/dbraw/zinc/72/31/48/295723148.db2.gz SQHNLVKMBPSYPG-IUODEOHRSA-N -1 0 307.365 3.175 50 0 DGAARM CCC(CC)c1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)on1 ZINC000236714246 201978870 /nfs/dbraw/zinc/97/88/70/201978870.db2.gz XZNLDEHUEVYVAH-GFCCVEGCSA-N -1 0 322.405 3.295 50 0 DGAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000084025640 192396167 /nfs/dbraw/zinc/39/61/67/192396167.db2.gz KPZFZYHMZXAVNS-UHFFFAOYSA-N -1 0 320.292 3.111 50 0 DGAARM Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccc(C(=O)[O-])cc2)n1 ZINC000071767592 191029315 /nfs/dbraw/zinc/02/93/15/191029315.db2.gz RUFSJBWOJZOMAT-CQSZACIVSA-N -1 0 324.384 3.323 50 0 DGAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000138393543 186016640 /nfs/dbraw/zinc/01/66/40/186016640.db2.gz ABEJZONMDKTJMC-UHFFFAOYSA-N -1 0 303.314 3.326 50 0 DGAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000140151839 186025127 /nfs/dbraw/zinc/02/51/27/186025127.db2.gz BDLDVMZWIHUIMJ-RYUDHWBXSA-N -1 0 316.382 3.250 50 0 DGAARM CCC(C)(C)C(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072417931 191155448 /nfs/dbraw/zinc/15/54/48/191155448.db2.gz ZBRAIWATOUSRKW-CQSZACIVSA-N -1 0 303.402 3.212 50 0 DGAARM O=C([O-])c1cccnc1SCC(=O)c1ccc(Cl)cc1 ZINC000000189285 180720183 /nfs/dbraw/zinc/72/01/83/180720183.db2.gz OYRSUNANXRLGEF-UHFFFAOYSA-N -1 0 307.758 3.408 50 0 DGAARM O=C([O-])C1(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000118988858 304027930 /nfs/dbraw/zinc/02/79/30/304027930.db2.gz WGYVVAGKEQWKKQ-KRWDZBQOSA-N -1 0 321.376 3.026 50 0 DGAARM Cc1ccc(C[C@]2(C(=O)[O-])CCCN2C(=O)OC(C)(C)C)cc1 ZINC000000391842 180775741 /nfs/dbraw/zinc/77/57/41/180775741.db2.gz RLTOVEWXHUWHJM-SFHVURJKSA-N -1 0 319.401 3.392 50 0 DGAARM CCOC(=O)Cc1cc(C(=O)[O-])sc1-c1ccc(OC)cc1 ZINC000000478456 180803770 /nfs/dbraw/zinc/80/37/70/180803770.db2.gz UUPVVJJXRLOORX-UHFFFAOYSA-N -1 0 320.366 3.228 50 0 DGAARM CC(C)COc1ccc(C(C)(C)C(=O)NC2=NCCS2)cc1 ZINC000107424869 432031854 /nfs/dbraw/zinc/03/18/54/432031854.db2.gz MWMITXKSAOQOTG-UHFFFAOYSA-N -1 0 320.458 3.218 50 0 DGAARM Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000001773727 180895341 /nfs/dbraw/zinc/89/53/41/180895341.db2.gz FKVUXOZBXDVDAD-UHFFFAOYSA-N -1 0 313.353 3.491 50 0 DGAARM O=C([O-])c1ccc(-c2ccccc2OCCn2ccnc2)s1 ZINC000067650449 432033416 /nfs/dbraw/zinc/03/34/16/432033416.db2.gz ATUKZHGTCVTEMT-UHFFFAOYSA-N -1 0 314.366 3.389 50 0 DGAARM CCOc1cc(C(=O)[O-])ccc1OCCOc1ccccc1 ZINC000003317479 181004424 /nfs/dbraw/zinc/00/44/24/181004424.db2.gz WODYIEDJGMSCBV-UHFFFAOYSA-N -1 0 302.326 3.241 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000003627767 181043102 /nfs/dbraw/zinc/04/31/02/181043102.db2.gz LVMYBRQNWAMAOA-AWEZNQCLSA-N -1 0 321.735 3.425 50 0 DGAARM C[C@H](On1c2cc(Cl)ccc2nc1-c1ccccc1)C(=O)[O-] ZINC000003855709 181050177 /nfs/dbraw/zinc/05/01/77/181050177.db2.gz MKSDCECPVWEHCA-JTQLQIEISA-N -1 0 316.744 3.258 50 0 DGAARM Cc1oc2cc3oc(=O)c(CCC(=O)[O-])c(C)c3cc2c1C ZINC000003881778 181052390 /nfs/dbraw/zinc/05/23/90/181052390.db2.gz SWYMUQMUXITMLU-UHFFFAOYSA-N -1 0 300.310 3.482 50 0 biogenic DGAARM Cc1ccc(C)c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])c1 ZINC000003957447 181059714 /nfs/dbraw/zinc/05/97/14/181059714.db2.gz AKLSDINPRZDWAG-CHWSQXEVSA-N -1 0 307.777 3.475 50 0 DGAARM Cc1ccc(C)c(NC(=O)CSc2ncccc2C(=O)[O-])c1 ZINC000004213084 181085688 /nfs/dbraw/zinc/08/56/88/181085688.db2.gz RLDOUQCKWUTHTQ-UHFFFAOYSA-N -1 0 316.382 3.127 50 0 DGAARM C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004600138 181129088 /nfs/dbraw/zinc/12/90/88/181129088.db2.gz JKMKFVJLYBZSHJ-KBMXLJTQSA-N -1 0 303.402 3.015 50 0 DGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1 ZINC000004698646 181138484 /nfs/dbraw/zinc/13/84/84/181138484.db2.gz BPGCNPVQRHTIAE-CQSZACIVSA-N -1 0 317.341 3.014 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000004744725 181146926 /nfs/dbraw/zinc/14/69/26/181146926.db2.gz ZWDKZZXOWZQYCF-UHFFFAOYSA-N -1 0 311.790 3.463 50 0 DGAARM O=c1[n-]c(CSCc2csc(C3CCCCC3)n2)n[nH]1 ZINC000004783400 181151644 /nfs/dbraw/zinc/15/16/44/181151644.db2.gz UMECILAYXONBPX-UHFFFAOYSA-N -1 0 310.448 3.036 50 0 DGAARM CCOc1ccc(C(=O)[O-])cc1-c1ccc(C(=O)N(C)C)cc1 ZINC000067820830 432042658 /nfs/dbraw/zinc/04/26/58/432042658.db2.gz VDKVZDIVUQXVET-UHFFFAOYSA-N -1 0 313.353 3.152 50 0 DGAARM O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000067868916 432044198 /nfs/dbraw/zinc/04/41/98/432044198.db2.gz BVYKRYSUMWEUGP-KRWDZBQOSA-N -1 0 323.392 3.056 50 0 DGAARM O=C([O-])Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004913274 181172203 /nfs/dbraw/zinc/17/22/03/181172203.db2.gz CLDNFDOJIWQMRN-UHFFFAOYSA-N -1 0 303.745 3.148 50 0 DGAARM CC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])c2ccccc2oc1=O ZINC000005159716 181212142 /nfs/dbraw/zinc/21/21/42/181212142.db2.gz RRZWAMPDGRWRPF-HNNXBMFYSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM O=C([O-])[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000005428535 181242140 /nfs/dbraw/zinc/24/21/40/181242140.db2.gz AOGOMDQWMPGWLX-GOSISDBHSA-N -1 0 322.364 3.043 50 0 DGAARM S=c1[n-]nc(Cc2cccs2)n1-c1ccc2c(c1)OCO2 ZINC000005706065 181274844 /nfs/dbraw/zinc/27/48/44/181274844.db2.gz GGDSNFBKVHYCNP-UHFFFAOYSA-N -1 0 317.395 3.311 50 0 DGAARM COc1cc(/C=C/C(=O)[O-])cc(Br)c1OC(C)C ZINC000005727332 181277267 /nfs/dbraw/zinc/27/72/67/181277267.db2.gz VFHGBHVZPKAHAH-SNAWJCMRSA-N -1 0 315.163 3.343 50 0 DGAARM Cc1cc([O-])c(C2=NCCS[C@@H](c3cccs3)C2)c(=O)o1 ZINC000005730264 181277718 /nfs/dbraw/zinc/27/77/18/181277718.db2.gz IXLQDQHHIWTMFP-CYBMUJFWSA-N -1 0 321.423 3.383 50 0 DGAARM CCCc1nc(C)c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000236932215 202079108 /nfs/dbraw/zinc/07/91/08/202079108.db2.gz WWSWAFSDKHKVRW-LBPRGKRZSA-N -1 0 324.446 3.264 50 0 DGAARM O=C([O-])c1cccnc1SCc1cn2cc(Cl)ccc2n1 ZINC000169300068 432071430 /nfs/dbraw/zinc/07/14/30/432071430.db2.gz CAYBDLUSMMWAFS-UHFFFAOYSA-N -1 0 319.773 3.373 50 0 DGAARM O=C([O-])COc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000004520055 304071381 /nfs/dbraw/zinc/07/13/81/304071381.db2.gz SRHNHCFRRKHACE-UHFFFAOYSA-N -1 0 311.293 3.149 50 0 DGAARM O=C([O-])c1cc2cc(-c3cccc(Cl)c3)ccc2n2nnnc12 ZINC000170622754 295989330 /nfs/dbraw/zinc/98/93/30/295989330.db2.gz VABDDDAVQMRHOC-UHFFFAOYSA-N -1 0 324.727 3.296 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000237638590 202313844 /nfs/dbraw/zinc/31/38/44/202313844.db2.gz FQLPJDZDOBKMAB-FQEVSTJZSA-N -1 0 323.392 3.142 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000237658254 202320038 /nfs/dbraw/zinc/32/00/38/202320038.db2.gz WKMZKUVLZZMXLA-QGZVFWFLSA-N -1 0 315.325 3.009 50 0 DGAARM Cc1ccccc1CCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237719699 202338984 /nfs/dbraw/zinc/33/89/84/202338984.db2.gz CSAIMFJNANWCIE-OAHLLOKOSA-N -1 0 303.402 3.031 50 0 DGAARM Cc1ccc2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])[nH]c2c1 ZINC000237887908 202380629 /nfs/dbraw/zinc/38/06/29/202380629.db2.gz HGXJRQMIXFJXQJ-AWEZNQCLSA-N -1 0 314.385 3.336 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000237904969 202385558 /nfs/dbraw/zinc/38/55/58/202385558.db2.gz UGYYLWWLKFHWRU-MCIONIFRSA-N -1 0 321.442 3.406 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000237907974 202387929 /nfs/dbraw/zinc/38/79/29/202387929.db2.gz RSRYCWKOJPOUCA-BFHYXJOUSA-N -1 0 321.442 3.263 50 0 DGAARM O=C([O-])C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000238020534 202420939 /nfs/dbraw/zinc/42/09/39/202420939.db2.gz BDJWKMYZEXMOQJ-UHFFFAOYSA-N -1 0 321.804 3.085 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)o1 ZINC000435723587 238340692 /nfs/dbraw/zinc/34/06/92/238340692.db2.gz SYNKLEKAUHTZSN-UHFFFAOYSA-N -1 0 309.391 3.009 50 0 DGAARM CCCc1cc(=O)[nH]c(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000006380045 181335927 /nfs/dbraw/zinc/33/59/27/181335927.db2.gz BBPVBBRAZXUBHR-CYBMUJFWSA-N -1 0 304.371 3.053 50 0 DGAARM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccs1 ZINC000195541845 201404109 /nfs/dbraw/zinc/40/41/09/201404109.db2.gz MIVMXAPBJSWPRQ-IAQYHMDHSA-N -1 0 315.394 3.062 50 0 DGAARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cn1 ZINC000006700452 181372998 /nfs/dbraw/zinc/37/29/98/181372998.db2.gz WXBZZZGVUVGEFO-UHFFFAOYSA-N -1 0 320.201 3.011 50 0 DGAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006706450 181375407 /nfs/dbraw/zinc/37/54/07/181375407.db2.gz NGCSCFJDKBVIKD-UHFFFAOYSA-N -1 0 315.366 3.488 50 0 DGAARM COc1ccnc(CNc2cc(C)nc(-c3ccccc3[O-])n2)c1 ZINC000091626271 193081744 /nfs/dbraw/zinc/08/17/44/193081744.db2.gz OIHBMCKRKSYCBR-UHFFFAOYSA-N -1 0 322.368 3.173 50 0 DGAARM CC/C(=C\C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000222114825 201602416 /nfs/dbraw/zinc/60/24/16/201602416.db2.gz NASILOWKIYXTMH-WYMLVPIESA-N -1 0 301.386 3.112 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2[nH]ccc2c1 ZINC000237985104 304142189 /nfs/dbraw/zinc/14/21/89/304142189.db2.gz FFMXZVCLWSTTRB-RCBQFDQVSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nccc2ccccc21 ZINC000299743844 304149727 /nfs/dbraw/zinc/14/97/27/304149727.db2.gz PIOQMYFGRMKRHW-BMFZPTHFSA-N -1 0 324.380 3.093 50 0 DGAARM Cc1cc(Cl)c(C(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000262676549 203379086 /nfs/dbraw/zinc/37/90/86/203379086.db2.gz UDCFXGVQQYSOPZ-UHFFFAOYSA-N -1 0 309.793 3.330 50 0 DGAARM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)c1 ZINC000263226371 203446478 /nfs/dbraw/zinc/44/64/78/203446478.db2.gz CGLGYJDJPNSOLO-QGZVFWFLSA-N -1 0 324.380 3.374 50 0 DGAARM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000263402178 203462950 /nfs/dbraw/zinc/46/29/50/203462950.db2.gz GVQHAELEGGMMOZ-UHFFFAOYSA-N -1 0 313.357 3.028 50 0 DGAARM C[C@@H](Cc1ccc(NC(=O)c2cc(C3CC3)no2)cc1)C(=O)[O-] ZINC000263530478 203476552 /nfs/dbraw/zinc/47/65/52/203476552.db2.gz MDOQWZCIJVIHNL-JTQLQIEISA-N -1 0 314.341 3.068 50 0 DGAARM Cc1csc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C2CC2)n1 ZINC000096479856 193662963 /nfs/dbraw/zinc/66/29/63/193662963.db2.gz BIDIYXDTNANKGQ-CYBMUJFWSA-N -1 0 316.382 3.031 50 0 DGAARM CC(C)Oc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000010683945 181676925 /nfs/dbraw/zinc/67/69/25/181676925.db2.gz DDMFHZODDACATK-STQMWFEESA-N -1 0 305.374 3.303 50 0 DGAARM CC(C)Cc1ccc([C@@H](C)NC(=O)CSCCC(=O)[O-])cc1 ZINC000012743422 181791338 /nfs/dbraw/zinc/79/13/38/181791338.db2.gz KIXLMDYXJPPNFR-CYBMUJFWSA-N -1 0 323.458 3.270 50 0 DGAARM O=c1nc(Nc2cccc(Cl)c2)[n-]nc1Cc1ccccc1 ZINC000016777358 182059932 /nfs/dbraw/zinc/05/99/32/182059932.db2.gz XVFSUHXHOTTWEO-UHFFFAOYSA-N -1 0 312.760 3.153 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004673268 304176061 /nfs/dbraw/zinc/17/60/61/304176061.db2.gz MOQGSCDMYULJCN-NEPJUHHUSA-N -1 0 313.275 3.311 50 0 DGAARM O=C([O-])c1cccnc1Oc1ccc(F)cc1Br ZINC000019256859 182112171 /nfs/dbraw/zinc/11/21/71/182112171.db2.gz XMKITSCHUKBMNC-UHFFFAOYSA-N -1 0 312.094 3.474 50 0 DGAARM Cc1cccc(COc2ccc(C(=O)[O-])nc2Br)c1 ZINC000019872947 182159136 /nfs/dbraw/zinc/15/91/36/182159136.db2.gz TTWAGSZQFRSXRK-UHFFFAOYSA-N -1 0 322.158 3.430 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000020227010 182199433 /nfs/dbraw/zinc/19/94/33/182199433.db2.gz LCGXAOXDMFBGPS-UHFFFAOYSA-N -1 0 301.317 3.024 50 0 DGAARM COc1ccccc1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000020328570 182208458 /nfs/dbraw/zinc/20/84/58/182208458.db2.gz VUEMIUIJBHSNBW-UHFFFAOYSA-N -1 0 315.354 3.450 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000001200936 304181167 /nfs/dbraw/zinc/18/11/67/304181167.db2.gz HCHGYOVZWHVSDY-UWVGGRQHSA-N -1 0 304.371 3.126 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCC2 ZINC000006668229 304181285 /nfs/dbraw/zinc/18/12/85/304181285.db2.gz OHULBSIEGVKYJM-CVEARBPZSA-N -1 0 301.386 3.395 50 0 DGAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000021002463 182258846 /nfs/dbraw/zinc/25/88/46/182258846.db2.gz OZSAMYABZZYOHQ-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000026422337 182440831 /nfs/dbraw/zinc/44/08/31/182440831.db2.gz OQFBNMQTIQOHON-UHFFFAOYSA-N -1 0 311.750 3.447 50 0 DGAARM C[C@@H]1C[C@H](C)CN(C(=O)C[C@@H](CC(=O)[O-])c2ccccc2)C1 ZINC000226750804 297353533 /nfs/dbraw/zinc/35/35/33/297353533.db2.gz IJDRUHJABQUVLE-LZWOXQAQSA-N -1 0 303.402 3.140 50 0 DGAARM O=C([O-])c1cncnc1/C=C/c1ccccc1Br ZINC000040146050 183040267 /nfs/dbraw/zinc/04/02/67/183040267.db2.gz NVUFBAHBQFRHFC-AATRIKPKSA-N -1 0 305.131 3.108 50 0 DGAARM CC[C@](NC(=O)OCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000040546352 183099690 /nfs/dbraw/zinc/09/96/90/183099690.db2.gz IXFSEMHIQVBPOH-GOSISDBHSA-N -1 0 313.353 3.303 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)s1 ZINC000043593784 183374508 /nfs/dbraw/zinc/37/45/08/183374508.db2.gz MHSPUIIHFWRRNL-ZDUSSCGKSA-N -1 0 321.785 3.226 50 0 DGAARM CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)[O-])c21 ZINC000057352326 184034736 /nfs/dbraw/zinc/03/47/36/184034736.db2.gz USXVFASAIRCDRV-UHFFFAOYSA-N -1 0 324.384 3.029 50 0 DGAARM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(Cl)c1O ZINC000058161788 184082832 /nfs/dbraw/zinc/08/28/32/184082832.db2.gz QYPZONZKOAIEDU-NSCUHMNNSA-N -1 0 311.746 3.379 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000058357115 184108505 /nfs/dbraw/zinc/10/85/05/184108505.db2.gz VEAFABBJWBWFNP-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000058518480 184121446 /nfs/dbraw/zinc/12/14/46/184121446.db2.gz RVFXKLKXSWMBDK-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM Cc1ccc(-c2c(C(=O)[O-])nnn2Cc2cccc(F)c2)cc1 ZINC000062317361 184229784 /nfs/dbraw/zinc/22/97/84/184229784.db2.gz CCQLXNDXHYSAGT-UHFFFAOYSA-N -1 0 311.316 3.139 50 0 DGAARM CCCN(CCC)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809279 184289175 /nfs/dbraw/zinc/28/91/75/184289175.db2.gz ZKRIFVCLRHUNAG-UHFFFAOYSA-N -1 0 305.403 3.260 50 0 DGAARM Cc1[nH]c2ccccc2c(=O)c1C[C@H](Cc1ccccc1)C(=O)[O-] ZINC000065365193 184328775 /nfs/dbraw/zinc/32/87/75/184328775.db2.gz SJFMHUZMJHKHAT-HNNXBMFYSA-N -1 0 321.376 3.323 50 0 DGAARM Cc1ccc2ncc(/C=C\c3ncc(C(=O)[O-])c(C(C)C)n3)n2c1 ZINC000255368665 285150537 /nfs/dbraw/zinc/15/05/37/285150537.db2.gz IYDUTQHOSAWLDV-WAYWQWQTSA-N -1 0 322.368 3.425 50 0 DGAARM O=C([O-])C/C(=C\c1csnn1)c1nc2ccccc2s1 ZINC000344029914 254215615 /nfs/dbraw/zinc/21/56/15/254215615.db2.gz CYMLCNJCEWDPLR-VMPITWQZSA-N -1 0 303.368 3.163 50 0 DGAARM O=c1c2c(n(-c3ccccc3)nc1[O-])C(=Cc1ccccc1)CC2 ZINC000006694624 285202151 /nfs/dbraw/zinc/20/21/51/285202151.db2.gz YMPLNNSNTBVOGT-FYWRMAATSA-N -1 0 316.360 3.013 50 0 DGAARM Cc1ccc(-c2nc(C(=O)[N-]c3nc(C4CC4)no3)cs2)o1 ZINC000096407929 256555073 /nfs/dbraw/zinc/55/50/73/256555073.db2.gz NSSKXXWCYIGPBI-UHFFFAOYSA-N -1 0 316.342 3.224 50 0 DGAARM Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)cc1C ZINC000011568023 134498167 /nfs/dbraw/zinc/49/81/67/134498167.db2.gz JMDBUWLNGIPVIZ-HNNXBMFYSA-N -1 0 311.385 3.061 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cn(C)c3ccccc23)cc1 ZINC000003669783 400083855 /nfs/dbraw/zinc/08/38/55/400083855.db2.gz UIPQYMQIPBAPDQ-UHFFFAOYSA-N -1 0 300.383 3.288 50 0 DGAARM O=C([O-])Cc1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000072314390 400380851 /nfs/dbraw/zinc/38/08/51/400380851.db2.gz DYYDJGSHKPZXBH-UHFFFAOYSA-N -1 0 313.740 3.476 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630218762 401220338 /nfs/dbraw/zinc/22/03/38/401220338.db2.gz SSEZMNIHPWCSJT-FPCVCCKLSA-N -1 0 319.376 3.079 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000630272419 401230600 /nfs/dbraw/zinc/23/06/00/401230600.db2.gz KPHBBUKZNAVWOY-JTNHKYCSSA-N -1 0 307.777 3.055 50 0 DGAARM O=C([O-])[C@@H](CC(=O)N1CCCc2ccccc2C1)c1ccccc1 ZINC000634904012 401373147 /nfs/dbraw/zinc/37/31/47/401373147.db2.gz DKGOLKSSCOENBD-SFHVURJKSA-N -1 0 323.392 3.220 50 0 DGAARM O=C([O-])[C@H](CC(=O)N1CCCc2ccccc2C1)c1ccccc1 ZINC000634904011 401373206 /nfs/dbraw/zinc/37/32/06/401373206.db2.gz DKGOLKSSCOENBD-GOSISDBHSA-N -1 0 323.392 3.220 50 0 DGAARM Cc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000000105130 292232029 /nfs/dbraw/zinc/23/20/29/292232029.db2.gz AATJFFJZXDUIAL-SJORKVTESA-N -1 0 306.365 3.165 50 0 biogenic DGAARM CN(C(=O)C1CCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263443866 165866164 /nfs/dbraw/zinc/86/61/64/165866164.db2.gz MYUQRFHKSVWBBS-INIZCTEOSA-N -1 0 303.402 3.111 50 0 DGAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1C(C)C ZINC000190608859 432175260 /nfs/dbraw/zinc/17/52/60/432175260.db2.gz BRPQYLFFAYWYLV-UHFFFAOYSA-N -1 0 321.764 3.376 50 0 DGAARM C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000247199141 432211581 /nfs/dbraw/zinc/21/15/81/432211581.db2.gz QUNKEZSMBNOLRJ-FRRDWIJNSA-N -1 0 307.365 3.236 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000239433990 228617067 /nfs/dbraw/zinc/61/70/67/228617067.db2.gz YWCJWEKQAAACAB-RRFJBIMHSA-N -1 0 303.402 3.372 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000299741051 229377708 /nfs/dbraw/zinc/37/77/08/229377708.db2.gz CLEAIGUJIHZAFG-KRWDZBQOSA-N -1 0 317.316 3.023 50 0 DGAARM O=C([O-])C1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000299745512 229386083 /nfs/dbraw/zinc/38/60/83/229386083.db2.gz ZUUXZZPVEGTONA-UHFFFAOYSA-N -1 0 321.804 3.085 50 0 DGAARM COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000000105660 431124641 /nfs/dbraw/zinc/12/46/41/431124641.db2.gz LUJHUOHOIMEDCE-UHFFFAOYSA-N -1 0 319.401 3.127 50 0 DGAARM O=C([O-])c1ccccc1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000000155674 431136991 /nfs/dbraw/zinc/13/69/91/431136991.db2.gz VOGAXCJOOQXEOM-UHFFFAOYSA-N -1 0 307.309 3.027 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)c2ccccc12 ZINC000000179535 431139938 /nfs/dbraw/zinc/13/99/38/431139938.db2.gz PPGFYRORNRATGP-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM O=C([O-])c1ccc(Cl)c(NC(=O)CC(=O)c2ccccc2)c1 ZINC000000268564 431156953 /nfs/dbraw/zinc/15/69/53/431156953.db2.gz HGEYHHOOQJOSIU-UHFFFAOYSA-N -1 0 317.728 3.250 50 0 DGAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2)c1=O ZINC000001305038 431219558 /nfs/dbraw/zinc/21/95/58/431219558.db2.gz QYFZKBOKFQJLMQ-UHFFFAOYSA-N -1 0 322.364 3.288 50 0 DGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000002581471 431258481 /nfs/dbraw/zinc/25/84/81/431258481.db2.gz ZPTLOCLQIAZRFR-ZDUSSCGKSA-N -1 0 309.362 3.126 50 0 DGAARM CCCCOc1cc(C)cc2oc(=O)c(CC(=O)[O-])c(C)c12 ZINC000001805695 431237660 /nfs/dbraw/zinc/23/76/60/431237660.db2.gz PFJNNWUOSOQKCN-UHFFFAOYSA-N -1 0 304.342 3.216 50 0 DGAARM CC(C)CCCCCOc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC000002106733 431246283 /nfs/dbraw/zinc/24/62/83/431246283.db2.gz MJUZYAWJCUVOOL-OAHLLOKOSA-N -1 0 304.390 3.162 50 0 biogenic DGAARM CCC[C@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)[O-] ZINC000002376984 431250820 /nfs/dbraw/zinc/25/08/20/431250820.db2.gz BOFKKFJIDCHDRH-CYBMUJFWSA-N -1 0 315.373 3.092 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)[O-] ZINC000002560851 431256692 /nfs/dbraw/zinc/25/66/92/431256692.db2.gz MURVSBJYXHTRJQ-LBPRGKRZSA-N -1 0 321.398 3.422 50 0 DGAARM CCCCNc1c(F)cc2c(=O)c(C(=O)[O-])cn(CC)c2c1F ZINC000071316703 431279872 /nfs/dbraw/zinc/27/98/72/431279872.db2.gz MHFDTSYJALIUOZ-UHFFFAOYSA-N -1 0 324.327 3.210 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCCCc1ccccc1 ZINC000003096092 431280826 /nfs/dbraw/zinc/28/08/26/431280826.db2.gz IXLNPBARHKASTP-HZPDHXFCSA-N -1 0 303.402 3.017 50 0 DGAARM O=C([O-])CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071777072 431288093 /nfs/dbraw/zinc/28/80/93/431288093.db2.gz VDYYGCIOYOMVKF-ZDUSSCGKSA-N -1 0 318.200 3.232 50 0 DGAARM C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC000004614626 431300101 /nfs/dbraw/zinc/30/01/01/431300101.db2.gz BRLOPWYLXBHZKT-YRKSKIDTSA-N -1 0 307.434 3.064 50 0 DGAARM CCCC[C@H](CC)c1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC000002783251 431270489 /nfs/dbraw/zinc/27/04/89/431270489.db2.gz XNDJYCLCWHAHFX-JTQLQIEISA-N -1 0 313.423 3.415 50 0 DGAARM COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000002881294 431275732 /nfs/dbraw/zinc/27/57/32/431275732.db2.gz GYTNMLAPBKGDSM-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM CC(C)n1cc2cc([N-]S(=O)(=O)c3cccs3)ccc2n1 ZINC000071914659 431317566 /nfs/dbraw/zinc/31/75/66/431317566.db2.gz CISBADDUQZJDFY-UHFFFAOYSA-N -1 0 321.427 3.480 50 0 DGAARM Cc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000007002298 431327364 /nfs/dbraw/zinc/32/73/64/431327364.db2.gz OHVUIKQJVNZSBV-UHFFFAOYSA-N -1 0 303.402 3.427 50 0 DGAARM O=c1c2ccccc2[n-]c(=S)n1CCc1nc2ccccc2[nH]1 ZINC000007047196 431330013 /nfs/dbraw/zinc/33/00/13/431330013.db2.gz IFLCYSRFFDZSPY-UHFFFAOYSA-N -1 0 322.393 3.178 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000007057426 431333402 /nfs/dbraw/zinc/33/34/02/431333402.db2.gz MTGIXJRPKUBIOW-UHFFFAOYSA-N -1 0 319.382 3.089 50 0 DGAARM CC(C)COC[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073268745 431366735 /nfs/dbraw/zinc/36/67/35/431366735.db2.gz YDOUPWHYTPUFKM-JTQLQIEISA-N -1 0 308.403 3.281 50 0 DGAARM N#CNc1nc(C=Cc2cccs2)nc(-c2ccccc2[O-])n1 ZINC000009051780 431421920 /nfs/dbraw/zinc/42/19/20/431421920.db2.gz BVOFGHLBJNVNMO-BQYQJAHWSA-N -1 0 321.365 3.369 50 0 DGAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(F)ccc1F ZINC000008105833 431379578 /nfs/dbraw/zinc/37/95/78/431379578.db2.gz IOLQSQNGIHHJIH-UHFFFAOYSA-N -1 0 305.252 3.044 50 0 DGAARM Cc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000073853372 431385357 /nfs/dbraw/zinc/38/53/57/431385357.db2.gz KIUSMMJOVUIQIG-UHFFFAOYSA-N -1 0 303.280 3.453 50 0 DGAARM CC1(C)[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)[C@@H]2CCO[C@@H]21 ZINC000073937583 431387810 /nfs/dbraw/zinc/38/78/10/431387810.db2.gz GSSUGLUMUQSOSM-BIMULSAOSA-N -1 0 318.398 3.034 50 0 DGAARM C[C@@H](C1CC1)n1ncc2c1nc(-c1cccnc1)cc2C(=O)[O-] ZINC000008427674 431395918 /nfs/dbraw/zinc/39/59/18/431395918.db2.gz KBFHCWCNXQLXAO-JTQLQIEISA-N -1 0 308.341 3.163 50 0 DGAARM CC[C@H](C)Cn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000009481861 431437926 /nfs/dbraw/zinc/43/79/26/431437926.db2.gz NWQQIAUMXVTPBN-VIFPVBQESA-N -1 0 308.403 3.122 50 0 DGAARM O=C(c1cnc2cc3c(cc2c1)OCCCO3)c1ccccc1[O-] ZINC000009644576 431440292 /nfs/dbraw/zinc/44/02/92/431440292.db2.gz YRKSLSAUKRNNNY-UHFFFAOYSA-N -1 0 321.332 3.333 50 0 DGAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc([O-])c(Cl)c1 ZINC000009721531 431443184 /nfs/dbraw/zinc/44/31/84/431443184.db2.gz AWBPAVBAIPQFEJ-UHFFFAOYSA-N -1 0 314.772 3.499 50 0 DGAARM CC(C)c1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1 ZINC000011730813 431481699 /nfs/dbraw/zinc/48/16/99/431481699.db2.gz XGFDYEVHZWCGNH-UHFFFAOYSA-N -1 0 308.341 3.151 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c(C)c1 ZINC000012420716 431506461 /nfs/dbraw/zinc/50/64/61/431506461.db2.gz LWRPHSSTEIRORZ-UHFFFAOYSA-N -1 0 315.398 3.289 50 0 DGAARM Cc1nc(-c2ccccc2OC(F)(F)F)[n-]c(=O)c1Cl ZINC000013469556 431557370 /nfs/dbraw/zinc/55/73/70/431557370.db2.gz PAXWRKNFOCXVFX-UHFFFAOYSA-N -1 0 304.655 3.297 50 0 DGAARM CC1CCC(NC(=O)CSc2ccccc2C(=O)[O-])CC1 ZINC000012978329 431541329 /nfs/dbraw/zinc/54/13/29/431541329.db2.gz WWSGZZFZEMTTJG-UHFFFAOYSA-N -1 0 307.415 3.172 50 0 DGAARM Cc1c(C(C)(C)C)s/c(=N/C(=O)c2ccccc2[O-])n1C ZINC000013113858 431546595 /nfs/dbraw/zinc/54/65/95/431546595.db2.gz UTQLEGGHINEVLK-BMRADRMJSA-N -1 0 304.415 3.139 50 0 DGAARM O=C([O-])c1ccc([C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000077438563 431593599 /nfs/dbraw/zinc/59/35/99/431593599.db2.gz YMNHVACEMUFBDT-CYBMUJFWSA-N -1 0 302.761 3.427 50 0 DGAARM Cc1cc(C)c(Cn2ccnc2-c2ccc(C(=O)[O-])cc2)cn1 ZINC000077440657 431593762 /nfs/dbraw/zinc/59/37/62/431593762.db2.gz ZYSTVANKFPGURV-UHFFFAOYSA-N -1 0 307.353 3.308 50 0 DGAARM O=C([O-])c1cncc(-n2ccnc2-c2ccnc3ccccc32)c1 ZINC000077438747 431594867 /nfs/dbraw/zinc/59/48/67/431594867.db2.gz LTDNOPQNVHIGON-UHFFFAOYSA-N -1 0 316.320 3.181 50 0 DGAARM CCOc1ccc(-c2ccnc(NC3CCC3)n2)cc1C(=O)[O-] ZINC000077408126 431589412 /nfs/dbraw/zinc/58/94/12/431589412.db2.gz CMQSHLHUASCRAH-UHFFFAOYSA-N -1 0 313.357 3.205 50 0 DGAARM CC(C)(C)c1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])no1 ZINC000017055313 431614829 /nfs/dbraw/zinc/61/48/29/431614829.db2.gz OVTSMGWRJLRZKQ-GSNUKPDKSA-N -1 0 320.389 3.048 50 0 DGAARM O=C([O-])CS[C@@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000027825254 431695348 /nfs/dbraw/zinc/69/53/48/431695348.db2.gz HIEMZBQGQHGDIY-HNNXBMFYSA-N -1 0 300.379 3.298 50 0 DGAARM O=C([O-])CC1(NC(=O)c2cc(Cl)ccc2F)CCCCC1 ZINC000084146657 431818270 /nfs/dbraw/zinc/81/82/70/431818270.db2.gz HICUGUSHVQGIIM-UHFFFAOYSA-N -1 0 313.756 3.387 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000032601960 431785130 /nfs/dbraw/zinc/78/51/30/431785130.db2.gz OKJRHQYTYWBETI-UHFFFAOYSA-N -1 0 321.398 3.325 50 0 DGAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C)cc1 ZINC000036736261 431841069 /nfs/dbraw/zinc/84/10/69/431841069.db2.gz XHXYDKJDAKKDMD-JTQLQIEISA-N -1 0 307.419 3.341 50 0 DGAARM O=C([O-])c1n[nH]c(-c2ccc(Cl)cc2)c1Br ZINC000038478109 431856376 /nfs/dbraw/zinc/85/63/76/431856376.db2.gz NCKRBKPCSIBNOK-UHFFFAOYSA-N -1 0 301.527 3.191 50 0 DGAARM CC(=O)c1cnc(NC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC000089368553 431863833 /nfs/dbraw/zinc/86/38/33/431863833.db2.gz JLJOZKQSDZGFNR-UHFFFAOYSA-N -1 0 314.725 3.096 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253165 431871680 /nfs/dbraw/zinc/87/16/80/431871680.db2.gz KQYQWNLQIHISRS-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM Cc1oc(CNC(=O)[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000089629736 431872817 /nfs/dbraw/zinc/87/28/17/431872817.db2.gz MHMXHIWDJZYGOI-NSHDSACASA-N -1 0 301.342 3.015 50 0 DGAARM CN(Cc1cc(-c2ccccc2)no1)[C@@H](C(=O)[O-])c1ccoc1 ZINC000095366272 431923026 /nfs/dbraw/zinc/92/30/26/431923026.db2.gz JDQATARZHQOENL-MRXNPFEDSA-N -1 0 312.325 3.192 50 0 DGAARM CN(Cc1cc(-c2ccccc2)no1)[C@H](C(=O)[O-])c1ccoc1 ZINC000095366271 431923255 /nfs/dbraw/zinc/92/32/55/431923255.db2.gz JDQATARZHQOENL-INIZCTEOSA-N -1 0 312.325 3.192 50 0 DGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCC3CC3)C2)cc1 ZINC000095364594 431923463 /nfs/dbraw/zinc/92/34/63/431923463.db2.gz PLCPBQOTEWWALS-MRXNPFEDSA-N -1 0 301.386 3.281 50 0 DGAARM CCc1onc(C)c1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000089645658 431874078 /nfs/dbraw/zinc/87/40/78/431874078.db2.gz MRJMCAAQGQSBDZ-NSHDSACASA-N -1 0 308.403 3.091 50 0 DGAARM CCCOc1cc(C)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000048382421 431925454 /nfs/dbraw/zinc/92/54/54/431925454.db2.gz RGQWVNYADJZTDK-KBPBESRZSA-N -1 0 317.385 3.389 50 0 DGAARM Cc1ccc(CC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000095970286 431930141 /nfs/dbraw/zinc/93/01/41/431930141.db2.gz YMVNBCYZXQOQBI-BLLLJJGKSA-N -1 0 317.410 3.177 50 0 DGAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000095970239 431930199 /nfs/dbraw/zinc/93/01/99/431930199.db2.gz QPHAYCVAZRDOKO-AWEZNQCLSA-N -1 0 317.307 3.008 50 0 DGAARM O=C([O-])c1ccc(C(=O)N(CCC(F)(F)F)C2CCC2)cc1 ZINC000095989980 431932857 /nfs/dbraw/zinc/93/28/57/431932857.db2.gz SESABLJLZKEIDG-UHFFFAOYSA-N -1 0 315.291 3.332 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000095989350 431932918 /nfs/dbraw/zinc/93/29/18/431932918.db2.gz DCXCWXWFNSMODT-KSZLIROESA-N -1 0 323.392 3.267 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1 ZINC000096402459 431945134 /nfs/dbraw/zinc/94/51/34/431945134.db2.gz NDDNNYUNQDYROK-BVUGVZOXSA-N -1 0 319.357 3.233 50 0 DGAARM CCOc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1OC ZINC000096402128 431945264 /nfs/dbraw/zinc/94/52/64/431945264.db2.gz BZVNZYIGLJIITL-ALCCZGGFSA-N -1 0 305.355 3.419 50 0 DGAARM O=C([O-])CCOc1cccc(/C=C2/Cc3ccccc3C2=O)c1 ZINC000096402481 431945442 /nfs/dbraw/zinc/94/54/42/431945442.db2.gz ZCNBQFVCHFOPMK-GDNBJRDFSA-N -1 0 308.333 3.363 50 0 DGAARM C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000097036806 431957173 /nfs/dbraw/zinc/95/71/73/431957173.db2.gz MJJCBCYVDLYBKP-LLVKDONJSA-N -1 0 303.383 3.150 50 0 DGAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000097035724 431957255 /nfs/dbraw/zinc/95/72/55/431957255.db2.gz KHZNYMVVDXESQA-BLLLJJGKSA-N -1 0 322.364 3.360 50 0 DGAARM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccs1 ZINC000097039547 431957793 /nfs/dbraw/zinc/95/77/93/431957793.db2.gz VTTJDHUMVVLKNI-LBPRGKRZSA-N -1 0 309.431 3.129 50 0 DGAARM Cc1cc(F)cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000097045163 431958054 /nfs/dbraw/zinc/95/80/54/431958054.db2.gz KJUBZMYXTNWMFM-CYBMUJFWSA-N -1 0 307.365 3.097 50 0 DGAARM CN(C(=O)c1cc(F)c(F)c([O-])c1F)c1ccc2c(c1)CCO2 ZINC000097374924 431967895 /nfs/dbraw/zinc/96/78/95/431967895.db2.gz BVDMELHFKFOMQK-UHFFFAOYSA-N -1 0 323.270 3.021 50 0 DGAARM CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1ccccn1 ZINC000254632932 432403336 /nfs/dbraw/zinc/40/33/36/432403336.db2.gz UQOSBPRTQFFUOA-UHFFFAOYSA-N -1 0 317.356 3.046 50 0 DGAARM Cc1csc([C@H]2CCCCN2C(=O)c2cc(C(=O)[O-])co2)n1 ZINC000262418800 432485249 /nfs/dbraw/zinc/48/52/49/432485249.db2.gz ZZWAVWMTDLGQSH-LLVKDONJSA-N -1 0 320.370 3.110 50 0 DGAARM Cc1nscc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262778239 432501374 /nfs/dbraw/zinc/50/13/74/432501374.db2.gz NQJVJPSZNNXHAU-UHFFFAOYSA-N -1 0 304.371 3.066 50 0 DGAARM Cc1cscc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262944081 432509795 /nfs/dbraw/zinc/50/97/95/432509795.db2.gz GWCFYYBSYHQSRV-LLVKDONJSA-N -1 0 319.382 3.011 50 0 DGAARM COc1cc(C)c(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000263078203 432518400 /nfs/dbraw/zinc/51/84/00/432518400.db2.gz QVIDWKVVZUHKCM-UHFFFAOYSA-N -1 0 320.389 3.077 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000263114096 432521443 /nfs/dbraw/zinc/52/14/43/432521443.db2.gz BOXKXWOMHYUQGX-HRCADAONSA-N -1 0 319.376 3.175 50 0 DGAARM Cc1nc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1C(=O)[O-] ZINC000263299559 432532371 /nfs/dbraw/zinc/53/23/71/432532371.db2.gz CXORYTHXFHSSBI-CQSZACIVSA-N -1 0 316.382 3.127 50 0 DGAARM C[C@H](CN(Cc1ccccc1)C(=O)c1ccsc1)C(=O)[O-] ZINC000195541680 432626699 /nfs/dbraw/zinc/62/66/99/432626699.db2.gz WYCUQELMLXQTPA-GFCCVEGCSA-N -1 0 303.383 3.111 50 0 DGAARM CCCc1onc(C)c1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221724921 432668684 /nfs/dbraw/zinc/66/86/84/432668684.db2.gz RWKHZQWKRAWZDQ-YFHOEESVSA-N -1 0 314.341 3.286 50 0 DGAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1F ZINC000220030800 432665082 /nfs/dbraw/zinc/66/50/82/432665082.db2.gz GDXUGPLCGRWFHL-JTQLQIEISA-N -1 0 301.745 3.242 50 0 DGAARM CCc1c(Br)cc(C(=O)[O-])cc1Br ZINC000170620187 288507161 /nfs/dbraw/zinc/50/71/61/288507161.db2.gz KNSTVDXADOMKQX-UHFFFAOYSA-N -1 0 307.969 3.472 50 0 DGAARM C/C(=C/C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC000236620826 432751047 /nfs/dbraw/zinc/75/10/47/432751047.db2.gz HLCFJFKSHQGRPF-KHPPLWFESA-N -1 0 307.777 3.067 50 0 DGAARM CC[C@@](C)(NC(=O)c1ccccc1)c1nc(C)c(C(=O)[O-])s1 ZINC000241588256 432817573 /nfs/dbraw/zinc/81/75/73/432817573.db2.gz PBISHFKJIKVRBG-MRXNPFEDSA-N -1 0 318.398 3.205 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)o1 ZINC000330499993 432913731 /nfs/dbraw/zinc/91/37/31/432913731.db2.gz MDEFNZYKFRNWPB-UHFFFAOYSA-N -1 0 314.432 3.352 50 0 DGAARM COc1cccc([C@@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000262124030 295312730 /nfs/dbraw/zinc/31/27/30/295312730.db2.gz HAAXVLXDBOMJSP-HIFRSBDPSA-N -1 0 319.401 3.045 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000424223930 434660698 /nfs/dbraw/zinc/66/06/98/434660698.db2.gz IYPKVQZRGROUQE-BBWFWOEESA-N -1 0 309.365 3.041 50 0 DGAARM C[C@@H]1C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000262795766 297339988 /nfs/dbraw/zinc/33/99/88/297339988.db2.gz QPWICQWYMLSZEW-NXEZZACHSA-N -1 0 319.382 3.353 50 0 DGAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC2(C1)CCOCC2 ZINC000081485248 304535175 /nfs/dbraw/zinc/53/51/75/304535175.db2.gz VSFHFRCENNHIDJ-UHFFFAOYSA-N -1 0 318.398 3.133 50 0 DGAARM O=C([O-])C/C(=C/c1cn(C2CCC2)nn1)c1nc2ccccc2o1 ZINC000656612499 435982609 /nfs/dbraw/zinc/98/26/09/435982609.db2.gz BNLXZPXSZPLXBZ-FLIBITNWSA-N -1 0 324.340 3.160 50 0 DGAARM O=C([O-])Cc1cccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 ZINC000659138586 436466773 /nfs/dbraw/zinc/46/67/73/436466773.db2.gz YYFQEGLWCSHJNE-CZUORRHYSA-N -1 0 323.339 3.468 50 0 DGAARM Cc1nc(C(=O)N2CCCCCc3ccccc32)ccc1C(=O)[O-] ZINC000263325199 302550311 /nfs/dbraw/zinc/55/03/11/302550311.db2.gz KDSYWBMQVSANBP-UHFFFAOYSA-N -1 0 324.380 3.461 50 0 DGAARM Nc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000000307536 303506888 /nfs/dbraw/zinc/50/68/88/303506888.db2.gz ZBBJAMXAQOBUGW-UHFFFAOYSA-N -1 0 310.334 3.358 50 0 biogenic DGAARM Cn1cc(/C=C\c2cc(C(=O)[O-])ncn2)c(C2CCCCC2)n1 ZINC000544046556 314170330 /nfs/dbraw/zinc/17/03/30/314170330.db2.gz QYFYFSXYDHQAAP-FPLPWBNLSA-N -1 0 312.373 3.126 50 0 DGAARM Cc1nc([C@H](C)NC(=O)c2ccc(F)c(C)c2)sc1C(=O)[O-] ZINC000097235311 323210628 /nfs/dbraw/zinc/21/06/28/323210628.db2.gz QCDWOPLGFPVXSC-VIFPVBQESA-N -1 0 322.361 3.088 50 0 DGAARM O=C([O-])c1cc(=O)[nH]c2ccc(-c3cccc4c3OCC4)cc21 ZINC000534640137 334311085 /nfs/dbraw/zinc/31/10/85/334311085.db2.gz DSWUWMQFWUDPGA-UHFFFAOYSA-N -1 0 307.305 3.241 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2cccc(F)c2)[C@@H]1C(=O)[O-] ZINC000221031024 546266149 /nfs/dbraw/zinc/26/61/49/546266149.db2.gz ZIKWSBOIRBANGX-TZMCWYRMSA-N -1 0 323.364 3.078 50 0 DGAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000227104627 546269191 /nfs/dbraw/zinc/26/91/91/546269191.db2.gz NJRTUEXXPWWSFV-WAYYCVMKSA-N -1 0 323.751 3.331 50 0 DGAARM C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000239121157 546294257 /nfs/dbraw/zinc/29/42/57/546294257.db2.gz JKMKFVJLYBZSHJ-VNQPRFMTSA-N -1 0 303.402 3.015 50 0 DGAARM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)cn1 ZINC000519183498 546962159 /nfs/dbraw/zinc/96/21/59/546962159.db2.gz RANGBRBURJUNRK-CYBMUJFWSA-N -1 0 317.316 3.144 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H]1CCc2ccccc21 ZINC000679102045 548830314 /nfs/dbraw/zinc/83/03/14/548830314.db2.gz SIEWVFLVSMJLQV-JKSUJKDBSA-N -1 0 315.413 3.352 50 0 DGAARM Cc1cccc(-c2nc(NCc3ccncc3)ncc2C(=O)[O-])c1 ZINC000169751243 563897103 /nfs/dbraw/zinc/89/71/03/563897103.db2.gz YZVMWTPCAPRBLT-UHFFFAOYSA-N -1 0 320.352 3.157 50 0 DGAARM CC(C)(CC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000169987536 563902349 /nfs/dbraw/zinc/90/23/49/563902349.db2.gz FWDYXLNSTFMXDB-UHFFFAOYSA-N -1 0 302.330 3.145 50 0 DGAARM O=C([O-])[C@@H](NC(=O)c1ccc2sccc2c1)c1ccccc1 ZINC000170047938 563902860 /nfs/dbraw/zinc/90/28/60/563902860.db2.gz GAHPAAKJTCWTJM-HNNXBMFYSA-N -1 0 311.362 3.457 50 0 DGAARM COc1ccc(NC(=O)c2ccccc2C(=O)[O-])c2ncccc12 ZINC000003145566 655879186 /nfs/dbraw/zinc/87/91/86/655879186.db2.gz IJGRJUSXEWMZQV-UHFFFAOYSA-N -1 0 322.320 3.194 50 0 DGAARM CC1(C)CCN(c2cc(C(=O)[O-])cc(Br)n2)CC1 ZINC000725347508 655901912 /nfs/dbraw/zinc/90/19/12/655901912.db2.gz IZYJTKSQDLCTJQ-UHFFFAOYSA-N -1 0 313.195 3.169 50 0 DGAARM O=C([O-])c1ccc(CC(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC000263370755 658215828 /nfs/dbraw/zinc/21/58/28/658215828.db2.gz YAXYPEXZRUIAKV-INIZCTEOSA-N -1 0 315.394 3.256 50 0 DGAARM COc1nc2ccccc2nc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001772491328 1197717232 /nfs/dbraw/zinc/71/72/32/1197717232.db2.gz JCUBGVNQXJTREO-DHZHZOJOSA-N -1 0 321.336 3.480 50 0 DGAARM COc1ccc(-c2onc(N3CCC[C@H]3C)c2C(=O)[O-])cc1 ZINC001704308572 1202520224 /nfs/dbraw/zinc/52/02/24/1202520224.db2.gz FDLXIKQRNBABSH-SNVBAGLBSA-N -1 0 302.330 3.037 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)CC2(c3ccccc3)CC2)cc1 ZINC000952849858 1096779513 /nfs/dbraw/zinc/77/95/13/1096779513.db2.gz SZPFDVATNSXTFV-UHFFFAOYSA-N -1 0 309.365 3.123 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1coc2ccccc12 ZINC000324708442 231224547 /nfs/dbraw/zinc/22/45/47/231224547.db2.gz ZYWYEFZUQJBMNB-QGZVFWFLSA-N -1 0 321.332 3.257 50 0 DGAARM O=C(NCCC1=CCOCC1)c1c([O-])cc(Cl)cc1Cl ZINC000095436802 185365067 /nfs/dbraw/zinc/36/50/67/185365067.db2.gz GRSHHDVELGRQDS-UHFFFAOYSA-N -1 0 316.184 3.166 50 0 DGAARM CCc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)o1 ZINC000097019355 185397912 /nfs/dbraw/zinc/39/79/12/185397912.db2.gz KGBOVUOYNOMFOP-AWEZNQCLSA-N -1 0 301.342 3.096 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000097018890 185398069 /nfs/dbraw/zinc/39/80/69/185398069.db2.gz SBYKTCMIVSQZNW-STQMWFEESA-N -1 0 319.744 3.051 50 0 DGAARM CC(C)c1nc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC000097022388 185398600 /nfs/dbraw/zinc/39/86/00/185398600.db2.gz IKPGQPJPKVOOEL-SNVBAGLBSA-N -1 0 318.398 3.456 50 0 DGAARM C[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000097036779 185401009 /nfs/dbraw/zinc/40/10/09/185401009.db2.gz UTGDDKSNIBSGPT-GFCCVEGCSA-N -1 0 317.410 3.299 50 0 DGAARM O=C([O-])c1c(=O)[nH]c2ccccc2c1NCC1CCCCC1 ZINC000170624650 197794372 /nfs/dbraw/zinc/79/43/72/197794372.db2.gz VNQSIUCVQIRBMX-UHFFFAOYSA-N -1 0 300.358 3.219 50 0 DGAARM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236691246 201966811 /nfs/dbraw/zinc/96/68/11/201966811.db2.gz KRNKVTPHGPTMAF-CQSZACIVSA-N -1 0 303.402 3.068 50 0 DGAARM CCCc1cncnc1N1CC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000072162227 191061954 /nfs/dbraw/zinc/06/19/54/191061954.db2.gz NCIONEPAGGFZNS-MRXNPFEDSA-N -1 0 311.385 3.121 50 0 DGAARM CCCc1cncnc1N1CC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000072162226 191062397 /nfs/dbraw/zinc/06/23/97/191062397.db2.gz NCIONEPAGGFZNS-INIZCTEOSA-N -1 0 311.385 3.121 50 0 DGAARM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000000470246 180800472 /nfs/dbraw/zinc/80/04/72/180800472.db2.gz GUTVNEJXRLJFKE-UHFFFAOYSA-N -1 0 303.792 3.211 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1Cl ZINC000002572721 180936457 /nfs/dbraw/zinc/93/64/57/180936457.db2.gz UBRPCCFLMVZEKN-LLVKDONJSA-N -1 0 313.781 3.251 50 0 DGAARM O=C([O-])c1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1 ZINC000002887350 180967855 /nfs/dbraw/zinc/96/78/55/180967855.db2.gz IRRMCEDRCRRSQU-UHFFFAOYSA-N -1 0 319.357 3.396 50 0 DGAARM CCOc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1OCC ZINC000003344807 181008870 /nfs/dbraw/zinc/00/88/70/181008870.db2.gz OBLVZWVKNCXJKD-UHFFFAOYSA-N -1 0 314.337 3.413 50 0 DGAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000003420094 181017546 /nfs/dbraw/zinc/01/75/46/181017546.db2.gz GWLONCIMRIBISJ-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003885378 181052513 /nfs/dbraw/zinc/05/25/13/181052513.db2.gz YVKDNDJJRCHLJY-UHFFFAOYSA-N -1 0 317.197 3.376 50 0 DGAARM Cc1ccc(C)c([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000004040466 181065789 /nfs/dbraw/zinc/06/57/89/181065789.db2.gz GINHWNMIJHCFEI-QZTJIDSGSA-N -1 0 320.392 3.473 50 0 biogenic DGAARM CC(C)=CCOc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000004045132 181066456 /nfs/dbraw/zinc/06/64/56/181066456.db2.gz HFWTWLVOTCMZBS-UHFFFAOYSA-N -1 0 302.326 3.074 50 0 biogenic DGAARM Cc1c(OC(C)C)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000004046618 181066774 /nfs/dbraw/zinc/06/67/74/181066774.db2.gz VGWQUEVLBRNYKL-UHFFFAOYSA-N -1 0 304.342 3.214 50 0 biogenic DGAARM O=C([O-])c1cc(Nc2nc(-c3ccccn3)cs2)ccc1O ZINC000004178377 181082242 /nfs/dbraw/zinc/08/22/42/181082242.db2.gz KWZOQAJDGDTPID-UHFFFAOYSA-N -1 0 313.338 3.353 50 0 DGAARM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(C(=O)[O-])cc1 ZINC000004290733 181093656 /nfs/dbraw/zinc/09/36/56/181093656.db2.gz NWNMSZOJIFFZNT-UHFFFAOYSA-N -1 0 313.744 3.473 50 0 DGAARM COc1cc(C=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000004526036 181120011 /nfs/dbraw/zinc/12/00/11/181120011.db2.gz YJKFUNIQCGBKDY-UHFFFAOYSA-N -1 0 320.728 3.438 50 0 DGAARM Cc1cccc(C)c1NC(=O)CSc1ncccc1C(=O)[O-] ZINC000004538674 181120819 /nfs/dbraw/zinc/12/08/19/181120819.db2.gz BDLDBRMVDSRGOP-UHFFFAOYSA-N -1 0 316.382 3.127 50 0 DGAARM CCOc1ccc([C@H]2Cc3[nH]c(C(=O)[O-])c(C)c3C(=O)C2)cc1 ZINC000004488758 181114516 /nfs/dbraw/zinc/11/45/16/181114516.db2.gz BTLLDCGCSGLKNJ-LBPRGKRZSA-N -1 0 313.353 3.333 50 0 DGAARM COc1cc(C=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000004652996 181131932 /nfs/dbraw/zinc/13/19/32/181131932.db2.gz ZTVYHNLIMZFDRE-UHFFFAOYSA-N -1 0 320.728 3.438 50 0 DGAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccccc1Cl ZINC000005126758 181206191 /nfs/dbraw/zinc/20/61/91/181206191.db2.gz ZYQFQKFOAUSKPF-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM O=C([O-])CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000005237600 181220016 /nfs/dbraw/zinc/22/00/16/181220016.db2.gz MIBWLDBLKXLBHZ-UHFFFAOYSA-N -1 0 318.379 3.241 50 0 DGAARM COC(C)(C)C[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000081458236 192269991 /nfs/dbraw/zinc/26/99/91/192269991.db2.gz SOKNSHWDXBCUNG-VIFPVBQESA-N -1 0 308.403 3.424 50 0 DGAARM CCCc1nc(C)c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000236932061 202079633 /nfs/dbraw/zinc/07/96/33/202079633.db2.gz WWSWAFSDKHKVRW-GFCCVEGCSA-N -1 0 324.446 3.264 50 0 DGAARM COc1ccc([C@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237231421 202197971 /nfs/dbraw/zinc/19/79/71/202197971.db2.gz SWUBSIMNKITSML-ZFWWWQNUSA-N -1 0 319.401 3.045 50 0 DGAARM Cc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(Cl)cc1 ZINC000005943031 181299010 /nfs/dbraw/zinc/29/90/10/181299010.db2.gz RIHVZACGWQSWAH-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM O=C([O-])C[C@H](CC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000057638422 304081381 /nfs/dbraw/zinc/08/13/81/304081381.db2.gz IINPZSXZOOABHC-AWEZNQCLSA-N -1 0 307.365 3.177 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000237658790 202319962 /nfs/dbraw/zinc/31/99/62/202319962.db2.gz AGUYSDZTNZVASO-QGZVFWFLSA-N -1 0 317.316 3.023 50 0 DGAARM CC(C)C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000006049596 181308369 /nfs/dbraw/zinc/30/83/69/181308369.db2.gz HVEBADSBAWLWGN-LLVKDONJSA-N -1 0 302.733 3.100 50 0 DGAARM CC(C)(C)c1nc(C(=O)N(CC(=O)[O-])c2ccccc2)cs1 ZINC000261835652 203128793 /nfs/dbraw/zinc/12/87/93/203128793.db2.gz ZDOWDJPOYHWBRS-UHFFFAOYSA-N -1 0 318.398 3.172 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2[nH]ccc2c1 ZINC000261650681 304149302 /nfs/dbraw/zinc/14/93/02/304149302.db2.gz FFMXZVCLWSTTRB-WQVCFCJDSA-N -1 0 312.369 3.026 50 0 DGAARM COc1cc(NC(=O)c2occc2C(C)C)ccc1C(=O)[O-] ZINC000263003421 203427618 /nfs/dbraw/zinc/42/76/18/203427618.db2.gz RKFACEUYZKSRCI-UHFFFAOYSA-N -1 0 303.314 3.362 50 0 DGAARM CC(C)Oc1ccc(N(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000263559635 203480187 /nfs/dbraw/zinc/48/01/87/203480187.db2.gz BBQRBRRSLOMFDP-UHFFFAOYSA-N -1 0 303.314 3.042 50 0 DGAARM Cc1ccncc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095386785 193442212 /nfs/dbraw/zinc/44/22/12/193442212.db2.gz NGZZSSQHBWGHOZ-MRXNPFEDSA-N -1 0 324.380 3.108 50 0 DGAARM Cn1nc(-c2cccc(Cl)c2)c(Br)c1C(=O)[O-] ZINC000096118809 193545038 /nfs/dbraw/zinc/54/50/38/193545038.db2.gz BDHLCFXIGXKVFI-UHFFFAOYSA-N -1 0 315.554 3.201 50 0 DGAARM O=C(Nc1c(=O)oc2ccccc2c1[O-])c1cccc(Cl)c1 ZINC000009607233 181631136 /nfs/dbraw/zinc/63/11/36/181631136.db2.gz OLUXHDREXNYHFH-UHFFFAOYSA-N -1 0 315.712 3.404 50 0 DGAARM C[C@H](Oc1ccc(-c2cc3ccccc3oc2=O)cc1)C(=O)[O-] ZINC000011766144 181705108 /nfs/dbraw/zinc/70/51/08/181705108.db2.gz OIOBQQFQVATWMH-NSHDSACASA-N -1 0 310.305 3.312 50 0 DGAARM C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)[O-] ZINC000015838451 182021230 /nfs/dbraw/zinc/02/12/30/182021230.db2.gz SOVHQWURWBWHFZ-SNVBAGLBSA-N -1 0 315.354 3.093 50 0 DGAARM O=C(COCc1nc2ccccc2s1)Nc1ccccc1O ZINC000016483082 182046740 /nfs/dbraw/zinc/04/67/40/182046740.db2.gz QYLUXPFWHGQGEC-UHFFFAOYSA-N -1 0 314.366 3.157 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000012767539 304176013 /nfs/dbraw/zinc/17/60/13/304176013.db2.gz DVJFMQJNMPVCAA-KGLIPLIRSA-N -1 0 311.337 3.151 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000000475303 304176246 /nfs/dbraw/zinc/17/62/46/304176246.db2.gz VVSCQFYWYRWFDU-ZJUUUORDSA-N -1 0 313.275 3.311 50 0 DGAARM C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000020481273 182222507 /nfs/dbraw/zinc/22/25/07/182222507.db2.gz ZCCQODJOMKRZOE-MLGOLLRUSA-N -1 0 323.348 3.068 50 0 DGAARM O=C([O-])c1ccc(Oc2ccc(F)cc2Br)nc1 ZINC000022171076 182312205 /nfs/dbraw/zinc/31/22/05/182312205.db2.gz PGPHGIWPCDRYEY-UHFFFAOYSA-N -1 0 312.094 3.474 50 0 DGAARM CC(C)(C)OC(=O)NC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000039395273 183018801 /nfs/dbraw/zinc/01/88/01/183018801.db2.gz CKEIMCIEKVQSSN-LLVKDONJSA-N -1 0 313.781 3.423 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000043583623 183373169 /nfs/dbraw/zinc/37/31/69/183373169.db2.gz GNPQIOWSEQNFKF-SNVBAGLBSA-N -1 0 313.756 3.196 50 0 DGAARM O=C([O-])c1cc(-c2ccsc2)nc2cc3c(cc21)OCCO3 ZINC000012941688 304219716 /nfs/dbraw/zinc/21/97/16/304219716.db2.gz HLEMBUIHYKFHFG-UHFFFAOYSA-N -1 0 313.334 3.433 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000050921382 183807765 /nfs/dbraw/zinc/80/77/65/183807765.db2.gz OJWURUYENRQOGG-LLVKDONJSA-N -1 0 313.756 3.339 50 0 DGAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000058358183 184108959 /nfs/dbraw/zinc/10/89/59/184108959.db2.gz JNBAWRCTGLJEIO-UHFFFAOYSA-N -1 0 302.355 3.245 50 0 DGAARM CCOc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1OC ZINC000058344346 184107039 /nfs/dbraw/zinc/10/70/39/184107039.db2.gz BZVNZYIGLJIITL-FNORWQNLSA-N -1 0 305.355 3.419 50 0 DGAARM C[C@H](CCc1ccc(I)cc1)CC(=O)[O-] ZINC000061829294 184188998 /nfs/dbraw/zinc/18/89/98/184188998.db2.gz WBZDAODJVGVYLV-SECBINFHSA-N -1 0 318.154 3.335 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000097231582 304233930 /nfs/dbraw/zinc/23/39/30/304233930.db2.gz QJGXAHMROYJQEG-GFCCVEGCSA-N -1 0 303.289 3.094 50 0 DGAARM O=C([O-])c1ccc(Cl)c(N2C(=O)Nc3ccccc3N2O)c1 ZINC000002908042 304244451 /nfs/dbraw/zinc/24/44/51/304244451.db2.gz VEJQZSQWRMMPGC-UHFFFAOYSA-N -1 0 319.704 3.201 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000016101358 285045026 /nfs/dbraw/zinc/04/50/26/285045026.db2.gz WMXUKTYEHWVBQB-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccs1)CC3 ZINC000008392411 304251489 /nfs/dbraw/zinc/25/14/89/304251489.db2.gz ZCFDVANFOPABEH-CSKARUKUSA-N -1 0 324.361 3.101 50 0 DGAARM COCc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)o1 ZINC000158399420 197269571 /nfs/dbraw/zinc/26/95/71/197269571.db2.gz GVDMCZPSHLNWBQ-UHFFFAOYSA-N -1 0 304.327 3.108 50 0 DGAARM O=C(COC1CCCCC1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158411351 197269705 /nfs/dbraw/zinc/26/97/05/197269705.db2.gz HYKIASLZAZNHPI-UHFFFAOYSA-N -1 0 306.387 3.404 50 0 DGAARM O=c1c2ccccc2[n-]c(=S)n1CCc1ccc(F)cc1 ZINC000005660106 285210769 /nfs/dbraw/zinc/21/07/69/285210769.db2.gz PHFHBQIKAVAAKJ-UHFFFAOYSA-N -1 0 300.358 3.441 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000237993819 256600259 /nfs/dbraw/zinc/60/02/59/256600259.db2.gz CVMMHFRRYYSORW-LLVKDONJSA-N -1 0 318.348 3.167 50 0 DGAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000066091370 304285264 /nfs/dbraw/zinc/28/52/64/304285264.db2.gz JQVMSLKAANKAEC-ZCFIWIBFSA-N -1 0 310.281 3.243 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C)c1ccccc1 ZINC000001230349 400080286 /nfs/dbraw/zinc/08/02/86/400080286.db2.gz DJKAHODAMHQADM-WPKBUWHJSA-N -1 0 303.402 3.391 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000028463998 400290219 /nfs/dbraw/zinc/29/02/19/400290219.db2.gz BJLHBMRCCBZTJQ-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM O=C([O-])[C@H](Cc1nnc(-c2cccs2)o1)c1ccccc1 ZINC000072307353 400381248 /nfs/dbraw/zinc/38/12/48/400381248.db2.gz OIXJMBWFEFCUAB-LLVKDONJSA-N -1 0 300.339 3.209 50 0 DGAARM COc1cc2[nH]cc(CC(=O)[O-])c2cc1OCc1ccccc1 ZINC000144094104 400639811 /nfs/dbraw/zinc/63/98/11/400639811.db2.gz YDKSAJOYQSQHAU-UHFFFAOYSA-N -1 0 311.337 3.383 50 0 DGAARM COC(=O)c1ccc(/C=C\c2nc(/C=C/C(=O)[O-])cs2)cc1 ZINC000606443963 400913521 /nfs/dbraw/zinc/91/35/21/400913521.db2.gz KQSKZEROBOMPCX-FBFSCSHHSA-N -1 0 315.350 3.198 50 0 DGAARM Cc1nc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000080972170 401009894 /nfs/dbraw/zinc/00/98/94/401009894.db2.gz WIUDOGQJSFQUBG-UHFFFAOYSA-N -1 0 322.455 3.440 50 0 DGAARM CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000232492196 400972123 /nfs/dbraw/zinc/97/21/23/400972123.db2.gz UFDLIRSYZOPOAS-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM C[C@@H](NC(=O)C1CCC=CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000634804610 401351155 /nfs/dbraw/zinc/35/11/55/401351155.db2.gz NFHMPPNHCALCKX-CYBMUJFWSA-N -1 0 317.385 3.074 50 0 DGAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC000634803629 401351189 /nfs/dbraw/zinc/35/11/89/401351189.db2.gz DYGOVEUKKCWGTJ-GFCCVEGCSA-N -1 0 319.357 3.243 50 0 DGAARM CC(C)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262993330 165826819 /nfs/dbraw/zinc/82/68/19/165826819.db2.gz MCJQDDLHIGODCN-TZMCWYRMSA-N -1 0 324.808 3.153 50 0 DGAARM Cc1ccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)o1 ZINC000096313961 226877213 /nfs/dbraw/zinc/87/72/13/226877213.db2.gz LQIABUVNDRFFOU-QDZRJHCZSA-N -1 0 300.310 3.336 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2nccc3ccccc32)c2ccccc21 ZINC000177481830 228331236 /nfs/dbraw/zinc/33/12/36/228331236.db2.gz VUSYZUNDAQTAIS-OAHLLOKOSA-N -1 0 318.332 3.063 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000036638860 425845960 /nfs/dbraw/zinc/84/59/60/425845960.db2.gz LTMWUZXEIDBRAC-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(CC)s2)c1 ZINC000089289680 426285856 /nfs/dbraw/zinc/28/58/56/426285856.db2.gz QYDXFLLRHJAZBT-UHFFFAOYSA-N -1 0 324.427 3.099 50 0 DGAARM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C ZINC000096305737 426412972 /nfs/dbraw/zinc/41/29/72/426412972.db2.gz XRVVVMSXFFLZNC-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2cccc(O)c2oc1=O ZINC000005159760 277954039 /nfs/dbraw/zinc/95/40/39/277954039.db2.gz BHBOXPNWDGYJNB-CQSZACIVSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000035571147 278390441 /nfs/dbraw/zinc/39/04/41/278390441.db2.gz RJSXGIUXOYNBAE-UONOGXRCSA-N -1 0 305.374 3.254 50 0 DGAARM CC1(C)[C@@H](C(=O)N2CCc3ccccc32)CC[C@]1(C)C(=O)[O-] ZINC000000125507 431130604 /nfs/dbraw/zinc/13/06/04/431130604.db2.gz HAUCCCPJLQSBIQ-FZKQIMNGSA-N -1 0 301.386 3.103 50 0 biogenic DGAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000000156460 431137624 /nfs/dbraw/zinc/13/76/24/431137624.db2.gz BIDJVYBDGZDEOU-UHFFFAOYSA-N -1 0 301.289 3.118 50 0 DGAARM N#CCc1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000152831 431135630 /nfs/dbraw/zinc/13/56/30/431135630.db2.gz NWDWVXVQMYTWFR-INIZCTEOSA-N -1 0 322.364 3.340 50 0 DGAARM Cc1ccccc1[C@H]1N[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000000408712 431176099 /nfs/dbraw/zinc/17/60/99/431176099.db2.gz ZWUFJJZEDYFKJZ-IAGOWNOFSA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1cc(=O)oc2cc(O[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000000409113 431178934 /nfs/dbraw/zinc/17/89/34/431178934.db2.gz RDSCEIXRRSASID-QGZVFWFLSA-N -1 0 310.305 3.306 50 0 biogenic DGAARM CCc1ccc(NC(=O)CSc2ncccc2C(=O)[O-])cc1 ZINC000000217972 431146332 /nfs/dbraw/zinc/14/63/32/431146332.db2.gz FWZLCQUCLVZMGD-UHFFFAOYSA-N -1 0 316.382 3.073 50 0 DGAARM COc1ccc(N(C)C(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000000217002 431147170 /nfs/dbraw/zinc/14/71/70/431147170.db2.gz IBARYEVSJRIUFX-UHFFFAOYSA-N -1 0 319.401 3.473 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000000215316 431147442 /nfs/dbraw/zinc/14/74/42/431147442.db2.gz QWANGLOVFHFFIW-IRXDYDNUSA-N -1 0 313.397 3.193 50 0 DGAARM O=S(=O)([N-]c1cccc(Br)c1)c1cccs1 ZINC000000241760 431151634 /nfs/dbraw/zinc/15/16/34/431151634.db2.gz AAZNSWQDBGBKMR-UHFFFAOYSA-N -1 0 318.217 3.311 50 0 DGAARM Cc1ccc(CN(C(=S)NCC(=O)[O-])C2CCCCC2)cc1 ZINC000000266558 431156610 /nfs/dbraw/zinc/15/66/10/431156610.db2.gz JFLJMMNKPSMXPQ-UHFFFAOYSA-N -1 0 320.458 3.089 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000000278471 431160284 /nfs/dbraw/zinc/16/02/84/431160284.db2.gz ASSNTODWRYJKBP-CQSZACIVSA-N -1 0 321.735 3.425 50 0 DGAARM O=C([O-])c1cccc(NC(=O)CSCc2ccccc2)c1 ZINC000001010574 431209487 /nfs/dbraw/zinc/20/94/87/431209487.db2.gz FCDVAMSOVKRPRR-UHFFFAOYSA-N -1 0 301.367 3.257 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1cccc(Cl)c1 ZINC000002385918 431250883 /nfs/dbraw/zinc/25/08/83/431250883.db2.gz APXVJJBVNYZEDD-LBPRGKRZSA-N -1 0 313.781 3.251 50 0 DGAARM Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1 ZINC000002944614 431277273 /nfs/dbraw/zinc/27/72/73/431277273.db2.gz KEAFDTIBGLXITO-UHFFFAOYSA-N -1 0 321.258 3.422 50 0 DGAARM CC1(C)S[C@H](c2ccc(Br)cc2)N[C@@H]1C(=O)[O-] ZINC000003107977 431281744 /nfs/dbraw/zinc/28/17/44/431281744.db2.gz STJQECQLTIFAFF-NXEZZACHSA-N -1 0 316.220 3.016 50 0 DGAARM CCCC[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)[O-])N1C(C)=O ZINC000003173783 431284113 /nfs/dbraw/zinc/28/41/13/431284113.db2.gz SCCFPAMTAIFDLY-CVEARBPZSA-N -1 0 314.385 3.257 50 0 DGAARM CCn1c(N)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 ZINC000005020367 431303992 /nfs/dbraw/zinc/30/39/92/431303992.db2.gz GMQPNNZLOSEVHK-UHFFFAOYSA-N -1 0 304.353 3.147 50 0 DGAARM Cc1occc1-c1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000002656410 431263509 /nfs/dbraw/zinc/26/35/09/431263509.db2.gz FQFZXGQHTAWYDN-UHFFFAOYSA-N -1 0 315.354 3.012 50 0 DGAARM CC1=C(C)C[C@H](C(=O)N2CCc3ccccc3C2)[C@@H](C(=O)[O-])C1 ZINC000006741147 431319274 /nfs/dbraw/zinc/31/92/74/431319274.db2.gz SKTDAYOABRBUAT-IRXDYDNUSA-N -1 0 313.397 3.019 50 0 DGAARM Cc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(O)c1 ZINC000008919208 431416783 /nfs/dbraw/zinc/41/67/83/431416783.db2.gz RNOWWLWEZYGJMZ-SFHVURJKSA-N -1 0 313.353 3.072 50 0 DGAARM CCSc1nn2c([n-]1)nc(-c1ccc(Cl)cc1)cc2=O ZINC000009066939 431419912 /nfs/dbraw/zinc/41/99/12/431419912.db2.gz FFRTXNYZYXOZGJ-UHFFFAOYSA-N -1 0 306.778 3.262 50 0 DGAARM O=C([O-])CCSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000008362738 431396302 /nfs/dbraw/zinc/39/63/02/431396302.db2.gz CGMRUPMJEZMTDV-UHFFFAOYSA-N -1 0 300.339 3.457 50 0 DGAARM CCCOc1cc(S(=O)(=O)[N-]c2ccccn2)c(C)cc1C ZINC000008714658 431408475 /nfs/dbraw/zinc/40/84/75/431408475.db2.gz SFRNEPHGOOTXGZ-UHFFFAOYSA-N -1 0 320.414 3.288 50 0 DGAARM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)c(C)c1C ZINC000008714945 431409650 /nfs/dbraw/zinc/40/96/50/431409650.db2.gz LSUYTDSGAMGGGS-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM COc1ccccc1-c1cc(=O)n2nc(-c3ccccc3)[n-]c2n1 ZINC000009936190 431450174 /nfs/dbraw/zinc/45/01/74/431450174.db2.gz LFOWKCCPQPWYDL-UHFFFAOYSA-N -1 0 318.336 3.173 50 0 DGAARM O=C([O-])CCC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000010470309 431463546 /nfs/dbraw/zinc/46/35/46/431463546.db2.gz QLWBYOJHBXXFCV-UHFFFAOYSA-N -1 0 313.353 3.111 50 0 DGAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000075518890 431482346 /nfs/dbraw/zinc/48/23/46/431482346.db2.gz IIERMDFGBHDOSN-UHFFFAOYSA-N -1 0 317.370 3.087 50 0 DGAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000075518965 431482753 /nfs/dbraw/zinc/48/27/53/431482753.db2.gz IHPWHCFUYCHGHJ-UHFFFAOYSA-N -1 0 317.370 3.087 50 0 DGAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccco3)cc(C(F)F)c12 ZINC000012395298 431507602 /nfs/dbraw/zinc/50/76/02/431507602.db2.gz OZYBAKLSZHDYPR-UHFFFAOYSA-N -1 0 307.256 3.022 50 0 DGAARM O=C([O-])Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(F)F ZINC000012395314 431507892 /nfs/dbraw/zinc/50/78/92/431507892.db2.gz LBZRFWDWIORPRA-UHFFFAOYSA-N -1 0 307.300 3.208 50 0 DGAARM CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013469943 431556530 /nfs/dbraw/zinc/55/65/30/431556530.db2.gz UGHKGBZJVKFHOJ-OLZOCXBDSA-N -1 0 317.385 3.295 50 0 DGAARM CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000013094823 431546677 /nfs/dbraw/zinc/54/66/77/431546677.db2.gz CEIDGDCUGDKULR-UHFFFAOYSA-N -1 0 315.325 3.044 50 0 DGAARM O=C([O-])C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000013175824 431548784 /nfs/dbraw/zinc/54/87/84/431548784.db2.gz IDRSQNRIKMTWKX-JSGCOSHPSA-N -1 0 307.777 3.328 50 0 DGAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000013175830 431549601 /nfs/dbraw/zinc/54/96/01/431549601.db2.gz IDRSQNRIKMTWKX-OCCSQVGLSA-N -1 0 307.777 3.328 50 0 DGAARM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1F ZINC000013389973 431553799 /nfs/dbraw/zinc/55/37/99/431553799.db2.gz GFKDJKUYDJIMMI-GFCCVEGCSA-N -1 0 307.346 3.141 50 0 DGAARM CN(C(=O)CSc1ccccc1)c1ccccc1C(=O)[O-] ZINC000013440595 431555232 /nfs/dbraw/zinc/55/52/32/431555232.db2.gz OXERVVLXEPIHBW-UHFFFAOYSA-N -1 0 301.367 3.140 50 0 DGAARM CN(Cc1ccccc1)Cc1ccnc(Br)c1[O-] ZINC000025559970 431659847 /nfs/dbraw/zinc/65/98/47/431659847.db2.gz YJQZSTMELSLJCI-UHFFFAOYSA-N -1 0 307.191 3.182 50 0 DGAARM O=C([O-])c1cccc(Cl)c1NC(=O)COc1ccccc1 ZINC000016622834 431614113 /nfs/dbraw/zinc/61/41/13/431614113.db2.gz ZBTBSBXHCZTSEV-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000029010774 431713407 /nfs/dbraw/zinc/71/34/07/431713407.db2.gz KXIHXGDYXGUWMP-YUTCNCBUSA-N -1 0 313.353 3.277 50 0 DGAARM CCn1nc(C)c(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c1C ZINC000079943406 431752727 /nfs/dbraw/zinc/75/27/27/431752727.db2.gz JTHBEGSLUQHAKY-ZCOYIIAOSA-N -1 0 303.387 3.245 50 0 DGAARM CCO[N-]C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000029441207 431721992 /nfs/dbraw/zinc/72/19/92/431721992.db2.gz UMWQWJNITHPPCB-KRWDZBQOSA-N -1 0 309.369 3.062 50 0 DGAARM O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1ccccc1 ZINC000032765485 431790768 /nfs/dbraw/zinc/79/07/68/431790768.db2.gz DMLULAZGWSVALE-UHFFFAOYSA-N -1 0 317.395 3.128 50 0 DGAARM O=C([O-])c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000034798149 431820167 /nfs/dbraw/zinc/82/01/67/431820167.db2.gz BJOZFWZVESXAAU-UHFFFAOYSA-N -1 0 310.353 3.217 50 0 DGAARM O=C([O-])[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000034152559 431820439 /nfs/dbraw/zinc/82/04/39/431820439.db2.gz OKFLMULEFDZLKG-WMZOPIPTSA-N -1 0 309.365 3.251 50 0 DGAARM Cc1ccc(C[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000035141835 431826002 /nfs/dbraw/zinc/82/60/02/431826002.db2.gz BJMZTVIKOGEZQZ-CQSZACIVSA-N -1 0 315.344 3.406 50 0 DGAARM C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000044917300 431879292 /nfs/dbraw/zinc/87/92/92/431879292.db2.gz YSRNKYYUPIHNTH-UWVGGRQHSA-N -1 0 317.414 3.116 50 0 DGAARM CCCOc1cc(C)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000048382423 431925436 /nfs/dbraw/zinc/92/54/36/431925436.db2.gz RGQWVNYADJZTDK-UONOGXRCSA-N -1 0 317.385 3.389 50 0 DGAARM C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000089905020 431885004 /nfs/dbraw/zinc/88/50/04/431885004.db2.gz IAIVCHBCZCLTDV-UWVGGRQHSA-N -1 0 315.822 3.218 50 0 DGAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000045923028 431891673 /nfs/dbraw/zinc/89/16/73/431891673.db2.gz MZCOBSRCOSWVSP-CABCVRRESA-N -1 0 315.756 3.335 50 0 DGAARM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000054500366 431971211 /nfs/dbraw/zinc/97/12/11/431971211.db2.gz AKVVKQMTPQWXQV-QGZVFWFLSA-N -1 0 315.369 3.376 50 0 DGAARM CCc1nc2cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc2o1 ZINC000055150512 431977605 /nfs/dbraw/zinc/97/76/05/431977605.db2.gz FDMHQURXIAHADJ-UHFFFAOYSA-N -1 0 304.346 3.220 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1c(F)cccc1Cl ZINC000095945414 431927067 /nfs/dbraw/zinc/92/70/67/431927067.db2.gz WDQHWEIWCICFKY-UHFFFAOYSA-N -1 0 321.160 3.328 50 0 DGAARM Cc1csc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])cc2)n1 ZINC000096479792 431952775 /nfs/dbraw/zinc/95/27/75/431952775.db2.gz SXXLZBKRMXNPOB-AYLMVEPYSA-N -1 0 316.382 3.040 50 0 DGAARM Cc1oc(CN(C)C(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000096480434 431952851 /nfs/dbraw/zinc/95/28/51/431952851.db2.gz WLEWXUBBTNAVSM-UHFFFAOYSA-N -1 0 313.762 3.273 50 0 DGAARM Cc1csc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])cc2)n1 ZINC000096479796 431953114 /nfs/dbraw/zinc/95/31/14/431953114.db2.gz SXXLZBKRMXNPOB-BWNDKRECSA-N -1 0 316.382 3.040 50 0 DGAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccs1 ZINC000096479658 431953332 /nfs/dbraw/zinc/95/33/32/431953332.db2.gz VBFWOXNOOZQLDI-NXEZZACHSA-N -1 0 309.412 3.245 50 0 DGAARM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1F ZINC000097036141 431956969 /nfs/dbraw/zinc/95/69/69/431956969.db2.gz YJISXCMXOYNMIQ-VIFPVBQESA-N -1 0 305.280 3.405 50 0 DGAARM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccs1 ZINC000097039545 431957920 /nfs/dbraw/zinc/95/79/20/431957920.db2.gz VTTJDHUMVVLKNI-GFCCVEGCSA-N -1 0 309.431 3.129 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000097228553 431965441 /nfs/dbraw/zinc/96/54/41/431965441.db2.gz PWUSTOJOPBCQCL-UHFFFAOYSA-N -1 0 319.407 3.437 50 0 DGAARM O=C([O-])c1n[nH]c(-c2ccccc2Cl)c1Br ZINC000053944213 431966004 /nfs/dbraw/zinc/96/60/04/431966004.db2.gz CPCHEKRUYGLQLP-UHFFFAOYSA-N -1 0 301.527 3.191 50 0 DGAARM COc1ccc(OC)c(C([O-])=CC(=O)c2cc(C)ccc2O)c1 ZINC000100474615 431982126 /nfs/dbraw/zinc/98/21/26/431982126.db2.gz YYLCGABXQUDTOG-UHFFFAOYSA-N -1 0 314.337 3.174 50 0 biogenic DGAARM CCCCCn1c2ccccc2c([O-])c(C(=O)OCC)c1=O ZINC000100672805 431982429 /nfs/dbraw/zinc/98/24/29/431982429.db2.gz QSJZIXCXEQQEME-UHFFFAOYSA-N -1 0 303.358 3.074 50 0 DGAARM O=C(c1c([O-])cccc1F)N1CCC(c2nccs2)CC1 ZINC000253430574 432398016 /nfs/dbraw/zinc/39/80/16/432398016.db2.gz WVLPWJUGHYOTJO-UHFFFAOYSA-N -1 0 306.362 3.008 50 0 DGAARM C[C@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000262795770 432503157 /nfs/dbraw/zinc/50/31/57/432503157.db2.gz QPWICQWYMLSZEW-UWVGGRQHSA-N -1 0 319.382 3.353 50 0 DGAARM O=C([O-])/C=C/c1cc(F)c(Br)cc1Br ZINC000263623129 432561472 /nfs/dbraw/zinc/56/14/72/432561472.db2.gz DWHZMRWCHAZOFY-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000263405629 432541064 /nfs/dbraw/zinc/54/10/64/432541064.db2.gz HTIOUGKPLQPGII-KRWDZBQOSA-N -1 0 324.380 3.102 50 0 DGAARM Cc1c(NC(=O)c2ccc(C(=O)[O-])cc2)cnn1C1CCCC1 ZINC000263454299 432547124 /nfs/dbraw/zinc/54/71/24/432547124.db2.gz UESIFAQBBWVFOY-UHFFFAOYSA-N -1 0 313.357 3.257 50 0 DGAARM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1(C)C ZINC000221734086 432668281 /nfs/dbraw/zinc/66/82/81/432668281.db2.gz KBXWDAXWFUPGLA-LZWOXQAQSA-N -1 0 307.434 3.328 50 0 DGAARM Cc1ccccc1N1CC(Nc2cccc(C(=O)[O-])c2)=CC1=O ZINC000227163235 432710606 /nfs/dbraw/zinc/71/06/06/432710606.db2.gz IBWSLIUHYOGYMM-UHFFFAOYSA-N -1 0 308.337 3.036 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1ccccc1 ZINC000237981129 432806725 /nfs/dbraw/zinc/80/67/25/432806725.db2.gz LZXXIOPWYPJSQH-MRXNPFEDSA-N -1 0 303.402 3.255 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000299772697 433383163 /nfs/dbraw/zinc/38/31/63/433383163.db2.gz ALRFAZFOLBZZTP-OUAUKWLOSA-N -1 0 315.398 3.322 50 0 DGAARM CCCCN(Cc1cccc(Cl)c1)C(=O)N[C@H](C)C(=O)[O-] ZINC000426431792 433498682 /nfs/dbraw/zinc/49/86/82/433498682.db2.gz JQUJMZKMPBWJAF-LLVKDONJSA-N -1 0 312.797 3.125 50 0 DGAARM COc1ccc(Cl)cc1CN(C)Cc1ncccc1C(=O)[O-] ZINC000065370604 295144937 /nfs/dbraw/zinc/14/49/37/295144937.db2.gz YLQJKMBKUVZSMO-UHFFFAOYSA-N -1 0 320.776 3.074 50 0 DGAARM O=C(NCc1ccno1)c1c([O-])c(Cl)cc(Cl)c1Cl ZINC000408514045 434580928 /nfs/dbraw/zinc/58/09/28/434580928.db2.gz BWMRPNCOBLEWPZ-UHFFFAOYSA-N -1 0 321.547 3.270 50 0 DGAARM COC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC000649357634 435568638 /nfs/dbraw/zinc/56/86/38/435568638.db2.gz IDSPKVQIKHWEBX-UHFFFAOYSA-N -1 0 311.765 3.326 50 0 DGAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000037435099 300922410 /nfs/dbraw/zinc/92/24/10/300922410.db2.gz YBPGNCLBIIWKLM-JTQLQIEISA-N -1 0 307.346 3.038 50 0 DGAARM Cc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000004085510 301774181 /nfs/dbraw/zinc/77/41/81/301774181.db2.gz LTCDNRNJGSQRKJ-STQMWFEESA-N -1 0 323.414 3.431 50 0 DGAARM Cc1sc(/C=C\c2cc(C(F)(F)F)nn2C)nc1C(=O)[O-] ZINC000663230326 436427690 /nfs/dbraw/zinc/42/76/90/436427690.db2.gz WERBWJMCCUCAOR-ARJAWSKDSA-N -1 0 317.292 3.072 50 0 DGAARM Cc1ccccc1[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000035534060 302226581 /nfs/dbraw/zinc/22/65/81/302226581.db2.gz QWSDKECXUGMZES-KBPBESRZSA-N -1 0 305.374 3.378 50 0 DGAARM O=c1c(-c2nc(-c3ccc(F)cc3)no2)c[n-]c2ccccc21 ZINC000020746119 304815355 /nfs/dbraw/zinc/81/53/55/304815355.db2.gz YRWOHUWNDBLURA-UHFFFAOYSA-N -1 0 307.284 3.384 50 0 DGAARM Cc1cscc1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000097235328 323210295 /nfs/dbraw/zinc/21/02/95/323210295.db2.gz LKARWGZQICIMCC-MRVPVSSYSA-N -1 0 310.400 3.011 50 0 DGAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097228696 323210550 /nfs/dbraw/zinc/21/05/50/323210550.db2.gz BEJRTSVYAFTALM-SJKOYZFVSA-N -1 0 322.364 3.360 50 0 DGAARM O=S(=O)([N-]c1ccc(-c2ccccc2)nn1)c1cccs1 ZINC000191033134 323444813 /nfs/dbraw/zinc/44/48/13/323444813.db2.gz DHFRYQQTOSYJDF-UHFFFAOYSA-N -1 0 317.395 3.006 50 0 DGAARM O=C([O-])c1cncc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000580785103 324039097 /nfs/dbraw/zinc/03/90/97/324039097.db2.gz ODTRKWRBCMICEC-AWEZNQCLSA-N -1 0 317.316 3.144 50 0 DGAARM Cc1c2ccccc2oc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000170580920 533973104 /nfs/dbraw/zinc/97/31/04/533973104.db2.gz MPBWNLJTUJJFOH-HNNXBMFYSA-N -1 0 323.348 3.167 50 0 DGAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCO[C@H]2CCC[C@@H]21 ZINC000073768525 545716383 /nfs/dbraw/zinc/71/63/83/545716383.db2.gz RIUAYJHJTFINDY-STQMWFEESA-N -1 0 318.398 3.274 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc21 ZINC000679102042 548830209 /nfs/dbraw/zinc/83/02/09/548830209.db2.gz SIEWVFLVSMJLQV-CVEARBPZSA-N -1 0 315.413 3.352 50 0 DGAARM COc1ccc(-c2cc(=NCC(=O)[O-])c3ccccc3o2)cc1 ZINC000003884675 618609370 /nfs/dbraw/zinc/60/93/70/618609370.db2.gz ZZMFXBDIIUKDJM-UHFFFAOYSA-N -1 0 309.321 3.094 50 0 DGAARM Cc1ccc2c(cccc2NC(=O)c2ccccc2C(=O)[O-])n1 ZINC000022018651 655589072 /nfs/dbraw/zinc/58/90/72/655589072.db2.gz PLNPZMXILBKJRM-UHFFFAOYSA-N -1 0 306.321 3.494 50 0 DGAARM O=C([O-])c1cccc(CC(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC000262078018 657324131 /nfs/dbraw/zinc/32/41/31/657324131.db2.gz BCONVRFRPUYMBT-QGZVFWFLSA-N -1 0 323.392 3.164 50 0 DGAARM [O-]c1cc(F)c(-c2nc3ccccc3n2CCO)cc1Cl ZINC001772703705 1176671943 /nfs/dbraw/zinc/67/19/43/1176671943.db2.gz ZHZRFJAJOQYSSD-UHFFFAOYSA-N -1 0 306.724 3.194 50 0 DGAARM CN1CC[C@@H](Cc2ccc(-c3cccc(C(=O)[O-])c3)cc2)C1=O ZINC000077010645 185067456 /nfs/dbraw/zinc/06/74/56/185067456.db2.gz NEHPTLICXQVUKX-INIZCTEOSA-N -1 0 309.365 3.073 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)NCCc1cccs1)c1cccs1 ZINC000090607319 185306543 /nfs/dbraw/zinc/30/65/43/185306543.db2.gz MBRFSDVGYDZIJJ-LLVKDONJSA-N -1 0 323.439 3.117 50 0 DGAARM Cc1oc(CN(C)C(=O)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000095425076 185361762 /nfs/dbraw/zinc/36/17/62/185361762.db2.gz OJYCANHNTBSSRD-UHFFFAOYSA-N -1 0 321.760 3.141 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1coc2ccccc12)c1cccs1 ZINC000097017570 185397704 /nfs/dbraw/zinc/39/77/04/185397704.db2.gz YTSQCHMLDASVOH-GFCCVEGCSA-N -1 0 315.350 3.440 50 0 DGAARM CC(C)c1nc(NCc2ccc(F)cc2F)ncc1C(=O)[O-] ZINC000169751230 197748936 /nfs/dbraw/zinc/74/89/36/197748936.db2.gz RXEHFCFJKCUDQK-UHFFFAOYSA-N -1 0 307.300 3.189 50 0 DGAARM CCC[C@@](C)(NC(=O)c1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC000169967331 197762901 /nfs/dbraw/zinc/76/29/01/197762901.db2.gz UYIAJQRGVWFNDQ-QGZVFWFLSA-N -1 0 302.374 3.158 50 0 DGAARM O=C([O-])C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000226750247 201786629 /nfs/dbraw/zinc/78/66/29/201786629.db2.gz UTRARBCPWFGPAZ-HNNXBMFYSA-N -1 0 315.344 3.091 50 0 DGAARM CCOc1ccc(-c2ccnc(N(CC)CC)n2)cc1C(=O)[O-] ZINC000071730610 191018109 /nfs/dbraw/zinc/01/81/09/191018109.db2.gz SNYSNNKJBFWFGY-UHFFFAOYSA-N -1 0 315.373 3.087 50 0 DGAARM O=C([O-])[C@@]1(C/C=C/c2ccccc2)CCCN(c2ncccn2)C1 ZINC000071754355 191025045 /nfs/dbraw/zinc/02/50/45/191025045.db2.gz SYUFOIKIQMYSCF-QFXLTXBMSA-N -1 0 323.396 3.251 50 0 DGAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000140152156 186025366 /nfs/dbraw/zinc/02/53/66/186025366.db2.gz BDLDVMZWIHUIMJ-NWDGAFQWSA-N -1 0 316.382 3.250 50 0 DGAARM Cc1ccc(CN(C)C(=O)c2s[n-]c(=O)c2Cl)s1 ZINC000253404062 186307518 /nfs/dbraw/zinc/30/75/18/186307518.db2.gz CRBWDTDPWQYLAO-UHFFFAOYSA-N -1 0 302.808 3.144 50 0 DGAARM COCCNc1cc(-c2csc(C(=O)[O-])c2)c2cc[nH]c2n1 ZINC000072424547 191159550 /nfs/dbraw/zinc/15/95/50/191159550.db2.gz RDJNLASZKMIVAH-UHFFFAOYSA-N -1 0 317.370 3.048 50 0 DGAARM COc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000000227487 180732268 /nfs/dbraw/zinc/73/22/68/180732268.db2.gz NYTZHEZIHNKDQZ-UHFFFAOYSA-N -1 0 317.366 3.196 50 0 DGAARM O=C([O-])c1cccc(CSc2nnc(-c3ccco3)o2)c1 ZINC000000574181 180825114 /nfs/dbraw/zinc/82/51/14/180825114.db2.gz GTKOLPYHRMDQHN-UHFFFAOYSA-N -1 0 302.311 3.320 50 0 DGAARM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000003269698 180998965 /nfs/dbraw/zinc/99/89/65/180998965.db2.gz RKLNYXBGSUTCSH-LLVKDONJSA-N -1 0 304.173 3.223 50 0 DGAARM CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000003532615 181030562 /nfs/dbraw/zinc/03/05/62/181030562.db2.gz BMXXQJJGJJUEOJ-UHFFFAOYSA-N -1 0 313.325 3.164 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc1 ZINC000004113214 181074520 /nfs/dbraw/zinc/07/45/20/181074520.db2.gz IMNYDJXLPRMHSZ-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1F)C(=O)[O-] ZINC000004240951 181087076 /nfs/dbraw/zinc/08/70/76/181087076.db2.gz JHRPTZRVQXTAPK-KRWDZBQOSA-N -1 0 323.364 3.223 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2F)C[C@H]1C(=O)[O-] ZINC000004241307 181087510 /nfs/dbraw/zinc/08/75/10/181087510.db2.gz YXVFGLMRAXULKI-RISCZKNCSA-N -1 0 323.364 3.078 50 0 DGAARM O=C([O-])c1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000004506542 181116879 /nfs/dbraw/zinc/11/68/79/181116879.db2.gz CEXBCYLBJZXNNN-UHFFFAOYSA-N -1 0 305.127 3.378 50 0 DGAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004553689 181123655 /nfs/dbraw/zinc/12/36/55/181123655.db2.gz QLDGBUNDYTVRIZ-JKSUJKDBSA-N -1 0 315.394 3.054 50 0 DGAARM COc1c(C)cc(S(=O)(=O)[N-]c2ncccc2C)c(C)c1C ZINC000004970564 181181364 /nfs/dbraw/zinc/18/13/64/181181364.db2.gz DHDAWHUXTAVCKY-UHFFFAOYSA-N -1 0 320.414 3.125 50 0 DGAARM Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)[O-])c(C)c12 ZINC000004992267 181186708 /nfs/dbraw/zinc/18/67/08/181186708.db2.gz DMBCHSORXMQXSQ-UHFFFAOYSA-N -1 0 309.369 3.363 50 0 DGAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2cc(O)ccc2oc1=O ZINC000005196632 181215776 /nfs/dbraw/zinc/21/57/76/181215776.db2.gz IQWPEJBUOJQPDE-AWEZNQCLSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM C[C@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000005234689 181219306 /nfs/dbraw/zinc/21/93/06/181219306.db2.gz SIBYGYKKXXTSNV-NSHDSACASA-N -1 0 310.305 3.312 50 0 DGAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005557438 181256865 /nfs/dbraw/zinc/25/68/65/181256865.db2.gz DJHDVRZFANLUQA-UHFFFAOYSA-N -1 0 319.430 3.439 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Br ZINC000005679731 181271577 /nfs/dbraw/zinc/27/15/77/181271577.db2.gz VAEQUGGDYIQASA-NXEZZACHSA-N -1 0 324.174 3.055 50 0 DGAARM Cc1cc(C)cc(OCC(=O)c2c([O-])c3ccccc3oc2=O)c1 ZINC000005730327 181277817 /nfs/dbraw/zinc/27/78/17/181277817.db2.gz KRDMAVVKHGDJRG-UHFFFAOYSA-N -1 0 324.332 3.377 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000005793812 181284351 /nfs/dbraw/zinc/28/43/51/181284351.db2.gz LGACXVYQLUHXOK-ZNMIVQPWSA-N -1 0 301.386 3.148 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC000097000749 304062752 /nfs/dbraw/zinc/06/27/52/304062752.db2.gz WPLNFDHDDSQWIX-OAHLLOKOSA-N -1 0 312.369 3.094 50 0 DGAARM Cc1nn(C)c(C)c1/C=C/c1cc(C(=O)[O-])c2ccccc2n1 ZINC000005938204 181298604 /nfs/dbraw/zinc/29/86/04/181298604.db2.gz WSDYDSSDZGTASG-CMDGGOBGSA-N -1 0 307.353 3.454 50 0 DGAARM O=C([O-])c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000005945361 181299586 /nfs/dbraw/zinc/29/95/86/181299586.db2.gz VUMVMAWMHFAZQZ-IONNQARKSA-N -1 0 317.292 3.303 50 0 DGAARM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000280984691 216004608 /nfs/dbraw/zinc/00/46/08/216004608.db2.gz MHVHPYNLOIJECM-UHFFFAOYSA-N -1 0 317.773 3.057 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000237933551 202394114 /nfs/dbraw/zinc/39/41/14/202394114.db2.gz BOXKXWOMHYUQGX-XHSDSOJGSA-N -1 0 319.376 3.175 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000237905117 202386528 /nfs/dbraw/zinc/38/65/28/202386528.db2.gz RSRYCWKOJPOUCA-MJBXVCDLSA-N -1 0 321.442 3.263 50 0 DGAARM O=C([O-])c1cc(C(=O)N(CC2CCC2)c2ccccc2)ccn1 ZINC000238157560 202447282 /nfs/dbraw/zinc/44/72/82/202447282.db2.gz RNAYNXOBYZOXQG-UHFFFAOYSA-N -1 0 310.353 3.227 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000271923289 209326939 /nfs/dbraw/zinc/32/69/39/209326939.db2.gz WKMZKUVLZZMXLA-KRWDZBQOSA-N -1 0 315.325 3.009 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc2c(O)cccc12 ZINC000012767534 304099905 /nfs/dbraw/zinc/09/99/05/304099905.db2.gz DVJFMQJNMPVCAA-ZIAGYGMSSA-N -1 0 311.337 3.151 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000006330674 181330552 /nfs/dbraw/zinc/33/05/52/181330552.db2.gz KABYKUULLJDORI-RYUDHWBXSA-N -1 0 324.174 3.055 50 0 DGAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2cccs2)no1 ZINC000193934261 201148408 /nfs/dbraw/zinc/14/84/08/201148408.db2.gz GTSGXHBUOTXYGA-QMMMGPOBSA-N -1 0 319.308 3.174 50 0 DGAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)no1 ZINC000006706583 181374986 /nfs/dbraw/zinc/37/49/86/181374986.db2.gz QFCNOEHNJJMXLT-UHFFFAOYSA-N -1 0 316.329 3.051 50 0 DGAARM O=C([O-])CCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000006731756 181379101 /nfs/dbraw/zinc/37/91/01/181379101.db2.gz XOJGRTCWJXFIFJ-UHFFFAOYSA-N -1 0 310.762 3.267 50 0 DGAARM CC1=C(C)C[C@H](C(=O)NCc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000006741454 181380759 /nfs/dbraw/zinc/38/07/59/181380759.db2.gz RSJLGIHYIKURGX-LSDHHAIUSA-N -1 0 321.804 3.403 50 0 DGAARM C[C@H](NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)[O-] ZINC000006764328 181385634 /nfs/dbraw/zinc/38/56/34/181385634.db2.gz IEYZXUCCAQCZEZ-RYUDHWBXSA-N -1 0 315.344 3.186 50 0 DGAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1cc(F)c(Cl)cc1Cl ZINC000262150946 203212855 /nfs/dbraw/zinc/21/28/55/203212855.db2.gz APVZAIWSMWVOPU-LURJTMIESA-N -1 0 320.147 3.175 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000095919623 193449572 /nfs/dbraw/zinc/44/95/72/193449572.db2.gz QDUYSEHCJSUXPE-KRWDZBQOSA-N -1 0 305.374 3.040 50 0 DGAARM CCC(CC)n1nccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095989462 193480528 /nfs/dbraw/zinc/48/05/28/193480528.db2.gz ZEHXDRYRXSALPT-UHFFFAOYSA-N -1 0 301.346 3.195 50 0 DGAARM CC[C@@](C)(NC(=O)c1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000096479834 193662899 /nfs/dbraw/zinc/66/28/99/193662899.db2.gz KYZLIMFOZZOWQV-CQSZACIVSA-N -1 0 324.427 3.266 50 0 DGAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000012560787 181777344 /nfs/dbraw/zinc/77/73/44/181777344.db2.gz MTQYXYQTJNNONO-UHFFFAOYSA-N -1 0 320.414 3.323 50 0 DGAARM CC(C)C[C@@H](NC(=O)c1csc2c1CC[C@H](C)C2)C(=O)[O-] ZINC000012940830 181814171 /nfs/dbraw/zinc/81/41/71/181814171.db2.gz KGRYLNMZCAFGKT-GXFFZTMASA-N -1 0 309.431 3.102 50 0 DGAARM Cc1cc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)[O-])n2n1 ZINC000013645213 181872247 /nfs/dbraw/zinc/87/22/47/181872247.db2.gz DQYJOAWYADQQCL-UHFFFAOYSA-N -1 0 319.267 3.004 50 0 DGAARM COc1ccc(CNc2cccc(C(=O)[O-])c2C)c(OC)c1 ZINC000016579155 182050186 /nfs/dbraw/zinc/05/01/86/182050186.db2.gz JKHBIQLCBCSXJN-UHFFFAOYSA-N -1 0 301.342 3.323 50 0 DGAARM O=C([O-])CSc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000016525665 182048174 /nfs/dbraw/zinc/04/81/74/182048174.db2.gz HHIOGCFJAAMBSU-UHFFFAOYSA-N -1 0 319.363 3.093 50 0 DGAARM CCc1c([O-])nc(S[C@@H](C)CC)n(-c2ccccc2)c1=O ZINC000016662156 182056856 /nfs/dbraw/zinc/05/68/56/182056856.db2.gz UYUYILWKAFCQIO-NSHDSACASA-N -1 0 304.415 3.391 50 0 DGAARM CCn1ncc(Cn2c(=O)c3cc(C)sc3[n-]c2=S)c1C ZINC000017055422 182072732 /nfs/dbraw/zinc/07/27/32/182072732.db2.gz BLTHTYBGALLSKE-UHFFFAOYSA-N -1 0 320.443 3.002 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Br ZINC000005679756 304175711 /nfs/dbraw/zinc/17/57/11/304175711.db2.gz VAEQUGGDYIQASA-UWVGGRQHSA-N -1 0 324.174 3.055 50 0 DGAARM CSc1nn2c([n-]1)nc(C)c(Cc1ccccc1Cl)c2=O ZINC000018077409 182092176 /nfs/dbraw/zinc/09/21/76/182092176.db2.gz GSUFLIAISXRHMO-UHFFFAOYSA-N -1 0 320.805 3.104 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001383645 304175939 /nfs/dbraw/zinc/17/59/39/304175939.db2.gz NUJRBPAPDJJNKE-NEPJUHHUSA-N -1 0 313.275 3.311 50 0 DGAARM CCCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)[n-]n2c1=O ZINC000018223010 182099365 /nfs/dbraw/zinc/09/93/65/182099365.db2.gz OJVVDTQSRGAGOF-UHFFFAOYSA-N -1 0 311.385 3.268 50 0 DGAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000223834620 304178266 /nfs/dbraw/zinc/17/82/66/304178266.db2.gz MELFNLSQDKVVTN-SSDOTTSWSA-N -1 0 308.186 3.134 50 0 DGAARM O=C([O-])[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000020009739 182177018 /nfs/dbraw/zinc/17/70/18/182177018.db2.gz UTDOJHHCXBBGLU-HNNXBMFYSA-N -1 0 303.383 3.013 50 0 DGAARM C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000020096637 182186043 /nfs/dbraw/zinc/18/60/43/182186043.db2.gz KDOXGSOWVZEHFW-ZDUSSCGKSA-N -1 0 313.353 3.282 50 0 DGAARM COc1cc2ncc(C(=O)c3ccccc3[O-])cc2c(OC)c1 ZINC000020094962 182185805 /nfs/dbraw/zinc/18/58/05/182185805.db2.gz KLWDOLPSOHKTGR-UHFFFAOYSA-N -1 0 309.321 3.189 50 0 DGAARM O=c1c(-c2nc(-c3ccccc3F)no2)c[n-]c2ccccc21 ZINC000020738523 182245344 /nfs/dbraw/zinc/24/53/44/182245344.db2.gz SGGIXSPTVQJLNQ-UHFFFAOYSA-N -1 0 307.284 3.384 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000001200938 304181368 /nfs/dbraw/zinc/18/13/68/304181368.db2.gz HCHGYOVZWHVSDY-ZJUUUORDSA-N -1 0 304.371 3.126 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000024183218 182376641 /nfs/dbraw/zinc/37/66/41/182376641.db2.gz OCZPQIDMJJFXHJ-VIFPVBQESA-N -1 0 307.699 3.460 50 0 DGAARM O=C([O-])c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 ZINC000026421980 182440968 /nfs/dbraw/zinc/44/09/68/182440968.db2.gz XEURMBZBBRWJOL-UHFFFAOYSA-N -1 0 312.300 3.289 50 0 DGAARM O=c1nc(CN(Cc2ccco2)C2CC2)[n-]c2ccsc21 ZINC000037176474 182871199 /nfs/dbraw/zinc/87/11/99/182871199.db2.gz ZDVLRQCPUZOTKY-UHFFFAOYSA-N -1 0 301.371 3.155 50 0 DGAARM Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000042653880 183294732 /nfs/dbraw/zinc/29/47/32/183294732.db2.gz KSRDRZAJMFVBIS-MDZDMXLPSA-N -1 0 317.366 3.106 50 0 DGAARM CSc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000043584329 183373139 /nfs/dbraw/zinc/37/31/39/183373139.db2.gz NGQSULOZDVAYKQ-LBPRGKRZSA-N -1 0 307.415 3.126 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000043589660 183373978 /nfs/dbraw/zinc/37/39/78/183373978.db2.gz WFTAGEJXKMPBBQ-ZDUSSCGKSA-N -1 0 309.431 3.174 50 0 DGAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2ccnn21 ZINC000020605028 304219040 /nfs/dbraw/zinc/21/90/40/304219040.db2.gz OZCDIGDSOQWDRL-UHFFFAOYSA-N -1 0 308.124 3.401 50 0 DGAARM Cc1ccc([C@@H](CC(=O)NCCC(=O)[O-])c2ccccc2)cc1 ZINC000055061013 183961057 /nfs/dbraw/zinc/96/10/57/183961057.db2.gz QWKQBKYSGJYGND-KRWDZBQOSA-N -1 0 311.381 3.108 50 0 DGAARM Cc1oc(CN(C)C(=O)C=C2CCC(C)CC2)cc1C(=O)[O-] ZINC000268948364 207112124 /nfs/dbraw/zinc/11/21/24/207112124.db2.gz XRZIVOJAKHQGOR-UHFFFAOYSA-N -1 0 305.374 3.381 50 0 DGAARM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000058173128 184084262 /nfs/dbraw/zinc/08/42/62/184084262.db2.gz JAPDMJQJQRCUKM-UHFFFAOYSA-N -1 0 308.309 3.247 50 0 DGAARM CCc1c(C(=O)[O-])nnn1-c1ccc(Oc2ccccc2)cc1 ZINC000062265838 184226146 /nfs/dbraw/zinc/22/61/46/184226146.db2.gz LNXVTVOXEIUTNR-UHFFFAOYSA-N -1 0 309.325 3.320 50 0 DGAARM CC(C)(C)c1ncc(NC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000064823619 184304004 /nfs/dbraw/zinc/30/40/04/184304004.db2.gz QJPCEAPKDKEGDN-UHFFFAOYSA-N -1 0 305.765 3.385 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1ccc(Br)cc1Cl ZINC000157314603 197179197 /nfs/dbraw/zinc/17/91/97/197179197.db2.gz SILHGJDJRXYTPJ-LLVKDONJSA-N -1 0 318.598 3.152 50 0 DGAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC000154905163 197004439 /nfs/dbraw/zinc/00/44/39/197004439.db2.gz FOHYQFHIEGKASQ-SSDOTTSWSA-N -1 0 302.157 3.035 50 0 DGAARM O=C([O-])c1ccnc(-c2ccnc(NC3CCCCCC3)n2)c1 ZINC000072430462 304272921 /nfs/dbraw/zinc/27/29/21/304272921.db2.gz RMCCQINPEKFIDL-UHFFFAOYSA-N -1 0 312.373 3.372 50 0 DGAARM O=C([O-])c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 ZINC000012732108 257268297 /nfs/dbraw/zinc/26/82/97/257268297.db2.gz YURSYSHAUGRDQJ-UHFFFAOYSA-N -1 0 321.258 3.380 50 0 DGAARM O=C([O-])c1cnn(-c2ccc(Br)cc2)c1C(F)F ZINC000032627338 304279898 /nfs/dbraw/zinc/27/98/98/304279898.db2.gz YQUBAYCPIYXGMD-UHFFFAOYSA-N -1 0 317.089 3.271 50 0 DGAARM Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1Cl ZINC000000312935 292128741 /nfs/dbraw/zinc/12/87/41/292128741.db2.gz CNBJIPBBZOKNFY-UHFFFAOYSA-N -1 0 315.712 3.147 50 0 DGAARM Cc1cc(=O)[nH]c2sc3c([n-]c(C(F)(F)F)cc3=O)c21 ZINC000006705433 400093189 /nfs/dbraw/zinc/09/31/89/400093189.db2.gz QUJXVHMBLNOMRC-UHFFFAOYSA-N -1 0 300.261 3.171 50 0 DGAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000384994578 400260639 /nfs/dbraw/zinc/26/06/39/400260639.db2.gz RELNVANJRBRYQO-POYBYMJQSA-N -1 0 312.163 3.050 50 0 DGAARM COc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1OC ZINC000072312328 400381599 /nfs/dbraw/zinc/38/15/99/400381599.db2.gz WCKSELLTEWAVGC-NSLJXJERSA-N -1 0 317.366 3.429 50 0 DGAARM Cc1ccc(C(=O)c2ccccc2)c(NC(=O)CCC(=O)[O-])c1 ZINC000170091840 400762027 /nfs/dbraw/zinc/76/20/27/400762027.db2.gz JLQSCCNJMUPSAK-UHFFFAOYSA-N -1 0 311.337 3.029 50 0 DGAARM C[C@@H](CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1)C(=O)[O-] ZINC000195551917 400924205 /nfs/dbraw/zinc/92/42/05/400924205.db2.gz QXYYQMVMGXPISQ-VIFPVBQESA-N -1 0 320.776 3.147 50 0 DGAARM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)ccc1Cl ZINC000630134113 401197772 /nfs/dbraw/zinc/19/77/72/401197772.db2.gz PENASEBOGDBVGQ-NWDGAFQWSA-N -1 0 323.776 3.039 50 0 DGAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000630155513 401203384 /nfs/dbraw/zinc/20/33/84/401203384.db2.gz ARPAKBGIOPDTDM-HZSPNIEDSA-N -1 0 321.442 3.201 50 0 DGAARM CCc1nc(C)c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)s1 ZINC000630266166 401229868 /nfs/dbraw/zinc/22/98/68/401229868.db2.gz WBROKJGDTJEWCY-GFCCVEGCSA-N -1 0 324.446 3.025 50 0 DGAARM Cc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c1 ZINC000630283758 401232790 /nfs/dbraw/zinc/23/27/90/401232790.db2.gz UGIBACVKPRZDKU-DZKIICNBSA-N -1 0 301.386 3.019 50 0 DGAARM C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000247199149 432210377 /nfs/dbraw/zinc/21/03/77/432210377.db2.gz QUNKEZSMBNOLRJ-JHJVBQTASA-N -1 0 307.365 3.236 50 0 DGAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000097035680 287384898 /nfs/dbraw/zinc/38/48/98/287384898.db2.gz OHIZMPYOYNXMHC-GTNSWQLSSA-N -1 0 303.358 3.296 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000299739686 229372922 /nfs/dbraw/zinc/37/29/22/229372922.db2.gz AASGPNVYTRGPSG-HRCADAONSA-N -1 0 319.376 3.175 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000299746014 229387813 /nfs/dbraw/zinc/38/78/13/229387813.db2.gz USKLIFZETPVSIL-LBPRGKRZSA-N -1 0 306.749 3.044 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)C/C=C\c2cccc(F)c2)C1 ZINC000347534060 264236692 /nfs/dbraw/zinc/23/66/92/264236692.db2.gz YHRLJSMJYRWGAQ-ZSQCLPQSSA-N -1 0 319.376 3.332 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000035570750 278390485 /nfs/dbraw/zinc/39/04/85/278390485.db2.gz KRTMMQOFFHMEON-CQSZACIVSA-N -1 0 305.374 3.499 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-] ZINC000000388726 278392419 /nfs/dbraw/zinc/39/24/19/278392419.db2.gz JUUNPRGYFCIXSM-QGZVFWFLSA-N -1 0 305.374 3.083 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000035571145 278394522 /nfs/dbraw/zinc/39/45/22/278394522.db2.gz RJSXGIUXOYNBAE-ZIAGYGMSSA-N -1 0 305.374 3.254 50 0 DGAARM O=C([O-])c1cnccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000094478 431121312 /nfs/dbraw/zinc/12/13/12/431121312.db2.gz QZEHURLOFLEITK-UHFFFAOYSA-N -1 0 310.231 3.051 50 0 DGAARM CCc1ccnc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000000129785 431131687 /nfs/dbraw/zinc/13/16/87/431131687.db2.gz FWJWUOOIZFFXQC-UHFFFAOYSA-N -1 0 304.390 3.398 50 0 DGAARM CCOC(=S)[N-]c1ccc(I)cc1 ZINC000000172822 431139137 /nfs/dbraw/zinc/13/91/37/431139137.db2.gz NUCAVEHZZFEYPB-UHFFFAOYSA-N -1 0 307.156 3.025 50 0 DGAARM Cc1cccc(N(C)C(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])c1 ZINC000000201603 431144144 /nfs/dbraw/zinc/14/41/44/431144144.db2.gz JOMYSJZWNOJARV-UHFFFAOYSA-N -1 0 322.364 3.380 50 0 DGAARM O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2[n-]1 ZINC000000196217 431144211 /nfs/dbraw/zinc/14/42/11/431144211.db2.gz DTVHALKMHCNWEA-UHFFFAOYSA-N -1 0 306.774 3.190 50 0 DGAARM COc1ccc2cc(S(=O)(=O)[N-]c3ccccn3)ccc2c1 ZINC000000192078 431141863 /nfs/dbraw/zinc/14/18/63/431141863.db2.gz STISILKYJPIPGX-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)[O-] ZINC000000400390 431176420 /nfs/dbraw/zinc/17/64/20/431176420.db2.gz URYHZOOIDDGVTP-HIEASXQVSA-N -1 0 322.360 3.158 50 0 DGAARM Cc1cc(=O)oc2cc(O[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000000409112 431177766 /nfs/dbraw/zinc/17/77/66/431177766.db2.gz RDSCEIXRRSASID-KRWDZBQOSA-N -1 0 310.305 3.306 50 0 biogenic DGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(Cl)cc1 ZINC000000446099 431182227 /nfs/dbraw/zinc/18/22/27/431182227.db2.gz MDOYUBLKTKFVIF-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])sc2c1 ZINC000000441650 431182608 /nfs/dbraw/zinc/18/26/08/431182608.db2.gz BGHAFOSGELEWAZ-WDEREUQCSA-N -1 0 316.382 3.210 50 0 DGAARM CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000000447258 431183327 /nfs/dbraw/zinc/18/33/27/431183327.db2.gz NLLRVUOAYOKSOF-UHFFFAOYSA-N -1 0 324.405 3.251 50 0 DGAARM COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1C ZINC000000469768 431188129 /nfs/dbraw/zinc/18/81/29/431188129.db2.gz FBMBPYKUZDUEPT-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000001727155 431238016 /nfs/dbraw/zinc/23/80/16/431238016.db2.gz SWKXCTAJZNFNOX-UHFFFAOYSA-N -1 0 307.305 3.496 50 0 DGAARM O=C([O-])CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000002473187 431250608 /nfs/dbraw/zinc/25/06/08/431250608.db2.gz MVWINKVQQSOYMH-UHFFFAOYSA-N -1 0 310.309 3.298 50 0 DGAARM CCCCOC(=O)N=c1[n-]nc(-c2ccc3c(c2)OCO3)s1 ZINC000002945795 431277522 /nfs/dbraw/zinc/27/75/22/431277522.db2.gz MISZWTDTCQAXAI-UHFFFAOYSA-N -1 0 321.358 3.282 50 0 DGAARM CCCCCCc1cc2c(CC(=O)[O-])cc(=O)oc2cc1O ZINC000003133988 431283104 /nfs/dbraw/zinc/28/31/04/431283104.db2.gz ILLPPUJFCMRNFH-UHFFFAOYSA-N -1 0 304.342 3.249 50 0 DGAARM O=C([O-])CS[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000003260120 431290077 /nfs/dbraw/zinc/29/00/77/431290077.db2.gz OTVXCSSEGDVACV-KRWDZBQOSA-N -1 0 313.378 3.159 50 0 DGAARM CC(C)c1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000002884898 431274272 /nfs/dbraw/zinc/27/42/72/431274272.db2.gz XHUAAHOOLFWBLC-KRWDZBQOSA-N -1 0 311.381 3.236 50 0 DGAARM O=S1(=O)[N-]C(SCc2ccccc2)=Nc2ccccc21 ZINC000006918576 431324207 /nfs/dbraw/zinc/32/42/07/431324207.db2.gz DQTHTVGTLJTHCL-UHFFFAOYSA-N -1 0 304.396 3.090 50 0 DGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000007056442 431329098 /nfs/dbraw/zinc/32/90/98/431329098.db2.gz KCGSGYMHGBCXHU-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000007057355 431332773 /nfs/dbraw/zinc/33/27/73/431332773.db2.gz KSWCFUJUGLKRIJ-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM COc1cc2cc(C(=O)c3ccccc3[O-])cnc2cc1OC ZINC000007719339 431361636 /nfs/dbraw/zinc/36/16/36/431361636.db2.gz HCXVLMIOXOSMHW-UHFFFAOYSA-N -1 0 309.321 3.189 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1F ZINC000008105907 431379671 /nfs/dbraw/zinc/37/96/71/431379671.db2.gz CAMYKSZFSKQBIQ-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000008191133 431385410 /nfs/dbraw/zinc/38/54/10/431385410.db2.gz IXHDPTQSEFAXJL-UHFFFAOYSA-N -1 0 308.721 3.149 50 0 DGAARM Cc1cn(C)c(CC(=O)Nc2ccc(C)c(Cl)c2)c1C(=O)[O-] ZINC000008607881 431402039 /nfs/dbraw/zinc/40/20/39/431402039.db2.gz VUNLBDUCNXFBSA-UHFFFAOYSA-N -1 0 320.776 3.175 50 0 DGAARM COc1ccc(-c2cc(=O)n(-c3cccc(C)c3)[n-]2)cc1OC ZINC000010157376 431455614 /nfs/dbraw/zinc/45/56/14/431455614.db2.gz SNABOLIQDZIZRI-UHFFFAOYSA-N -1 0 310.353 3.158 50 0 DGAARM O=C([O-])c1cnc(/C=C/c2nccn2Cc2ccccc2)s1 ZINC000075138845 431458460 /nfs/dbraw/zinc/45/84/60/431458460.db2.gz MEDDDRJUVYDLKJ-VOTSOKGWSA-N -1 0 311.366 3.257 50 0 DGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000010301867 431459726 /nfs/dbraw/zinc/45/97/26/431459726.db2.gz HWEATFSJDZZOSA-UHFFFAOYSA-N -1 0 309.362 3.198 50 0 DGAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000075351828 431470979 /nfs/dbraw/zinc/47/09/79/431470979.db2.gz HGRCFKXWWAURGT-UHFFFAOYSA-N -1 0 323.374 3.078 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000012648876 431523111 /nfs/dbraw/zinc/52/31/11/431523111.db2.gz RAIYJIQGEQQZLD-SNVBAGLBSA-N -1 0 319.279 3.356 50 0 DGAARM CCCOc1ccccc1Nc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000011905828 431488782 /nfs/dbraw/zinc/48/87/82/431488782.db2.gz GCGXODVYFJSAIY-UHFFFAOYSA-N -1 0 322.368 3.364 50 0 DGAARM CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000012017177 431489986 /nfs/dbraw/zinc/48/99/86/431489986.db2.gz KVCRMXMHXVSWTM-FMIVXFBMSA-N -1 0 311.337 3.435 50 0 DGAARM COc1ccccc1[C@@H](Cc1n[n-]c(=S)o1)c1ccco1 ZINC000012321305 431500460 /nfs/dbraw/zinc/50/04/60/431500460.db2.gz LTHSHQAOVNJTTD-LLVKDONJSA-N -1 0 302.355 3.335 50 0 DGAARM C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)P(=O)([O-])[O-])c1ccccc1 ZINC000012998754 431540058 /nfs/dbraw/zinc/54/00/58/431540058.db2.gz BYMKZRBMSWTANU-LRDDRELGSA-N -1 0 323.304 3.395 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000013167528 431549739 /nfs/dbraw/zinc/54/97/39/431549739.db2.gz WYZHCRLAVBVQJS-UHFFFAOYSA-N -1 0 317.316 3.023 50 0 DGAARM CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)[O-] ZINC000013441091 431554482 /nfs/dbraw/zinc/55/44/82/431554482.db2.gz RZWDCSZOZGVDNQ-UHFFFAOYSA-N -1 0 324.130 3.017 50 0 DGAARM Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12 ZINC000005955549 280250885 /nfs/dbraw/zinc/25/08/85/280250885.db2.gz YKOHPEAJECFKSC-UHFFFAOYSA-N -1 0 310.305 3.245 50 0 biogenic DGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc1C ZINC000013948459 431573543 /nfs/dbraw/zinc/57/35/43/431573543.db2.gz FIJQOQTVZDCXQE-UHFFFAOYSA-N -1 0 308.403 3.390 50 0 DGAARM O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000077472383 431600260 /nfs/dbraw/zinc/60/02/60/431600260.db2.gz MKTSNZNWXZIWBI-OAHLLOKOSA-N -1 0 318.348 3.206 50 0 DGAARM CCCNc1nccc(-c2ccc(OCC)c(C(=O)[O-])c2)n1 ZINC000077393769 431592641 /nfs/dbraw/zinc/59/26/41/431592641.db2.gz LKUPVBWJFFODED-UHFFFAOYSA-N -1 0 301.346 3.062 50 0 DGAARM CC1=CC[C@@H](C(=O)[O-])[C@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000026444504 431676346 /nfs/dbraw/zinc/67/63/46/431676346.db2.gz GUJPAOIGOPJEBR-GHMZBOCLSA-N -1 0 316.382 3.292 50 0 DGAARM CCOc1ccc(C(=O)CCNc2ccc(C(=O)[O-])cc2)cc1 ZINC000026959099 431681542 /nfs/dbraw/zinc/68/15/42/431681542.db2.gz CNJNFBQIFIVPGA-UHFFFAOYSA-N -1 0 313.353 3.468 50 0 DGAARM COc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)[O-])cc1 ZINC000025761568 431662152 /nfs/dbraw/zinc/66/21/52/431662152.db2.gz WDPPGJKGVZXLHG-UHFFFAOYSA-N -1 0 312.300 3.385 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1ccncc1 ZINC000032907462 431799068 /nfs/dbraw/zinc/79/90/68/431799068.db2.gz CEVZUUAKDUBVKV-CQSZACIVSA-N -1 0 302.761 3.418 50 0 DGAARM CCCC[C@@H](CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000032945651 431803786 /nfs/dbraw/zinc/80/37/86/431803786.db2.gz XABFXQSMAACBNZ-LLVKDONJSA-N -1 0 321.446 3.159 50 0 DGAARM CCc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000033149153 431808752 /nfs/dbraw/zinc/80/87/52/431808752.db2.gz KZTQXXCQHJOMKG-UHFFFAOYSA-N -1 0 300.343 3.008 50 0 DGAARM CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)[O-])cc1 ZINC000032185718 431773807 /nfs/dbraw/zinc/77/38/07/431773807.db2.gz QIFVASFSMDSDAT-UHFFFAOYSA-N -1 0 301.317 3.006 50 0 DGAARM CC1CCN(c2nc3ccccc3nc2SCC(=O)[O-])CC1 ZINC000036724644 431840763 /nfs/dbraw/zinc/84/07/63/431840763.db2.gz JDHJHDZBQJRJJX-UHFFFAOYSA-N -1 0 317.414 3.043 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000038540372 431856023 /nfs/dbraw/zinc/85/60/23/431856023.db2.gz CALATTICCPJTQS-KGLIPLIRSA-N -1 0 305.374 3.459 50 0 DGAARM Cc1ncc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)s1 ZINC000084290661 431820409 /nfs/dbraw/zinc/82/04/09/431820409.db2.gz JKLOUMNIPQMYSJ-UHFFFAOYSA-N -1 0 322.333 3.271 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000095463907 431926065 /nfs/dbraw/zinc/92/60/65/431926065.db2.gz YPOQPIXYKXZATA-UHFFFAOYSA-N -1 0 313.357 3.257 50 0 DGAARM CCCSCC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095383157 431923776 /nfs/dbraw/zinc/92/37/76/431923776.db2.gz UEBZVNZBTJPTTO-OAHLLOKOSA-N -1 0 321.442 3.234 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1Cl ZINC000048368504 431924358 /nfs/dbraw/zinc/92/43/58/431924358.db2.gz XJUANSQGTNECTL-UHFFFAOYSA-N -1 0 321.789 3.326 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2c(N)cccc2Cl)c(C)c1 ZINC000045165937 431882203 /nfs/dbraw/zinc/88/22/03/431882203.db2.gz LUNWDVZFNLJBDV-UHFFFAOYSA-N -1 0 310.806 3.340 50 0 DGAARM O=C([O-])c1ccc(C2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000045795904 431889979 /nfs/dbraw/zinc/88/99/79/431889979.db2.gz NVPXJYRUHHQCCH-UHFFFAOYSA-N -1 0 301.386 3.281 50 0 DGAARM CC(C)c1nc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cs1 ZINC000095989577 431932751 /nfs/dbraw/zinc/93/27/51/431932751.db2.gz JDIUWKRLCSWGCR-UHFFFAOYSA-N -1 0 308.334 3.356 50 0 DGAARM O=C(Cn1ccnc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000096004061 431933442 /nfs/dbraw/zinc/93/34/42/431933442.db2.gz XIFIRPVUFPXGHA-UHFFFAOYSA-N -1 0 320.563 3.188 50 0 DGAARM CCCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCC2 ZINC000049467050 431940117 /nfs/dbraw/zinc/94/01/17/431940117.db2.gz BGNZXLDNFOKYHZ-HNNXBMFYSA-N -1 0 301.386 3.424 50 0 DGAARM O=C([O-])c1cnc(/C=C\c2cnn(Cc3ccccc3)c2)s1 ZINC000096402123 431945453 /nfs/dbraw/zinc/94/54/53/431945453.db2.gz GMEIQBVPBANFPE-SREVYHEPSA-N -1 0 311.366 3.257 50 0 DGAARM Cc1nc(C)c(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)o1 ZINC000096474066 431952339 /nfs/dbraw/zinc/95/23/39/431952339.db2.gz HKUMGLLPSCXJMD-UHFFFAOYSA-N -1 0 300.236 3.268 50 0 DGAARM Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096479491 431953257 /nfs/dbraw/zinc/95/32/57/431953257.db2.gz CRBGGEFONGVWSX-LBPRGKRZSA-N -1 0 322.430 3.046 50 0 DGAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000097035904 431956826 /nfs/dbraw/zinc/95/68/26/431956826.db2.gz SFKVXILLGUNWRQ-STQMWFEESA-N -1 0 319.382 3.076 50 0 DGAARM Cc1cscc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000097035741 431957203 /nfs/dbraw/zinc/95/72/03/431957203.db2.gz WEWLPVRXNUABAC-SMDDNHRTSA-N -1 0 303.383 3.248 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000097035848 431957350 /nfs/dbraw/zinc/95/73/50/431957350.db2.gz QIRDMHDXPJEURN-ZIAGYGMSSA-N -1 0 315.394 3.175 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097039530 431957647 /nfs/dbraw/zinc/95/76/47/431957647.db2.gz SZHIQMHPAWRCRO-MGPQQGTHSA-N -1 0 321.442 3.263 50 0 DGAARM O=C([O-])/C=C\CC(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000097241049 431966232 /nfs/dbraw/zinc/96/62/32/431966232.db2.gz CNFPCHMSANGDOR-KTAJNNJTSA-N -1 0 317.366 3.297 50 0 DGAARM COc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1F ZINC000252497831 432380202 /nfs/dbraw/zinc/38/02/02/432380202.db2.gz BSEMFXCCMUMHTR-UHFFFAOYSA-N -1 0 302.305 3.369 50 0 DGAARM CC(=NNc1ccccc1C(=O)[O-])c1cn(C(C)(C)C)nc1C ZINC000252504767 432381751 /nfs/dbraw/zinc/38/17/51/432381751.db2.gz GJRSFZGUXNMSHA-UHFFFAOYSA-N -1 0 314.389 3.481 50 0 DGAARM COc1ccc(O)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000254624095 432403756 /nfs/dbraw/zinc/40/37/56/432403756.db2.gz NXYZQWQENVXRDO-UHFFFAOYSA-N -1 0 320.732 3.198 50 0 DGAARM CCCOc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000261713286 432443439 /nfs/dbraw/zinc/44/34/39/432443439.db2.gz LEBJARYDKRFPIM-UHFFFAOYSA-N -1 0 320.389 3.240 50 0 DGAARM Cc1cc(C)cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000193099526 432448303 /nfs/dbraw/zinc/44/83/03/432448303.db2.gz GNSXPLXHOCPNKJ-IBGZPJMESA-N -1 0 311.381 3.076 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)c(C)s1 ZINC000272413830 432496767 /nfs/dbraw/zinc/49/67/67/432496767.db2.gz MAIWGUMDXGLJLF-UHFFFAOYSA-N -1 0 321.374 3.135 50 0 DGAARM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])o1 ZINC000262797171 432503029 /nfs/dbraw/zinc/50/30/29/432503029.db2.gz NTRWTZMPNHMIIV-ZJUUUORDSA-N -1 0 317.316 3.265 50 0 DGAARM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1c([O-])cccc1F ZINC000185478185 432503331 /nfs/dbraw/zinc/50/33/31/432503331.db2.gz DENAJPMHDWKVFR-UHFFFAOYSA-N -1 0 322.723 3.395 50 0 DGAARM CCc1oc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1C ZINC000262922661 432509037 /nfs/dbraw/zinc/50/90/37/432509037.db2.gz KOSZQTCRUSDOBI-UHFFFAOYSA-N -1 0 303.314 3.110 50 0 DGAARM O=C([O-])C1CCC(NC(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000262973169 432511100 /nfs/dbraw/zinc/51/11/00/432511100.db2.gz AUHAKMPJTSOJGY-UHFFFAOYSA-N -1 0 323.418 3.176 50 0 DGAARM COc1cc(NC(=O)c2c(C)noc2C(C)C)ccc1C(=O)[O-] ZINC000261976385 432466266 /nfs/dbraw/zinc/46/62/66/432466266.db2.gz ZPGHVGNEAXYIOV-UHFFFAOYSA-N -1 0 318.329 3.066 50 0 DGAARM O=C([O-])C1CCC(Nc2ccc(N3CCCCC3)cn2)CC1 ZINC000263508762 432549870 /nfs/dbraw/zinc/54/98/70/432549870.db2.gz YABWFKUYUBFGKK-UHFFFAOYSA-N -1 0 303.406 3.127 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(s2)CCC3)c2ccccc21 ZINC000177483324 432629065 /nfs/dbraw/zinc/62/90/65/432629065.db2.gz LWWTZPYCMVEVRC-GFCCVEGCSA-N -1 0 313.378 3.065 50 0 DGAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000097035681 288388618 /nfs/dbraw/zinc/38/86/18/288388618.db2.gz OHIZMPYOYNXMHC-APPDUMDISA-N -1 0 303.358 3.296 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)CCc1ccsc1)c1ccc(F)cc1 ZINC000225441695 432691145 /nfs/dbraw/zinc/69/11/45/432691145.db2.gz DDHLYZZPVLKAFI-CQSZACIVSA-N -1 0 321.373 3.152 50 0 DGAARM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000225441522 432691715 /nfs/dbraw/zinc/69/17/15/432691715.db2.gz JFEVHKUNNKVKPY-GFCCVEGCSA-N -1 0 307.346 3.141 50 0 DGAARM CC(C)(C)c1cc(CN2CCc3sc(C(=O)[O-])cc3C2)[nH]n1 ZINC000244899753 432824329 /nfs/dbraw/zinc/82/43/29/432824329.db2.gz ZPLNEJASMMPCKO-UHFFFAOYSA-N -1 0 319.430 3.025 50 0 DGAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc2cc[nH]c2c1 ZINC000237615393 432794512 /nfs/dbraw/zinc/79/45/12/432794512.db2.gz VHKNCCWLDZZWMO-QGZVFWFLSA-N -1 0 322.364 3.422 50 0 DGAARM Cn1ccc2c1cccc2C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237809300 432800533 /nfs/dbraw/zinc/80/05/33/432800533.db2.gz GSWNJIQOKUXTLG-CYBMUJFWSA-N -1 0 314.385 3.038 50 0 DGAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000238130724 432813437 /nfs/dbraw/zinc/81/34/37/432813437.db2.gz ADCKZSWWYWWWKZ-NWDGAFQWSA-N -1 0 315.291 3.236 50 0 DGAARM CC[C@](C)(NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(C)cs1 ZINC000245746998 432859823 /nfs/dbraw/zinc/85/98/23/432859823.db2.gz STFMPNMBMUJILY-HSMVNMDESA-N -1 0 324.446 3.084 50 0 DGAARM O=S(=O)(Nc1ccc(OC(F)F)cc1F)c1cccs1 ZINC000330032033 432889509 /nfs/dbraw/zinc/88/95/09/432889509.db2.gz HJAUCNZYGGUBLV-UHFFFAOYSA-N -1 0 323.317 3.289 50 0 DGAARM Cc1sc2[n-]c(-c3nc[nH]n3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000102747987 294079674 /nfs/dbraw/zinc/07/96/74/294079674.db2.gz RYRKBWLUVFMUKN-UHFFFAOYSA-N -1 0 323.381 3.054 50 0 DGAARM COc1cc2[n-]c(=S)n(C3CCCC3)c(=O)c2cc1OC ZINC000002340769 295028343 /nfs/dbraw/zinc/02/83/43/295028343.db2.gz RVOZCCUSTXSIEM-UHFFFAOYSA-N -1 0 306.387 3.191 50 0 DGAARM Cc1noc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1C ZINC000408513405 434582026 /nfs/dbraw/zinc/58/20/26/434582026.db2.gz CSRQJJYSEDLZBO-UHFFFAOYSA-N -1 0 324.333 3.286 50 0 DGAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)N2CCCCCC2)cc1 ZINC000223101716 295239991 /nfs/dbraw/zinc/23/99/91/295239991.db2.gz YYLRXLPEFLSABM-HNNXBMFYSA-N -1 0 319.401 3.046 50 0 DGAARM CCC[C@H](C(=O)[O-])[S@@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000408520270 434583604 /nfs/dbraw/zinc/58/36/04/434583604.db2.gz ZPJQMECHCRIOPD-GIPWTMENSA-N -1 0 308.321 3.207 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc2ccncc21 ZINC000647734137 436111307 /nfs/dbraw/zinc/11/13/07/436111307.db2.gz SOEOXIXPKXVEIN-AWEZNQCLSA-N -1 0 312.369 3.094 50 0 DGAARM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237750163 301017197 /nfs/dbraw/zinc/01/71/97/301017197.db2.gz HXKSIHIIOZKRKF-LLVKDONJSA-N -1 0 307.346 3.038 50 0 DGAARM Cc1ccc(CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331757 436163042 /nfs/dbraw/zinc/16/30/42/436163042.db2.gz VYRILMXPZWSIGQ-HUUCEWRRSA-N -1 0 315.394 3.028 50 0 DGAARM Cc1cc(C)c2c(nn3c2nc(-c2ccccc2)cc3C(=O)[O-])n1 ZINC000013645379 301213460 /nfs/dbraw/zinc/21/34/60/301213460.db2.gz YNGJARIOYANMIZ-UHFFFAOYSA-N -1 0 318.336 3.260 50 0 DGAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)c1 ZINC000065215142 301226968 /nfs/dbraw/zinc/22/69/68/301226968.db2.gz HNKSHWHJAZESHS-UHFFFAOYSA-N -1 0 314.366 3.164 50 0 DGAARM Cc1cc(C)nc(Nc2ccc(Br)cc2C(=O)[O-])n1 ZINC000000150078 301265833 /nfs/dbraw/zinc/26/58/33/301265833.db2.gz PIHHZGSKJLIUAI-UHFFFAOYSA-N -1 0 322.162 3.298 50 0 DGAARM Cc1cc([O-])c(SC(F)(F)[C@@H](F)C(F)(F)F)c(=O)o1 ZINC000005722049 301369780 /nfs/dbraw/zinc/36/97/80/301369780.db2.gz QCYHTXABVWADTN-ZETCQYMHSA-N -1 0 308.199 3.239 50 0 DGAARM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000000814426 304767757 /nfs/dbraw/zinc/76/77/57/304767757.db2.gz HPLUYJOCUCXWLK-UHFFFAOYSA-N -1 0 307.762 3.017 50 0 DGAARM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)nc1 ZINC000659121792 436463687 /nfs/dbraw/zinc/46/36/87/436463687.db2.gz STIUGFSEOFYXAG-ZDUSSCGKSA-N -1 0 318.398 3.212 50 0 DGAARM NC(=O)N1C(=O)C(=C([O-])c2cccs2)c2cc(Cl)ccc21 ZINC000100001953 303262718 /nfs/dbraw/zinc/26/27/18/303262718.db2.gz LXIKEPCNDFVJKC-QXMHVHEDSA-N -1 0 320.757 3.253 50 0 in-man DGAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1ccccc1 ZINC000100433180 304816304 /nfs/dbraw/zinc/81/63/04/304816304.db2.gz LAADWZIYYAUINP-UHFFFAOYSA-N -1 0 302.786 3.387 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000097231509 323210389 /nfs/dbraw/zinc/21/03/89/323210389.db2.gz CGTWMJVLPXFUFW-AWEZNQCLSA-N -1 0 313.353 3.215 50 0 DGAARM CCc1ccsc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000097235289 323210635 /nfs/dbraw/zinc/21/06/35/323210635.db2.gz OIWKVORLTUZRMS-QMMMGPOBSA-N -1 0 324.427 3.265 50 0 DGAARM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC000195551745 323491209 /nfs/dbraw/zinc/49/12/09/323491209.db2.gz NFSWXVLRVCPEAF-MRVPVSSYSA-N -1 0 322.386 3.223 50 0 DGAARM CCO[C@H](C)c1ccc(-c2cnc3nc(C(=O)[O-])cn3c2)cc1 ZINC000534641421 334311429 /nfs/dbraw/zinc/31/14/29/334311429.db2.gz PKZKIUCCQCCPOG-LLVKDONJSA-N -1 0 311.341 3.192 50 0 DGAARM O=C(Nc1cnn(CC(F)F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000081045953 545767185 /nfs/dbraw/zinc/76/71/85/545767185.db2.gz VWQMSTUSDHBITP-UHFFFAOYSA-N -1 0 324.312 3.204 50 0 DGAARM Cc1onc(-c2cccc(Br)c2F)c1C(=O)[O-] ZINC000206157208 563565935 /nfs/dbraw/zinc/56/59/35/563565935.db2.gz YGAWIJLESNYLNL-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM O=C([O-])c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000299760675 563805049 /nfs/dbraw/zinc/80/50/49/563805049.db2.gz WNUMBMBHZLLMSF-UHFFFAOYSA-N -1 0 324.315 3.044 50 0 DGAARM CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000115059485 621078821 /nfs/dbraw/zinc/07/88/21/621078821.db2.gz VTRHKINHJPREQQ-UHFFFAOYSA-N -1 0 316.151 3.494 50 0 DGAARM Cc1oc(CNC(=O)C/C=C/c2ccc(C)cc2)cc1C(=O)[O-] ZINC000095989481 658681531 /nfs/dbraw/zinc/68/15/31/658681531.db2.gz FSHXRPFATJLHHX-ONEGZZNKSA-N -1 0 313.353 3.314 50 0 DGAARM CC(C)Sc1nnc([N-]C(=O)c2cc(C3CC3)no2)s1 ZINC001529166864 1187538669 /nfs/dbraw/zinc/53/86/69/1187538669.db2.gz BIUQLNYSZRPXDO-UHFFFAOYSA-N -1 0 310.404 3.156 50 0 DGAARM CC(C)c1ccc(-n2nnc(C(=O)[O-])c2-c2cccnc2)cc1 ZINC000062267961 432003336 /nfs/dbraw/zinc/00/33/36/432003336.db2.gz XXFNXXCJANLVRA-UHFFFAOYSA-N -1 0 308.341 3.151 50 0 DGAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2ccccn2)cc1Cl ZINC000095389177 185351211 /nfs/dbraw/zinc/35/12/11/185351211.db2.gz DLLQOYZLAQJQSZ-OAHLLOKOSA-N -1 0 320.776 3.001 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097001627 185396110 /nfs/dbraw/zinc/39/61/10/185396110.db2.gz RHUXXYLDEYMSCC-INIZCTEOSA-N -1 0 308.337 3.114 50 0 DGAARM CO[C@@H](C)c1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000095424350 185361405 /nfs/dbraw/zinc/36/14/05/185361405.db2.gz YGFPIBGEPMTKQN-VIFPVBQESA-N -1 0 305.355 3.406 50 0 DGAARM O=c1nc(-c2cccc(OCC(F)F)n2)[n-]c2ccsc21 ZINC000095444742 185366968 /nfs/dbraw/zinc/36/69/68/185366968.db2.gz UJPLRRLXLDOOOT-UHFFFAOYSA-N -1 0 309.297 3.103 50 0 DGAARM C[C@@H](c1ccco1)N(C(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000097017684 185397804 /nfs/dbraw/zinc/39/78/04/185397804.db2.gz KJNSQSZQMBYNFX-VIFPVBQESA-N -1 0 305.355 3.405 50 0 DGAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000097018273 185397868 /nfs/dbraw/zinc/39/78/68/185397868.db2.gz QFWSUFHDXSPXNA-MLGOLLRUSA-N -1 0 317.410 3.259 50 0 DGAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC000097017487 185397871 /nfs/dbraw/zinc/39/78/71/185397871.db2.gz CMUHGFYGNIOKOS-GWCFXTLKSA-N -1 0 321.373 3.323 50 0 DGAARM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1F ZINC000097032932 185399730 /nfs/dbraw/zinc/39/97/30/185399730.db2.gz ZRAIWOHTSNZSFB-CYBMUJFWSA-N -1 0 307.365 3.097 50 0 DGAARM CSCc1cccc(S(=O)(=O)[N-]c2ccc(C)cn2)c1 ZINC000071195377 539346274 /nfs/dbraw/zinc/34/62/74/539346274.db2.gz HEYMQSLLCSHLMG-UHFFFAOYSA-N -1 0 308.428 3.054 50 0 DGAARM O=C([O-])C1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 ZINC000097080124 185406275 /nfs/dbraw/zinc/40/62/75/185406275.db2.gz NALFZAHNDIOQTC-UHFFFAOYSA-N -1 0 321.336 3.033 50 0 DGAARM CC(C)C(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064588882 432008940 /nfs/dbraw/zinc/00/89/40/432008940.db2.gz JOOKSUSZEJVBPO-GFCCVEGCSA-N -1 0 304.390 3.216 50 0 DGAARM CCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)c1ccccc1 ZINC000064980708 190706461 /nfs/dbraw/zinc/70/64/61/190706461.db2.gz ISZMTFVVQXKXEN-UHFFFAOYSA-N -1 0 314.385 3.110 50 0 DGAARM CCOCCC1(Cn2c(=O)c3ccccc3[n-]c2=S)CCC1 ZINC000130257720 432019843 /nfs/dbraw/zinc/01/98/43/432019843.db2.gz MIYZRFCIBONJMC-UHFFFAOYSA-N -1 0 318.442 3.282 50 0 DGAARM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000083956179 192392448 /nfs/dbraw/zinc/39/24/48/192392448.db2.gz WTGPZTIAOYRCRP-UHFFFAOYSA-N -1 0 323.852 3.177 50 0 DGAARM Cc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000138392210 186016345 /nfs/dbraw/zinc/01/63/45/186016345.db2.gz MJAMXBZUNDHLEA-UHFFFAOYSA-N -1 0 318.329 3.029 50 0 DGAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000000225400 180731899 /nfs/dbraw/zinc/73/18/99/180731899.db2.gz XGXSCWIUBHXDMH-GXDHUFHOSA-N -1 0 301.729 3.196 50 0 DGAARM O=C([O-])c1ccccc1NC(=O)c1ccccc1Br ZINC000000262694 180741106 /nfs/dbraw/zinc/74/11/06/180741106.db2.gz QTRXBDNEMALOMI-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM COc1cc(CNc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000000336339 180760439 /nfs/dbraw/zinc/76/04/39/180760439.db2.gz YXWVMWMQMTZAAL-UHFFFAOYSA-N -1 0 317.341 3.023 50 0 DGAARM Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])cc3)ccc12 ZINC000000408783 180779198 /nfs/dbraw/zinc/77/91/98/180779198.db2.gz VYVQQZMKVHGRJA-UHFFFAOYSA-N -1 0 310.305 3.379 50 0 biogenic DGAARM CC(C)CCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000000507656 180809528 /nfs/dbraw/zinc/80/95/28/180809528.db2.gz BKEXFKSRLHKXKM-MRXNPFEDSA-N -1 0 321.417 3.341 50 0 DGAARM C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000001060212 180844563 /nfs/dbraw/zinc/84/45/63/180844563.db2.gz ZCCQODJOMKRZOE-LRDDRELGSA-N -1 0 323.348 3.068 50 0 DGAARM CCCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002906105 180969623 /nfs/dbraw/zinc/96/96/23/180969623.db2.gz NJAPPTUEIXBLNI-HZPDHXFCSA-N -1 0 317.385 3.471 50 0 DGAARM C[C@@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1ccccc1F ZINC000003425303 181018035 /nfs/dbraw/zinc/01/80/35/181018035.db2.gz KEVGSNUOJJVYFN-SECBINFHSA-N -1 0 320.345 3.038 50 0 DGAARM COc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000003581480 181037038 /nfs/dbraw/zinc/03/70/38/181037038.db2.gz DCXOXUUVCNZICG-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000003627769 181042942 /nfs/dbraw/zinc/04/29/42/181042942.db2.gz LVMYBRQNWAMAOA-CQSZACIVSA-N -1 0 321.735 3.425 50 0 DGAARM O=C([O-])CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003882193 181052466 /nfs/dbraw/zinc/05/24/66/181052466.db2.gz ROQIGRLJUBETSG-UHFFFAOYSA-N -1 0 323.377 3.382 50 0 DGAARM C[C@H](NC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C)c1ccccc1 ZINC000004011820 181062090 /nfs/dbraw/zinc/06/20/90/181062090.db2.gz DJKAHODAMHQADM-YEWDVWPNSA-N -1 0 303.402 3.391 50 0 DGAARM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])c(OC)c1 ZINC000004200356 181084441 /nfs/dbraw/zinc/08/44/41/181084441.db2.gz CGYPKWJUOUPNND-UHFFFAOYSA-N -1 0 324.336 3.255 50 0 DGAARM O=C([O-])c1cc(-c2cccs2)nc2cc3c(cc21)OCCO3 ZINC000004502192 181116076 /nfs/dbraw/zinc/11/60/76/181116076.db2.gz KFQATEOFTMUMAN-UHFFFAOYSA-N -1 0 313.334 3.433 50 0 DGAARM Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000004550653 181124178 /nfs/dbraw/zinc/12/41/78/181124178.db2.gz BTBJYTCNNBIWNU-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM CCOC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)c([O-])c2c1 ZINC000004629550 181130681 /nfs/dbraw/zinc/13/06/81/181130681.db2.gz LUWRJKMFRXUZBQ-UHFFFAOYSA-N -1 0 309.321 3.077 50 0 DGAARM O=C([O-])CCCC(=O)Nc1cccc(CCc2ccccn2)c1 ZINC000004708832 181140315 /nfs/dbraw/zinc/14/03/15/181140315.db2.gz ASCXZXAAARXINW-UHFFFAOYSA-N -1 0 312.369 3.060 50 0 DGAARM Cc1cc(C)c(OCC(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000004825566 181158047 /nfs/dbraw/zinc/15/80/47/181158047.db2.gz PVYGYXDKIKVJLJ-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000004868482 181166474 /nfs/dbraw/zinc/16/64/74/181166474.db2.gz YUTIOWQMFYIYGW-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000004976844 181182773 /nfs/dbraw/zinc/18/27/73/181182773.db2.gz MMZUCRRTSASPKO-CABCVRRESA-N -1 0 303.358 3.081 50 0 DGAARM CC[C@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000005049382 181196759 /nfs/dbraw/zinc/19/67/59/181196759.db2.gz XFANXHYEYYRCSD-ZETCQYMHSA-N -1 0 300.152 3.132 50 0 DGAARM O=C([O-])c1ccnc(-c2ccnc(-c3ccc(F)c(F)c3)n2)c1 ZINC000077407208 191709781 /nfs/dbraw/zinc/70/97/81/191709781.db2.gz BBLBIXZBYFCCOW-UHFFFAOYSA-N -1 0 313.263 3.182 50 0 DGAARM CC(C)c1ccc(Cc2nnc(NC3CCCC3)[n-]c2=O)cc1 ZINC000005154499 181210829 /nfs/dbraw/zinc/21/08/29/181210829.db2.gz BLGHODYTYOOBJV-UHFFFAOYSA-N -1 0 312.417 3.234 50 0 DGAARM Cc1cccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)c1 ZINC000005730714 181277897 /nfs/dbraw/zinc/27/78/97/181277897.db2.gz YQGVEKUPRDVAGA-UHFFFAOYSA-N -1 0 310.305 3.069 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000005793814 181284325 /nfs/dbraw/zinc/28/43/25/181284325.db2.gz LGACXVYQLUHXOK-KKUMJFAQSA-N -1 0 301.386 3.148 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])on1 ZINC000236902779 202061778 /nfs/dbraw/zinc/06/17/78/202061778.db2.gz IZNZQLMMMUOWPG-RYUDHWBXSA-N -1 0 308.378 3.048 50 0 DGAARM Cc1cc(NC(=O)c2ccc(-n3ccnc3)cc2)ccc1C(=O)[O-] ZINC000170591071 432072720 /nfs/dbraw/zinc/07/27/20/432072720.db2.gz QDHPJXPWPNOMFY-UHFFFAOYSA-N -1 0 321.336 3.131 50 0 DGAARM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237406023 202256706 /nfs/dbraw/zinc/25/67/06/202256706.db2.gz SQHNLVKMBPSYPG-WFASDCNBSA-N -1 0 307.365 3.175 50 0 DGAARM Cc1cccc([C@@H](NC(=O)C(C)(C)c2ccccc2)C(=O)[O-])c1 ZINC000426399442 237970838 /nfs/dbraw/zinc/97/08/38/237970838.db2.gz QYRDHKLSNZZXJV-MRXNPFEDSA-N -1 0 311.381 3.215 50 0 DGAARM O=C([O-])[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000261960665 304095969 /nfs/dbraw/zinc/09/59/69/304095969.db2.gz XOWCCGAQKBETLT-IRXDYDNUSA-N -1 0 309.365 3.049 50 0 DGAARM CCC(CC)(CNC(=O)c1cccc2ccc(C)nc21)C(=O)[O-] ZINC000191120869 200630631 /nfs/dbraw/zinc/63/06/31/200630631.db2.gz WUYQFEAGWPXPMK-UHFFFAOYSA-N -1 0 314.385 3.164 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1N1C(=O)c2cc3ccccc3cc2C1=O ZINC000044069118 304107542 /nfs/dbraw/zinc/10/75/42/304107542.db2.gz RPVXICJCKYVHHZ-CZUORRHYSA-N -1 0 323.348 3.079 50 0 DGAARM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000244794994 202497771 /nfs/dbraw/zinc/49/77/71/202497771.db2.gz QXTKDOWSGCORMQ-CYBMUJFWSA-N -1 0 319.382 3.088 50 0 DGAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000006505726 181347673 /nfs/dbraw/zinc/34/76/73/181347673.db2.gz SDPVDNHKCFKSLY-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccsc2)C1 ZINC000091657248 193085861 /nfs/dbraw/zinc/08/58/61/193085861.db2.gz LVDJORCUOSEZIK-MRXNPFEDSA-N -1 0 307.415 3.411 50 0 DGAARM C[C@H](C(=O)[O-])n1cc(-c2cccc(Oc3ccccc3)c2)nn1 ZINC000091636701 193082386 /nfs/dbraw/zinc/08/23/86/193082386.db2.gz OYUVKFDPCVYPOS-GFCCVEGCSA-N -1 0 309.325 3.383 50 0 DGAARM COc1ccc(-c2nc(C(=O)[O-])ccc2OC)c2cccnc12 ZINC000218752593 201543678 /nfs/dbraw/zinc/54/36/78/201543678.db2.gz LWBRZRNMBFJUBY-UHFFFAOYSA-N -1 0 310.309 3.012 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2[nH]ccc2c1 ZINC000261650677 304147428 /nfs/dbraw/zinc/14/74/28/304147428.db2.gz FFMXZVCLWSTTRB-KCXAZCMYSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2cc[nH]c2c1 ZINC000261757462 304147371 /nfs/dbraw/zinc/14/73/71/304147371.db2.gz PNWSKQJSNJSDCH-KCXAZCMYSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000262089603 203195097 /nfs/dbraw/zinc/19/50/97/203195097.db2.gz HTWJRDLBWLEFAU-KBPBESRZSA-N -1 0 301.367 3.002 50 0 DGAARM O=C([O-])CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000262088675 203195260 /nfs/dbraw/zinc/19/52/60/203195260.db2.gz HSPILCUPLZQCSY-UHFFFAOYSA-N -1 0 315.291 3.223 50 0 DGAARM CC(C)(C)c1nc(C(=O)Nc2ccccc2CC(=O)[O-])cs1 ZINC000262408101 203286249 /nfs/dbraw/zinc/28/62/49/203286249.db2.gz BABARWDWEFPZHB-UHFFFAOYSA-N -1 0 318.398 3.320 50 0 DGAARM O=C([O-])c1cnc(/C=C\c2cnc(-c3ccccc3)nc2)s1 ZINC000096401009 193618943 /nfs/dbraw/zinc/61/89/43/193618943.db2.gz HTQLPUKYDKWYTK-SREVYHEPSA-N -1 0 309.350 3.469 50 0 DGAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC000096479602 193663065 /nfs/dbraw/zinc/66/30/65/193663065.db2.gz HVZAPKVHCZBPTI-QMTHXVAHSA-N -1 0 321.373 3.323 50 0 DGAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCO1 ZINC000008723782 181578786 /nfs/dbraw/zinc/57/87/86/181578786.db2.gz JZQUWUVLIJVANI-LBPRGKRZSA-N -1 0 317.366 3.231 50 0 DGAARM CC(=O)Nc1cc(C(=O)CSc2nc(C)cs2)ccc1[O-] ZINC000009447926 181621375 /nfs/dbraw/zinc/62/13/75/181621375.db2.gz MWUDUZHYMVCCEE-UHFFFAOYSA-N -1 0 322.411 3.091 50 0 DGAARM O=C([O-])[C@@]1(Cc2ccccc2)CCCN(c2nccs2)C1 ZINC000071750285 304163293 /nfs/dbraw/zinc/16/32/93/304163293.db2.gz PZSKCCARGCQBTG-MRXNPFEDSA-N -1 0 302.399 3.057 50 0 DGAARM O=C([O-])/C=C/c1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000012992843 181819307 /nfs/dbraw/zinc/81/93/07/181819307.db2.gz JNZWPOQHLYYUJI-XBXARRHUSA-N -1 0 301.367 3.417 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000013166196 181834644 /nfs/dbraw/zinc/83/46/44/181834644.db2.gz ZJBZGFYBIQTIMS-UHFFFAOYSA-N -1 0 307.708 3.107 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1)c1cccs1 ZINC000013388884 181847278 /nfs/dbraw/zinc/84/72/78/181847278.db2.gz GVYLAKIHICIEDX-CYBMUJFWSA-N -1 0 303.383 3.013 50 0 DGAARM Cc1nc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2s1 ZINC000016478513 182046666 /nfs/dbraw/zinc/04/66/66/182046666.db2.gz QGGWGVCXCBIVHR-UHFFFAOYSA-N -1 0 306.387 3.434 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3cccs3)c12 ZINC000021651060 182282809 /nfs/dbraw/zinc/28/28/09/182282809.db2.gz AIAQPBQHCDOQAH-UHFFFAOYSA-N -1 0 305.384 3.372 50 0 DGAARM O=C([O-])[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000015443083 304184402 /nfs/dbraw/zinc/18/44/02/304184402.db2.gz FMUGSQNBMMNPKK-ZETCQYMHSA-N -1 0 308.687 3.055 50 0 DGAARM O=C([O-])c1cc(Cl)c2c(F)ccc(Br)c2n1 ZINC000097757469 304224285 /nfs/dbraw/zinc/22/42/85/304224285.db2.gz XLZHOAZQAKNKIQ-UHFFFAOYSA-N -1 0 304.502 3.488 50 0 DGAARM CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000055149348 183966493 /nfs/dbraw/zinc/96/64/93/183966493.db2.gz LFWFFBBPRHGYSW-UHFFFAOYSA-N -1 0 322.361 3.085 50 0 DGAARM O=C([O-])c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000224886 304229891 /nfs/dbraw/zinc/22/98/91/304229891.db2.gz ATBJQBRIAPZDIC-UHFFFAOYSA-N -1 0 307.231 3.113 50 0 DGAARM O=C([O-])c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000002787334 304229829 /nfs/dbraw/zinc/22/98/29/304229829.db2.gz OABPTALCEJOSPV-UHFFFAOYSA-N -1 0 308.124 3.401 50 0 DGAARM COc1ccc2c(c1)CCN2C(=O)c1ccc([O-])c(Cl)c1 ZINC000058246870 184094366 /nfs/dbraw/zinc/09/43/66/184094366.db2.gz JODPICFGPWKKSR-UHFFFAOYSA-N -1 0 303.745 3.257 50 0 DGAARM O=C([O-])C1(NC(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000060796796 184155644 /nfs/dbraw/zinc/15/56/44/184155644.db2.gz IEUCMAJRCLDCFH-UHFFFAOYSA-N -1 0 315.291 3.223 50 0 DGAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2ccno2)s1 ZINC000065031079 184308837 /nfs/dbraw/zinc/30/88/37/184308837.db2.gz SBLCUHXACOZWTJ-UHFFFAOYSA-N -1 0 324.358 3.343 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccoc3)no2)c1 ZINC000065153464 184312747 /nfs/dbraw/zinc/31/27/47/184312747.db2.gz ALJLRZVYLVZSEU-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM O=C([O-])c1cc(N2CCCC2)ccc1NC(=O)c1ccccc1 ZINC000064589015 184301292 /nfs/dbraw/zinc/30/12/92/184301292.db2.gz KCHGKFDNWCRQPW-UHFFFAOYSA-N -1 0 310.353 3.237 50 0 DGAARM C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)[O-] ZINC000000248669 299567411 /nfs/dbraw/zinc/56/74/11/299567411.db2.gz UDRXBMZEWXEFGZ-QMMMGPOBSA-N -1 0 322.744 3.177 50 0 DGAARM O=C([O-])c1ccc2nc(-c3ccc(Br)cc3)cn2c1 ZINC000004024404 304254595 /nfs/dbraw/zinc/25/45/95/304254595.db2.gz RFUPQMNNZGSOKV-UHFFFAOYSA-N -1 0 317.142 3.462 50 0 DGAARM O=C([O-])c1ccccc1-c1cc(C(=O)N2CCCCC2)ccn1 ZINC000216117499 304266415 /nfs/dbraw/zinc/26/64/15/304266415.db2.gz ACRNUHWJBLZNSL-UHFFFAOYSA-N -1 0 310.353 3.073 50 0 DGAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2C(F)(F)F ZINC000066089649 304273992 /nfs/dbraw/zinc/27/39/92/304273992.db2.gz WAGSRBQYKITVNO-JTQLQIEISA-N -1 0 324.258 3.164 50 0 DGAARM COc1ccccc1Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000466679 257254242 /nfs/dbraw/zinc/25/42/42/257254242.db2.gz SJCFTBGAYVIMBC-UHFFFAOYSA-N -1 0 315.325 3.291 50 0 DGAARM O=C([O-])CC1(CC(=O)NCc2ccccc2F)CCCCC1 ZINC000000129655 257254607 /nfs/dbraw/zinc/25/46/07/257254607.db2.gz DCTQKXDZIQDJCS-UHFFFAOYSA-N -1 0 307.365 3.257 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)s1 ZINC000071909625 184900740 /nfs/dbraw/zinc/90/07/40/184900740.db2.gz OFACQMSTFANAAM-UHFFFAOYSA-N -1 0 322.333 3.271 50 0 DGAARM O=c1c(O)c(-c2ccc(Cl)cc2)oc2c1ccccc2=O ZINC000000714136 400080435 /nfs/dbraw/zinc/08/04/35/400080435.db2.gz JKUPDYVDDHZRJZ-UHFFFAOYSA-N -1 0 300.697 3.179 50 0 DGAARM O=C([O-])[C@@H]1CC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 ZINC000601014569 400204211 /nfs/dbraw/zinc/20/42/11/400204211.db2.gz YLQAJFCYCQEOCJ-NVXWUHKLSA-N -1 0 301.386 3.241 50 0 DGAARM C[C@@H]1CS/C(=C(/C(=O)[O-])C(=O)/C=C/c2ccccc2)S1 ZINC000034782182 400386942 /nfs/dbraw/zinc/38/69/42/400386942.db2.gz MQPFPMFLYICOQL-FPRBONAPSA-N -1 0 306.408 3.434 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1ccc(Cl)c2ncccc12 ZINC000072275913 400377098 /nfs/dbraw/zinc/37/70/98/400377098.db2.gz NQQCNXQVURXVFX-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM O=C(Nc1ccc(N2CCCC2)cn1)c1ccc([O-])c(Cl)c1 ZINC000075430892 400585135 /nfs/dbraw/zinc/58/51/35/400585135.db2.gz LCMOTCZXXCDPAW-UHFFFAOYSA-N -1 0 317.776 3.293 50 0 DGAARM Cc1ccc(-c2noc(-c3c([O-])c4ccccc4[nH]c3=O)n2)cc1 ZINC000075536599 400592105 /nfs/dbraw/zinc/59/21/05/400592105.db2.gz GUQZCEJCDBWVGI-UHFFFAOYSA-N -1 0 319.320 3.259 50 0 DGAARM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1C ZINC000630284871 401232148 /nfs/dbraw/zinc/23/21/48/401232148.db2.gz YJZSBQWKJPSUQL-FRRDWIJNSA-N -1 0 321.442 3.334 50 0 DGAARM Cc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c1 ZINC000630283763 401232353 /nfs/dbraw/zinc/23/23/53/401232353.db2.gz UGIBACVKPRZDKU-OFQRWUPVSA-N -1 0 301.386 3.019 50 0 DGAARM CCOc1cncc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000621989002 401332341 /nfs/dbraw/zinc/33/23/41/401332341.db2.gz UCHALENDJCYOKL-AATRIKPKSA-N -1 0 313.357 3.262 50 0 DGAARM CC(C)CCOc1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000262905869 165823314 /nfs/dbraw/zinc/82/33/14/165823314.db2.gz JBXLFTGOZMCGHP-OAHLLOKOSA-N -1 0 319.401 3.191 50 0 DGAARM CC[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262986713 165826961 /nfs/dbraw/zinc/82/69/61/165826961.db2.gz LKCQXSFMPYMARL-AWEZNQCLSA-N -1 0 324.808 3.297 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C/C=C\c1cccc(F)c1 ZINC000347535157 264237049 /nfs/dbraw/zinc/23/70/49/264237049.db2.gz ZITXUSMQFLEHJL-LEXSJLIMSA-N -1 0 319.376 3.475 50 0 DGAARM CC(C)(C(=O)[O-])[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000083255259 278278541 /nfs/dbraw/zinc/27/85/41/278278541.db2.gz GCTLDDCFPJNPJU-MRXNPFEDSA-N -1 0 300.354 3.410 50 0 DGAARM CC(C)(C)OC(=O)N1CCc2c3cc(C(=O)[O-])[nH]c3ccc21 ZINC000034203470 278413845 /nfs/dbraw/zinc/41/38/45/278413845.db2.gz LPYGXQLRFJTBFA-UHFFFAOYSA-N -1 0 302.330 3.164 50 0 DGAARM CC(C)(C)c1ccc(C(=O)[O-])cc1I ZINC000039951746 278560050 /nfs/dbraw/zinc/56/00/50/278560050.db2.gz RKQXGGKRIINFTM-UHFFFAOYSA-N -1 0 304.127 3.287 50 0 DGAARM Cc1ccc(CCP(=O)([O-])CCc2ccc(C)nc2)cn1 ZINC000000049521 431114914 /nfs/dbraw/zinc/11/49/14/431114914.db2.gz QBXOLGXHXOKGRE-UHFFFAOYSA-N -1 0 304.330 3.149 50 0 DGAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC000000069673 431119823 /nfs/dbraw/zinc/11/98/23/431119823.db2.gz FBPUHIZUSSEOAN-VXGBXAGGSA-N -1 0 309.312 3.351 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)c1 ZINC000000090949 431123481 /nfs/dbraw/zinc/12/34/81/431123481.db2.gz YXFZDLOHYQQSOV-UHFFFAOYSA-N -1 0 323.801 3.076 50 0 DGAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)[O-] ZINC000000123810 431128779 /nfs/dbraw/zinc/12/87/79/431128779.db2.gz RJPJBRVAOGKWOD-NSHDSACASA-N -1 0 310.305 3.312 50 0 biogenic DGAARM CC(=O)Oc1ccc(C)cc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000000118770 431129187 /nfs/dbraw/zinc/12/91/87/431129187.db2.gz IRHCVNGAMHXFNQ-UHFFFAOYSA-N -1 0 316.197 3.233 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000000116209 431128006 /nfs/dbraw/zinc/12/80/06/431128006.db2.gz ZVEBDUNJTFURGF-UHFFFAOYSA-N -1 0 307.158 3.091 50 0 DGAARM O=C([O-])c1cccc(CSCC(=O)Nc2ccc(F)cc2)c1 ZINC000000151487 431137100 /nfs/dbraw/zinc/13/71/00/431137100.db2.gz OPMQHWZKMHIJFI-UHFFFAOYSA-N -1 0 319.357 3.396 50 0 DGAARM CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000000155558 431136927 /nfs/dbraw/zinc/13/69/27/431136927.db2.gz OTOQYYDKNSQICT-UHFFFAOYSA-N -1 0 318.373 3.009 50 0 DGAARM O=C([O-])c1nnsc1Sc1ccc(C(F)(F)F)cc1 ZINC000000166260 431136968 /nfs/dbraw/zinc/13/69/68/431136968.db2.gz DOSWLXUTUFNTRD-UHFFFAOYSA-N -1 0 306.290 3.406 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000108462607 431142632 /nfs/dbraw/zinc/14/26/32/431142632.db2.gz YGSJUJLXTXHZGE-MAZHCROVSA-N -1 0 319.376 3.033 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000000402083 431174683 /nfs/dbraw/zinc/17/46/83/431174683.db2.gz VHZZJLSPECJSKI-NWDGAFQWSA-N -1 0 324.174 3.055 50 0 DGAARM O=C([O-])CCCC(=O)Nc1ccc(Br)cc1Cl ZINC000000402016 431175562 /nfs/dbraw/zinc/17/55/62/431175562.db2.gz QQDDSJXXUKXFJA-UHFFFAOYSA-N -1 0 320.570 3.296 50 0 DGAARM Cc1cc(SCC(=O)[O-])c2cc(Br)ccc2n1 ZINC000000521741 431196565 /nfs/dbraw/zinc/19/65/65/431196565.db2.gz ZMOSUQMOOFDJOS-UHFFFAOYSA-N -1 0 312.188 3.482 50 0 DGAARM O=C([O-])COc1ccc2occ(C(=O)c3cccs3)c2c1 ZINC000000216187 431148719 /nfs/dbraw/zinc/14/87/19/431148719.db2.gz OIIKQUALKJUHBJ-UHFFFAOYSA-N -1 0 302.307 3.189 50 0 DGAARM CC(C)C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000250173 431154721 /nfs/dbraw/zinc/15/47/21/431154721.db2.gz YWVCOSWLUPQJFC-LLVKDONJSA-N -1 0 319.430 3.481 50 0 DGAARM CC(C)(C)OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002583316 431257692 /nfs/dbraw/zinc/25/76/92/431257692.db2.gz LJPMZDOWNYFYCN-QGZVFWFLSA-N -1 0 318.373 3.078 50 0 DGAARM Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000000582598 431205276 /nfs/dbraw/zinc/20/52/76/431205276.db2.gz SMTIQTUIIAWELP-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000069674437 431212927 /nfs/dbraw/zinc/21/29/27/431212927.db2.gz PYXVLBCALMTNGR-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O ZINC000001180865 431215644 /nfs/dbraw/zinc/21/56/44/431215644.db2.gz WLPRBSGNUMHMSA-POHAHGRESA-N -1 0 313.762 3.110 50 0 DGAARM Cc1cccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000001773729 431239698 /nfs/dbraw/zinc/23/96/98/431239698.db2.gz JXNIGJNOTSNQNE-UHFFFAOYSA-N -1 0 313.353 3.491 50 0 DGAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12 ZINC000002147845 431243996 /nfs/dbraw/zinc/24/39/96/431243996.db2.gz ZVRGYRUCBJTRFP-LLVKDONJSA-N -1 0 304.342 3.296 50 0 biogenic DGAARM CCCCOc1ccccc1C(=O)NCCCCCC(=O)[O-] ZINC000002271923 431248508 /nfs/dbraw/zinc/24/85/08/431248508.db2.gz XFLVAVYPUPKAQG-UHFFFAOYSA-N -1 0 307.390 3.240 50 0 DGAARM CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)[O-])c12 ZINC000002378285 431251143 /nfs/dbraw/zinc/25/11/43/431251143.db2.gz CQMKXRSRPTYYJJ-LLVKDONJSA-N -1 0 304.342 3.296 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1c[nH]c2ccccc12 ZINC000002386867 431252765 /nfs/dbraw/zinc/25/27/65/431252765.db2.gz TUZZBYOOQVPWSG-LBPRGKRZSA-N -1 0 318.373 3.078 50 0 DGAARM CC(C)(C)OC(=O)NCCCn1ccc2ccc(C(=O)[O-])cc21 ZINC000002541452 431256780 /nfs/dbraw/zinc/25/67/80/431256780.db2.gz WDQHQHXUYHOJMH-UHFFFAOYSA-N -1 0 318.373 3.254 50 0 DGAARM CCc1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc(OC)cc1 ZINC000071767276 431285684 /nfs/dbraw/zinc/28/56/84/431285684.db2.gz QWHQNFLJBHNGRM-UHFFFAOYSA-N -1 0 312.321 3.442 50 0 DGAARM Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)[n-]1 ZINC000004091634 431296800 /nfs/dbraw/zinc/29/68/00/431296800.db2.gz WDCVRKGJHAUZBF-UHFFFAOYSA-N -1 0 312.078 3.195 50 0 DGAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000005234955 431307161 /nfs/dbraw/zinc/30/71/61/431307161.db2.gz CSDCNFRDBORNOS-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM Cc1ccc(F)cc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006727125 431319580 /nfs/dbraw/zinc/31/95/80/431319580.db2.gz ONRIVDCJWZRPMT-FBDPFYNOSA-N -1 0 305.349 3.210 50 0 DGAARM Cc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1C ZINC000006727080 431319690 /nfs/dbraw/zinc/31/96/90/431319690.db2.gz DHERWNVDUZZBCP-FPCDFSMTSA-N -1 0 301.386 3.379 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006905971 431324156 /nfs/dbraw/zinc/32/41/56/431324156.db2.gz LMKAWULPOBFVSS-UHFFFAOYSA-N -1 0 315.394 3.179 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000007053596 431328689 /nfs/dbraw/zinc/32/86/89/431328689.db2.gz DYWBTCXSJHGDDJ-UHFFFAOYSA-N -1 0 302.355 3.245 50 0 DGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007505222 431354198 /nfs/dbraw/zinc/35/41/98/431354198.db2.gz CMDJLLBXKVAPRN-UHFFFAOYSA-N -1 0 309.774 3.343 50 0 DGAARM O=C([O-])CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009047638 431421803 /nfs/dbraw/zinc/42/18/03/431421803.db2.gz WFIOJSSPZCZPKJ-UHFFFAOYSA-N -1 0 324.336 3.089 50 0 DGAARM O=C([O-])c1cccc2c1C(=O)N(Cc1c(F)cccc1Cl)C2 ZINC000008773585 431412002 /nfs/dbraw/zinc/41/20/02/431412002.db2.gz FOKWRONEBQFTDW-UHFFFAOYSA-N -1 0 319.719 3.333 50 0 in-vitro DGAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000075351836 431470093 /nfs/dbraw/zinc/47/00/93/431470093.db2.gz OKLDINSUXQEFDR-UHFFFAOYSA-N -1 0 319.411 3.247 50 0 DGAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000075519027 431482408 /nfs/dbraw/zinc/48/24/08/431482408.db2.gz MYPZMRDKLRUGEP-UHFFFAOYSA-N -1 0 317.370 3.087 50 0 DGAARM CCc1cc2c(cc1[O-])oc(N)c(-c1nc(C)cs1)c2=O ZINC000011867285 431485408 /nfs/dbraw/zinc/48/54/08/431485408.db2.gz RSKFVVKQTQSAHI-UHFFFAOYSA-N -1 0 302.355 3.075 50 0 DGAARM O=c1[n-]c(SCc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000011990961 431486939 /nfs/dbraw/zinc/48/69/39/431486939.db2.gz DIRABALTBNWQDE-UHFFFAOYSA-N -1 0 313.357 3.263 50 0 DGAARM Cc1nn(Cc2ccccc2Cl)c2nc(C)cc(C(=O)[O-])c12 ZINC000012394299 431505926 /nfs/dbraw/zinc/50/59/26/431505926.db2.gz XGFMAEQDTFHSSJ-UHFFFAOYSA-N -1 0 315.760 3.448 50 0 DGAARM CCOC(=O)c1cc(=O)c2c3c(cc(C)c2[n-]1)c(C)c(C)n3C ZINC000012410670 431507109 /nfs/dbraw/zinc/50/71/09/431507109.db2.gz LUPCBHFNDQBBAD-UHFFFAOYSA-N -1 0 312.369 3.122 50 0 DGAARM Cc1nc2cc(NC(=O)CC3(C(=O)[O-])CCCCC3)ccc2o1 ZINC000013467886 431558140 /nfs/dbraw/zinc/55/81/40/431558140.db2.gz LUNRGZGZDCWRST-UHFFFAOYSA-N -1 0 316.357 3.500 50 0 DGAARM Cc1nn2c(nc(C)cc2SCC(=O)[O-])c1-c1ccccc1 ZINC000013689925 431563210 /nfs/dbraw/zinc/56/32/10/431563210.db2.gz XJZOHNRAOJPDOX-UHFFFAOYSA-N -1 0 313.382 3.190 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)NCCC1=CCCCC1 ZINC000012978246 431542005 /nfs/dbraw/zinc/54/20/05/431542005.db2.gz AHUZAWNIGCUHSP-UHFFFAOYSA-N -1 0 319.426 3.484 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000013171312 431548327 /nfs/dbraw/zinc/54/83/27/431548327.db2.gz ZOQPKOZTINIQSQ-NSHDSACASA-N -1 0 317.316 3.023 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 ZINC000013260695 431551524 /nfs/dbraw/zinc/55/15/24/431551524.db2.gz JGLFDGUKDKEHPW-CYBMUJFWSA-N -1 0 315.394 3.352 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccsc1)c1ccccc1Cl ZINC000013259072 431552898 /nfs/dbraw/zinc/55/28/98/431552898.db2.gz XBEDLUNPEXYLTP-LBPRGKRZSA-N -1 0 309.774 3.347 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2cc(-c3ccccc3)cs2)CC1 ZINC000013425610 431554361 /nfs/dbraw/zinc/55/43/61/431554361.db2.gz SRIPQEBCPMQNJH-UHFFFAOYSA-N -1 0 315.394 3.352 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccccc1Cl)c1cccs1 ZINC000013388730 431554763 /nfs/dbraw/zinc/55/47/63/431554763.db2.gz GXNULCSMEKCFGM-NSHDSACASA-N -1 0 309.774 3.347 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000013737065 431566560 /nfs/dbraw/zinc/56/65/60/431566560.db2.gz BCHPGHZLOAFEHO-UHFFFAOYSA-N -1 0 304.733 3.360 50 0 DGAARM CN(CCn1ccnc1-c1ccccc1C(=O)[O-])c1ccccc1 ZINC000077394622 431591643 /nfs/dbraw/zinc/59/16/43/431591643.db2.gz BFESCTLDYJRYQG-UHFFFAOYSA-N -1 0 321.380 3.385 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016147648 431610068 /nfs/dbraw/zinc/61/00/68/431610068.db2.gz NYYVUANIWYPBOA-UHFFFAOYSA-N -1 0 313.325 3.164 50 0 DGAARM CCc1ncc(CN(C)C(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000078775927 431706787 /nfs/dbraw/zinc/70/67/87/431706787.db2.gz XSGJAOYMHNETAU-UHFFFAOYSA-N -1 0 310.806 3.337 50 0 DGAARM CC(C)c1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)cc1 ZINC000067323693 280589616 /nfs/dbraw/zinc/58/96/16/280589616.db2.gz JTKDPHCFHDPALI-UHFFFAOYSA-N -1 0 308.341 3.151 50 0 DGAARM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000030650531 431741862 /nfs/dbraw/zinc/74/18/62/431741862.db2.gz CPURDPBYJUDUJE-UHFFFAOYSA-N -1 0 315.760 3.194 50 0 DGAARM CC(C)c1cccc2c1O[C@H](C(C)C)C(=S)N2CC(=O)[O-] ZINC000000168475 280639650 /nfs/dbraw/zinc/63/96/50/280639650.db2.gz CLDJCRWXLDLJLO-CQSZACIVSA-N -1 0 307.415 3.445 50 0 investigational DGAARM COCCCOc1cc(C[C@@H](C(=O)[O-])C(C)C)ccc1OC ZINC000034041257 431816301 /nfs/dbraw/zinc/81/63/01/431816301.db2.gz SZXUFLXBJGFODO-CQSZACIVSA-N -1 0 310.390 3.010 50 0 DGAARM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC000033882796 431816484 /nfs/dbraw/zinc/81/64/84/431816484.db2.gz QTGJLLUGEPDNFX-NEPJUHHUSA-N -1 0 309.387 3.122 50 0 DGAARM Cc1nc2sc([C@H](c3cccs3)N3CCCC3)c([O-])n2n1 ZINC000041637190 431860839 /nfs/dbraw/zinc/86/08/39/431860839.db2.gz DZWHFVSOEMQLFY-NSHDSACASA-N -1 0 320.443 3.052 50 0 DGAARM O=C([O-])c1ccc(F)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000095349599 431922930 /nfs/dbraw/zinc/92/29/30/431922930.db2.gz CATXULOBFPQXAG-UHFFFAOYSA-N -1 0 312.300 3.186 50 0 DGAARM CCCSCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357457 431923393 /nfs/dbraw/zinc/92/33/93/431923393.db2.gz RKJQINYOAHSGLG-HNNXBMFYSA-N -1 0 321.442 3.234 50 0 DGAARM Nc1ccccc1-c1nc(=O)c(/C=C/C=C/c2ccccc2)n[n-]1 ZINC000095944222 431927070 /nfs/dbraw/zinc/92/70/70/431927070.db2.gz QQJUCIZYKRNYEG-GODDPXKCSA-N -1 0 316.364 3.141 50 0 DGAARM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1c(C)nn(C)c1C ZINC000096441068 431950061 /nfs/dbraw/zinc/95/00/61/431950061.db2.gz QPHNBRAMIIXPRU-CYBMUJFWSA-N -1 0 321.808 3.277 50 0 DGAARM Cc1cnc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C2CC2)s1 ZINC000096479865 431952631 /nfs/dbraw/zinc/95/26/31/431952631.db2.gz CKXKTZJSIPPBQP-CYBMUJFWSA-N -1 0 316.382 3.031 50 0 DGAARM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1(C)C ZINC000097045101 431957535 /nfs/dbraw/zinc/95/75/35/431957535.db2.gz KBXWDAXWFUPGLA-FMKPAKJESA-N -1 0 307.434 3.328 50 0 DGAARM CCOc1ccccc1Cn1c(=O)c2ccccc2[n-]c1=S ZINC000100090455 431980583 /nfs/dbraw/zinc/98/05/83/431980583.db2.gz QBPIJHGQJVEKNO-UHFFFAOYSA-N -1 0 312.394 3.132 50 0 DGAARM CN(C(=O)c1cc(C(=O)[O-])co1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000097115277 431962682 /nfs/dbraw/zinc/96/26/82/431962682.db2.gz RFRFHMFPHWMJCE-OAHLLOKOSA-N -1 0 317.316 3.340 50 0 DGAARM Cc1cccnc1[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000097179402 431964515 /nfs/dbraw/zinc/96/45/15/431964515.db2.gz AZQQQVDMUWYKLH-AWEZNQCLSA-N -1 0 316.382 3.031 50 0 DGAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1 ZINC000097379357 431969055 /nfs/dbraw/zinc/96/90/55/431969055.db2.gz LSZIKIBQALAQPX-UHFFFAOYSA-N -1 0 308.378 3.220 50 0 DGAARM CC1(C)CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000096100837 281083757 /nfs/dbraw/zinc/08/37/57/281083757.db2.gz RMWIIMFQNFCQMW-KBPBESRZSA-N -1 0 313.397 3.368 50 0 DGAARM O=C([O-])[C@@H](CC(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000057653887 431993218 /nfs/dbraw/zinc/99/32/18/431993218.db2.gz RAGOSRAXUMIRHP-INIZCTEOSA-N -1 0 309.365 3.224 50 0 DGAARM COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1F ZINC000252497864 432379636 /nfs/dbraw/zinc/37/96/36/432379636.db2.gz FHUWAFRTZWQVDT-UHFFFAOYSA-N -1 0 302.305 3.369 50 0 DGAARM O=c1nc(-c2ccc(OCC(F)F)cn2)[n-]c2ccsc21 ZINC000253535152 432399648 /nfs/dbraw/zinc/39/96/48/432399648.db2.gz PFJTZFHMLKKUIL-UHFFFAOYSA-N -1 0 309.297 3.103 50 0 DGAARM COc1cccc([C@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000262124035 432476025 /nfs/dbraw/zinc/47/60/25/432476025.db2.gz HAAXVLXDBOMJSP-ZFWWWQNUSA-N -1 0 319.401 3.045 50 0 DGAARM COC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1 ZINC000263123404 432521554 /nfs/dbraw/zinc/52/15/54/432521554.db2.gz KVMUMPXHMZGEFP-UHFFFAOYSA-N -1 0 305.355 3.107 50 0 DGAARM CCN(Cc1cccs1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263305948 432532226 /nfs/dbraw/zinc/53/22/26/432532226.db2.gz FCEKUGWEUNERQF-UHFFFAOYSA-N -1 0 303.383 3.038 50 0 DGAARM CCc1ncsc1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000195579786 432628185 /nfs/dbraw/zinc/62/81/85/432628185.db2.gz CNQKEKNUYGCNSN-UHFFFAOYSA-N -1 0 314.407 3.095 50 0 DGAARM COc1ccc(CN(C)Cc2cc(C(C)C)on2)cc1C(=O)[O-] ZINC000215346726 432642933 /nfs/dbraw/zinc/64/29/33/432642933.db2.gz DUBBGLCNFNACDD-UHFFFAOYSA-N -1 0 318.373 3.137 50 0 DGAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NC2CCCCC2)cc1 ZINC000226750575 432708039 /nfs/dbraw/zinc/70/80/39/432708039.db2.gz AJSUSFSQXWTXCO-AWEZNQCLSA-N -1 0 319.401 3.093 50 0 DGAARM Cc1ncc(/C=C\C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000221916761 432670464 /nfs/dbraw/zinc/67/04/64/432670464.db2.gz WILOCQPDUGIUCL-PNVIUGFYSA-N -1 0 314.366 3.201 50 0 DGAARM Cc1ccccc1-c1nc2n(n1)[C@@](C)(C(=O)[O-])Nc1ccccc1-2 ZINC000225402562 432689989 /nfs/dbraw/zinc/68/99/89/432689989.db2.gz AHNMLBRRFQRTRF-SFHVURJKSA-N -1 0 320.352 3.103 50 0 DGAARM CCC(CC)n1nccc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236733502 432761304 /nfs/dbraw/zinc/76/13/04/432761304.db2.gz IHUOLAGMWSVTQF-AWEZNQCLSA-N -1 0 321.421 3.104 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000237946117 432805764 /nfs/dbraw/zinc/80/57/64/432805764.db2.gz LJWCIOCDJQCGJM-KZTTYJGESA-N -1 0 319.376 3.332 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C/C=C/c1cccc(F)c1 ZINC000237978931 432806819 /nfs/dbraw/zinc/80/68/19/432806819.db2.gz ZITXUSMQFLEHJL-MQDFFIGUSA-N -1 0 319.376 3.475 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000237994099 432807886 /nfs/dbraw/zinc/80/78/86/432807886.db2.gz DXNCMXRWCSPRFE-CYBMUJFWSA-N -1 0 300.358 3.027 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000239338790 432814965 /nfs/dbraw/zinc/81/49/65/432814965.db2.gz LGACXVYQLUHXOK-SOUVJXGZSA-N -1 0 301.386 3.148 50 0 DGAARM CSc1cccc(CN(C(=O)CCCC(=O)[O-])C(C)C)c1 ZINC000426472995 433504859 /nfs/dbraw/zinc/50/48/59/433504859.db2.gz VFPLSZLERHVGDZ-UHFFFAOYSA-N -1 0 309.431 3.400 50 0 DGAARM O=C(NCc1ccc(F)cn1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000408513170 434581982 /nfs/dbraw/zinc/58/19/82/434581982.db2.gz DJWDQGFMAGTJCJ-UHFFFAOYSA-N -1 0 315.131 3.163 50 0 DGAARM Cc1csc([C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])cc2)n1 ZINC000492120393 434918103 /nfs/dbraw/zinc/91/81/03/434918103.db2.gz SXXLZBKRMXNPOB-UIJKISKDSA-N -1 0 316.382 3.040 50 0 DGAARM Cc1scc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1C ZINC000649353049 435568973 /nfs/dbraw/zinc/56/89/73/435568973.db2.gz HLXZMHVRAUQZKU-UHFFFAOYSA-N -1 0 317.410 3.482 50 0 DGAARM Cc1cc(N)n(-c2ccc3cc(Cl)c(Cl)c([O-])c3n2)n1 ZINC000032919404 301330683 /nfs/dbraw/zinc/33/06/83/301330683.db2.gz PYICVKQICWVJID-UHFFFAOYSA-N -1 0 309.156 3.324 50 0 DGAARM Cc1cc(OCC(=O)[O-])c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000278205 301377305 /nfs/dbraw/zinc/37/73/05/301377305.db2.gz DBWBRDFFOYXFSR-UHFFFAOYSA-N -1 0 310.305 3.232 50 0 biogenic DGAARM CC(C)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc1 ZINC000659144103 436467254 /nfs/dbraw/zinc/46/72/54/436467254.db2.gz CCQYOBBQXACVIT-AWEZNQCLSA-N -1 0 318.417 3.168 50 0 DGAARM Cc1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002785443 302880377 /nfs/dbraw/zinc/88/03/77/302880377.db2.gz SPGPCMQHDNKQMF-UHFFFAOYSA-N -1 0 322.361 3.451 50 0 DGAARM O=S(=O)([N-]c1ccccn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000110121227 323211030 /nfs/dbraw/zinc/21/10/30/323211030.db2.gz ALRPJCMFUKSBBT-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM O=C([O-])CS[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000003260122 331479356 /nfs/dbraw/zinc/47/93/56/331479356.db2.gz OTVXCSSEGDVACV-QGZVFWFLSA-N -1 0 313.378 3.159 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OC(F)F ZINC000006726744 333000385 /nfs/dbraw/zinc/00/03/85/333000385.db2.gz LFZYMTPHOSJGOD-UWVGGRQHSA-N -1 0 313.300 3.118 50 0 DGAARM CCCN(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000038020824 500662737 /nfs/dbraw/zinc/66/27/37/500662737.db2.gz QDOQCCXEOGBHCL-UHFFFAOYSA-N -1 0 305.161 3.322 50 0 DGAARM Cn1cc(-c2nc(=O)c3sc(-c4ccccc4)cc3[n-]2)cn1 ZINC000054753812 501019461 /nfs/dbraw/zinc/01/94/61/501019461.db2.gz ACLOJIDVGHAZTM-UHFFFAOYSA-N -1 0 308.366 3.052 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000328593076 534222098 /nfs/dbraw/zinc/22/20/98/534222098.db2.gz UGYYLWWLKFHWRU-BFHYXJOUSA-N -1 0 321.442 3.406 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000074938161 526394545 /nfs/dbraw/zinc/39/45/45/526394545.db2.gz HGKPTBZASHLJQL-UHFFFAOYSA-N -1 0 320.389 3.196 50 0 DGAARM CN(C(=O)CSc1ccccc1C(=O)[O-])c1ccccc1 ZINC000000032128 545643540 /nfs/dbraw/zinc/64/35/40/545643540.db2.gz CDDDZKZEJVHOND-UHFFFAOYSA-N -1 0 301.367 3.140 50 0 DGAARM N#C/C(=C/c1cccc(OC(F)(F)C(=O)[O-])c1)c1ccccn1 ZINC000069927667 545707192 /nfs/dbraw/zinc/70/71/92/545707192.db2.gz INZPQBPHBOVVQL-WQLSENKSSA-N -1 0 316.263 3.202 50 0 DGAARM O=C([O-])C[C@H](NC(=O)N1CCCCCCC1)c1ccccc1 ZINC000316635201 546459058 /nfs/dbraw/zinc/45/90/58/546459058.db2.gz NRRDGDORAGZULL-HNNXBMFYSA-N -1 0 304.390 3.178 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000676004151 548303993 /nfs/dbraw/zinc/30/39/93/548303993.db2.gz QJNXFKAXTRTFNH-OAHLLOKOSA-N -1 0 309.365 3.121 50 0 DGAARM CN1CCCC[C@@H]1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000738016408 575263712 /nfs/dbraw/zinc/26/37/12/575263712.db2.gz PNYGHIHMBPICMR-GFCCVEGCSA-N -1 0 318.398 3.022 50 0 DGAARM Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000261736585 599915872 /nfs/dbraw/zinc/91/58/72/599915872.db2.gz HZMYKEKRRIAJME-ZDUSSCGKSA-N -1 0 315.373 3.096 50 0 DGAARM Cc1onc(-c2ccc(F)cc2Br)c1C(=O)[O-] ZINC000235958762 617748885 /nfs/dbraw/zinc/74/88/85/617748885.db2.gz JTDGZPKKBVMPIF-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM Cc1nc(CN(CCCC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000888097552 618625581 /nfs/dbraw/zinc/62/55/81/618625581.db2.gz QEFPDRSWRDJQBY-UHFFFAOYSA-N -1 0 302.374 3.158 50 0 DGAARM O=C([O-])c1cc(NC(=O)c2ccco2)ccc1N1CCCCC1 ZINC000004079286 627211459 /nfs/dbraw/zinc/21/14/59/627211459.db2.gz ZTEGUZIDROJABQ-UHFFFAOYSA-N -1 0 314.341 3.220 50 0 DGAARM C[C@@H]1C[C@@H](C)CN(c2cc(C(=O)[O-])cc(Br)n2)C1 ZINC000725347703 656533607 /nfs/dbraw/zinc/53/36/07/656533607.db2.gz MQHMCBHEKAGAOA-RKDXNWHRSA-N -1 0 313.195 3.025 50 0 DGAARM Cc1ccsc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262179419 657426194 /nfs/dbraw/zinc/42/61/94/657426194.db2.gz MGCMLXVGNVTSGW-UHFFFAOYSA-N -1 0 303.383 3.004 50 0 DGAARM CCc1oc2ccccc2c1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000191162986 658184787 /nfs/dbraw/zinc/18/47/87/658184787.db2.gz KRCMWEVIBDIGPW-LLVKDONJSA-N -1 0 315.369 3.321 50 0 DGAARM Cc1cc([C@@H](C(=O)[O-])N2CC(Oc3ccccc3)C2)ccc1F ZINC001529144083 1187536824 /nfs/dbraw/zinc/53/68/24/1187536824.db2.gz IHLUTNLBZLDENY-KRWDZBQOSA-N -1 0 315.344 3.023 50 0 DGAARM C[C@H](Oc1ccccc1CN(C)Cc1ccsc1)C(=O)[O-] ZINC000823715064 978939023 /nfs/dbraw/zinc/93/90/23/978939023.db2.gz LNGPIKKOYVPCOR-LBPRGKRZSA-N -1 0 305.399 3.232 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C/c2ccnn2CC2CC2)s1 ZINC000585091695 1094995074 /nfs/dbraw/zinc/99/50/74/1094995074.db2.gz WPPFXYUDWPFNBL-GGWOSOGESA-N -1 0 301.371 3.018 50 0 DGAARM C[C@@H]1CCCC[C@@]1(CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000686795145 1103057142 /nfs/dbraw/zinc/05/71/42/1103057142.db2.gz XTEXOKZRPCGIAL-DYVFJYSZSA-N -1 0 305.374 3.336 50 0 DGAARM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1ccc(F)cc1Cl ZINC000095521170 185377354 /nfs/dbraw/zinc/37/73/54/185377354.db2.gz ASWCPUBWJSELOX-AWEZNQCLSA-N -1 0 308.740 3.132 50 0 DGAARM Cc1ccc(-c2ccncc2)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078813862 185113632 /nfs/dbraw/zinc/11/36/32/185113632.db2.gz RXUQMVRBUXJTPD-UHFFFAOYSA-N -1 0 312.369 3.496 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000316598704 231151508 /nfs/dbraw/zinc/15/15/08/231151508.db2.gz GZKLVAFJIQUUAF-CQSZACIVSA-N -1 0 315.394 3.183 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1coc2ccccc12 ZINC000324708441 231224657 /nfs/dbraw/zinc/22/46/57/231224657.db2.gz ZYWYEFZUQJBMNB-KRWDZBQOSA-N -1 0 321.332 3.257 50 0 DGAARM O=C([O-])CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000095389914 185351060 /nfs/dbraw/zinc/35/10/60/185351060.db2.gz BBHYVRCWAWNIHS-UHFFFAOYSA-N -1 0 316.184 3.320 50 0 DGAARM CN(Cc1ccon1)[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000095389160 185351109 /nfs/dbraw/zinc/35/11/09/185351109.db2.gz WARVJHCEULFZPW-GFCCVEGCSA-N -1 0 315.156 3.239 50 0 DGAARM Cc1oc(CN(C)C(=O)/C=C/c2ccsc2)cc1C(=O)[O-] ZINC000095425069 185361764 /nfs/dbraw/zinc/36/17/64/185361764.db2.gz KZWYJZLVFNIYIO-ONEGZZNKSA-N -1 0 305.355 3.020 50 0 DGAARM CCOc1ccccc1/C=C(\NC(=O)C1CCCCC1)C(=O)[O-] ZINC000097011458 185397084 /nfs/dbraw/zinc/39/70/84/185397084.db2.gz XFILJVLZNVNROD-QINSGFPZSA-N -1 0 317.385 3.207 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1coc2ccccc12)c1cccs1 ZINC000097017568 185397688 /nfs/dbraw/zinc/39/76/88/185397688.db2.gz YTSQCHMLDASVOH-LBPRGKRZSA-N -1 0 315.350 3.440 50 0 DGAARM O=C([O-])c1ccccc1CCC(=O)N1CCCc2ccccc21 ZINC000097039148 185401318 /nfs/dbraw/zinc/40/13/18/185401318.db2.gz VHBIJKGKSCPAAB-UHFFFAOYSA-N -1 0 309.365 3.297 50 0 DGAARM CC[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000080343804 192149829 /nfs/dbraw/zinc/14/98/29/192149829.db2.gz GYNOORPTNAEXOA-BMFZPTHFSA-N -1 0 303.402 3.187 50 0 DGAARM O=C([O-])[C@H]1[C@@H]2c3ccccc3N(C(=O)c3ccccc3Cl)[C@@H]21 ZINC000071769330 191029992 /nfs/dbraw/zinc/02/99/92/191029992.db2.gz NXUAXUHESWNWIR-KKUMJFAQSA-N -1 0 313.740 3.167 50 0 DGAARM O=C([O-])c1nn(Cc2ccccc2Cl)cc1Br ZINC000072115354 191038385 /nfs/dbraw/zinc/03/83/85/191038385.db2.gz DPICVSQRULKPPV-UHFFFAOYSA-N -1 0 315.554 3.046 50 0 DGAARM O=C([O-])C[C@@H]1COCCN1Cc1ccc(-c2ccccc2)s1 ZINC000072163499 191063984 /nfs/dbraw/zinc/06/39/84/191063984.db2.gz DHOUTIRNGYBURZ-CQSZACIVSA-N -1 0 317.410 3.091 50 0 DGAARM CCOCc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262876937 186317167 /nfs/dbraw/zinc/31/71/67/186317167.db2.gz DTMWPBLRRLETBY-HDJSIYSDSA-N -1 0 305.374 3.053 50 0 DGAARM O=C(CSC[C@@H]1CCCCO1)Nc1cccc(Cl)c1[O-] ZINC000172356408 198084630 /nfs/dbraw/zinc/08/46/30/198084630.db2.gz VKSWVWHWBWQOTM-JTQLQIEISA-N -1 0 315.822 3.286 50 0 DGAARM N#CCc1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000152833 180710234 /nfs/dbraw/zinc/71/02/34/180710234.db2.gz NWDWVXVQMYTWFR-MRXNPFEDSA-N -1 0 322.364 3.340 50 0 DGAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000072475539 191176792 /nfs/dbraw/zinc/17/67/92/191176792.db2.gz BMXXTGCQJVNQGK-HNNXBMFYSA-N -1 0 324.380 3.481 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000265478 180742513 /nfs/dbraw/zinc/74/25/13/180742513.db2.gz SFCROKYNRQQVIP-KBXCAEBGSA-N -1 0 317.385 3.355 50 0 DGAARM CC(C)(C)c1ccccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000236748625 201992037 /nfs/dbraw/zinc/99/20/37/201992037.db2.gz ZCYGAOHUVVJGGS-UHFFFAOYSA-N -1 0 301.342 3.205 50 0 DGAARM COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[O-])c2c1 ZINC000001459147 180867862 /nfs/dbraw/zinc/86/78/62/180867862.db2.gz ZUDVFDNJNAOVQK-UHFFFAOYSA-N -1 0 323.304 3.337 50 0 DGAARM Cc1cc(C)cc(Nc2nnc(S[C@@H](C)C(=O)[O-])s2)c1 ZINC000002617008 180939309 /nfs/dbraw/zinc/93/93/09/180939309.db2.gz PLLZVLJAYWWDSC-VIFPVBQESA-N -1 0 309.416 3.464 50 0 DGAARM CCc1ccc([C@@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000004014658 181062008 /nfs/dbraw/zinc/06/20/08/181062008.db2.gz YBABIICYXRRHAQ-QGZVFWFLSA-N -1 0 309.365 3.421 50 0 DGAARM O=S(=O)([N-]c1ccccc1O)c1cc(Cl)ccc1Cl ZINC000004618407 181129703 /nfs/dbraw/zinc/12/97/03/181129703.db2.gz VAOVPOYKUJTBFM-UHFFFAOYSA-N -1 0 318.181 3.500 50 0 DGAARM COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)[O-] ZINC000004739716 181145054 /nfs/dbraw/zinc/14/50/54/181145054.db2.gz YDZQSACURHDLKH-UHFFFAOYSA-N -1 0 321.760 3.424 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc(Cl)c2)cc1 ZINC000004776190 181150935 /nfs/dbraw/zinc/15/09/35/181150935.db2.gz SLJSCUZUUJUMLL-UHFFFAOYSA-N -1 0 308.786 3.305 50 0 DGAARM Cc1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)on1 ZINC000068011287 432049229 /nfs/dbraw/zinc/04/92/29/432049229.db2.gz LCADRRMIMBEUCF-UHFFFAOYSA-N -1 0 320.761 3.407 50 0 DGAARM CC(C)c1ccc(Cc2nnc(Nc3cccnc3)[n-]c2=O)cc1 ZINC000005154617 181211067 /nfs/dbraw/zinc/21/10/67/181211067.db2.gz IAYAPTVJJHZECO-UHFFFAOYSA-N -1 0 321.384 3.018 50 0 DGAARM CC(=C\c1ccccc1)/C=C1\SC(=O)N(CCC(=O)[O-])C1=O ZINC000005164700 181212338 /nfs/dbraw/zinc/21/23/38/181212338.db2.gz OMMDOWQBLAXFBP-QXGKOBNPSA-N -1 0 317.366 3.144 50 0 DGAARM CCn1c(C)cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C ZINC000237207131 202189274 /nfs/dbraw/zinc/18/92/74/202189274.db2.gz QIXCEOXUNGVBMN-UHFFFAOYSA-N -1 0 304.321 3.214 50 0 DGAARM O=C([O-])CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000000244777 304073356 /nfs/dbraw/zinc/07/33/56/304073356.db2.gz KGAMZALMAUKYRZ-UHFFFAOYSA-N -1 0 307.375 3.220 50 0 DGAARM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(F)c1 ZINC000237530819 202272773 /nfs/dbraw/zinc/27/27/73/202272773.db2.gz HISWXNYNUYAARO-ZIAGYGMSSA-N -1 0 321.392 3.423 50 0 DGAARM Cc1ccccc1C1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000237701142 202331913 /nfs/dbraw/zinc/33/19/13/202331913.db2.gz ISYSCYIMUAAQLQ-UHFFFAOYSA-N -1 0 313.353 3.306 50 0 DGAARM Cc1c2ccccc2oc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237753362 202345263 /nfs/dbraw/zinc/34/52/63/202345263.db2.gz MJAZKDWXDXFIMJ-CYBMUJFWSA-N -1 0 315.369 3.458 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000262089612 203195434 /nfs/dbraw/zinc/19/54/34/203195434.db2.gz HTWJRDLBWLEFAU-ZIAGYGMSSA-N -1 0 301.367 3.002 50 0 DGAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1nccs1 ZINC000262548292 203327220 /nfs/dbraw/zinc/32/72/20/203327220.db2.gz SNYWUXNNFIMBGF-UHFFFAOYSA-N -1 0 304.371 3.029 50 0 DGAARM O=C([O-])[C@H](CNC(=O)c1ccco1)Cc1ccc2ccccc2c1 ZINC000096480551 193663884 /nfs/dbraw/zinc/66/38/84/193663884.db2.gz FTYZQURNGCCSRG-INIZCTEOSA-N -1 0 323.348 3.106 50 0 DGAARM CCC(CC)(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000011261354 181688150 /nfs/dbraw/zinc/68/81/50/181688150.db2.gz NBWLLBNJLZBSQV-UHFFFAOYSA-N -1 0 303.280 3.324 50 0 DGAARM CCO[N-]C(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC000012736425 181791479 /nfs/dbraw/zinc/79/14/79/181791479.db2.gz ONOMFMXSQAIHAM-UHFFFAOYSA-N -1 0 301.342 3.234 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cccs1)c1ccccc1Cl ZINC000013172606 181836675 /nfs/dbraw/zinc/83/66/75/181836675.db2.gz IESUASLYBXFTQY-NSHDSACASA-N -1 0 309.774 3.347 50 0 DGAARM O=C([O-])c1ccc(CCNC(=O)c2ccccc2Cl)cc1 ZINC000013442415 181850825 /nfs/dbraw/zinc/85/08/25/181850825.db2.gz RSTRSEHIPZZAAN-UHFFFAOYSA-N -1 0 303.745 3.011 50 0 DGAARM CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000097237017 193696726 /nfs/dbraw/zinc/69/67/26/193696726.db2.gz OPYBBIZKDZPLJB-UHFFFAOYSA-N -1 0 324.258 3.020 50 0 DGAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nn1-c1ccccc1 ZINC000015441910 182002330 /nfs/dbraw/zinc/00/23/30/182002330.db2.gz PMCYNLWGLSPXDL-UHFFFAOYSA-N -1 0 322.320 3.009 50 0 DGAARM O=c1c2ccc(F)cc2[n-]cc1S(=O)(=O)c1cccc(F)c1 ZINC000015829337 182019107 /nfs/dbraw/zinc/01/91/07/182019107.db2.gz FZTOUSHRALWIFX-UHFFFAOYSA-N -1 0 321.304 3.051 50 0 DGAARM O=c1c2cccc(F)c2[n-]cc1S(=O)(=O)c1cccc(F)c1 ZINC000015829359 182019170 /nfs/dbraw/zinc/01/91/70/182019170.db2.gz HJNIZDWGJCNGPX-UHFFFAOYSA-N -1 0 321.304 3.051 50 0 DGAARM CC(C)(C)c1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])no1 ZINC000017055307 182072641 /nfs/dbraw/zinc/07/26/41/182072641.db2.gz OVTSMGWRJLRZKQ-FMPDERDJSA-N -1 0 320.389 3.048 50 0 DGAARM Cc1nn(CC(=O)[O-])c2nc(-c3cccs3)cc(C(F)F)c12 ZINC000020349778 182210411 /nfs/dbraw/zinc/21/04/11/182210411.db2.gz ZZDBNIKNOBRAQV-UHFFFAOYSA-N -1 0 323.324 3.490 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020457885 182220225 /nfs/dbraw/zinc/22/02/25/182220225.db2.gz NUVDEJFHUJECRG-UHFFFAOYSA-N -1 0 310.353 3.195 50 0 DGAARM Cc1cc(C)nc(-n2[n-]c(-c3ccc(Cl)cc3)cc2=O)n1 ZINC000100096865 193794543 /nfs/dbraw/zinc/79/45/43/193794543.db2.gz AXZVGHASBLDTHQ-UHFFFAOYSA-N -1 0 300.749 3.305 50 0 DGAARM Cc1cc(C)c2c(n1)sc1c2ncnc1SCC(=O)[O-] ZINC000032102795 182635589 /nfs/dbraw/zinc/63/55/89/182635589.db2.gz SSCMZXXBOJXAIY-UHFFFAOYSA-N -1 0 305.384 3.033 50 0 DGAARM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000042337244 183255965 /nfs/dbraw/zinc/25/59/65/183255965.db2.gz XGWDKUVITBJPBG-UHFFFAOYSA-N -1 0 315.803 3.433 50 0 DGAARM CCc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)sc1C ZINC000043589713 183373957 /nfs/dbraw/zinc/37/39/57/183373957.db2.gz KMSADMDHWOBUKB-GFCCVEGCSA-N -1 0 309.431 3.336 50 0 DGAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000046053461 183546709 /nfs/dbraw/zinc/54/67/09/183546709.db2.gz HBNAXOFBUFDOJV-UHFFFAOYSA-N -1 0 310.353 3.237 50 0 DGAARM COc1ccccc1NC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000057658260 184045169 /nfs/dbraw/zinc/04/51/69/184045169.db2.gz SIJWNQUWKPGGLA-CQSZACIVSA-N -1 0 313.353 3.282 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cccc(Cl)c1 ZINC000064980627 184307586 /nfs/dbraw/zinc/30/75/86/184307586.db2.gz CMJZDICNYIXBDT-UHFFFAOYSA-N -1 0 320.776 3.349 50 0 DGAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc2ccccc2o1 ZINC000336877831 253017508 /nfs/dbraw/zinc/01/75/08/253017508.db2.gz XKRORWQCRWIOHY-QGZVFWFLSA-N -1 0 321.332 3.257 50 0 DGAARM Cc1nc(-c2nnn(-c3ccc(C)cc3)c2C)sc1C(=O)[O-] ZINC000071328548 256542730 /nfs/dbraw/zinc/54/27/30/256542730.db2.gz CBINOGFKHXPLEF-UHFFFAOYSA-N -1 0 314.370 3.014 50 0 DGAARM O=C(C=C([O-])c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000100925502 256566622 /nfs/dbraw/zinc/56/66/22/256566622.db2.gz LTCZSMDKNVMICV-UHFFFAOYSA-N -1 0 319.588 3.458 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000004686705 257267651 /nfs/dbraw/zinc/26/76/51/257267651.db2.gz UAJCGCIFABRIRL-NSHDSACASA-N -1 0 309.774 3.347 50 0 DGAARM O=C([O-])c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000045796149 257269996 /nfs/dbraw/zinc/26/99/96/257269996.db2.gz HVKTXTXDUVLYRS-UHFFFAOYSA-N -1 0 321.258 3.197 50 0 DGAARM O=C([O-])Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000000408202 400079491 /nfs/dbraw/zinc/07/94/91/400079491.db2.gz TXVFYWVHGYSLRY-UHFFFAOYSA-N -1 0 301.121 3.269 50 0 DGAARM CC(C)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000379477287 400255814 /nfs/dbraw/zinc/25/58/14/400255814.db2.gz YHAIZGARMORCQE-AWEZNQCLSA-N -1 0 323.389 3.033 50 0 DGAARM O=C([O-])[C@H]1CC(=O)N(c2cc(Cl)c(Cl)cc2Cl)C1 ZINC000021008809 400190861 /nfs/dbraw/zinc/19/08/61/400190861.db2.gz UIRKYSAZDGPFNU-YFKPBYRVSA-N -1 0 308.548 3.084 50 0 DGAARM O=C(NCc1ccnc(C2CC2)c1)c1cc(F)c(F)c([O-])c1F ZINC000390833334 400273836 /nfs/dbraw/zinc/27/38/36/400273836.db2.gz GFHRUCQCALEQOD-UHFFFAOYSA-N -1 0 322.286 3.012 50 0 DGAARM C[C@@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C\c2ccccc2)S1 ZINC000034782181 400386776 /nfs/dbraw/zinc/38/67/76/400386776.db2.gz MQPFPMFLYICOQL-UJCRKMEWSA-N -1 0 306.408 3.434 50 0 DGAARM CC(C)(C)c1ncc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cn1 ZINC000606444307 400912833 /nfs/dbraw/zinc/91/28/33/400912833.db2.gz CKQGRWMCRPJEKB-GUBXDBFYSA-N -1 0 315.398 3.499 50 0 DGAARM CC(C)[C@](C)(NC(=O)/C=C\c1cccc2ccccc12)C(=O)[O-] ZINC000606442895 400913075 /nfs/dbraw/zinc/91/30/75/400913075.db2.gz BPKZLWKZWKCEEI-JZHDPFOFSA-N -1 0 311.381 3.469 50 0 DGAARM O=C([O-])/C=C\c1cnc(/C=C\c2ccc3c(c2)OCCO3)s1 ZINC000606443609 400913584 /nfs/dbraw/zinc/91/35/84/400913584.db2.gz CCEVUMLYPRKHCP-SXUARNTMSA-N -1 0 315.350 3.183 50 0 DGAARM C[C@H](CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1)C(=O)[O-] ZINC000195551919 400924127 /nfs/dbraw/zinc/92/41/27/400924127.db2.gz QXYYQMVMGXPISQ-SECBINFHSA-N -1 0 320.776 3.147 50 0 DGAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C1CCCCC1 ZINC000630129573 401195132 /nfs/dbraw/zinc/19/51/32/401195132.db2.gz KLSMHQXBQCGJHT-UONOGXRCSA-N -1 0 307.415 3.098 50 0 DGAARM CC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCC(F)(F)CC1 ZINC000630142494 401198635 /nfs/dbraw/zinc/19/86/35/401198635.db2.gz AXFQOKFJEPROHU-UHFFFAOYSA-N -1 0 311.328 3.468 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630218769 401220090 /nfs/dbraw/zinc/22/00/90/401220090.db2.gz SSEZMNIHPWCSJT-JONQDZQNSA-N -1 0 319.376 3.079 50 0 DGAARM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000630294014 401236937 /nfs/dbraw/zinc/23/69/37/401236937.db2.gz DXTXOLQGPPWEPB-WWGRRREGSA-N -1 0 324.380 3.187 50 0 DGAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC000634804346 401351165 /nfs/dbraw/zinc/35/11/65/401351165.db2.gz DYGOVEUKKCWGTJ-LBPRGKRZSA-N -1 0 319.357 3.243 50 0 DGAARM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183766886 287379925 /nfs/dbraw/zinc/37/99/25/287379925.db2.gz LETKNIUGMLPYFI-LLVKDONJSA-N -1 0 305.355 3.189 50 0 DGAARM Cc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)s1 ZINC000347409804 264216052 /nfs/dbraw/zinc/21/60/52/264216052.db2.gz JRIJENORMPSTIQ-ALCCZGGFSA-N -1 0 304.371 3.048 50 0 DGAARM Cc1ccc(OCc2nc(/C=C(\C#N)C(=O)[O-])cs2)cc1 ZINC000096035585 270003210 /nfs/dbraw/zinc/00/32/10/270003210.db2.gz MFNNDHKEFOTJIC-IZZDOVSWSA-N -1 0 300.339 3.022 50 0 DGAARM Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000029682 425529877 /nfs/dbraw/zinc/52/98/77/425529877.db2.gz CMDKKNFFLLZLJV-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003643744 277953961 /nfs/dbraw/zinc/95/39/61/277953961.db2.gz FQEPJUOLUDFINX-WBVHZDCISA-N -1 0 308.333 3.167 50 0 DGAARM CC(=O)c1c([O-])cc(C)n(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000016769760 278241751 /nfs/dbraw/zinc/24/17/51/278241751.db2.gz PEXXSSYDEWYRQW-UHFFFAOYSA-N -1 0 311.259 3.073 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000039418 431114339 /nfs/dbraw/zinc/11/43/39/431114339.db2.gz MKTXPHPVPAIBJL-IMTBSYHQSA-N -1 0 317.292 3.303 50 0 DGAARM COC(=O)C1[C@@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000000053361 431116170 /nfs/dbraw/zinc/11/61/70/431116170.db2.gz TWVUUWMGOMIING-JUVOFCAFSA-N -1 0 310.349 3.058 50 0 DGAARM O=C([O-])CSc1nc(-c2ccccc2)nc2c1CCCC2 ZINC000000076327 431118545 /nfs/dbraw/zinc/11/85/45/431118545.db2.gz JCINOIXFFHAMFR-UHFFFAOYSA-N -1 0 300.383 3.199 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1F ZINC000000114132 431128027 /nfs/dbraw/zinc/12/80/27/431128027.db2.gz UQCPRIMQMWLGEU-UHFFFAOYSA-N -1 0 316.357 3.483 50 0 DGAARM CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000150009 431134827 /nfs/dbraw/zinc/13/48/27/431134827.db2.gz GTYJWAXDSFDPFA-UHFFFAOYSA-N -1 0 323.348 3.310 50 0 DGAARM C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1 ZINC000000314300 431163914 /nfs/dbraw/zinc/16/39/14/431163914.db2.gz PHTGBGXBBKUBGF-RHSMWYFYSA-N -1 0 311.381 3.197 50 0 DGAARM O=C([O-])c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000000312548 431165449 /nfs/dbraw/zinc/16/54/49/431165449.db2.gz ISTITOKMPPPWKZ-UHFFFAOYSA-N -1 0 307.231 3.113 50 0 DGAARM O=C([O-])[C@H](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000000203012 431145033 /nfs/dbraw/zinc/14/50/33/431145033.db2.gz FWIQVBCMXHWGTN-ZDUSSCGKSA-N -1 0 301.317 3.098 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2C)cc1 ZINC000000226689 431146364 /nfs/dbraw/zinc/14/63/64/431146364.db2.gz JYCWPLSTBBIBFU-UHFFFAOYSA-N -1 0 319.411 3.109 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)no1 ZINC000001049017 431213417 /nfs/dbraw/zinc/21/34/17/431213417.db2.gz FBOXXYKRQTYKSY-UHFFFAOYSA-N -1 0 313.187 3.152 50 0 DGAARM CCC[C@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-] ZINC000001912280 431240904 /nfs/dbraw/zinc/24/09/04/431240904.db2.gz CUDATLCKNUUVIF-NSHDSACASA-N -1 0 324.178 3.058 50 0 DGAARM CCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)[O-])cc1 ZINC000002262361 431248532 /nfs/dbraw/zinc/24/85/32/431248532.db2.gz FKJFCCRUAKPMGB-HNNXBMFYSA-N -1 0 307.390 3.239 50 0 DGAARM CCCCc1ccc(NC(=O)N[C@@H](CCSC)C(=O)[O-])cc1 ZINC000002399844 431252696 /nfs/dbraw/zinc/25/26/96/431252696.db2.gz CLBDKGFYRRTFPJ-AWEZNQCLSA-N -1 0 324.446 3.357 50 0 DGAARM O=C([O-])CC/C(=C/c1csnn1)c1nc2ccccc2o1 ZINC000071800059 431290600 /nfs/dbraw/zinc/29/06/00/431290600.db2.gz ABEXJOPUTKYVBU-CLFYSBASSA-N -1 0 301.327 3.085 50 0 DGAARM CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000005234956 431307578 /nfs/dbraw/zinc/30/75/78/431307578.db2.gz LEPVVVNGFNERGV-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000007886470 431368044 /nfs/dbraw/zinc/36/80/44/431368044.db2.gz DFKJCWOOWHOCMW-INIZCTEOSA-N -1 0 310.353 3.361 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000007057352 431331859 /nfs/dbraw/zinc/33/18/59/431331859.db2.gz YEDBEJSVGXHPAI-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM Cc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(O)c1 ZINC000008919213 431416564 /nfs/dbraw/zinc/41/65/64/431416564.db2.gz RNOWWLWEZYGJMZ-GOSISDBHSA-N -1 0 313.353 3.072 50 0 DGAARM Cc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000010490481 431462747 /nfs/dbraw/zinc/46/27/47/431462747.db2.gz MBGCYTUERNOESY-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000009280552 431426603 /nfs/dbraw/zinc/42/66/03/431426603.db2.gz WKUUERJXUFDTNB-GJZGRUSLSA-N -1 0 315.756 3.335 50 0 DGAARM O=C([O-])c1cc(Nc2cc(-c3ccccc3)ncn2)ccc1O ZINC000011903120 431485856 /nfs/dbraw/zinc/48/58/56/431485856.db2.gz SISQTLVZUYAZHT-UHFFFAOYSA-N -1 0 307.309 3.291 50 0 DGAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1 ZINC000012414631 431506922 /nfs/dbraw/zinc/50/69/22/431506922.db2.gz CEDZPUKZRRZJCZ-UHFFFAOYSA-N -1 0 308.337 3.103 50 0 DGAARM CCOc1cc(S(=O)(=O)[N-]c2cccc(C)n2)c(C)cc1C ZINC000012560764 431514889 /nfs/dbraw/zinc/51/48/89/431514889.db2.gz NQVBXCVJVGBUPL-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM Cc1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000013464575 431556318 /nfs/dbraw/zinc/55/63/18/431556318.db2.gz QFANMIZYTHPIAI-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CCOC(=O)c1c(SC)[n-]c2c(C)ccc(Cl)c2c1=O ZINC000013466481 431558272 /nfs/dbraw/zinc/55/82/72/431558272.db2.gz NUUDBEADURRSIW-UHFFFAOYSA-N -1 0 311.790 3.389 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000013171311 431550043 /nfs/dbraw/zinc/55/00/43/431550043.db2.gz ZOQPKOZTINIQSQ-LLVKDONJSA-N -1 0 317.316 3.023 50 0 DGAARM CCOc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013253669 431552754 /nfs/dbraw/zinc/55/27/54/431552754.db2.gz VGLMKQBGKBQGMK-AWEZNQCLSA-N -1 0 313.353 3.282 50 0 DGAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000013253230 431552999 /nfs/dbraw/zinc/55/29/99/431552999.db2.gz XLDSSQQHQMZLJX-JTQLQIEISA-N -1 0 323.270 3.301 50 0 DGAARM CCc1cccc(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013341787 431555482 /nfs/dbraw/zinc/55/54/82/431555482.db2.gz NXLMUXLGMWCKKF-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM CC1=CC[C@H](C(=O)[O-])[C@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC000026444507 431674993 /nfs/dbraw/zinc/67/49/93/431674993.db2.gz GUJPAOIGOPJEBR-WDEREUQCSA-N -1 0 316.382 3.292 50 0 DGAARM CC(C)c1cccc2c1O[C@@H](C(C)C)C(=S)N2CC(=O)[O-] ZINC000000003761 280639554 /nfs/dbraw/zinc/63/95/54/280639554.db2.gz CLDJCRWXLDLJLO-AWEZNQCLSA-N -1 0 307.415 3.445 50 0 investigational DGAARM CC(C)c1nc(C(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000036879778 280661862 /nfs/dbraw/zinc/66/18/62/280661862.db2.gz MJHINSZPNGBKAQ-UHFFFAOYSA-N -1 0 300.145 3.396 50 0 DGAARM O=C([O-])[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000034152557 431818452 /nfs/dbraw/zinc/81/84/52/431818452.db2.gz OKFLMULEFDZLKG-SJLPKXTDSA-N -1 0 309.365 3.251 50 0 DGAARM Cc1c2ccccc2sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037416384 431846616 /nfs/dbraw/zinc/84/66/16/431846616.db2.gz BBMYMSVHPYJZMZ-LLVKDONJSA-N -1 0 303.383 3.147 50 0 DGAARM CSc1ccc(CC(=O)NCCCCCCC(=O)[O-])cc1 ZINC000089493857 431867909 /nfs/dbraw/zinc/86/79/09/431867909.db2.gz MUMVLCKOENZQAD-UHFFFAOYSA-N -1 0 309.431 3.102 50 0 DGAARM O=S(=O)([N-]c1cc(CC2CCCCC2)[nH]n1)c1ccccc1 ZINC000084558675 431829075 /nfs/dbraw/zinc/82/90/75/431829075.db2.gz OWTDYCNYDFDPFH-UHFFFAOYSA-N -1 0 319.430 3.333 50 0 DGAARM Cc1nn2c(nc(-c3ccc(C)cc3)cc2C(=O)[O-])c1Cl ZINC000036615718 431839133 /nfs/dbraw/zinc/83/91/33/431839133.db2.gz XQQUUIHKWVRBEL-UHFFFAOYSA-N -1 0 301.733 3.365 50 0 DGAARM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000054500365 431971580 /nfs/dbraw/zinc/97/15/80/431971580.db2.gz AKVVKQMTPQWXQV-KRWDZBQOSA-N -1 0 315.369 3.376 50 0 DGAARM COCCN(Cc1sccc1C)C(=O)c1c([O-])cccc1F ZINC000055283578 431979339 /nfs/dbraw/zinc/97/93/39/431979339.db2.gz JONXPDPMDGEOOV-UHFFFAOYSA-N -1 0 323.389 3.190 50 0 DGAARM CC(C)Oc1cccc(NC(=O)c2ccccc2CC(=O)[O-])c1 ZINC000095929442 431926645 /nfs/dbraw/zinc/92/66/45/431926645.db2.gz NTCOPYRRGWTSKS-UHFFFAOYSA-N -1 0 313.353 3.353 50 0 DGAARM CC(C)c1ccc2cc(C(=O)N3CCC(C(=O)[O-])CC3)[nH]c2c1 ZINC000095956890 431928018 /nfs/dbraw/zinc/92/80/18/431928018.db2.gz UDLPOMSHRQALMO-UHFFFAOYSA-N -1 0 314.385 3.228 50 0 DGAARM Cc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)nn1C(C)(C)C ZINC000095970799 431929680 /nfs/dbraw/zinc/92/96/80/431929680.db2.gz JWKNWNSSUIVQBP-UHFFFAOYSA-N -1 0 315.373 3.205 50 0 DGAARM CC(C)[C@H](C)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000095969541 431929906 /nfs/dbraw/zinc/92/99/06/431929906.db2.gz FIXAVXJMCSOBRA-OAHLLOKOSA-N -1 0 317.429 3.314 50 0 DGAARM CCc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 ZINC000095989355 431933003 /nfs/dbraw/zinc/93/30/03/431933003.db2.gz FRPJPKOTZWJRKK-NSHDSACASA-N -1 0 307.371 3.158 50 0 DGAARM CCCCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000096305729 431944413 /nfs/dbraw/zinc/94/44/13/431944413.db2.gz CUVZXZPFDPPBGT-UHFFFAOYSA-N -1 0 320.414 3.370 50 0 DGAARM O=C([O-])c1cc(Br)cnc1NCc1ccccc1 ZINC000050042945 431945191 /nfs/dbraw/zinc/94/51/91/431945191.db2.gz RXECDVZOLAAISI-UHFFFAOYSA-N -1 0 307.147 3.154 50 0 DGAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccsc1 ZINC000096479600 431952696 /nfs/dbraw/zinc/95/26/96/431952696.db2.gz HVZAPKVHCZBPTI-IINYFYTJSA-N -1 0 321.373 3.323 50 0 DGAARM O=c1nc(Cc2cnoc2)[n-]c2c(-c3ccccc3)nsc21 ZINC000097083565 431959953 /nfs/dbraw/zinc/95/99/53/431959953.db2.gz WRCAOFXSPDGHFA-UHFFFAOYSA-N -1 0 310.338 3.038 50 0 DGAARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000055581234 431984084 /nfs/dbraw/zinc/98/40/84/431984084.db2.gz NGPZOECZWZFRJQ-UHFFFAOYSA-N -1 0 321.789 3.326 50 0 DGAARM O=C([O-])c1coc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000183806730 432328895 /nfs/dbraw/zinc/32/88/95/432328895.db2.gz MSICCIFSGTVRSL-OAHLLOKOSA-N -1 0 313.353 3.215 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000261706349 432442035 /nfs/dbraw/zinc/44/20/35/432442035.db2.gz KMXJWCFBESRQEV-YOEHRIQHSA-N -1 0 315.413 3.210 50 0 DGAARM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@H](C(=O)[O-])C1 ZINC000101979964 281664305 /nfs/dbraw/zinc/66/43/05/281664305.db2.gz FIDBMEIPDKUXJV-CWRNSKLLSA-N -1 0 313.397 3.411 50 0 DGAARM Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)ncc1C(=O)[O-] ZINC000263639989 432560994 /nfs/dbraw/zinc/56/09/94/432560994.db2.gz RQNLPXNMIVEDKR-UHFFFAOYSA-N -1 0 317.654 3.217 50 0 DGAARM Cc1ccsc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263183993 432525952 /nfs/dbraw/zinc/52/59/52/432525952.db2.gz XEAYKFHQUKIKNF-LLVKDONJSA-N -1 0 319.382 3.011 50 0 DGAARM C[C@@H](c1cccs1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263368506 432538218 /nfs/dbraw/zinc/53/82/18/432538218.db2.gz XAKFLKDDZMTGSL-NSHDSACASA-N -1 0 303.383 3.208 50 0 DGAARM Cc1oc(CN(C)C(=O)c2ccc3ncccc3c2)cc1C(=O)[O-] ZINC000195551175 432627760 /nfs/dbraw/zinc/62/77/60/432627760.db2.gz LORSKVUTPKRBLK-UHFFFAOYSA-N -1 0 324.336 3.107 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)c2cccc(-c3ccco3)c2)o1 ZINC000220204481 432666005 /nfs/dbraw/zinc/66/60/05/432666005.db2.gz CWQBMRFZUCLZTN-UHFFFAOYSA-N -1 0 311.293 3.168 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1ccsc1 ZINC000222161446 432671546 /nfs/dbraw/zinc/67/15/46/432671546.db2.gz PNKBZUFJXKXVGQ-DAXSKMNVSA-N -1 0 301.367 3.118 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)o1 ZINC000237980439 432807510 /nfs/dbraw/zinc/80/75/10/432807510.db2.gz LRPLPCLMQIVXBZ-LBPRGKRZSA-N -1 0 303.289 3.094 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC000237993966 432808372 /nfs/dbraw/zinc/80/83/72/432808372.db2.gz DLFDWZHMCFEOES-CYBMUJFWSA-N -1 0 319.332 3.431 50 0 DGAARM CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)[O-])c1=O ZINC000005010751 288751891 /nfs/dbraw/zinc/75/18/91/288751891.db2.gz OHDOXLPWVZXEHP-UHFFFAOYSA-N -1 0 320.348 3.295 50 0 DGAARM COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000004976846 295160397 /nfs/dbraw/zinc/16/03/97/295160397.db2.gz MMZUCRRTSASPKO-HUUCEWRRSA-N -1 0 303.358 3.081 50 0 DGAARM C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)[O-])cc1)c1ccccc1O2 ZINC000045918759 297942706 /nfs/dbraw/zinc/94/27/06/297942706.db2.gz LKYVDEVHSWVJOR-RDTXWAMCSA-N -1 0 324.336 3.154 50 0 DGAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1F ZINC000004784862 298310223 /nfs/dbraw/zinc/31/02/23/298310223.db2.gz DMQFGTGDGVCRPO-ZETCQYMHSA-N -1 0 318.142 3.028 50 0 DGAARM O=C([O-])c1csc(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000567429825 435317116 /nfs/dbraw/zinc/31/71/16/435317116.db2.gz RQCKZNZSHVZNCK-UHFFFAOYSA-N -1 0 305.359 3.010 50 0 DGAARM C[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC000653332795 436163634 /nfs/dbraw/zinc/16/36/34/436163634.db2.gz IFJBOVXNQQFIDF-GUYJKWIASA-N -1 0 301.386 3.242 50 0 DGAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1C ZINC000005730731 302004472 /nfs/dbraw/zinc/00/44/72/302004472.db2.gz NDKSNKQZBYJKPH-UHFFFAOYSA-N -1 0 322.364 3.113 50 0 DGAARM Cc1nc([C@@H](C)NC(=O)c2ccc(F)c(C)c2)sc1C(=O)[O-] ZINC000097235312 323210555 /nfs/dbraw/zinc/21/05/55/323210555.db2.gz QCDWOPLGFPVXSC-SECBINFHSA-N -1 0 322.361 3.088 50 0 DGAARM CCc1ccsc1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000097235290 323210656 /nfs/dbraw/zinc/21/06/56/323210656.db2.gz OIWKVORLTUZRMS-MRVPVSSYSA-N -1 0 324.427 3.265 50 0 DGAARM O=C([O-])c1ccnc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000582796327 324277355 /nfs/dbraw/zinc/27/73/55/324277355.db2.gz CAGHCWNIAPYFJG-CYBMUJFWSA-N -1 0 317.316 3.144 50 0 DGAARM C[C@@H](C(=O)[O-])n1cc(-c2ccc(F)cc2C(F)(F)F)cn1 ZINC000534640945 334311033 /nfs/dbraw/zinc/31/10/33/334311033.db2.gz RZJQXOIZIPYXKM-ZETCQYMHSA-N -1 0 302.227 3.354 50 0 DGAARM COc1ccc([C@@H](O)[P@@](=O)([O-])CCc2ccccc2)cc1 ZINC000000550381 500855571 /nfs/dbraw/zinc/85/55/71/500855571.db2.gz DPXGQGCYSAUEKH-INIZCTEOSA-N -1 0 306.298 3.199 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])on1 ZINC000299751118 529272105 /nfs/dbraw/zinc/27/21/05/529272105.db2.gz POWRSBHWLJMRTH-UNJBNNCHSA-N -1 0 320.389 3.046 50 0 DGAARM O=C([O-])c1ccnc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000263392694 546341887 /nfs/dbraw/zinc/34/18/87/546341887.db2.gz GTHQEOOUOFENMP-QGZVFWFLSA-N -1 0 322.364 3.072 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC000205360912 574815593 /nfs/dbraw/zinc/81/55/93/574815593.db2.gz AJISPVUUZAWPBP-CHWSQXEVSA-N -1 0 309.337 3.003 50 0 DGAARM CC(C)(CC(=O)Nc1ccccc1C(=O)C1CCCC1)C(=O)[O-] ZINC000169992190 575284187 /nfs/dbraw/zinc/28/41/87/575284187.db2.gz ZWXRKMPCFNIDPO-UHFFFAOYSA-N -1 0 317.385 3.499 50 0 DGAARM O=C([O-])c1cccc(CC(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC000262078015 657324417 /nfs/dbraw/zinc/32/44/17/657324417.db2.gz BCONVRFRPUYMBT-KRWDZBQOSA-N -1 0 323.392 3.164 50 0 DGAARM Cc1nc(-c2ccc(NC(=O)C/C=C/C(=O)[O-])cc2)cs1 ZINC000044980270 658933333 /nfs/dbraw/zinc/93/33/33/658933333.db2.gz GKGSQVLAQZKKHN-DUXPYHPUSA-N -1 0 302.355 3.088 50 0 DGAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N(C)Cc1cccnc1 ZINC001506397328 1186222098 /nfs/dbraw/zinc/22/20/98/1186222098.db2.gz PTGKVCGDCUYLJR-OAHLLOKOSA-N -1 0 320.776 3.001 50 0 DGAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2sccc2C)cc1 ZINC001506419732 1186226000 /nfs/dbraw/zinc/22/60/00/1186226000.db2.gz JEWYSHHHZVJVGS-OAHLLOKOSA-N -1 0 305.399 3.323 50 0 DGAARM Cc1c[nH]c([C@@H](C)Nc2cc(C)nc(-c3ccccc3[O-])n2)n1 ZINC001529153194 1187536959 /nfs/dbraw/zinc/53/69/59/1187536959.db2.gz SDPKLSCFYWAGPT-GFCCVEGCSA-N -1 0 309.373 3.362 50 0 DGAARM CCC1(CC)CN([C@H](C(=O)[O-])c2cc(C)ccc2OC)CCO1 ZINC001529155612 1187537196 /nfs/dbraw/zinc/53/71/96/1187537196.db2.gz WEJBGJRFTNEYCI-INIZCTEOSA-N -1 0 321.417 3.020 50 0 DGAARM CC(C)OCCCn1c(=O)c2ccc(Cl)cc2[n-]c1=S ZINC000096682210 185385305 /nfs/dbraw/zinc/38/53/05/185385305.db2.gz OFQRLPNNNHOAJE-UHFFFAOYSA-N -1 0 312.822 3.154 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)NCc1ccsc1)c1cccs1 ZINC000090607327 185306435 /nfs/dbraw/zinc/30/64/35/185306435.db2.gz NZPKWYVFNYZTRY-LLVKDONJSA-N -1 0 309.412 3.074 50 0 DGAARM O=C([O-])CCN(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000095424470 185361477 /nfs/dbraw/zinc/36/14/77/185361477.db2.gz BQKUIBDSFYOEKF-UHFFFAOYSA-N -1 0 315.291 3.032 50 0 DGAARM O=C([O-])CCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000095425307 185361633 /nfs/dbraw/zinc/36/16/33/185361633.db2.gz AIGGIQOGHSQMBQ-UHFFFAOYSA-N -1 0 305.305 3.070 50 0 DGAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccsc1 ZINC000097017396 185397616 /nfs/dbraw/zinc/39/76/16/185397616.db2.gz SHGRMVGBWMNOKD-BXUZGUMPSA-N -1 0 303.383 3.184 50 0 DGAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC000097017494 185397764 /nfs/dbraw/zinc/39/77/64/185397764.db2.gz CMUHGFYGNIOKOS-ZWNOBZJWSA-N -1 0 321.373 3.323 50 0 DGAARM CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000097018317 185397781 /nfs/dbraw/zinc/39/77/81/185397781.db2.gz IQWZGEXXVZOOIF-ABAIWWIYSA-N -1 0 301.342 3.034 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000097017644 185397796 /nfs/dbraw/zinc/39/77/96/185397796.db2.gz LERZNQSTLSHANA-OAHLLOKOSA-N -1 0 313.353 3.104 50 0 DGAARM CCc1ccc(NC(=O)Cc2c(C(=O)[O-])c(C)cn2CC)cc1 ZINC000064980678 432009877 /nfs/dbraw/zinc/00/98/77/432009877.db2.gz NYJPYPFVFGCPDT-UHFFFAOYSA-N -1 0 314.385 3.258 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1ccccc1C ZINC000064983733 432009902 /nfs/dbraw/zinc/00/99/02/432009902.db2.gz IDXMXTOOQJQQPT-UHFFFAOYSA-N -1 0 300.358 3.004 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N(C)c1ccccc1C ZINC000064980687 432010021 /nfs/dbraw/zinc/01/00/21/432010021.db2.gz FWWILGVWDJXXIW-UHFFFAOYSA-N -1 0 314.385 3.029 50 0 DGAARM CCc1ccccc1NC(=O)Cc1c(C(=O)[O-])c(C)cn1CC ZINC000064983734 432010149 /nfs/dbraw/zinc/01/01/49/432010149.db2.gz DQZNFPGEUGKAQJ-UHFFFAOYSA-N -1 0 314.385 3.258 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000170617714 197792877 /nfs/dbraw/zinc/79/28/77/197792877.db2.gz UUAOTAIOFTUQJX-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)sc2c1 ZINC000170625934 197795220 /nfs/dbraw/zinc/79/52/20/197795220.db2.gz VJOFKKSQZJAAHE-VHSXEESVSA-N -1 0 304.371 3.044 50 0 DGAARM O=C([O-])c1ccc(C[C@@H]2CCCN(c3nccs3)C2)cc1 ZINC000072161652 191062560 /nfs/dbraw/zinc/06/25/60/191062560.db2.gz DWKIBWLFIMRTSF-ZDUSSCGKSA-N -1 0 302.399 3.300 50 0 DGAARM O=C([O-])c1ccc([C@@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000072172589 191069791 /nfs/dbraw/zinc/06/97/91/191069791.db2.gz KYDDQIIMVXXMPJ-OAHLLOKOSA-N -1 0 321.380 3.251 50 0 DGAARM Cc1c(O[C@H](C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000107619 180695864 /nfs/dbraw/zinc/69/58/64/180695864.db2.gz ZEPUTSVZUGFVPT-LLVKDONJSA-N -1 0 316.353 3.222 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)s1 ZINC000000353087 180764541 /nfs/dbraw/zinc/76/45/41/180764541.db2.gz VOWOLYAJADPIEY-UHFFFAOYSA-N -1 0 304.396 3.406 50 0 DGAARM Cc1cc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)no1 ZINC000072886963 191248436 /nfs/dbraw/zinc/24/84/36/191248436.db2.gz LKTCOIORSAPZST-UHFFFAOYSA-N -1 0 303.343 3.059 50 0 DGAARM Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1C ZINC000000541329 180817572 /nfs/dbraw/zinc/81/75/72/180817572.db2.gz ZEKQNQDNJUREEV-INIZCTEOSA-N -1 0 312.369 3.121 50 0 biogenic DGAARM O=C([O-])c1cccc(CSc2nnc(-c3ccncc3)o2)c1 ZINC000000574201 180825172 /nfs/dbraw/zinc/82/51/72/180825172.db2.gz YGJKMSYPNYBKEQ-UHFFFAOYSA-N -1 0 313.338 3.122 50 0 DGAARM O=C([O-])/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000003887821 181052844 /nfs/dbraw/zinc/05/28/44/181052844.db2.gz OXIKLRTYAYRAOE-CMDGGOBGSA-N -1 0 305.337 3.091 50 0 DGAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000003983742 181059724 /nfs/dbraw/zinc/05/97/24/181059724.db2.gz BFARJUBDWYUUHV-SNVBAGLBSA-N -1 0 319.744 3.444 50 0 DGAARM O=C([O-])c1c2c(sc1NC(=O)C(F)(F)F)CCCCC2 ZINC000004099967 181073732 /nfs/dbraw/zinc/07/37/32/181073732.db2.gz OBUFCAALNYXVJA-UHFFFAOYSA-N -1 0 307.293 3.216 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)C(F)(F)F)c1cccc2ccccc21 ZINC000004072846 181069579 /nfs/dbraw/zinc/06/95/79/181069579.db2.gz OBZYGVHHXAUOGT-GFCCVEGCSA-N -1 0 311.259 3.034 50 0 DGAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CCCCC2)cc1 ZINC000004197240 181084657 /nfs/dbraw/zinc/08/46/57/181084657.db2.gz UNUGZVUJEWGPEL-RDJZCZTQSA-N -1 0 317.385 3.002 50 0 DGAARM Cc1onc(C(=O)[O-])c1COc1cccc(C(F)(F)F)c1 ZINC000004294495 181093715 /nfs/dbraw/zinc/09/37/15/181093715.db2.gz QHXTUNWPRKRCMF-UHFFFAOYSA-N -1 0 301.220 3.279 50 0 DGAARM COc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1 ZINC000004651540 181132179 /nfs/dbraw/zinc/13/21/79/181132179.db2.gz WOALXUBOIUFZFN-LSDHHAIUSA-N -1 0 303.358 3.081 50 0 DGAARM Cc1nc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2nc1C ZINC000004788834 181152705 /nfs/dbraw/zinc/15/27/05/181152705.db2.gz QYUGBMLFOORWSX-UHFFFAOYSA-N -1 0 315.373 3.076 50 0 DGAARM CCOc1ccc2nc(NC(=O)CCCCC(=O)[O-])sc2c1 ZINC000004832858 181158783 /nfs/dbraw/zinc/15/87/83/181158783.db2.gz SEQIYDWLRWGHBG-UHFFFAOYSA-N -1 0 322.386 3.279 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(CCC(=O)[O-])n1 ZINC000074941253 191392074 /nfs/dbraw/zinc/39/20/74/191392074.db2.gz UVYRREJXGKUNRH-AWEZNQCLSA-N -1 0 320.389 3.171 50 0 DGAARM C[C@@H](C(=O)[O-])n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031259 181194171 /nfs/dbraw/zinc/19/41/71/181194171.db2.gz OYKVTHGWGIJBKU-ZDUSSCGKSA-N -1 0 308.337 3.101 50 0 DGAARM Cc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)cc1C ZINC000005154403 181211432 /nfs/dbraw/zinc/21/14/32/181211432.db2.gz OMZNMRLQBUKOPX-UHFFFAOYSA-N -1 0 324.359 3.255 50 0 DGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NC1CCCCCCC1 ZINC000005450784 181244641 /nfs/dbraw/zinc/24/46/41/181244641.db2.gz MYOAUFUSCGJIEW-MRXNPFEDSA-N -1 0 318.417 3.094 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000005650106 181267803 /nfs/dbraw/zinc/26/78/03/181267803.db2.gz LKUCNRLEDYHFMU-CQSZACIVSA-N -1 0 303.745 3.286 50 0 DGAARM CCCCOC[C@H](O)CCc1n[n-]c(=S)n1-c1ccccc1 ZINC000005694871 181273247 /nfs/dbraw/zinc/27/32/47/181273247.db2.gz HFEIMJUJOICMSW-CQSZACIVSA-N -1 0 321.446 3.040 50 0 DGAARM Cc1ccccc1OCC(=O)c1c([O-])c2ccccc2oc1=O ZINC000005730806 181277985 /nfs/dbraw/zinc/27/79/85/181277985.db2.gz BMGQSROBLVOWHA-UHFFFAOYSA-N -1 0 310.305 3.069 50 0 DGAARM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236844551 202035469 /nfs/dbraw/zinc/03/54/69/202035469.db2.gz GLAUXMQJVFWQTN-SJORKVTESA-N -1 0 315.413 3.237 50 0 DGAARM CC(C)c1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1 ZINC000236882017 202050265 /nfs/dbraw/zinc/05/02/65/202050265.db2.gz DMUDCNRYBQLFNQ-WXHSDQCUSA-N -1 0 322.430 3.124 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000237955807 304060220 /nfs/dbraw/zinc/06/02/20/304060220.db2.gz WIHLNSJGYHJUGT-HNNXBMFYSA-N -1 0 315.413 3.212 50 0 DGAARM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237182003 202178285 /nfs/dbraw/zinc/17/82/85/202178285.db2.gz WEXPBIDQALABLV-SNVBAGLBSA-N -1 0 319.382 3.288 50 0 DGAARM O=c1cc([O-])c2sc(Nc3ccc(F)c(Cl)c3)nc2[nH]1 ZINC000005886324 181292753 /nfs/dbraw/zinc/29/27/53/181292753.db2.gz XRPDNLSBKNYYBI-UHFFFAOYSA-N -1 0 311.725 3.226 50 0 DGAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC1CCSCC1 ZINC000237579470 202290271 /nfs/dbraw/zinc/29/02/71/202290271.db2.gz WULOYMQQTHKBQM-OAHLLOKOSA-N -1 0 321.442 3.160 50 0 DGAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000237643465 202315755 /nfs/dbraw/zinc/31/57/55/202315755.db2.gz NFWZDIWAFGGBRB-JSGCOSHPSA-N -1 0 313.353 3.244 50 0 DGAARM Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237675416 202324973 /nfs/dbraw/zinc/32/49/73/202324973.db2.gz TYRBFZNFINMOHN-CYBMUJFWSA-N -1 0 315.394 3.270 50 0 DGAARM Cc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000237727295 202339559 /nfs/dbraw/zinc/33/95/59/202339559.db2.gz ZKQYLTCNVWBLNE-UHFFFAOYSA-N -1 0 309.365 3.193 50 0 DGAARM Cc1ccc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])[nH]c2c1 ZINC000237887781 202381538 /nfs/dbraw/zinc/38/15/38/202381538.db2.gz HGXJRQMIXFJXQJ-CQSZACIVSA-N -1 0 314.385 3.336 50 0 DGAARM O=C([O-])[C@@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000001383809 304100224 /nfs/dbraw/zinc/10/02/24/304100224.db2.gz WFSJXMMBWGEBAN-NVXWUHKLSA-N -1 0 301.386 3.384 50 0 DGAARM COc1ccc(-c2c(C)oc3cc([O-])ccc3c2=O)cc1OC ZINC000006556412 181354207 /nfs/dbraw/zinc/35/42/07/181354207.db2.gz OUQFTNLPUKDFDZ-UHFFFAOYSA-N -1 0 312.321 3.491 50 0 biogenic DGAARM O=C([O-])Cc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000006597924 181359291 /nfs/dbraw/zinc/35/92/91/181359291.db2.gz INNWYIBXHQDTLS-UHFFFAOYSA-N -1 0 301.367 3.045 50 0 DGAARM COc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000006699380 181372366 /nfs/dbraw/zinc/37/23/66/181372366.db2.gz PATJQIXMYZRPNW-UHFFFAOYSA-N -1 0 300.314 3.346 50 0 DGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000006706492 181375401 /nfs/dbraw/zinc/37/54/01/181375401.db2.gz QVVBRYXTQKNCEJ-UHFFFAOYSA-N -1 0 313.325 3.164 50 0 DGAARM C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000006764329 181385533 /nfs/dbraw/zinc/38/55/33/181385533.db2.gz IEYZXUCCAQCZEZ-NEPJUHHUSA-N -1 0 315.344 3.186 50 0 DGAARM O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)CCc2cccs2)C1 ZINC000091417056 193053436 /nfs/dbraw/zinc/05/34/36/193053436.db2.gz ABMXDHYRUCZMBV-KRWDZBQOSA-N -1 0 321.442 3.174 50 0 DGAARM Cc1cc(N[C@H](C)CCn2cccn2)nc(-c2ccccc2[O-])n1 ZINC000091621293 193081025 /nfs/dbraw/zinc/08/10/25/193081025.db2.gz ZURJEEIEIACHDE-CYBMUJFWSA-N -1 0 323.400 3.245 50 0 DGAARM CCn1ccnc1-c1c(-c2ccccc2)ncn1[C@H](C)CC(=O)[O-] ZINC000091846511 193116905 /nfs/dbraw/zinc/11/69/05/193116905.db2.gz IABHVLJMBJAPBV-CYBMUJFWSA-N -1 0 324.384 3.469 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000020282949 304147650 /nfs/dbraw/zinc/14/76/50/304147650.db2.gz GPMRWWDIUGJBIG-SWHYSGLUSA-N -1 0 307.777 3.198 50 0 DGAARM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263554012 203478704 /nfs/dbraw/zinc/47/87/04/203478704.db2.gz XYUPZOOQQNGONR-YWPYICTPSA-N -1 0 305.374 3.037 50 0 DGAARM CCCc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000096479628 193662985 /nfs/dbraw/zinc/66/29/85/193662985.db2.gz IGFTUZLPSSEFST-VIFPVBQESA-N -1 0 324.427 3.103 50 0 DGAARM Cc1oc2ccc(O)cc2c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000007952259 181511175 /nfs/dbraw/zinc/51/11/75/181511175.db2.gz APQPUGWDRAEMFQ-UHFFFAOYSA-N -1 0 311.293 3.397 50 0 DGAARM O=C([O-])c1ccc(NC(=O)CSc2ccccc2F)cc1 ZINC000013166807 181835715 /nfs/dbraw/zinc/83/57/15/181835715.db2.gz LADDOBFOBGHKMM-UHFFFAOYSA-N -1 0 305.330 3.255 50 0 DGAARM CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013469949 181853135 /nfs/dbraw/zinc/85/31/35/181853135.db2.gz UGHKGBZJVKFHOJ-QWHCGFSZSA-N -1 0 317.385 3.295 50 0 DGAARM CC(C)n1cc2cc(NC(=O)c3ccc(C(=O)[O-])o3)ccc2n1 ZINC000097231578 193695051 /nfs/dbraw/zinc/69/50/51/193695051.db2.gz HDKANCADMJTBOU-UHFFFAOYSA-N -1 0 313.313 3.161 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)s2)cc1 ZINC000015922040 182024490 /nfs/dbraw/zinc/02/44/90/182024490.db2.gz VZOBZDWUQRPGMY-UHFFFAOYSA-N -1 0 314.815 3.367 50 0 DGAARM COc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[n-]2)c1 ZINC000015919749 182024338 /nfs/dbraw/zinc/02/43/38/182024338.db2.gz XWUMEVFOKJREEE-UHFFFAOYSA-N -1 0 317.348 3.365 50 0 DGAARM CCCCSc1nc([O-])c(CC)c(=O)n1-c1ccccc1 ZINC000016514084 182048073 /nfs/dbraw/zinc/04/80/73/182048073.db2.gz FTFUIDNXDXQWBC-UHFFFAOYSA-N -1 0 304.415 3.393 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001383644 304175739 /nfs/dbraw/zinc/17/57/39/304175739.db2.gz NUJRBPAPDJJNKE-RYUDHWBXSA-N -1 0 313.275 3.311 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Br ZINC000005679727 304175956 /nfs/dbraw/zinc/17/59/56/304175956.db2.gz VAEQUGGDYIQASA-ZJUUUORDSA-N -1 0 324.174 3.055 50 0 DGAARM O=C(CCOCC(F)(F)F)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160757316 197436399 /nfs/dbraw/zinc/43/63/99/197436399.db2.gz PYSNPIJKXGWJNO-UHFFFAOYSA-N -1 0 320.292 3.024 50 0 DGAARM Cc1ccc2nc([N-]c3nc(C)c4c(n3)CCCC4=O)ncc2c1 ZINC000019957395 182170322 /nfs/dbraw/zinc/17/03/22/182170322.db2.gz LCPSXPYCYLSQDJ-UHFFFAOYSA-N -1 0 319.368 3.299 50 0 DGAARM COc1cccc(Nc2ncnc3sc(C(=O)[O-])c(C)c32)c1 ZINC000020328354 182208453 /nfs/dbraw/zinc/20/84/53/182208453.db2.gz JRHLOUXMTURNBT-UHFFFAOYSA-N -1 0 315.354 3.450 50 0 DGAARM COc1cccc(-c2cc(C(=O)[O-])n3nc(C)c(Cl)c3n2)c1 ZINC000020617282 182239588 /nfs/dbraw/zinc/23/95/88/182239588.db2.gz HVOPOPJSCYRMQF-UHFFFAOYSA-N -1 0 317.732 3.065 50 0 DGAARM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(F)cc1F ZINC000024952199 182396332 /nfs/dbraw/zinc/39/63/32/182396332.db2.gz GFVCUEIZYALOBQ-UHFFFAOYSA-N -1 0 321.352 3.307 50 0 DGAARM Cc1ccc(-c2noc(-c3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC000032578991 182648862 /nfs/dbraw/zinc/64/88/62/182648862.db2.gz SFFPNLCWFCVSGZ-UHFFFAOYSA-N -1 0 310.309 3.175 50 0 DGAARM O=C([O-])[C@H]1CC[C@H](C(=O)N(CC2CCC2)CC(F)(F)F)CC1 ZINC000262684208 304194934 /nfs/dbraw/zinc/19/49/34/304194934.db2.gz BTSWLXNBWCXCGS-HAQNSBGRSA-N -1 0 321.339 3.068 50 0 DGAARM O=C([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c1=O ZINC000261494805 304220204 /nfs/dbraw/zinc/22/02/04/304220204.db2.gz IBIMCQOYEPBGQG-UHFFFAOYSA-N -1 0 318.638 3.220 50 0 DGAARM O=C([O-])c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000209772 304229728 /nfs/dbraw/zinc/22/97/28/304229728.db2.gz CVWQXSRDDMGZQX-UHFFFAOYSA-N -1 0 313.260 3.175 50 0 DGAARM CC(C)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000062742115 184251772 /nfs/dbraw/zinc/25/17/72/184251772.db2.gz FMAYYYLDAXYSFK-SNVBAGLBSA-N -1 0 313.279 3.170 50 0 DGAARM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC000063021279 184267194 /nfs/dbraw/zinc/26/71/94/184267194.db2.gz KSOMJBHILWVEMC-GFCCVEGCSA-N -1 0 309.793 3.365 50 0 DGAARM CC(C)[C@@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063811928 184289026 /nfs/dbraw/zinc/28/90/26/184289026.db2.gz JONIPEILWONZHA-ZDUSSCGKSA-N -1 0 317.414 3.259 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cn1 ZINC000237975418 304233447 /nfs/dbraw/zinc/23/34/47/304233447.db2.gz XTVMQBQYZGDSRZ-AWEZNQCLSA-N -1 0 314.341 3.130 50 0 DGAARM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc2c(c1)CCC2 ZINC000075104914 257253680 /nfs/dbraw/zinc/25/36/80/257253680.db2.gz JWEHPQNVDFPESX-UHFFFAOYSA-N -1 0 308.790 3.025 50 0 DGAARM CCS[C@H]1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000097374647 400285981 /nfs/dbraw/zinc/28/59/81/400285981.db2.gz ZSEOKAWGUFAAIW-SFYZADRCSA-N -1 0 319.348 3.214 50 0 DGAARM O=C([O-])CCCc1nc2ccccc2c2nc3ccccc3n21 ZINC000031847936 400355881 /nfs/dbraw/zinc/35/58/81/400355881.db2.gz HHCKLTWOFGWIFN-UHFFFAOYSA-N -1 0 305.337 3.443 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000043589672 400472687 /nfs/dbraw/zinc/47/26/87/400472687.db2.gz ATVFOXAOJXLEMV-QMMMGPOBSA-N -1 0 319.188 3.039 50 0 DGAARM COC(=O)c1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc1 ZINC000606443528 400913161 /nfs/dbraw/zinc/91/31/61/400913161.db2.gz APMKMIRYLQUWHW-ZSITZFGTSA-N -1 0 315.350 3.198 50 0 DGAARM CC(C)[C@@](C)(NC(=O)/C=C\c1cccc2ccccc12)C(=O)[O-] ZINC000606442897 400913500 /nfs/dbraw/zinc/91/35/00/400913500.db2.gz BPKZLWKZWKCEEI-YAINUAMHSA-N -1 0 311.381 3.469 50 0 DGAARM CC(C)(C)c1ncc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cn1 ZINC000606444309 400913544 /nfs/dbraw/zinc/91/35/44/400913544.db2.gz CKQGRWMCRPJEKB-XGXWUAJZSA-N -1 0 315.398 3.499 50 0 DGAARM Cn1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc2ccccc21 ZINC000237711112 400993922 /nfs/dbraw/zinc/99/39/22/400993922.db2.gz KWTJIDJHNYPNJX-CQSZACIVSA-N -1 0 314.385 3.038 50 0 DGAARM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000630161011 401205810 /nfs/dbraw/zinc/20/58/10/401205810.db2.gz RSFSARUGOPCYJP-DLBZAZTESA-N -1 0 309.365 3.364 50 0 DGAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1C ZINC000630277486 401231798 /nfs/dbraw/zinc/23/17/98/401231798.db2.gz DLTJCERRBRRZNA-JYJNAYRXSA-N -1 0 301.386 3.019 50 0 DGAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1 ZINC000136466827 432156675 /nfs/dbraw/zinc/15/66/75/432156675.db2.gz AEWRHKFOQKZUHB-INIZCTEOSA-N -1 0 317.385 3.087 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3F)s2)C1 ZINC000299743284 229381887 /nfs/dbraw/zinc/38/18/87/229381887.db2.gz MXDDISWAYLIBKN-SNVBAGLBSA-N -1 0 319.357 3.101 50 0 DGAARM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1(C)C ZINC000156206773 278229582 /nfs/dbraw/zinc/22/95/82/278229582.db2.gz FFMKEMZPRRNZJG-WDEREUQCSA-N -1 0 318.398 3.306 50 0 DGAARM CC(=O)c1cccc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])c1 ZINC000004724911 278251166 /nfs/dbraw/zinc/25/11/66/278251166.db2.gz WOIGSWDJDIGQSS-KGLIPLIRSA-N -1 0 321.760 3.061 50 0 DGAARM CC(C)(C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070271590 278340087 /nfs/dbraw/zinc/34/00/87/278340087.db2.gz OCIIVILFDNJYOS-RNCFNFMXSA-N -1 0 313.756 3.252 50 0 DGAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000000047976 431113814 /nfs/dbraw/zinc/11/38/14/431113814.db2.gz ICBSLSGMOTUPAX-UHFFFAOYSA-N -1 0 307.305 3.371 50 0 DGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccs2)cc1 ZINC000000106267 431126716 /nfs/dbraw/zinc/12/67/16/431126716.db2.gz WWLQRKAJQCHHFO-ZDUSSCGKSA-N -1 0 319.382 3.093 50 0 DGAARM COc1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000152779 431135774 /nfs/dbraw/zinc/13/57/74/431135774.db2.gz KZHZIPGFHPRPGL-AWEZNQCLSA-N -1 0 313.353 3.282 50 0 DGAARM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000000503617 431193561 /nfs/dbraw/zinc/19/35/61/431193561.db2.gz UPMXJSMZVZWUHV-UHFFFAOYSA-N -1 0 322.320 3.194 50 0 DGAARM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000000227493 431149543 /nfs/dbraw/zinc/14/95/43/431149543.db2.gz SQIZSWHUYWUFJS-UHFFFAOYSA-N -1 0 317.366 3.196 50 0 DGAARM CC(C)(C)OC(=O)N/C(=C/c1c[nH]c2ccccc12)C(=O)[O-] ZINC000002025523 431241075 /nfs/dbraw/zinc/24/10/75/431241075.db2.gz CNXVARGTLHOFML-MDWZMJQESA-N -1 0 302.330 3.118 50 0 DGAARM [O-]C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Cl)=CN12 ZINC000002050159 431245357 /nfs/dbraw/zinc/24/53/57/431245357.db2.gz HYYRJSJFERPXDW-UHFFFAOYSA-N -1 0 319.592 3.085 50 0 DGAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)[O-])ccc12 ZINC000002147842 431246596 /nfs/dbraw/zinc/24/65/96/431246596.db2.gz ZVRGYRUCBJTRFP-NSHDSACASA-N -1 0 304.342 3.296 50 0 biogenic DGAARM CC1(C)S[C@H](c2ccc(Br)cc2)N[C@H]1C(=O)[O-] ZINC000003107979 431282277 /nfs/dbraw/zinc/28/22/77/431282277.db2.gz STJQECQLTIFAFF-VHSXEESVSA-N -1 0 316.220 3.016 50 0 DGAARM Cc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000071788813 431288342 /nfs/dbraw/zinc/28/83/42/431288342.db2.gz LOODRMAUCBUUCH-GJZGRUSLSA-N -1 0 319.401 3.420 50 0 DGAARM CC1(C)CC(=O)c2c([O-])cc(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000006493229 431316703 /nfs/dbraw/zinc/31/67/03/431316703.db2.gz BRAWSOPUHQYROA-UHFFFAOYSA-N -1 0 317.772 3.352 50 0 DGAARM Cc1sc(NC(=O)/C=C/C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002735697 431263761 /nfs/dbraw/zinc/26/37/61/431263761.db2.gz HMBOEIATMYIYJT-BQYQJAHWSA-N -1 0 302.355 3.006 50 0 DGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000002883433 431275095 /nfs/dbraw/zinc/27/50/95/431275095.db2.gz IKAORGOLCXDPLS-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000007402759 431346211 /nfs/dbraw/zinc/34/62/11/431346211.db2.gz LFUQJXPTWFHSSB-UHFFFAOYSA-N -1 0 300.767 3.054 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C ZINC000007708171 431360657 /nfs/dbraw/zinc/36/06/57/431360657.db2.gz SERAJRQZBSLSDT-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=c1c(-c2nc(-c3cccs3)no2)c[n-]c2ccc(F)cc21 ZINC000075352735 431472972 /nfs/dbraw/zinc/47/29/72/431472972.db2.gz CQGOINVAPTVZLV-UHFFFAOYSA-N -1 0 313.313 3.446 50 0 DGAARM Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012394561 431506296 /nfs/dbraw/zinc/50/62/96/431506296.db2.gz AMIFSJBVJVHAJY-UHFFFAOYSA-N -1 0 307.353 3.364 50 0 DGAARM CCc1ccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1 ZINC000012414622 431506561 /nfs/dbraw/zinc/50/65/61/431506561.db2.gz BIGLAVPDLFGGKL-UHFFFAOYSA-N -1 0 308.337 3.048 50 0 DGAARM CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013469947 431557956 /nfs/dbraw/zinc/55/79/56/431557956.db2.gz UGHKGBZJVKFHOJ-CHWSQXEVSA-N -1 0 317.385 3.295 50 0 DGAARM COc1ccccc1NC(=O)CSc1ccccc1C(=O)[O-] ZINC000012937139 431537403 /nfs/dbraw/zinc/53/74/03/431537403.db2.gz GDIZRAZRTXQLAT-UHFFFAOYSA-N -1 0 317.366 3.124 50 0 DGAARM Cc1ccccc1CC[NH2+][C@@H](c1cccc(F)c1)P(=O)([O-])[O-] ZINC000012949450 431538789 /nfs/dbraw/zinc/53/87/89/431538789.db2.gz GSBWMRDNCLQWQI-MRXNPFEDSA-N -1 0 323.304 3.143 50 0 DGAARM C[C@@H](NC(=O)CSc1ccccc1C(=O)[O-])c1cccs1 ZINC000012978336 431540944 /nfs/dbraw/zinc/54/09/44/431540944.db2.gz KFLMVIJOTVAHIH-SNVBAGLBSA-N -1 0 321.423 3.416 50 0 DGAARM CSc1ccc([C@H](NCc2ccccc2)[P@@](=O)([O-])O)cc1 ZINC000012997480 431541017 /nfs/dbraw/zinc/54/10/17/431541017.db2.gz UUUJSCXPTTYYCP-OAHLLOKOSA-N -1 0 323.354 3.375 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000013167512 431549467 /nfs/dbraw/zinc/54/94/67/431549467.db2.gz RYVLMKNPCMBVIK-UHFFFAOYSA-N -1 0 317.316 3.023 50 0 DGAARM CC(=O)c1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000013252508 431552482 /nfs/dbraw/zinc/55/24/82/431552482.db2.gz LKQUXGQLZDQDJG-INIZCTEOSA-N -1 0 311.337 3.086 50 0 DGAARM O=C([O-])C[C@H](NC(=O)CCc1ccccc1F)c1cccs1 ZINC000013389711 431554907 /nfs/dbraw/zinc/55/49/07/431554907.db2.gz NXZTWJOFMNGONS-ZDUSSCGKSA-N -1 0 321.373 3.152 50 0 DGAARM CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013349554 431555460 /nfs/dbraw/zinc/55/54/60/431555460.db2.gz IITQCBQJHHOBPP-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM CC(=O)c1cccc(NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013795684 431568681 /nfs/dbraw/zinc/56/86/81/431568681.db2.gz AAIIKKLBOIYHIJ-UHFFFAOYSA-N -1 0 314.366 3.396 50 0 DGAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(Cl)s1 ZINC000025463850 431657581 /nfs/dbraw/zinc/65/75/81/431657581.db2.gz CGESHTAPYGVFOB-UHFFFAOYSA-N -1 0 313.791 3.079 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1cc(C(F)(F)F)ccc1F ZINC000078556705 431681959 /nfs/dbraw/zinc/68/19/59/431681959.db2.gz ACOUFIKGXKHKQP-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM COCCn1c(C)c(C(=O)[O-])c(C)c1-c1ccc(OC)cc1 ZINC000032920084 431801306 /nfs/dbraw/zinc/80/13/06/431801306.db2.gz YFSUTUTXUOCOQI-UHFFFAOYSA-N -1 0 303.358 3.125 50 0 DGAARM O=C([O-])Cc1ccc(-c2cccc(C(=O)N3CCCC3)c2)cc1 ZINC000085477241 431839870 /nfs/dbraw/zinc/83/98/70/431839870.db2.gz NBHYNYGABCNOFM-UHFFFAOYSA-N -1 0 309.365 3.217 50 0 DGAARM O=C([O-])C1(NC(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000036924568 431842807 /nfs/dbraw/zinc/84/28/07/431842807.db2.gz UNAZTBGYCUSYST-UHFFFAOYSA-N -1 0 302.157 3.121 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000037500811 431848023 /nfs/dbraw/zinc/84/80/23/431848023.db2.gz TZVCTNHRVWCITN-GUBZILKMSA-N -1 0 313.806 3.246 50 0 DGAARM COc1ccccc1-c1noc(-c2c[n-]c3ccccc3c2=O)n1 ZINC000038487624 431855739 /nfs/dbraw/zinc/85/57/39/431855739.db2.gz BSJALRRZPLNOTR-UHFFFAOYSA-N -1 0 319.320 3.254 50 0 DGAARM O=C([O-])c1n[nH]c(-c2cccc(Cl)c2)c1Br ZINC000038478093 431855823 /nfs/dbraw/zinc/85/58/23/431855823.db2.gz GFAYBEBCABHUAP-UHFFFAOYSA-N -1 0 301.527 3.191 50 0 DGAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)NC1CCCCC1)C(=O)[O-] ZINC000035142221 431825783 /nfs/dbraw/zinc/82/57/83/431825783.db2.gz KBHOYRFPYOFLLH-XJKSGUPXSA-N -1 0 303.402 3.330 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000035571140 431832267 /nfs/dbraw/zinc/83/22/67/431832267.db2.gz DAYGDJLPGZOFEW-ZIAGYGMSSA-N -1 0 305.374 3.254 50 0 DGAARM CC(C)Oc1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000036559405 431839311 /nfs/dbraw/zinc/83/93/11/431839311.db2.gz JAFZJNXCQURDCL-UHFFFAOYSA-N -1 0 313.353 3.102 50 0 DGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 ZINC000045796055 431889872 /nfs/dbraw/zinc/88/98/72/431889872.db2.gz QSTLBCVPGMWOKV-MRXNPFEDSA-N -1 0 301.386 3.281 50 0 DGAARM Cc1nn(C(C)(C)C)c(C)c1-c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000055254489 431979713 /nfs/dbraw/zinc/97/97/13/431979713.db2.gz CVXDMTXXCBYHMJ-UHFFFAOYSA-N -1 0 312.373 3.496 50 0 DGAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000095970517 431929965 /nfs/dbraw/zinc/92/99/65/431929965.db2.gz XIVODBOUOLNSAR-UHFFFAOYSA-N -1 0 324.336 3.192 50 0 DGAARM Cc1ccc([C@H]2C[C@H]2C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000095970428 431930004 /nfs/dbraw/zinc/93/00/04/431930004.db2.gz LKTKXEWWOYFXKZ-UONOGXRCSA-N -1 0 315.394 3.175 50 0 DGAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000095989640 431932545 /nfs/dbraw/zinc/93/25/45/431932545.db2.gz IXSFNFXRUSIUOY-UKRRQHHQSA-N -1 0 319.426 3.397 50 0 DGAARM C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000095992020 431932815 /nfs/dbraw/zinc/93/28/15/431932815.db2.gz BQKLDWXFWPZGCL-CHWSQXEVSA-N -1 0 309.431 3.030 50 0 DGAARM CCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCC2 ZINC000049467046 431940594 /nfs/dbraw/zinc/94/05/94/431940594.db2.gz BGNZXLDNFOKYHZ-OAHLLOKOSA-N -1 0 301.386 3.424 50 0 DGAARM N#Cc1cccc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)c1 ZINC000096187951 431941498 /nfs/dbraw/zinc/94/14/98/431941498.db2.gz YEAYBDMQOZLFKY-FPLPWBNLSA-N -1 0 321.332 3.308 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1 ZINC000096402460 431945699 /nfs/dbraw/zinc/94/56/99/431945699.db2.gz NDDNNYUNQDYROK-UWTJGZSJSA-N -1 0 319.357 3.233 50 0 DGAARM O=C([O-])Cc1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000052514897 431956196 /nfs/dbraw/zinc/95/61/96/431956196.db2.gz ZQDSHRQPIBWDGG-UHFFFAOYSA-N -1 0 304.655 3.172 50 0 DGAARM Cc1ccc(C[C@H](CCNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000052507711 431956383 /nfs/dbraw/zinc/95/63/83/431956383.db2.gz MIESPZMBLDUNIP-AWEZNQCLSA-N -1 0 307.390 3.153 50 0 DGAARM CCn1c(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1C ZINC000097035375 431957245 /nfs/dbraw/zinc/95/72/45/431957245.db2.gz KCDHMZOQCAWHMO-ZDUSSCGKSA-N -1 0 320.414 3.132 50 0 DGAARM Cc1cscc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000097035315 431957398 /nfs/dbraw/zinc/95/73/98/431957398.db2.gz JFFRGHAHCNANFK-ZDUSSCGKSA-N -1 0 307.346 3.141 50 0 DGAARM O=C([O-])CCc1ccc(OCc2ccn(-c3ccccc3)n2)cc1 ZINC000097103283 431961096 /nfs/dbraw/zinc/96/10/96/431961096.db2.gz MSFJXWZRMYLWCP-UHFFFAOYSA-N -1 0 322.364 3.469 50 0 DGAARM O=S(=O)([N-]c1ncccn1)c1ccc(Cl)c2ccccc21 ZINC000097114297 431961739 /nfs/dbraw/zinc/96/17/39/431961739.db2.gz KPNIDLFBEDVOGC-UHFFFAOYSA-N -1 0 319.773 3.084 50 0 DGAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccnc(Cl)c2)cc1 ZINC000097228550 431965369 /nfs/dbraw/zinc/96/53/69/431965369.db2.gz OCTPDJQEYPPYQW-UHFFFAOYSA-N -1 0 318.760 3.350 50 0 DGAARM O=C([O-])c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 ZINC000053943976 431965707 /nfs/dbraw/zinc/96/57/07/431965707.db2.gz VPSWUZFWHVMNML-UHFFFAOYSA-N -1 0 308.337 3.396 50 0 DGAARM C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058420767 431996808 /nfs/dbraw/zinc/99/68/08/431996808.db2.gz ZJIFAFVSWRHVAZ-VIFPVBQESA-N -1 0 303.387 3.013 50 0 DGAARM CC(C)OCc1cccc(NC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000183774679 432325427 /nfs/dbraw/zinc/32/54/27/432325427.db2.gz RMXLVSXNOZLBCJ-UHFFFAOYSA-N -1 0 303.314 3.155 50 0 DGAARM COc1ccc2ccccc2c1C=NNc1nc(C)cc(=O)[nH]1 ZINC000254519371 432402840 /nfs/dbraw/zinc/40/28/40/432402840.db2.gz HRQINFHOTKCDEE-UHFFFAOYSA-N -1 0 308.341 3.098 50 0 DGAARM Cc1csc2nc(C)c(C=NNc3ccc(C(=O)[O-])cc3)n12 ZINC000254598701 432403478 /nfs/dbraw/zinc/40/34/78/432403478.db2.gz ZYUKAZMHDXCENZ-UHFFFAOYSA-N -1 0 314.370 3.157 50 0 DGAARM COc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000254435097 432403532 /nfs/dbraw/zinc/40/35/32/432403532.db2.gz WZQDNFBUWQZOFB-UHFFFAOYSA-N -1 0 314.341 3.238 50 0 DGAARM Cc1csc2nc(C)c(C=NNc3ccccc3C(=O)[O-])n12 ZINC000254763739 432405038 /nfs/dbraw/zinc/40/50/38/432405038.db2.gz HCWJXNQUKNUQFE-UHFFFAOYSA-N -1 0 314.370 3.157 50 0 DGAARM S=c1[n-]n(Cc2ccccc2)c(=NCc2ccccc2)s1 ZINC000254824016 432405049 /nfs/dbraw/zinc/40/50/49/432405049.db2.gz NNBYRVSNZJVKNF-UHFFFAOYSA-N -1 0 313.451 3.383 50 0 DGAARM CC(C)c1nc(/C=C\c2cnn3ccccc23)ncc1C(=O)[O-] ZINC000255752715 432412750 /nfs/dbraw/zinc/41/27/50/432412750.db2.gz CAOMRHMEEZWNHM-SREVYHEPSA-N -1 0 308.341 3.116 50 0 DGAARM CC(C)c1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000262327557 432481953 /nfs/dbraw/zinc/48/19/53/432481953.db2.gz DMUDCNRYBQLFNQ-RTXFEEFZSA-N -1 0 322.430 3.124 50 0 DGAARM CN(Cc1csc2ccccc12)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262815990 432503871 /nfs/dbraw/zinc/50/38/71/432503871.db2.gz ANKLGKARMUNUIP-NEPJUHHUSA-N -1 0 317.410 3.361 50 0 DGAARM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cc(C(=O)[O-])co1 ZINC000262809467 432504113 /nfs/dbraw/zinc/50/41/13/432504113.db2.gz PAMFJRPVOOTGCO-VHSXEESVSA-N -1 0 317.316 3.265 50 0 DGAARM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000262971309 432511505 /nfs/dbraw/zinc/51/15/05/432511505.db2.gz RXFYBQJYDMPILI-GMTAPVOTSA-N -1 0 311.328 3.033 50 0 DGAARM Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000263429691 432543238 /nfs/dbraw/zinc/54/32/38/432543238.db2.gz NAZDMMVRYHVIBX-AWEZNQCLSA-N -1 0 316.382 3.127 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000212265478 432640520 /nfs/dbraw/zinc/64/05/20/432640520.db2.gz RQDOHZDVNCGRRP-LLVKDONJSA-N -1 0 313.756 3.339 50 0 DGAARM O=C([O-])C1(NC(=O)[C@@H](c2ccccc2)C2CCCC2)CCCC1 ZINC000215445840 432642426 /nfs/dbraw/zinc/64/24/26/432642426.db2.gz ZLFVNUCPZWXQJZ-INIZCTEOSA-N -1 0 315.413 3.474 50 0 DGAARM COC(=O)c1cc(-c2ccc(/C=C/C(=O)[O-])o2)ccc1Cl ZINC000216910249 432652873 /nfs/dbraw/zinc/65/28/73/432652873.db2.gz OAJASJCWCLJTEN-QPJJXVBHSA-N -1 0 306.701 3.484 50 0 DGAARM COC(=O)C[C@H](CC(C)C)c1c([O-])c2ccccc2oc1=O ZINC000217715469 432657225 /nfs/dbraw/zinc/65/72/25/432657225.db2.gz NVVMINTWMKUVRS-NSHDSACASA-N -1 0 304.342 3.191 50 0 biogenic DGAARM C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000222176842 432670878 /nfs/dbraw/zinc/67/08/78/432670878.db2.gz VCAFGNQLNIPQIT-FQNOHDAGSA-N -1 0 319.376 3.332 50 0 DGAARM O=C([O-])CC1(NC(=O)CCCc2ccc(F)cc2)CCCCC1 ZINC000223313758 432675909 /nfs/dbraw/zinc/67/59/09/432675909.db2.gz DCWHJRNNHFZFQN-UHFFFAOYSA-N -1 0 321.392 3.442 50 0 DGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccccc2)CC1 ZINC000225444316 432690949 /nfs/dbraw/zinc/69/09/49/432690949.db2.gz BGISSTQZCFSSGN-UHFFFAOYSA-N -1 0 309.365 3.075 50 0 DGAARM O=C([O-])C[C@H](NC(=O)CCc1ccsc1)c1ccc(F)cc1 ZINC000225441733 432691122 /nfs/dbraw/zinc/69/11/22/432691122.db2.gz DDHLYZZPVLKAFI-AWEZNQCLSA-N -1 0 321.373 3.152 50 0 DGAARM CCC(CC)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])on1 ZINC000236713390 432759995 /nfs/dbraw/zinc/75/99/95/432759995.db2.gz JNFGCESFLLPHRP-CYBMUJFWSA-N -1 0 322.405 3.438 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000237949059 432805938 /nfs/dbraw/zinc/80/59/38/432805938.db2.gz AYOWVPOQMXCAHC-ZDUSSCGKSA-N -1 0 323.820 3.376 50 0 DGAARM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)o1 ZINC000238008636 432808234 /nfs/dbraw/zinc/80/82/34/432808234.db2.gz FNVVREUITXZUQW-UHFFFAOYSA-N -1 0 319.744 3.093 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000238100317 432812032 /nfs/dbraw/zinc/81/20/32/432812032.db2.gz XNZWXDOQTVFOPA-NSHDSACASA-N -1 0 319.357 3.101 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000238083966 432812183 /nfs/dbraw/zinc/81/21/83/432812183.db2.gz KUTPMUWJVYWUHC-KRWDZBQOSA-N -1 0 323.392 3.142 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1ncc(-c2ccccc2Cl)o1 ZINC000238103063 432812311 /nfs/dbraw/zinc/81/23/11/432812311.db2.gz USKLIFZETPVSIL-GFCCVEGCSA-N -1 0 306.749 3.044 50 0 DGAARM CN(Cc1ccon1)[C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000095389159 289768872 /nfs/dbraw/zinc/76/88/72/289768872.db2.gz WARVJHCEULFZPW-LBPRGKRZSA-N -1 0 315.156 3.239 50 0 DGAARM COc1ccc(C([O-])=C(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000614878 295099873 /nfs/dbraw/zinc/09/98/73/295099873.db2.gz YEIAKVBPNVDJAR-CYBMUJFWSA-N -1 0 318.394 3.049 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(C)(C)C ZINC000004411698 295201447 /nfs/dbraw/zinc/20/14/47/295201447.db2.gz SCDILYFNMHDGTB-UHFFFAOYSA-N -1 0 320.414 3.189 50 0 DGAARM Cc1ccc2oc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2n1 ZINC000531743367 435115135 /nfs/dbraw/zinc/11/51/35/435115135.db2.gz BJLHRCHNMMOGGJ-UHFFFAOYSA-N -1 0 316.357 3.044 50 0 DGAARM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2[n-]c(=S)sc2c1 ZINC000005061391 304701590 /nfs/dbraw/zinc/70/15/90/304701590.db2.gz RULDCEFLBBDYIR-NXEZZACHSA-N -1 0 318.423 3.265 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)o1 ZINC000095989814 301170889 /nfs/dbraw/zinc/17/08/89/301170889.db2.gz HAJCCHGLGCLWPS-AWEZNQCLSA-N -1 0 301.342 3.151 50 0 DGAARM O=C([O-])C1(C(=O)Nc2cnc3ccccc3c2)CC2(CCC2)C1 ZINC000659147747 436468257 /nfs/dbraw/zinc/46/82/57/436468257.db2.gz VLZCEHFDKIRTDL-UHFFFAOYSA-N -1 0 310.353 3.208 50 0 DGAARM Cc1cccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659196694 436475741 /nfs/dbraw/zinc/47/57/41/436475741.db2.gz XJALIQDLYMJLEK-IKGGRYGDSA-N -1 0 315.413 3.029 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000195551082 302309866 /nfs/dbraw/zinc/30/98/66/302309866.db2.gz RDJYOJKWORSUMG-HZSPNIEDSA-N -1 0 315.394 3.102 50 0 DGAARM O=c1c2c([n-]c(=S)n1C[C@@H]1CCCO1)sc1c2CCCC1 ZINC000006279545 304815746 /nfs/dbraw/zinc/81/57/46/304815746.db2.gz BQTGCYKYZJCORG-VIFPVBQESA-N -1 0 322.455 3.178 50 0 DGAARM O=c1c2c(nc3[n-]ncn31)-c1ccccc1CC21CCCCC1 ZINC000018324257 304844523 /nfs/dbraw/zinc/84/45/23/304844523.db2.gz DCJNDBCNLNUVIK-UHFFFAOYSA-N -1 0 306.369 3.255 50 0 DGAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1cccc(F)c1 ZINC000097235888 323210382 /nfs/dbraw/zinc/21/03/82/323210382.db2.gz QVFUYMYGJJVFCE-UHFFFAOYSA-N -1 0 320.267 3.040 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])on1 ZINC000299751119 529272089 /nfs/dbraw/zinc/27/20/89/529272089.db2.gz POWRSBHWLJMRTH-VTPLQMEGSA-N -1 0 320.389 3.046 50 0 DGAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCO[C@H]2CCC[C@H]21 ZINC000073768528 545716674 /nfs/dbraw/zinc/71/66/74/545716674.db2.gz RIUAYJHJTFINDY-OLZOCXBDSA-N -1 0 318.398 3.274 50 0 DGAARM Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2s1 ZINC000084290359 545786206 /nfs/dbraw/zinc/78/62/06/545786206.db2.gz VNUABFSYDNOHCU-NEPJUHHUSA-N -1 0 318.398 3.434 50 0 DGAARM O=C([O-])COc1ccc(NC(=O)[C@H]2CC23CC3)c2ccccc12 ZINC000263145569 546341254 /nfs/dbraw/zinc/34/12/54/546341254.db2.gz HCGIPAPQOMTLJI-CYBMUJFWSA-N -1 0 311.337 3.042 50 0 DGAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262940911 546341432 /nfs/dbraw/zinc/34/14/32/546341432.db2.gz LJCKRBIMCDBWNZ-RISCZKNCSA-N -1 0 322.405 3.031 50 0 DGAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000170043838 563902870 /nfs/dbraw/zinc/90/28/70/563902870.db2.gz AACKMQZTNGJCKZ-ZWNOBZJWSA-N -1 0 321.373 3.323 50 0 DGAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037584994 600560005 /nfs/dbraw/zinc/56/00/05/600560005.db2.gz BNTDZXAZZXWCJO-UHFFFAOYSA-N -1 0 303.280 3.031 50 0 DGAARM CCO[C@H](c1noc(-c2cc(OC)c(O)c(OC)c2)n1)C(C)C ZINC000864096787 621736179 /nfs/dbraw/zinc/73/61/79/621736179.db2.gz HIJFJPUIHNMDHA-AWEZNQCLSA-N -1 0 322.361 3.193 50 0 DGAARM CNc1nc(/C=C/c2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000004031017 656106779 /nfs/dbraw/zinc/10/67/79/656106779.db2.gz PXFPTYCPDLGSNP-VAWYXSNFSA-N -1 0 304.353 3.456 50 0 DGAARM Nc1ccccc1-c1nc(=O)c(/C=C/C=C\c2ccccc2)n[n-]1 ZINC000096129984 657508350 /nfs/dbraw/zinc/50/83/50/657508350.db2.gz QQJUCIZYKRNYEG-ZIDUXJNWSA-N -1 0 316.364 3.141 50 0 DGAARM COc1ccc(-c2cc(=NCC(=O)[O-])c3cc(C)ccc3o2)cc1 ZINC000254819839 658194734 /nfs/dbraw/zinc/19/47/34/658194734.db2.gz SKRFIOBMULIEEI-UHFFFAOYSA-N -1 0 323.348 3.402 50 0 DGAARM CCCCCn1c2ccccc2c([O-])c(C(=O)OCC)c1=O ZINC000013129974 1176758895 /nfs/dbraw/zinc/75/88/95/1176758895.db2.gz GOQIUHNSVVFGOP-UHFFFAOYSA-N -1 0 303.358 3.074 50 0 DGAARM CCn1c(N[C@@H](C)C2=CCCCC2)nc2cc(C(=O)[O-])cnc21 ZINC001506405250 1186223144 /nfs/dbraw/zinc/22/31/44/1186223144.db2.gz JEZRKGXCJDMKDV-NSHDSACASA-N -1 0 314.389 3.450 50 0 DGAARM Cc1c2ccc(C)cc2oc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000095528358 185378328 /nfs/dbraw/zinc/37/83/28/185378328.db2.gz ZCNISOOWSSRDJQ-UHFFFAOYSA-N -1 0 301.342 3.177 50 0 DGAARM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccccc2F)n[nH]1 ZINC000079106556 185158855 /nfs/dbraw/zinc/15/88/55/185158855.db2.gz DJXNLGKEYXMAIN-JTQLQIEISA-N -1 0 311.382 3.253 50 0 DGAARM Cc1n[nH]c(C)c1CCCn1ccnc1-c1ccccc1C(=O)[O-] ZINC000082126757 192359052 /nfs/dbraw/zinc/35/90/52/192359052.db2.gz SYHYTOMXPMUKOK-UHFFFAOYSA-N -1 0 324.384 3.221 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000097017627 185397694 /nfs/dbraw/zinc/39/76/94/185397694.db2.gz PTLXUSOYQHDDKB-UHFFFAOYSA-N -1 0 308.337 3.437 50 0 DGAARM Cc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000097018277 185397697 /nfs/dbraw/zinc/39/76/97/185397697.db2.gz HIUGRFSOYAYGNS-WCQYABFASA-N -1 0 303.383 3.248 50 0 DGAARM CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000097018315 185397714 /nfs/dbraw/zinc/39/77/14/185397714.db2.gz IQWZGEXXVZOOIF-IAQYHMDHSA-N -1 0 301.342 3.034 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000097018939 185398073 /nfs/dbraw/zinc/39/80/73/185398073.db2.gz XQCVRKYNADWWFH-UHFFFAOYSA-N -1 0 301.317 3.024 50 0 DGAARM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3cccs3)c2C1 ZINC000097048789 185403275 /nfs/dbraw/zinc/40/32/75/185403275.db2.gz WJOZRTLQNUDLAB-UHFFFAOYSA-N -1 0 322.455 3.273 50 0 DGAARM CCCC(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064588727 432009588 /nfs/dbraw/zinc/00/95/88/432009588.db2.gz PACGGYMNBRJWES-LBPRGKRZSA-N -1 0 304.390 3.360 50 0 DGAARM O=C([O-])c1ccc(C(=O)NCCc2cc3ccccc3o2)cc1 ZINC000170044265 197765358 /nfs/dbraw/zinc/76/53/58/197765358.db2.gz VBGDMWDQMBOIGR-UHFFFAOYSA-N -1 0 309.321 3.104 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccc(F)c2)[C@@H]1C(=O)[O-] ZINC000072233732 191079155 /nfs/dbraw/zinc/07/91/55/191079155.db2.gz ZIKWSBOIRBANGX-GXTWGEPZSA-N -1 0 323.364 3.078 50 0 DGAARM O=C([O-])c1ccc(CSc2nnnn2C2CCCCC2)cc1 ZINC000000033468 180672602 /nfs/dbraw/zinc/67/26/02/180672602.db2.gz WKNFZWHJUZCMBP-UHFFFAOYSA-N -1 0 318.402 3.169 50 0 DGAARM CC(C)(C)OC(=O)NC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002243549 180916416 /nfs/dbraw/zinc/91/64/16/180916416.db2.gz DJJSHFXWIZOOFF-NSHDSACASA-N -1 0 313.781 3.108 50 0 DGAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC000002583066 180937825 /nfs/dbraw/zinc/93/78/25/180937825.db2.gz QTGJLLUGEPDNFX-RYUDHWBXSA-N -1 0 309.387 3.122 50 0 DGAARM O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c[n-]n21 ZINC000002827326 180961679 /nfs/dbraw/zinc/96/16/79/180961679.db2.gz VDAGUQOFIKGRSX-UHFFFAOYSA-N -1 0 301.349 3.280 50 0 DGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000003581311 181037370 /nfs/dbraw/zinc/03/73/70/181037370.db2.gz XSVDFHPQINKVJJ-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1 ZINC000003884495 181052109 /nfs/dbraw/zinc/05/21/09/181052109.db2.gz WBZAYRKYQNSAIP-MRXNPFEDSA-N -1 0 313.353 3.437 50 0 DGAARM Cc1ccc(C)c([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000004040469 181066236 /nfs/dbraw/zinc/06/62/36/181066236.db2.gz GINHWNMIJHCFEI-ZWKOTPCHSA-N -1 0 320.392 3.473 50 0 biogenic DGAARM Cc1ccc(C)c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])c1 ZINC000003957445 181059755 /nfs/dbraw/zinc/05/97/55/181059755.db2.gz AKLSDINPRZDWAG-STQMWFEESA-N -1 0 307.777 3.475 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000004073067 181069811 /nfs/dbraw/zinc/06/98/11/181069811.db2.gz GCMABDJIXXRLPM-NSHDSACASA-N -1 0 301.289 3.005 50 0 DGAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C2CCCCC2)cc1 ZINC000004197237 181084417 /nfs/dbraw/zinc/08/44/17/181084417.db2.gz UNUGZVUJEWGPEL-NVXWUHKLSA-N -1 0 317.385 3.002 50 0 DGAARM O=c1[n-]c(Nc2cccc(F)c2)nnc1Cc1ccc(F)cc1 ZINC000004317186 181097521 /nfs/dbraw/zinc/09/75/21/181097521.db2.gz BEMFHBBHBGNTKY-UHFFFAOYSA-N -1 0 314.295 3.190 50 0 DGAARM C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC000004614628 181129825 /nfs/dbraw/zinc/12/98/25/181129825.db2.gz BRLOPWYLXBHZKT-KYFQHEKYSA-N -1 0 307.434 3.064 50 0 DGAARM CCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004724322 181142143 /nfs/dbraw/zinc/14/21/43/181142143.db2.gz ZGARMGZKPDRTSV-UHFFFAOYSA-N -1 0 300.310 3.175 50 0 DGAARM CC(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000004827482 181157815 /nfs/dbraw/zinc/15/78/15/181157815.db2.gz HOYYHLVRWZPCNX-SNVBAGLBSA-N -1 0 305.161 3.224 50 0 DGAARM Cc1ccc(SCC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1 ZINC000004826871 181157932 /nfs/dbraw/zinc/15/79/32/181157932.db2.gz SMEUBTDGMVRJJB-UHFFFAOYSA-N -1 0 317.366 3.130 50 0 DGAARM O=C([O-])CC1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000000310504 304044024 /nfs/dbraw/zinc/04/40/24/304044024.db2.gz CPQWYQYYKHMQNJ-MRXNPFEDSA-N -1 0 309.321 3.061 50 0 aggregator DGAARM Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000005059832 181198729 /nfs/dbraw/zinc/19/87/29/181198729.db2.gz QMYLREZRVJEBSP-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM CC(=O)C[C@H](c1ccc(O)cc1)c1c([O-])c2ccccc2oc1=O ZINC000005159745 181211685 /nfs/dbraw/zinc/21/16/85/181211685.db2.gz RRZWAMPDGRWRPF-OAHLLOKOSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM Cn1cc(Cl)c(-c2n[n-]c(=S)n2-c2ccc(F)cc2)n1 ZINC000005534212 181254719 /nfs/dbraw/zinc/25/47/19/181254719.db2.gz DRFSWJGUMKFEGL-UHFFFAOYSA-N -1 0 309.757 3.123 50 0 DGAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](C)c3nccs3)c12 ZINC000080307106 192023333 /nfs/dbraw/zinc/02/33/33/192023333.db2.gz XYWDHMKGXNMNEV-ZETCQYMHSA-N -1 0 320.399 3.328 50 0 DGAARM CCCCCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000005859801 181290597 /nfs/dbraw/zinc/29/05/97/181290597.db2.gz BPTCJRCZHYMRFL-UHFFFAOYSA-N -1 0 308.403 3.087 50 0 DGAARM C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)[O-] ZINC000005881221 181292265 /nfs/dbraw/zinc/29/22/65/181292265.db2.gz ORHGLKNUJMIPHV-ZCFIWIBFSA-N -1 0 318.276 3.321 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000057638425 304073625 /nfs/dbraw/zinc/07/36/25/304073625.db2.gz IINPZSXZOOABHC-CQSZACIVSA-N -1 0 307.365 3.177 50 0 DGAARM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccs2)C1 ZINC000180322361 199145547 /nfs/dbraw/zinc/14/55/47/199145547.db2.gz UGVUCVIFDKHPJD-UONOGXRCSA-N -1 0 315.394 3.079 50 0 DGAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1nncn1-c1ccccc1 ZINC000005925632 181296675 /nfs/dbraw/zinc/29/66/75/181296675.db2.gz RKOFZSAIAPVLCJ-UHFFFAOYSA-N -1 0 319.320 3.055 50 0 DGAARM Cc1ccc(-c2ccsc2C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237675543 202324462 /nfs/dbraw/zinc/32/44/62/202324462.db2.gz TYRBFZNFINMOHN-ZDUSSCGKSA-N -1 0 315.394 3.270 50 0 DGAARM Cc1ccc(CCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000237691599 202330748 /nfs/dbraw/zinc/33/07/48/202330748.db2.gz PXVLQGKKGJLYOT-KRWDZBQOSA-N -1 0 317.429 3.421 50 0 DGAARM CCCOc1c(Br)cc(/C=C/C(=O)[O-])cc1OC ZINC000005952095 181300073 /nfs/dbraw/zinc/30/00/73/181300073.db2.gz ZEWFCPCSLWGVHA-SNAWJCMRSA-N -1 0 315.163 3.344 50 0 DGAARM COc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000006184443 181317924 /nfs/dbraw/zinc/31/79/24/181317924.db2.gz GFKJIJQOMBJGHU-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000006348553 181333392 /nfs/dbraw/zinc/33/33/92/181333392.db2.gz FMYBDSWGNKWAQG-UHFFFAOYSA-N -1 0 323.317 3.448 50 0 DGAARM COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C)c1 ZINC000006698833 181371954 /nfs/dbraw/zinc/37/19/54/181371954.db2.gz KXMGBHCNYGYCMZ-DCNYZXSGSA-N -1 0 317.385 3.079 50 0 DGAARM O=C([O-])CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000006746687 181381611 /nfs/dbraw/zinc/38/16/11/181381611.db2.gz CGHQICSUKFHVDP-UHFFFAOYSA-N -1 0 305.142 3.220 50 0 DGAARM Cc1cc(N[C@@H](C)c2ccncn2)nc(-c2ccccc2[O-])n1 ZINC000091364952 193046215 /nfs/dbraw/zinc/04/62/15/193046215.db2.gz KYHDEDPGAKWTNQ-LBPRGKRZSA-N -1 0 307.357 3.121 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2cc[nH]c2c1 ZINC000261757465 203110467 /nfs/dbraw/zinc/11/04/67/203110467.db2.gz PNWSKQJSNJSDCH-MAZHCROVSA-N -1 0 312.369 3.026 50 0 DGAARM CCCc1ncc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)s1 ZINC000262971198 203422746 /nfs/dbraw/zinc/42/27/46/203422746.db2.gz OSDBQYALDBUPAN-UHFFFAOYSA-N -1 0 320.370 3.055 50 0 DGAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc2sccc2c1 ZINC000263300362 304157274 /nfs/dbraw/zinc/15/72/74/304157274.db2.gz DCYJMUKHTFZWLV-NFAWXSAZSA-N -1 0 315.394 3.227 50 0 DGAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1ccccc1 ZINC000008391614 181553445 /nfs/dbraw/zinc/55/34/45/181553445.db2.gz OLQOWPWWBBZJSS-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM O=C([O-])C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000008576367 181566089 /nfs/dbraw/zinc/56/60/89/181566089.db2.gz XGGQWFQIIGRYCS-CYBMUJFWSA-N -1 0 301.317 3.098 50 0 DGAARM Cc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2o1 ZINC000012536098 181772591 /nfs/dbraw/zinc/77/25/91/181772591.db2.gz YCDYNXPGFQIOQP-UHFFFAOYSA-N -1 0 324.308 3.215 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000013256795 181839827 /nfs/dbraw/zinc/83/98/27/181839827.db2.gz ZIJGECADEICSFF-LBPRGKRZSA-N -1 0 309.774 3.347 50 0 DGAARM CCCOc1cc(Br)c(/C=C/C(=O)[O-])cc1OC ZINC000013747526 181889784 /nfs/dbraw/zinc/88/97/84/181889784.db2.gz MJIVUSPMVOIUPC-SNAWJCMRSA-N -1 0 315.163 3.344 50 0 DGAARM Cc1csc([C@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])cc2)n1 ZINC000492120392 245636068 /nfs/dbraw/zinc/63/60/68/245636068.db2.gz SXXLZBKRMXNPOB-OFSNVTPPSA-N -1 0 316.382 3.040 50 0 DGAARM CCOc1ccccc1Nc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000016777340 182060034 /nfs/dbraw/zinc/06/00/34/182060034.db2.gz FXKGWAPWPXSFEL-UHFFFAOYSA-N -1 0 322.368 3.310 50 0 DGAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000017031205 182069181 /nfs/dbraw/zinc/06/91/81/182069181.db2.gz LILFFRZYPAMDRI-LLVKDONJSA-N -1 0 305.403 3.099 50 0 DGAARM CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000021518785 182277661 /nfs/dbraw/zinc/27/76/61/182277661.db2.gz KAMDNDFPGLSOLU-UHFFFAOYSA-N -1 0 304.733 3.256 50 0 DGAARM O=C([O-])c1ccc(SCC(=O)Nc2ccccc2Cl)nc1 ZINC000021523161 182278689 /nfs/dbraw/zinc/27/86/89/182278689.db2.gz PDDLCQFDHFYQJN-UHFFFAOYSA-N -1 0 322.773 3.164 50 0 DGAARM C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000032544662 296213961 /nfs/dbraw/zinc/21/39/61/296213961.db2.gz QYXXTFPNBVPVMX-ZCFIWIBFSA-N -1 0 302.277 3.214 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000136167224 432147690 /nfs/dbraw/zinc/14/76/90/432147690.db2.gz JIAVILFOXVJRFQ-JCYILVPMSA-N -1 0 315.413 3.284 50 0 DGAARM CO[N-]C(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000040017414 183027901 /nfs/dbraw/zinc/02/79/01/183027901.db2.gz WLEBQHPPBCUMOG-LLVKDONJSA-N -1 0 324.730 3.473 50 0 DGAARM Cc1nc(Nc2nc3ccccc3[nH]2)nc(-c2ccccc2[O-])n1 ZINC000040488321 183078254 /nfs/dbraw/zinc/07/82/54/183078254.db2.gz XHRGIRCGLSMHEM-UHFFFAOYSA-N -1 0 318.340 3.173 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000050921537 183807853 /nfs/dbraw/zinc/80/78/53/183807853.db2.gz USOWJBFTWZDYKB-QMMMGPOBSA-N -1 0 319.188 3.181 50 0 DGAARM Cc1ccc(C[C@@H](CCNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000052507707 183862747 /nfs/dbraw/zinc/86/27/47/183862747.db2.gz MIESPZMBLDUNIP-CQSZACIVSA-N -1 0 307.390 3.153 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2cc(C3CC3)on2)cc1Cl ZINC000058627155 184125599 /nfs/dbraw/zinc/12/55/99/184125599.db2.gz WTDMFRNASKYAGH-UHFFFAOYSA-N -1 0 306.705 3.156 50 0 DGAARM C[C@@H](CCc1ccc(I)cc1)CC(=O)[O-] ZINC000061829293 184188940 /nfs/dbraw/zinc/18/89/40/184188940.db2.gz WBZDAODJVGVYLV-VIFPVBQESA-N -1 0 318.154 3.335 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000062913822 184259878 /nfs/dbraw/zinc/25/98/78/184259878.db2.gz KONYGFNCLVSTIK-CYBMUJFWSA-N -1 0 320.147 3.069 50 0 DGAARM CCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820611 184304024 /nfs/dbraw/zinc/30/40/24/184304024.db2.gz PPYSMLOJRBSDSZ-UHFFFAOYSA-N -1 0 312.369 3.483 50 0 DGAARM O=S(=O)([N-]c1cc(-c2ccoc2)no1)c1cccc(Cl)c1 ZINC000065153472 184312840 /nfs/dbraw/zinc/31/28/40/184312840.db2.gz FTKFTXSSYGDAAO-UHFFFAOYSA-N -1 0 324.745 3.389 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)o1 ZINC000097231570 304233482 /nfs/dbraw/zinc/23/34/82/304233482.db2.gz WEUYVFQLPPKOSO-NSHDSACASA-N -1 0 303.314 3.328 50 0 DGAARM CC(C)c1cc([C@H]2CCCN2Cc2ncccc2C(=O)[O-])no1 ZINC000065501125 184355734 /nfs/dbraw/zinc/35/57/34/184355734.db2.gz NZSYJZCHDBKOCF-OAHLLOKOSA-N -1 0 315.373 3.228 50 0 DGAARM O=C([O-])c1cccc(N2C(=O)c3cccc4cccc(c43)C2=O)c1 ZINC000000187478 304261069 /nfs/dbraw/zinc/26/10/69/304261069.db2.gz YGIZOHPUZJDOSJ-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000032544663 299580316 /nfs/dbraw/zinc/58/03/16/299580316.db2.gz QYXXTFPNBVPVMX-LURJTMIESA-N -1 0 302.277 3.214 50 0 DGAARM O=C([O-])c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000240965 304263281 /nfs/dbraw/zinc/26/32/81/304263281.db2.gz KILWKQVPUDIIBA-UHFFFAOYSA-N -1 0 320.142 3.400 50 0 DGAARM O=c1c2c([nH]c3n[n-]c(=S)n31)-c1ccccc1CC21CCCC1 ZINC000008914219 285208088 /nfs/dbraw/zinc/20/80/88/285208088.db2.gz ABYJWFGJPGSJCN-UHFFFAOYSA-N -1 0 324.409 3.115 50 0 DGAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000066091692 304285326 /nfs/dbraw/zinc/28/53/26/304285326.db2.gz BTRAQLXTTBNMCM-ZETCQYMHSA-N -1 0 310.281 3.243 50 0 DGAARM CCc1ccc(N2NC(=O)/C(=C/c3ccc(C)s3)C2=O)cc1 ZINC000005902873 400089960 /nfs/dbraw/zinc/08/99/60/400089960.db2.gz ZSMCTRVWHOKYHC-GDNBJRDFSA-N -1 0 312.394 3.080 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000022112741 400198308 /nfs/dbraw/zinc/19/83/08/400198308.db2.gz FGKFRJIBXJOTLF-SNVBAGLBSA-N -1 0 303.717 3.130 50 0 DGAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000032971380 400376895 /nfs/dbraw/zinc/37/68/95/400376895.db2.gz AOWLVICVMFWWDQ-UHFFFAOYSA-N -1 0 304.327 3.044 50 0 DGAARM O=c1nc(-c2cc(Oc3ccccc3C(F)(F)F)ccn2)[n-]o1 ZINC000117576650 400419613 /nfs/dbraw/zinc/41/96/13/400419613.db2.gz FJMOJNDXACXKMX-UHFFFAOYSA-N -1 0 323.230 3.236 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000145955631 400647424 /nfs/dbraw/zinc/64/74/24/400647424.db2.gz KPNXJVGYPYRCHY-OAHLLOKOSA-N -1 0 317.772 3.215 50 0 DGAARM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CC1 ZINC000170592051 400763366 /nfs/dbraw/zinc/76/33/66/400763366.db2.gz TYGLXPGRLKKELB-FLIBITNWSA-N -1 0 303.358 3.467 50 0 DGAARM CCCc1onc(C)c1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000170592061 400763828 /nfs/dbraw/zinc/76/38/28/400763828.db2.gz RWKHZQWKRAWZDQ-JXMROGBWSA-N -1 0 314.341 3.286 50 0 DGAARM CCn1nc(C)c(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c1C ZINC000606443810 400912917 /nfs/dbraw/zinc/91/29/17/400912917.db2.gz JTHBEGSLUQHAKY-HSHIGALWSA-N -1 0 303.387 3.245 50 0 DGAARM Cc1ccc2cc(C(=O)NCCCCCC(=O)[O-])c(C)nc2c1 ZINC000195541925 400923964 /nfs/dbraw/zinc/92/39/64/400923964.db2.gz OOGRMBCGAZMGBD-UHFFFAOYSA-N -1 0 314.385 3.226 50 0 DGAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000630155515 401203551 /nfs/dbraw/zinc/20/35/51/401203551.db2.gz ARPAKBGIOPDTDM-MELADBBJSA-N -1 0 321.442 3.201 50 0 DGAARM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1C ZINC000630284872 401232456 /nfs/dbraw/zinc/23/24/56/401232456.db2.gz YJZSBQWKJPSUQL-RWMBFGLXSA-N -1 0 321.442 3.334 50 0 DGAARM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1C ZINC000630284869 401232709 /nfs/dbraw/zinc/23/27/09/401232709.db2.gz YJZSBQWKJPSUQL-AGIUHOORSA-N -1 0 321.442 3.334 50 0 DGAARM CCc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000263025941 165829484 /nfs/dbraw/zinc/82/94/84/165829484.db2.gz JXQOQCASFYNATD-UHFFFAOYSA-N -1 0 310.781 3.231 50 0 DGAARM Cc1c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cccc1-c1ccccn1 ZINC000263227037 165845649 /nfs/dbraw/zinc/84/56/49/165845649.db2.gz AVVDAEZCBRNANX-ZDUSSCGKSA-N -1 0 324.380 3.135 50 0 DGAARM Cc1cccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1 ZINC000000408715 292578991 /nfs/dbraw/zinc/57/89/91/292578991.db2.gz FBVMEXKJRKVQRJ-SJORKVTESA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3cccc(C)n3)c12 ZINC000299802719 229464026 /nfs/dbraw/zinc/46/40/26/229464026.db2.gz NTDJPTGTUBMGFD-UHFFFAOYSA-N -1 0 314.370 3.013 50 0 DGAARM Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000065626075 424840779 /nfs/dbraw/zinc/84/07/79/424840779.db2.gz GYTBETGSZSALGF-UHFFFAOYSA-N -1 0 306.771 3.045 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(CCc1ccccc1)C(=O)[O-] ZINC000004241019 278392378 /nfs/dbraw/zinc/39/23/78/278392378.db2.gz URLLHYVBNNPLET-GOSISDBHSA-N -1 0 319.401 3.474 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000002577349 278394524 /nfs/dbraw/zinc/39/45/24/278394524.db2.gz OWIOBHQKBBEWRW-AWEZNQCLSA-N -1 0 305.374 3.499 50 0 DGAARM CC(C)(C)c1cc(I)cc(C(=O)[O-])c1 ZINC000042689519 278557963 /nfs/dbraw/zinc/55/79/63/278557963.db2.gz MKMRQBVKCBAPSH-UHFFFAOYSA-N -1 0 304.127 3.287 50 0 DGAARM COc1ccc(-c2c(C)c3ccc([O-])cc3oc2=O)cc1OC ZINC000000057795 431116318 /nfs/dbraw/zinc/11/63/18/431116318.db2.gz AQGVQGLSKSEDGI-UHFFFAOYSA-N -1 0 312.321 3.491 50 0 biogenic DGAARM COC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000000053360 431117583 /nfs/dbraw/zinc/11/75/83/431117583.db2.gz TWVUUWMGOMIING-RYTJFDOTSA-N -1 0 310.349 3.058 50 0 DGAARM Cc1nn(C)c2ncc(C(=O)[O-])c(Sc3ccc(C)cc3)c12 ZINC000000145963 431133542 /nfs/dbraw/zinc/13/35/42/431133542.db2.gz SDNAZWGVXJEGRB-UHFFFAOYSA-N -1 0 313.382 3.435 50 0 DGAARM Cc1cc(=O)oc2cc(NC(=O)c3ccccc3C(=O)[O-])ccc12 ZINC000000153909 431136352 /nfs/dbraw/zinc/13/63/52/431136352.db2.gz JNTKEAMBUQPWJO-UHFFFAOYSA-N -1 0 323.304 3.052 50 0 DGAARM C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)NCc1ccccc1 ZINC000000314306 431165627 /nfs/dbraw/zinc/16/56/27/431165627.db2.gz PHTGBGXBBKUBGF-PBHICJAKSA-N -1 0 311.381 3.197 50 0 DGAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000332428 431168841 /nfs/dbraw/zinc/16/88/41/431168841.db2.gz RAFQPVZBCDVMBY-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000000381920 431172617 /nfs/dbraw/zinc/17/26/17/431172617.db2.gz XBKGCGGFBWQOLS-UHFFFAOYSA-N -1 0 305.399 3.367 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000000402085 431176461 /nfs/dbraw/zinc/17/64/61/431176461.db2.gz VHZZJLSPECJSKI-RYUDHWBXSA-N -1 0 324.174 3.055 50 0 DGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000000571001 431201619 /nfs/dbraw/zinc/20/16/19/431201619.db2.gz ZLBCJDLMRCGEJS-UHFFFAOYSA-N -1 0 321.398 3.203 50 0 DGAARM O=C([N-]C(=O)C(F)(F)F)NC(c1ccccc1)c1ccccc1 ZINC000000509884 431193025 /nfs/dbraw/zinc/19/30/25/431193025.db2.gz ONTLIIPHMCJTBJ-UHFFFAOYSA-N -1 0 322.286 3.164 50 0 DGAARM O=C([O-])CCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000292595 431160232 /nfs/dbraw/zinc/16/02/32/431160232.db2.gz IRRYAOSWTIGJPW-UHFFFAOYSA-N -1 0 309.325 3.033 50 0 DGAARM O=C1NC(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)S1 ZINC000001178237 431215414 /nfs/dbraw/zinc/21/54/14/431215414.db2.gz AFPLAKPMQNRAGD-XYOKQWHBSA-N -1 0 304.758 3.455 50 0 DGAARM Cc1ccc2nc([N-]c3ncc4c(n3)CCCC4=O)nc(C)c2c1 ZINC000001271886 431215759 /nfs/dbraw/zinc/21/57/59/431215759.db2.gz OCWNRGGAYHHHSI-UHFFFAOYSA-N -1 0 319.368 3.299 50 0 DGAARM O=C1c2ccccc2C(=O)N1c1ccc2[n-]c(=S)sc2c1 ZINC000001293668 431219889 /nfs/dbraw/zinc/21/98/89/431219889.db2.gz GWEUDYITDJCBMN-UHFFFAOYSA-N -1 0 312.375 3.386 50 0 DGAARM Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCCCC(=O)[O-] ZINC000002066746 431245816 /nfs/dbraw/zinc/24/58/16/431245816.db2.gz HKFBPSOEOJDPPJ-UHFFFAOYSA-N -1 0 314.385 3.172 50 0 DGAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000002511646 431255270 /nfs/dbraw/zinc/25/52/70/431255270.db2.gz NNEZAROGWHIRJI-GFCCVEGCSA-N -1 0 311.403 3.449 50 0 DGAARM Cc1cc([O-])c(-c2ccnc3c(-c4ccccc4)cnn32)c(=O)o1 ZINC000071284980 431276435 /nfs/dbraw/zinc/27/64/35/431276435.db2.gz OQXOEZOQRKQEJZ-UHFFFAOYSA-N -1 0 319.320 3.031 50 0 DGAARM COCCCn1c(=S)[nH]nc1C12CC3CC(CC(C3)C1)C2 ZINC000004623169 431299309 /nfs/dbraw/zinc/29/93/09/431299309.db2.gz WKGUHNJLXVEOCO-UHFFFAOYSA-N -1 0 307.463 3.445 50 0 DGAARM O=C([O-])c1cccnc1SCC(=O)c1ccccc1Cl ZINC000007002285 431327977 /nfs/dbraw/zinc/32/79/77/431327977.db2.gz AAUFDGGKGLLCTP-UHFFFAOYSA-N -1 0 307.758 3.408 50 0 DGAARM Cc1ccc2[nH]c(-c3ccccc3NC(=O)CCC(=O)[O-])nc2c1 ZINC000008845126 431413716 /nfs/dbraw/zinc/41/37/16/431413716.db2.gz JLASSTPCLOHLSC-UHFFFAOYSA-N -1 0 323.352 3.342 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000009061861 431421547 /nfs/dbraw/zinc/42/15/47/431421547.db2.gz MONLSOIOWPNFIO-UHFFFAOYSA-N -1 0 304.415 3.425 50 0 DGAARM O=c1[n-]c(Nc2ccccc2)nnc1Cc1ccccc1Cl ZINC000008553738 431402835 /nfs/dbraw/zinc/40/28/35/431402835.db2.gz HUOQFXZOCQJRQF-UHFFFAOYSA-N -1 0 312.760 3.153 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)OCc1ccccc1 ZINC000008698457 431406361 /nfs/dbraw/zinc/40/63/61/431406361.db2.gz ACQYZSFXPXXIHL-INIZCTEOSA-N -1 0 311.337 3.007 50 0 DGAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])OC(C)(C)CC3 ZINC000008765466 431411227 /nfs/dbraw/zinc/41/12/27/431411227.db2.gz MMDLQMJKZVOBMC-UHFFFAOYSA-N -1 0 316.353 3.222 50 0 biogenic DGAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccccc1Cl ZINC000009691530 431444697 /nfs/dbraw/zinc/44/46/97/431444697.db2.gz KKSDQQXBAIPEGR-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM CCC(CC)(CC(=O)Nc1ccc2oc(C)nc2c1)C(=O)[O-] ZINC000010170826 431457234 /nfs/dbraw/zinc/45/72/34/431457234.db2.gz FKGYCEBOCKYEND-UHFFFAOYSA-N -1 0 304.346 3.356 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000012648860 431523488 /nfs/dbraw/zinc/52/34/88/431523488.db2.gz NVMKZXKHKQKKFE-SNVBAGLBSA-N -1 0 319.279 3.356 50 0 DGAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccccc3)c(C)o2)n[nH]1 ZINC000075519212 431482849 /nfs/dbraw/zinc/48/28/49/431482849.db2.gz CRZLBGFDIVOMMP-UHFFFAOYSA-N -1 0 317.370 3.087 50 0 DGAARM COc1ccc(C2(c3nc(CC(=O)[O-])cs3)CCC2)cc1 ZINC000011833478 431483871 /nfs/dbraw/zinc/48/38/71/431483871.db2.gz AZQABRSTEMOHKY-UHFFFAOYSA-N -1 0 303.383 3.249 50 0 DGAARM CSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000012062466 431490509 /nfs/dbraw/zinc/49/05/09/431490509.db2.gz SDHIHCLSULRMGW-UHFFFAOYSA-N -1 0 318.383 3.167 50 0 DGAARM O=C([O-])c1ccccc1C(=O)c1ccc(Br)s1 ZINC000012959105 431536874 /nfs/dbraw/zinc/53/68/74/431536874.db2.gz HFCZZSSOPUJNQH-UHFFFAOYSA-N -1 0 311.156 3.440 50 0 DGAARM O=C(c1ccccc1Cl)c1c(=O)oc2ccccc2c1[O-] ZINC000013146937 431550473 /nfs/dbraw/zinc/55/04/73/431550473.db2.gz LHRDLQSIOSZKOW-UHFFFAOYSA-N -1 0 300.697 3.383 50 0 DGAARM CCOc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013389109 431553930 /nfs/dbraw/zinc/55/39/30/431553930.db2.gz KUOYLONFHZHIMU-LBPRGKRZSA-N -1 0 319.382 3.093 50 0 DGAARM O=C([O-])C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 ZINC000013389098 431553940 /nfs/dbraw/zinc/55/39/40/431553940.db2.gz UVNAMUYFEJDQFE-LBPRGKRZSA-N -1 0 323.801 3.276 50 0 DGAARM CC(C)[C@@H]1Nc2ccccc2C(=O)N1CCCCCC(=O)[O-] ZINC000062716003 280072071 /nfs/dbraw/zinc/07/20/71/280072071.db2.gz PBNYDSGNTDNCIB-MRXNPFEDSA-N -1 0 304.390 3.181 50 0 DGAARM CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000014018326 431576279 /nfs/dbraw/zinc/57/62/79/431576279.db2.gz IGVIDJUKOMVGJV-UHFFFAOYSA-N -1 0 319.817 3.270 50 0 DGAARM O=C([O-])c1ccc([C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000077438561 431595376 /nfs/dbraw/zinc/59/53/76/431595376.db2.gz YMNHVACEMUFBDT-ZDUSSCGKSA-N -1 0 302.761 3.427 50 0 DGAARM S=c1[n-]nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 ZINC000015222255 431603710 /nfs/dbraw/zinc/60/37/10/431603710.db2.gz TVKKPDDUKJTKTE-UHFFFAOYSA-N -1 0 305.366 3.142 50 0 DGAARM CC(C)c1c(Br)c(C(=O)[O-])nn1-c1ccccc1 ZINC000059326414 280565154 /nfs/dbraw/zinc/56/51/54/280565154.db2.gz BUSPMTBWUZKTGV-UHFFFAOYSA-N -1 0 309.163 3.456 50 0 DGAARM CC(C)c1ccc(S(=O)(=O)Cc2ccoc2C(=O)[O-])cc1 ZINC000036926478 431842984 /nfs/dbraw/zinc/84/29/84/431842984.db2.gz PIGWWANWXJCAGN-UHFFFAOYSA-N -1 0 308.355 3.075 50 0 DGAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccc(O)cc2oc1=O ZINC000084375263 431823566 /nfs/dbraw/zinc/82/35/66/431823566.db2.gz SKFYEJMLNMTTJA-HNNXBMFYSA-N -1 0 324.332 3.315 50 0 in-vitro DGAARM C[C@@H](c1ccccc1)[C@H](CC(=O)NC1CCCCC1)C(=O)[O-] ZINC000035142227 431825973 /nfs/dbraw/zinc/82/59/73/431825973.db2.gz KBHOYRFPYOFLLH-BBRMVZONSA-N -1 0 303.402 3.330 50 0 DGAARM Cn1cccc1[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000035399822 431830581 /nfs/dbraw/zinc/83/05/81/431830581.db2.gz QDXJQUVDHYDFEZ-ZDUSSCGKSA-N -1 0 314.414 3.073 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000035571892 431832180 /nfs/dbraw/zinc/83/21/80/431832180.db2.gz LGSBBCGSNLYKOI-ZDUSSCGKSA-N -1 0 305.374 3.184 50 0 DGAARM Cc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC000035571356 431832777 /nfs/dbraw/zinc/83/27/77/431832777.db2.gz ITBNRQXFHZCACB-KGLIPLIRSA-N -1 0 305.374 3.030 50 0 DGAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(-c2ccno2)cs1 ZINC000044922048 431879394 /nfs/dbraw/zinc/87/93/94/431879394.db2.gz BIFGLFULTUEPEG-UHFFFAOYSA-N -1 0 324.358 3.343 50 0 DGAARM Cc1ccc([C@H](CC(=O)NCCC(=O)[O-])c2ccccc2)cc1 ZINC000055061014 431975304 /nfs/dbraw/zinc/97/53/04/431975304.db2.gz QWKQBKYSGJYGND-QGZVFWFLSA-N -1 0 311.381 3.108 50 0 DGAARM Cc1ccc(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000095970284 431929826 /nfs/dbraw/zinc/92/98/26/431929826.db2.gz YMVNBCYZXQOQBI-MLGOLLRUSA-N -1 0 317.410 3.177 50 0 DGAARM Cc1ncc(/C=C/C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000095970405 431930202 /nfs/dbraw/zinc/93/02/02/431930202.db2.gz WILOCQPDUGIUCL-UQZXCRFKSA-N -1 0 314.366 3.201 50 0 DGAARM O=C([O-])c1cccc(C(=O)NC2(c3nccs3)CCCC2)c1 ZINC000095976716 431930391 /nfs/dbraw/zinc/93/03/91/431930391.db2.gz MXKXRQALKGQFON-UHFFFAOYSA-N -1 0 316.382 3.041 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000095989349 431932585 /nfs/dbraw/zinc/93/25/85/431932585.db2.gz DCXCWXWFNSMODT-BZSNNMDCSA-N -1 0 323.392 3.267 50 0 DGAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000095989351 431932674 /nfs/dbraw/zinc/93/26/74/431932674.db2.gz DCXCWXWFNSMODT-OKZBNKHCSA-N -1 0 323.392 3.267 50 0 DGAARM C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000095992019 431932824 /nfs/dbraw/zinc/93/28/24/431932824.db2.gz BQKLDWXFWPZGCL-QWHCGFSZSA-N -1 0 309.431 3.030 50 0 DGAARM Cc1nc([C@@H](C)NC(=O)c2ccccc2Cl)sc1C(=O)[O-] ZINC000095997238 431933733 /nfs/dbraw/zinc/93/37/33/431933733.db2.gz VMECNHODUWHEMZ-MRVPVSSYSA-N -1 0 324.789 3.294 50 0 DGAARM Cc1ccc(NS(=O)(=O)/C=C\c2ccccc2)c(C(=O)[O-])c1 ZINC000096401590 431945772 /nfs/dbraw/zinc/94/57/72/431945772.db2.gz KWAGWJTWVHBWAE-KTKRTIGZSA-N -1 0 317.366 3.106 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000050921384 431949039 /nfs/dbraw/zinc/94/90/39/431949039.db2.gz OJWURUYENRQOGG-NSHDSACASA-N -1 0 313.756 3.339 50 0 DGAARM O=C([O-])CCn1c(/C=C\c2ccccc2)nc2ccccc2c1=O ZINC000097035234 431956808 /nfs/dbraw/zinc/95/68/08/431956808.db2.gz ZYMDFYUHFXSENE-KHPPLWFESA-N -1 0 320.348 3.042 50 0 DGAARM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000100015346 431980599 /nfs/dbraw/zinc/98/05/99/431980599.db2.gz OELFLUMRDSZNSF-IXDOHACOSA-N -1 0 317.429 3.261 50 0 in-man DGAARM O=C([O-])Cc1ccc(OCc2ccn(-c3ccccc3)n2)cc1 ZINC000097212255 431965246 /nfs/dbraw/zinc/96/52/46/431965246.db2.gz XVSRMQZDCAZQGU-UHFFFAOYSA-N -1 0 308.337 3.078 50 0 DGAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccc(C)cc1 ZINC000100129698 431981222 /nfs/dbraw/zinc/98/12/22/431981222.db2.gz FYWVIFPIMLPFDC-UHFFFAOYSA-N -1 0 308.385 3.192 50 0 DGAARM COCc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(Cl)cc1 ZINC000101053835 431983521 /nfs/dbraw/zinc/98/35/21/431983521.db2.gz LBYMCYMBGCOSLZ-UHFFFAOYSA-N -1 0 303.749 3.210 50 0 DGAARM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000262543799 281439743 /nfs/dbraw/zinc/43/97/43/281439743.db2.gz RLZFOYVEMKHXPV-NSHDSACASA-N -1 0 315.291 3.188 50 0 DGAARM CC1(C)[C@@H](c2nc3c4ccccc4ncn3n2)CC[C@]1(C)C(=O)[O-] ZINC000006085706 281449800 /nfs/dbraw/zinc/44/98/00/281449800.db2.gz HVTWIDRZXOVYOX-KZULUSFZSA-N -1 0 324.384 3.272 50 0 DGAARM COc1cccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)c1 ZINC000102742745 431998229 /nfs/dbraw/zinc/99/82/29/431998229.db2.gz QZUJJAOBAZSBPW-CQSZACIVSA-N -1 0 312.329 3.314 50 0 DGAARM Cc1nc(C2CC2)oc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262727806 432499241 /nfs/dbraw/zinc/49/92/41/432499241.db2.gz GXJKMORIKZQWJY-UHFFFAOYSA-N -1 0 314.341 3.130 50 0 DGAARM O=C([O-])c1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000263571517 432558209 /nfs/dbraw/zinc/55/82/09/432558209.db2.gz JMGMYMWQNPJOOB-UHFFFAOYSA-N -1 0 315.394 3.466 50 0 DGAARM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(C(=O)[O-])cc1 ZINC000263578916 432559059 /nfs/dbraw/zinc/55/90/59/432559059.db2.gz TYXVEPPWCCEBBD-UHFFFAOYSA-N -1 0 301.390 3.037 50 0 DGAARM CN(C(=O)CC1=CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263189366 432525433 /nfs/dbraw/zinc/52/54/33/432525433.db2.gz XPCBKVHITHHSBP-UHFFFAOYSA-N -1 0 303.358 3.003 50 0 DGAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCCCO1 ZINC000263238363 432528882 /nfs/dbraw/zinc/52/88/82/432528882.db2.gz DJHSNQLTTUZORU-ZDUSSCGKSA-N -1 0 321.373 3.070 50 0 DGAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc2sccc2c1 ZINC000263300365 432532942 /nfs/dbraw/zinc/53/29/42/432532942.db2.gz DCYJMUKHTFZWLV-YDHLFZDLSA-N -1 0 315.394 3.227 50 0 DGAARM O=C([O-])c1ccc(CC(=O)N2CC3(CC3)c3ccccc32)cc1 ZINC000263370342 432538391 /nfs/dbraw/zinc/53/83/91/432538391.db2.gz XVYMAXCEFGIRIY-UHFFFAOYSA-N -1 0 307.349 3.006 50 0 DGAARM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1(C)C ZINC000221734140 432668037 /nfs/dbraw/zinc/66/80/37/432668037.db2.gz KBXWDAXWFUPGLA-SQWLQELKSA-N -1 0 307.434 3.328 50 0 DGAARM O=C([O-])c1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)ccn1 ZINC000237978764 432807317 /nfs/dbraw/zinc/80/73/17/432807317.db2.gz LXRXQJVUYCHZCA-KRWDZBQOSA-N -1 0 322.364 3.072 50 0 DGAARM CC(C)n1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000280894753 433215657 /nfs/dbraw/zinc/21/56/57/433215657.db2.gz FIHRAKORHQFDEQ-UHFFFAOYSA-N -1 0 317.773 3.057 50 0 DGAARM Cc1ccc(CN2Cc3ccccc3N(CC(=O)[O-])C2=O)cc1 ZINC000299793140 433387877 /nfs/dbraw/zinc/38/78/77/433387877.db2.gz JILKZGHJHHWAME-UHFFFAOYSA-N -1 0 310.353 3.022 50 0 DGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1OC(=O)c2ccccc21 ZINC000101027498 293683482 /nfs/dbraw/zinc/68/34/82/293683482.db2.gz YILNJCYMQBNALH-MRXNPFEDSA-N -1 0 306.321 3.146 50 0 DGAARM COc1cccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1 ZINC000004651538 295307239 /nfs/dbraw/zinc/30/72/39/295307239.db2.gz WOALXUBOIUFZFN-HUUCEWRRSA-N -1 0 303.358 3.081 50 0 DGAARM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000642066384 435858865 /nfs/dbraw/zinc/85/88/65/435858865.db2.gz KIHJABPWHFOJDW-MRXNPFEDSA-N -1 0 312.369 3.393 50 0 DGAARM Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000653333097 436162906 /nfs/dbraw/zinc/16/29/06/436162906.db2.gz KYQKETDSVUBCGG-LSDHHAIUSA-N -1 0 315.394 3.408 50 0 DGAARM Cc1ccc(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331758 436163759 /nfs/dbraw/zinc/16/37/59/436163759.db2.gz VYRILMXPZWSIGQ-LSDHHAIUSA-N -1 0 315.394 3.028 50 0 DGAARM Cn1nccc1NC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097103418 303067785 /nfs/dbraw/zinc/06/77/85/303067785.db2.gz XUOVFSDEFAIRDI-UHFFFAOYSA-N -1 0 301.133 3.077 50 0 DGAARM Cc1cc(Cl)c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1C ZINC000563261871 315096621 /nfs/dbraw/zinc/09/66/21/315096621.db2.gz JFHROVONBBPFFF-GFCCVEGCSA-N -1 0 309.793 3.188 50 0 DGAARM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1(C(F)F)CCCC1 ZINC000567513026 315427155 /nfs/dbraw/zinc/42/71/55/315427155.db2.gz TZUFPISXVZOAFH-UHFFFAOYSA-N -1 0 317.339 3.330 50 0 DGAARM Cc1cc(C([O-])=CS(=O)(=O)c2ccccc2)c(C)n1C1CC1 ZINC000062687930 323209881 /nfs/dbraw/zinc/20/98/81/323209881.db2.gz SDXYJKMOXYFBHC-UHFFFAOYSA-N -1 0 317.410 3.096 50 0 DGAARM O=C([O-])c1ccnc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000582796328 324277328 /nfs/dbraw/zinc/27/73/28/324277328.db2.gz CAGHCWNIAPYFJG-ZDUSSCGKSA-N -1 0 317.316 3.144 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)cc2)cc1 ZINC000000058240 331458611 /nfs/dbraw/zinc/45/86/11/331458611.db2.gz IEAKXYGMMHNCQB-UHFFFAOYSA-N -1 0 308.786 3.305 50 0 DGAARM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccccc2F)on1 ZINC000186594685 500600220 /nfs/dbraw/zinc/60/02/20/500600220.db2.gz GWUCOMVEQYNAQT-UHFFFAOYSA-N -1 0 312.366 3.053 50 0 DGAARM Cc1ccc(-c2cc3[n-]c(-c4cnccn4)nc(=O)c3s2)cc1 ZINC000054754323 500965822 /nfs/dbraw/zinc/96/58/22/500965822.db2.gz SBOHLUMHVFNBKU-UHFFFAOYSA-N -1 0 320.377 3.417 50 0 DGAARM Cc1onc(-c2cc(Br)ccc2F)c1C(=O)[O-] ZINC000070426679 545708989 /nfs/dbraw/zinc/70/89/89/545708989.db2.gz CBCPKEXNLUQUQN-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccsc2Cl)C1 ZINC000668282464 547434640 /nfs/dbraw/zinc/43/46/40/547434640.db2.gz SYTGVDVAEMNRDK-VIFPVBQESA-N -1 0 315.822 3.365 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc21 ZINC000679102044 548830264 /nfs/dbraw/zinc/83/02/64/548830264.db2.gz SIEWVFLVSMJLQV-HZPDHXFCSA-N -1 0 315.413 3.352 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(F)cc2)[C@H]1C(=O)[O-] ZINC000203305297 563802281 /nfs/dbraw/zinc/80/22/81/563802281.db2.gz VYMSTISZOFZGCY-OCCSQVGLSA-N -1 0 323.364 3.078 50 0 DGAARM CC[C@](CNC(=O)c1oc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000262952533 685125026 /nfs/dbraw/zinc/12/50/26/685125026.db2.gz IFEIYTWIYIVGPR-GOSISDBHSA-N -1 0 315.369 3.059 50 0 DGAARM Cc1cc(C(=O)[O-])nc(N[C@H](CC(C)(C)C)c2cccnc2)n1 ZINC001506399302 1186222145 /nfs/dbraw/zinc/22/21/45/1186222145.db2.gz DNTLIRWSMKPJPD-CQSZACIVSA-N -1 0 314.389 3.468 50 0 DGAARM Cc1cc(C(=O)[O-])nc(N[C@@H](CC(C)(C)C)c2cccnc2)n1 ZINC001506399301 1186222375 /nfs/dbraw/zinc/22/23/75/1186222375.db2.gz DNTLIRWSMKPJPD-AWEZNQCLSA-N -1 0 314.389 3.468 50 0 DGAARM CO[C@@H](C)c1ccc(-c2nc(SC)ncc2C(=O)[O-])cc1 ZINC001506421411 1186226962 /nfs/dbraw/zinc/22/69/62/1186226962.db2.gz IZWYZYHHMYQNSR-VIFPVBQESA-N -1 0 304.371 3.271 50 0 DGAARM O=C([O-])[C@H]1C[C@@H]2C[C@@H](C[N@H+](Cc3cccnc3)C2)c2ccccc21 ZINC001529579636 1187566599 /nfs/dbraw/zinc/56/65/99/1187566599.db2.gz CGUOIWJAVHKUCD-BXWFABGCSA-N -1 0 322.408 3.259 50 0 DGAARM COc1cc(-c2onc(N3CCC[C@@H]3C)c2C(=O)[O-])ccc1F ZINC001704326318 1202521043 /nfs/dbraw/zinc/52/10/43/1202521043.db2.gz USWZQUFPVCQHFY-VIFPVBQESA-N -1 0 320.320 3.176 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2cccn2C2CCCC2)c2ccccc21 ZINC000192938053 1096529577 /nfs/dbraw/zinc/52/95/77/1096529577.db2.gz XIKZAWJNEOXIKX-OAHLLOKOSA-N -1 0 324.380 3.432 50 0 DGAARM O=C([O-])Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1 ZINC000095495642 185374237 /nfs/dbraw/zinc/37/42/37/185374237.db2.gz SGJAIVPQDHGHHV-UHFFFAOYSA-N -1 0 309.365 3.217 50 0 DGAARM CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2Cl)no1 ZINC000095508125 185375742 /nfs/dbraw/zinc/37/57/42/185375742.db2.gz WSKVSUZEEPQXIN-CYBMUJFWSA-N -1 0 322.748 3.007 50 0 DGAARM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000095424363 185361392 /nfs/dbraw/zinc/36/13/92/185361392.db2.gz JXQJYEKCZKCSHV-MRVPVSSYSA-N -1 0 324.427 3.353 50 0 DGAARM Cc1ncsc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000097014492 185397313 /nfs/dbraw/zinc/39/73/13/185397313.db2.gz AAXGHTXXHICQOB-UHFFFAOYSA-N -1 0 304.371 3.066 50 0 DGAARM CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000097018320 185397770 /nfs/dbraw/zinc/39/77/70/185397770.db2.gz IQWZGEXXVZOOIF-NHYWBVRUSA-N -1 0 301.342 3.034 50 0 DGAARM C[C@H](Cc1cccs1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000097018551 185398045 /nfs/dbraw/zinc/39/80/45/185398045.db2.gz WMJXVEFKZWVGNB-GFCCVEGCSA-N -1 0 317.410 3.284 50 0 DGAARM CCn1c(C(=O)NC2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC000097018577 185398093 /nfs/dbraw/zinc/39/80/93/185398093.db2.gz NASKIUGZRFEXSU-UHFFFAOYSA-N -1 0 314.385 3.034 50 0 DGAARM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000097045087 185402401 /nfs/dbraw/zinc/40/24/01/185402401.db2.gz SFGMMGSORQCCJH-CYBMUJFWSA-N -1 0 321.392 3.207 50 0 DGAARM C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000170625925 197794648 /nfs/dbraw/zinc/79/46/48/197794648.db2.gz ZIPFLVNUPROOQC-FRIZHTMISA-N -1 0 317.429 3.261 50 0 DGAARM CC(C)n1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cn1 ZINC000072239322 191083093 /nfs/dbraw/zinc/08/30/93/191083093.db2.gz YZWKJEZDHRCTFC-UHFFFAOYSA-N -1 0 319.430 3.144 50 0 DGAARM CCCc1occc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000262907291 186322898 /nfs/dbraw/zinc/32/28/98/186322898.db2.gz JGSOPMNMHVMAJM-UHFFFAOYSA-N -1 0 303.314 3.191 50 0 DGAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000000378684 180771187 /nfs/dbraw/zinc/77/11/87/180771187.db2.gz KFXVPUDBCLRSOA-QGZVFWFLSA-N -1 0 322.364 3.229 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000000469375 180800485 /nfs/dbraw/zinc/80/04/85/180800485.db2.gz GABASQJONDKFTJ-UHFFFAOYSA-N -1 0 309.365 3.290 50 0 DGAARM CCCCOc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000002445278 180924374 /nfs/dbraw/zinc/92/43/74/180924374.db2.gz OEMYNIVCULCIJA-UHFFFAOYSA-N -1 0 304.342 3.216 50 0 DGAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000002568078 180935904 /nfs/dbraw/zinc/93/59/04/180935904.db2.gz URKWHOVNPHQQTM-HNNXBMFYSA-N -1 0 315.369 3.360 50 0 DGAARM O=C([O-])C1=Nc2nc3ccccc3n2[C@@H](c2ccc(F)cc2)C1 ZINC000004635560 304036000 /nfs/dbraw/zinc/03/60/00/304036000.db2.gz RTUNNTLFYHJKAN-OAHLLOKOSA-N -1 0 309.300 3.159 50 0 DGAARM O=C([O-])[C@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003900094 181054823 /nfs/dbraw/zinc/05/48/23/181054823.db2.gz UAJACJNUWFYSDF-QAQURRIXSA-N -1 0 313.397 3.086 50 0 biogenic DGAARM COc1ccc(OC)c(-c2c(C)c3ccc([O-])cc3oc2=O)c1 ZINC000004084436 181070984 /nfs/dbraw/zinc/07/09/84/181070984.db2.gz AMLLXPGYWQAJJA-UHFFFAOYSA-N -1 0 312.321 3.491 50 0 biogenic DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccsc1)C(=O)[O-] ZINC000004241253 181087523 /nfs/dbraw/zinc/08/75/23/181087523.db2.gz LSZNTEAQCQFYGJ-OAHLLOKOSA-N -1 0 311.403 3.145 50 0 DGAARM CCCCc1cc(C)nc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000004526622 181120007 /nfs/dbraw/zinc/12/00/07/181120007.db2.gz HCJLBQXPBQNLOW-UHFFFAOYSA-N -1 0 319.430 3.237 50 0 DGAARM O=C([O-])c1ccccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000004525224 181120350 /nfs/dbraw/zinc/12/03/50/181120350.db2.gz BWFQGQFSABBUGY-UHFFFAOYSA-N -1 0 308.337 3.437 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004673270 181134722 /nfs/dbraw/zinc/13/47/22/181134722.db2.gz MOQGSCDMYULJCN-VXGBXAGGSA-N -1 0 313.275 3.311 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])cc1 ZINC000004724641 181142808 /nfs/dbraw/zinc/14/28/08/181142808.db2.gz NCLVMCJUOXOLOL-ZIAGYGMSSA-N -1 0 321.760 3.061 50 0 DGAARM O=C([O-])CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000005531376 304045584 /nfs/dbraw/zinc/04/55/84/304045584.db2.gz DWBWUSFWAOBRHC-UHFFFAOYSA-N -1 0 309.325 3.033 50 0 DGAARM Cc1ccccc1-c1noc(-c2c([O-])c3ccccc3[nH]c2=O)n1 ZINC000075536595 191488102 /nfs/dbraw/zinc/48/81/02/191488102.db2.gz PDONHHMJESTHJF-UHFFFAOYSA-N -1 0 319.320 3.259 50 0 DGAARM C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000005603623 181263038 /nfs/dbraw/zinc/26/30/38/181263038.db2.gz ZIPFLVNUPROOQC-WTANOLMUSA-N -1 0 317.429 3.261 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])on1 ZINC000236902745 202062096 /nfs/dbraw/zinc/06/20/96/202062096.db2.gz IZNZQLMMMUOWPG-NWDGAFQWSA-N -1 0 308.378 3.048 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2ncccc2c1 ZINC000097000752 304059563 /nfs/dbraw/zinc/05/95/63/304059563.db2.gz WPLNFDHDDSQWIX-HNNXBMFYSA-N -1 0 312.369 3.094 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000237640044 202314565 /nfs/dbraw/zinc/31/45/65/202314565.db2.gz SGGBNDIUSLLGDH-RJYAGPCLSA-N -1 0 315.413 3.284 50 0 DGAARM Cc1ccccc1CCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237719501 202337991 /nfs/dbraw/zinc/33/79/91/202337991.db2.gz VCMNOVWSGTUNBP-MRXNPFEDSA-N -1 0 303.402 3.174 50 0 DGAARM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237765315 202349004 /nfs/dbraw/zinc/34/90/04/202349004.db2.gz LTKAYRGTAQMPLM-MRXNPFEDSA-N -1 0 321.760 3.331 50 0 DGAARM CC(C)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005977246 181302692 /nfs/dbraw/zinc/30/26/92/181302692.db2.gz IESBGFNMSPMHCI-SNVBAGLBSA-N -1 0 305.161 3.224 50 0 DGAARM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CC1 ZINC000271919246 209324306 /nfs/dbraw/zinc/32/43/06/209324306.db2.gz TYGLXPGRLKKELB-DHZHZOJOSA-N -1 0 303.358 3.467 50 0 DGAARM Cc1c(Cl)c(-c2n[n-]c(=S)n2-c2ccc(F)cc2)nn1C ZINC000006265961 181324212 /nfs/dbraw/zinc/32/42/12/181324212.db2.gz MNPQISXNUBUTRX-UHFFFAOYSA-N -1 0 323.784 3.431 50 0 DGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000006316555 181329368 /nfs/dbraw/zinc/32/93/68/181329368.db2.gz XAQNXAICDHAXSG-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017055061 304107065 /nfs/dbraw/zinc/10/70/65/304107065.db2.gz WRINOZNASHQYFE-XANRMCGBSA-N -1 0 319.445 3.210 50 0 DGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCC2 ZINC000006668231 181367845 /nfs/dbraw/zinc/36/78/45/181367845.db2.gz OHULBSIEGVKYJM-HZPDHXFCSA-N -1 0 301.386 3.395 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000006706884 181375014 /nfs/dbraw/zinc/37/50/14/181375014.db2.gz CLKWVTKUMBZWOW-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM O=C([O-])C1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000224800704 201679123 /nfs/dbraw/zinc/67/91/23/201679123.db2.gz VIYBVSIRCFQFKB-UHFFFAOYSA-N -1 0 322.213 3.428 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc2cc[nH]c21 ZINC000245344034 304149500 /nfs/dbraw/zinc/14/95/00/304149500.db2.gz WZBQFYLEFMDEFY-YUELXQCFSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])/C=C/c1cc(Br)c(Br)cc1F ZINC000263622931 203487188 /nfs/dbraw/zinc/48/71/88/203487188.db2.gz CEZGGZFGWXKEOV-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000095970100 193467050 /nfs/dbraw/zinc/46/70/50/193467050.db2.gz XTIAJTLPVLXFQY-QMMMGPOBSA-N -1 0 324.789 3.009 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 ZINC000008156839 181531033 /nfs/dbraw/zinc/53/10/33/181531033.db2.gz PSAWQSBKMARACC-UHFFFAOYSA-N -1 0 322.364 3.046 50 0 biogenic DGAARM Cc1cn(C)c(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)[O-] ZINC000008607885 181568732 /nfs/dbraw/zinc/56/87/32/181568732.db2.gz NMRRMRIUJHZHJB-UHFFFAOYSA-N -1 0 320.776 3.175 50 0 DGAARM Cc1cccc2c(C)nc([N-]c3ncc4c(n3)CCCC4=O)nc12 ZINC000009487098 181624804 /nfs/dbraw/zinc/62/48/04/181624804.db2.gz NVUUAIOEGFKWFN-UHFFFAOYSA-N -1 0 319.368 3.299 50 0 DGAARM COc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc(OC)c1 ZINC000012686051 181787799 /nfs/dbraw/zinc/78/77/99/181787799.db2.gz UAKKZDQKQUPBMX-UHFFFAOYSA-N -1 0 321.373 3.068 50 0 DGAARM O=C([O-])c1ccccc1SCC(=O)Nc1cc(F)cc(F)c1 ZINC000012812171 181800482 /nfs/dbraw/zinc/80/04/82/181800482.db2.gz XIEYAHONZVANET-UHFFFAOYSA-N -1 0 323.320 3.394 50 0 DGAARM CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000013167197 181835500 /nfs/dbraw/zinc/83/55/00/181835500.db2.gz GOPGGSWHDWEVMP-OAHLLOKOSA-N -1 0 323.820 3.403 50 0 DGAARM CCOc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000013253667 181839562 /nfs/dbraw/zinc/83/95/62/181839562.db2.gz VGLMKQBGKBQGMK-CQSZACIVSA-N -1 0 313.353 3.282 50 0 DGAARM CSC1=NC(=O)C(Cc2ccc(OCC(C)C)cc2)C([O-])=N1 ZINC000013549225 181860376 /nfs/dbraw/zinc/86/03/76/181860376.db2.gz HTCWAFSAWBURMW-UHFFFAOYSA-N -1 0 320.414 3.235 50 0 DGAARM CCCN(CC(=O)[O-])C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000097228636 193694890 /nfs/dbraw/zinc/69/48/90/193694890.db2.gz WTCLFDZBFLMWKT-UHFFFAOYSA-N -1 0 318.398 3.055 50 0 DGAARM COCCCn1c(=O)c2c([n-]c1=S)sc1c2CC[C@@H](C)C1 ZINC000017066511 182073860 /nfs/dbraw/zinc/07/38/60/182073860.db2.gz QODWCVFQTQBVJV-SECBINFHSA-N -1 0 324.471 3.282 50 0 DGAARM CCO[N-]C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000022874890 182339363 /nfs/dbraw/zinc/33/93/63/182339363.db2.gz MJNKHOLLKKIZNH-UHFFFAOYSA-N -1 0 313.444 3.002 50 0 DGAARM COc1ccc([C@H]2CC[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000098095672 193785406 /nfs/dbraw/zinc/78/54/06/193785406.db2.gz PLHOSPLRVLUAEX-ZIAGYGMSSA-N -1 0 321.373 3.220 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000136167256 432147536 /nfs/dbraw/zinc/14/75/36/432147536.db2.gz JIAVILFOXVJRFQ-OFLPRAFFSA-N -1 0 315.413 3.284 50 0 DGAARM C/C(=C\C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC000268935959 207101344 /nfs/dbraw/zinc/10/13/44/207101344.db2.gz HLCFJFKSHQGRPF-ZHACJKMWSA-N -1 0 307.777 3.067 50 0 DGAARM O=C([O-])CSc1nc(Cc2ccccc2)nc2ccccc21 ZINC000058133843 184079229 /nfs/dbraw/zinc/07/92/29/184079229.db2.gz JZHLOJKBBXPCQQ-UHFFFAOYSA-N -1 0 310.378 3.397 50 0 DGAARM CCc1ccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)cc1 ZINC000065215227 184314836 /nfs/dbraw/zinc/31/48/36/184314836.db2.gz DZIFHCVEPPFNML-UHFFFAOYSA-N -1 0 314.366 3.110 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000269175865 207297175 /nfs/dbraw/zinc/29/71/75/207297175.db2.gz JSPJAADBARDSGA-GFCCVEGCSA-N -1 0 317.410 3.157 50 0 DGAARM C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)C1CCOCC1 ZINC000157615071 197202093 /nfs/dbraw/zinc/20/20/93/197202093.db2.gz GICZSMVMUIPKHN-VIFPVBQESA-N -1 0 306.387 3.118 50 0 DGAARM O=C([O-])C[C@H](NC(=O)Cc1cccs1)c1ccc(Cl)cc1 ZINC000004686089 400085063 /nfs/dbraw/zinc/08/50/63/400085063.db2.gz GJXHSFHWGIHPSF-ZDUSSCGKSA-N -1 0 323.801 3.276 50 0 DGAARM O=c1nc(-c2cc(Oc3cccc(C(F)(F)F)c3)ccn2)[n-]o1 ZINC000117576398 400420300 /nfs/dbraw/zinc/42/03/00/400420300.db2.gz SHVQMSPCWHAKHS-UHFFFAOYSA-N -1 0 323.230 3.236 50 0 DGAARM CN1c2ccccc2/C(=C/c2ccc(OCCC(=O)[O-])cc2)C1=O ZINC000044024499 400483967 /nfs/dbraw/zinc/48/39/67/400483967.db2.gz GKSNQMDOAVSJLI-VBKFSLOCSA-N -1 0 323.348 3.057 50 0 DGAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ncoc2C(C)C)cc1 ZINC000076016938 400627122 /nfs/dbraw/zinc/62/71/22/400627122.db2.gz FZBJQOBLCBFHJN-ZDUSSCGKSA-N -1 0 316.357 3.052 50 0 DGAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 ZINC000195552113 400924450 /nfs/dbraw/zinc/92/44/50/400924450.db2.gz PJERWQZEPDGDBF-CQSZACIVSA-N -1 0 321.392 3.108 50 0 DGAARM O=C([O-])C1(CC(=O)NC2(c3ccc(Cl)cc3)CC2)CCC1 ZINC000195578243 400926834 /nfs/dbraw/zinc/92/68/34/400926834.db2.gz PCNCUBMPACWVSQ-UHFFFAOYSA-N -1 0 307.777 3.090 50 0 DGAARM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000630201498 401216249 /nfs/dbraw/zinc/21/62/49/401216249.db2.gz ZBVOALPMAMVNOM-INIZCTEOSA-N -1 0 324.380 3.393 50 0 DGAARM Cc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC000630283767 401232449 /nfs/dbraw/zinc/23/24/49/401232449.db2.gz UGIBACVKPRZDKU-YCPHGPKFSA-N -1 0 301.386 3.019 50 0 DGAARM COc1ccc([C@H](C(=O)[O-])N2CCc3sccc3C2)cc1F ZINC000095383561 286366391 /nfs/dbraw/zinc/36/63/91/286366391.db2.gz GJXCBIBFRHVPQR-OAHLLOKOSA-N -1 0 321.373 3.080 50 0 DGAARM C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)[O-])C1 ZINC000002679576 296762906 /nfs/dbraw/zinc/76/29/06/296762906.db2.gz BCNYNLZUUAPJGS-MRVPVSSYSA-N -1 0 305.355 3.416 50 0 DGAARM CC(C)CCOc1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000262905867 165823668 /nfs/dbraw/zinc/82/36/68/165823668.db2.gz JBXLFTGOZMCGHP-HNNXBMFYSA-N -1 0 319.401 3.191 50 0 DGAARM CCc1ccsc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000131964000 196214115 /nfs/dbraw/zinc/21/41/15/196214115.db2.gz GGODFWUZGZQDTF-LBPRGKRZSA-N -1 0 301.367 3.139 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1ccc(Cl)cc1Br ZINC000132978073 196301178 /nfs/dbraw/zinc/30/11/78/196301178.db2.gz FMSOBBFATUBYFJ-LLVKDONJSA-N -1 0 318.598 3.152 50 0 DGAARM CCc1cccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000581714578 415226105 /nfs/dbraw/zinc/22/61/05/415226105.db2.gz RFPCBVMOEZZLBK-UHFFFAOYSA-N -1 0 311.790 3.409 50 0 DGAARM Cc1cnc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000057721804 425896798 /nfs/dbraw/zinc/89/67/98/425896798.db2.gz IOAUIWWTEWYZKA-UHFFFAOYSA-N -1 0 322.333 3.271 50 0 DGAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003643747 277953964 /nfs/dbraw/zinc/95/39/64/277953964.db2.gz FQEPJUOLUDFINX-NVXWUHKLSA-N -1 0 308.333 3.167 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(=O)[O-])CC1 ZINC000002526797 278382570 /nfs/dbraw/zinc/38/25/70/278382570.db2.gz MRPLBBJOYCTQDY-UHFFFAOYSA-N -1 0 320.389 3.196 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000035571180 278382924 /nfs/dbraw/zinc/38/29/24/278382924.db2.gz NPKPUCNATSURJQ-UHFFFAOYSA-N -1 0 305.374 3.499 50 0 DGAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC000000144557 431134588 /nfs/dbraw/zinc/13/45/88/431134588.db2.gz HFJSIGVTONMOKC-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C)c1ccccc1 ZINC000000125333 431130772 /nfs/dbraw/zinc/13/07/72/431130772.db2.gz DJKAHODAMHQADM-WRSAYESZSA-N -1 0 303.402 3.391 50 0 DGAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccnc2)c1Cl ZINC000000127836 431131984 /nfs/dbraw/zinc/13/19/84/431131984.db2.gz AHMACNTYWDYETJ-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)c2ccccc12 ZINC000000179529 431139607 /nfs/dbraw/zinc/13/96/07/431139607.db2.gz HNDGBOJRHVUFAS-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM COc1ccccc1NC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000190210 431142615 /nfs/dbraw/zinc/14/26/15/431142615.db2.gz UHVXTHWPROQFCT-PIGZYNQJSA-N -1 0 305.374 3.161 50 0 DGAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)NCc1ccco1 ZINC000000192729 431141624 /nfs/dbraw/zinc/14/16/24/431141624.db2.gz USXHBXQRQUWBNV-UHFFFAOYSA-N -1 0 314.124 3.215 50 0 DGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)c1 ZINC000000303921 431162432 /nfs/dbraw/zinc/16/24/32/431162432.db2.gz XZUJJEKUEVIAIW-UHFFFAOYSA-N -1 0 310.806 3.461 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000000340777 431168271 /nfs/dbraw/zinc/16/82/71/431168271.db2.gz MVVMUFGXEHCLPW-CQSZACIVSA-N -1 0 303.745 3.286 50 0 DGAARM COc1cc(C(=O)[O-])cc(Br)c1OC1CCCC1 ZINC000000360739 431171871 /nfs/dbraw/zinc/17/18/71/431171871.db2.gz CSIGUGGJAICJPV-UHFFFAOYSA-N -1 0 315.163 3.477 50 0 DGAARM CC(C)C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000539029 431198168 /nfs/dbraw/zinc/19/81/68/431198168.db2.gz XANYRWJCGMXZPH-NSHDSACASA-N -1 0 318.295 3.326 50 0 DGAARM CCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000534334 431200097 /nfs/dbraw/zinc/20/00/97/431200097.db2.gz OJMKXUDLRXNYFS-INIZCTEOSA-N -1 0 312.369 3.066 50 0 DGAARM COc1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000000240049 431152047 /nfs/dbraw/zinc/15/20/47/431152047.db2.gz NWSBHIGLNBNYDQ-UHFFFAOYSA-N -1 0 317.366 3.124 50 0 DGAARM O=C([O-])CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000246361 431153916 /nfs/dbraw/zinc/15/39/16/431153916.db2.gz ARVPDCQNTCJVSU-UHFFFAOYSA-N -1 0 309.325 3.033 50 0 DGAARM COc1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000261217 431156601 /nfs/dbraw/zinc/15/66/01/431156601.db2.gz QPYTVMVVJQQGBR-GUYCJALGSA-N -1 0 305.374 3.161 50 0 DGAARM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000000582474 431204945 /nfs/dbraw/zinc/20/49/45/431204945.db2.gz NRTJENABORLPEN-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000069706487 431211556 /nfs/dbraw/zinc/21/15/56/431211556.db2.gz QNTVHZFTNSXPDY-UHFFFAOYSA-N -1 0 321.760 3.323 50 0 DGAARM O=S(=O)([O-])c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000002027558 431241264 /nfs/dbraw/zinc/24/12/64/431241264.db2.gz DSGDBCPTSMQPDY-UHFFFAOYSA-N -1 0 318.276 3.091 50 0 DGAARM O=C([O-])CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000002245253 431249913 /nfs/dbraw/zinc/24/99/13/431249913.db2.gz JIXPXNUZJCCKGO-SFHVURJKSA-N -1 0 312.321 3.019 50 0 DGAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000002499713 431253790 /nfs/dbraw/zinc/25/37/90/431253790.db2.gz CLZYGVBASLYBCE-LSDHHAIUSA-N -1 0 301.367 3.267 50 0 DGAARM CC(C)(C)OC(=O)Nc1cccc2c1ccn2CCC(=O)[O-] ZINC000002541446 431256864 /nfs/dbraw/zinc/25/68/64/431256864.db2.gz GJTJHFFVBIKJSZ-UHFFFAOYSA-N -1 0 304.346 3.463 50 0 DGAARM O=C(CP(=O)([O-])CC(=O)c1ccccc1)c1ccccc1 ZINC000003121500 431284681 /nfs/dbraw/zinc/28/46/81/431284681.db2.gz SNSGDTLUMBRCLO-UHFFFAOYSA-N -1 0 302.266 3.023 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000002737740 431266794 /nfs/dbraw/zinc/26/67/94/431266794.db2.gz CRZMVVBSYZLCHT-HOTGVXAUSA-N -1 0 316.401 3.138 50 0 DGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000002740253 431267294 /nfs/dbraw/zinc/26/72/94/431267294.db2.gz ROYDZIKUNGAOQP-GWCFXTLKSA-N -1 0 309.774 3.388 50 0 DGAARM Cc1ccc(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1C ZINC000002763777 431267674 /nfs/dbraw/zinc/26/76/74/431267674.db2.gz YFSHTDMCASIYBN-UHFFFAOYSA-N -1 0 304.371 3.230 50 0 DGAARM CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000006623323 431318109 /nfs/dbraw/zinc/31/81/09/431318109.db2.gz NVTXLDYNNPQXSG-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000007056401 431329515 /nfs/dbraw/zinc/32/95/15/431329515.db2.gz YSNKSQVTVKRDPL-UHFFFAOYSA-N -1 0 313.325 3.083 50 0 DGAARM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000007708918 431360224 /nfs/dbraw/zinc/36/02/24/431360224.db2.gz ZAFUIFHPPSFSCY-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM CC(C)COC[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073268742 431364833 /nfs/dbraw/zinc/36/48/33/431364833.db2.gz YDOUPWHYTPUFKM-SNVBAGLBSA-N -1 0 308.403 3.281 50 0 DGAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCO[C@@H]2CCC[C@H]21 ZINC000073768529 431381281 /nfs/dbraw/zinc/38/12/81/431381281.db2.gz RIUAYJHJTFINDY-CHWSQXEVSA-N -1 0 318.398 3.274 50 0 DGAARM C[C@H](C1CC1)n1ncc2c1nc(-c1cccnc1)cc2C(=O)[O-] ZINC000008427675 431400711 /nfs/dbraw/zinc/40/07/11/431400711.db2.gz KBFHCWCNXQLXAO-SNVBAGLBSA-N -1 0 308.341 3.163 50 0 DGAARM COCc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(Cl)cc1 ZINC000009261152 431426730 /nfs/dbraw/zinc/42/67/30/431426730.db2.gz BXEYDNSKMAUCKH-UHFFFAOYSA-N -1 0 317.776 3.106 50 0 DGAARM Cc1ccc(CC(=O)Nc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000012349209 431503175 /nfs/dbraw/zinc/50/31/75/431503175.db2.gz UGDPQQXYEKUXRO-UHFFFAOYSA-N -1 0 315.394 3.353 50 0 DGAARM COC(=O)C(=C\c1ccccc1)/C(=C/c1ccccc1)C(=O)[O-] ZINC000013556996 431557016 /nfs/dbraw/zinc/55/70/16/431557016.db2.gz BTTPFHZJCDGQJR-MCOFMCJXSA-N -1 0 308.333 3.411 50 0 DGAARM CN(CCOc1ccc(F)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000013004300 431545040 /nfs/dbraw/zinc/54/50/40/431545040.db2.gz PCJPDSPADPNPSE-UHFFFAOYSA-N -1 0 323.751 3.336 50 0 DGAARM O=C([O-])c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 ZINC000014960274 431598366 /nfs/dbraw/zinc/59/83/66/431598366.db2.gz LYNBNVBMAGDJRW-UHFFFAOYSA-N -1 0 322.324 3.368 50 0 DGAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C ZINC000014097302 431578123 /nfs/dbraw/zinc/57/81/23/431578123.db2.gz YEBPFXRMDBMBGT-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c(OC)c1 ZINC000014255313 431586945 /nfs/dbraw/zinc/58/69/45/431586945.db2.gz CKVPHKFZTXYNJV-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM CCn1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000014248925 431588483 /nfs/dbraw/zinc/58/84/83/431588483.db2.gz CJMFWRSSSZPENF-UHFFFAOYSA-N -1 0 320.201 3.011 50 0 DGAARM [O-]c1c(Br)cc(Br)c2cccnc12 ZINC000000001064 280450470 /nfs/dbraw/zinc/45/04/70/280450470.db2.gz ZDASUJMDVPTNTF-UHFFFAOYSA-N -1 0 302.953 3.465 50 0 world DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccnc2Cl)C1 ZINC000017031876 431616891 /nfs/dbraw/zinc/61/68/91/431616891.db2.gz GBOYBBCZCXOILB-MNOVXSKESA-N -1 0 308.765 3.121 50 0 DGAARM O=c1[nH]c2ccccc2c([O-])c1-c1cc2ccccc2oc1=O ZINC000018143876 431619421 /nfs/dbraw/zinc/61/94/21/431619421.db2.gz BDFRTCNSCCPAFO-UHFFFAOYSA-N -1 0 305.289 3.007 50 0 biogenic DGAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCOc2ccccc21 ZINC000118875796 431624859 /nfs/dbraw/zinc/62/48/59/431624859.db2.gz MMZJIEPYKOXXSR-UHFFFAOYSA-N -1 0 312.350 3.156 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCn2c3ccccc3nc21 ZINC000030650945 431744206 /nfs/dbraw/zinc/74/42/06/431744206.db2.gz PMKRPPAVDVKNHF-UHFFFAOYSA-N -1 0 313.744 3.056 50 0 DGAARM COc1ccc(-c2nc3c(C)cccn3c2/C=C/C(=O)[O-])cc1 ZINC000031829377 431766001 /nfs/dbraw/zinc/76/60/01/431766001.db2.gz XAHXNFSUFBFLSG-MDZDMXLPSA-N -1 0 308.337 3.416 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)n(C2CCCC2)n1 ZINC000032611654 431785342 /nfs/dbraw/zinc/78/53/42/431785342.db2.gz UUKJNGLHZZXQSR-UHFFFAOYSA-N -1 0 319.430 3.416 50 0 DGAARM CCc1onc(C)c1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000089645655 431873600 /nfs/dbraw/zinc/87/36/00/431873600.db2.gz MRJMCAAQGQSBDZ-LLVKDONJSA-N -1 0 308.403 3.091 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000035302980 431828157 /nfs/dbraw/zinc/82/81/57/431828157.db2.gz WCQHDDRJXDDEQE-LBPRGKRZSA-N -1 0 306.749 3.044 50 0 DGAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000036047769 431833204 /nfs/dbraw/zinc/83/32/04/431833204.db2.gz FWLSZYCFYMQYSO-DLBZAZTESA-N -1 0 309.365 3.460 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2nccs2)c2ccccc12 ZINC000035685620 431833902 /nfs/dbraw/zinc/83/39/02/431833902.db2.gz ZSZKLLBAZRNBJN-UHFFFAOYSA-N -1 0 320.395 3.106 50 0 DGAARM Cc1ncsc1CCN(C)[C@@H](C(=O)[O-])c1ccc(C)cc1F ZINC000095364605 431923517 /nfs/dbraw/zinc/92/35/17/431923517.db2.gz WXPQCHDROZZRAP-OAHLLOKOSA-N -1 0 322.405 3.199 50 0 DGAARM Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095375264 431924083 /nfs/dbraw/zinc/92/40/83/431924083.db2.gz FIPUJHUYVFYZFO-OAHLLOKOSA-N -1 0 312.369 3.041 50 0 DGAARM Cc1ccc(CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000095970287 431930007 /nfs/dbraw/zinc/93/00/07/431930007.db2.gz YMVNBCYZXQOQBI-LRDDRELGSA-N -1 0 317.410 3.177 50 0 DGAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1CCOC1 ZINC000095977876 431930500 /nfs/dbraw/zinc/93/05/00/431930500.db2.gz XZNYTFVMHYLCIB-YFKPBYRVSA-N -1 0 310.564 3.327 50 0 DGAARM O=C([O-])c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)cc1 ZINC000095989979 431932658 /nfs/dbraw/zinc/93/26/58/431932658.db2.gz UXLAYYMNNBHZOW-UHFFFAOYSA-N -1 0 315.291 3.189 50 0 DGAARM O=C([O-])c1cccc(C(=O)N2CCC(=Cc3ccccc3)CC2)n1 ZINC000095989971 431932813 /nfs/dbraw/zinc/93/28/13/431932813.db2.gz VERDEUDNKYBUHU-UHFFFAOYSA-N -1 0 322.364 3.099 50 0 DGAARM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(F)c1 ZINC000095992030 431932987 /nfs/dbraw/zinc/93/29/87/431932987.db2.gz TVYIQOCDISOYMA-ZDUSSCGKSA-N -1 0 321.392 3.207 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1 ZINC000095989783 431933068 /nfs/dbraw/zinc/93/30/68/431933068.db2.gz RZIIGWXIRXNDQA-LBPRGKRZSA-N -1 0 311.696 3.018 50 0 DGAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000097228702 431965171 /nfs/dbraw/zinc/96/51/71/431965171.db2.gz VIUAJIBJFQRJAH-SJKOYZFVSA-N -1 0 322.364 3.360 50 0 DGAARM CCc1ccccc1OCCN(C)C(=O)c1c([O-])cccc1F ZINC000055401999 431981101 /nfs/dbraw/zinc/98/11/01/431981101.db2.gz GERVNKPJGKUWCA-UHFFFAOYSA-N -1 0 317.360 3.245 50 0 DGAARM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000262318710 432480779 /nfs/dbraw/zinc/48/07/79/432480779.db2.gz CIDBRNWWGSTUFO-UHFFFAOYSA-N -1 0 321.373 3.293 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(C(F)F)c1 ZINC000263519394 432552039 /nfs/dbraw/zinc/55/20/39/432552039.db2.gz GKNVMUBNWPDULP-CYBMUJFWSA-N -1 0 311.328 3.484 50 0 DGAARM C[C@@H](Cc1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263206015 432527185 /nfs/dbraw/zinc/52/71/85/432527185.db2.gz VWMXEQRRTQUVMP-DCBWTQNWSA-N -1 0 323.820 3.278 50 0 DGAARM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 ZINC000216945008 432652915 /nfs/dbraw/zinc/65/29/15/432652915.db2.gz PGKFCPWVXOWNMY-UHFFFAOYSA-N -1 0 306.701 3.266 50 0 DGAARM CCC(CC)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])on1 ZINC000236713543 432759589 /nfs/dbraw/zinc/75/95/89/432759589.db2.gz JNFGCESFLLPHRP-ZDUSSCGKSA-N -1 0 322.405 3.438 50 0 DGAARM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2cc(F)ccc21 ZINC000241776899 432816671 /nfs/dbraw/zinc/81/66/71/432816671.db2.gz RTJSAHODIOYIMJ-UHFFFAOYSA-N -1 0 311.234 3.152 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC(OC3CCCC3)CC2)s1 ZINC000237987325 432808324 /nfs/dbraw/zinc/80/83/24/432808324.db2.gz PJUOPHJADFJSJI-UHFFFAOYSA-N -1 0 323.414 3.010 50 0 DGAARM COC(=O)c1occc1/C=C\c1nc2c(cccc2C(=O)[O-])o1 ZINC000339118925 433374799 /nfs/dbraw/zinc/37/47/99/433374799.db2.gz NUADFRIHWNRTJU-WAYWQWQTSA-N -1 0 313.265 3.076 50 0 DGAARM O=C([O-])c1ccc(-c2cccs2)nc1N1CCSCC1 ZINC000299798235 433385223 /nfs/dbraw/zinc/38/52/23/433385223.db2.gz QSKZCWXRACBVJD-UHFFFAOYSA-N -1 0 306.412 3.062 50 0 DGAARM Cc1cc(-c2ccnc(-n3ncc(C(=O)[O-])c3C)n2)c(C)s1 ZINC000299800199 433389639 /nfs/dbraw/zinc/38/96/39/433389639.db2.gz UEOPCXNTVVRPLD-UHFFFAOYSA-N -1 0 314.370 3.014 50 0 DGAARM C[C@H](NC(=O)CCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000426510934 433521759 /nfs/dbraw/zinc/52/17/59/433521759.db2.gz ZUCYVZLVIJSDNI-VIFPVBQESA-N -1 0 303.280 3.138 50 0 DGAARM COc1ccc(C([O-])=C(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000614877 295099769 /nfs/dbraw/zinc/09/97/69/295099769.db2.gz YEIAKVBPNVDJAR-ZDUSSCGKSA-N -1 0 318.394 3.049 50 0 DGAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C2CCCCC2)cc1 ZINC000004197238 295252879 /nfs/dbraw/zinc/25/28/79/295252879.db2.gz UNUGZVUJEWGPEL-WBVHZDCISA-N -1 0 317.385 3.002 50 0 DGAARM C[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000263552962 298198862 /nfs/dbraw/zinc/19/88/62/298198862.db2.gz MGHRNMMHZFNMRD-GOEBONIOSA-N -1 0 303.402 3.111 50 0 DGAARM CCOc1cccc2cc([C@@H](C)NC(=O)C(C)(C)C(=O)[O-])oc21 ZINC000567355722 435310282 /nfs/dbraw/zinc/31/02/82/435310282.db2.gz MEVMPYMXLRTXEO-SNVBAGLBSA-N -1 0 319.357 3.120 50 0 DGAARM CC(C)Cn1nccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000652057963 435899105 /nfs/dbraw/zinc/89/91/05/435899105.db2.gz CGSWBGAGCFCXCY-UHFFFAOYSA-N -1 0 321.764 3.143 50 0 DGAARM CCc1ccc(CC)c(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000647697427 436104229 /nfs/dbraw/zinc/10/42/29/436104229.db2.gz JJZBENCRNWLKNX-UONOGXRCSA-N -1 0 304.390 3.186 50 0 DGAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2O)c1C ZINC000004809243 301180505 /nfs/dbraw/zinc/18/05/05/301180505.db2.gz PZZKCLXQWGIKIZ-UHFFFAOYSA-N -1 0 305.399 3.427 50 0 DGAARM Cc1cc(C)c2c(nn3c2nc(-c2cccs2)cc3C(=O)[O-])n1 ZINC000013645232 301214095 /nfs/dbraw/zinc/21/40/95/301214095.db2.gz KUMHVVOCDJJVQO-UHFFFAOYSA-N -1 0 324.365 3.321 50 0 DGAARM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)o1 ZINC000000038147 301532274 /nfs/dbraw/zinc/53/22/74/301532274.db2.gz BBVJBJSJRUEXJN-UHFFFAOYSA-N -1 0 305.355 3.479 50 0 DGAARM Cc1cccc2sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])nc21 ZINC000012998448 302074085 /nfs/dbraw/zinc/07/40/85/302074085.db2.gz OBONINOXVBAURS-MNOVXSKESA-N -1 0 318.398 3.434 50 0 DGAARM Cc1sc2ncnc(NCC(=O)[O-])c2c1-c1ccc(C)cc1 ZINC000058279485 302884160 /nfs/dbraw/zinc/88/41/60/302884160.db2.gz ZTAMUMDGNHLSJD-UHFFFAOYSA-N -1 0 313.382 3.472 50 0 DGAARM O=c1c2ccccc2nc(-c2ccccc2Br)n1[O-] ZINC000001270701 304816179 /nfs/dbraw/zinc/81/61/79/304816179.db2.gz BNESCTMDEOGSHO-UHFFFAOYSA-N -1 0 317.142 3.063 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000565249687 315247041 /nfs/dbraw/zinc/24/70/41/315247041.db2.gz FPNDFCXQEABXAA-QGZVFWFLSA-N -1 0 309.365 3.405 50 0 DGAARM Cc1sc(N2CC[C@H](c3ccccc3C)C2)nc1C(=O)[O-] ZINC000578239687 323706577 /nfs/dbraw/zinc/70/65/77/323706577.db2.gz PBABTNHVGGZHTB-LBPRGKRZSA-N -1 0 302.399 3.452 50 0 DGAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ncccc2oc1=O ZINC000005817081 331492845 /nfs/dbraw/zinc/49/28/45/331492845.db2.gz JOBGAZBDRXNGTO-CYBMUJFWSA-N -1 0 309.321 3.005 50 0 DGAARM Cc1cc(F)ccc1-c1cnc2c(Cl)c(C(=O)[O-])nn2c1 ZINC000534640783 334310993 /nfs/dbraw/zinc/31/09/93/334310993.db2.gz WFTHUQWHGUYLKD-UHFFFAOYSA-N -1 0 305.696 3.195 50 0 DGAARM Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(/C#N)C(=O)[O-] ZINC000071793190 545708828 /nfs/dbraw/zinc/70/88/28/545708828.db2.gz YARMSLTXAIXAEE-QPEQYQDCSA-N -1 0 315.760 3.193 50 0 DGAARM CCOC(=O)C=C([O-])c1cc2cc(OC)c(OC)cc2s1 ZINC000216699053 546262586 /nfs/dbraw/zinc/26/25/86/546262586.db2.gz ILVCLFNAQUODEA-UHFFFAOYSA-N -1 0 308.355 3.054 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2cccc(F)c2)[C@H]1C(=O)[O-] ZINC000221031085 546265427 /nfs/dbraw/zinc/26/54/27/546265427.db2.gz ZIKWSBOIRBANGX-OCCSQVGLSA-N -1 0 323.364 3.078 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)N1CCCCCCC1)c1ccccc1 ZINC000316635202 546459346 /nfs/dbraw/zinc/45/93/46/546459346.db2.gz NRRDGDORAGZULL-OAHLLOKOSA-N -1 0 304.390 3.178 50 0 DGAARM Cc1ccc(C)c(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000325418493 546478832 /nfs/dbraw/zinc/47/88/32/546478832.db2.gz WEUIWPBHADJBPL-KRWDZBQOSA-N -1 0 323.392 3.451 50 0 DGAARM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000668275183 547434278 /nfs/dbraw/zinc/43/42/78/547434278.db2.gz URVGPPVRICXGFN-JSGCOSHPSA-N -1 0 305.374 3.227 50 0 DGAARM O=C([O-])c1c(-c2ccc(Br)o2)noc1C(F)F ZINC000675058277 548149054 /nfs/dbraw/zinc/14/90/54/548149054.db2.gz ZNDCRAZLSLQXLQ-UHFFFAOYSA-N -1 0 308.034 3.333 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)NC[C@H]1CCCc2ccccc21 ZINC000262134475 655786320 /nfs/dbraw/zinc/78/63/20/655786320.db2.gz HULHNPMYPSPCRK-MRXNPFEDSA-N -1 0 323.392 3.164 50 0 DGAARM [O-]c1ccccc1-c1nc2ccccc2c(NC[C@H]2CCOC2)n1 ZINC000004307472 656249166 /nfs/dbraw/zinc/24/91/66/656249166.db2.gz DTZQKCAUVSNCFL-CYBMUJFWSA-N -1 0 321.380 3.451 50 0 DGAARM Cc1ccc([C@H](NC(=O)CCc2cccs2)C(=O)[O-])cc1C ZINC000262996130 658087711 /nfs/dbraw/zinc/08/77/11/658087711.db2.gz OMKSQQWHBMMPSN-INIZCTEOSA-N -1 0 317.410 3.240 50 0 DGAARM O=C([O-])/C=C/CC(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000044980388 658933143 /nfs/dbraw/zinc/93/31/43/658933143.db2.gz CNFPCHMSANGDOR-ORCRQEGFSA-N -1 0 317.366 3.297 50 0 DGAARM COc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1C#N ZINC000075106271 661915406 /nfs/dbraw/zinc/91/54/06/661915406.db2.gz RPACFBIGGIUNSX-XOKGJFMYSA-N -1 0 312.350 3.292 50 0 DGAARM CC(C)(C)C[C@H](Nc1cnc(C(=O)[O-])cn1)c1cccnc1 ZINC001506417890 1186225811 /nfs/dbraw/zinc/22/58/11/1186225811.db2.gz CFRRTJYMQFZHRW-LBPRGKRZSA-N -1 0 300.362 3.159 50 0 DGAARM O=C([O-])c1cc(Br)cnc1Oc1cccc(F)c1 ZINC000050042551 1194571911 /nfs/dbraw/zinc/57/19/11/1194571911.db2.gz DQBUZPFWGRKVEW-UHFFFAOYSA-N -1 0 312.094 3.474 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)C[C@H]2CCc3ccccc32)s1 ZINC000095505756 185375244 /nfs/dbraw/zinc/37/52/44/185375244.db2.gz DGMBWVQJQLHLAN-GFCCVEGCSA-N -1 0 315.394 3.183 50 0 DGAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000097014498 185397102 /nfs/dbraw/zinc/39/71/02/185397102.db2.gz VAQSOOQLSMKXAL-UHFFFAOYSA-N -1 0 301.317 3.440 50 0 DGAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000097018271 185397883 /nfs/dbraw/zinc/39/78/83/185397883.db2.gz QFWSUFHDXSPXNA-BLLLJJGKSA-N -1 0 317.410 3.259 50 0 DGAARM Cc1ccc(F)cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000097018953 185398056 /nfs/dbraw/zinc/39/80/56/185398056.db2.gz NBTCRDOKUKHDJF-UHFFFAOYSA-N -1 0 301.317 3.404 50 0 DGAARM CCOC(=O)C=C([O-])c1ccc(Cl)c(Br)c1 ZINC000097054400 185404362 /nfs/dbraw/zinc/40/43/62/185404362.db2.gz IHOADSQFWLZGMH-UHFFFAOYSA-N -1 0 305.555 3.238 50 0 DGAARM CNC(=O)c1cnc(/C=C/c2cccc(C(=O)[O-])c2Cl)s1 ZINC000170605178 197787442 /nfs/dbraw/zinc/78/74/42/197787442.db2.gz YGSQTUOWEXIXFC-AATRIKPKSA-N -1 0 322.773 3.025 50 0 DGAARM C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000170625923 197795461 /nfs/dbraw/zinc/79/54/61/197795461.db2.gz ZIPFLVNUPROOQC-ZUEVXXBESA-N -1 0 317.429 3.261 50 0 DGAARM C/C(=C/C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C1CC1 ZINC000236619997 201938063 /nfs/dbraw/zinc/93/80/63/201938063.db2.gz DTXZPDDTDPMYOM-LUAWRHEFSA-N -1 0 323.339 3.124 50 0 DGAARM Cc1noc(C)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000084025628 192396463 /nfs/dbraw/zinc/39/64/63/192396463.db2.gz NYRVNPXZQBMGBL-UHFFFAOYSA-N -1 0 320.292 3.111 50 0 DGAARM O=C([O-])[C@]1(C/C=C/c2ccccc2)CCCN(c2ncccn2)C1 ZINC000071754356 191024727 /nfs/dbraw/zinc/02/47/27/191024727.db2.gz SYUFOIKIQMYSCF-ROSSNEFBSA-N -1 0 323.396 3.251 50 0 DGAARM CCCc1cncnc1N1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072161871 191062217 /nfs/dbraw/zinc/06/22/17/191062217.db2.gz PWEAALZKTKRMLC-AWEZNQCLSA-N -1 0 311.385 3.121 50 0 DGAARM O=C([O-])CNc1cc(-c2ccc3ccccc3n2)c2cc[nH]c2n1 ZINC000072174144 191069172 /nfs/dbraw/zinc/06/91/72/191069172.db2.gz VPCZENOBZHDZCJ-UHFFFAOYSA-N -1 0 318.336 3.275 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000000116288 180697616 /nfs/dbraw/zinc/69/76/16/180697616.db2.gz KTGRLSXXHCQYOI-NSHDSACASA-N -1 0 309.774 3.347 50 0 DGAARM Cc1c(C)c2ccc(OCc3ccc(C(=O)[O-])o3)cc2oc1=O ZINC000000200930 180723351 /nfs/dbraw/zinc/72/33/51/180723351.db2.gz FREFMQGLULKGGU-UHFFFAOYSA-N -1 0 314.293 3.280 50 0 biogenic DGAARM Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001018715 180841765 /nfs/dbraw/zinc/84/17/65/180841765.db2.gz CVDDOBPIZFCDKN-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000003049252 180978756 /nfs/dbraw/zinc/97/87/56/180978756.db2.gz MUPYQIGKCVOPDL-UHFFFAOYSA-N -1 0 309.774 3.343 50 0 DGAARM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000003347780 181009950 /nfs/dbraw/zinc/00/99/50/181009950.db2.gz PDQLFSAZHHABNU-UHFFFAOYSA-N -1 0 315.753 3.289 50 0 DGAARM O=C([O-])c1ccccc1NC(=O)COc1ccccc1Cl ZINC000003892212 181052887 /nfs/dbraw/zinc/05/28/87/181052887.db2.gz GIYULCTVBJTGII-UHFFFAOYSA-N -1 0 305.717 3.056 50 0 DGAARM O=C([O-])CS[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000004108795 181074838 /nfs/dbraw/zinc/07/48/38/181074838.db2.gz RYYSBQYTDNNEGK-OAHLLOKOSA-N -1 0 319.407 3.221 50 0 DGAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CCCCC2)cc1 ZINC000004197239 181084573 /nfs/dbraw/zinc/08/45/73/181084573.db2.gz UNUGZVUJEWGPEL-DOTOQJQBSA-N -1 0 317.385 3.002 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc(F)c1)C(=O)[O-] ZINC000004240956 181087522 /nfs/dbraw/zinc/08/75/22/181087522.db2.gz ZOWFREFSRRIXOC-QGZVFWFLSA-N -1 0 323.364 3.223 50 0 DGAARM C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004600135 181128699 /nfs/dbraw/zinc/12/86/99/181128699.db2.gz JKMKFVJLYBZSHJ-IMJJTQAJSA-N -1 0 303.402 3.015 50 0 DGAARM O=C([O-])CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004681518 181136271 /nfs/dbraw/zinc/13/62/71/181136271.db2.gz QHWQEQFCGHLBRH-UHFFFAOYSA-N -1 0 313.353 3.459 50 0 DGAARM O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)c(Cl)c1 ZINC000004809358 181154412 /nfs/dbraw/zinc/15/44/12/181154412.db2.gz NVFGMSPKJXLVDN-UHFFFAOYSA-N -1 0 318.181 3.500 50 0 DGAARM Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000004826733 181157980 /nfs/dbraw/zinc/15/79/80/181157980.db2.gz YLMQAIPYZOSSFQ-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000004826771 181158170 /nfs/dbraw/zinc/15/81/70/181158170.db2.gz ZNLCEPJDHBSVKN-CQSZACIVSA-N -1 0 318.760 3.157 50 0 DGAARM O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000067868914 432043679 /nfs/dbraw/zinc/04/36/79/432043679.db2.gz BVYKRYSUMWEUGP-QGZVFWFLSA-N -1 0 323.392 3.056 50 0 DGAARM O=C([O-])C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000066323336 304042056 /nfs/dbraw/zinc/04/20/56/304042056.db2.gz OTVNMAFWDRWJDZ-UHFFFAOYSA-N -1 0 308.687 3.055 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000004884294 181167971 /nfs/dbraw/zinc/16/79/71/181167971.db2.gz YDHHTJGYDGAEBE-UHFFFAOYSA-N -1 0 320.292 3.111 50 0 DGAARM O=C([O-])c1ccc(Cl)cc1NC=C1C(=O)Nc2ccccc21 ZINC000004917898 181172870 /nfs/dbraw/zinc/17/28/70/181172870.db2.gz BLMNQHWKMFYTQD-WQLSENKSSA-N -1 0 314.728 3.443 50 0 DGAARM CCOc1cc(S(=O)(=O)[N-]c2ncccc2C)c(C)cc1C ZINC000004970492 181181185 /nfs/dbraw/zinc/18/11/85/181181185.db2.gz XKOPRDBEZSWDIZ-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM O=C([O-])c1cc(NCc2ccc3c(c2)OCO3)ccc1Cl ZINC000004999813 181188238 /nfs/dbraw/zinc/18/82/38/181188238.db2.gz BMIYEVAGCCWWIP-UHFFFAOYSA-N -1 0 305.717 3.379 50 0 DGAARM O=C([O-])[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000005428532 181242177 /nfs/dbraw/zinc/24/21/77/181242177.db2.gz AOGOMDQWMPGWLX-SFHVURJKSA-N -1 0 322.364 3.043 50 0 DGAARM COc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000005686114 181271967 /nfs/dbraw/zinc/27/19/67/181271967.db2.gz UHCWFUYTNWQEEI-OLZOCXBDSA-N -1 0 303.358 3.081 50 0 DGAARM CC[C@](C)(NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(C)cs1 ZINC000180017760 199107816 /nfs/dbraw/zinc/10/78/16/199107816.db2.gz STFMPNMBMUJILY-MKBNYLNASA-N -1 0 324.446 3.084 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccsc2)C1 ZINC000180322505 199145294 /nfs/dbraw/zinc/14/52/94/199145294.db2.gz RVIPYTVVWGLLIC-HUUCEWRRSA-N -1 0 315.394 3.079 50 0 DGAARM O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccsc2)C1 ZINC000180322490 199145673 /nfs/dbraw/zinc/14/56/73/199145673.db2.gz RVIPYTVVWGLLIC-GJZGRUSLSA-N -1 0 315.394 3.079 50 0 DGAARM COc1ccc(Oc2coc3cc([O-])cc(O)c3c2=O)cc1 ZINC000005910963 181295582 /nfs/dbraw/zinc/29/55/82/181295582.db2.gz CQMQUCXHHMUNAB-UHFFFAOYSA-N -1 0 300.266 3.005 50 0 biogenic DGAARM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000237531003 202272893 /nfs/dbraw/zinc/27/28/93/202272893.db2.gz GRVQKZLFNJNEFN-MNOVXSKESA-N -1 0 303.314 3.184 50 0 DGAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237707739 202332989 /nfs/dbraw/zinc/33/29/89/202332989.db2.gz KCMUXZDCMNWYIH-AWEZNQCLSA-N -1 0 318.417 3.157 50 0 DGAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237704466 202333896 /nfs/dbraw/zinc/33/38/96/202333896.db2.gz KCMUXZDCMNWYIH-CQSZACIVSA-N -1 0 318.417 3.157 50 0 DGAARM Cc1ccc(CCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000237691642 202330096 /nfs/dbraw/zinc/33/00/96/202330096.db2.gz VWCJDKVTIGGNHJ-AWEZNQCLSA-N -1 0 323.458 3.483 50 0 DGAARM O=S(=O)([O-])c1cccnc1Nc1c(Cl)cccc1Cl ZINC000006017480 181306029 /nfs/dbraw/zinc/30/60/29/181306029.db2.gz WLGWVYUEDPSKLN-UHFFFAOYSA-N -1 0 319.169 3.379 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc2c(c1)OCO2 ZINC000006699078 181372042 /nfs/dbraw/zinc/37/20/42/181372042.db2.gz LQAZRQYXGODROI-UHFFFAOYSA-N -1 0 314.297 3.066 50 0 DGAARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000006698849 181372059 /nfs/dbraw/zinc/37/20/59/181372059.db2.gz HAUOKWGHGKRIHX-LBPRGKRZSA-N -1 0 307.419 3.217 50 0 DGAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000006706455 181375372 /nfs/dbraw/zinc/37/53/72/181375372.db2.gz UCIDJRUJIJNRSF-UHFFFAOYSA-N -1 0 314.794 3.426 50 0 DGAARM Cc1nnc2c(Nc3ccc(C(=O)[O-])cc3)nc3ccccc3n12 ZINC000006781822 181387717 /nfs/dbraw/zinc/38/77/17/181387717.db2.gz OLJLCMNUJDFREI-UHFFFAOYSA-N -1 0 319.324 3.028 50 0 DGAARM Cn1ccnc1-c1c(-c2ccccc2)ncn1CCCCC(=O)[O-] ZINC000091650147 193085356 /nfs/dbraw/zinc/08/53/56/193085356.db2.gz DDGJXGYABJDQRR-UHFFFAOYSA-N -1 0 324.384 3.206 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nccc2ccccc21 ZINC000237981384 304142811 /nfs/dbraw/zinc/14/28/11/304142811.db2.gz PIOQMYFGRMKRHW-BPUTZDHNSA-N -1 0 324.380 3.093 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000238850642 304144117 /nfs/dbraw/zinc/14/41/17/304144117.db2.gz CGFIVURAFDUSHQ-YUTCNCBUSA-N -1 0 307.777 3.198 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000238852624 304144364 /nfs/dbraw/zinc/14/43/64/304144364.db2.gz GPMRWWDIUGJBIG-GDLCADMTSA-N -1 0 307.777 3.198 50 0 DGAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262681235 203380121 /nfs/dbraw/zinc/38/01/21/203380121.db2.gz WEMSVDWKNIKHHG-LBPRGKRZSA-N -1 0 319.744 3.289 50 0 DGAARM C[C@H](C(=O)[O-])N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000095970101 193467100 /nfs/dbraw/zinc/46/71/00/193467100.db2.gz XTIAJTLPVLXFQY-MRVPVSSYSA-N -1 0 324.789 3.009 50 0 DGAARM C[C@H](CN(C(=O)c1cc2c(cccc2F)s1)C1CC1)C(=O)[O-] ZINC000095991928 193482756 /nfs/dbraw/zinc/48/27/56/193482756.db2.gz WZAMNLBORNACDY-SECBINFHSA-N -1 0 321.373 3.366 50 0 DGAARM COc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000008768322 181583982 /nfs/dbraw/zinc/58/39/82/181583982.db2.gz QFIOEILCPHUYPH-SFHVURJKSA-N -1 0 313.353 3.066 50 0 DGAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCCC2 ZINC000009550263 181629275 /nfs/dbraw/zinc/62/92/75/181629275.db2.gz NUBUYHVANAQQRL-LBPRGKRZSA-N -1 0 307.415 3.096 50 0 DGAARM C[C@H](Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)C(=O)[O-] ZINC000011800941 181706249 /nfs/dbraw/zinc/70/62/49/181706249.db2.gz ORWAAQBZVLXILN-NSHDSACASA-N -1 0 310.305 3.312 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC000015446002 182002298 /nfs/dbraw/zinc/00/22/98/182002298.db2.gz BNUHNLZVJMQDJJ-KGLIPLIRSA-N -1 0 305.374 3.112 50 0 DGAARM O=C([O-])[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000261830380 304172689 /nfs/dbraw/zinc/17/26/89/304172689.db2.gz XOWCCGAQKBETLT-DLBZAZTESA-N -1 0 309.365 3.049 50 0 DGAARM O=C([O-])CCCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000015906851 182023532 /nfs/dbraw/zinc/02/35/32/182023532.db2.gz MXDNHABTSLQECK-VEJZVKIUSA-N -1 0 317.366 3.144 50 0 DGAARM C[C@H](NC(=O)c1ccccc1)c1n[n-]c(=S)n1-c1ccccc1 ZINC000016034363 182030215 /nfs/dbraw/zinc/03/02/15/182030215.db2.gz QLNHUSWQXWMCEH-LBPRGKRZSA-N -1 0 324.409 3.421 50 0 DGAARM CCCN(C(=O)c1ccncc1)c1ccc(Cl)cc1C(=O)[O-] ZINC000016623865 182053965 /nfs/dbraw/zinc/05/39/65/182053965.db2.gz VDUSTXFIVJKQFB-UHFFFAOYSA-N -1 0 318.760 3.490 50 0 DGAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1cccs1 ZINC000016730405 182059009 /nfs/dbraw/zinc/05/90/09/182059009.db2.gz NCEXRVYNIKKRKK-UHFFFAOYSA-N -1 0 323.317 3.448 50 0 DGAARM COc1ccc(CCNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000020565625 182233445 /nfs/dbraw/zinc/23/34/45/182233445.db2.gz AJNNDOPJGPROEH-UHFFFAOYSA-N -1 0 305.761 3.027 50 0 DGAARM Cc1nn2c(nc(-c3ccccc3F)cc2C(=O)[O-])c1Cl ZINC000020616928 182239125 /nfs/dbraw/zinc/23/91/25/182239125.db2.gz YHFXWTLZRZGSHU-UHFFFAOYSA-N -1 0 305.696 3.195 50 0 DGAARM Cc1ccsc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000024574446 182383688 /nfs/dbraw/zinc/38/36/88/182383688.db2.gz NRMSAFQVCXWMAP-UHFFFAOYSA-N -1 0 305.428 3.399 50 0 DGAARM O=C(Cc1csc(-c2ccco2)n1)[N-]OCc1ccccc1 ZINC000025039706 182399728 /nfs/dbraw/zinc/39/97/28/182399728.db2.gz LUNKRZUORXAKTD-UHFFFAOYSA-N -1 0 314.366 3.194 50 0 DGAARM COc1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000024942930 182395086 /nfs/dbraw/zinc/39/50/86/182395086.db2.gz XKMBPKMMNLWUSN-UHFFFAOYSA-N -1 0 304.396 3.286 50 0 DGAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263528586 304186019 /nfs/dbraw/zinc/18/60/19/304186019.db2.gz LHZXDLZOPHQTEY-SNVBAGLBSA-N -1 0 321.682 3.048 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000029010781 182548460 /nfs/dbraw/zinc/54/84/60/182548460.db2.gz KXIHXGDYXGUWMP-UBHSHLNASA-N -1 0 313.353 3.277 50 0 DGAARM CCc1cc2c(nc(CC)nc2N[C@H](C(=O)[O-])C(C)C)s1 ZINC000041090310 183164058 /nfs/dbraw/zinc/16/40/58/183164058.db2.gz CKXAIVRFGFKLPA-LBPRGKRZSA-N -1 0 307.419 3.337 50 0 DGAARM O=C([O-])c1cc(/C=C/c2csnn2)nc2cc(F)ccc21 ZINC000044026683 183392918 /nfs/dbraw/zinc/39/29/18/183392918.db2.gz JWHVZZFMLAUBFP-NSCUHMNNSA-N -1 0 301.302 3.094 50 0 DGAARM O=C([O-])c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn21 ZINC000020605199 304219830 /nfs/dbraw/zinc/21/98/30/304219830.db2.gz XVFIHFPBNFQEMQ-UHFFFAOYSA-N -1 0 305.293 3.355 50 0 DGAARM O=C([O-])c1cc(C(F)(F)F)ccc1I ZINC000038540336 304223955 /nfs/dbraw/zinc/22/39/55/304223955.db2.gz NRBYTEOMUOSDNU-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM COc1ccccc1NC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000057658259 184045063 /nfs/dbraw/zinc/04/50/63/184045063.db2.gz SIJWNQUWKPGGLA-AWEZNQCLSA-N -1 0 313.353 3.282 50 0 DGAARM O=C([O-])c1cc2ccccc2cc1N1C(=O)c2ccccc2C1=O ZINC000004168961 304229596 /nfs/dbraw/zinc/22/95/96/304229596.db2.gz VCNQWQACYLHGCB-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM O=C(N=c1[n-]nc(-c2ccccc2)s1)OCC(F)(F)F ZINC000060274876 184145354 /nfs/dbraw/zinc/14/53/54/184145354.db2.gz PMSGEOLYLKYLQC-UHFFFAOYSA-N -1 0 303.265 3.316 50 0 DGAARM Cc1cccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)c1C ZINC000065215173 184314684 /nfs/dbraw/zinc/31/46/84/184314684.db2.gz ZAFZFGLGFHZLRV-UHFFFAOYSA-N -1 0 314.366 3.164 50 0 DGAARM CC(C)c1cc([C@@H]2CCCN2Cc2ncccc2C(=O)[O-])no1 ZINC000065501120 184355459 /nfs/dbraw/zinc/35/54/59/184355459.db2.gz NZSYJZCHDBKOCF-HNNXBMFYSA-N -1 0 315.373 3.228 50 0 DGAARM O=C([O-])c1ccc(C(=O)NC2(c3nccs3)CCCC2)s1 ZINC000097017775 304236682 /nfs/dbraw/zinc/23/66/82/304236682.db2.gz VBQNXLHAXDCGNN-UHFFFAOYSA-N -1 0 322.411 3.102 50 0 DGAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000238053786 304238654 /nfs/dbraw/zinc/23/86/54/304238654.db2.gz XBZVKLBCFBQACP-NEPJUHHUSA-N -1 0 315.291 3.236 50 0 DGAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1ccccc1 ZINC000012870233 304253907 /nfs/dbraw/zinc/25/39/07/304253907.db2.gz LAMFLTUUFCDXCP-JLHYYAGUSA-N -1 0 318.332 3.039 50 0 DGAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C/c1ccccc1 ZINC000097993519 304253999 /nfs/dbraw/zinc/25/39/99/304253999.db2.gz LAMFLTUUFCDXCP-RAXLEYEMSA-N -1 0 318.332 3.039 50 0 DGAARM C[C@@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC000262858776 296382747 /nfs/dbraw/zinc/38/27/47/296382747.db2.gz VDHFHFCZORFQNM-GFCCVEGCSA-N -1 0 310.353 3.324 50 0 DGAARM O=c1nc[n-]c2cc(-c3ccc(Br)cc3)sc21 ZINC000015924021 285202119 /nfs/dbraw/zinc/20/21/19/285202119.db2.gz CTZPYIQFWUGOTD-UHFFFAOYSA-N -1 0 307.172 3.414 50 0 DGAARM CC[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000238899649 257260187 /nfs/dbraw/zinc/26/01/87/257260187.db2.gz GYNOORPTNAEXOA-VNQPRFMTSA-N -1 0 303.402 3.187 50 0 DGAARM Cc1cc([O-])c(C2=NCCS[C@H](c3ccsc3)C2)c(=O)o1 ZINC000000198620 291969524 /nfs/dbraw/zinc/96/95/24/291969524.db2.gz YALIGXAHTOBHLV-ZDUSSCGKSA-N -1 0 321.423 3.383 50 0 DGAARM O=C([O-])c1c2c(sc1NC(=O)c1ccc(F)cn1)CCCC2 ZINC000317633410 400154478 /nfs/dbraw/zinc/15/44/78/400154478.db2.gz OYBZVUKIUKBSGN-UHFFFAOYSA-N -1 0 320.345 3.112 50 0 DGAARM Cc1ccc(CN(C(=O)Cc2cccc(C(=O)[O-])c2)C(C)C)o1 ZINC000097231568 400284879 /nfs/dbraw/zinc/28/48/79/400284879.db2.gz NUTDGZKZKBEOGH-UHFFFAOYSA-N -1 0 315.369 3.266 50 0 DGAARM O=C(NCc1cc2ccccc2[nH]1)c1cc(F)c(F)c([O-])c1F ZINC000097374757 400285902 /nfs/dbraw/zinc/28/59/02/400285902.db2.gz NHXYVAUIXYQNLK-UHFFFAOYSA-N -1 0 320.270 3.221 50 0 DGAARM C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nccs1 ZINC000073439922 400450369 /nfs/dbraw/zinc/45/03/69/400450369.db2.gz OUTHXFZEMYFVKP-ZETCQYMHSA-N -1 0 305.384 3.438 50 0 DGAARM Cc1cc(-c2ccncc2)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000075250427 400565567 /nfs/dbraw/zinc/56/55/67/400565567.db2.gz JKYGTXNSWBJGDA-UHFFFAOYSA-N -1 0 309.350 3.214 50 0 DGAARM COC(=O)c1ccc(/C=C/c2nc(/C=C/C(=O)[O-])cs2)cc1 ZINC000170617532 400767429 /nfs/dbraw/zinc/76/74/29/400767429.db2.gz KQSKZEROBOMPCX-QDJBHUIFSA-N -1 0 315.350 3.198 50 0 DGAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 ZINC000195552115 400924329 /nfs/dbraw/zinc/92/43/29/400924329.db2.gz PJERWQZEPDGDBF-AWEZNQCLSA-N -1 0 321.392 3.108 50 0 DGAARM Cc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c1 ZINC000630283762 401232568 /nfs/dbraw/zinc/23/25/68/401232568.db2.gz UGIBACVKPRZDKU-IJEWVQPXSA-N -1 0 301.386 3.019 50 0 DGAARM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000630294015 401237159 /nfs/dbraw/zinc/23/71/59/401237159.db2.gz DXTXOLQGPPWEPB-XJKCOSOUSA-N -1 0 324.380 3.187 50 0 DGAARM O=C([O-])C1CCC(NC(=O)c2cscc2C(F)(F)F)CC1 ZINC000621535833 401249297 /nfs/dbraw/zinc/24/92/97/401249297.db2.gz QBURKAPBEFUSJM-UHFFFAOYSA-N -1 0 321.320 3.140 50 0 DGAARM Cc1ccc2c(c1)N(C(=O)c1n[n-]c3ccccc3c1=O)CCC2 ZINC000075140977 292333515 /nfs/dbraw/zinc/33/35/15/292333515.db2.gz FPBGHPJSEDWFTQ-UHFFFAOYSA-N -1 0 319.364 3.237 50 0 DGAARM Cc1cc(Cl)cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000133818532 196338254 /nfs/dbraw/zinc/33/82/54/196338254.db2.gz KOHXVXUVAWTKKC-LBPRGKRZSA-N -1 0 309.793 3.365 50 0 DGAARM CC(C)(C)OC(=O)N1CCc2cc(Cl)ccc2[C@@H]1C(=O)[O-] ZINC000002527068 278413984 /nfs/dbraw/zinc/41/39/84/278413984.db2.gz KPXNQGBQXZXALA-GFCCVEGCSA-N -1 0 311.765 3.259 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000000102490 431126510 /nfs/dbraw/zinc/12/65/10/431126510.db2.gz HYZNPJPJBGTYEY-UHFFFAOYSA-N -1 0 320.395 3.106 50 0 DGAARM Cc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000000105127 431124653 /nfs/dbraw/zinc/12/46/53/431124653.db2.gz AATJFFJZXDUIAL-DLBZAZTESA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1ccc2nc(NCCC(=O)[O-])nc(-c3ccccc3)c2c1 ZINC000000176082 431140244 /nfs/dbraw/zinc/14/02/44/431140244.db2.gz DTPLBMZQZYRCFA-UHFFFAOYSA-N -1 0 307.353 3.492 50 0 DGAARM C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000000319116 431165678 /nfs/dbraw/zinc/16/56/78/431165678.db2.gz GTYSZZAOPRYUBV-JTQLQIEISA-N -1 0 319.744 3.444 50 0 DGAARM CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)[O-] ZINC000000400392 431175165 /nfs/dbraw/zinc/17/51/65/431175165.db2.gz URYHZOOIDDGVTP-FOIPXRHGSA-N -1 0 322.360 3.158 50 0 DGAARM CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1 ZINC000000469712 431188558 /nfs/dbraw/zinc/18/85/58/431188558.db2.gz JJQTZUPVPDXNFH-UHFFFAOYSA-N -1 0 305.399 3.449 50 0 DGAARM O=C([O-])CCC(=O)n1c(Cc2ccccc2)nc2ccccc21 ZINC000000519963 431195376 /nfs/dbraw/zinc/19/53/76/431195376.db2.gz DAUXZJDKTUGLCI-UHFFFAOYSA-N -1 0 308.337 3.132 50 0 DGAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000000582897 431203946 /nfs/dbraw/zinc/20/39/46/431203946.db2.gz ULMLOIAVGOMPKR-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000000612060 431205602 /nfs/dbraw/zinc/20/56/02/431205602.db2.gz OFQCEAOEZJFRKT-UHFFFAOYSA-N -1 0 321.398 3.325 50 0 DGAARM O=C(Nc1cccc(C(=O)Nc2ccccc2O)c1)c1ccco1 ZINC000000802314 431208006 /nfs/dbraw/zinc/20/80/06/431208006.db2.gz HKBPHZDGOQOFRZ-UHFFFAOYSA-N -1 0 322.320 3.490 50 0 DGAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1 ZINC000001200254 431216036 /nfs/dbraw/zinc/21/60/36/431216036.db2.gz IKSKJCFZFRURFG-UHFFFAOYSA-N -1 0 304.371 3.312 50 0 DGAARM O=c1[n-]c(=S)c(SCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000001907414 431241921 /nfs/dbraw/zinc/24/19/21/431241921.db2.gz AHILHJWYWUXVHC-UHFFFAOYSA-N -1 0 320.226 3.427 50 0 DGAARM C[C@@H](Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)C(=O)[O-] ZINC000002383348 431251184 /nfs/dbraw/zinc/25/11/84/431251184.db2.gz ORWAAQBZVLXILN-LLVKDONJSA-N -1 0 310.305 3.312 50 0 DGAARM O=c1cc([O-])c2sc(SCc3cccc(F)c3)nc2[nH]1 ZINC000004625760 431299978 /nfs/dbraw/zinc/29/99/78/431299978.db2.gz UYHWMIRISNHPMG-UHFFFAOYSA-N -1 0 308.359 3.122 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000002689525 431263484 /nfs/dbraw/zinc/26/34/84/431263484.db2.gz KRVKSWSTGNFTME-CQSZACIVSA-N -1 0 303.745 3.286 50 0 DGAARM O=c1c2c([n-]c(=S)n1C[C@H]1CCCO1)sc1c2CCCC1 ZINC000006279546 431315953 /nfs/dbraw/zinc/31/59/53/431315953.db2.gz BQTGCYKYZJCORG-SECBINFHSA-N -1 0 322.455 3.178 50 0 DGAARM CC(=O)c1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000002858925 431273097 /nfs/dbraw/zinc/27/30/97/431273097.db2.gz BBJDXGHWFUKGHH-UHFFFAOYSA-N -1 0 312.325 3.160 50 0 DGAARM CCCc1nnc(SCc2cccc(C(=O)[O-])c2)n1CC ZINC000007605215 431356588 /nfs/dbraw/zinc/35/65/88/431356588.db2.gz KVKCYNAGKOLRTQ-UHFFFAOYSA-N -1 0 305.403 3.241 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(F)c(F)c1 ZINC000007709495 431363366 /nfs/dbraw/zinc/36/33/66/431363366.db2.gz NQCNEVUKFGBOBT-UHFFFAOYSA-N -1 0 320.320 3.314 50 0 DGAARM Cc1n[n-]c(Nc2ccccc2Sc2ccccc2)nc1=O ZINC000008997484 431420537 /nfs/dbraw/zinc/42/05/37/431420537.db2.gz UKILUQNXCRTSCI-UHFFFAOYSA-N -1 0 310.382 3.368 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000008699157 431406068 /nfs/dbraw/zinc/40/60/68/431406068.db2.gz MQCLXWDVGKUKHB-AWEZNQCLSA-N -1 0 301.342 3.490 50 0 DGAARM COc1ccccc1-n1[n-]c(C)c(Cc2cccc(C)c2)c1=O ZINC000009939743 431450676 /nfs/dbraw/zinc/45/06/76/431450676.db2.gz LAENCKQEARASJZ-UHFFFAOYSA-N -1 0 308.381 3.382 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000075351867 431470115 /nfs/dbraw/zinc/47/01/15/431470115.db2.gz PACYZDROMMKANL-UHFFFAOYSA-N -1 0 319.411 3.247 50 0 DGAARM O=c1cc(CSc2ccccn2)nc(Nc2ccccc2)[nH]1 ZINC000009264638 431427361 /nfs/dbraw/zinc/42/73/61/431427361.db2.gz KOKRLEBMYHDGIT-UHFFFAOYSA-N -1 0 310.382 3.201 50 0 DGAARM Cc1nc2cc(NC(=O)CC3(C(=O)[O-])CCCC3)ccc2o1 ZINC000012685962 431522334 /nfs/dbraw/zinc/52/23/34/431522334.db2.gz GXYXEQNNBHSOBA-UHFFFAOYSA-N -1 0 302.330 3.110 50 0 DGAARM Cc1[nH]c(/C=C2/C(=O)Nc3ccccc32)c(C)c1CCC(=O)[O-] ZINC000012404521 431505562 /nfs/dbraw/zinc/50/55/62/431505562.db2.gz NHFDRBXTEDBWCZ-NTEUORMPSA-N -1 0 310.353 3.141 50 0 investigational DGAARM CC(/C=C/c1ccc(I)cc1)=C\C(=O)[O-] ZINC000012436862 431510171 /nfs/dbraw/zinc/51/01/71/431510171.db2.gz UHNBRYDJWLCHLB-VHYPUYLQSA-N -1 0 314.122 3.335 50 0 DGAARM C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)P(=O)([O-])[O-])c1ccccc1 ZINC000012998752 431541251 /nfs/dbraw/zinc/54/12/51/431541251.db2.gz BYMKZRBMSWTANU-MLGOLLRUSA-N -1 0 323.304 3.395 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000013167227 431548504 /nfs/dbraw/zinc/54/85/04/431548504.db2.gz BLZUYPAKGJDSHF-UHFFFAOYSA-N -1 0 309.365 3.290 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000013224444 431549790 /nfs/dbraw/zinc/54/97/90/431549790.db2.gz WYHUVOXUTOXZHS-CQSZACIVSA-N -1 0 309.321 3.379 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccsc1)c1ccccc1Cl ZINC000013259071 431552453 /nfs/dbraw/zinc/55/24/53/431552453.db2.gz XBEDLUNPEXYLTP-GFCCVEGCSA-N -1 0 309.774 3.347 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)s1)c1cccs1 ZINC000013388972 431553964 /nfs/dbraw/zinc/55/39/64/431553964.db2.gz UKKXXRKPFUGJEJ-SSDOTTSWSA-N -1 0 315.803 3.409 50 0 DGAARM Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000013390916 431554084 /nfs/dbraw/zinc/55/40/84/431554084.db2.gz WOCARLVGJGMHLH-UHFFFAOYSA-N -1 0 313.353 3.328 50 0 DGAARM Cc1c2ccccc2sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013425672 431554342 /nfs/dbraw/zinc/55/43/42/431554342.db2.gz SYBUOGWHAMEHFH-UHFFFAOYSA-N -1 0 303.383 3.147 50 0 DGAARM CCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000014965014 431597488 /nfs/dbraw/zinc/59/74/88/431597488.db2.gz LZDCSXYOKAIIJO-UHFFFAOYSA-N -1 0 319.382 3.138 50 0 in-vivo DGAARM Cc1cc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2[nH]1 ZINC000031721947 431764353 /nfs/dbraw/zinc/76/43/53/431764353.db2.gz OCDVKTBQJXYQOW-UHFFFAOYSA-N -1 0 304.346 3.416 50 0 DGAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000084025616 431812862 /nfs/dbraw/zinc/81/28/62/431812862.db2.gz JQVZOSXKYGOADW-UHFFFAOYSA-N -1 0 320.292 3.111 50 0 DGAARM O=C1OCCC1=C([O-])c1cc2ccccc2n1Cc1ccccc1 ZINC000085421498 431839872 /nfs/dbraw/zinc/83/98/72/431839872.db2.gz BYNUCGNQWDQAOI-INIZCTEOSA-N -1 0 319.360 3.435 50 0 DGAARM Cc1csc2nc(C)c(CNc3ccc(C(=O)[O-])cc3)n12 ZINC000037414530 431846571 /nfs/dbraw/zinc/84/65/71/431846571.db2.gz WFLYDEBHGJSGDX-UHFFFAOYSA-N -1 0 301.371 3.323 50 0 DGAARM Cc1nc(C(C)C)sc1C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000089558839 431870748 /nfs/dbraw/zinc/87/07/48/431870748.db2.gz HUOKGINSMQUTRF-UHFFFAOYSA-N -1 0 312.435 3.194 50 0 DGAARM Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000035571350 431831760 /nfs/dbraw/zinc/83/17/60/431831760.db2.gz FNYOAUTWNGUZLV-KGLIPLIRSA-N -1 0 305.374 3.030 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000035571157 431832125 /nfs/dbraw/zinc/83/21/25/431832125.db2.gz NISWNSOUPGGKNK-KBPBESRZSA-N -1 0 305.374 3.254 50 0 DGAARM O=C([O-])Cc1csc(-c2cc(Br)cs2)n1 ZINC000036379616 431838644 /nfs/dbraw/zinc/83/86/44/431838644.db2.gz DIWICFWGJWBALI-UHFFFAOYSA-N -1 0 304.190 3.261 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(C)c1O ZINC000047383648 431909174 /nfs/dbraw/zinc/90/91/74/431909174.db2.gz AWWCVKWDIFFJEW-UHFFFAOYSA-N -1 0 311.790 3.463 50 0 DGAARM C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000089905019 431884495 /nfs/dbraw/zinc/88/44/95/431884495.db2.gz IAIVCHBCZCLTDV-NXEZZACHSA-N -1 0 315.822 3.218 50 0 DGAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000045922938 431891685 /nfs/dbraw/zinc/89/16/85/431891685.db2.gz MCJOJEWCHGIGNR-SJORKVTESA-N -1 0 307.349 3.214 50 0 DGAARM CC(=O)Nc1c(C)ccc(NC(=O)CC(C)(C)CC(=O)[O-])c1C ZINC000055151216 431977137 /nfs/dbraw/zinc/97/71/37/431977137.db2.gz HMORBJZXWYRYSD-UHFFFAOYSA-N -1 0 320.389 3.091 50 0 DGAARM CC(C)c1nc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000095969744 431929667 /nfs/dbraw/zinc/92/96/67/431929667.db2.gz CAMHVAKNYMYFSC-JTQLQIEISA-N -1 0 318.398 3.456 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c(C)o1 ZINC000095988609 431932555 /nfs/dbraw/zinc/93/25/55/431932555.db2.gz PKPPMRQSFRTWOW-UHFFFAOYSA-N -1 0 309.391 3.009 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)[nH]1 ZINC000097035288 431956977 /nfs/dbraw/zinc/95/69/77/431956977.db2.gz FTIVEEBLFMQOJE-CYBMUJFWSA-N -1 0 320.776 3.231 50 0 DGAARM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000097035413 431957071 /nfs/dbraw/zinc/95/70/71/431957071.db2.gz SAQXEAPWOQJBJZ-LLVKDONJSA-N -1 0 320.776 3.031 50 0 DGAARM O=C(CC[C@@H]1CCOC1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097379026 431968955 /nfs/dbraw/zinc/96/89/55/431968955.db2.gz OXLJQAVPHWZOQB-MRVPVSSYSA-N -1 0 304.173 3.454 50 0 DGAARM Cc1ccc(C=CS(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000055581223 431984420 /nfs/dbraw/zinc/98/44/20/431984420.db2.gz HPGLBSWLOWBPID-MDZDMXLPSA-N -1 0 313.382 3.284 50 0 DGAARM COCc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccccc1 ZINC000102586984 431995331 /nfs/dbraw/zinc/99/53/31/431995331.db2.gz CDMXWMUWFUCGJZ-UHFFFAOYSA-N -1 0 309.369 3.127 50 0 DGAARM Cc1cc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000128527249 431996022 /nfs/dbraw/zinc/99/60/22/431996022.db2.gz OUSYKGYTPXCSAG-AWEZNQCLSA-N -1 0 309.431 3.011 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000261706347 432442230 /nfs/dbraw/zinc/44/22/30/432442230.db2.gz KMXJWCFBESRQEV-RHSMWYFYSA-N -1 0 315.413 3.210 50 0 DGAARM Cc1cccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC000262967054 432511726 /nfs/dbraw/zinc/51/17/26/432511726.db2.gz AQMZQNOGUVYKFL-MRXNPFEDSA-N -1 0 310.353 3.066 50 0 DGAARM Cc1scc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000263515719 432551695 /nfs/dbraw/zinc/55/16/95/432551695.db2.gz DPKYWGGEDHKNNL-CYBMUJFWSA-N -1 0 321.373 3.102 50 0 DGAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(C2CC2)no1 ZINC000263550477 432556573 /nfs/dbraw/zinc/55/65/73/432556573.db2.gz WDLMDLMCIXAWSP-UHFFFAOYSA-N -1 0 300.314 3.119 50 0 DGAARM CC[C@@H](NC(=O)c1cnc2c(C)cccc2c1O)c1ccncc1 ZINC000216128494 432647207 /nfs/dbraw/zinc/64/72/07/432647207.db2.gz WHGFTQIRVOUSJJ-MRXNPFEDSA-N -1 0 321.380 3.113 50 0 DGAARM O=C([O-])CC1(NC(=O)c2ccc3cc[nH]c3c2)CCCCC1 ZINC000219918584 432666098 /nfs/dbraw/zinc/66/60/98/432666098.db2.gz ZNCDCZLNEBPZJU-UHFFFAOYSA-N -1 0 300.358 3.075 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000221733771 432668326 /nfs/dbraw/zinc/66/83/26/432668326.db2.gz SZHIQMHPAWRCRO-BFHYXJOUSA-N -1 0 321.442 3.263 50 0 DGAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)NC2CCCCC2)cc1 ZINC000226750569 432708451 /nfs/dbraw/zinc/70/84/51/432708451.db2.gz AJSUSFSQXWTXCO-CQSZACIVSA-N -1 0 319.401 3.093 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 ZINC000226751118 432708734 /nfs/dbraw/zinc/70/87/34/432708734.db2.gz CGLNNIDLYDKOCJ-GFCCVEGCSA-N -1 0 321.373 3.152 50 0 DGAARM O=C([O-])c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000225443188 432691355 /nfs/dbraw/zinc/69/13/55/432691355.db2.gz DRGYDMNIRHFJTP-UHFFFAOYSA-N -1 0 306.321 3.428 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000237939004 432805632 /nfs/dbraw/zinc/80/56/32/432805632.db2.gz UNKZLQZGJATSAL-ZDUSSCGKSA-N -1 0 318.348 3.167 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000237993943 432808539 /nfs/dbraw/zinc/80/85/39/432808539.db2.gz UNKZLQZGJATSAL-CYBMUJFWSA-N -1 0 318.348 3.167 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000238063825 432810476 /nfs/dbraw/zinc/81/04/76/432810476.db2.gz UNQWKBGUEOOXLO-SFHVURJKSA-N -1 0 323.392 3.334 50 0 DGAARM C=Cc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000240569387 432815226 /nfs/dbraw/zinc/81/52/26/432815226.db2.gz HAEQIOYGAQQELM-UHFFFAOYSA-N -1 0 319.382 3.148 50 0 DGAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000015014873 289859889 /nfs/dbraw/zinc/85/98/89/289859889.db2.gz WKUUERJXUFDTNB-HUUCEWRRSA-N -1 0 315.756 3.335 50 0 DGAARM CCC[C@H](CC(=O)[O-])NC(=O)N(C)Cc1cccc(C)c1C ZINC000426563075 433533552 /nfs/dbraw/zinc/53/35/52/433533552.db2.gz AWLHMNGTVCZIBD-OAHLLOKOSA-N -1 0 306.406 3.088 50 0 DGAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cl)c3=O)cc1 ZINC000018223009 295045383 /nfs/dbraw/zinc/04/53/83/295045383.db2.gz TXMWFHCAXKNFMI-UHFFFAOYSA-N -1 0 303.749 3.381 50 0 DGAARM COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(C(=O)[O-])c1OC ZINC000005285964 295049331 /nfs/dbraw/zinc/04/93/31/295049331.db2.gz VZOKZMHGOODULS-UHFFFAOYSA-N -1 0 312.325 3.254 50 0 DGAARM Cc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)no1 ZINC000225442736 301150120 /nfs/dbraw/zinc/15/01/20/301150120.db2.gz QZEJFPCPUYVQPU-UHFFFAOYSA-N -1 0 302.311 3.148 50 0 DGAARM Cc1cc(C(=O)[O-])c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000012396051 301151766 /nfs/dbraw/zinc/15/17/66/301151766.db2.gz MAMLPLZJXWNSNN-UHFFFAOYSA-N -1 0 311.316 3.444 50 0 DGAARM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000096480304 301574244 /nfs/dbraw/zinc/57/42/44/301574244.db2.gz DKQFLUZKJFOGRU-GUYCJALGSA-N -1 0 315.369 3.099 50 0 DGAARM Cc1ccc(C[C@@]2(C(=O)[O-])CCCN2C(=O)OC(C)(C)C)cc1 ZINC000000391841 301593013 /nfs/dbraw/zinc/59/30/13/301593013.db2.gz RLTOVEWXHUWHJM-GOSISDBHSA-N -1 0 319.401 3.392 50 0 DGAARM Nc1ccc([C@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000107748664 303497869 /nfs/dbraw/zinc/49/78/69/303497869.db2.gz ORBOZDPKLINAJR-AWEZNQCLSA-N -1 0 320.186 3.442 50 0 DGAARM O=c1c2sc3ncccc3c2[n-]c(=S)n1Cc1ccco1 ZINC000101416247 304816651 /nfs/dbraw/zinc/81/66/51/304816651.db2.gz ZFBFZIGKVWYFIR-UHFFFAOYSA-N -1 0 315.379 3.310 50 0 DGAARM Cc1nc(=NC(=O)C2CCC(c3ccccc3)CC2)s[n-]1 ZINC000329770247 534869929 /nfs/dbraw/zinc/86/99/29/534869929.db2.gz IPIROKHHCNYJCD-UHFFFAOYSA-N -1 0 301.415 3.181 50 0 DGAARM CC[C@H](C)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)on1 ZINC000299751120 529271932 /nfs/dbraw/zinc/27/19/32/529271932.db2.gz POWRSBHWLJMRTH-XCCSTKFXSA-N -1 0 320.389 3.046 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000221033833 546265922 /nfs/dbraw/zinc/26/59/22/546265922.db2.gz RQVXBFVMALLQRY-CABCVRRESA-N -1 0 319.401 3.329 50 0 DGAARM Cc1ccc(C)c(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000325418496 546479356 /nfs/dbraw/zinc/47/93/56/546479356.db2.gz WEUIWPBHADJBPL-QGZVFWFLSA-N -1 0 323.392 3.451 50 0 DGAARM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000668275185 547433949 /nfs/dbraw/zinc/43/39/49/547433949.db2.gz URVGPPVRICXGFN-TZMCWYRMSA-N -1 0 305.374 3.227 50 0 DGAARM O=C([O-])c1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000676004149 548303951 /nfs/dbraw/zinc/30/39/51/548303951.db2.gz QJNXFKAXTRTFNH-HNNXBMFYSA-N -1 0 309.365 3.121 50 0 DGAARM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000169939430 575282017 /nfs/dbraw/zinc/28/20/17/575282017.db2.gz RSDGKHUSMBOPJE-UHFFFAOYSA-N -1 0 324.258 3.359 50 0 DGAARM Cc1onc(-c2c(F)cccc2Br)c1C(=O)[O-] ZINC000394662306 575944756 /nfs/dbraw/zinc/94/47/56/575944756.db2.gz AOQIDWSVTKNRJH-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM C/C(=C\C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C1CC1 ZINC000584908396 600792933 /nfs/dbraw/zinc/79/29/33/600792933.db2.gz DTXZPDDTDPMYOM-PKNBQFBNSA-N -1 0 323.339 3.124 50 0 DGAARM C[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000263552964 655863535 /nfs/dbraw/zinc/86/35/35/655863535.db2.gz MGHRNMMHZFNMRD-HOCLYGCPSA-N -1 0 303.402 3.111 50 0 DGAARM COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)ccc1O ZINC000083923456 655968573 /nfs/dbraw/zinc/96/85/73/655968573.db2.gz IYUXTTHPECSTLC-DUXPYHPUSA-N -1 0 304.323 3.057 50 0 DGAARM O=C([O-])c1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc2ccccc21 ZINC000067741857 685056597 /nfs/dbraw/zinc/05/65/97/685056597.db2.gz FPFQGTWFBVIMGW-LBPRGKRZSA-N -1 0 322.368 3.040 50 0 DGAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2cccs2)cc1F ZINC001506399293 1186221750 /nfs/dbraw/zinc/22/17/50/1186221750.db2.gz MAQUHROBYLCGHO-AWEZNQCLSA-N -1 0 309.362 3.154 50 0 DGAARM CN(Cc1cccc(C(F)(F)F)c1)c1nc(C(=O)[O-])co1 ZINC001529101547 1187532236 /nfs/dbraw/zinc/53/22/36/1187532236.db2.gz HLBINSGMNXOQGF-UHFFFAOYSA-N -1 0 300.236 3.028 50 0 DGAARM O=C([O-])c1c(NC[C@@H]2CCCCO2)noc1-c1ccccc1 ZINC001704328902 1202521109 /nfs/dbraw/zinc/52/11/09/1202521109.db2.gz ONVUNHLLYYEHNT-LBPRGKRZSA-N -1 0 302.330 3.021 50 0 DGAARM COc1cc(-c2onc(N3CCC[C@H]3C)c2C(=O)[O-])ccc1F ZINC001704326317 1202521149 /nfs/dbraw/zinc/52/11/49/1202521149.db2.gz USWZQUFPVCQHFY-SECBINFHSA-N -1 0 320.320 3.176 50 0 DGAARM CCO[C@H](CC)CNc1noc(-c2ccccc2)c1C(=O)[O-] ZINC001704329529 1202521281 /nfs/dbraw/zinc/52/12/81/1202521281.db2.gz WHUBCRBNUPNRRD-GFCCVEGCSA-N -1 0 304.346 3.267 50 0 DGAARM CCO[C@@H](CC)CNc1noc(-c2ccccc2)c1C(=O)[O-] ZINC001704329530 1202521285 /nfs/dbraw/zinc/52/12/85/1202521285.db2.gz WHUBCRBNUPNRRD-LBPRGKRZSA-N -1 0 304.346 3.267 50 0 DGAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2CC(C)(C)C)cc1 ZINC000584906733 1083009179 /nfs/dbraw/zinc/00/91/79/1083009179.db2.gz XFVGVWSDMFNNSS-ZBFHGGJFSA-N -1 0 319.401 3.106 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2cccn2C2CCCC2)c2ccccc21 ZINC000192938074 1096529332 /nfs/dbraw/zinc/52/93/32/1096529332.db2.gz XIKZAWJNEOXIKX-HNNXBMFYSA-N -1 0 324.380 3.432 50 0 DGAARM Cc1cc([O-])c(C2=NCCS[C@H](c3cccs3)C2)c(=O)o1 ZINC000005730258 1103893824 /nfs/dbraw/zinc/89/38/24/1103893824.db2.gz IXLQDQHHIWTMFP-ZDUSSCGKSA-N -1 0 321.423 3.383 50 0 DGAARM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000079106573 185158777 /nfs/dbraw/zinc/15/87/77/185158777.db2.gz AMFCTCMOAASIRZ-LBPRGKRZSA-N -1 0 307.419 3.423 50 0 DGAARM CSc1nc2sc(C(=O)[O-])cc2c(N2CCCCC2)n1 ZINC000004867758 295690419 /nfs/dbraw/zinc/69/04/19/295690419.db2.gz ZHQGFQMSUFFAHY-UHFFFAOYSA-N -1 0 309.416 3.102 50 0 DGAARM CC(C)c1noc([N-][C@H](C)c2noc(Cc3ccccc3)n2)n1 ZINC000095427775 185362166 /nfs/dbraw/zinc/36/21/66/185362166.db2.gz KVWMAIBKKKDTOX-LLVKDONJSA-N -1 0 313.361 3.340 50 0 DGAARM CCc1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1 ZINC000095457215 185370301 /nfs/dbraw/zinc/37/03/01/185370301.db2.gz LGBOCHNDVYLPLJ-UHFFFAOYSA-N -1 0 315.345 3.019 50 0 DGAARM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000097018499 185397866 /nfs/dbraw/zinc/39/78/66/185397866.db2.gz SZFHSYONVCSVIQ-NSHDSACASA-N -1 0 303.383 3.208 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000097018895 185397953 /nfs/dbraw/zinc/39/79/53/185397953.db2.gz SBYKTCMIVSQZNW-CHWSQXEVSA-N -1 0 319.744 3.051 50 0 DGAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cccc(C)c1C ZINC000064983796 432009819 /nfs/dbraw/zinc/00/98/19/432009819.db2.gz YLTSAUBAPSPZPG-UHFFFAOYSA-N -1 0 314.385 3.313 50 0 DGAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)o1 ZINC000064958659 432010037 /nfs/dbraw/zinc/01/00/37/432010037.db2.gz VIHBQPHLIXXRGR-UHFFFAOYSA-N -1 0 304.327 3.044 50 0 DGAARM COCCC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCC1 ZINC000123916309 185855904 /nfs/dbraw/zinc/85/59/04/185855904.db2.gz LVIKDTJLCFWXAC-UHFFFAOYSA-N -1 0 320.414 3.053 50 0 DGAARM CC(C)c1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000072239268 191083172 /nfs/dbraw/zinc/08/31/72/191083172.db2.gz KFPWPOXLVLEQJN-UHFFFAOYSA-N -1 0 307.419 3.388 50 0 DGAARM O=C([O-])CCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000000149261 180709475 /nfs/dbraw/zinc/70/94/75/180709475.db2.gz XPJCHBMSIZOYLZ-UHFFFAOYSA-N -1 0 317.345 3.384 50 0 DGAARM COc1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000261215 180741288 /nfs/dbraw/zinc/74/12/88/180741288.db2.gz QPYTVMVVJQQGBR-SUMWQHHRSA-N -1 0 305.374 3.161 50 0 DGAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000002736198 180950512 /nfs/dbraw/zinc/95/05/12/180950512.db2.gz HUJQUAMDFQAAAP-UHFFFAOYSA-N -1 0 308.334 3.143 50 0 aggregator DGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000003849604 181049201 /nfs/dbraw/zinc/04/92/01/181049201.db2.gz AKYSJEFHNGDVNK-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM CC[C@H](C)[C@@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000004316841 181096715 /nfs/dbraw/zinc/09/67/15/181096715.db2.gz DQXLHGIEOPHCII-QPUJVOFHSA-N -1 0 305.403 3.091 50 0 DGAARM CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(C(=O)[O-])cc2)C1=O ZINC000004350112 181101345 /nfs/dbraw/zinc/10/13/45/181101345.db2.gz CDEHCKCDXDGRSX-YXYQAXARSA-N -1 0 305.355 3.220 50 0 DGAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000004593155 181127874 /nfs/dbraw/zinc/12/78/74/181127874.db2.gz MFRRYUANCCWHLC-CQSZACIVSA-N -1 0 303.745 3.478 50 0 DGAARM COc1cccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1 ZINC000004651537 181131928 /nfs/dbraw/zinc/13/19/28/181131928.db2.gz WOALXUBOIUFZFN-CABCVRRESA-N -1 0 303.358 3.081 50 0 DGAARM CCOC(=O)N=c1[n-]nc(COc2ccc(Cl)cc2)s1 ZINC000004694989 181137734 /nfs/dbraw/zinc/13/77/34/181137734.db2.gz GIOOLVBJORZLAR-UHFFFAOYSA-N -1 0 313.766 3.339 50 0 DGAARM CC(=O)N(c1nc(/C=C\C(=O)[O-])cs1)c1ccccc1F ZINC000004801749 181153275 /nfs/dbraw/zinc/15/32/75/181153275.db2.gz FHDDGPTUSASJCA-SREVYHEPSA-N -1 0 306.318 3.065 50 0 DGAARM O=C([O-])CCCC(=O)NN1c2ccccc2CCc2ccccc21 ZINC000000219952 304045925 /nfs/dbraw/zinc/04/59/25/304045925.db2.gz DSBWFXLBQXYTRQ-UHFFFAOYSA-N -1 0 324.380 3.209 50 0 DGAARM COc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000005041243 181195334 /nfs/dbraw/zinc/19/53/34/181195334.db2.gz QOGBLAMLNVFIGP-UHFFFAOYSA-N -1 0 300.314 3.346 50 0 DGAARM O=C([O-])c1cc(NC(=O)c2cccc3ccccc32)ccc1O ZINC000005070483 181200368 /nfs/dbraw/zinc/20/03/68/181200368.db2.gz JNMBXIIBOWEXGW-UHFFFAOYSA-N -1 0 307.305 3.496 50 0 DGAARM COc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000005686115 181271969 /nfs/dbraw/zinc/27/19/69/181271969.db2.gz UHCWFUYTNWQEEI-STQMWFEESA-N -1 0 303.358 3.081 50 0 DGAARM CCCc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236912282 202067074 /nfs/dbraw/zinc/06/70/74/202067074.db2.gz ZTXXHSJVFJYOAV-OAHLLOKOSA-N -1 0 303.402 3.356 50 0 DGAARM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237242328 202202324 /nfs/dbraw/zinc/20/23/24/202202324.db2.gz WEXPBIDQALABLV-JTQLQIEISA-N -1 0 319.382 3.288 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccs2)C1 ZINC000180322345 199145936 /nfs/dbraw/zinc/14/59/36/199145936.db2.gz UGVUCVIFDKHPJD-ZIAGYGMSSA-N -1 0 315.394 3.079 50 0 DGAARM Cc1c([O-])ccc2c(=O)c(-c3nncn3-c3ccccc3)coc12 ZINC000005925626 181296617 /nfs/dbraw/zinc/29/66/17/181296617.db2.gz GWHNIPUJNDVKJQ-UHFFFAOYSA-N -1 0 319.320 3.055 50 0 DGAARM CCc1nc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC000089289915 192760347 /nfs/dbraw/zinc/76/03/47/192760347.db2.gz FEPAKFXNUSXRHK-UHFFFAOYSA-N -1 0 324.789 3.238 50 0 DGAARM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237765453 202349148 /nfs/dbraw/zinc/34/91/48/202349148.db2.gz AUFXMHCJFLPHBO-MRXNPFEDSA-N -1 0 321.373 3.286 50 0 DGAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc1 ZINC000006706584 181375440 /nfs/dbraw/zinc/37/54/40/181375440.db2.gz SFZPEKMSMPPQGX-UHFFFAOYSA-N -1 0 324.402 3.172 50 0 DGAARM C[C@@H](C(=O)NCCC(=O)[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC000006764235 181385186 /nfs/dbraw/zinc/38/51/86/181385186.db2.gz CPBPASUSXLMRIY-GFCCVEGCSA-N -1 0 315.344 3.187 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000021962248 304147410 /nfs/dbraw/zinc/14/74/10/304147410.db2.gz CGFIVURAFDUSHQ-XBFCOCLRSA-N -1 0 307.777 3.198 50 0 DGAARM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000261823273 203126139 /nfs/dbraw/zinc/12/61/39/203126139.db2.gz HLBKCBPSKNQGEU-DYVFJYSZSA-N -1 0 309.365 3.001 50 0 DGAARM O=C([O-])CCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000262145961 203211681 /nfs/dbraw/zinc/21/16/81/203211681.db2.gz OAWYOPKYWNADAM-SFHVURJKSA-N -1 0 323.392 3.220 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc2[nH]ccc21 ZINC000299741026 304149506 /nfs/dbraw/zinc/14/95/06/304149506.db2.gz CYCBGENBLOVXOA-LYRGGWFBSA-N -1 0 312.369 3.026 50 0 DGAARM Cc1ccsc1C1N=NC(=S)N1c1ccc(C(=O)[O-])cc1 ZINC000012324541 181750700 /nfs/dbraw/zinc/75/07/00/181750700.db2.gz ULYPDMKHELDMMW-UHFFFAOYSA-N -1 0 317.395 3.291 50 0 DGAARM Cc1ccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000013185172 181837072 /nfs/dbraw/zinc/83/70/72/181837072.db2.gz SPAWZLINJDREBM-UHFFFAOYSA-N -1 0 323.392 3.254 50 0 DGAARM O=C([O-])c1ccc(CCNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000013443039 181850732 /nfs/dbraw/zinc/85/07/32/181850732.db2.gz CTCONJGUWVUISJ-UHFFFAOYSA-N -1 0 321.735 3.150 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NCCc1ccccc1 ZINC000015952091 182025776 /nfs/dbraw/zinc/02/57/76/182025776.db2.gz QOQKZUIZHLPUGZ-UHFFFAOYSA-N -1 0 314.410 3.222 50 0 DGAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Cl)nc1 ZINC000016101364 182034366 /nfs/dbraw/zinc/03/43/66/182034366.db2.gz RDIYZBOQBUKBNP-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016130062 182034779 /nfs/dbraw/zinc/03/47/79/182034779.db2.gz PQLLUHIYDGZNFK-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM CCCc1cc(=O)n2nc(SCc3ccc(C)cc3)[n-]c2n1 ZINC000018240915 182100026 /nfs/dbraw/zinc/10/00/26/182100026.db2.gz MFKQODUNCNLLAS-UHFFFAOYSA-N -1 0 314.414 3.383 50 0 DGAARM CC[C@@H](Sc1nc(C)c(Cc2ccccc2)c(=O)[nH]1)C(=O)[O-] ZINC000020029257 182181253 /nfs/dbraw/zinc/18/12/53/182181253.db2.gz HDXVIKANZQATQE-CYBMUJFWSA-N -1 0 318.398 3.037 50 0 DGAARM O=C([O-])Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000026423418 182440615 /nfs/dbraw/zinc/44/06/15/182440615.db2.gz PYKOQDAEGOONQF-UHFFFAOYSA-N -1 0 318.276 3.412 50 0 DGAARM Cc1ccsc1CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000028901168 182544874 /nfs/dbraw/zinc/54/48/74/182544874.db2.gz UAYQVAJPZLALRJ-KRWDZBQOSA-N -1 0 317.410 3.105 50 0 DGAARM O=C([O-])CCn1c(/C=C/c2ccccc2)nc2ccccc2c1=O ZINC000029736949 182575811 /nfs/dbraw/zinc/57/58/11/182575811.db2.gz ZYMDFYUHFXSENE-ZHACJKMWSA-N -1 0 320.348 3.042 50 0 DGAARM O=C([O-])c1ccc(SCCC(=O)NC2CCCCC2)cc1 ZINC000037429583 182892062 /nfs/dbraw/zinc/89/20/62/182892062.db2.gz ATVLRUVRZRWOSZ-UHFFFAOYSA-N -1 0 307.415 3.316 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc2cccnc21 ZINC000038819541 183010137 /nfs/dbraw/zinc/01/01/37/183010137.db2.gz GKOBEBHHQDVUTB-UHFFFAOYSA-N -1 0 306.321 3.114 50 0 DGAARM CC(C)(C)OC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000038882674 183012111 /nfs/dbraw/zinc/01/21/11/183012111.db2.gz LJPMZDOWNYFYCN-KRWDZBQOSA-N -1 0 318.373 3.078 50 0 DGAARM O=C([O-])C12CCC(NC(=O)OCc3ccccc3)(CC1)CC2 ZINC000039156662 183014752 /nfs/dbraw/zinc/01/47/52/183014752.db2.gz LFCUXTYUESPPGC-UHFFFAOYSA-N -1 0 303.358 3.090 50 0 DGAARM CCc1nc2sc3c(c2c(N[C@@H](C(=O)[O-])C(C)C)n1)CCC3 ZINC000041090248 183163848 /nfs/dbraw/zinc/16/38/48/183163848.db2.gz ZUSSFTKXGRQIRW-CYBMUJFWSA-N -1 0 319.430 3.264 50 0 DGAARM COc1cc(C(=O)CCCCCCC(=O)[O-])cc(OC)c1OC ZINC000043214193 183345094 /nfs/dbraw/zinc/34/50/94/183345094.db2.gz ZJHDEKYFQGLVDJ-UHFFFAOYSA-N -1 0 324.373 3.320 50 0 DGAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000229276 304229808 /nfs/dbraw/zinc/22/98/08/304229808.db2.gz RKGHGAVRUBBCTM-ONGXEEELSA-N -1 0 311.263 3.242 50 0 DGAARM O=C([O-])c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)n1 ZINC000065349224 184326420 /nfs/dbraw/zinc/32/64/20/184326420.db2.gz HPFFGBNOMBLPGN-UHFFFAOYSA-N -1 0 310.353 3.073 50 0 DGAARM Cc1nc([C@H](C)N(C)Cc2ncccc2C(=O)[O-])c(C)s1 ZINC000065470000 184350774 /nfs/dbraw/zinc/35/07/74/184350774.db2.gz NZMDPJWULYNSSM-VIFPVBQESA-N -1 0 305.403 3.046 50 0 DGAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000065493703 184354490 /nfs/dbraw/zinc/35/44/90/184354490.db2.gz GJVQMIWVHYETMP-SNVBAGLBSA-N -1 0 319.744 3.033 50 0 DGAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccsc1)CC3 ZINC000012532341 304251708 /nfs/dbraw/zinc/25/17/08/304251708.db2.gz QVPWZIGSRDVWEA-YRNVUSSQSA-N -1 0 324.361 3.101 50 0 DGAARM O=C([O-])c1ccc2nc(/C=C\c3ccc4c(c3)OCCO4)oc2c1 ZINC000439275045 304254580 /nfs/dbraw/zinc/25/45/80/304254580.db2.gz KUHVVYMCDNNRKO-KXFIGUGUSA-N -1 0 323.304 3.468 50 0 DGAARM O=c1c2cc(F)ccc2[n-]c(=S)n1CCc1ccccc1 ZINC000000425289 285209481 /nfs/dbraw/zinc/20/94/81/285209481.db2.gz CCHAPFODNWKYOF-UHFFFAOYSA-N -1 0 300.358 3.441 50 0 DGAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc(F)cc2)no1 ZINC000009431151 285228573 /nfs/dbraw/zinc/22/85/73/285228573.db2.gz UZONPFQHZQAKOR-UHFFFAOYSA-N -1 0 324.267 3.355 50 0 DGAARM C/C(=C/C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236625947 257239350 /nfs/dbraw/zinc/23/93/50/257239350.db2.gz FKHKKMABZKHXDY-IKESIWSLSA-N -1 0 301.386 3.193 50 0 DGAARM CCC[C@H](CC(=O)[O-])NC(=O)N(C)Cc1ccccc1Cl ZINC000136075302 257242518 /nfs/dbraw/zinc/24/25/18/257242518.db2.gz CYXMDFZSOLQSNL-GFCCVEGCSA-N -1 0 312.797 3.125 50 0 DGAARM O=C([O-])c1coc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000183792256 304280541 /nfs/dbraw/zinc/28/05/41/304280541.db2.gz HMNNQWZKSXLRGZ-LBPRGKRZSA-N -1 0 303.314 3.328 50 0 DGAARM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000237530936 296539798 /nfs/dbraw/zinc/53/97/98/296539798.db2.gz GRVQKZLFNJNEFN-GHMZBOCLSA-N -1 0 303.314 3.184 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097231726 400284392 /nfs/dbraw/zinc/28/43/92/400284392.db2.gz AVRKSGPITMRFJH-HYVNUMGLSA-N -1 0 315.413 3.202 50 0 DGAARM O=C([O-])c1c(Br)ccc(OC(F)(F)F)c1F ZINC000034372153 400385830 /nfs/dbraw/zinc/38/58/30/400385830.db2.gz PMHZGWJIYADKFG-UHFFFAOYSA-N -1 0 303.005 3.185 50 0 DGAARM Cn1ncc(C2CC2)c1/C=C\c1ncc(/C=C/C(=O)[O-])s1 ZINC000606445015 400913135 /nfs/dbraw/zinc/91/31/35/400913135.db2.gz IKJHWZBITXHTLO-IUQJDUBZSA-N -1 0 301.371 3.022 50 0 DGAARM Cn1ncc(C2CCC2)c1/C=C\c1ncc(/C=C/C(=O)[O-])s1 ZINC000606445096 400914818 /nfs/dbraw/zinc/91/48/18/400914818.db2.gz XUHYRTWARFOWIF-WNXMRAAYSA-N -1 0 315.398 3.412 50 0 DGAARM O=C([O-])c1cccnc1N1CCc2cccc(C(F)(F)F)c2C1 ZINC000629769752 401085276 /nfs/dbraw/zinc/08/52/76/401085276.db2.gz RRMAHRNPNVBUOV-UHFFFAOYSA-N -1 0 322.286 3.361 50 0 DGAARM O=C([O-])Cc1cccc(NC(=O)C2(c3cccnc3)CCCC2)c1 ZINC000630145064 401199482 /nfs/dbraw/zinc/19/94/82/401199482.db2.gz WJEWWMZUWLZTII-UHFFFAOYSA-N -1 0 324.380 3.159 50 0 DGAARM Cc1oncc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000089495125 401225836 /nfs/dbraw/zinc/22/58/36/401225836.db2.gz QQLBJKUVAYKOFO-UHFFFAOYSA-N -1 0 300.405 3.143 50 0 DGAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1C ZINC000630277483 401231597 /nfs/dbraw/zinc/23/15/97/401231597.db2.gz DLTJCERRBRRZNA-HRCADAONSA-N -1 0 301.386 3.019 50 0 DGAARM O=C(N[C@@H](C(F)F)C1CCCCC1)c1s[n-]c(=O)c1Cl ZINC000623045759 401458021 /nfs/dbraw/zinc/45/80/21/401458021.db2.gz AKGRHZDTVSQYOA-MRVPVSSYSA-N -1 0 324.780 3.446 50 0 DGAARM C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058420765 277673774 /nfs/dbraw/zinc/67/37/74/277673774.db2.gz ZJIFAFVSWRHVAZ-SECBINFHSA-N -1 0 303.387 3.013 50 0 DGAARM COc1ccccc1-n1[n-]c(C)c(CCc2ccccc2)c1=O ZINC000009938083 278045006 /nfs/dbraw/zinc/04/50/06/278045006.db2.gz PRIVBVJBUMOTCQ-UHFFFAOYSA-N -1 0 308.381 3.268 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000038540368 278417674 /nfs/dbraw/zinc/41/76/74/278417674.db2.gz CALATTICCPJTQS-ZIAGYGMSSA-N -1 0 305.374 3.459 50 0 DGAARM CC(C)(C)c1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])no1 ZINC000017055304 278558593 /nfs/dbraw/zinc/55/85/93/278558593.db2.gz OVTSMGWRJLRZKQ-FEZLSPKCSA-N -1 0 320.389 3.048 50 0 DGAARM O=C([O-])CC1(CC(=O)NCc2ccc(F)cc2)CCCCC1 ZINC000000105658 431125711 /nfs/dbraw/zinc/12/57/11/431125711.db2.gz TWXLZZSRQQXYEM-UHFFFAOYSA-N -1 0 307.365 3.257 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000000116184 431128583 /nfs/dbraw/zinc/12/85/83/431128583.db2.gz KRVKSWSTGNFTME-AWEZNQCLSA-N -1 0 303.745 3.286 50 0 DGAARM Cc1nc2sc3c(c2c(SCCC(=O)[O-])n1)CCCC3 ZINC000000125800 431131485 /nfs/dbraw/zinc/13/14/85/431131485.db2.gz PHKRTEJZBKASPW-UHFFFAOYSA-N -1 0 308.428 3.445 50 0 DGAARM CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000144467 431133838 /nfs/dbraw/zinc/13/38/38/431133838.db2.gz LVTJEOZORQRCOE-LSDHHAIUSA-N -1 0 305.374 3.303 50 0 DGAARM COc1ccc([C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000000206550 431144614 /nfs/dbraw/zinc/14/46/14/431144614.db2.gz SLYYYODCGYREOZ-CQSZACIVSA-N -1 0 300.310 3.031 50 0 biogenic DGAARM COc1ccccc1NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000190214 431141909 /nfs/dbraw/zinc/14/19/09/431141909.db2.gz UHVXTHWPROQFCT-DIFFPNOSSA-N -1 0 305.374 3.161 50 0 DGAARM COc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000000313259 431166359 /nfs/dbraw/zinc/16/63/59/431166359.db2.gz XUDZYHZDZCDMEV-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)c1 ZINC000000384748 431174741 /nfs/dbraw/zinc/17/47/41/431174741.db2.gz HXYLMVRNCWVBKM-UHFFFAOYSA-N -1 0 310.806 3.461 50 0 DGAARM COc1ccc([C@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000000206553 431145204 /nfs/dbraw/zinc/14/52/04/431145204.db2.gz SLYYYODCGYREOZ-AWEZNQCLSA-N -1 0 300.310 3.031 50 0 biogenic DGAARM C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108657274 431149395 /nfs/dbraw/zinc/14/93/95/431149395.db2.gz QUNKEZSMBNOLRJ-AGIUHOORSA-N -1 0 307.365 3.236 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000265477 431156734 /nfs/dbraw/zinc/15/67/34/431156734.db2.gz SFCROKYNRQQVIP-RDTXWAMCSA-N -1 0 317.385 3.355 50 0 DGAARM O=S(=O)(c1ccc2ccccc2c1)c1cc(O)ccc1[O-] ZINC000000257799 431156746 /nfs/dbraw/zinc/15/67/46/431156746.db2.gz VUMGIBHLNLUBCP-UHFFFAOYSA-N -1 0 300.335 3.084 50 0 DGAARM CCc1cc2c(nc(C)nc2N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000000572976 431203293 /nfs/dbraw/zinc/20/32/93/431203293.db2.gz LQXRZPGAQONRGK-LBPRGKRZSA-N -1 0 307.419 3.473 50 0 DGAARM C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000001060214 431213607 /nfs/dbraw/zinc/21/36/07/431213607.db2.gz ZCCQODJOMKRZOE-WBMJQRKESA-N -1 0 323.348 3.068 50 0 DGAARM Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)[O-])cc1 ZINC000001978281 431243260 /nfs/dbraw/zinc/24/32/60/431243260.db2.gz YXZNVSUHSGFHII-UHFFFAOYSA-N -1 0 310.305 3.232 50 0 DGAARM Cc1sc2[n-]c(=S)n(C(=O)c3ccccc3)c(=O)c2c1C ZINC000111934814 431244422 /nfs/dbraw/zinc/24/44/22/431244422.db2.gz JZPCQPCCBRDRHL-UHFFFAOYSA-N -1 0 316.407 3.426 50 0 DGAARM CCCCOc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1 ZINC000002152053 431245548 /nfs/dbraw/zinc/24/55/48/431245548.db2.gz PNOACZKAHUPUIN-UHFFFAOYSA-N -1 0 304.342 3.298 50 0 biogenic DGAARM CC(C)CCCCCOc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC000002106732 431246218 /nfs/dbraw/zinc/24/62/18/431246218.db2.gz MJUZYAWJCUVOOL-HNNXBMFYSA-N -1 0 304.390 3.162 50 0 biogenic DGAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000002244253 431248065 /nfs/dbraw/zinc/24/80/65/431248065.db2.gz XHNLLTGZBXJRGH-LBPRGKRZSA-N -1 0 313.781 3.251 50 0 DGAARM O=C([O-])[C@H]1CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002379421 431250802 /nfs/dbraw/zinc/25/08/02/431250802.db2.gz BXRZCDISGRVJCA-QGZVFWFLSA-N -1 0 323.348 3.094 50 0 DGAARM O=C([O-])CCCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000003058815 431281370 /nfs/dbraw/zinc/28/13/70/431281370.db2.gz GHGVNDYAIMHWMK-UHFFFAOYSA-N -1 0 311.381 3.190 50 0 DGAARM Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c12 ZINC000004294509 431297801 /nfs/dbraw/zinc/29/78/01/431297801.db2.gz RMLVJZYHWNWIBO-UHFFFAOYSA-N -1 0 301.733 3.295 50 0 DGAARM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002763421 431267523 /nfs/dbraw/zinc/26/75/23/431267523.db2.gz UICRLLUGIDJHIU-SNVBAGLBSA-N -1 0 319.744 3.444 50 0 DGAARM O=C(Nc1c(=O)oc2ccccc2c1[O-])c1ccc(Cl)cc1 ZINC000006822941 431322632 /nfs/dbraw/zinc/32/26/32/431322632.db2.gz WELKDPZNBVVZKS-UHFFFAOYSA-N -1 0 315.712 3.404 50 0 DGAARM O=S1(=O)[N-]C(SCc2ccc(F)cc2)=Nc2ccccc21 ZINC000006918562 431324968 /nfs/dbraw/zinc/32/49/68/431324968.db2.gz NVMSFIVXTJVPIV-UHFFFAOYSA-N -1 0 322.386 3.229 50 0 DGAARM O=S(=O)([N-]c1nc2c(cccc2F)s1)c1cccs1 ZINC000008864735 431416153 /nfs/dbraw/zinc/41/61/53/431416153.db2.gz QSLCFIHZOWEDIL-UHFFFAOYSA-N -1 0 314.388 3.298 50 0 DGAARM O=C(Nc1cc(-c2ccccc2)no1)[C@H]1COc2ccccc2O1 ZINC000009306228 431426062 /nfs/dbraw/zinc/42/60/62/431426062.db2.gz ZYOGVYXIWVXJBN-MRXNPFEDSA-N -1 0 322.320 3.120 50 0 DGAARM CC(=O)c1cnc([N-]c2nc(C)c3ccc(C)cc3n2)nc1C ZINC000009089614 431421493 /nfs/dbraw/zinc/42/14/93/431421493.db2.gz FZBPPXGZWOKOGX-UHFFFAOYSA-N -1 0 307.357 3.291 50 0 DGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008106071 431379244 /nfs/dbraw/zinc/37/92/44/431379244.db2.gz ARMIDCOVPBJTDX-UHFFFAOYSA-N -1 0 313.325 3.164 50 0 DGAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cc1 ZINC000008697547 431405279 /nfs/dbraw/zinc/40/52/79/431405279.db2.gz YNVXURIRIPGZGS-UHFFFAOYSA-N -1 0 321.446 3.461 50 0 DGAARM CCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000009780232 431447901 /nfs/dbraw/zinc/44/79/01/431447901.db2.gz ATZGIGYGIUMTOM-GJZGRUSLSA-N -1 0 305.374 3.305 50 0 DGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000010301849 431461043 /nfs/dbraw/zinc/46/10/43/431461043.db2.gz SXNDQVFJTZNQRD-UHFFFAOYSA-N -1 0 309.362 3.252 50 0 DGAARM O=c1[n-]c(SCCc2ccccc2)nnc1Cc1ccccc1 ZINC000009418553 431433200 /nfs/dbraw/zinc/43/32/00/431433200.db2.gz IRCJOVXWUWFSMY-UHFFFAOYSA-N -1 0 323.421 3.091 50 0 DGAARM COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1OC ZINC000012686044 431523520 /nfs/dbraw/zinc/52/35/20/431523520.db2.gz DHDVCLGWMRFARM-UHFFFAOYSA-N -1 0 321.373 3.068 50 0 DGAARM O=S(=O)([N-]c1cccc(Cl)c1)c1c[nH]c2ncccc12 ZINC000075535549 431482196 /nfs/dbraw/zinc/48/21/96/431482196.db2.gz DDPCXDMPOWSJKG-UHFFFAOYSA-N -1 0 307.762 3.017 50 0 DGAARM C[C@H](NC(=O)CSc1ccccc1C(=O)[O-])c1cccs1 ZINC000012978338 431541081 /nfs/dbraw/zinc/54/10/81/431541081.db2.gz KFLMVIJOTVAHIH-JTQLQIEISA-N -1 0 321.423 3.416 50 0 DGAARM O=C([O-])/C=C/c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000012993155 431541189 /nfs/dbraw/zinc/54/11/89/431541189.db2.gz CAIAEYHFMIRIGO-JXMROGBWSA-N -1 0 320.348 3.447 50 0 DGAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013167563 431549345 /nfs/dbraw/zinc/54/93/45/431549345.db2.gz OCJQMYKXVFRIFV-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)s1)c1cccs1 ZINC000013388973 431554394 /nfs/dbraw/zinc/55/43/94/431554394.db2.gz UKKXXRKPFUGJEJ-ZETCQYMHSA-N -1 0 315.803 3.409 50 0 DGAARM COc1ccc2[nH]c(SCc3ccc(C(=O)[O-])o3)nc2c1 ZINC000015018856 431602157 /nfs/dbraw/zinc/60/21/57/431602157.db2.gz ICMIKXVTIWKJGL-UHFFFAOYSA-N -1 0 304.327 3.155 50 0 DGAARM O=C([O-])Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000030819499 431746319 /nfs/dbraw/zinc/74/63/19/431746319.db2.gz UGCKGOAARBQDHA-UHFFFAOYSA-N -1 0 303.261 3.336 50 0 DGAARM CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)[O-])c1C ZINC000032919463 431802570 /nfs/dbraw/zinc/80/25/70/431802570.db2.gz QVZRTFYPSGMJNG-UHFFFAOYSA-N -1 0 319.332 3.254 50 0 DGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000032532012 431782907 /nfs/dbraw/zinc/78/29/07/431782907.db2.gz CHJPGNXSXCSXGU-UHFFFAOYSA-N -1 0 309.412 3.368 50 0 DGAARM CSCc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)o1 ZINC000084146636 431817901 /nfs/dbraw/zinc/81/79/01/431817901.db2.gz GMTVYFBURSQEHF-UHFFFAOYSA-N -1 0 311.403 3.050 50 0 DGAARM CCc1c(C(=O)[O-])nnn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000037312395 431845609 /nfs/dbraw/zinc/84/56/09/431845609.db2.gz KVWAWLFXVRXSLJ-UHFFFAOYSA-N -1 0 319.670 3.200 50 0 DGAARM O=C([O-])[C@@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000037973286 431852135 /nfs/dbraw/zinc/85/21/35/431852135.db2.gz UJRAVMPRKYCLAV-QMMMGPOBSA-N -1 0 302.079 3.271 50 0 DGAARM O=C([O-])CCN(Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000034580591 431819886 /nfs/dbraw/zinc/81/98/86/431819886.db2.gz RGNBASLLMGVXSF-UHFFFAOYSA-N -1 0 313.353 3.300 50 0 DGAARM CCc1nnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000036390803 431838726 /nfs/dbraw/zinc/83/87/26/431838726.db2.gz BMYWMWAEABUJHX-UHFFFAOYSA-N -1 0 314.370 3.316 50 0 DGAARM CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000095349598 431922654 /nfs/dbraw/zinc/92/26/54/431922654.db2.gz LDTOLZLYSRUHMJ-UHFFFAOYSA-N -1 0 303.289 3.175 50 0 DGAARM Cc1oc(CNC(=O)CSc2ccccc2C)cc1C(=O)[O-] ZINC000095361117 431922850 /nfs/dbraw/zinc/92/28/50/431922850.db2.gz SHNQSCMJZWLYQL-UHFFFAOYSA-N -1 0 319.382 3.003 50 0 DGAARM C[C@H](CNC(=O)c1ccc(CSc2ccccc2)o1)C(=O)[O-] ZINC000089901240 431884770 /nfs/dbraw/zinc/88/47/70/431884770.db2.gz DWUHUTZXVDBLFE-LLVKDONJSA-N -1 0 319.382 3.022 50 0 DGAARM CC(C)(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047106619 431906032 /nfs/dbraw/zinc/90/60/32/431906032.db2.gz XLOXNBPNMIAXJQ-UHFFFAOYSA-N -1 0 305.403 3.164 50 0 DGAARM Cc1ccc(CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000095970285 431930050 /nfs/dbraw/zinc/93/00/50/431930050.db2.gz YMVNBCYZXQOQBI-WBMJQRKESA-N -1 0 317.410 3.177 50 0 DGAARM CC[C@@](C)(NC(=O)c1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000095976721 431930507 /nfs/dbraw/zinc/93/05/07/431930507.db2.gz MJZGIVIIGJTJOV-MRXNPFEDSA-N -1 0 318.398 3.205 50 0 DGAARM CCc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)o1 ZINC000095989356 431932537 /nfs/dbraw/zinc/93/25/37/431932537.db2.gz FRPJPKOTZWJRKK-LLVKDONJSA-N -1 0 307.371 3.158 50 0 DGAARM Cc1ncc([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl ZINC000096182464 431941234 /nfs/dbraw/zinc/94/12/34/431941234.db2.gz JWAZVSCWBXDQEU-UHFFFAOYSA-N -1 0 314.769 3.292 50 0 DGAARM O=C([O-])c1cnc(/C=C\c2cc3c(c(Cl)c2)OCO3)s1 ZINC000096402113 431945284 /nfs/dbraw/zinc/94/52/84/431945284.db2.gz BCSVCOUCAZDHIG-UPHRSURJSA-N -1 0 309.730 3.394 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1cccs1 ZINC000050921343 431949340 /nfs/dbraw/zinc/94/93/40/431949340.db2.gz YOBNTNQXAZZASH-CYBMUJFWSA-N -1 0 309.431 3.317 50 0 DGAARM Cc1cccnc1[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000097179401 431964542 /nfs/dbraw/zinc/96/45/42/431964542.db2.gz AZQQQVDMUWYKLH-CQSZACIVSA-N -1 0 316.382 3.031 50 0 DGAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000097228700 431964926 /nfs/dbraw/zinc/96/49/26/431964926.db2.gz VIUAJIBJFQRJAH-YVEFUNNKSA-N -1 0 322.364 3.360 50 0 DGAARM O=C(CC[C@H]1CCOC1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097379027 431968757 /nfs/dbraw/zinc/96/87/57/431968757.db2.gz OXLJQAVPHWZOQB-QMMMGPOBSA-N -1 0 304.173 3.454 50 0 DGAARM COc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1 ZINC000100525327 431982161 /nfs/dbraw/zinc/98/21/61/431982161.db2.gz XTNYJLMDGBTJQY-UHFFFAOYSA-N -1 0 323.377 3.446 50 0 DGAARM COc1ccc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)cc1 ZINC000101011656 431983634 /nfs/dbraw/zinc/98/36/34/431983634.db2.gz FULYLZURNKXGCN-DHZHZOJOSA-N -1 0 320.352 3.005 50 0 DGAARM CCOc1ccc(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000101348387 431984047 /nfs/dbraw/zinc/98/40/47/431984047.db2.gz VDQKPGBLBMZJJE-QGZVFWFLSA-N -1 0 322.364 3.307 50 0 DGAARM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000262549463 281475888 /nfs/dbraw/zinc/47/58/88/281475888.db2.gz SGEMZTDYRDRFIA-LLVKDONJSA-N -1 0 315.291 3.188 50 0 DGAARM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(OCC#N)cc1 ZINC000252475057 432375995 /nfs/dbraw/zinc/37/59/95/432375995.db2.gz RSWXDFJDLBRAFC-UHFFFAOYSA-N -1 0 309.325 3.123 50 0 DGAARM O=C([O-])c1ccccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000252452670 432376837 /nfs/dbraw/zinc/37/68/37/432376837.db2.gz VHEBATRDHDUTTD-UHFFFAOYSA-N -1 0 309.247 3.245 50 0 DGAARM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000254379648 432401959 /nfs/dbraw/zinc/40/19/59/432401959.db2.gz DVJDSFLXEFCUJB-UHFFFAOYSA-N -1 0 320.352 3.407 50 0 DGAARM CC(C)[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262993328 432513006 /nfs/dbraw/zinc/51/30/06/432513006.db2.gz MCJQDDLHIGODCN-JSGCOSHPSA-N -1 0 324.808 3.153 50 0 DGAARM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(C(=O)[O-])co1 ZINC000262809465 432503863 /nfs/dbraw/zinc/50/38/63/432503863.db2.gz PAMFJRPVOOTGCO-UWVGGRQHSA-N -1 0 317.316 3.265 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000262971306 432510948 /nfs/dbraw/zinc/51/09/48/432510948.db2.gz RXFYBQJYDMPILI-DCAQKATOSA-N -1 0 311.328 3.033 50 0 DGAARM CCn1ccnc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263561749 432556141 /nfs/dbraw/zinc/55/61/41/432556141.db2.gz CJCCODNJKGPZKD-MRXNPFEDSA-N -1 0 313.401 3.328 50 0 DGAARM CC(=O)Nc1cccc(C(C)=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000263630469 432561447 /nfs/dbraw/zinc/56/14/47/432561447.db2.gz WOGLZNZXBPFMNH-UHFFFAOYSA-N -1 0 311.341 3.179 50 0 DGAARM O=C([O-])c1cc2cc(NC(=O)CC[C@@H]3CCOC3)ccc2s1 ZINC000263145848 432523378 /nfs/dbraw/zinc/52/33/78/432523378.db2.gz NCMWGAIHJOQQHK-SNVBAGLBSA-N -1 0 319.382 3.355 50 0 DGAARM CCn1c(C)cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1C ZINC000263244233 432528675 /nfs/dbraw/zinc/52/86/75/432528675.db2.gz RZTJYIQWIMBCLG-UHFFFAOYSA-N -1 0 318.348 3.143 50 0 DGAARM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263419897 432542313 /nfs/dbraw/zinc/54/23/13/432542313.db2.gz PCYUCGAMUBQBMQ-ZDUSSCGKSA-N -1 0 324.380 3.221 50 0 DGAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1C=CCC1 ZINC000236624553 432750500 /nfs/dbraw/zinc/75/05/00/432750500.db2.gz LTKIFDFUIHQWKY-LBPRGKRZSA-N -1 0 303.358 3.467 50 0 DGAARM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000236805314 432765194 /nfs/dbraw/zinc/76/51/94/432765194.db2.gz OJNCKRPQLWRDEU-OAHLLOKOSA-N -1 0 303.402 3.111 50 0 DGAARM Cc1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237676182 432796832 /nfs/dbraw/zinc/79/68/32/432796832.db2.gz YIOWCIWUPZABCB-INIZCTEOSA-N -1 0 303.402 3.174 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000238101827 432811994 /nfs/dbraw/zinc/81/19/94/432811994.db2.gz SXUGSRKKICKLTD-AWEZNQCLSA-N -1 0 311.337 3.026 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000298056850 433044613 /nfs/dbraw/zinc/04/46/13/433044613.db2.gz BPPMKQSQDJXNFN-VIFPVBQESA-N -1 0 307.396 3.485 50 0 DGAARM CCC[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1cccc(C)c1C ZINC000426563073 433533688 /nfs/dbraw/zinc/53/36/88/433533688.db2.gz AWLHMNGTVCZIBD-HNNXBMFYSA-N -1 0 306.406 3.088 50 0 DGAARM CCCCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426431794 433494849 /nfs/dbraw/zinc/49/48/49/433494849.db2.gz JQUJMZKMPBWJAF-NSHDSACASA-N -1 0 312.797 3.125 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000340194731 433976620 /nfs/dbraw/zinc/97/66/20/433976620.db2.gz SXUGSRKKICKLTD-CQSZACIVSA-N -1 0 311.337 3.026 50 0 DGAARM COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C)c1 ZINC000006698832 295161352 /nfs/dbraw/zinc/16/13/52/295161352.db2.gz KXMGBHCNYGYCMZ-INCPQMAJSA-N -1 0 317.385 3.079 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc2ccncc21 ZINC000647734138 436112763 /nfs/dbraw/zinc/11/27/63/436112763.db2.gz SOEOXIXPKXVEIN-CQSZACIVSA-N -1 0 312.369 3.094 50 0 DGAARM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237756410 301017297 /nfs/dbraw/zinc/01/72/97/301017297.db2.gz HXKSIHIIOZKRKF-NSHDSACASA-N -1 0 307.346 3.038 50 0 DGAARM Cc1nn2c([n-]1)nc(C)c(Cc1cccc3ccccc31)c2=O ZINC000018222720 302684838 /nfs/dbraw/zinc/68/48/38/302684838.db2.gz ANUHOHBLXGGKNO-UHFFFAOYSA-N -1 0 304.353 3.191 50 0 DGAARM C[C@H](CN(C(=O)c1cc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000195551958 323492436 /nfs/dbraw/zinc/49/24/36/323492436.db2.gz WIMYDLNHZZJNRU-SNVBAGLBSA-N -1 0 303.383 3.227 50 0 DGAARM CCCN(Cc1ccc(Cl)cc1)C(=O)NCCCC(=O)[O-] ZINC000426730485 528134968 /nfs/dbraw/zinc/13/49/68/528134968.db2.gz UOEXYZPAJUKVID-UHFFFAOYSA-N -1 0 312.797 3.126 50 0 DGAARM Cc1onc(-c2ccc(Br)c(F)c2)c1C(=O)[O-] ZINC000161932087 546074419 /nfs/dbraw/zinc/07/44/19/546074419.db2.gz PELADCAMKMPZIK-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cn1 ZINC000519183499 546962051 /nfs/dbraw/zinc/96/20/51/546962051.db2.gz RANGBRBURJUNRK-ZDUSSCGKSA-N -1 0 317.316 3.144 50 0 DGAARM O=C([O-])c1cc(-c2ccc(Br)c(Cl)c2)[nH]n1 ZINC000685949253 549810592 /nfs/dbraw/zinc/81/05/92/549810592.db2.gz NTPFTECZZIOCGM-UHFFFAOYSA-N -1 0 301.527 3.191 50 0 DGAARM Cc1ccc(SCCC(=O)NC2(CC(=O)[O-])CCC2)cc1C ZINC000262382306 601437256 /nfs/dbraw/zinc/43/72/56/601437256.db2.gz YVMYGXSZIKXBGU-UHFFFAOYSA-N -1 0 321.442 3.299 50 0 DGAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)Nc1cccc(Cl)c1 ZINC000022016178 655589226 /nfs/dbraw/zinc/58/92/26/655589226.db2.gz UVRPOHBDWLFVJI-UHFFFAOYSA-N -1 0 324.789 3.159 50 0 DGAARM O=C([O-])c1cc(NN=Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000254848953 656431292 /nfs/dbraw/zinc/43/12/92/656431292.db2.gz LNSLCCFRBYEBQR-UHFFFAOYSA-N -1 0 319.704 3.392 50 0 DGAARM Cc1cccc([C@@H](NC(=O)[C@H](C)c2ccccc2)C(=O)[O-])c1C ZINC000263054257 658111134 /nfs/dbraw/zinc/11/11/34/658111134.db2.gz OBAUWBHHKKMZLU-RHSMWYFYSA-N -1 0 311.381 3.349 50 0 DGAARM CN(C(=O)C1CCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263443884 658236007 /nfs/dbraw/zinc/23/60/07/658236007.db2.gz MYUQRFHKSVWBBS-MRXNPFEDSA-N -1 0 303.402 3.111 50 0 DGAARM O=C([O-])/C=C/c1cnc(/C=C/c2ccc3c(c2)OCCO3)s1 ZINC000079943463 658366555 /nfs/dbraw/zinc/36/65/55/658366555.db2.gz CCEVUMLYPRKHCP-BUSIMMOISA-N -1 0 315.350 3.183 50 0 DGAARM O=C([O-])c1c2c(sc1NC(=O)c1cccnc1)CCCCC2 ZINC000000451544 658437589 /nfs/dbraw/zinc/43/75/89/658437589.db2.gz BVVJPXCIRRVLEF-UHFFFAOYSA-N -1 0 316.382 3.363 50 0 DGAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003643743 1192948422 /nfs/dbraw/zinc/94/84/22/1192948422.db2.gz FQEPJUOLUDFINX-RDJZCZTQSA-N -1 0 308.333 3.167 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000044135852 1194260167 /nfs/dbraw/zinc/26/01/67/1194260167.db2.gz GJOKRYFZGOEKMG-ZIAGYGMSSA-N -1 0 323.364 3.251 50 0 DGAARM C[C@H]1CCCC[C@]1(CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000686795147 1103057090 /nfs/dbraw/zinc/05/70/90/1103057090.db2.gz XTEXOKZRPCGIAL-SUMWQHHRSA-N -1 0 305.374 3.336 50 0 DGAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000095498106 185374529 /nfs/dbraw/zinc/37/45/29/185374529.db2.gz IEVCSWORSHRBGG-ZDUSSCGKSA-N -1 0 314.385 3.030 50 0 DGAARM CC1(C)C[C@@]1(C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000095531262 185378716 /nfs/dbraw/zinc/37/87/16/185378716.db2.gz QQOWWDJHKWFGOP-SFHVURJKSA-N -1 0 319.376 3.007 50 0 DGAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1 ZINC000095545636 185379228 /nfs/dbraw/zinc/37/92/28/185379228.db2.gz XQRSXNVBOLGUNI-AWEZNQCLSA-N -1 0 304.353 3.144 50 0 DGAARM O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000081906869 192338113 /nfs/dbraw/zinc/33/81/13/192338113.db2.gz NWQJJIURIKEPDO-UHFFFAOYSA-N -1 0 312.749 3.136 50 0 DGAARM O=C([O-])C[C@H](CC(=O)NCCc1ccsc1)c1cccs1 ZINC000090607328 185306440 /nfs/dbraw/zinc/30/64/40/185306440.db2.gz VFHGYLUMOVCNAC-LBPRGKRZSA-N -1 0 323.439 3.117 50 0 DGAARM CO[C@H](C)c1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000095424351 185361495 /nfs/dbraw/zinc/36/14/95/185361495.db2.gz YGFPIBGEPMTKQN-SECBINFHSA-N -1 0 305.355 3.406 50 0 DGAARM CC[C@@H](C)c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)on1 ZINC000095424061 185361517 /nfs/dbraw/zinc/36/15/17/185361517.db2.gz BUUDLNQXGTXPFW-RISCZKNCSA-N -1 0 316.357 3.134 50 0 DGAARM Cc1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000097018947 185398003 /nfs/dbraw/zinc/39/80/03/185398003.db2.gz RMJUFGINQIZMFZ-UHFFFAOYSA-N -1 0 301.342 3.177 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000097018952 185398077 /nfs/dbraw/zinc/39/80/77/185398077.db2.gz UTICQRAWPWANPC-UHFFFAOYSA-N -1 0 308.337 3.437 50 0 DGAARM Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(C)n1C(C)C ZINC000236705501 201974368 /nfs/dbraw/zinc/97/43/68/201974368.db2.gz ZFALWYVFNWDUJS-NSHDSACASA-N -1 0 306.406 3.011 50 0 DGAARM O=C([O-])Cc1ccc(-c2nccc(CCC(F)(F)F)n2)cc1 ZINC000071745815 191019176 /nfs/dbraw/zinc/01/91/76/191019176.db2.gz ZXOADFNEDZRGKA-UHFFFAOYSA-N -1 0 310.275 3.266 50 0 DGAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000072129702 191045555 /nfs/dbraw/zinc/04/55/55/191045555.db2.gz XOYBIHIEYQOQLY-QGZVFWFLSA-N -1 0 323.392 3.019 50 0 DGAARM Cc1ccc(-n2ncc(C(=O)[O-])c2-n2cccc2)cc1Cl ZINC000072265073 191089636 /nfs/dbraw/zinc/08/96/36/191089636.db2.gz YYTHGBPRCKIKGC-UHFFFAOYSA-N -1 0 301.733 3.323 50 0 DGAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)on1 ZINC000175649249 186184884 /nfs/dbraw/zinc/18/48/84/186184884.db2.gz XGDWBIMYIPINAN-UHFFFAOYSA-N -1 0 320.823 3.488 50 0 DGAARM CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)[O-])ccc21 ZINC000072314741 191120452 /nfs/dbraw/zinc/12/04/52/191120452.db2.gz MIXZCVQQJUQKNF-UHFFFAOYSA-N -1 0 318.373 3.254 50 0 DGAARM COc1ccc2nc(Nc3ncccc3C(=O)[O-])sc2c1 ZINC000000382846 180772737 /nfs/dbraw/zinc/77/27/37/180772737.db2.gz VSPQOWXTRAHBLT-UHFFFAOYSA-N -1 0 301.327 3.142 50 0 DGAARM Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000620999 180831508 /nfs/dbraw/zinc/83/15/08/180831508.db2.gz RRHHTPQUUUEFTC-UHFFFAOYSA-N -1 0 301.367 3.424 50 0 DGAARM O=C([O-])C1(NC(=O)c2cc3cc(F)ccc3o2)CCCCC1 ZINC000095969539 304032622 /nfs/dbraw/zinc/03/26/22/304032622.db2.gz IUFLPDYHXHVMEP-UHFFFAOYSA-N -1 0 305.305 3.089 50 0 DGAARM CCC[C@@H](CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)[O-] ZINC000002376198 180921912 /nfs/dbraw/zinc/92/19/12/180921912.db2.gz VZPCZPLEBCUDCK-LBPRGKRZSA-N -1 0 321.373 3.083 50 0 DGAARM Cc1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2nc1C ZINC000003997582 181060575 /nfs/dbraw/zinc/06/05/75/181060575.db2.gz HDDHFLQEQLOEAB-UHFFFAOYSA-N -1 0 319.411 3.109 50 0 DGAARM CC(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1 ZINC000004085626 181071110 /nfs/dbraw/zinc/07/11/10/181071110.db2.gz USXCOSPARFHTLV-LLVKDONJSA-N -1 0 303.280 3.004 50 0 DGAARM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)O1 ZINC000163627079 432037708 /nfs/dbraw/zinc/03/77/08/432037708.db2.gz MRBLPAPBMHBPTH-KOLCDFICSA-N -1 0 306.387 3.403 50 0 DGAARM CCc1cc2c(cc1[O-])occ(-n1cnc3ccccc31)c2=O ZINC000004079707 181070573 /nfs/dbraw/zinc/07/05/73/181070573.db2.gz KHSMWQLOSRGSON-UHFFFAOYSA-N -1 0 306.321 3.400 50 0 DGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000004553690 181123681 /nfs/dbraw/zinc/12/36/81/181123681.db2.gz QLDGBUNDYTVRIZ-HOTGVXAUSA-N -1 0 315.394 3.054 50 0 DGAARM COc1ccc(Cl)cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004652033 181132152 /nfs/dbraw/zinc/13/21/52/181132152.db2.gz YTFBBZBPPGLVCE-QWRGUYRKSA-N -1 0 311.765 3.178 50 0 DGAARM O=C([O-])c1ccc(CSc2ncn(-c3ccccc3)n2)cc1 ZINC000004777922 181151176 /nfs/dbraw/zinc/15/11/76/181151176.db2.gz RWTOSAHOYJUGSF-UHFFFAOYSA-N -1 0 311.366 3.258 50 0 DGAARM COc1cc(Cl)ccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004796067 181153164 /nfs/dbraw/zinc/15/31/64/181153164.db2.gz ABWLUQPKKNUSCI-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)Cc2cccc3ccccc32)cc1 ZINC000004841594 181161472 /nfs/dbraw/zinc/16/14/72/181161472.db2.gz HYFWPILMJCRNMG-UHFFFAOYSA-N -1 0 319.360 3.397 50 0 DGAARM CCOc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000004903655 181170767 /nfs/dbraw/zinc/17/07/67/181170767.db2.gz HSLAJWAACNATSJ-HOTGVXAUSA-N -1 0 317.385 3.471 50 0 DGAARM O=C([O-])CC1(CC(=O)N2CCC(n3cccc3)CC2)CCCC1 ZINC000000118256 304043304 /nfs/dbraw/zinc/04/33/04/304043304.db2.gz KZBFEDIBYNYLIB-UHFFFAOYSA-N -1 0 318.417 3.077 50 0 DGAARM COc1ccc(OC)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000004949116 181178377 /nfs/dbraw/zinc/17/83/77/181178377.db2.gz WTMFAWFZALOHRV-UHFFFAOYSA-N -1 0 321.373 3.068 50 0 DGAARM CC[C@@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000005049380 181196915 /nfs/dbraw/zinc/19/69/15/181196915.db2.gz XFANXHYEYYRCSD-SSDOTTSWSA-N -1 0 300.152 3.132 50 0 DGAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000005127076 181207450 /nfs/dbraw/zinc/20/74/50/181207450.db2.gz VRUNMAXARPEKOE-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CC(C)c1nc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000236821245 202026888 /nfs/dbraw/zinc/02/68/88/202026888.db2.gz KJRIQLXOKJUIGN-LLVKDONJSA-N -1 0 310.419 3.126 50 0 DGAARM Cc1cc(C)cc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000005154425 181210658 /nfs/dbraw/zinc/21/06/58/181210658.db2.gz XEFSFYKTTFZQNA-UHFFFAOYSA-N -1 0 324.359 3.255 50 0 DGAARM Cc1cccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)c1C ZINC000005154372 181211291 /nfs/dbraw/zinc/21/12/91/181211291.db2.gz GSWSQFSGGQCRDL-UHFFFAOYSA-N -1 0 324.359 3.255 50 0 DGAARM O=c1nc(CSc2nc3ccccc3[nH]2)[n-]c2ccsc21 ZINC000005263166 181223544 /nfs/dbraw/zinc/22/35/44/181223544.db2.gz GVQWQNFYMZSGHP-UHFFFAOYSA-N -1 0 314.395 3.153 50 0 DGAARM CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000005303223 181227787 /nfs/dbraw/zinc/22/77/87/181227787.db2.gz WZDMXYYQAYNZII-LBPRGKRZSA-N -1 0 322.792 3.061 50 0 DGAARM CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000005324593 181229782 /nfs/dbraw/zinc/22/97/82/181229782.db2.gz AQKHKSFQWRDSEV-OTYXRUKQSA-N -1 0 322.792 3.061 50 0 DGAARM Cc1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000005730524 181277677 /nfs/dbraw/zinc/27/76/77/181277677.db2.gz RRWMIDSPFXYJQD-UHFFFAOYSA-N -1 0 310.305 3.069 50 0 DGAARM CC[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236954420 202091399 /nfs/dbraw/zinc/09/13/99/202091399.db2.gz VGHCCSHWAZWLAU-GDBMZVCRSA-N -1 0 303.402 3.284 50 0 DGAARM CSCC[C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000170612825 432074144 /nfs/dbraw/zinc/07/41/44/432074144.db2.gz HMAQYAQSLGBRHX-CQSZACIVSA-N -1 0 321.398 3.368 50 0 DGAARM O=C([O-])c1cc(Nc2ccnc(Nc3ccccc3)n2)ccc1O ZINC000170621818 432074529 /nfs/dbraw/zinc/07/45/29/432074529.db2.gz ZHBSEFGBICTVGC-UHFFFAOYSA-N -1 0 322.324 3.368 50 0 DGAARM COc1ccc([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000237276471 202214764 /nfs/dbraw/zinc/21/47/64/202214764.db2.gz SRIRSWXFUZNNJT-OAHLLOKOSA-N -1 0 319.401 3.250 50 0 DGAARM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1F ZINC000237406049 202256497 /nfs/dbraw/zinc/25/64/97/202256497.db2.gz MHPAFERZBDXATF-STQMWFEESA-N -1 0 307.365 3.175 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000237641801 202313297 /nfs/dbraw/zinc/31/32/97/202313297.db2.gz FQLPJDZDOBKMAB-HXUWFJFHSA-N -1 0 323.392 3.142 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000237982707 202411611 /nfs/dbraw/zinc/41/16/11/202411611.db2.gz YKQNAAVIKRWYAK-CQSZACIVSA-N -1 0 307.365 3.004 50 0 DGAARM O=C([O-])Cn1nc(C2CC2)c2c1nccc2-c1ccc(F)cc1 ZINC000012395292 304091597 /nfs/dbraw/zinc/09/15/97/304091597.db2.gz RXOFCKLUEPDJMK-UHFFFAOYSA-N -1 0 311.316 3.199 50 0 DGAARM O=S(=O)([N-]c1ccccn1)c1ccc(Cl)cc1Cl ZINC000005985660 181303732 /nfs/dbraw/zinc/30/37/32/181303732.db2.gz YXNVVONUPXOWTD-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM CCCN(CC(=O)[O-])C(=O)c1csc(-c2ccccc2C)n1 ZINC000195541768 201404214 /nfs/dbraw/zinc/40/42/14/201404214.db2.gz LROQFGMRWNEDPX-UHFFFAOYSA-N -1 0 318.398 3.055 50 0 DGAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000006601468 181360252 /nfs/dbraw/zinc/36/02/52/181360252.db2.gz ZTNTYYMZZGWHAV-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C ZINC000006667887 181367994 /nfs/dbraw/zinc/36/79/94/181367994.db2.gz AZDDMIVAASRSRM-UHFFFAOYSA-N -1 0 311.790 3.463 50 0 DGAARM CCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000006706947 181376107 /nfs/dbraw/zinc/37/61/07/181376107.db2.gz GTFXGZJOMOZQAC-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM O=C([O-])c1cncc(-c2ccccc2OCc2ccccc2)n1 ZINC000215114212 201449728 /nfs/dbraw/zinc/44/97/28/201449728.db2.gz SRKDGAUOBQNZAH-UHFFFAOYSA-N -1 0 306.321 3.421 50 0 DGAARM C[C@H](Cc1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263206017 203445698 /nfs/dbraw/zinc/44/56/98/203445698.db2.gz VWMXEQRRTQUVMP-LKSINWNRSA-N -1 0 323.820 3.278 50 0 DGAARM Cc1[nH]ccc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095368184 193433954 /nfs/dbraw/zinc/43/39/54/193433954.db2.gz JDMNBKDSBAIATO-HNNXBMFYSA-N -1 0 312.369 3.041 50 0 DGAARM Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000096479493 193663054 /nfs/dbraw/zinc/66/30/54/193663054.db2.gz CRBGGEFONGVWSX-GFCCVEGCSA-N -1 0 322.430 3.046 50 0 DGAARM CC(C)c1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1 ZINC000018240891 182099976 /nfs/dbraw/zinc/09/99/76/182099976.db2.gz RJNOSVWSJYWYOS-UHFFFAOYSA-N -1 0 300.387 3.246 50 0 DGAARM Cc1cc(=O)oc2c(C)c(OCc3n[n-]c(=S)o3)ccc12 ZINC000019923636 182165036 /nfs/dbraw/zinc/16/50/36/182165036.db2.gz VCOLFAJUPFYKHD-UHFFFAOYSA-N -1 0 304.327 3.034 50 0 DGAARM C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000020096639 182186315 /nfs/dbraw/zinc/18/63/15/182186315.db2.gz KDOXGSOWVZEHFW-CYBMUJFWSA-N -1 0 313.353 3.282 50 0 DGAARM C[C@@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC000000084877 296213914 /nfs/dbraw/zinc/21/39/14/296213914.db2.gz FXFLKQRNKXZSGQ-JGVFFNPUSA-N -1 0 308.428 3.381 50 0 DGAARM CCOc1ccccc1/C=C(/NC(=O)C1CCCCC1)C(=O)[O-] ZINC000024829391 182392410 /nfs/dbraw/zinc/39/24/10/182392410.db2.gz XFILJVLZNVNROD-NTCAYCPXSA-N -1 0 317.385 3.207 50 0 DGAARM COc1ccc([C@@H]2CC[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C)cc1 ZINC000098095671 193785315 /nfs/dbraw/zinc/78/53/15/193785315.db2.gz PLHOSPLRVLUAEX-UONOGXRCSA-N -1 0 321.373 3.220 50 0 DGAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)OCC)c1=O ZINC000101101963 193808598 /nfs/dbraw/zinc/80/85/98/193808598.db2.gz GCFJEMAEXQXJRC-UHFFFAOYSA-N -1 0 317.385 3.464 50 0 DGAARM Cc1cc([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)s1 ZINC000037500802 182901037 /nfs/dbraw/zinc/90/10/37/182901037.db2.gz DHXUZJNJRIACGI-DRZSPHRISA-N -1 0 307.415 3.209 50 0 DGAARM O=C([O-])CCc1cccc(CNC(=O)OCc2ccccc2)c1 ZINC000039952263 183024005 /nfs/dbraw/zinc/02/40/05/183024005.db2.gz BSBCLJIXIYMPBW-UHFFFAOYSA-N -1 0 313.353 3.130 50 0 DGAARM CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000040449460 183068333 /nfs/dbraw/zinc/06/83/33/183068333.db2.gz PTSFFRFRABIDJJ-LBPRGKRZSA-N -1 0 305.374 3.499 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000043583629 183373376 /nfs/dbraw/zinc/37/33/76/183373376.db2.gz QJUYPQBTGYBBAX-JTQLQIEISA-N -1 0 313.756 3.196 50 0 DGAARM Cc1ccc(C(=O)N(C)C)c(C)c1Nc1ccccc1C(=O)[O-] ZINC000044124688 183395497 /nfs/dbraw/zinc/39/54/97/183395497.db2.gz UXIDTNLTZIWCCN-UHFFFAOYSA-N -1 0 312.369 3.447 50 0 DGAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000268934685 207099309 /nfs/dbraw/zinc/09/93/09/207099309.db2.gz MMSWVGVBUIPNGT-VHSXEESVSA-N -1 0 316.184 3.030 50 0 DGAARM CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000058364572 184109181 /nfs/dbraw/zinc/10/91/81/184109181.db2.gz AGLXGSQCNODDHW-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM O=C([O-])c1cnc(/C=C/c2cnc(-c3ccccc3)nc2)s1 ZINC000058391951 184111070 /nfs/dbraw/zinc/11/10/70/184111070.db2.gz HTQLPUKYDKWYTK-VOTSOKGWSA-N -1 0 309.350 3.469 50 0 DGAARM CCOc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1OC ZINC000058391607 184111092 /nfs/dbraw/zinc/11/10/92/184111092.db2.gz JPNZDSCUVHTIGR-FNORWQNLSA-N -1 0 305.355 3.419 50 0 DGAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc(F)c(F)c1 ZINC000066091369 184388600 /nfs/dbraw/zinc/38/86/00/184388600.db2.gz JQVMSLKAANKAEC-LURJTMIESA-N -1 0 310.281 3.243 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000269214486 207333651 /nfs/dbraw/zinc/33/36/51/207333651.db2.gz XNZWXDOQTVFOPA-LLVKDONJSA-N -1 0 319.357 3.101 50 0 DGAARM O=C([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12 ZINC000015020382 304272200 /nfs/dbraw/zinc/27/22/00/304272200.db2.gz SXHVLMWQNVEPAR-UHFFFAOYSA-N -1 0 317.142 3.462 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000239030658 257234425 /nfs/dbraw/zinc/23/44/25/257234425.db2.gz CEHUAPDITCBLMG-CWRNSKLLSA-N -1 0 303.402 3.372 50 0 DGAARM O=C([O-])c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000226832 304280236 /nfs/dbraw/zinc/28/02/36/304280236.db2.gz LYZQKJPJPOCQQM-MNOVXSKESA-N -1 0 311.263 3.242 50 0 DGAARM CC1=CC(=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)CC(C)(C)C1 ZINC000001098957 400080183 /nfs/dbraw/zinc/08/01/83/400080183.db2.gz HTROGAJFRPSZMM-JTQLQIEISA-N -1 0 309.391 3.011 50 0 DGAARM O=C1NC(=S)NC1=Cc1c2ccccc2cc2ccccc21 ZINC000001504932 400081149 /nfs/dbraw/zinc/08/11/49/400081149.db2.gz MPCVOKZZRKEXSD-MHWRWJLKSA-N -1 0 304.374 3.338 50 0 DGAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000097231344 400283641 /nfs/dbraw/zinc/28/36/41/400283641.db2.gz RDJYOJKWORSUMG-MCIONIFRSA-N -1 0 315.394 3.102 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1O ZINC000075094447 400558178 /nfs/dbraw/zinc/55/81/78/400558178.db2.gz JMDYYQAILIQDDF-UHFFFAOYSA-N -1 0 315.753 3.294 50 0 DGAARM O=c1[nH]c2ccccc2c([O-])c1-c1nc(-c2ccc(F)cc2)no1 ZINC000075536623 400592417 /nfs/dbraw/zinc/59/24/17/400592417.db2.gz BOMPOECQELXAMI-UHFFFAOYSA-N -1 0 323.283 3.090 50 0 DGAARM O=C([O-])/C=C/c1csc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000170617533 400767650 /nfs/dbraw/zinc/76/76/50/400767650.db2.gz ZLQNKEYRAOUMQP-KQQUZDAGSA-N -1 0 302.311 3.320 50 0 DGAARM COC(=O)c1ccc(/C=C\c2nc(/C=C\C(=O)[O-])cs2)cc1 ZINC000606443962 400913006 /nfs/dbraw/zinc/91/30/06/400913006.db2.gz KQSKZEROBOMPCX-CKCLTMHVSA-N -1 0 315.350 3.198 50 0 DGAARM COC(=O)c1ccc(/C=C/c2nc(/C=C\C(=O)[O-])cs2)cc1 ZINC000606443964 400913477 /nfs/dbraw/zinc/91/34/77/400913477.db2.gz KQSKZEROBOMPCX-ZSITZFGTSA-N -1 0 315.350 3.198 50 0 DGAARM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc3c1CCC3)C2 ZINC000621558403 401252769 /nfs/dbraw/zinc/25/27/69/401252769.db2.gz FCQQXUPLATVNSC-UHFFFAOYSA-N -1 0 307.349 3.030 50 0 DGAARM C[C@H](NC(=O)C1CCC=CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000634804611 401351144 /nfs/dbraw/zinc/35/11/44/401351144.db2.gz NFHMPPNHCALCKX-ZDUSSCGKSA-N -1 0 317.385 3.074 50 0 DGAARM Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000239433991 228617118 /nfs/dbraw/zinc/61/71/18/228617118.db2.gz YWCJWEKQAAACAB-SOUVJXGZSA-N -1 0 303.402 3.372 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000347519429 264234391 /nfs/dbraw/zinc/23/43/91/264234391.db2.gz NYRDBIRALVBZCR-MJSXRHKHSA-N -1 0 319.376 3.475 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C/C=C\c2cccc(F)c2)C1 ZINC000347534056 264236606 /nfs/dbraw/zinc/23/66/06/264236606.db2.gz YHRLJSMJYRWGAQ-PRSOIBJXSA-N -1 0 319.376 3.332 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C/C=C\c1cccc(F)c1 ZINC000347535156 264237162 /nfs/dbraw/zinc/23/71/62/264237162.db2.gz ZITXUSMQFLEHJL-DQOPKJQZSA-N -1 0 319.376 3.475 50 0 DGAARM O=C([O-])c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000037686 431114838 /nfs/dbraw/zinc/11/48/38/431114838.db2.gz NOJPLFKBINIONR-INIZCTEOSA-N -1 0 313.378 3.159 50 0 DGAARM CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000144471 431134002 /nfs/dbraw/zinc/13/40/02/431134002.db2.gz LVTJEOZORQRCOE-GJZGRUSLSA-N -1 0 305.374 3.303 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000000162521 431137226 /nfs/dbraw/zinc/13/72/26/431137226.db2.gz ZDWOYDIXKYSZPX-UHFFFAOYSA-N -1 0 305.374 3.040 50 0 DGAARM COc1ccccc1NC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000190223 431141964 /nfs/dbraw/zinc/14/19/64/431141964.db2.gz UHVXTHWPROQFCT-GTNSWQLSSA-N -1 0 305.374 3.161 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000000340782 431168420 /nfs/dbraw/zinc/16/84/20/431168420.db2.gz MVVMUFGXEHCLPW-AWEZNQCLSA-N -1 0 303.745 3.286 50 0 DGAARM Cc1ccc(SCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000000367912 431173442 /nfs/dbraw/zinc/17/34/42/431173442.db2.gz HNVAMWXFUZOMHV-UHFFFAOYSA-N -1 0 317.366 3.130 50 0 DGAARM COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1O ZINC000000470395 431188340 /nfs/dbraw/zinc/18/83/40/431188340.db2.gz NSCATLLWCZMPPH-UHFFFAOYSA-N -1 0 307.733 3.072 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000000528142 431195836 /nfs/dbraw/zinc/19/58/36/431195836.db2.gz UXOPIYDMLDCLEB-UHFFFAOYSA-N -1 0 309.412 3.218 50 0 DGAARM Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000000545715 431197896 /nfs/dbraw/zinc/19/78/96/431197896.db2.gz DMKHOJZGXPIOEK-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM CC(C)[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000237022 431150828 /nfs/dbraw/zinc/15/08/28/431150828.db2.gz LIMVIAAFVRRCLD-LBPRGKRZSA-N -1 0 305.403 3.091 50 0 DGAARM CCc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(F)cc1 ZINC000000248736 431154929 /nfs/dbraw/zinc/15/49/29/431154929.db2.gz FSVCMLWXLKTHRU-UHFFFAOYSA-N -1 0 322.361 3.315 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000265479 431157359 /nfs/dbraw/zinc/15/73/59/431157359.db2.gz SFCROKYNRQQVIP-KDOFPFPSSA-N -1 0 317.385 3.355 50 0 DGAARM CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000000984373 431209701 /nfs/dbraw/zinc/20/97/01/431209701.db2.gz QIZDHZMUNRZKRJ-UHFFFAOYSA-N -1 0 323.348 3.483 50 0 DGAARM O=C1[N-]C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)N1 ZINC000000858550 431210452 /nfs/dbraw/zinc/21/04/52/431210452.db2.gz XEZGXZOPDHWWAF-YRNVUSSQSA-N -1 0 320.757 3.265 50 0 aggregator DGAARM CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000001846916 431239790 /nfs/dbraw/zinc/23/97/90/431239790.db2.gz OELFLUMRDSZNSF-JCYILVPMSA-N -1 0 317.429 3.261 50 0 in-vitro DGAARM CCc1ccc2oc(-c3ccco3)c(OCC(=O)[O-])c(=O)c2c1 ZINC000001987834 431242854 /nfs/dbraw/zinc/24/28/54/431242854.db2.gz NEZJAQMWNPLZAV-UHFFFAOYSA-N -1 0 314.293 3.079 50 0 DGAARM CCC[C@@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)[O-] ZINC000002376983 431251358 /nfs/dbraw/zinc/25/13/58/431251358.db2.gz BOFKKFJIDCHDRH-ZDUSSCGKSA-N -1 0 315.373 3.092 50 0 DGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000002465202 431251614 /nfs/dbraw/zinc/25/16/14/431251614.db2.gz WLHZDUOUJSLXGC-UHFFFAOYSA-N -1 0 314.366 3.044 50 0 DGAARM Cn1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000002550640 431256980 /nfs/dbraw/zinc/25/69/80/431256980.db2.gz UJHUMEYJIHQQRE-UHFFFAOYSA-N -1 0 313.140 3.282 50 0 DGAARM CC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@]1(C)C(=O)[O-] ZINC000006085704 431316427 /nfs/dbraw/zinc/31/64/27/431316427.db2.gz HVTWIDRZXOVYOX-KPZWWZAWSA-N -1 0 324.384 3.272 50 0 DGAARM CCc1cc2c(cc1O[C@@H](C)C(=O)[O-])oc(=O)c1c2CCCC1 ZINC000004151971 431298589 /nfs/dbraw/zinc/29/85/89/431298589.db2.gz VTUPDIIYFYUVOL-JTQLQIEISA-N -1 0 316.353 3.086 50 0 DGAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1Cc1cccnc1 ZINC000004370970 431299758 /nfs/dbraw/zinc/29/97/58/431299758.db2.gz XZIXKGFKSOOKAQ-UHFFFAOYSA-N -1 0 309.350 3.249 50 0 DGAARM CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O ZINC000005550270 431310888 /nfs/dbraw/zinc/31/08/88/431310888.db2.gz CDEHCKCDXDGRSX-ZPBHHCQCSA-N -1 0 305.355 3.220 50 0 DGAARM Cc1ccc(S(=O)(=O)[N-]c2ncnc3sccc32)cc1C ZINC000002641924 431261428 /nfs/dbraw/zinc/26/14/28/431261428.db2.gz VZPYCWJHFSMFHB-UHFFFAOYSA-N -1 0 319.411 3.109 50 0 DGAARM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002763420 431265914 /nfs/dbraw/zinc/26/59/14/431265914.db2.gz UICRLLUGIDJHIU-JTQLQIEISA-N -1 0 319.744 3.444 50 0 DGAARM CCCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000002906107 431274347 /nfs/dbraw/zinc/27/43/47/431274347.db2.gz NJAPPTUEIXBLNI-CVEARBPZSA-N -1 0 317.385 3.471 50 0 DGAARM CC(C)c1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000007056163 431330890 /nfs/dbraw/zinc/33/08/90/431330890.db2.gz TYKCPRMAOZYIQP-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM O=S(=O)([N-]C1CCCCCCC1)c1c(F)cccc1F ZINC000007375680 431344566 /nfs/dbraw/zinc/34/45/66/431344566.db2.gz FFKGXDLHTAHIAM-UHFFFAOYSA-N -1 0 303.374 3.356 50 0 DGAARM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000007708587 431359287 /nfs/dbraw/zinc/35/92/87/431359287.db2.gz DCIJAZGWSDHWED-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM O=C([O-])COc1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000008906247 431414189 /nfs/dbraw/zinc/41/41/89/431414189.db2.gz IXSDHSVHDZRVKW-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM COc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c(OC)c1 ZINC000008984844 431418676 /nfs/dbraw/zinc/41/86/76/431418676.db2.gz BMSOTIHPZGOMGV-UHFFFAOYSA-N -1 0 307.733 3.315 50 0 DGAARM CCOc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000008705534 431406540 /nfs/dbraw/zinc/40/65/40/431406540.db2.gz UAUOWLZDMUENIF-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM O=c1nc(Nc2ccc(Cl)cc2)[n-]nc1Cc1ccccc1 ZINC000008737877 431410506 /nfs/dbraw/zinc/41/05/06/431410506.db2.gz XAGXZVRLVRWDEI-UHFFFAOYSA-N -1 0 312.760 3.153 50 0 DGAARM COc1ccc(-c2cc(=O)n(-c3ccccc3C)[n-]2)cc1OC ZINC000009937114 431448928 /nfs/dbraw/zinc/44/89/28/431448928.db2.gz PMEPUMWEOLCWNQ-UHFFFAOYSA-N -1 0 310.353 3.158 50 0 DGAARM COc1ccc(C(=O)c2c[nH]nc2-c2ccc(C)cc2O)cc1 ZINC000009271685 431427591 /nfs/dbraw/zinc/42/75/91/431427591.db2.gz GXNIMRIGMDONNI-UHFFFAOYSA-N -1 0 308.337 3.330 50 0 DGAARM O=C(Nc1cc(-c2ccccc2)no1)[C@@H]1COc2ccccc2O1 ZINC000009306226 431428405 /nfs/dbraw/zinc/42/84/05/431428405.db2.gz ZYOGVYXIWVXJBN-INIZCTEOSA-N -1 0 322.320 3.120 50 0 DGAARM COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000012552660 431516468 /nfs/dbraw/zinc/51/64/68/431516468.db2.gz HAFVSBVRUQDXJM-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM Cc1cccc(CSc2nnc(-c3ccccc3)c(=O)[n-]2)c1 ZINC000011990971 431487934 /nfs/dbraw/zinc/48/79/34/431487934.db2.gz NRGSJWDZBQXHHV-UHFFFAOYSA-N -1 0 309.394 3.433 50 0 DGAARM O=C([O-])Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000012243759 431500015 /nfs/dbraw/zinc/50/00/15/431500015.db2.gz KHIGNDLKHUZIEQ-UHFFFAOYSA-N -1 0 303.261 3.336 50 0 DGAARM O=C([O-])CCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000012937285 431537774 /nfs/dbraw/zinc/53/77/74/431537774.db2.gz DBLNNYJMIWSTDR-UHFFFAOYSA-N -1 0 307.346 3.149 50 0 DGAARM CSc1ccc([C@@H](NCc2ccccc2)[P@@](=O)([O-])O)cc1 ZINC000012997477 431542164 /nfs/dbraw/zinc/54/21/64/431542164.db2.gz UUUJSCXPTTYYCP-HNNXBMFYSA-N -1 0 323.354 3.375 50 0 DGAARM CCc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013264833 431552610 /nfs/dbraw/zinc/55/26/10/431552610.db2.gz QYJJZAPDRKVONU-UHFFFAOYSA-N -1 0 319.382 3.056 50 0 DGAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1cccnc1)CCC3 ZINC000017053505 431615447 /nfs/dbraw/zinc/61/54/47/431615447.db2.gz WECJVANVRAMITN-UHFFFAOYSA-N -1 0 315.423 3.053 50 0 DGAARM Cc1noc(C)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000084075070 431813908 /nfs/dbraw/zinc/81/39/08/431813908.db2.gz JRKPNKQAHOTFKY-UHFFFAOYSA-N -1 0 308.403 3.326 50 0 DGAARM Cc1cn2c(nc(C)c2CNc2ccc(C(=O)[O-])cc2)s1 ZINC000037506497 431848027 /nfs/dbraw/zinc/84/80/27/431848027.db2.gz FZVSEXXRBXPNDU-UHFFFAOYSA-N -1 0 301.371 3.323 50 0 DGAARM Cc1noc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000089643362 431873627 /nfs/dbraw/zinc/87/36/27/431873627.db2.gz YFMYWLDCDDLHKY-UHFFFAOYSA-N -1 0 300.767 3.054 50 0 DGAARM Cc1ccc(C[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000035141832 431826178 /nfs/dbraw/zinc/82/61/78/431826178.db2.gz BJMZTVIKOGEZQZ-AWEZNQCLSA-N -1 0 315.344 3.406 50 0 DGAARM CCSCCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380769 431924105 /nfs/dbraw/zinc/92/41/05/431924105.db2.gz SCCUMAAOFZRWRI-OAHLLOKOSA-N -1 0 321.442 3.234 50 0 DGAARM C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000089905021 431884666 /nfs/dbraw/zinc/88/46/66/431884666.db2.gz IAIVCHBCZCLTDV-ZJUUUORDSA-N -1 0 315.822 3.218 50 0 DGAARM CCc1nn2c([n-]1)nc(C)c(Cc1ccc(C(C)C)cc1)c2=O ZINC000100131697 431980972 /nfs/dbraw/zinc/98/09/72/431980972.db2.gz WNEKJYFKRPMXBM-UHFFFAOYSA-N -1 0 310.401 3.003 50 0 DGAARM CC[C@](C)(NC(=O)c1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000095976720 431931140 /nfs/dbraw/zinc/93/11/40/431931140.db2.gz MJZGIVIIGJTJOV-INIZCTEOSA-N -1 0 318.398 3.205 50 0 DGAARM Cc1n[n-]c(SCc2ccc(Cl)cc2Cl)nc1=O ZINC000096316547 431944821 /nfs/dbraw/zinc/94/48/21/431944821.db2.gz JBHRBFPAOPVRHM-UHFFFAOYSA-N -1 0 302.186 3.072 50 0 DGAARM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cnn(CC)c1 ZINC000096415627 431946735 /nfs/dbraw/zinc/94/67/35/431946735.db2.gz QSJZZOFBPDKAEF-ZDUSSCGKSA-N -1 0 307.781 3.143 50 0 DGAARM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000096480295 431952713 /nfs/dbraw/zinc/95/27/13/431952713.db2.gz DKQFLUZKJFOGRU-CXAGYDPISA-N -1 0 315.369 3.099 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)c2cccc(F)c2Cl)cc1 ZINC000096479415 431952935 /nfs/dbraw/zinc/95/29/35/431952935.db2.gz ZPKOLUVZIOUCFI-UHFFFAOYSA-N -1 0 307.708 3.107 50 0 DGAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000097035412 431956874 /nfs/dbraw/zinc/95/68/74/431956874.db2.gz SAQXEAPWOQJBJZ-NSHDSACASA-N -1 0 320.776 3.031 50 0 DGAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000097035850 431956908 /nfs/dbraw/zinc/95/69/08/431956908.db2.gz QIRDMHDXPJEURN-UONOGXRCSA-N -1 0 315.394 3.175 50 0 DGAARM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1cc2ccccc2o1 ZINC000097036061 431956949 /nfs/dbraw/zinc/95/69/49/431956949.db2.gz CZSNDRHADIPNGR-SNVBAGLBSA-N -1 0 313.309 3.144 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)[nH]1 ZINC000097035286 431957059 /nfs/dbraw/zinc/95/70/59/431957059.db2.gz FTIVEEBLFMQOJE-ZDUSSCGKSA-N -1 0 320.776 3.231 50 0 DGAARM Cc1cscc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000097035317 431957129 /nfs/dbraw/zinc/95/71/29/431957129.db2.gz JFFRGHAHCNANFK-CYBMUJFWSA-N -1 0 307.346 3.141 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000097036739 431957342 /nfs/dbraw/zinc/95/73/42/431957342.db2.gz QJRKHNDGXABWSW-HNNXBMFYSA-N -1 0 313.353 3.274 50 0 DGAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000097228699 431964864 /nfs/dbraw/zinc/96/48/64/431964864.db2.gz VIUAJIBJFQRJAH-PXAZEXFGSA-N -1 0 322.364 3.360 50 0 DGAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCc1ccccc1 ZINC000100072441 431980756 /nfs/dbraw/zinc/98/07/56/431980756.db2.gz MNFFICJIDDLAAP-UHFFFAOYSA-N -1 0 308.385 3.078 50 0 DGAARM COc1ccc(-c2csc(-n3[n-]c(C)c(C)c3=O)n2)cc1 ZINC000100563025 431982118 /nfs/dbraw/zinc/98/21/18/431982118.db2.gz WLMFAVQCCLKVMA-SECBINFHSA-N -1 0 301.371 3.177 50 0 DGAARM CC(C)(C)c1cc(/C=C2/NC(=O)[N-]C2=O)cc(C(C)(C)C)c1O ZINC000101383224 431984144 /nfs/dbraw/zinc/98/41/44/431984144.db2.gz AVKZHMHSYRISOT-UKTHLTGXSA-N -1 0 316.401 3.168 50 0 DGAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1cccc(C)c1 ZINC000101176379 431983571 /nfs/dbraw/zinc/98/35/71/431983571.db2.gz NWPHXWCYADIPEV-UHFFFAOYSA-N -1 0 308.385 3.192 50 0 DGAARM CC(C)c1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000101680286 431987866 /nfs/dbraw/zinc/98/78/66/431987866.db2.gz VBYKKIZPTRQUGC-MRXNPFEDSA-N -1 0 322.364 3.054 50 0 DGAARM CCn1nc(C)c(C(C)=NNc2ccc(C(=O)[O-])cc2)c1C ZINC000252475353 432377001 /nfs/dbraw/zinc/37/70/01/432377001.db2.gz YYXSKBFRGQVZKT-UHFFFAOYSA-N -1 0 300.362 3.054 50 0 DGAARM Cc1ccc(-c2n[nH]cc2C=NNc2ccc(C(=O)[O-])cc2)o1 ZINC000252453040 432377147 /nfs/dbraw/zinc/37/71/47/432377147.db2.gz YAGHKWDPNHNYDE-UHFFFAOYSA-N -1 0 310.313 3.122 50 0 DGAARM Cc1cccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000193062949 432444111 /nfs/dbraw/zinc/44/41/11/432444111.db2.gz OZGVLVJUVHFJFH-IBGZPJMESA-N -1 0 311.381 3.076 50 0 DGAARM Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])co2)n1 ZINC000262418802 432485218 /nfs/dbraw/zinc/48/52/18/432485218.db2.gz ZZWAVWMTDLGQSH-NSHDSACASA-N -1 0 320.370 3.110 50 0 DGAARM Cc1scc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000263525099 432553681 /nfs/dbraw/zinc/55/36/81/432553681.db2.gz JLCJMIPTONSYMN-KRWDZBQOSA-N -1 0 317.410 3.137 50 0 DGAARM CC[C@@](NC(=O)[C@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000263158935 432524771 /nfs/dbraw/zinc/52/47/71/432524771.db2.gz OOTSIBGXJIRPIB-KUHUBIRLSA-N -1 0 311.381 3.296 50 0 DGAARM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(C(=O)[O-])c1 ZINC000263458821 432546711 /nfs/dbraw/zinc/54/67/11/432546711.db2.gz VCSOJHDETAVVCH-MRXNPFEDSA-N -1 0 312.369 3.393 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263487538 432548072 /nfs/dbraw/zinc/54/80/72/432548072.db2.gz NFLBHHPLFZLSAM-GFCCVEGCSA-N -1 0 316.382 3.354 50 0 DGAARM Cc1oc(CN(C)C(=O)/C=C\c2ccsc2)cc1C(=O)[O-] ZINC000221917140 432669192 /nfs/dbraw/zinc/66/91/92/432669192.db2.gz KZWYJZLVFNIYIO-ARJAWSKDSA-N -1 0 305.355 3.020 50 0 DGAARM O=C([O-])c1ccnc(/C=C/c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000225395338 432689438 /nfs/dbraw/zinc/68/94/38/432689438.db2.gz QQDCYSFQGQUKKQ-OWOJBTEDSA-N -1 0 317.728 3.375 50 0 DGAARM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000236764584 432764238 /nfs/dbraw/zinc/76/42/38/432764238.db2.gz KQRSQIDMOFWIGH-UHFFFAOYSA-N -1 0 323.820 3.232 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000237964368 432806038 /nfs/dbraw/zinc/80/60/38/432806038.db2.gz URVBTXPQICKTLP-MAZHCROVSA-N -1 0 319.376 3.033 50 0 DGAARM C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000239439024 432814803 /nfs/dbraw/zinc/81/48/03/432814803.db2.gz ZIPFLVNUPROOQC-ZXYWRSMDSA-N -1 0 317.429 3.261 50 0 DGAARM O=C([O-])c1cc(-c2cccc3ccsc32)cc(-n2cnnn2)c1 ZINC000299796333 433386055 /nfs/dbraw/zinc/38/60/55/433386055.db2.gz QPHAOHVAFAUMIF-UHFFFAOYSA-N -1 0 322.349 3.242 50 0 DGAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000096404937 298183023 /nfs/dbraw/zinc/18/30/23/298183023.db2.gz UIBCVILTCVICCE-BLLLJJGKSA-N -1 0 315.344 3.261 50 0 DGAARM CC[C@@H](C)n1ncc2c1nc(/C=C\c1cocn1)cc2C(=O)[O-] ZINC000568518958 435444866 /nfs/dbraw/zinc/44/48/66/435444866.db2.gz VHERXNJOKIROLD-UMCURTJPSA-N -1 0 312.329 3.259 50 0 DGAARM Cc1cc(=O)oc2cc(-c3nc4cc(C(=O)[O-])ccc4[nH]3)ccc12 ZINC000055054031 301068609 /nfs/dbraw/zinc/06/86/09/301068609.db2.gz OZKKNNBUAHJSTK-UHFFFAOYSA-N -1 0 320.304 3.343 50 0 DGAARM Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000653333095 436163395 /nfs/dbraw/zinc/16/33/95/436163395.db2.gz KYQKETDSVUBCGG-GJZGRUSLSA-N -1 0 315.394 3.408 50 0 DGAARM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000096480298 301574136 /nfs/dbraw/zinc/57/41/36/301574136.db2.gz DKQFLUZKJFOGRU-DYVFJYSZSA-N -1 0 315.369 3.099 50 0 DGAARM Cc1ccc(N2C(=O)C[C@@H](C(=O)[O-])[C@H]2c2cccs2)cc1 ZINC000003888161 301622612 /nfs/dbraw/zinc/62/26/12/301622612.db2.gz PRTGINCKDPPNSZ-DOMZBBRYSA-N -1 0 301.367 3.235 50 0 DGAARM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000237576775 302223988 /nfs/dbraw/zinc/22/39/88/302223988.db2.gz BSVYFFMPSGZZJT-STQMWFEESA-N -1 0 313.353 3.304 50 0 DGAARM Cc1nn2c(nc(C(=O)[O-])cc2C)c1-c1ccc(Cl)cc1 ZINC000034925880 302807541 /nfs/dbraw/zinc/80/75/41/302807541.db2.gz XDILDFJBSLZKDC-UHFFFAOYSA-N -1 0 301.733 3.365 50 0 DGAARM Cc1sc2ncn([C@@H](C)C(=O)[O-])c(=O)c2c1-c1ccccc1 ZINC000000145964 302883035 /nfs/dbraw/zinc/88/30/35/302883035.db2.gz FKCUETDTVPYQKU-VIFPVBQESA-N -1 0 314.366 3.079 50 0 DGAARM O=c1c2ccc([O-])cc2occ1-c1ccc2c(c1)OCCCO2 ZINC000005731261 304816232 /nfs/dbraw/zinc/81/62/32/304816232.db2.gz LCOWSUJCLFXLNN-UHFFFAOYSA-N -1 0 310.305 3.327 50 0 biogenic DGAARM CCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000009780239 331516436 /nfs/dbraw/zinc/51/64/36/331516436.db2.gz ATZGIGYGIUMTOM-LSDHHAIUSA-N -1 0 305.374 3.305 50 0 DGAARM Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000075082624 331947213 /nfs/dbraw/zinc/94/72/13/331947213.db2.gz PITNBGUEBNDWKV-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM CC(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000007055484 333002609 /nfs/dbraw/zinc/00/26/09/333002609.db2.gz ICVXZEZCOKCKJB-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM C[C@@H](O)c1nc2cc(-c3ccc(CCC(=O)[O-])cc3)ccc2[nH]1 ZINC000534646543 334306544 /nfs/dbraw/zinc/30/65/44/334306544.db2.gz ZBHYTSBIPBCXLP-LLVKDONJSA-N -1 0 310.353 3.300 50 0 DGAARM N#C/C(=C/c1ccccc1OCC(=O)[O-])C(=O)c1cccs1 ZINC000071795571 545707976 /nfs/dbraw/zinc/70/79/76/545707976.db2.gz SENZRKPKJOHSRE-WQLSENKSSA-N -1 0 313.334 3.001 50 0 DGAARM N#C/C(=C/C=C\c1ccco1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000096256189 545860844 /nfs/dbraw/zinc/86/08/44/545860844.db2.gz NDSCBWGZBVPEFU-VRGVAIJGSA-N -1 0 308.293 3.080 50 0 DGAARM Cc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])cc1 ZINC000221034179 546265486 /nfs/dbraw/zinc/26/54/86/546265486.db2.gz DXRSFPLZBXXHCL-KGLIPLIRSA-N -1 0 305.374 3.173 50 0 DGAARM Cc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1 ZINC000221034255 546265854 /nfs/dbraw/zinc/26/58/54/546265854.db2.gz DXRSFPLZBXXHCL-ZIAGYGMSSA-N -1 0 305.374 3.173 50 0 DGAARM Cc1cc([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])ccc1F ZINC000221030838 546265957 /nfs/dbraw/zinc/26/59/57/546265957.db2.gz OJESVZBNFHJKAS-TZMCWYRMSA-N -1 0 323.364 3.312 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cccc(Cl)c1 ZINC000237973159 599732597 /nfs/dbraw/zinc/73/25/97/599732597.db2.gz OZSOMZYGKHDIKW-QEJZJMRPSA-N -1 0 321.804 3.127 50 0 DGAARM Cc1nc(-c2ccc(NC(=O)C/C=C\C(=O)[O-])cc2)cs1 ZINC000103620517 627387223 /nfs/dbraw/zinc/38/72/23/627387223.db2.gz GKGSQVLAQZKKHN-RQOWECAXSA-N -1 0 302.355 3.088 50 0 DGAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)o1 ZINC000002511994 629734226 /nfs/dbraw/zinc/73/42/26/629734226.db2.gz GJOCXVAWUNYNTR-ZDUSSCGKSA-N -1 0 303.314 3.030 50 0 DGAARM COc1cc(C=NNc2cccc(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000254450982 656421612 /nfs/dbraw/zinc/42/16/12/656421612.db2.gz YDPAAMREILQQOX-UHFFFAOYSA-N -1 0 321.720 3.408 50 0 DGAARM O=C([O-])c1csc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000095943452 656666069 /nfs/dbraw/zinc/66/60/69/656666069.db2.gz NEOFDJYEJCIAPS-SNAWJCMRSA-N -1 0 303.295 3.251 50 0 DGAARM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000950757382 657411135 /nfs/dbraw/zinc/41/11/35/657411135.db2.gz YHKYEDMRESBBRI-LBPRGKRZSA-N -1 0 308.378 3.185 50 0 DGAARM CCOc1ccc(-c2ccnc(CC(C)C)n2)cc1C(=O)[O-] ZINC000071388796 660120465 /nfs/dbraw/zinc/12/04/65/660120465.db2.gz XDGAHVJLXPNBHD-UHFFFAOYSA-N -1 0 300.358 3.439 50 0 DGAARM CCc1ccc(/C=C/S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000079108500 662098899 /nfs/dbraw/zinc/09/88/99/662098899.db2.gz GZXJGGYYBYDQRR-MDZDMXLPSA-N -1 0 306.387 3.266 50 0 DGAARM C/C(=C\C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000584908422 974959997 /nfs/dbraw/zinc/95/99/97/974959997.db2.gz FKHKKMABZKHXDY-OKFGHLOFSA-N -1 0 301.386 3.193 50 0 DGAARM C[C@@H]([C@@H]1Cc2ccccc21)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000952852417 1096780684 /nfs/dbraw/zinc/78/06/84/1096780684.db2.gz MIKBCSBVQIXKDE-SJCJKPOMSA-N -1 0 309.365 3.185 50 0 DGAARM Cc1ccc(NC(=O)Nc2c([O-])c3ccccc3oc2=O)cc1 ZINC000006742864 190623339 /nfs/dbraw/zinc/62/33/39/190623339.db2.gz CXLWWKSVGFBJEL-UHFFFAOYSA-N -1 0 310.309 3.451 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC000095389813 185351048 /nfs/dbraw/zinc/35/10/48/185351048.db2.gz XUEUCWRFDFMWPW-UHFFFAOYSA-N -1 0 324.380 3.049 50 0 DGAARM C[C@@H](Cc1cccs1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000097018550 185398109 /nfs/dbraw/zinc/39/81/09/185398109.db2.gz WMJXVEFKZWVGNB-LBPRGKRZSA-N -1 0 317.410 3.284 50 0 DGAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3ccno3)o2)c1 ZINC000064958671 432010330 /nfs/dbraw/zinc/01/03/30/432010330.db2.gz KYOQAPYVBMXUQU-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM CC(C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236625200 201939893 /nfs/dbraw/zinc/93/98/93/201939893.db2.gz PFSABZOJZUUUNN-UHFFFAOYSA-N -1 0 301.342 3.288 50 0 DGAARM O=C([O-])c1ccc(C[C@H]2CCCN(c3nccs3)C2)cc1 ZINC000072161653 191062768 /nfs/dbraw/zinc/06/27/68/191062768.db2.gz DWKIBWLFIMRTSF-CYBMUJFWSA-N -1 0 302.399 3.300 50 0 DGAARM CC(C)(C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000146248028 186038094 /nfs/dbraw/zinc/03/80/94/186038094.db2.gz VJSMWHPYTVISHP-CYBMUJFWSA-N -1 0 305.374 3.329 50 0 DGAARM CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC000000004594 180668421 /nfs/dbraw/zinc/66/84/21/180668421.db2.gz MTHORRSSURHQPZ-UHFFFAOYSA-N -1 0 324.380 3.464 50 0 investigational DGAARM CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000265481 180742302 /nfs/dbraw/zinc/74/23/02/180742302.db2.gz SFCROKYNRQQVIP-KSSFIOAISA-N -1 0 317.385 3.355 50 0 DGAARM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000000460541 180798161 /nfs/dbraw/zinc/79/81/61/180798161.db2.gz CUVMZRAQQPFPCH-UHFFFAOYSA-N -1 0 317.823 3.116 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(C(=O)[O-])CC1 ZINC000002391709 180922679 /nfs/dbraw/zinc/92/26/79/180922679.db2.gz APIIIPKQPKSIHU-UHFFFAOYSA-N -1 0 319.401 3.331 50 0 DGAARM Cc1cc(C)n([N-]C(=O)c2ccc(Oc3ccccc3)o2)c(=O)c1 ZINC000067654443 432034797 /nfs/dbraw/zinc/03/47/97/432034797.db2.gz SLAKHHZXNKSTRC-UHFFFAOYSA-N -1 0 324.336 3.234 50 0 DGAARM O=C([O-])CCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000003897860 181054226 /nfs/dbraw/zinc/05/42/26/181054226.db2.gz ZILJZINSEYHWLP-UHFFFAOYSA-N -1 0 311.337 3.081 50 0 DGAARM CC(C)(CC(=O)[O-])CC(=O)NCc1csc2ccccc12 ZINC000004377656 181104404 /nfs/dbraw/zinc/10/44/04/181104404.db2.gz IMYOWHOUPRCGSD-UHFFFAOYSA-N -1 0 305.399 3.409 50 0 DGAARM CC(=O)c1cccc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])c1 ZINC000004724910 181142914 /nfs/dbraw/zinc/14/29/14/181142914.db2.gz WOIGSWDJDIGQSS-ZIAGYGMSSA-N -1 0 321.760 3.061 50 0 DGAARM CC(=O)c1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])cc1 ZINC000004724640 181143162 /nfs/dbraw/zinc/14/31/62/181143162.db2.gz NCLVMCJUOXOLOL-KBPBESRZSA-N -1 0 321.760 3.061 50 0 DGAARM O=S(=O)([O-])CCCCNc1cc(-c2ccccc2)ccc1O ZINC000004774846 181150340 /nfs/dbraw/zinc/15/03/40/181150340.db2.gz ULWSTFDDFZXYAC-UHFFFAOYSA-N -1 0 321.398 3.139 50 0 DGAARM CCOc1ccc(C(=O)c2cc3ccc([O-])cc3oc2=O)cc1 ZINC000004937838 181175702 /nfs/dbraw/zinc/17/57/02/181175702.db2.gz VGTMSXHVCDAWEC-UHFFFAOYSA-N -1 0 310.305 3.128 50 0 biogenic DGAARM O=C([O-])CC1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000019798197 304044047 /nfs/dbraw/zinc/04/40/47/304044047.db2.gz CPQWYQYYKHMQNJ-INIZCTEOSA-N -1 0 309.321 3.061 50 0 aggregator DGAARM CCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000004970490 181181585 /nfs/dbraw/zinc/18/15/85/181181585.db2.gz PNFUIWXTNKLWHD-UHFFFAOYSA-N -1 0 320.414 3.206 50 0 DGAARM O=C([O-])/C(=C/c1cnc2ccccc2c1)NC(=O)c1ccccc1 ZINC000005041155 181195099 /nfs/dbraw/zinc/19/50/99/181195099.db2.gz RRHKHHQZEFODLT-BOPFTXTBSA-N -1 0 318.332 3.090 50 0 DGAARM Cc1ccc(C)c(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000005154396 181211035 /nfs/dbraw/zinc/21/10/35/181211035.db2.gz KQIMEBRFFMDKKN-UHFFFAOYSA-N -1 0 306.369 3.116 50 0 DGAARM C[C@@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)[O-] ZINC000005234690 181219302 /nfs/dbraw/zinc/21/93/02/181219302.db2.gz SIBYGYKKXXTSNV-LLVKDONJSA-N -1 0 310.305 3.312 50 0 DGAARM Cc1ccc(S([O-])=CC(=O)c2cc(C)c(O)c(C)c2)cc1 ZINC000005363578 181235179 /nfs/dbraw/zinc/23/51/79/181235179.db2.gz HNCXVZQRBIMQRJ-OAQYLSRUSA-N -1 0 302.395 3.308 50 0 DGAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000237970925 304050965 /nfs/dbraw/zinc/05/09/65/304050965.db2.gz KWHPTTYHMFAYIC-NXEZZACHSA-N -1 0 316.184 3.078 50 0 DGAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(C)cc1 ZINC000005601146 181262222 /nfs/dbraw/zinc/26/22/22/181262222.db2.gz TUJDYLKBQBZWOR-UHFFFAOYSA-N -1 0 304.371 3.230 50 0 DGAARM CCOC(=O)c1sc(C)c2c1[n-]c(-c1ccccc1)nc2=O ZINC000005686436 181272232 /nfs/dbraw/zinc/27/22/32/181272232.db2.gz PMVOIUAZLNZWMS-UHFFFAOYSA-N -1 0 314.366 3.137 50 0 DGAARM COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)[O-])cc1OC ZINC000005703621 181274676 /nfs/dbraw/zinc/27/46/76/181274676.db2.gz MSYZXDXEOGMMEE-UHFFFAOYSA-N -1 0 324.336 3.255 50 0 DGAARM CC(C)c1nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cs1 ZINC000236882194 202049559 /nfs/dbraw/zinc/04/95/59/202049559.db2.gz DMUDCNRYBQLFNQ-DRZSPHRISA-N -1 0 322.430 3.124 50 0 DGAARM COc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000237218900 202194287 /nfs/dbraw/zinc/19/42/87/202194287.db2.gz AGZMRYNKLDFLAA-HNNXBMFYSA-N -1 0 317.341 3.114 50 0 DGAARM O=C([O-])c1c(=O)[nH]c2ccccc2c1NCCCc1ccccc1 ZINC000170624661 432074772 /nfs/dbraw/zinc/07/47/72/432074772.db2.gz FETDLIFWLQEEIM-UHFFFAOYSA-N -1 0 322.364 3.271 50 0 DGAARM CCOc1ccc(Oc2coc3cc([O-])cc(O)c3c2=O)cc1 ZINC000005906622 181295286 /nfs/dbraw/zinc/29/52/86/181295286.db2.gz PEJZACWFQCJMDK-UHFFFAOYSA-N -1 0 314.293 3.395 50 0 biogenic DGAARM CC(C)(C)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000089642980 192834343 /nfs/dbraw/zinc/83/43/43/192834343.db2.gz OJMWBQFUQRNITL-UHFFFAOYSA-N -1 0 303.402 3.068 50 0 DGAARM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237767355 202350162 /nfs/dbraw/zinc/35/01/62/202350162.db2.gz LTKAYRGTAQMPLM-INIZCTEOSA-N -1 0 321.760 3.331 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000237938811 202396608 /nfs/dbraw/zinc/39/66/08/202396608.db2.gz CVMMHFRRYYSORW-NSHDSACASA-N -1 0 318.348 3.167 50 0 DGAARM Cc1ccccc1CC1(NC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000426425140 237971945 /nfs/dbraw/zinc/97/19/45/237971945.db2.gz FFPMBHRIYMHJKH-UHFFFAOYSA-N -1 0 309.365 3.198 50 0 DGAARM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000190200259 200500873 /nfs/dbraw/zinc/50/08/73/200500873.db2.gz UZBKELWNYLKLOZ-LLVKDONJSA-N -1 0 303.358 3.419 50 0 DGAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000006502308 181346384 /nfs/dbraw/zinc/34/63/84/181346384.db2.gz AGYDJCCZUBIXAD-UHFFFAOYSA-N -1 0 315.803 3.405 50 0 DGAARM COc1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000006590105 181358461 /nfs/dbraw/zinc/35/84/61/181358461.db2.gz NYSKTEVIVKGHFH-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM O=C([O-])C1(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000006659071 181366966 /nfs/dbraw/zinc/36/69/66/181366966.db2.gz RZAKQRJUUAOHKQ-UHFFFAOYSA-N -1 0 323.197 3.165 50 0 DGAARM O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)CCc2cccs2)C1 ZINC000091417057 193053381 /nfs/dbraw/zinc/05/33/81/193053381.db2.gz ABMXDHYRUCZMBV-QGZVFWFLSA-N -1 0 321.442 3.174 50 0 DGAARM Cc1cc(NCCc2cscn2)nc(-c2ccccc2[O-])n1 ZINC000091779429 193105930 /nfs/dbraw/zinc/10/59/30/193105930.db2.gz LTBUKGNYXBURHA-UHFFFAOYSA-N -1 0 312.398 3.269 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2cc[nH]c2c1 ZINC000237985196 304142240 /nfs/dbraw/zinc/14/22/40/304142240.db2.gz PNWSKQJSNJSDCH-RCBQFDQVSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])CCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000262145959 203212268 /nfs/dbraw/zinc/21/22/68/203212268.db2.gz OAWYOPKYWNADAM-GOSISDBHSA-N -1 0 323.392 3.220 50 0 DGAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000262089606 203195123 /nfs/dbraw/zinc/19/51/23/203195123.db2.gz HTWJRDLBWLEFAU-KGLIPLIRSA-N -1 0 301.367 3.002 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000262429051 203293057 /nfs/dbraw/zinc/29/30/57/203293057.db2.gz MDQGXALXEHTHAP-RCCFBDPRSA-N -1 0 323.392 3.431 50 0 DGAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC=CCC1 ZINC000095970087 193467146 /nfs/dbraw/zinc/46/71/46/193467146.db2.gz WTKAWTULBNSGFQ-CYBMUJFWSA-N -1 0 323.339 3.124 50 0 DGAARM Cc1[nH]c2ccc(Br)cc2c(=O)c1CCC(=O)[O-] ZINC000008994030 181595674 /nfs/dbraw/zinc/59/56/74/181595674.db2.gz KUELJXSOAHJEBT-UHFFFAOYSA-N -1 0 310.147 3.029 50 0 DGAARM CC(C)Oc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000010683947 181677188 /nfs/dbraw/zinc/67/71/88/181677188.db2.gz DDMFHZODDACATK-QWHCGFSZSA-N -1 0 305.374 3.303 50 0 DGAARM CC(C)n1cc2c(n1)nc(SCC(=O)[O-])cc2C(F)(F)F ZINC000012398345 181757109 /nfs/dbraw/zinc/75/71/09/181757109.db2.gz DKCLLJOYVHOZOD-UHFFFAOYSA-N -1 0 319.308 3.208 50 0 DGAARM O=C([O-])c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000013166511 181835750 /nfs/dbraw/zinc/83/57/50/181835750.db2.gz PFDDQGVHXJSKNW-UHFFFAOYSA-N -1 0 307.708 3.359 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000013175829 181836510 /nfs/dbraw/zinc/83/65/10/181836510.db2.gz IDRSQNRIKMTWKX-TZMCWYRMSA-N -1 0 307.777 3.328 50 0 DGAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000013348981 181845355 /nfs/dbraw/zinc/84/53/55/181845355.db2.gz MITCVCWNQZZWHI-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=C([O-])[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000005065698 304172420 /nfs/dbraw/zinc/17/24/20/304172420.db2.gz CKNODQYMGLQAJZ-CYBMUJFWSA-N -1 0 304.733 3.287 50 0 DGAARM C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)[O-] ZINC000015838453 182021173 /nfs/dbraw/zinc/02/11/73/182021173.db2.gz SOVHQWURWBWHFZ-JTQLQIEISA-N -1 0 315.354 3.093 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1F ZINC000016130520 182035197 /nfs/dbraw/zinc/03/51/97/182035197.db2.gz SGFKJZKZMCTPAV-UHFFFAOYSA-N -1 0 301.289 3.213 50 0 DGAARM Cc1nnc(SCc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000016777078 182060164 /nfs/dbraw/zinc/06/01/64/182060164.db2.gz JKSQQMAYBPTSTJ-UHFFFAOYSA-N -1 0 302.186 3.485 50 0 DGAARM CCc1nn2c([n-]1)nc(C)c(Cc1ccc(C(C)C)cc1)c2=O ZINC000018223217 182099421 /nfs/dbraw/zinc/09/94/21/182099421.db2.gz KODCPOSXLFJZQO-UHFFFAOYSA-N -1 0 310.401 3.415 50 0 DGAARM Cc1cccc(Cc2c(C)nc3[n-]c(C(F)(F)F)nn3c2=O)c1 ZINC000018223177 182099449 /nfs/dbraw/zinc/09/94/49/182099449.db2.gz XBTZALNSLZTKJR-UHFFFAOYSA-N -1 0 322.290 3.056 50 0 DGAARM C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000020481276 182222510 /nfs/dbraw/zinc/22/25/10/182222510.db2.gz ZCCQODJOMKRZOE-BLLLJJGKSA-N -1 0 323.348 3.068 50 0 DGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000017055064 304180991 /nfs/dbraw/zinc/18/09/91/304180991.db2.gz WRINOZNASHQYFE-RLLCIZMQSA-N -1 0 319.445 3.210 50 0 DGAARM CO[N-]C(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000036728680 182838368 /nfs/dbraw/zinc/83/83/68/182838368.db2.gz WLEBQHPPBCUMOG-NSHDSACASA-N -1 0 324.730 3.473 50 0 DGAARM CCc1nc2sc3c(c2c(N[C@H](C(=O)[O-])C(C)C)n1)CCC3 ZINC000041090247 183163677 /nfs/dbraw/zinc/16/36/77/183163677.db2.gz ZUSSFTKXGRQIRW-ZDUSSCGKSA-N -1 0 319.430 3.264 50 0 DGAARM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000159781463 197364387 /nfs/dbraw/zinc/36/43/87/197364387.db2.gz HJZOXXJNMCEIEK-QGZVFWFLSA-N -1 0 324.380 3.136 50 0 DGAARM O=C([O-])c1cc(-c2ccco2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615770 304219677 /nfs/dbraw/zinc/21/96/77/304219677.db2.gz USOYDNYBJVVDAI-UHFFFAOYSA-N -1 0 323.283 3.494 50 0 DGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000268931197 207098114 /nfs/dbraw/zinc/09/81/14/207098114.db2.gz AGUYSDZTNZVASO-KRWDZBQOSA-N -1 0 317.316 3.023 50 0 DGAARM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000056700309 184017942 /nfs/dbraw/zinc/01/79/42/184017942.db2.gz SWHMDHHMWBLEOZ-KTKRTIGZSA-N -1 0 317.366 3.106 50 0 DGAARM Cc1noc(C)c1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058366097 184109445 /nfs/dbraw/zinc/10/94/45/184109445.db2.gz LMJCEXOUDYMKLC-UHFFFAOYSA-N -1 0 304.371 3.020 50 0 DGAARM CC(C)OCc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000058264622 184095834 /nfs/dbraw/zinc/09/58/34/184095834.db2.gz JLMBXVBUNWAAHZ-UHFFFAOYSA-N -1 0 307.390 3.441 50 0 DGAARM Cc1ccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)cc1C ZINC000065215138 184314720 /nfs/dbraw/zinc/31/47/20/184314720.db2.gz OUHIOXRMDHAXEG-UHFFFAOYSA-N -1 0 314.366 3.164 50 0 DGAARM O=C(Nc1ccc(Cl)cc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215099 184314780 /nfs/dbraw/zinc/31/47/80/184314780.db2.gz QFSONXMWHXKQNP-UHFFFAOYSA-N -1 0 320.757 3.201 50 0 DGAARM CCc1ccc(C([O-])=CS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000067340712 184460812 /nfs/dbraw/zinc/46/08/12/184460812.db2.gz YBDXPNXNAGFPBC-UHFFFAOYSA-N -1 0 324.348 3.184 50 0 DGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000000061037 304251948 /nfs/dbraw/zinc/25/19/48/304251948.db2.gz MUEIEJNZVKFKKO-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM O=c1nc[n-]c2c(-c3ccc(Br)cc3)csc21 ZINC000002541404 285201484 /nfs/dbraw/zinc/20/14/84/285201484.db2.gz YNENCAUDZLYMRO-UHFFFAOYSA-N -1 0 307.172 3.414 50 0 DGAARM O=C([O-])c1ccnc(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000263405345 304273344 /nfs/dbraw/zinc/27/33/44/304273344.db2.gz KHOYSVCLEOMSAD-UHFFFAOYSA-N -1 0 316.401 3.356 50 0 DGAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1C[C@@H]1CCCO1 ZINC000000424657 257234158 /nfs/dbraw/zinc/23/41/58/257234158.db2.gz GTFBDWRKSJDMCE-VIFPVBQESA-N -1 0 318.423 3.453 50 0 DGAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1C[C@H]1CCCO1 ZINC000000424656 257234218 /nfs/dbraw/zinc/23/42/18/257234218.db2.gz GTFBDWRKSJDMCE-SECBINFHSA-N -1 0 318.423 3.453 50 0 DGAARM O=C([O-])CCCC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000037827991 257242553 /nfs/dbraw/zinc/24/25/53/257242553.db2.gz KNTDVGRZUNCRQW-UHFFFAOYSA-N -1 0 313.756 3.225 50 0 DGAARM O=C(C[C@H]1CCc2ccccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000243892813 257259586 /nfs/dbraw/zinc/25/95/86/257259586.db2.gz ALQBJRUEXBNWDG-FVQBIDKESA-N -1 0 315.413 3.114 50 0 DGAARM O=c1nc2sc3c(c2c2[n-]c(Cc4ccccc4)nn21)CCC3 ZINC000008990604 285405501 /nfs/dbraw/zinc/40/55/01/285405501.db2.gz QCJSKUUAKRTOSC-UHFFFAOYSA-N -1 0 322.393 3.124 50 0 DGAARM CC(C)CCOc1ccc(C(=O)NCCCCCC(=O)[O-])cc1 ZINC000003148379 400082300 /nfs/dbraw/zinc/08/23/00/400082300.db2.gz DWBSWOWGRIOPNO-UHFFFAOYSA-N -1 0 321.417 3.486 50 0 DGAARM O=S(=O)([O-])c1ccc(NN=Cc2ccc(Cl)cc2)cc1 ZINC000004582437 400084840 /nfs/dbraw/zinc/08/48/40/400084840.db2.gz SNVRZMXYRZSEAX-UHFFFAOYSA-N -1 0 310.762 3.033 50 0 DGAARM CCS[C@@H]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000097374644 400285922 /nfs/dbraw/zinc/28/59/22/400285922.db2.gz ZSEOKAWGUFAAIW-JGVFFNPUSA-N -1 0 319.348 3.214 50 0 DGAARM O=C([O-])CCc1ccccc1CNC(=O)OCc1ccccc1 ZINC000536956167 400314869 /nfs/dbraw/zinc/31/48/69/400314869.db2.gz XIJCCPNSDHMHFI-UHFFFAOYSA-N -1 0 313.353 3.130 50 0 DGAARM CN1c2ccccc2/C(=C\c2ccc(OCCC(=O)[O-])cc2)C1=O ZINC000170625143 400766907 /nfs/dbraw/zinc/76/69/07/400766907.db2.gz GKSNQMDOAVSJLI-FOWTUZBSSA-N -1 0 323.348 3.057 50 0 DGAARM COC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000079335376 400859569 /nfs/dbraw/zinc/85/95/69/400859569.db2.gz GDYTUZOQOLVUPP-UHFFFAOYSA-N -1 0 320.732 3.476 50 0 DGAARM CC(=O)Nc1c(C)cc(NC(=O)CC(C)(C)CC(=O)[O-])cc1C ZINC000079382413 400861901 /nfs/dbraw/zinc/86/19/01/400861901.db2.gz ZCSCKSCRAXQCBH-UHFFFAOYSA-N -1 0 320.389 3.091 50 0 DGAARM O=C([O-])/C=C\c1cnc(/C=C/c2ccc3c(c2)OCCO3)s1 ZINC000606443608 400913193 /nfs/dbraw/zinc/91/31/93/400913193.db2.gz CCEVUMLYPRKHCP-JGJYBARTSA-N -1 0 315.350 3.183 50 0 DGAARM Cc1cc([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C)s1 ZINC000248235173 401068494 /nfs/dbraw/zinc/06/84/94/401068494.db2.gz DHXUZJNJRIACGI-CYZMBNFOSA-N -1 0 307.415 3.209 50 0 DGAARM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccsc1 ZINC000630291135 401235802 /nfs/dbraw/zinc/23/58/02/401235802.db2.gz LVRLJVZHENVMSQ-LLVKDONJSA-N -1 0 303.383 3.256 50 0 DGAARM C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC000245239180 296765846 /nfs/dbraw/zinc/76/58/46/296765846.db2.gz GEQXSECHWINMQT-OUAUKWLOSA-N -1 0 322.430 3.097 50 0 DGAARM O=C([O-])c1ccc(C(=O)N[C@@H](c2cccs2)C2CC2)c(F)c1 ZINC000262393907 165801851 /nfs/dbraw/zinc/80/18/51/165801851.db2.gz NDHIAXGYTMPFHW-CQSZACIVSA-N -1 0 319.357 3.467 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000131928686 196211058 /nfs/dbraw/zinc/21/10/58/196211058.db2.gz ALCIODXRDUQMQR-SECBINFHSA-N -1 0 307.758 3.230 50 0 DGAARM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000131944124 196212967 /nfs/dbraw/zinc/21/29/67/196212967.db2.gz BTMGKTHCKTULOB-CYBMUJFWSA-N -1 0 301.367 3.194 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000299739687 229371432 /nfs/dbraw/zinc/37/14/32/229371432.db2.gz AASGPNVYTRGPSG-JYJNAYRXSA-N -1 0 319.376 3.175 50 0 DGAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000299745669 229387686 /nfs/dbraw/zinc/38/76/86/229387686.db2.gz RSRYCWKOJPOUCA-MCIONIFRSA-N -1 0 321.442 3.263 50 0 DGAARM Cc1csc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000057710704 425896838 /nfs/dbraw/zinc/89/68/38/425896838.db2.gz HREXACUTUOWKDZ-UHFFFAOYSA-N -1 0 322.333 3.271 50 0 DGAARM Cc1ccnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000068038268 425915457 /nfs/dbraw/zinc/91/54/57/425915457.db2.gz SEPVBHVHLAOVSF-UHFFFAOYSA-N -1 0 316.304 3.210 50 0 DGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000000402084 262528899 /nfs/dbraw/zinc/52/88/99/262528899.db2.gz VHZZJLSPECJSKI-VXGBXAGGSA-N -1 0 324.174 3.055 50 0 DGAARM CC(C)(C)C(=O)Nc1ccc(N2CCCCC2)cc1C(=O)[O-] ZINC000064589000 278294431 /nfs/dbraw/zinc/29/44/31/278294431.db2.gz LQHGTQRKCPJWKO-UHFFFAOYSA-N -1 0 304.390 3.360 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000002391716 278405437 /nfs/dbraw/zinc/40/54/37/278405437.db2.gz UHRXHCZPUWORFZ-KBPBESRZSA-N -1 0 305.374 3.112 50 0 DGAARM COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000029552 431112447 /nfs/dbraw/zinc/11/24/47/431112447.db2.gz SZRCZRBFSIPIHK-UHFFFAOYSA-N -1 0 305.399 3.421 50 0 DGAARM Cc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000000053675 431116267 /nfs/dbraw/zinc/11/62/67/431116267.db2.gz RAEHIJPJXDDDCD-UHFFFAOYSA-N -1 0 319.744 3.364 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000000141631 431134573 /nfs/dbraw/zinc/13/45/73/431134573.db2.gz OVTGRKNVGAQYKF-UHFFFAOYSA-N -1 0 323.270 3.334 50 0 DGAARM O=S(=O)([N-]c1ccccn1)c1c(Cl)cccc1Cl ZINC000000184969 431141932 /nfs/dbraw/zinc/14/19/32/431141932.db2.gz JBWSFFSTNHJQMD-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM Cc1cc2nc(-c3c([O-])c4ccccc4n(C)c3=O)[nH]c2cc1C ZINC000000314934 431164174 /nfs/dbraw/zinc/16/41/74/431164174.db2.gz QKQODUBEBUCOGT-UHFFFAOYSA-N -1 0 319.364 3.404 50 0 DGAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000000466995 431188051 /nfs/dbraw/zinc/18/80/51/431188051.db2.gz DFALFHJHNBMINX-UHFFFAOYSA-N -1 0 305.717 3.299 50 0 DGAARM Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000000541503 431198218 /nfs/dbraw/zinc/19/82/18/431198218.db2.gz DFWZEARHHQWYMZ-INIZCTEOSA-N -1 0 312.369 3.121 50 0 biogenic DGAARM CCN(CC)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000214472 431146668 /nfs/dbraw/zinc/14/66/68/431146668.db2.gz IXQPDDOTNBLXHS-HOTGVXAUSA-N -1 0 318.417 3.362 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(Oc2cccc(C(=O)[O-])c2)CC1 ZINC000002527402 431253903 /nfs/dbraw/zinc/25/39/03/431253903.db2.gz GUHLCCZKORFGQB-UHFFFAOYSA-N -1 0 321.373 3.163 50 0 DGAARM COc1ccc(/C=C(/CC(=O)NC2CCCCC2)C(=O)[O-])cc1 ZINC000002546372 431257030 /nfs/dbraw/zinc/25/70/30/431257030.db2.gz WXPQCYYCFTUSOT-KAMYIIQDSA-N -1 0 317.385 3.002 50 0 DGAARM COc1ccccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000003264378 431288480 /nfs/dbraw/zinc/28/84/80/431288480.db2.gz QQTQLLTVKWTQAI-UHFFFAOYSA-N -1 0 305.374 3.449 50 0 DGAARM O=c1c2c([n-]c(=S)n1Cc1ccco1)sc1c2CCC1 ZINC000005928472 431314264 /nfs/dbraw/zinc/31/42/64/431314264.db2.gz QCZYEDSQWTTXCA-UHFFFAOYSA-N -1 0 304.396 3.251 50 0 DGAARM CCOc1cc(C=O)c(Br)c(Br)c1[O-] ZINC000002736408 431262973 /nfs/dbraw/zinc/26/29/73/431262973.db2.gz FZAJTHKPEQTMRV-UHFFFAOYSA-N -1 0 323.968 3.128 50 0 DGAARM CCCCCCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000002689945 431264995 /nfs/dbraw/zinc/26/49/95/431264995.db2.gz IIPPYBKAMXNRSE-CYBMUJFWSA-N -1 0 304.415 3.021 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000002763755 431266005 /nfs/dbraw/zinc/26/60/05/431266005.db2.gz CEHUAPDITCBLMG-BPUTZDHNSA-N -1 0 303.402 3.372 50 0 DGAARM CCN(CC)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000002737741 431267182 /nfs/dbraw/zinc/26/71/82/431267182.db2.gz CRZMVVBSYZLCHT-CVEARBPZSA-N -1 0 316.401 3.138 50 0 DGAARM CCCCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000002906106 431274885 /nfs/dbraw/zinc/27/48/85/431274885.db2.gz NJAPPTUEIXBLNI-HOTGVXAUSA-N -1 0 317.385 3.471 50 0 DGAARM CSc1ccccc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006742588 431318569 /nfs/dbraw/zinc/31/85/69/431318569.db2.gz LKLDANCDBVFSSK-FWFPMQDGSA-N -1 0 319.426 3.484 50 0 DGAARM CC(C)c1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000071977183 431323024 /nfs/dbraw/zinc/32/30/24/431323024.db2.gz GFWFBAWLZSXCEO-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000007417171 431347753 /nfs/dbraw/zinc/34/77/53/431347753.db2.gz KBSZYUBPTPMOBT-UHFFFAOYSA-N -1 0 321.398 3.203 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(F)cc1 ZINC000007709430 431359228 /nfs/dbraw/zinc/35/92/28/431359228.db2.gz DGZYQLPXEIGMPW-UHFFFAOYSA-N -1 0 302.330 3.175 50 0 DGAARM C[C@@](CC(=O)Nc1ccc(F)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000008919156 431417344 /nfs/dbraw/zinc/41/73/44/431417344.db2.gz OHDFXYGMHZPZQL-KRWDZBQOSA-N -1 0 319.307 3.336 50 0 DGAARM CCOc1ccccc1CNc1cc(C(=O)[O-])ccc1OC ZINC000009096544 431420984 /nfs/dbraw/zinc/42/09/84/431420984.db2.gz WZSIJSFZIMMGLX-UHFFFAOYSA-N -1 0 301.342 3.404 50 0 DGAARM Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000008195589 431383612 /nfs/dbraw/zinc/38/36/12/431383612.db2.gz IUHQYSGWGXMORM-UHFFFAOYSA-N -1 0 316.304 3.210 50 0 DGAARM CCc1noc(C)c1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000008191130 431384800 /nfs/dbraw/zinc/38/48/00/431384800.db2.gz GPHQFLWIGWQENV-UHFFFAOYSA-N -1 0 308.721 3.149 50 0 DGAARM COc1ccccc1-n1[n-]c(-c2ccccc2Cl)cc1=O ZINC000009939845 431449933 /nfs/dbraw/zinc/44/99/33/431449933.db2.gz ZWGMPGCZSCEOLV-UHFFFAOYSA-N -1 0 300.745 3.495 50 0 DGAARM COc1ccc(/C=C/c2nc(-c3ccccc3O)n(C)n2)cc1 ZINC000009224909 431427401 /nfs/dbraw/zinc/42/74/01/431427401.db2.gz QEWNWZSQZGQIDF-FMIVXFBMSA-N -1 0 307.353 3.367 50 0 DGAARM COc1ccc(Cl)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000012697761 431521312 /nfs/dbraw/zinc/52/13/12/431521312.db2.gz VNWIXNCWNGQKMJ-UHFFFAOYSA-N -1 0 311.765 3.322 50 0 DGAARM Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000011919910 431488662 /nfs/dbraw/zinc/48/86/62/431488662.db2.gz SYJIYBKWXCBXML-UHFFFAOYSA-N -1 0 311.750 3.447 50 0 DGAARM CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1cc(C)no1 ZINC000012422415 431506445 /nfs/dbraw/zinc/50/64/45/431506445.db2.gz QYHRJTCOEIQAIO-UHFFFAOYSA-N -1 0 314.297 3.158 50 0 DGAARM CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000013571705 431559257 /nfs/dbraw/zinc/55/92/57/431559257.db2.gz AQKHKSFQWRDSEV-XPTSAGLGSA-N -1 0 322.792 3.061 50 0 DGAARM COc1ccccc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000012984338 431540516 /nfs/dbraw/zinc/54/05/16/431540516.db2.gz ZOSZFWMFRBLKLT-UHFFFAOYSA-N -1 0 315.398 3.038 50 0 DGAARM CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389106 431553588 /nfs/dbraw/zinc/55/35/88/431553588.db2.gz FGASEUWBEDBKOL-ZDUSSCGKSA-N -1 0 319.382 3.093 50 0 DGAARM COc1ccc(C)cc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013389944 431554020 /nfs/dbraw/zinc/55/40/20/431554020.db2.gz CUHZUXLOMBAJQB-LBPRGKRZSA-N -1 0 319.382 3.011 50 0 DGAARM O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000077472381 431599123 /nfs/dbraw/zinc/59/91/23/431599123.db2.gz MKTSNZNWXZIWBI-HNNXBMFYSA-N -1 0 318.348 3.206 50 0 DGAARM CCn1nccc1-c1cc(C(=O)[O-])c2cc(Cl)ccc2n1 ZINC000017030741 431614568 /nfs/dbraw/zinc/61/45/68/431614568.db2.gz IEALOZNNIHTDRW-UHFFFAOYSA-N -1 0 301.733 3.470 50 0 DGAARM Cc1ccc(Cc2c([O-])nc3[nH]c4ccccc4n3c2=O)cc1 ZINC000018240676 431620634 /nfs/dbraw/zinc/62/06/34/431620634.db2.gz MHYZRTBKHIUFJD-UHFFFAOYSA-N -1 0 305.337 3.193 50 0 DGAARM COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000032496804 431782226 /nfs/dbraw/zinc/78/22/26/431782226.db2.gz GMYUEBZYFFJSGU-GHMZBOCLSA-N -1 0 323.776 3.263 50 0 DGAARM O=C([O-])/C=C/c1c(Br)cccc1OC(F)(F)F ZINC000085477354 431839891 /nfs/dbraw/zinc/83/98/91/431839891.db2.gz KNJWTLTVMGGYTF-SNAWJCMRSA-N -1 0 311.053 3.446 50 0 DGAARM O=C1OCCC1=C([O-])c1cc2ccccc2n1Cc1ccccc1 ZINC000085421500 431840058 /nfs/dbraw/zinc/84/00/58/431840058.db2.gz BYNUCGNQWDQAOI-MRXNPFEDSA-N -1 0 319.360 3.435 50 0 DGAARM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(cccc2F)s1 ZINC000037585506 431848489 /nfs/dbraw/zinc/84/84/89/431848489.db2.gz SKLYGESJRRUPKV-UHFFFAOYSA-N -1 0 309.362 3.366 50 0 DGAARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000038103975 431855140 /nfs/dbraw/zinc/85/51/40/431855140.db2.gz BQGPVYCPJVPHAN-UHFFFAOYSA-N -1 0 311.382 3.021 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]1C(=O)[O-] ZINC000038341857 431856076 /nfs/dbraw/zinc/85/60/76/431856076.db2.gz AJISPVUUZAWPBP-OLZOCXBDSA-N -1 0 309.337 3.003 50 0 DGAARM O=C([O-])[C@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000035303036 431828126 /nfs/dbraw/zinc/82/81/26/431828126.db2.gz YXGAQWQUSHQSAN-GFCCVEGCSA-N -1 0 306.749 3.044 50 0 DGAARM CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000035571152 431832674 /nfs/dbraw/zinc/83/26/74/431832674.db2.gz NISWNSOUPGGKNK-ZIAGYGMSSA-N -1 0 305.374 3.254 50 0 DGAARM Cc1ccncc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000085235364 431837668 /nfs/dbraw/zinc/83/76/68/431837668.db2.gz FAJFEBBLFMECNH-UHFFFAOYSA-N -1 0 316.304 3.210 50 0 DGAARM Cn1nc(-c2ccc(Cl)cc2)c(Br)c1C(=O)[O-] ZINC000085345076 431839226 /nfs/dbraw/zinc/83/92/26/431839226.db2.gz IIZGBHZJSUYTIY-UHFFFAOYSA-N -1 0 315.554 3.201 50 0 DGAARM C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000089905018 431884453 /nfs/dbraw/zinc/88/44/53/431884453.db2.gz IAIVCHBCZCLTDV-VHSXEESVSA-N -1 0 315.822 3.218 50 0 DGAARM CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCC2 ZINC000045951701 431891944 /nfs/dbraw/zinc/89/19/44/431891944.db2.gz DTBGOZKZFYLPFY-OAHLLOKOSA-N -1 0 301.386 3.279 50 0 DGAARM CCc1nc(CN(C)Cc2c(Cl)ccc([O-])c2Cl)no1 ZINC000097698890 431973004 /nfs/dbraw/zinc/97/30/04/431973004.db2.gz PYLKLGZUOZUJJU-UHFFFAOYSA-N -1 0 316.188 3.276 50 0 DGAARM O=c1nc(-c2ncccn2)[n-]c2scc(-c3cccs3)c21 ZINC000054751799 431973451 /nfs/dbraw/zinc/97/34/51/431973451.db2.gz RHBRJOZSHOKZFZ-UHFFFAOYSA-N -1 0 312.379 3.170 50 0 DGAARM CC(C)(C(=O)[N-]OCc1cccc(F)c1F)c1ccccc1 ZINC000095954804 431927813 /nfs/dbraw/zinc/92/78/13/431927813.db2.gz PRGFLUODUFQYHA-UHFFFAOYSA-N -1 0 305.324 3.490 50 0 DGAARM CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000095955623 431927969 /nfs/dbraw/zinc/92/79/69/431927969.db2.gz KSCPGPNNAZSPNH-KRWDZBQOSA-N -1 0 309.365 3.073 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000095970772 431929842 /nfs/dbraw/zinc/92/98/42/431929842.db2.gz ZIRJGXAJOMJQOK-UHFFFAOYSA-N -1 0 309.365 3.374 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)Cc2cccc(F)c2)cc1 ZINC000095970773 431930172 /nfs/dbraw/zinc/93/01/72/431930172.db2.gz PLPSBFWVKZCXOU-UHFFFAOYSA-N -1 0 301.317 3.024 50 0 DGAARM C[C@@H](OCC1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000095983107 431931754 /nfs/dbraw/zinc/93/17/54/431931754.db2.gz KSEGISMBZJVSLA-SSDOTTSWSA-N -1 0 304.173 3.453 50 0 DGAARM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000095991809 431932409 /nfs/dbraw/zinc/93/24/09/431932409.db2.gz IGVAKTSETRULGA-CJNGLKHVSA-N -1 0 303.402 3.355 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1F)c1cccs1 ZINC000096032407 431934239 /nfs/dbraw/zinc/93/42/39/431934239.db2.gz WQOPBENYWXMVLE-WSROAFLRSA-N -1 0 319.357 3.233 50 0 DGAARM O=C([O-])[C@@H](NC(=O)c1coc2ccccc12)c1ccccc1F ZINC000097036443 431957049 /nfs/dbraw/zinc/95/70/49/431957049.db2.gz CGDAWXDEQKFKRL-HNNXBMFYSA-N -1 0 313.284 3.128 50 0 DGAARM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1F ZINC000097036143 431957252 /nfs/dbraw/zinc/95/72/52/431957252.db2.gz YJISXCMXOYNMIQ-SECBINFHSA-N -1 0 305.280 3.405 50 0 DGAARM CCOc1ccc(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000101348384 431983952 /nfs/dbraw/zinc/98/39/52/431983952.db2.gz VDQKPGBLBMZJJE-KRWDZBQOSA-N -1 0 322.364 3.307 50 0 DGAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000252475147 432376139 /nfs/dbraw/zinc/37/61/39/432376139.db2.gz UQGVZSBBSKOQGQ-UHFFFAOYSA-N -1 0 323.352 3.106 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000253369408 432391553 /nfs/dbraw/zinc/39/15/53/432391553.db2.gz CEVMXFXLGNRWDK-KFWWJZLASA-N -1 0 313.353 3.024 50 0 DGAARM CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])nc1 ZINC000263289037 432531404 /nfs/dbraw/zinc/53/14/04/432531404.db2.gz YLOXWCHBMGXSMG-AWEZNQCLSA-N -1 0 318.417 3.239 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000263405630 432541872 /nfs/dbraw/zinc/54/18/72/432541872.db2.gz HTIOUGKPLQPGII-QGZVFWFLSA-N -1 0 324.380 3.102 50 0 DGAARM CC[C@H](NC(=O)c1cnc2c(C)cccc2c1O)c1ccncc1 ZINC000216128458 432647260 /nfs/dbraw/zinc/64/72/60/432647260.db2.gz WHGFTQIRVOUSJJ-INIZCTEOSA-N -1 0 321.380 3.113 50 0 DGAARM CC[C@H](C)Cc1c(C)sc2[nH]c(-c3ccncn3)nc(=O)c12 ZINC000225566316 432694718 /nfs/dbraw/zinc/69/47/18/432694718.db2.gz VZSNWAIHFPHMOM-VIFPVBQESA-N -1 0 314.414 3.339 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2sccc2Cl)C1 ZINC000162890301 432837306 /nfs/dbraw/zinc/83/73/06/432837306.db2.gz LZWKOJVDUIECLH-SECBINFHSA-N -1 0 301.795 3.119 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000237947613 432806050 /nfs/dbraw/zinc/80/60/50/432806050.db2.gz UZZUVPMOOYLPOS-INIZCTEOSA-N -1 0 303.402 3.113 50 0 DGAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000238096467 432812300 /nfs/dbraw/zinc/81/23/00/432812300.db2.gz KGWGBCZPVKXFAP-ZDUSSCGKSA-N -1 0 311.337 3.026 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000298056849 433045123 /nfs/dbraw/zinc/04/51/23/433045123.db2.gz BPPMKQSQDJXNFN-SECBINFHSA-N -1 0 307.396 3.485 50 0 DGAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000015014871 289859852 /nfs/dbraw/zinc/85/98/52/289859852.db2.gz WKUUERJXUFDTNB-CABCVRRESA-N -1 0 315.756 3.335 50 0 DGAARM O=C([O-])[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000294172228 434026559 /nfs/dbraw/zinc/02/65/59/434026559.db2.gz CSHPWGMFSOKDOX-GFCCVEGCSA-N -1 0 320.776 3.292 50 0 DGAARM CCC[C@@H](C(=O)[O-])[S@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000408520271 434582743 /nfs/dbraw/zinc/58/27/43/434582743.db2.gz ZPJQMECHCRIOPD-PRWKNARSSA-N -1 0 308.321 3.207 50 0 DGAARM CCCN(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000583651591 435244221 /nfs/dbraw/zinc/24/42/21/435244221.db2.gz OWNLBNXEEOTJHX-UHFFFAOYSA-N -1 0 312.369 3.483 50 0 DGAARM O=C([O-])c1cccnc1N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000647454234 436055486 /nfs/dbraw/zinc/05/54/86/436055486.db2.gz IGBKJOQRMXRSJB-LLVKDONJSA-N -1 0 314.307 3.339 50 0 DGAARM Cc1c(Cl)cccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000008473604 300959126 /nfs/dbraw/zinc/95/91/26/300959126.db2.gz RJJRNATZGJWABU-UHFFFAOYSA-N -1 0 315.712 3.147 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc21 ZINC000653333451 436163358 /nfs/dbraw/zinc/16/33/58/436163358.db2.gz OYAWXXSGQDANDU-QZTJIDSGSA-N -1 0 321.376 3.218 50 0 DGAARM Cc1ccc(/C=C\S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000042653879 301484612 /nfs/dbraw/zinc/48/46/12/301484612.db2.gz KSRDRZAJMFVBIS-KTKRTIGZSA-N -1 0 317.366 3.106 50 0 DGAARM Cc1ccc2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)[nH]c2c1 ZINC000237888147 301920219 /nfs/dbraw/zinc/92/02/19/301920219.db2.gz KKSYEROJISBFHV-ZDUSSCGKSA-N -1 0 314.385 3.193 50 0 DGAARM Cc1cccc2sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])nc21 ZINC000012998454 302074060 /nfs/dbraw/zinc/07/40/60/302074060.db2.gz OBONINOXVBAURS-WDEREUQCSA-N -1 0 318.398 3.434 50 0 DGAARM CC[C@H](C)n1ncc2c1nc(/C=C\c1cocn1)cc2C(=O)[O-] ZINC000568518956 315517679 /nfs/dbraw/zinc/51/76/79/315517679.db2.gz VHERXNJOKIROLD-LWTINBJPSA-N -1 0 312.329 3.259 50 0 DGAARM Cc1ccc2[nH]c(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)cc2c1C ZINC000195551864 323492013 /nfs/dbraw/zinc/49/20/13/323492013.db2.gz AZUJBMHTWUVCSR-LLVKDONJSA-N -1 0 314.385 3.110 50 0 DGAARM Cc1ccc2ncc(/C=C/c3ncc(C(=O)[O-])c(C(C)C)n3)n2c1 ZINC000178768275 534509780 /nfs/dbraw/zinc/50/97/80/534509780.db2.gz IYDUTQHOSAWLDV-AATRIKPKSA-N -1 0 322.368 3.425 50 0 DGAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc[nH]n1 ZINC000156601416 527094064 /nfs/dbraw/zinc/09/40/64/527094064.db2.gz ZUGGDZACKGCRQI-UHFFFAOYSA-N -1 0 306.536 3.328 50 0 DGAARM Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000000035124 545643418 /nfs/dbraw/zinc/64/34/18/545643418.db2.gz GMODZQNTIJHNJL-UHFFFAOYSA-N -1 0 305.330 3.107 50 0 DGAARM CC(C)c1cnc(NC(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000669504984 547649098 /nfs/dbraw/zinc/64/90/98/547649098.db2.gz LYCJZBLQHWPGLG-UHFFFAOYSA-N -1 0 319.386 3.286 50 0 DGAARM CCCc1onc(-c2ccc(Br)o2)c1C(=O)[O-] ZINC000675057804 548148879 /nfs/dbraw/zinc/14/88/79/548148879.db2.gz PPAWUCZPPZKXLB-UHFFFAOYSA-N -1 0 300.108 3.348 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC000205360925 574815590 /nfs/dbraw/zinc/81/55/90/574815590.db2.gz AJISPVUUZAWPBP-QWHCGFSZSA-N -1 0 309.337 3.003 50 0 DGAARM Cc1ccc(N(Cc2cccs2)C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000844245961 630714144 /nfs/dbraw/zinc/71/41/44/630714144.db2.gz FXUWILBJZGXABX-LBPRGKRZSA-N -1 0 303.383 3.310 50 0 DGAARM O=C([O-])c1cc(NN=Cc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000254877427 656431285 /nfs/dbraw/zinc/43/12/85/656431285.db2.gz AAQQETKTYDSHAO-UHFFFAOYSA-N -1 0 319.704 3.392 50 0 DGAARM CC(=O)N1[C@H](CC(C)C)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC001505840737 1186146374 /nfs/dbraw/zinc/14/63/74/1186146374.db2.gz YDIFCVPDLGJGPX-CVEARBPZSA-N -1 0 314.385 3.113 50 0 DGAARM COc1ccc(-c2ccc(C(=O)[O-])cc2CO)c2ccc(C)nc12 ZINC001506422205 1186226344 /nfs/dbraw/zinc/22/63/44/1186226344.db2.gz PIMZDDUYPYZGAM-UHFFFAOYSA-N -1 0 323.348 3.409 50 0 DGAARM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000079106566 185158947 /nfs/dbraw/zinc/15/89/47/185158947.db2.gz AMFCTCMOAASIRZ-GFCCVEGCSA-N -1 0 307.419 3.423 50 0 DGAARM Cn1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cn1 ZINC000096939757 185393215 /nfs/dbraw/zinc/39/32/15/185393215.db2.gz QHGCFTBJIPSKOE-WQLSENKSSA-N -1 0 313.382 3.435 50 0 DGAARM O=C([O-])C[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000095389846 185351254 /nfs/dbraw/zinc/35/12/54/185351254.db2.gz HTOSORJVRBPPIS-UZYOAWRESA-N -1 0 301.367 3.094 50 0 DGAARM Cc1cccc(C2(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)CC2)c1 ZINC000095425557 185361602 /nfs/dbraw/zinc/36/16/02/185361602.db2.gz NNSWQFVUMKJBLS-QGZVFWFLSA-N -1 0 323.392 3.011 50 0 DGAARM Cc1occc1C(=O)Nc1ccc(C)c(O[C@H](C)C(=O)[O-])c1 ZINC000095464503 185371477 /nfs/dbraw/zinc/37/14/77/185371477.db2.gz IRYWCTGISWEAJK-LLVKDONJSA-N -1 0 303.314 3.001 50 0 DGAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccsc1 ZINC000097017395 185397589 /nfs/dbraw/zinc/39/75/89/185397589.db2.gz SHGRMVGBWMNOKD-SMDDNHRTSA-N -1 0 303.383 3.184 50 0 DGAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccsc1 ZINC000097017393 185397605 /nfs/dbraw/zinc/39/76/05/185397605.db2.gz SHGRMVGBWMNOKD-RISCZKNCSA-N -1 0 303.383 3.184 50 0 DGAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000097018894 185397957 /nfs/dbraw/zinc/39/79/57/185397957.db2.gz SBYKTCMIVSQZNW-QWHCGFSZSA-N -1 0 319.744 3.051 50 0 DGAARM CCn1nccc1-c1cc(C(=O)[O-])c2cccc(Cl)c2n1 ZINC000017030739 190642332 /nfs/dbraw/zinc/64/23/32/190642332.db2.gz IVAPBJRALZNTRK-UHFFFAOYSA-N -1 0 301.733 3.470 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)o2)c(C)c1 ZINC000064958664 190706549 /nfs/dbraw/zinc/70/65/49/190706549.db2.gz IAOSDNHTTNYIOF-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000072129703 191044500 /nfs/dbraw/zinc/04/45/00/191044500.db2.gz XOYBIHIEYQOQLY-KRWDZBQOSA-N -1 0 323.392 3.019 50 0 DGAARM CC(C)(C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000146247838 186037994 /nfs/dbraw/zinc/03/79/94/186037994.db2.gz VJSMWHPYTVISHP-ZDUSSCGKSA-N -1 0 305.374 3.329 50 0 DGAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000237477715 186295429 /nfs/dbraw/zinc/29/54/29/186295429.db2.gz NFWZDIWAFGGBRB-TZMCWYRMSA-N -1 0 313.353 3.244 50 0 DGAARM O=C([O-])c1cccnc1SCC(=O)NC1CCCCCCC1 ZINC000003287548 181000791 /nfs/dbraw/zinc/00/07/91/181000791.db2.gz CQPPPECEHQPLBJ-UHFFFAOYSA-N -1 0 322.430 3.101 50 0 DGAARM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(Cl)nc1 ZINC000003566357 181035963 /nfs/dbraw/zinc/03/59/63/181035963.db2.gz UOQINFCOEPZSLJ-UHFFFAOYSA-N -1 0 308.790 3.025 50 0 DGAARM COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000004673148 181134593 /nfs/dbraw/zinc/13/45/93/181134593.db2.gz PKTJEBHTIFAIID-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)no1 ZINC000004751777 181148533 /nfs/dbraw/zinc/14/85/33/181148533.db2.gz DWDWMFNWQQKEGP-UHFFFAOYSA-N -1 0 306.318 3.076 50 0 DGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000004785198 181152031 /nfs/dbraw/zinc/15/20/31/181152031.db2.gz YQKGVMFMRDBYOW-UHFFFAOYSA-N -1 0 320.292 3.111 50 0 DGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000148662750 299227546 /nfs/dbraw/zinc/22/75/46/299227546.db2.gz JMTNMARHLIFJJE-WCFLWFBJSA-N -1 0 307.777 3.184 50 0 DGAARM COc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000004976847 181183027 /nfs/dbraw/zinc/18/30/27/181183027.db2.gz MMZUCRRTSASPKO-GJZGRUSLSA-N -1 0 303.358 3.081 50 0 DGAARM CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)[O-])cs2)n1 ZINC000005242830 181220300 /nfs/dbraw/zinc/22/03/00/181220300.db2.gz WUTQEWPQISPRGG-UHFFFAOYSA-N -1 0 305.281 3.169 50 0 DGAARM COc1ccc(S([O-])=CC(=O)c2cc(C)c(O)c(C)c2)cc1 ZINC000005361921 181234316 /nfs/dbraw/zinc/23/43/16/181234316.db2.gz TTWDMULBPJCMCA-JOCHJYFZSA-N -1 0 318.394 3.008 50 0 DGAARM COC(C)(C)C[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000081458238 192270047 /nfs/dbraw/zinc/27/00/47/192270047.db2.gz SOKNSHWDXBCUNG-SECBINFHSA-N -1 0 308.403 3.424 50 0 DGAARM CCc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000236998534 202115079 /nfs/dbraw/zinc/11/50/79/202115079.db2.gz URZZOMFQCFSQFI-OAHLLOKOSA-N -1 0 316.426 3.422 50 0 DGAARM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(Cl)s1 ZINC000005827278 181287828 /nfs/dbraw/zinc/28/78/28/181287828.db2.gz HUMQVNPSOFYCGX-UHFFFAOYSA-N -1 0 313.791 3.079 50 0 DGAARM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237405263 202255932 /nfs/dbraw/zinc/25/59/32/202255932.db2.gz SQHNLVKMBPSYPG-SWLSCSKDSA-N -1 0 307.365 3.175 50 0 DGAARM O=C([O-])c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000005945365 181298969 /nfs/dbraw/zinc/29/89/69/181298969.db2.gz VUMVMAWMHFAZQZ-CBAPKCEASA-N -1 0 317.292 3.303 50 0 DGAARM Cc1oc(CNC(=O)[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000089629734 192830279 /nfs/dbraw/zinc/83/02/79/192830279.db2.gz MHMXHIWDJZYGOI-LLVKDONJSA-N -1 0 301.342 3.015 50 0 DGAARM Cc1nc(CN2CCC[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000237636286 202312065 /nfs/dbraw/zinc/31/20/65/202312065.db2.gz WZBBIRUNXHFNIY-CYBMUJFWSA-N -1 0 320.776 3.352 50 0 DGAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237639119 202313950 /nfs/dbraw/zinc/31/39/50/202313950.db2.gz MDQGXALXEHTHAP-KSZLIROESA-N -1 0 323.392 3.431 50 0 DGAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000237907833 202388975 /nfs/dbraw/zinc/38/89/75/202388975.db2.gz UGYYLWWLKFHWRU-MGPQQGTHSA-N -1 0 321.442 3.406 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000006330660 181330457 /nfs/dbraw/zinc/33/04/57/181330457.db2.gz KABYKUULLJDORI-NEPJUHHUSA-N -1 0 324.174 3.055 50 0 DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCCCc2ccccc2)C1 ZINC000006395157 181337021 /nfs/dbraw/zinc/33/70/21/181337021.db2.gz AAOHSDNOBNQFDT-SJORKVTESA-N -1 0 315.413 3.183 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(OC)c1 ZINC000006502376 181346274 /nfs/dbraw/zinc/34/62/74/181346274.db2.gz LTIHYZMLWKRYKH-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1 ZINC000006623299 181362492 /nfs/dbraw/zinc/36/24/92/181362492.db2.gz OLJLVUAXMNKYQC-UHFFFAOYSA-N -1 0 317.197 3.498 50 0 DGAARM CCc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2OC)c1 ZINC000006700109 181372625 /nfs/dbraw/zinc/37/26/25/181372625.db2.gz IFEXABWCODXRQI-UHFFFAOYSA-N -1 0 321.398 3.067 50 0 DGAARM Cc1ccc(C)c(-c2csc(NC(=O)CCC(=O)[O-])n2)c1 ZINC000006730996 181379045 /nfs/dbraw/zinc/37/90/45/181379045.db2.gz UHLXMIYSYIFDLX-UHFFFAOYSA-N -1 0 304.371 3.230 50 0 DGAARM C[C@@H](C(=O)[O-])n1cc(-c2cccc(Oc3ccccc3)c2)nn1 ZINC000091636699 193082503 /nfs/dbraw/zinc/08/25/03/193082503.db2.gz OYUVKFDPCVYPOS-LBPRGKRZSA-N -1 0 309.325 3.383 50 0 DGAARM Cc1nc(C2CC2)oc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262708740 203389863 /nfs/dbraw/zinc/38/98/63/203389863.db2.gz BDZJXURICODWNJ-UHFFFAOYSA-N -1 0 314.341 3.428 50 0 DGAARM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ncc(C)s1 ZINC000095976718 193470993 /nfs/dbraw/zinc/47/09/93/193470993.db2.gz FZBUFIKUDMNQET-GFCCVEGCSA-N -1 0 304.371 3.031 50 0 DGAARM CCC(C)(C)C1CCC(NC(=O)CSCCC(=O)[O-])CC1 ZINC000015565474 182007121 /nfs/dbraw/zinc/00/71/21/182007121.db2.gz OOKOZHFSCAZFIJ-UHFFFAOYSA-N -1 0 315.479 3.306 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)c1ccc(Br)cc1 ZINC000000193388 304176202 /nfs/dbraw/zinc/17/62/02/304176202.db2.gz YKXCZGZEZFUISQ-NEPJUHHUSA-N -1 0 309.159 3.299 50 0 DGAARM COc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000025204967 182404717 /nfs/dbraw/zinc/40/47/17/182404717.db2.gz BZPZWPYNXYNBTO-HNNXBMFYSA-N -1 0 317.316 3.031 50 0 DGAARM O=C([O-])c1csc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000026423392 182440608 /nfs/dbraw/zinc/44/06/08/182440608.db2.gz VVBUCYMUOHPRLV-UHFFFAOYSA-N -1 0 304.249 3.484 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000050921535 183807991 /nfs/dbraw/zinc/80/79/91/183807991.db2.gz USOWJBFTWZDYKB-MRVPVSSYSA-N -1 0 319.188 3.181 50 0 DGAARM O=C([O-])c1cc2c(cc1NCc1cccs1)OCCCO2 ZINC000007986631 304228577 /nfs/dbraw/zinc/22/85/77/304228577.db2.gz YGBOLPQDQODWGC-UHFFFAOYSA-N -1 0 305.355 3.220 50 0 DGAARM Cc1ccc2oc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2c1 ZINC000058365176 184109325 /nfs/dbraw/zinc/10/93/25/184109325.db2.gz FOOKDDWUDBXTBP-UHFFFAOYSA-N -1 0 301.342 3.259 50 0 DGAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000065493705 184354328 /nfs/dbraw/zinc/35/43/28/184354328.db2.gz GJVQMIWVHYETMP-JTQLQIEISA-N -1 0 319.744 3.033 50 0 DGAARM O=C([O-])c1cccc(C(F)(F)F)c1I ZINC000016159338 304258542 /nfs/dbraw/zinc/25/85/42/304258542.db2.gz DNGSEJLGVHIEEZ-UHFFFAOYSA-N -1 0 316.016 3.008 50 0 DGAARM CC(C)Cc1nc(C(=O)Nc2cccc(CC(=O)[O-])c2)cs1 ZINC000154982719 197010521 /nfs/dbraw/zinc/01/05/21/197010521.db2.gz PUNKFCFILAOAIE-UHFFFAOYSA-N -1 0 318.398 3.221 50 0 DGAARM O=C([O-])c1ccccc1S[C@@H]1CCc2ccccc2NC1=O ZINC000020727208 304271569 /nfs/dbraw/zinc/27/15/69/304271569.db2.gz DMYSJFHOULWIDY-OAHLLOKOSA-N -1 0 313.378 3.430 50 0 DGAARM CC(C)[C@H](C(=O)[O-])[S@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000097826608 257253282 /nfs/dbraw/zinc/25/32/82/257253282.db2.gz LEEPCYDDRNDMJN-GIPWTMENSA-N -1 0 308.321 3.063 50 0 DGAARM CC(C)[C@H](C(=O)[O-])[S@@](=O)Cc1ccc(C(F)(F)F)cc1 ZINC000097826606 257253391 /nfs/dbraw/zinc/25/33/91/257253391.db2.gz LEEPCYDDRNDMJN-BIBXISHDSA-N -1 0 308.321 3.063 50 0 DGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cc(C)ccc2C)cc1 ZINC000000617701 257254261 /nfs/dbraw/zinc/25/42/61/257254261.db2.gz SBZMUPUHHYRRIP-UHFFFAOYSA-N -1 0 302.395 3.268 50 0 DGAARM COc1ccc(C(=O)NC(=S)Nc2ccccc2[S-])cc1 ZINC000004982262 400085988 /nfs/dbraw/zinc/08/59/88/400085988.db2.gz GINNISXIRFSERB-UHFFFAOYSA-N -1 0 318.423 3.111 50 0 DGAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1ccccn1 ZINC000000425258 400079548 /nfs/dbraw/zinc/07/95/48/400079548.db2.gz RVRVZYVVOGVQFI-UHFFFAOYSA-N -1 0 303.774 3.156 50 0 DGAARM CCOCCCn1c(=O)c2oc3ccccc3c2[n-]c1=S ZINC000101270931 400292827 /nfs/dbraw/zinc/29/28/27/400292827.db2.gz QEZKNQIEKIUSAB-UHFFFAOYSA-N -1 0 304.371 3.232 50 0 DGAARM COc1cccc(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000039975118 400400675 /nfs/dbraw/zinc/40/06/75/400400675.db2.gz VCBMIFXOTLVPFA-UHFFFAOYSA-N -1 0 309.412 3.218 50 0 DGAARM O=c1[nH]c2ccccc2c([O-])c1-c1nc(-c2cccc(F)c2)no1 ZINC000075536622 400592217 /nfs/dbraw/zinc/59/22/17/400592217.db2.gz MQBQEGQGKCZQDS-UHFFFAOYSA-N -1 0 323.283 3.090 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)o1 ZINC000606441498 400912912 /nfs/dbraw/zinc/91/29/12/400912912.db2.gz YLPCBVIOBMRWIX-CKXPSTMWSA-N -1 0 311.337 3.296 50 0 DGAARM COC(=O)c1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000606443526 400913047 /nfs/dbraw/zinc/91/30/47/400913047.db2.gz APMKMIRYLQUWHW-FBFSCSHHSA-N -1 0 315.350 3.198 50 0 DGAARM Cc1cc(C)c(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000630178867 401210300 /nfs/dbraw/zinc/21/03/00/401210300.db2.gz WCDNILMOLZFAQA-ZDUSSCGKSA-N -1 0 321.373 3.102 50 0 DGAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000630272420 401230456 /nfs/dbraw/zinc/23/04/56/401230456.db2.gz KPHBBUKZNAVWOY-MISXGVKJSA-N -1 0 307.777 3.055 50 0 DGAARM CC1(c2nc(=NC(=O)CC3CCC(F)(F)CC3)s[n-]2)CC1 ZINC000628540767 401613511 /nfs/dbraw/zinc/61/35/11/401613511.db2.gz UDJAOMJNOJYCHV-UHFFFAOYSA-N -1 0 315.389 3.166 50 0 DGAARM CCOc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000002584132 286551748 /nfs/dbraw/zinc/55/17/48/286551748.db2.gz MGOYAZLHALPYRG-UHFFFAOYSA-N -1 0 323.968 3.309 50 0 DGAARM CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCC2 ZINC000045951713 286777755 /nfs/dbraw/zinc/77/77/55/286777755.db2.gz KUMXRUUTBNJLKU-DOMZBBRYSA-N -1 0 301.386 3.422 50 0 DGAARM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000131943890 196212961 /nfs/dbraw/zinc/21/29/61/196212961.db2.gz BTMGKTHCKTULOB-ZDUSSCGKSA-N -1 0 301.367 3.194 50 0 DGAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000177481502 228330871 /nfs/dbraw/zinc/33/08/71/228330871.db2.gz BIPNKEARMPCEOW-GFCCVEGCSA-N -1 0 319.719 3.308 50 0 DGAARM CC[C@H](C)N1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O ZINC000005554890 287595069 /nfs/dbraw/zinc/59/50/69/287595069.db2.gz CDEHCKCDXDGRSX-RILYUOAZSA-N -1 0 305.355 3.220 50 0 DGAARM N#Cc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000096307127 262501474 /nfs/dbraw/zinc/50/14/74/262501474.db2.gz QMMQULHKVBWBIG-YHYXMXQVSA-N -1 0 321.332 3.308 50 0 DGAARM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1OC ZINC000000453214 262529510 /nfs/dbraw/zinc/52/95/10/262529510.db2.gz TZYXKOWJIFWEAS-UHFFFAOYSA-N -1 0 324.336 3.255 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000347519430 264234381 /nfs/dbraw/zinc/23/43/81/264234381.db2.gz NYRDBIRALVBZCR-QGZUEGPWSA-N -1 0 319.376 3.475 50 0 DGAARM Cc1nc(NC#N)[n-]c(=O)c1Oc1ccc(Cl)cc1Cl ZINC000026949531 425813717 /nfs/dbraw/zinc/81/37/17/425813717.db2.gz JFRHURBTTRFKBQ-UHFFFAOYSA-N -1 0 311.128 3.483 50 0 DGAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003643746 277949510 /nfs/dbraw/zinc/94/95/10/277949510.db2.gz FQEPJUOLUDFINX-DOTOQJQBSA-N -1 0 308.333 3.167 50 0 DGAARM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000236805527 278597763 /nfs/dbraw/zinc/59/77/63/278597763.db2.gz OJNCKRPQLWRDEU-HNNXBMFYSA-N -1 0 303.402 3.111 50 0 DGAARM O=C([O-])CN1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000000085009 431122957 /nfs/dbraw/zinc/12/29/57/431122957.db2.gz FGIBWKPQWXRUBP-HNNXBMFYSA-N -1 0 313.378 3.341 50 0 in-vitro DGAARM Cc1c(O[C@@H](C)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCCC3 ZINC000000107614 431124597 /nfs/dbraw/zinc/12/45/97/431124597.db2.gz ZEPUTSVZUGFVPT-NSHDSACASA-N -1 0 316.353 3.222 50 0 DGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccs2)cc1 ZINC000000106264 431125039 /nfs/dbraw/zinc/12/50/39/431125039.db2.gz WWLQRKAJQCHHFO-CYBMUJFWSA-N -1 0 319.382 3.093 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000116171 431129364 /nfs/dbraw/zinc/12/93/64/431129364.db2.gz XJNLRKFXYNBXOR-CQSZACIVSA-N -1 0 321.735 3.425 50 0 DGAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1-c1ccccc1 ZINC000000148185 431134460 /nfs/dbraw/zinc/13/44/60/431134460.db2.gz AXLNADORRZQCOR-UHFFFAOYSA-N -1 0 319.320 3.094 50 0 DGAARM O=C([O-])c1ccc(CSc2nnc(-c3ccco3)o2)cc1 ZINC000000133684 431131844 /nfs/dbraw/zinc/13/18/44/431131844.db2.gz CLVLJBFHMCSDCS-UHFFFAOYSA-N -1 0 302.311 3.320 50 0 DGAARM COc1ccccc1NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000190217 431141638 /nfs/dbraw/zinc/14/16/38/431141638.db2.gz UHVXTHWPROQFCT-APPDUMDISA-N -1 0 305.374 3.161 50 0 DGAARM O=S(=O)([N-]c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000000367779 431172690 /nfs/dbraw/zinc/17/26/90/431172690.db2.gz HFHRFOVVQAWLAT-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM C[C@@H](NC(=O)c1ccccc1)c1n[n-]c(=S)n1-c1ccccc1 ZINC000000495331 431193720 /nfs/dbraw/zinc/19/37/20/431193720.db2.gz QLNHUSWQXWMCEH-GFCCVEGCSA-N -1 0 324.409 3.421 50 0 DGAARM CC(C)CCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000000507655 431193961 /nfs/dbraw/zinc/19/39/61/431193961.db2.gz BKEXFKSRLHKXKM-INIZCTEOSA-N -1 0 321.417 3.341 50 0 DGAARM CCOc1nc(=O)[n-]c(N(c2ccccc2)c2ccccc2)n1 ZINC000001446025 431230505 /nfs/dbraw/zinc/23/05/05/431230505.db2.gz QBKOEQKMSLZVSH-UHFFFAOYSA-N -1 0 308.341 3.033 50 0 DGAARM CCCCCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002292269 431247340 /nfs/dbraw/zinc/24/73/40/431247340.db2.gz DLUSUFYRJJDNKI-INIZCTEOSA-N -1 0 321.417 3.485 50 0 DGAARM CCc1c(C(=O)[O-])nnn1-c1cc(C(F)(F)F)ccc1Cl ZINC000071327495 431278206 /nfs/dbraw/zinc/27/82/06/431278206.db2.gz MMQUEHQVKMYUDM-UHFFFAOYSA-N -1 0 319.670 3.200 50 0 DGAARM O=C([O-])CN1C(=O)[C@@H](Cc2ccc(Cl)cc2)c2ccccc21 ZINC000071405118 431279911 /nfs/dbraw/zinc/27/99/11/431279911.db2.gz DJNJFQSPPAANPQ-AWEZNQCLSA-N -1 0 315.756 3.098 50 0 DGAARM O=C(N=c1nc(-c2ccccc2)[n-]s1)OCC(F)(F)F ZINC000071790915 431286642 /nfs/dbraw/zinc/28/66/42/431286642.db2.gz KILREJRXNFDMHJ-UHFFFAOYSA-N -1 0 303.265 3.316 50 0 DGAARM COc1ccc(/C=C/C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000003229985 431287303 /nfs/dbraw/zinc/28/73/03/431287303.db2.gz GAFUVHKMKJLBPP-FMIVXFBMSA-N -1 0 311.337 3.070 50 0 DGAARM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1 ZINC000071818092 431293489 /nfs/dbraw/zinc/29/34/89/431293489.db2.gz ZCWCDYBUCRUSGY-UHFFFAOYSA-N -1 0 319.382 3.309 50 0 DGAARM CC1=CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H](C(=O)[O-])C1 ZINC000004713587 431299298 /nfs/dbraw/zinc/29/92/98/431299298.db2.gz VOKRAUZDTBXLAD-QWRGUYRKSA-N -1 0 316.382 3.292 50 0 DGAARM O=c1[nH]c(=S)[nH]c([O-])c1C(c1ccccc1)c1ccccc1 ZINC000005080441 431306900 /nfs/dbraw/zinc/30/69/00/431306900.db2.gz YBWIWVMDBAGZDB-UHFFFAOYSA-N -1 0 310.378 3.318 50 0 DGAARM CCCC[C@@H](CC)c1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC000002783250 431269940 /nfs/dbraw/zinc/26/99/40/431269940.db2.gz XNDJYCLCWHAHFX-SNVBAGLBSA-N -1 0 313.423 3.415 50 0 DGAARM CCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000007053739 431328961 /nfs/dbraw/zinc/32/89/61/431328961.db2.gz OSHYWQDOODJFDL-UHFFFAOYSA-N -1 0 319.382 3.138 50 0 DGAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1C ZINC000009089997 431420562 /nfs/dbraw/zinc/42/05/62/431420562.db2.gz AJOTZFRZHWJFQF-UHFFFAOYSA-N -1 0 314.370 3.315 50 0 DGAARM O=c1nc(CSCCOc2ccccc2)[n-]c2ccsc21 ZINC000009608703 431441629 /nfs/dbraw/zinc/44/16/29/431441629.db2.gz DAXUURNYGQLMRB-UHFFFAOYSA-N -1 0 318.423 3.297 50 0 DGAARM CCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000009780228 431446025 /nfs/dbraw/zinc/44/60/25/431446025.db2.gz ATZGIGYGIUMTOM-CABCVRRESA-N -1 0 305.374 3.305 50 0 DGAARM COc1ccc2cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc2c1 ZINC000012775504 431526545 /nfs/dbraw/zinc/52/65/45/431526545.db2.gz PQFGETIRHZBYEY-MRXNPFEDSA-N -1 0 315.369 3.078 50 0 DGAARM COc1ccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c1 ZINC000012775500 431527023 /nfs/dbraw/zinc/52/70/23/431527023.db2.gz PQFGETIRHZBYEY-INIZCTEOSA-N -1 0 315.369 3.078 50 0 DGAARM Cc1nc2cc(NC(=O)C[C@@](C)(C(=O)[O-])C(C)C)ccc2o1 ZINC000012786725 431528752 /nfs/dbraw/zinc/52/87/52/431528752.db2.gz LVRWOGFVKXXALZ-MRXNPFEDSA-N -1 0 304.346 3.212 50 0 DGAARM O=c1[n-]c(SCc2ccccc2F)nnc1-c1ccccc1 ZINC000011990968 431486890 /nfs/dbraw/zinc/48/68/90/431486890.db2.gz PAOPESVRQAUWCF-UHFFFAOYSA-N -1 0 313.357 3.263 50 0 DGAARM CCCn1cc2c(n1)nc(SCC(=O)[O-])cc2C(F)(F)F ZINC000012398359 431507012 /nfs/dbraw/zinc/50/70/12/431507012.db2.gz XRLYRJISPDDQSC-UHFFFAOYSA-N -1 0 319.308 3.037 50 0 DGAARM O=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 ZINC000012505253 431509825 /nfs/dbraw/zinc/50/98/25/431509825.db2.gz CEGALBYAHSRKPS-UHFFFAOYSA-N -1 0 319.320 3.438 50 0 DGAARM O=C([O-])c1cc(NN=Cc2ccc3c(c2)OCO3)ccc1Cl ZINC000013146993 431549997 /nfs/dbraw/zinc/54/99/97/431549997.db2.gz YASVCSIUJMAYMV-UHFFFAOYSA-N -1 0 318.716 3.213 50 0 DGAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC000013253766 431551601 /nfs/dbraw/zinc/55/16/01/431551601.db2.gz LWLAEWRMCMXBCV-CQSZACIVSA-N -1 0 301.317 3.331 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000013225109 431552680 /nfs/dbraw/zinc/55/26/80/431552680.db2.gz WTGUZMFDJZIQPU-MRXNPFEDSA-N -1 0 315.344 3.091 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1cccs1 ZINC000013388728 431554549 /nfs/dbraw/zinc/55/45/49/431554549.db2.gz GXNULCSMEKCFGM-LLVKDONJSA-N -1 0 309.774 3.347 50 0 DGAARM Cc1cc(C(=O)[N-]c2nnc(-c3ccc4c(c3)CCCC4)o2)on1 ZINC000012870259 280375281 /nfs/dbraw/zinc/37/52/81/280375281.db2.gz UBGUTQKLFISPEM-UHFFFAOYSA-N -1 0 324.340 3.164 50 0 DGAARM COC(=O)CCCCc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000025663122 431662019 /nfs/dbraw/zinc/66/20/19/431662019.db2.gz VTISCLRXYUUQKA-UHFFFAOYSA-N -1 0 306.358 3.010 50 0 DGAARM O=c1c(-c2nc(-c3ccccc3)no2)c[n-]c2ccc(F)cc21 ZINC000020739420 431627071 /nfs/dbraw/zinc/62/70/71/431627071.db2.gz XFFJKLVJACHGQV-UHFFFAOYSA-N -1 0 307.284 3.384 50 0 DGAARM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263572472 280565281 /nfs/dbraw/zinc/56/52/81/280565281.db2.gz KZBQLMPTYDQTCO-OAHLLOKOSA-N -1 0 324.380 3.065 50 0 DGAARM COc1ccccc1-n1nc(-c2cccs2)cc1C(=O)[O-] ZINC000025761824 431662347 /nfs/dbraw/zinc/66/23/47/431662347.db2.gz LBXKNBVBBLPEOT-UHFFFAOYSA-N -1 0 300.339 3.308 50 0 DGAARM CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)[O-])c1C ZINC000032919458 431800865 /nfs/dbraw/zinc/80/08/65/431800865.db2.gz VUVFGHPEUSMUMX-UHFFFAOYSA-N -1 0 301.342 3.033 50 0 DGAARM CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1cc2ccccc2[nH]1 ZINC000032919109 431801248 /nfs/dbraw/zinc/80/12/48/431801248.db2.gz LDTPEGGFXPAONH-IAGOWNOFSA-N -1 0 320.348 3.163 50 0 DGAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)o2)c1C ZINC000033262043 431809742 /nfs/dbraw/zinc/80/97/42/431809742.db2.gz HAWPAUZPCPEBDJ-UHFFFAOYSA-N -1 0 317.370 3.087 50 0 DGAARM O=C([O-])c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O ZINC000036666903 431840155 /nfs/dbraw/zinc/84/01/55/431840155.db2.gz HEHODTXZHOSVAM-UHFFFAOYSA-N -1 0 307.520 3.236 50 0 DGAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(F)cc1Cl ZINC000044253256 431871981 /nfs/dbraw/zinc/87/19/81/431871981.db2.gz VFJZJIGRMSLMLV-UHFFFAOYSA-N -1 0 303.717 3.419 50 0 DGAARM O=C([O-])CCc1cc(Br)cc(Br)c1 ZINC000034875700 431821897 /nfs/dbraw/zinc/82/18/97/431821897.db2.gz AMKWPMUHANVQSZ-UHFFFAOYSA-N -1 0 307.969 3.229 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000035303039 431828812 /nfs/dbraw/zinc/82/88/12/431828812.db2.gz YXGAQWQUSHQSAN-LBPRGKRZSA-N -1 0 306.749 3.044 50 0 DGAARM Cn1cccc1[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000035399824 431830792 /nfs/dbraw/zinc/83/07/92/431830792.db2.gz QDXJQUVDHYDFEZ-CYBMUJFWSA-N -1 0 314.414 3.073 50 0 DGAARM COc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000045795936 431890072 /nfs/dbraw/zinc/89/00/72/431890072.db2.gz WDOAJUVHROGHTI-UHFFFAOYSA-N -1 0 309.321 3.209 50 0 DGAARM COc1ccc(-c2nc(-n3cccc3)sc2C(=O)[O-])cc1 ZINC000045922761 431892052 /nfs/dbraw/zinc/89/20/52/431892052.db2.gz GXGFCPDSXGONFF-UHFFFAOYSA-N -1 0 300.339 3.308 50 0 DGAARM CC(C)C(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000045967554 431892452 /nfs/dbraw/zinc/89/24/52/431892452.db2.gz WWEJAHDBHLZBTG-UHFFFAOYSA-N -1 0 304.390 3.360 50 0 DGAARM CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000047103242 431905914 /nfs/dbraw/zinc/90/59/14/431905914.db2.gz AZIURTJSAYCDOE-SNVBAGLBSA-N -1 0 317.414 3.260 50 0 DGAARM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1F ZINC000095992048 431932488 /nfs/dbraw/zinc/93/24/88/431932488.db2.gz VLEJERRRSUIPRU-ZDUSSCGKSA-N -1 0 321.392 3.207 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1 ZINC000095989782 431933085 /nfs/dbraw/zinc/93/30/85/431933085.db2.gz RZIIGWXIRXNDQA-GFCCVEGCSA-N -1 0 311.696 3.018 50 0 DGAARM CCCCCS(=O)(=O)[N-]c1nnc(CC2CCCC2)s1 ZINC000095995776 431933351 /nfs/dbraw/zinc/93/33/51/431933351.db2.gz APDBXMHQFAGSFC-UHFFFAOYSA-N -1 0 317.480 3.203 50 0 DGAARM O=C(NOCc1ccccc1)c1ccc(Br)cc1[O-] ZINC000049447068 431940466 /nfs/dbraw/zinc/94/04/66/431940466.db2.gz OCAYEZCVARIVGB-UHFFFAOYSA-N -1 0 322.158 3.016 50 0 DGAARM C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000096313956 431945018 /nfs/dbraw/zinc/94/50/18/431945018.db2.gz GPRTWIBJEBPKOL-SZNGSJQDSA-N -1 0 321.332 3.306 50 0 DGAARM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1c(C)nn(C)c1C ZINC000096441067 431950355 /nfs/dbraw/zinc/95/03/55/431950355.db2.gz QPHNBRAMIIXPRU-ZDUSSCGKSA-N -1 0 321.808 3.277 50 0 DGAARM CCC(CC)n1nccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000097036161 431957206 /nfs/dbraw/zinc/95/72/06/431957206.db2.gz BDJYSYBIRDVULA-UHFFFAOYSA-N -1 0 319.336 3.334 50 0 DGAARM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000097045105 431957958 /nfs/dbraw/zinc/95/79/58/431957958.db2.gz YRFKUHRSBMZFMI-GJZGRUSLSA-N -1 0 303.402 3.284 50 0 DGAARM CN1CCC[C@@H]1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000097079796 431959800 /nfs/dbraw/zinc/95/98/00/431959800.db2.gz ZGKZKUYMSXYCLI-MRVPVSSYSA-N -1 0 323.607 3.385 50 0 DGAARM Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000097160147 431963387 /nfs/dbraw/zinc/96/33/87/431963387.db2.gz IJQGMRDJTIHXAG-UHFFFAOYSA-N -1 0 324.130 3.301 50 0 DGAARM O=C([O-])c1ccc(F)c(NC(=O)c2ccn(C3CCCC3)n2)c1 ZINC000097231279 431966313 /nfs/dbraw/zinc/96/63/13/431966313.db2.gz BGYHKECWRHLBSW-UHFFFAOYSA-N -1 0 317.320 3.088 50 0 DGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000252487462 432377510 /nfs/dbraw/zinc/37/75/10/432377510.db2.gz YGSJUJLXTXHZGE-VBNZEHGJSA-N -1 0 319.376 3.033 50 0 DGAARM O=C([O-])c1ccc(NN=Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000254442080 432403933 /nfs/dbraw/zinc/40/39/33/432403933.db2.gz ZLRPVOJNQZWNQD-UHFFFAOYSA-N -1 0 324.315 3.360 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1nccc2ccccc21 ZINC000261723320 432445264 /nfs/dbraw/zinc/44/52/64/432445264.db2.gz MDRJJLFZTHLCHQ-AWEZNQCLSA-N -1 0 312.369 3.094 50 0 DGAARM COc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc(OC)c1OC ZINC000255493003 432410832 /nfs/dbraw/zinc/41/08/32/432410832.db2.gz IHFARTATDQNZTO-PLNGDYQASA-N -1 0 321.354 3.038 50 0 DGAARM COc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1OC(C)C ZINC000262807567 432503686 /nfs/dbraw/zinc/50/36/86/432503686.db2.gz OLXGRJLKRFLGNW-UHFFFAOYSA-N -1 0 319.313 3.026 50 0 DGAARM Cc1noc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1C ZINC000194609430 432562357 /nfs/dbraw/zinc/56/23/57/432562357.db2.gz JTHUWEDIOZENMD-UHFFFAOYSA-N -1 0 318.757 3.026 50 0 DGAARM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC(C(C)(C)C)CC1 ZINC000263029288 432513527 /nfs/dbraw/zinc/51/35/27/432513527.db2.gz USPIMASJBUBOJK-UHFFFAOYSA-N -1 0 307.390 3.113 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000195541332 432626309 /nfs/dbraw/zinc/62/63/09/432626309.db2.gz JHJZFSHNGNBNSA-QGZVFWFLSA-N -1 0 311.381 3.096 50 0 DGAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000097035687 288388837 /nfs/dbraw/zinc/38/88/37/288388837.db2.gz OHIZMPYOYNXMHC-PIGZYNQJSA-N -1 0 303.358 3.296 50 0 DGAARM O=C1C[C@H](c2ccc(O)c(Cl)c2)c2cc3c(cc2O1)OCO3 ZINC000218282992 432657717 /nfs/dbraw/zinc/65/77/17/432657717.db2.gz OXZMSDJQSTWSNH-SECBINFHSA-N -1 0 318.712 3.215 50 0 DGAARM O=C([O-])C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000225466141 432692943 /nfs/dbraw/zinc/69/29/43/432692943.db2.gz KZQDNSJPXONJQF-MSOLQXFVSA-N -1 0 323.392 3.267 50 0 DGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000238000729 432808318 /nfs/dbraw/zinc/80/83/18/432808318.db2.gz UZZUVPMOOYLPOS-MRXNPFEDSA-N -1 0 303.402 3.113 50 0 DGAARM Cc1nc(C(=O)N2CC3(CCC3)c3ccccc32)ccc1C(=O)[O-] ZINC000263581635 293159288 /nfs/dbraw/zinc/15/92/88/293159288.db2.gz XKPDRUWDMKVJOK-UHFFFAOYSA-N -1 0 322.364 3.170 50 0 DGAARM COCc1cc(C)nc2sc(C(=O)[O-])c(-n3cccc3)c21 ZINC000000054557 293298563 /nfs/dbraw/zinc/29/85/63/293298563.db2.gz YQXAVQZFNHDKRS-UHFFFAOYSA-N -1 0 302.355 3.240 50 0 DGAARM C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC000653332797 436163229 /nfs/dbraw/zinc/16/32/29/436163229.db2.gz IFJBOVXNQQFIDF-KOZAUXTDSA-N -1 0 301.386 3.242 50 0 DGAARM Cc1ccc2nc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2c1 ZINC000000441653 301926699 /nfs/dbraw/zinc/92/66/99/301926699.db2.gz BGHAFOSGELEWAZ-MNOVXSKESA-N -1 0 316.382 3.210 50 0 DGAARM Cc1ccccc1[C@@H]1N[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000000408709 302168915 /nfs/dbraw/zinc/16/89/15/302168915.db2.gz ZWUFJJZEDYFKJZ-IRXDYDNUSA-N -1 0 306.365 3.165 50 0 biogenic DGAARM Cc1ccc(C(F)(F)F)cc1C(=O)N(CC(=O)[O-])CC(C)C ZINC000534649382 334316992 /nfs/dbraw/zinc/31/69/92/334316992.db2.gz KFQMXWTVMGHVKD-UHFFFAOYSA-N -1 0 317.307 3.197 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000177481517 534538088 /nfs/dbraw/zinc/53/80/88/534538088.db2.gz BIPNKEARMPCEOW-LBPRGKRZSA-N -1 0 319.719 3.308 50 0 DGAARM CCN(CC)c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000299767501 528295083 /nfs/dbraw/zinc/29/50/83/528295083.db2.gz HGDPHSKBPRCFEZ-INIZCTEOSA-N -1 0 318.417 3.002 50 0 DGAARM O=S(=O)(Nc1ccc(-c2cnco2)cc1)c1ccccc1 ZINC000000143536 545644310 /nfs/dbraw/zinc/64/43/10/545644310.db2.gz SRPXOSLKGTZMHP-UHFFFAOYSA-N -1 0 300.339 3.142 50 0 DGAARM Cc1ccc(C)c(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000220555932 546265047 /nfs/dbraw/zinc/26/50/47/546265047.db2.gz AYDYDBWUFNBISS-INIZCTEOSA-N -1 0 303.402 3.092 50 0 DGAARM CCc1ccccc1[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221033997 546265400 /nfs/dbraw/zinc/26/54/00/546265400.db2.gz BUFROQVSBNIRJD-CABCVRRESA-N -1 0 319.401 3.427 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000238219277 546293956 /nfs/dbraw/zinc/29/39/56/546293956.db2.gz NYRDBIRALVBZCR-CWDCEQMOSA-N -1 0 319.376 3.475 50 0 DGAARM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262940908 546341317 /nfs/dbraw/zinc/34/13/17/546341317.db2.gz LJCKRBIMCDBWNZ-FZMZJTMJSA-N -1 0 322.405 3.031 50 0 DGAARM CCc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000322389114 546474081 /nfs/dbraw/zinc/47/40/81/546474081.db2.gz PQIOTILTSPIAIO-INIZCTEOSA-N -1 0 309.365 3.468 50 0 DGAARM CC(C)c1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)no1 ZINC000669500394 547647918 /nfs/dbraw/zinc/64/79/18/547647918.db2.gz HONICHHLGTWWPA-UHFFFAOYSA-N -1 0 303.318 3.069 50 0 DGAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)c1cccs1 ZINC000170066819 563903518 /nfs/dbraw/zinc/90/35/18/563903518.db2.gz XZHAWNBMKCIPAY-TZMCWYRMSA-N -1 0 317.410 3.492 50 0 DGAARM Cc1ccc(C[C@H](CC(=O)[O-])C(=O)NC2CCCCC2)cc1 ZINC000013153947 657743938 /nfs/dbraw/zinc/74/39/38/657743938.db2.gz CZOJDEWFYMBQQZ-OAHLLOKOSA-N -1 0 303.402 3.077 50 0 DGAARM Cc1cc([C@H](NC(=O)CC2=CCCCC2)C(=O)[O-])ccc1F ZINC000263110730 658140203 /nfs/dbraw/zinc/14/02/03/658140203.db2.gz RQLKWTJJEAWVPH-INIZCTEOSA-N -1 0 305.349 3.267 50 0 DGAARM O=C([O-])c1ccc(CC(=O)N[C@@H](c2cccs2)C2CC2)cc1 ZINC000263370757 658216140 /nfs/dbraw/zinc/21/61/40/658216140.db2.gz YAXYPEXZRUIAKV-MRXNPFEDSA-N -1 0 315.394 3.256 50 0 DGAARM C[C@H](CCn1cccn1)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000071388798 660120410 /nfs/dbraw/zinc/12/04/10/660120410.db2.gz OISBNDZLNURDAE-CYBMUJFWSA-N -1 0 310.357 3.096 50 0 DGAARM O=c1[nH]c(=O)c2cc(-c3cc(Cl)c([O-])cc3F)ccc2[nH]1 ZINC001772700650 1176670114 /nfs/dbraw/zinc/67/01/14/1176670114.db2.gz FOLSLHQSQJXVME-UHFFFAOYSA-N -1 0 306.680 3.206 50 0 DGAARM CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1CC(C)C ZINC001505840740 1186146355 /nfs/dbraw/zinc/14/63/55/1186146355.db2.gz YDIFCVPDLGJGPX-JKSUJKDBSA-N -1 0 314.385 3.113 50 0 DGAARM Cc1ccc2c(c1)OC(C)(C)C[C@H]2Nc1cnc(C(=O)[O-])cn1 ZINC001506402074 1186221506 /nfs/dbraw/zinc/22/15/06/1186221506.db2.gz LVBURKLYANMYSM-GFCCVEGCSA-N -1 0 313.357 3.198 50 0 DGAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N(C)Cc1cccnc1 ZINC001506397327 1186221884 /nfs/dbraw/zinc/22/18/84/1186221884.db2.gz PTGKVCGDCUYLJR-HNNXBMFYSA-N -1 0 320.776 3.001 50 0 DGAARM C[C@H](c1ccccc1)N(CC1CCCCC1)C(=O)NCC(=O)[O-] ZINC001506398868 1186222397 /nfs/dbraw/zinc/22/23/97/1186222397.db2.gz GPEWFJJDOVYRNV-CQSZACIVSA-N -1 0 318.417 3.424 50 0 DGAARM COc1cc(-c2onc(N(C)CC3CC3)c2C(=O)[O-])ccc1F ZINC001704304953 1202519763 /nfs/dbraw/zinc/51/97/63/1202519763.db2.gz SNYQVNFYXIQVSF-UHFFFAOYSA-N -1 0 320.320 3.034 50 0 DGAARM Cc1cc(NCCCn2cccc2)nc(-c2ccccc2[O-])n1 ZINC001704339978 1202521633 /nfs/dbraw/zinc/52/16/33/1202521633.db2.gz ALIRSXOWWJKBGJ-UHFFFAOYSA-N -1 0 308.385 3.461 50 0 DGAARM C[C@H]([C@H]1Cc2ccccc21)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000952852418 1096781021 /nfs/dbraw/zinc/78/10/21/1096781021.db2.gz MIKBCSBVQIXKDE-SJKOYZFVSA-N -1 0 309.365 3.185 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2nccnc2C(C)C)sc1C ZINC000952879423 1096785088 /nfs/dbraw/zinc/78/50/88/1096785088.db2.gz QMQDGESNMFUREW-UHFFFAOYSA-N -1 0 311.432 3.079 50 0 DGAARM Cc1oc(CN(C)C(=O)c2cccc3ncccc32)cc1C(=O)[O-] ZINC000095425075 185361684 /nfs/dbraw/zinc/36/16/84/185361684.db2.gz OTWYOTFRMUNROO-UHFFFAOYSA-N -1 0 324.336 3.107 50 0 DGAARM C[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccsc1 ZINC000097017804 185397793 /nfs/dbraw/zinc/39/77/93/185397793.db2.gz GMOLPCGKOSLSMU-GFCCVEGCSA-N -1 0 317.410 3.299 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000097018949 185398018 /nfs/dbraw/zinc/39/80/18/185398018.db2.gz WYGQCCHZPLVBMO-UHFFFAOYSA-N -1 0 304.733 3.005 50 0 DGAARM O=C([O-])CCc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000097018950 185398063 /nfs/dbraw/zinc/39/80/63/185398063.db2.gz NPWRDINYGUJEEO-UHFFFAOYSA-N -1 0 308.337 3.437 50 0 DGAARM Cc1ccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)c(C)c1 ZINC000065215176 432011280 /nfs/dbraw/zinc/01/12/80/432011280.db2.gz BNBNCQWSBOCHGE-UHFFFAOYSA-N -1 0 314.366 3.164 50 0 DGAARM O=C([O-])C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000226750244 201785363 /nfs/dbraw/zinc/78/53/63/201785363.db2.gz UTRARBCPWFGPAZ-OAHLLOKOSA-N -1 0 315.344 3.091 50 0 DGAARM Cc1cc(N2CC(c3ccccn3)C2)nc(-c2ccccc2[O-])n1 ZINC000071755117 191024524 /nfs/dbraw/zinc/02/45/24/191024524.db2.gz LDVBZPISALQJMR-UHFFFAOYSA-N -1 0 318.380 3.156 50 0 DGAARM Cc1cc(C)n(C[C@H](C)n2ccnc2-c2ccc(C(=O)[O-])cc2)n1 ZINC000071767593 191028912 /nfs/dbraw/zinc/02/89/12/191028912.db2.gz RUFSJBWOJZOMAT-AWEZNQCLSA-N -1 0 324.384 3.323 50 0 DGAARM O=C([O-])C[C@H]1COCCN1Cc1ccc(-c2ccccc2)s1 ZINC000072163498 191063045 /nfs/dbraw/zinc/06/30/45/191063045.db2.gz DHOUTIRNGYBURZ-AWEZNQCLSA-N -1 0 317.410 3.091 50 0 DGAARM O=C([O-])c1ccc([C@H]2CC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000072172588 191069560 /nfs/dbraw/zinc/06/95/60/191069560.db2.gz KYDDQIIMVXXMPJ-HNNXBMFYSA-N -1 0 321.380 3.251 50 0 DGAARM Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000237452916 186292014 /nfs/dbraw/zinc/29/20/14/186292014.db2.gz RRZVGTHEQADICR-CABCVRRESA-N -1 0 303.402 3.202 50 0 DGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(-n2cccc2)c1 ZINC000072401003 191151364 /nfs/dbraw/zinc/15/13/64/191151364.db2.gz ZAWHREZNZJZPAJ-UHFFFAOYSA-N -1 0 320.348 3.357 50 0 DGAARM Cc1c2ccc(OCC(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000000052427 180678784 /nfs/dbraw/zinc/67/87/84/180678784.db2.gz RDBWTPZPKRABOQ-UHFFFAOYSA-N -1 0 324.332 3.156 50 0 DGAARM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)ccc1F ZINC000072414264 191155444 /nfs/dbraw/zinc/15/54/44/191155444.db2.gz AILLVCLFEVUJMZ-UHFFFAOYSA-N -1 0 316.357 3.483 50 0 DGAARM Cc1cc2occ(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c2cc1C ZINC000072427684 191161244 /nfs/dbraw/zinc/16/12/44/191161244.db2.gz NGLAOHSVBXSGGJ-OAHLLOKOSA-N -1 0 317.385 3.208 50 0 DGAARM Cc1cc2occ(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2cc1C ZINC000072427683 191161675 /nfs/dbraw/zinc/16/16/75/191161675.db2.gz NGLAOHSVBXSGGJ-HNNXBMFYSA-N -1 0 317.385 3.208 50 0 DGAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cccs3)C2)cc1 ZINC000072432914 191164635 /nfs/dbraw/zinc/16/46/35/191164635.db2.gz NBDHXWMUDCTXJW-ZDUSSCGKSA-N -1 0 315.394 3.151 50 0 DGAARM O=C([O-])C1=C(C(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1 ZINC000009435015 304035318 /nfs/dbraw/zinc/03/53/18/304035318.db2.gz KKVBCNLNJMBKHD-UHFFFAOYSA-N -1 0 303.402 3.027 50 0 DGAARM CCCCC(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000003001736 180976184 /nfs/dbraw/zinc/97/61/84/180976184.db2.gz FABBVPSFCAWZSJ-UHFFFAOYSA-N -1 0 314.794 3.041 50 0 DGAARM Cc1cc(C)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000003855809 181050205 /nfs/dbraw/zinc/05/02/05/181050205.db2.gz SWHSVJPXXSCZCN-UHFFFAOYSA-N -1 0 319.382 3.111 50 0 DGAARM O=C([O-])CCCCc1ccc(I)cc1 ZINC000004216583 181085339 /nfs/dbraw/zinc/08/53/39/181085339.db2.gz AVVFIQYGBUOFDN-UHFFFAOYSA-N -1 0 304.127 3.089 50 0 in-man DGAARM CC(C)C[C@@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000004316849 181096372 /nfs/dbraw/zinc/09/63/72/181096372.db2.gz SBAPFBZXXVHJOS-SNVBAGLBSA-N -1 0 305.403 3.091 50 0 DGAARM COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004652034 181132014 /nfs/dbraw/zinc/13/20/14/181132014.db2.gz YTFBBZBPPGLVCE-GHMZBOCLSA-N -1 0 311.765 3.178 50 0 DGAARM O=C([N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F)C(F)(F)F ZINC000004785399 181151714 /nfs/dbraw/zinc/15/17/14/181151714.db2.gz ALCIRSKCOFGSLW-SECBINFHSA-N -1 0 310.197 3.450 50 0 DGAARM O=C([N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F)C(F)(F)F ZINC000004785398 181151809 /nfs/dbraw/zinc/15/18/09/181151809.db2.gz ALCIRSKCOFGSLW-VIFPVBQESA-N -1 0 310.197 3.450 50 0 DGAARM COc1ccccc1-c1c(C)nn(-c2ccc(C(=O)[O-])cc2)c1N ZINC000004825536 181158323 /nfs/dbraw/zinc/15/83/23/181158323.db2.gz BCJUTQUGZGMTIQ-UHFFFAOYSA-N -1 0 323.352 3.137 50 0 DGAARM O=S1(=O)[N-]C(SCc2ccccc2)=Nc2ccc(F)cc21 ZINC000004853691 181163279 /nfs/dbraw/zinc/16/32/79/181163279.db2.gz XGOXMVBMRQWBGS-UHFFFAOYSA-N -1 0 322.386 3.229 50 0 DGAARM CSc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1 ZINC000005072386 181201225 /nfs/dbraw/zinc/20/12/25/181201225.db2.gz VPVLYMDRJUFCCS-XFFZJAGNSA-N -1 0 307.400 3.053 50 0 DGAARM Cc1ccc(Cc2nnc(Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000005154397 181211253 /nfs/dbraw/zinc/21/12/53/181211253.db2.gz KVPSSMUNTKOLIM-UHFFFAOYSA-N -1 0 320.396 3.425 50 0 DGAARM CC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000005163398 181212380 /nfs/dbraw/zinc/21/23/80/181212380.db2.gz UJBXQXKEZWALKE-JTQLQIEISA-N -1 0 305.161 3.224 50 0 DGAARM Cc1ccc(S([O-])=CC(=O)c2cc(C)c(O)c(C)c2)cc1 ZINC000005363587 181234945 /nfs/dbraw/zinc/23/49/45/181234945.db2.gz HNCXVZQRBIMQRJ-NRFANRHFSA-N -1 0 302.395 3.308 50 0 DGAARM CCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005277925 181225761 /nfs/dbraw/zinc/22/57/61/181225761.db2.gz BDJXFZURGOANDT-INIZCTEOSA-N -1 0 312.369 3.066 50 0 DGAARM Cc1cc(C)n(CCc2n[n-]c(=S)n2-c2ccc(C)cc2)n1 ZINC000005614404 181264082 /nfs/dbraw/zinc/26/40/82/181264082.db2.gz MSSMQQKENHRNAW-UHFFFAOYSA-N -1 0 313.430 3.294 50 0 DGAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1C ZINC000005687267 181272723 /nfs/dbraw/zinc/27/27/23/181272723.db2.gz YBCPZGCGUJSOFT-UHFFFAOYSA-N -1 0 308.337 3.103 50 0 DGAARM COc1ccc([C@@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000237226808 202197332 /nfs/dbraw/zinc/19/73/32/202197332.db2.gz SRIRSWXFUZNNJT-HNNXBMFYSA-N -1 0 319.401 3.250 50 0 DGAARM Cc1cccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000237624530 202308946 /nfs/dbraw/zinc/30/89/46/202308946.db2.gz LIZGXIAKKWYXIN-MRXNPFEDSA-N -1 0 303.402 3.174 50 0 DGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000237642992 202315531 /nfs/dbraw/zinc/31/55/31/202315531.db2.gz SGGBNDIUSLLGDH-LADRWXRNSA-N -1 0 315.413 3.284 50 0 DGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCc2cccc(Cl)c2)C1 ZINC000006741451 181380552 /nfs/dbraw/zinc/38/05/52/181380552.db2.gz RSJLGIHYIKURGX-CABCVRRESA-N -1 0 321.804 3.403 50 0 DGAARM CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000006884195 181401318 /nfs/dbraw/zinc/40/13/18/181401318.db2.gz FUPWHHXDOFSBKX-KRWDZBQOSA-N -1 0 311.381 3.044 50 0 DGAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000091656839 193086088 /nfs/dbraw/zinc/08/60/88/193086088.db2.gz SMEGGPFJAUATJG-SFHVURJKSA-N -1 0 320.433 3.350 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2cc[nH]c21 ZINC000110623963 304142208 /nfs/dbraw/zinc/14/22/08/304142208.db2.gz WZBQFYLEFMDEFY-QEJZJMRPSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2[nH]ccc21 ZINC000237980854 304142112 /nfs/dbraw/zinc/14/21/12/304142112.db2.gz CYCBGENBLOVXOA-UVBJJODRSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2[nH]ccc2c1 ZINC000261650679 203087575 /nfs/dbraw/zinc/08/75/75/203087575.db2.gz FFMXZVCLWSTTRB-MAZHCROVSA-N -1 0 312.369 3.026 50 0 DGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000261865354 203137382 /nfs/dbraw/zinc/13/73/82/203137382.db2.gz RQWIFMJOCIHGGJ-SECBINFHSA-N -1 0 307.733 3.023 50 0 DGAARM O=S(=O)([N-]c1cccc2cccnc21)c1c(F)cccc1F ZINC000007709466 181488711 /nfs/dbraw/zinc/48/87/11/181488711.db2.gz ZWOCMXJGOLXDPT-UHFFFAOYSA-N -1 0 320.320 3.314 50 0 DGAARM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000095970240 193467134 /nfs/dbraw/zinc/46/71/34/193467134.db2.gz QPHAYCVAZRDOKO-CQSZACIVSA-N -1 0 317.307 3.008 50 0 DGAARM CCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000009780234 181640793 /nfs/dbraw/zinc/64/07/93/181640793.db2.gz ATZGIGYGIUMTOM-HUUCEWRRSA-N -1 0 305.374 3.305 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccs1 ZINC000013389894 181847951 /nfs/dbraw/zinc/84/79/51/181847951.db2.gz PCZKPLJIFRLNGH-CYBMUJFWSA-N -1 0 321.373 3.152 50 0 DGAARM CSc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000015833065 182019887 /nfs/dbraw/zinc/01/98/87/182019887.db2.gz QGHXZPXDUDIEFD-UHFFFAOYSA-N -1 0 324.412 3.229 50 0 DGAARM CCc1c(C)sc2[n-]c(=S)n(Cc3cccnc3)c(=O)c12 ZINC000017054409 182071930 /nfs/dbraw/zinc/07/19/30/182071930.db2.gz BWHPBMPBBARUOZ-UHFFFAOYSA-N -1 0 317.439 3.435 50 0 DGAARM Cc1sc2[n-]c(=S)n(CCCn3ccnc3)c(=O)c2c1C ZINC000017055425 182072919 /nfs/dbraw/zinc/07/29/19/182072919.db2.gz YEEYCEMLVDFVKF-UHFFFAOYSA-N -1 0 320.443 3.024 50 0 DGAARM O=C([O-])[C@H]1CCCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000041058322 304177025 /nfs/dbraw/zinc/17/70/25/304177025.db2.gz PGVISGUYTCNPQB-GNFNDJEDSA-N -1 0 305.418 3.059 50 0 DGAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Cc3ccccc3)s2)N1 ZINC000020606355 182238033 /nfs/dbraw/zinc/23/80/33/182238033.db2.gz FMYDWHZSFCIYSK-GXTWGEPZSA-N -1 0 305.424 3.127 50 0 DGAARM CCCc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000021524154 182278227 /nfs/dbraw/zinc/27/82/27/182278227.db2.gz MFMCAKGXEKMYAH-UHFFFAOYSA-N -1 0 320.399 3.459 50 0 DGAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000024183216 182376452 /nfs/dbraw/zinc/37/64/52/182376452.db2.gz OCZPQIDMJJFXHJ-SECBINFHSA-N -1 0 307.699 3.460 50 0 DGAARM CN(Cc1ccc(F)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000023990307 182371614 /nfs/dbraw/zinc/37/16/14/182371614.db2.gz YUJLBARCUSVHKL-UHFFFAOYSA-N -1 0 303.362 3.168 50 0 DGAARM C[C@](NC(=O)Nc1cc(Cl)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000036750223 182840026 /nfs/dbraw/zinc/84/00/26/182840026.db2.gz JTGQOMRKHAHSBY-CYBMUJFWSA-N -1 0 317.172 3.368 50 0 DGAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1cccs1 ZINC000037420037 182891759 /nfs/dbraw/zinc/89/17/59/182891759.db2.gz JTZHVPTXUKFTJH-UHFFFAOYSA-N -1 0 307.396 3.486 50 0 DGAARM CN(C)c1nc(Nc2cccc(C(=O)[O-])c2)nc2ccccc21 ZINC000041146979 183177247 /nfs/dbraw/zinc/17/72/47/183177247.db2.gz SOYVVMLDWZGPTL-UHFFFAOYSA-N -1 0 308.341 3.138 50 0 DGAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cnn21 ZINC000020605624 304219139 /nfs/dbraw/zinc/21/91/39/304219139.db2.gz XKPMEOORCAJLRQ-UHFFFAOYSA-N -1 0 308.124 3.401 50 0 DGAARM O=C([O-])c1ccc2[nH]c(-c3cccc(-n4cccn4)c3)nc2c1 ZINC000055393346 183984743 /nfs/dbraw/zinc/98/47/43/183984743.db2.gz YQIGUVKODWOAKU-UHFFFAOYSA-N -1 0 304.309 3.114 50 0 DGAARM CCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063810093 184289056 /nfs/dbraw/zinc/28/90/56/184289056.db2.gz ZZZKPBFZAJAWRS-SECBINFHSA-N -1 0 305.403 3.259 50 0 DGAARM O=C([O-])c1ccc(C2CCN(C(=O)NC3CCCC3)CC2)cc1 ZINC000032918979 304239727 /nfs/dbraw/zinc/23/97/27/304239727.db2.gz BDWKCYFVGDLGJY-UHFFFAOYSA-N -1 0 316.401 3.216 50 0 DGAARM O=C([O-])c1cccc(N2C(=O)c3cc4ccccc4cc3C2=O)c1 ZINC000000566089 304261063 /nfs/dbraw/zinc/26/10/63/304261063.db2.gz LLBUHZNPVBXMON-UHFFFAOYSA-N -1 0 317.300 3.339 50 0 DGAARM C[C@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC000000084873 299581114 /nfs/dbraw/zinc/58/11/14/299581114.db2.gz FXFLKQRNKXZSGQ-YUMQZZPRSA-N -1 0 308.428 3.381 50 0 DGAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccccc1 ZINC000101174491 285208739 /nfs/dbraw/zinc/20/87/39/285208739.db2.gz AGCKNODRNXZBRE-UHFFFAOYSA-N -1 0 302.786 3.387 50 0 DGAARM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(Cl)o1 ZINC000037584837 304265773 /nfs/dbraw/zinc/26/57/73/304265773.db2.gz CWTZRUYWHPJWBA-UHFFFAOYSA-N -1 0 305.717 3.224 50 0 DGAARM Cc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1C ZINC000135790233 256586674 /nfs/dbraw/zinc/58/66/74/256586674.db2.gz IRIHTAJVRMALAZ-UHFFFAOYSA-N -1 0 307.353 3.447 50 0 DGAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000035571173 257130015 /nfs/dbraw/zinc/13/00/15/257130015.db2.gz KHCTXOGRWQLHBK-KBPBESRZSA-N -1 0 305.374 3.112 50 0 DGAARM CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000007053776 257218655 /nfs/dbraw/zinc/21/86/55/257218655.db2.gz JUUGVYJLNZOXRP-UHFFFAOYSA-N -1 0 319.382 3.138 50 0 DGAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1Cc1ccccn1 ZINC000101167558 257242211 /nfs/dbraw/zinc/24/22/11/257242211.db2.gz JLDTWFLHZWCMTN-UHFFFAOYSA-N -1 0 309.350 3.249 50 0 DGAARM CCC[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1ccccc1Cl ZINC000136075265 257242408 /nfs/dbraw/zinc/24/24/08/257242408.db2.gz CYXMDFZSOLQSNL-LBPRGKRZSA-N -1 0 312.797 3.125 50 0 DGAARM O=c1c2c([nH]c3n[n-]c(=S)n31)-c1ccccc1CC21CCCC1 ZINC000104183580 285380436 /nfs/dbraw/zinc/38/04/36/285380436.db2.gz OWMNBJZXJUXSCC-UHFFFAOYSA-N -1 0 324.409 3.154 50 0 DGAARM CC/C(=C/C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000097228511 400283671 /nfs/dbraw/zinc/28/36/71/400283671.db2.gz NASILOWKIYXTMH-OWBHPGMISA-N -1 0 301.386 3.112 50 0 DGAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000032971378 400377021 /nfs/dbraw/zinc/37/70/21/400377021.db2.gz HHDATYAAEAWXON-UHFFFAOYSA-N -1 0 318.354 3.352 50 0 DGAARM O=c1nc(-c2cc(-c3ccccc3C(F)(F)F)ccn2)[n-]o1 ZINC000117576431 400420235 /nfs/dbraw/zinc/42/02/35/400420235.db2.gz NXTVRTINFXBFDP-UHFFFAOYSA-N -1 0 307.231 3.111 50 0 DGAARM CC1(C)C[C@@]2(C(=O)[O-])C[C@](C)(CC3=C2C(=O)[C@H](O)C(C)(C)C3)C1 ZINC000075280297 400569225 /nfs/dbraw/zinc/56/92/25/400569225.db2.gz YVDHDEZKQARGES-GDIGMMSISA-N -1 0 320.429 3.334 50 0 DGAARM COc1ccccc1-n1[n-]c(=O)cc1-c1ccc(Cl)cc1 ZINC000145184884 400645024 /nfs/dbraw/zinc/64/50/24/400645024.db2.gz IDNLSWSVEFEKMN-UHFFFAOYSA-N -1 0 300.745 3.495 50 0 DGAARM C[C@H](C#N)Oc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000170621140 400767415 /nfs/dbraw/zinc/76/74/15/400767415.db2.gz BBVMOUUKDMJDRX-WNPFHQFXSA-N -1 0 319.320 3.113 50 0 DGAARM Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000630193174 401214029 /nfs/dbraw/zinc/21/40/29/401214029.db2.gz ZBNICDUKWXGFKI-ZDUSSCGKSA-N -1 0 321.373 3.368 50 0 DGAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1 ZINC000136466790 432156586 /nfs/dbraw/zinc/15/65/86/432156586.db2.gz AEWRHKFOQKZUHB-MRXNPFEDSA-N -1 0 317.385 3.087 50 0 DGAARM O=C([O-])[C@@H]1CCCN1Cc1ccc(Cl)cc1Br ZINC000132978319 196301559 /nfs/dbraw/zinc/30/15/59/196301559.db2.gz FMSOBBFATUBYFJ-NSHDSACASA-N -1 0 318.598 3.152 50 0 DGAARM CC(=O)Nc1ccc(C)c(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC000000048057 277071806 /nfs/dbraw/zinc/07/18/06/277071806.db2.gz SBKUGFAZZKLEJF-UHFFFAOYSA-N -1 0 315.213 3.266 50 0 DGAARM CC(/C=C/c1ccc(I)cc1)=C/C(=O)[O-] ZINC000004772763 277928190 /nfs/dbraw/zinc/92/81/90/277928190.db2.gz UHNBRYDJWLCHLB-BVCYWKNDSA-N -1 0 314.122 3.335 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)[O-])cc2)CC1 ZINC000004287350 278382621 /nfs/dbraw/zinc/38/26/21/278382621.db2.gz LUVXDMFUUZGFST-UHFFFAOYSA-N -1 0 321.373 3.163 50 0 DGAARM CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)[O-])cc2)CC1 ZINC000002577346 278382915 /nfs/dbraw/zinc/38/29/15/278382915.db2.gz YCNVQGGUCDVTIZ-UHFFFAOYSA-N -1 0 305.374 3.499 50 0 DGAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H](C(=O)[O-])C1 ZINC000000069676 431119919 /nfs/dbraw/zinc/11/99/19/431119919.db2.gz FBPUHIZUSSEOAN-RYUDHWBXSA-N -1 0 309.312 3.351 50 0 DGAARM Cc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000000105125 431126558 /nfs/dbraw/zinc/12/65/58/431126558.db2.gz AATJFFJZXDUIAL-IRXDYDNUSA-N -1 0 306.365 3.165 50 0 biogenic DGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cccc(Cl)c1 ZINC000068300363 431123477 /nfs/dbraw/zinc/12/34/77/431123477.db2.gz SPJOIAZXPUFJKS-UHFFFAOYSA-N -1 0 303.170 3.189 50 0 DGAARM CCOC(=O)c1c(N)sc2c1ccc(Br)c2[O-] ZINC000000103065 431124841 /nfs/dbraw/zinc/12/48/41/431124841.db2.gz CEQMZQRHTXAKGF-UHFFFAOYSA-N -1 0 316.176 3.128 50 0 DGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000102668 431125103 /nfs/dbraw/zinc/12/51/03/431125103.db2.gz NQOYVAXPEVVLOH-UHFFFAOYSA-N -1 0 311.790 3.458 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000000112707 431129112 /nfs/dbraw/zinc/12/91/12/431129112.db2.gz HNPARGJXPNLTOF-AWEZNQCLSA-N -1 0 321.735 3.425 50 0 DGAARM O=C([O-])C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000000130466 431131828 /nfs/dbraw/zinc/13/18/28/431131828.db2.gz UWRNIIGVRNGFGP-UHFFFAOYSA-N -1 0 323.801 3.492 50 0 DGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000000402086 431175792 /nfs/dbraw/zinc/17/57/92/431175792.db2.gz VHZZJLSPECJSKI-NEPJUHHUSA-N -1 0 324.174 3.055 50 0 DGAARM COc1cc(CCC(=O)[O-])cc(OCc2ccccc2)c1OC ZINC000000393125 431176670 /nfs/dbraw/zinc/17/66/70/431176670.db2.gz LPBCEPCPEBQEIW-UHFFFAOYSA-N -1 0 316.353 3.300 50 0 DGAARM CC(C)(C)c1ccc(OCc2nnc(SCC(=O)[O-])o2)cc1 ZINC000000418615 431178186 /nfs/dbraw/zinc/17/81/86/431178186.db2.gz OQOWVOCPLDIECB-UHFFFAOYSA-N -1 0 322.386 3.123 50 0 DGAARM CC(C)(C)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000000480632 431191652 /nfs/dbraw/zinc/19/16/52/431191652.db2.gz JFCLCSBCQJZMGL-UHFFFAOYSA-N -1 0 323.348 3.483 50 0 DGAARM CC(C)C[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000250170 431153723 /nfs/dbraw/zinc/15/37/23/431153723.db2.gz YWVCOSWLUPQJFC-NSHDSACASA-N -1 0 319.430 3.481 50 0 DGAARM COc1cccc(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000000248816 431154203 /nfs/dbraw/zinc/15/42/03/431154203.db2.gz IYQLXOUZIFZTSH-UHFFFAOYSA-N -1 0 315.275 3.458 50 0 DGAARM CC(C)(C)OC(=O)N[C@H](Cc1csc2ccccc12)C(=O)[O-] ZINC000002568082 431257534 /nfs/dbraw/zinc/25/75/34/431257534.db2.gz MURVSBJYXHTRJQ-GFCCVEGCSA-N -1 0 321.398 3.422 50 0 DGAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1C ZINC000000617151 431208402 /nfs/dbraw/zinc/20/84/02/431208402.db2.gz XTHVJGWLWOUQFR-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)-c1ccccc1CC3 ZINC000001310243 431220587 /nfs/dbraw/zinc/22/05/87/431220587.db2.gz HIWINDCWZAEIFH-UHFFFAOYSA-N -1 0 300.408 3.423 50 0 DGAARM COc1ccc(C(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000001470018 431228525 /nfs/dbraw/zinc/22/85/25/431228525.db2.gz WXYGNQDOXSRZGA-UHFFFAOYSA-N -1 0 302.351 3.368 50 0 DGAARM CCCC[C@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000002374322 431251306 /nfs/dbraw/zinc/25/13/06/431251306.db2.gz CKUKJMNWXKDDRG-GFCCVEGCSA-N -1 0 321.373 3.083 50 0 DGAARM CC(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1 ZINC000002384386 431251546 /nfs/dbraw/zinc/25/15/46/431251546.db2.gz USXCOSPARFHTLV-NSHDSACASA-N -1 0 303.280 3.004 50 0 DGAARM CCCC[C@@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000002374320 431251963 /nfs/dbraw/zinc/25/19/63/431251963.db2.gz CKUKJMNWXKDDRG-LBPRGKRZSA-N -1 0 321.373 3.083 50 0 DGAARM CCCCCCOC(=O)c1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000002496058 431253555 /nfs/dbraw/zinc/25/35/55/431253555.db2.gz JMEULZSEFYXSMX-ZHACJKMWSA-N -1 0 319.357 3.003 50 0 DGAARM O=C([O-])[C@H]1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000002499707 431254049 /nfs/dbraw/zinc/25/40/49/431254049.db2.gz CLZYGVBASLYBCE-CABCVRRESA-N -1 0 301.367 3.267 50 0 DGAARM CCCC(=O)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000003219045 431285859 /nfs/dbraw/zinc/28/58/59/431285859.db2.gz YJDQNDWHIICKBC-UHFFFAOYSA-N -1 0 319.382 3.193 50 0 DGAARM COc1ccc(-c2cc(=O)c(C(=O)c3ccc(C)cc3)n[n-]2)cc1 ZINC000004625704 431299680 /nfs/dbraw/zinc/29/96/80/431299680.db2.gz ZVZZHSVRIHYPBD-UHFFFAOYSA-N -1 0 320.348 3.397 50 0 DGAARM COc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000002881373 431275400 /nfs/dbraw/zinc/27/54/00/431275400.db2.gz KRTHYUOCDKWNLI-UHFFFAOYSA-N -1 0 319.744 3.228 50 0 DGAARM O=C(Nc1nncs1)c1cc(Cc2ccccc2)ccc1O ZINC000072067430 431329060 /nfs/dbraw/zinc/32/90/60/431329060.db2.gz MZIIJBWSRUNXKH-UHFFFAOYSA-N -1 0 311.366 3.087 50 0 DGAARM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000008906769 431414374 /nfs/dbraw/zinc/41/43/74/431414374.db2.gz CVUNOTZTCQTZMV-ZDUSSCGKSA-N -1 0 313.353 3.408 50 0 DGAARM CC(C)Oc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000010715457 431467397 /nfs/dbraw/zinc/46/73/97/431467397.db2.gz ZMQMOMLVQJFICQ-HUUCEWRRSA-N -1 0 305.374 3.303 50 0 DGAARM C[C@H]1CCc2sc(C(=O)NCCCCCC(=O)[O-])cc2C1 ZINC000012794413 431528006 /nfs/dbraw/zinc/52/80/06/431528006.db2.gz OZAAWOBLDYNPER-NSHDSACASA-N -1 0 309.431 3.248 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000013223927 431548769 /nfs/dbraw/zinc/54/87/69/431548769.db2.gz DSKQIPNMPIMDTJ-ZDUSSCGKSA-N -1 0 321.735 3.425 50 0 DGAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1C ZINC000013320348 431551706 /nfs/dbraw/zinc/55/17/06/431551706.db2.gz MJSKIYANFCWTMW-IMJJTQAJSA-N -1 0 301.386 3.148 50 0 DGAARM CCCCCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000013257422 431552297 /nfs/dbraw/zinc/55/22/97/431552297.db2.gz HJBDQFRIPGMUFV-UHFFFAOYSA-N -1 0 303.402 3.212 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000013427824 431554156 /nfs/dbraw/zinc/55/41/56/431554156.db2.gz MXNJJBNUQMQOQT-MRXNPFEDSA-N -1 0 315.344 3.091 50 0 DGAARM O=C([O-])C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccs1 ZINC000013388126 431555164 /nfs/dbraw/zinc/55/51/64/431555164.db2.gz QUYGEMJZTPFUSK-GFCCVEGCSA-N -1 0 323.801 3.276 50 0 DGAARM CCOc1cc(Br)c(/C=C/C(=O)[O-])cc1OCC ZINC000013747604 431570515 /nfs/dbraw/zinc/57/05/15/431570515.db2.gz ZVWUODZHGDHPNZ-AATRIKPKSA-N -1 0 315.163 3.344 50 0 DGAARM CCOC(=O)c1c(SCC)[n-]c2cc(F)c(F)cc2c1=O ZINC000021298159 431629215 /nfs/dbraw/zinc/62/92/15/431629215.db2.gz YKHPMXCEZRZUGN-UHFFFAOYSA-N -1 0 313.325 3.095 50 0 DGAARM O=C([O-])CS[C@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000027825262 431694404 /nfs/dbraw/zinc/69/44/04/431694404.db2.gz HIEMZBQGQHGDIY-OAHLLOKOSA-N -1 0 300.379 3.298 50 0 DGAARM COCCCn1c(C)c(C(=O)[O-])cc1-c1ccc(OC)cc1 ZINC000032920082 431802640 /nfs/dbraw/zinc/80/26/40/431802640.db2.gz DMNKUORASIRBQR-UHFFFAOYSA-N -1 0 303.358 3.207 50 0 DGAARM O=C([O-])CCCNC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000033519370 431815304 /nfs/dbraw/zinc/81/53/04/431815304.db2.gz UGOIOYBZEKJVJU-UHFFFAOYSA-N -1 0 324.789 3.058 50 0 DGAARM O=C([O-])C1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000037561256 431847327 /nfs/dbraw/zinc/84/73/27/431847327.db2.gz ZABSXDOTOJXEIV-UHFFFAOYSA-N -1 0 316.184 3.367 50 0 DGAARM O=C([O-])CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000037729324 431849635 /nfs/dbraw/zinc/84/96/35/431849635.db2.gz FEPZCFXCIXMZHY-UHFFFAOYSA-N -1 0 301.129 3.451 50 0 DGAARM Cc1ncsc1CCN(C)[C@H](C(=O)[O-])c1ccc(C)cc1F ZINC000095364604 431923275 /nfs/dbraw/zinc/92/32/75/431923275.db2.gz WXPQCHDROZZRAP-HNNXBMFYSA-N -1 0 322.405 3.199 50 0 DGAARM O=C([O-])c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1 ZINC000044901846 431878909 /nfs/dbraw/zinc/87/89/09/431878909.db2.gz MXZVKGHBOSGEAX-UHFFFAOYSA-N -1 0 305.696 3.154 50 0 DGAARM CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCC2 ZINC000045951707 431892032 /nfs/dbraw/zinc/89/20/32/431892032.db2.gz KUMXRUUTBNJLKU-IUODEOHRSA-N -1 0 301.386 3.422 50 0 DGAARM C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000047085600 431905559 /nfs/dbraw/zinc/90/55/59/431905559.db2.gz JNGPJOJEKFKTBX-GXSJLCMTSA-N -1 0 317.414 3.306 50 0 DGAARM CC1(C)CCC(C)(C)c2cc(C(=O)NCCC(=O)[O-])ccc21 ZINC000236629477 280921925 /nfs/dbraw/zinc/92/19/25/280921925.db2.gz NDVWIFBYLJCJPL-UHFFFAOYSA-N -1 0 303.402 3.240 50 0 DGAARM O=C([O-])C[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000095959431 431928213 /nfs/dbraw/zinc/92/82/13/431928213.db2.gz PGCVGOSQMWNAHM-KRWDZBQOSA-N -1 0 320.348 3.181 50 0 DGAARM O=C([O-])[C@@H](CNC(=O)c1ccoc1)Cc1ccc2ccccc2c1 ZINC000095970703 431930225 /nfs/dbraw/zinc/93/02/25/431930225.db2.gz NOXISGMEDBSNHV-QGZVFWFLSA-N -1 0 323.348 3.106 50 0 DGAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000050290299 431947247 /nfs/dbraw/zinc/94/72/47/431947247.db2.gz BYZWZXZGSOSVKJ-ZETCQYMHSA-N -1 0 302.157 3.035 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)s1 ZINC000050921876 431949146 /nfs/dbraw/zinc/94/91/46/431949146.db2.gz ONFVHMIEBDVROP-VIFPVBQESA-N -1 0 301.795 3.261 50 0 DGAARM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000096480301 431953307 /nfs/dbraw/zinc/95/33/07/431953307.db2.gz DKQFLUZKJFOGRU-SUMWQHHRSA-N -1 0 315.369 3.099 50 0 DGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc2cc[nH]c21 ZINC000097036531 431956954 /nfs/dbraw/zinc/95/69/54/431956954.db2.gz RKBHELFQZGGJMW-INIZCTEOSA-N -1 0 322.364 3.422 50 0 DGAARM COc1ccccc1Cn1c(=O)c2sccc2[n-]c1=S ZINC000100020575 431980516 /nfs/dbraw/zinc/98/05/16/431980516.db2.gz UJZXMADSFAVOAI-UHFFFAOYSA-N -1 0 304.396 3.177 50 0 DGAARM O=c1c2ccccc2[n-]c(=S)n1CCCOC1CCCC1 ZINC000057771439 431993702 /nfs/dbraw/zinc/99/37/02/431993702.db2.gz JRFYSVUSTJOOPZ-UHFFFAOYSA-N -1 0 304.415 3.408 50 0 DGAARM O=C(Nc1ccc(Cl)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000102727664 431996870 /nfs/dbraw/zinc/99/68/70/431996870.db2.gz FHXWPIFQZPZUHG-BUHFOSPRSA-N -1 0 314.728 3.200 50 0 DGAARM CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-] ZINC000000125515 281464833 /nfs/dbraw/zinc/46/48/33/281464833.db2.gz HAUCCCPJLQSBIQ-UGSOOPFHSA-N -1 0 301.386 3.103 50 0 biogenic DGAARM O=C([O-])c1ccc(CNC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000261661798 432439444 /nfs/dbraw/zinc/43/94/44/432439444.db2.gz KRBIDNXXMFYPBA-KRWDZBQOSA-N -1 0 324.380 3.084 50 0 DGAARM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(C(=O)[O-])co1 ZINC000262809471 432504371 /nfs/dbraw/zinc/50/43/71/432504371.db2.gz PAMFJRPVOOTGCO-ZJUUUORDSA-N -1 0 317.316 3.265 50 0 DGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cccc(Cl)c1 ZINC000261962811 432466164 /nfs/dbraw/zinc/46/61/64/432466164.db2.gz OZSOMZYGKHDIKW-YUELXQCFSA-N -1 0 321.804 3.127 50 0 DGAARM C[C@H](Cc1ccc(NC(=O)c2cc(C3CC3)no2)cc1)C(=O)[O-] ZINC000263530479 432553946 /nfs/dbraw/zinc/55/39/46/432553946.db2.gz MDOQWZCIJVIHNL-SNVBAGLBSA-N -1 0 314.341 3.068 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000263577053 432558938 /nfs/dbraw/zinc/55/89/38/432558938.db2.gz RCAAPVVRZNSNIJ-UHFFFAOYSA-N -1 0 315.394 3.466 50 0 DGAARM O=C([O-])/C=C/c1ccc(Br)c(F)c1Br ZINC000263625038 432560572 /nfs/dbraw/zinc/56/05/72/432560572.db2.gz WFJIDTUANNBQKN-DUXPYHPUSA-N -1 0 323.943 3.449 50 0 DGAARM O=C([O-])/C=C/c1cc(Br)cc(F)c1Br ZINC000263625109 432561344 /nfs/dbraw/zinc/56/13/44/432561344.db2.gz WVPJSOBVQPIWFV-OWOJBTEDSA-N -1 0 323.943 3.449 50 0 DGAARM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc2[nH]ccc2c1 ZINC000263176808 432524703 /nfs/dbraw/zinc/52/47/03/432524703.db2.gz GPJDAEFNXKAGEH-OLZOCXBDSA-N -1 0 300.358 3.022 50 0 DGAARM O=C(c1ccc2ccccc2c1O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000225509945 432692752 /nfs/dbraw/zinc/69/27/52/432692752.db2.gz SGLSNUDFAISXNJ-IRXDYDNUSA-N -1 0 311.381 3.329 50 0 DGAARM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\c1ccc(Cl)s1 ZINC000222162614 432671774 /nfs/dbraw/zinc/67/17/74/432671774.db2.gz HGRNRTKHNZWLOQ-XQRVVYSFSA-N -1 0 315.822 3.374 50 0 DGAARM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000225458459 432691141 /nfs/dbraw/zinc/69/11/41/432691141.db2.gz BIBUMGUISLAIQB-SNVBAGLBSA-N -1 0 318.398 3.291 50 0 DGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cn1 ZINC000237979512 432806560 /nfs/dbraw/zinc/80/65/60/432806560.db2.gz KHCRRZQEOJWLSB-INIZCTEOSA-N -1 0 324.380 3.017 50 0 DGAARM O=C([O-])c1ccc(CCC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000238063604 432810490 /nfs/dbraw/zinc/81/04/90/432810490.db2.gz UNQWKBGUEOOXLO-GOSISDBHSA-N -1 0 323.392 3.334 50 0 DGAARM COc1ccc(-n2nc(C3CC3)c3c2nc(C)cc3C(=O)[O-])cc1 ZINC000012396091 295051909 /nfs/dbraw/zinc/05/19/09/295051909.db2.gz UFBPVVONXLXSKV-UHFFFAOYSA-N -1 0 323.352 3.313 50 0 DGAARM COc1ccc(C)cc1[C@H](C(=O)[O-])N(C)Cc1csc(C)n1 ZINC000095361676 295108712 /nfs/dbraw/zinc/10/87/12/295108712.db2.gz OLMPGERSJWIDPF-OAHLLOKOSA-N -1 0 320.414 3.026 50 0 DGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000000621433 295178053 /nfs/dbraw/zinc/17/80/53/295178053.db2.gz SJYOLUKNLUIPPC-UHFFFAOYSA-N -1 0 321.398 3.121 50 0 DGAARM O=C([O-])c1cccnc1N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000647454235 436055404 /nfs/dbraw/zinc/05/54/04/436055404.db2.gz IGBKJOQRMXRSJB-NSHDSACASA-N -1 0 314.307 3.339 50 0 DGAARM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)o1 ZINC000013173096 301530299 /nfs/dbraw/zinc/53/02/99/301530299.db2.gz DKPKFWXQLUKGDV-GFCCVEGCSA-N -1 0 307.733 3.187 50 0 DGAARM Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004019094 301600488 /nfs/dbraw/zinc/60/04/88/301600488.db2.gz OVDMYHCDGWWYAV-QOBDMFJFSA-N -1 0 305.761 3.110 50 0 DGAARM Cc1cccc2sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])nc21 ZINC000012998450 302074185 /nfs/dbraw/zinc/07/41/85/302074185.db2.gz OBONINOXVBAURS-QWRGUYRKSA-N -1 0 318.398 3.434 50 0 DGAARM Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012394526 302725970 /nfs/dbraw/zinc/72/59/70/302725970.db2.gz HQTRSWDQCNGXHO-UHFFFAOYSA-N -1 0 311.316 3.444 50 0 DGAARM O=c1c2c(nc3c(-c4cccc5ccccc54)c[n-]n31)CCC2 ZINC000018067031 304815849 /nfs/dbraw/zinc/81/58/49/304815849.db2.gz GAHGQJLKIFZLIO-UHFFFAOYSA-N -1 0 301.349 3.332 50 0 DGAARM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2[nH]1 ZINC000008739952 304816664 /nfs/dbraw/zinc/81/66/64/304816664.db2.gz YQBKGTYPUDRGSK-UHFFFAOYSA-N -1 0 310.744 3.362 50 0 DGAARM Cc1cscc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000097235327 323210304 /nfs/dbraw/zinc/21/03/04/323210304.db2.gz LKARWGZQICIMCC-QMMMGPOBSA-N -1 0 310.400 3.011 50 0 DGAARM O=C([O-])[C@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 ZINC000097228604 323210440 /nfs/dbraw/zinc/21/04/40/323210440.db2.gz CUGCBAHCZBBMFC-ZDUSSCGKSA-N -1 0 317.772 3.013 50 0 DGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc2ccsc2c1 ZINC000581703629 324146829 /nfs/dbraw/zinc/14/68/29/324146829.db2.gz ZZEQXELMNIQNGX-GFCCVEGCSA-N -1 0 318.398 3.156 50 0 DGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 ZINC000215985404 333116587 /nfs/dbraw/zinc/11/65/87/333116587.db2.gz GHFCWRYFUPZRJA-LBPRGKRZSA-N -1 0 303.349 3.058 50 0 DGAARM O=C([O-])c1ccc2c(c1)C[C@H](COCc1ccc(F)cc1)O2 ZINC000498051080 333300930 /nfs/dbraw/zinc/30/09/30/333300930.db2.gz LHECRXMDTSKTDZ-OAHLLOKOSA-N -1 0 302.301 3.044 50 0 DGAARM CCO[C@H](C)c1ccc(-c2c(C)nn(CC(=O)[O-])c2C)cc1 ZINC000534584921 334291614 /nfs/dbraw/zinc/29/16/14/334291614.db2.gz YLAXSIVSWYZKOS-CYBMUJFWSA-N -1 0 302.374 3.349 50 0 DGAARM Cc1onc(-c2cc(F)cc(Br)c2)c1C(=O)[O-] ZINC000308364015 546450350 /nfs/dbraw/zinc/45/03/50/546450350.db2.gz KFCWQAHVINWLKH-UHFFFAOYSA-N -1 0 300.083 3.250 50 0 DGAARM Cc1ccccc1CN(C(=O)N[C@@H](C)C(=O)[O-])C1CCCCC1 ZINC000670454610 547757117 /nfs/dbraw/zinc/75/71/17/547757117.db2.gz NKJXZOPADPNDGQ-AWEZNQCLSA-N -1 0 318.417 3.312 50 0 DGAARM CCc1onc(-c2cscc2Br)c1C(=O)[O-] ZINC000675057512 548148884 /nfs/dbraw/zinc/14/88/84/548148884.db2.gz HSNLPEGCOCHYOF-UHFFFAOYSA-N -1 0 302.149 3.426 50 0 DGAARM O=C([O-])[C@H]1CN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000177480166 600226942 /nfs/dbraw/zinc/22/69/42/600226942.db2.gz QFZZTTFNVNTGAK-AWEZNQCLSA-N -1 0 315.394 3.286 50 0 DGAARM C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097045125 657590019 /nfs/dbraw/zinc/59/00/19/657590019.db2.gz VCAFGNQLNIPQIT-BMOGTNHUSA-N -1 0 319.376 3.332 50 0 DGAARM CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2C(=O)[O-])cc1 ZINC000254305047 658073437 /nfs/dbraw/zinc/07/34/37/658073437.db2.gz JCPONSSOBNHYEX-UHFFFAOYSA-N -1 0 324.380 3.446 50 0 DGAARM COc1ccc2c(c1)occ(Oc1ccc(C(=O)[O-])cc1)c2=O ZINC000000293228 658365153 /nfs/dbraw/zinc/36/51/53/658365153.db2.gz RMJGWIHNTSBVTH-UHFFFAOYSA-N -1 0 312.277 3.292 50 0 DGAARM