smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)c1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1C ZINC000199392146 749269350 /nfs/dbraw/zinc/26/93/50/749269350.db2.gz YNWQXOZIRLXXIG-LLVKDONJSA-N -1 0 320.345 0.809 50 0 DCAARM CC(C)[C@@]1(C)NC(c2ncc(C(=O)NC3CC3)cc2[O-])=NC1=O ZINC000585121628 766286617 /nfs/dbraw/zinc/28/66/17/766286617.db2.gz UJPATKGXIRMDJG-MRXNPFEDSA-N -1 0 316.361 0.971 50 0 DCAARM CO[C@@H](C)CS(=O)(=O)[N-]c1nsnc1Br ZINC000585129064 766290853 /nfs/dbraw/zinc/29/08/53/766290853.db2.gz XAAHODIJUSLOCS-BYPYZUCNSA-N -1 0 316.202 1.077 50 0 DCAARM C[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)[O-] ZINC000071334661 190959696 /nfs/dbraw/zinc/95/96/96/190959696.db2.gz JFSJTKJIZRLUQW-SECBINFHSA-N -1 0 319.292 0.639 50 0 DCAARM C[C@](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)(C(=O)[O-])C1CC1 ZINC000237450336 186291216 /nfs/dbraw/zinc/29/12/16/186291216.db2.gz NPYYETXJWDKVHJ-QLJPJBMISA-N -1 0 320.345 0.998 50 0 DCAARM C[C@@H](C(=O)NCC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000237509383 186299436 /nfs/dbraw/zinc/29/94/36/186299436.db2.gz QQYMAJNUUWVTIC-NSHDSACASA-N -1 0 309.341 0.537 50 0 DCAARM Cc1nccn1C1(C(=O)[O-])CCN(S(=O)(=O)C2CC2)CC1 ZINC000072417852 191155718 /nfs/dbraw/zinc/15/57/18/191155718.db2.gz PRYQEJMGHZQJKV-UHFFFAOYSA-N -1 0 313.379 0.559 50 0 DCAARM Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])cc1C ZINC000002634447 180941695 /nfs/dbraw/zinc/94/16/95/180941695.db2.gz NMXOUNKQTBTTJA-LLVKDONJSA-N -1 0 314.363 0.300 50 0 DCAARM NC(=O)C1CCN(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000004046046 181067026 /nfs/dbraw/zinc/06/70/26/181067026.db2.gz TUHFIDPKFCDTJS-CYBMUJFWSA-N -1 0 319.361 0.589 50 0 biogenic DCAARM CCOc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000004188230 181082950 /nfs/dbraw/zinc/08/29/50/181082950.db2.gz ABJLXTGNYKZUFN-GHMZBOCLSA-N -1 0 317.301 0.076 50 0 DCAARM COC(=O)c1cc(Br)c(=O)n(CCC(=O)[O-])c1 ZINC000004406274 181107654 /nfs/dbraw/zinc/10/76/54/181107654.db2.gz YUMASFAGFQGPKE-UHFFFAOYSA-N -1 0 304.096 0.872 50 0 DCAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Br)c(F)c1 ZINC000075093064 191416504 /nfs/dbraw/zinc/41/65/04/191416504.db2.gz CIEBPJPKDKJUPX-UHFFFAOYSA-N -1 0 315.102 0.930 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000005053636 181197848 /nfs/dbraw/zinc/19/78/48/181197848.db2.gz XKHMORBPEMNJAJ-WPRPVWTQSA-N -1 0 320.236 0.210 50 0 DCAARM Cn1c(=O)c2cc(C(=O)c3ccccc3[O-])cnc2n(C)c1=O ZINC000005938246 181298352 /nfs/dbraw/zinc/29/83/52/181298352.db2.gz WQZXVKZLOVWYAU-UHFFFAOYSA-N -1 0 311.297 0.569 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000268950085 238254323 /nfs/dbraw/zinc/25/43/23/238254323.db2.gz PNCREGIOIQCXPY-GHMZBOCLSA-N -1 0 318.329 0.639 50 0 DCAARM CCCC(=O)OC[C@@H](O)[C@H]1OC(=O)C(OC(=O)CCC)=C1[O-] ZINC000199219092 201425209 /nfs/dbraw/zinc/42/52/09/201425209.db2.gz BFXWCTCPRAYDEB-PRHODGIISA-N -1 0 316.306 0.729 50 0 DCAARM CN(C)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000017087050 182074985 /nfs/dbraw/zinc/07/49/85/182074985.db2.gz LEHADNOAODUGMN-VIFPVBQESA-N -1 0 312.347 0.374 50 0 DCAARM O=C([O-])Cn1nc(-c2ccncc2)nc1Cn1ccccc1=O ZINC000097823160 193761003 /nfs/dbraw/zinc/76/10/03/193761003.db2.gz DOEBUWCAEYXUEV-UHFFFAOYSA-N -1 0 311.301 0.635 50 0 DCAARM COC(=O)c1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1 ZINC000100220396 193797102 /nfs/dbraw/zinc/79/71/02/193797102.db2.gz OIIKLBJRZWWEGA-UHFFFAOYSA-N -1 0 300.274 0.783 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299753741 304200001 /nfs/dbraw/zinc/20/00/01/304200001.db2.gz ZEIQJTFNTKLCDR-KOLCDFICSA-N -1 0 309.343 0.852 50 0 DCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000299745360 304206933 /nfs/dbraw/zinc/20/69/33/304206933.db2.gz YIIJYRJBMWXCKC-QWHCGFSZSA-N -1 0 323.370 0.459 50 0 DCAARM C[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)[O-] ZINC000044900562 183453208 /nfs/dbraw/zinc/45/32/08/183453208.db2.gz LTDZZHZNWVZEHS-JTQLQIEISA-N -1 0 301.302 0.500 50 0 DCAARM O=C([O-])c1csc(CCNC(=O)CCN2CCCCO2)n1 ZINC000055404335 183985344 /nfs/dbraw/zinc/98/53/44/183985344.db2.gz NLACQOHOOFTXCP-UHFFFAOYSA-N -1 0 313.379 0.918 50 0 DCAARM COC(=O)[C@@H](NC(=O)N1CCn2nc(C(=O)[O-])cc2C1)C(C)C ZINC000065492198 184354488 /nfs/dbraw/zinc/35/44/88/184354488.db2.gz ZESRMXBZTYYUBX-NSHDSACASA-N -1 0 324.337 0.304 50 0 DCAARM O=C([N-]S(=O)(=O)c1cccnc1)c1cccc2c1OCCO2 ZINC000065644115 184375969 /nfs/dbraw/zinc/37/59/69/184375969.db2.gz FAOHIMXGEYTDHV-UHFFFAOYSA-N -1 0 320.326 0.972 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CCO1 ZINC000345972869 253993405 /nfs/dbraw/zinc/99/34/05/253993405.db2.gz XEYKGUYZEKEUEV-CQSZACIVSA-N -1 0 320.345 0.449 50 0 DCAARM NS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000426593504 257246186 /nfs/dbraw/zinc/24/61/86/257246186.db2.gz AJIVJWVKLLVINC-SSDOTTSWSA-N -1 0 318.376 0.197 50 0 DCAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cnnn2)cc1O ZINC000426424172 257250258 /nfs/dbraw/zinc/25/02/58/257250258.db2.gz APQACAAVIRRFIZ-AWEZNQCLSA-N -1 0 317.305 0.447 50 0 DCAARM CSCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000426441716 257250604 /nfs/dbraw/zinc/25/06/04/257250604.db2.gz GGELMQJGTFUUFD-SNVBAGLBSA-N -1 0 321.358 0.859 50 0 DCAARM COc1cccc(CO[C@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268968895 533528944 /nfs/dbraw/zinc/52/89/44/533528944.db2.gz FIUUZPNOMUDCNN-BXUZGUMPSA-N -1 0 323.345 0.912 50 0 DCAARM CNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013077212 395688488 /nfs/dbraw/zinc/68/84/88/395688488.db2.gz AFZIGSKCHUDEPE-UHFFFAOYSA-N -1 0 300.336 0.060 50 0 DCAARM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000000167134 395679990 /nfs/dbraw/zinc/67/99/90/395679990.db2.gz IJQQDWZRROHWPL-UHFFFAOYSA-N -1 0 301.320 0.414 50 0 DCAARM CCOC(=O)N1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000000608639 395680565 /nfs/dbraw/zinc/68/05/65/395680565.db2.gz NKDQVIWRNQEBNL-RYUDHWBXSA-N -1 0 310.350 0.954 50 0 DCAARM CC(=O)Nc1ccc(NC(=O)c2nccnc2C(=O)[O-])cn1 ZINC000001033421 395680611 /nfs/dbraw/zinc/68/06/11/395680611.db2.gz MGKGSUSAYJINQR-UHFFFAOYSA-N -1 0 301.262 0.781 50 0 DCAARM CCCCn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000002027193 395681274 /nfs/dbraw/zinc/68/12/74/395681274.db2.gz OHMFAHMIYSFGPO-UHFFFAOYSA-N -1 0 312.351 0.400 50 0 DCAARM O=C([O-])C[C@@H](C(=O)OCCOc1ccccc1)N1CCOCC1 ZINC000002245321 395681394 /nfs/dbraw/zinc/68/13/94/395681394.db2.gz NUXGOEHWNHKBDV-AWEZNQCLSA-N -1 0 323.345 0.784 50 0 DCAARM CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCC(=O)[O-] ZINC000002328819 395681465 /nfs/dbraw/zinc/68/14/65/395681465.db2.gz YHNXRLDARZMOTJ-ONNFQVAWSA-N -1 0 306.274 0.093 50 0 DCAARM COC(=O)[C@@]([N-]S(C)(=O)=O)(c1cccn1C)C(F)(F)F ZINC000002469700 395681558 /nfs/dbraw/zinc/68/15/58/395681558.db2.gz KYIKNGAEVVFHGI-VIFPVBQESA-N -1 0 314.285 0.505 50 0 DCAARM CCOC(=O)C1CCN(C(=O)c2nn(C)cc2C(=O)[O-])CC1 ZINC000036615406 395723898 /nfs/dbraw/zinc/72/38/98/395723898.db2.gz YOPFEAYXHIQGNW-UHFFFAOYSA-N -1 0 309.322 0.534 50 0 DCAARM COCC[C@]1(CO)CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000091382066 395724838 /nfs/dbraw/zinc/72/48/38/395724838.db2.gz WGRKZPHVHVTIIJ-OAHLLOKOSA-N -1 0 312.366 0.950 50 0 DCAARM NS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1 ZINC000037302277 395726268 /nfs/dbraw/zinc/72/62/68/395726268.db2.gz UIPGOVRYBLKCDS-QMMMGPOBSA-N -1 0 300.336 0.623 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000096316600 395752413 /nfs/dbraw/zinc/75/24/13/395752413.db2.gz MDDAPCSZKDCYDM-NEPJUHHUSA-N -1 0 315.329 0.684 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100057524 395762455 /nfs/dbraw/zinc/76/24/55/395762455.db2.gz MHFNJSXACBOZDX-RYUDHWBXSA-N -1 0 315.329 0.684 50 0 DCAARM COc1cccc(-c2ccc(=O)n(CC(=O)NCC(=O)[O-])n2)c1 ZINC000049546115 395832622 /nfs/dbraw/zinc/83/26/22/395832622.db2.gz MVUFDEFRCVEALM-UHFFFAOYSA-N -1 0 317.301 0.120 50 0 DCAARM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3nnc[nH]3)cc2o1 ZINC000225448210 395859995 /nfs/dbraw/zinc/85/99/95/395859995.db2.gz JCOWPRZEMXTZSA-UHFFFAOYSA-N -1 0 315.698 0.693 50 0 DCAARM CC(C)Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)nc(N)n1 ZINC000221157220 395849434 /nfs/dbraw/zinc/84/94/34/395849434.db2.gz IHXJKTYPCTWAFD-UHFFFAOYSA-N -1 0 322.365 0.621 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cnc2c(c1)CCC2 ZINC000223658691 395855757 /nfs/dbraw/zinc/85/57/57/395855757.db2.gz AJVXDZTTXYJNOH-KGLIPLIRSA-N -1 0 320.345 0.559 50 0 DCAARM CN(Cc1cc(Cl)ccc1OCC(=O)[O-])[C@H]1COC[C@@H]1O ZINC000243892985 395924755 /nfs/dbraw/zinc/92/47/55/395924755.db2.gz ANEFJWMDUFHVCI-RYUDHWBXSA-N -1 0 315.753 0.995 50 0 DCAARM C/C(=C/C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccncc1 ZINC000158156735 396064437 /nfs/dbraw/zinc/06/44/37/396064437.db2.gz TWFQVBMMAISEAZ-NXIHDVOMSA-N -1 0 310.375 0.967 50 0 DCAARM CCn1nc(C)c(CN2CCN(CC(=O)[O-])C(=O)[C@H]2C)c1C ZINC000252499381 396021947 /nfs/dbraw/zinc/02/19/47/396021947.db2.gz RZTLSCLIINDYMX-GFCCVEGCSA-N -1 0 308.382 0.637 50 0 DCAARM O=C([O-])CCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000262267849 396116874 /nfs/dbraw/zinc/11/68/74/396116874.db2.gz UHKSOBCZPTUXBJ-UHFFFAOYSA-N -1 0 305.290 0.083 50 0 DCAARM CN(CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)S(C)(=O)=O ZINC000262310469 396122357 /nfs/dbraw/zinc/12/23/57/396122357.db2.gz BKJBRJYTNRTWRN-VWYCJHECSA-N -1 0 318.395 0.122 50 0 DCAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(C)=O)cc1 ZINC000069525038 396082069 /nfs/dbraw/zinc/08/20/69/396082069.db2.gz YYBJSMWRLGBNMV-VIFPVBQESA-N -1 0 314.363 0.415 50 0 DCAARM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000263211153 396206260 /nfs/dbraw/zinc/20/62/60/396206260.db2.gz ZBQWSLQIYDTQIW-SNVBAGLBSA-N -1 0 305.334 0.155 50 0 DCAARM CCC(=O)Nc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262949483 396193918 /nfs/dbraw/zinc/19/39/18/396193918.db2.gz INJLEJMPIFIYTN-GFCCVEGCSA-N -1 0 306.318 0.961 50 0 DCAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000263287824 396212093 /nfs/dbraw/zinc/21/20/93/396212093.db2.gz YGNOZKWULSTJEH-JHJVBQTASA-N -1 0 320.393 0.985 50 0 DCAARM C[C@@H](CN(C)C(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262959984 396194915 /nfs/dbraw/zinc/19/49/15/396194915.db2.gz KBBAJNMNMXLEMG-LURJTMIESA-N -1 0 306.365 0.188 50 0 DCAARM CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cs1 ZINC000533572897 396607029 /nfs/dbraw/zinc/60/70/29/396607029.db2.gz YMEFQIYXLYFQIH-MRVPVSSYSA-N -1 0 321.366 0.634 50 0 DCAARM COc1cccc(C[C@H](NC(=O)[C@@H]2COCCO2)C(=O)[O-])c1 ZINC000630241000 396969255 /nfs/dbraw/zinc/96/92/55/396969255.db2.gz CIPOJYIGDZHULH-STQMWFEESA-N -1 0 309.318 0.223 50 0 DCAARM CCC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000006294056 415133092 /nfs/dbraw/zinc/13/30/92/415133092.db2.gz BJVOZKMVDAORSJ-VAWYXSNFSA-N -1 0 303.318 0.515 50 0 DCAARM C[C@@H]1CCCN(Cc2c(C(=O)[O-])nnn2-c2nonc2N)C1 ZINC000005484081 415133348 /nfs/dbraw/zinc/13/33/48/415133348.db2.gz OUSXDWQQFWQIHN-SSDOTTSWSA-N -1 0 307.314 0.163 50 0 DCAARM CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000032627115 415186782 /nfs/dbraw/zinc/18/67/82/415186782.db2.gz LJXCLKXFEKHXCG-MRVPVSSYSA-N -1 0 317.319 0.694 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000048374702 415292188 /nfs/dbraw/zinc/29/21/88/415292188.db2.gz JBZIFVFBXIZKEC-SNVBAGLBSA-N -1 0 324.358 0.664 50 0 DCAARM CC(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)C(=O)[O-] ZINC000095365173 415555348 /nfs/dbraw/zinc/55/53/48/415555348.db2.gz YDQSBZWBNWYBEH-LBPRGKRZSA-N -1 0 303.322 0.891 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)CCO1 ZINC000314961720 416112356 /nfs/dbraw/zinc/11/23/56/416112356.db2.gz OKQUJHCDIUWANO-PMUGQKEBSA-N -1 0 303.314 0.947 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000215134769 416326937 /nfs/dbraw/zinc/32/69/37/416326937.db2.gz VNBBHGISDCHACO-UHFFFAOYSA-N -1 0 301.306 0.465 50 0 DCAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000238052880 416329747 /nfs/dbraw/zinc/32/97/47/416329747.db2.gz JVFDNQKDNUYCGJ-ZCFIWIBFSA-N -1 0 320.223 0.871 50 0 DCAARM C[N@@H+]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1C(=O)[O-] ZINC000244708296 416330748 /nfs/dbraw/zinc/33/07/48/416330748.db2.gz KRENWRXFINMARJ-AWEZNQCLSA-N -1 0 313.361 0.739 50 0 DCAARM CC(C)(NC(=O)CNC(=O)c1ccc(F)cc1)c1nnn[n-]1 ZINC000359875660 416364008 /nfs/dbraw/zinc/36/40/08/416364008.db2.gz ITLYWHJDHULSOD-UHFFFAOYSA-N -1 0 306.301 0.120 50 0 DCAARM O=C([O-])CN(C(=O)Cc1cnn2ccccc12)C1CCOCC1 ZINC000647733541 418045782 /nfs/dbraw/zinc/04/57/82/418045782.db2.gz KHKPERFMOSWEFP-UHFFFAOYSA-N -1 0 317.345 0.969 50 0 DCAARM O=C([O-])c1ccc2c(c1)CCCN2C(=O)CN1CCNCC1=O ZINC000656853620 418379141 /nfs/dbraw/zinc/37/91/41/418379141.db2.gz BSSWTVKXOUXTGG-UHFFFAOYSA-N -1 0 317.345 0.096 50 0 DCAARM CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000299002646 278118361 /nfs/dbraw/zinc/11/83/61/278118361.db2.gz BHGDEGXTUSULKH-ZETCQYMHSA-N -1 0 320.392 0.178 50 0 DCAARM COCc1nc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cs1 ZINC000263286477 293328683 /nfs/dbraw/zinc/32/86/83/293328683.db2.gz KPLQNQIHSGDIFW-MRVPVSSYSA-N -1 0 300.336 0.605 50 0 DCAARM Cc1nc2[n-]c(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)nn2c(=O)c1C ZINC000102815321 302685008 /nfs/dbraw/zinc/68/50/08/302685008.db2.gz DNCGEIFVMKTVRJ-AOOOYVTPSA-N -1 0 313.317 0.902 50 0 DCAARM NS(=O)(=O)c1cc(O)c2c(cccc2S(=O)(=O)[O-])c1 ZINC000003191756 303442929 /nfs/dbraw/zinc/44/29/29/303442929.db2.gz LVAOVTMXTCAMIG-UHFFFAOYSA-N -1 0 303.317 0.440 50 0 DCAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCCS1(=O)=O ZINC000577231208 341899187 /nfs/dbraw/zinc/89/91/87/341899187.db2.gz HDWHCJKMGNDFNH-GHMZBOCLSA-N -1 0 319.379 0.046 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000299745929 526681119 /nfs/dbraw/zinc/68/11/19/526681119.db2.gz UDQHIVVTWDOREP-LBPRGKRZSA-N -1 0 308.359 0.922 50 0 DCAARM CCc1cc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)[nH]n1 ZINC000083820332 545698555 /nfs/dbraw/zinc/69/85/55/545698555.db2.gz PKQBDEDHNZCCNP-UHFFFAOYSA-N -1 0 312.351 0.898 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2cnn(CC(F)F)c2)C[C@H]1C(=O)[O-] ZINC000263091360 545986072 /nfs/dbraw/zinc/98/60/72/545986072.db2.gz IVNNHYAPXAQMLO-VXNVDRBHSA-N -1 0 323.321 0.489 50 0 DCAARM O=C([O-])CCNC(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000952984710 685601676 /nfs/dbraw/zinc/60/16/76/685601676.db2.gz ADWATNINCIGXHO-SNVBAGLBSA-N -1 0 309.322 0.658 50 0 DCAARM CN(C)c1ncc(/C=C/C(=O)NC2(C(=O)[O-])CCOCC2)cn1 ZINC000952983387 685602000 /nfs/dbraw/zinc/60/20/00/685602000.db2.gz LLHASQBAIXVQIB-ONEGZZNKSA-N -1 0 320.349 0.306 50 0 DCAARM COc1nc(N2CCc3c(c(C(=O)[O-])nn3C)C2)ncc1F ZINC001772705549 1157843292 /nfs/dbraw/zinc/84/32/92/1157843292.db2.gz JLPSWVCNADRNDX-UHFFFAOYSA-N -1 0 307.285 0.619 50 0 DCAARM Cc1cnc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)nc1N(C)C ZINC001772706193 1157843454 /nfs/dbraw/zinc/84/34/54/1157843454.db2.gz ICJDCGHMEAZGHO-ABAIWWIYSA-N -1 0 306.366 0.779 50 0 DCAARM Cn1nc([N-]S(C)(=O)=O)c2c1CCN(C(=O)C1(C)CC1)C2 ZINC000675021945 748028435 /nfs/dbraw/zinc/02/84/35/748028435.db2.gz UOGXURGICOOEOJ-UHFFFAOYSA-N -1 0 312.395 0.476 50 0 DCAARM COCCCS(=O)(=O)[N-]C(=O)c1noc2c1CCCC2 ZINC000130211469 185946525 /nfs/dbraw/zinc/94/65/25/185946525.db2.gz SPPCYSWFOAIZBT-UHFFFAOYSA-N -1 0 302.352 0.650 50 0 DCAARM CCOC(=O)C[C@@H](c1cnn(C)c1)c1oc(CO)cc(=O)c1O ZINC000072324578 191123282 /nfs/dbraw/zinc/12/32/82/191123282.db2.gz HJGKCHPONZSXHS-NSHDSACASA-N -1 0 322.317 0.656 50 0 biogenic DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@H]3CCOC3)CC2)c1 ZINC000072430938 191163273 /nfs/dbraw/zinc/16/32/73/191163273.db2.gz BOJBHAOLRGFZJM-LBPRGKRZSA-N -1 0 307.350 0.630 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CCO1 ZINC000072458530 191172540 /nfs/dbraw/zinc/17/25/40/191172540.db2.gz MMBBIYYKEMTWQR-GFCCVEGCSA-N -1 0 320.276 0.593 50 0 DCAARM CNc1nc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)ncc1F ZINC000072476250 191178464 /nfs/dbraw/zinc/17/84/64/191178464.db2.gz VOEVWVRWAYCMGV-UHFFFAOYSA-N -1 0 320.328 0.934 50 0 DCAARM NC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000003356035 181010968 /nfs/dbraw/zinc/01/09/68/181010968.db2.gz LNFSWPRNYRLOLF-UHFFFAOYSA-N -1 0 312.347 0.271 50 0 DCAARM CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000004107591 181074359 /nfs/dbraw/zinc/07/43/59/181074359.db2.gz UEJCLSLQYRTJEB-UHFFFAOYSA-N -1 0 315.347 0.804 50 0 DCAARM CC[C@H](C)n1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000005247773 181220986 /nfs/dbraw/zinc/22/09/86/181220986.db2.gz DUVJYCHUUZJLHR-LURJTMIESA-N -1 0 312.351 0.571 50 0 DCAARM Cc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(=O)[O-])C2=O)cc1 ZINC000262453256 238174536 /nfs/dbraw/zinc/17/45/36/238174536.db2.gz WUCMYCXUTIUOCB-AVGNSLFASA-N -1 0 302.330 0.937 50 0 DCAARM C[C@H]1C[C@H]1c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000367070567 239141279 /nfs/dbraw/zinc/14/12/79/239141279.db2.gz FCYZFXKQBKMSBY-DTWKUNHWSA-N -1 0 314.363 0.599 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000091519240 193068169 /nfs/dbraw/zinc/06/81/69/193068169.db2.gz YFADJYVQTVOSNJ-HNNXBMFYSA-N -1 0 308.334 0.718 50 0 DCAARM Cc1nonc1CC(=O)N1C[C@@H](c2ccncc2)[C@H](C(=O)[O-])C1 ZINC000091873174 193121271 /nfs/dbraw/zinc/12/12/71/193121271.db2.gz RKQMQBXMVDXZOW-NWDGAFQWSA-N -1 0 316.317 0.642 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000252431538 304141323 /nfs/dbraw/zinc/14/13/23/304141323.db2.gz LAFXIKOZHMDLJA-BJDJZHNGSA-N -1 0 315.391 0.665 50 0 DCAARM CN(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC000095350375 193426084 /nfs/dbraw/zinc/42/60/84/193426084.db2.gz DTZOTRMURFJHPL-MNOVXSKESA-N -1 0 313.398 0.996 50 0 DCAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000095949214 193454954 /nfs/dbraw/zinc/45/49/54/193454954.db2.gz CPWBMHNICCVBMT-JQWIXIFHSA-N -1 0 313.398 0.996 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000018059318 182091490 /nfs/dbraw/zinc/09/14/90/182091490.db2.gz YMHQMPQRXPUJBL-ZJUUUORDSA-N -1 0 321.720 0.720 50 0 DCAARM CCOC(=O)c1cc(NC(=O)c2c(C(=O)[O-])cnn2C)[nH]n1 ZINC000020616519 182239034 /nfs/dbraw/zinc/23/90/34/182239034.db2.gz IADGTVZKDKEZDD-UHFFFAOYSA-N -1 0 307.266 0.270 50 0 DCAARM COCC[N-]S(=O)(=O)c1c(C)nc2sc(C)cn2c1=O ZINC000020921999 182253657 /nfs/dbraw/zinc/25/36/57/182253657.db2.gz YMGFNLUPTYVNNB-UHFFFAOYSA-N -1 0 317.392 0.298 50 0 DCAARM O=C([O-])C[C@H](NC(=O)CN1CSCC1=O)c1ccccc1 ZINC000036969579 182857536 /nfs/dbraw/zinc/85/75/36/182857536.db2.gz HEBHCYFLYBDODR-NSHDSACASA-N -1 0 308.359 0.852 50 0 DCAARM CCNC(=O)[C@@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000040478779 183075766 /nfs/dbraw/zinc/07/57/66/183075766.db2.gz MEFWNRKXMIKBKM-MRVPVSSYSA-N -1 0 307.379 0.732 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cncc(Br)c2)CCO1 ZINC000043700885 183381694 /nfs/dbraw/zinc/38/16/94/183381694.db2.gz UXIXHXDDCCHWLU-VIFPVBQESA-N -1 0 315.123 0.770 50 0 DCAARM O=c1ccc(-c2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)n[nH]1 ZINC000065563587 184366435 /nfs/dbraw/zinc/36/64/35/184366435.db2.gz JDPQGPSZHKEVTR-UHFFFAOYSA-N -1 0 317.330 0.961 50 0 DCAARM Cn1c(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc2ccccc21 ZINC000065567118 184367113 /nfs/dbraw/zinc/36/71/13/184367113.db2.gz CBZNKEFKMROOEB-UHFFFAOYSA-N -1 0 319.346 0.952 50 0 DCAARM C[C@@](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)(C(=O)[O-])C1CC1 ZINC000237721914 256600581 /nfs/dbraw/zinc/60/05/81/256600581.db2.gz NPYYETXJWDKVHJ-QFYYESIMSA-N -1 0 320.345 0.998 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2cncn2)cc1 ZINC000362698734 257235727 /nfs/dbraw/zinc/23/57/27/257235727.db2.gz QQUVRNLYMVGPQT-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM CC1(C)CN(C(=O)Cn2[n-]nnc2=N)C[C@@H]1c1ccccc1 ZINC000426595123 257245724 /nfs/dbraw/zinc/24/57/24/257245724.db2.gz YPNHZICNQRGJAI-GFCCVEGCSA-N -1 0 300.366 0.738 50 0 DCAARM C[C@H](NC(=O)c1cc(C2CC2)on1)c1n[nH]c(CC(=O)[O-])n1 ZINC000426534392 257247962 /nfs/dbraw/zinc/24/79/62/257247962.db2.gz FSSAEYASGQEVKR-LURJTMIESA-N -1 0 305.294 0.788 50 0 DCAARM Cc1ccn2c(c1)nc(C(=O)NCCCc1nnn[n-]1)c2F ZINC000426494057 257248141 /nfs/dbraw/zinc/24/81/41/257248141.db2.gz MGIFWSWSPDIZQS-UHFFFAOYSA-N -1 0 303.301 0.658 50 0 DCAARM COC(=O)c1cc(Nc2nncc(=O)[n-]2)cc(C(=O)OC)c1 ZINC000011903656 395686915 /nfs/dbraw/zinc/68/69/15/395686915.db2.gz UIHUCPZWUKAYIE-UHFFFAOYSA-N -1 0 304.262 0.482 50 0 DCAARM CCO[C@H](C)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000015946972 395690172 /nfs/dbraw/zinc/69/01/72/395690172.db2.gz IOXOCYGMTXMOFK-NKIIXMILSA-N -1 0 316.379 0.043 50 0 DCAARM COc1ncnc([N-]S(=O)(=O)c2ccc(N)cc2)c1OC ZINC000000002094 395679711 /nfs/dbraw/zinc/67/97/11/395679711.db2.gz PJSFRIWCGOHTNF-UHFFFAOYSA-N -1 0 310.335 0.877 50 0 world DCAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCC(N)=O ZINC000000053683 395679725 /nfs/dbraw/zinc/67/97/25/395679725.db2.gz ZKBJCVHWLYBQIN-PELKAZGASA-N -1 0 312.347 0.348 50 0 DCAARM Cn1c2nc(NC3CCCCC3)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000001279637 395680743 /nfs/dbraw/zinc/68/07/43/395680743.db2.gz OSBAPLAHCVCPSH-UHFFFAOYSA-N -1 0 321.337 0.253 50 0 DCAARM CC(C)COc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000002097749 395681337 /nfs/dbraw/zinc/68/13/37/395681337.db2.gz QRCMZLMNVCQNMO-UHFFFAOYSA-N -1 0 308.334 0.652 50 0 biogenic DCAARM O=C([O-])C[C@@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1 ZINC000003148583 395682285 /nfs/dbraw/zinc/68/22/85/395682285.db2.gz FYRVHIGVUQJEGI-JTQLQIEISA-N -1 0 317.301 0.052 50 0 DCAARM CCOC(=O)c1cnn(-c2ccc(S(=O)(=O)[O-])cc2)c1N ZINC000006939930 395683096 /nfs/dbraw/zinc/68/30/96/395683096.db2.gz LAHPQPMEBOVNAV-UHFFFAOYSA-N -1 0 311.319 0.878 50 0 DCAARM COc1cc2c(cc1OC)C1=NNC(=O)[C@@H](CC(=O)[O-])N1C=N2 ZINC000032824466 395713804 /nfs/dbraw/zinc/71/38/04/395713804.db2.gz CTCQTWOUVPZSDE-SECBINFHSA-N -1 0 318.289 0.314 50 0 DCAARM C/C=C\Cn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000033926679 395717539 /nfs/dbraw/zinc/71/75/39/395717539.db2.gz SVRDUAQCINNXIE-ARJAWSKDSA-N -1 0 310.335 0.176 50 0 DCAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000034926335 395718449 /nfs/dbraw/zinc/71/84/49/395718449.db2.gz RTOGGNKEKCMWCV-GHMZBOCLSA-N -1 0 304.350 0.482 50 0 DCAARM Cn1cc(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)cn1 ZINC000036908956 395725100 /nfs/dbraw/zinc/72/51/00/395725100.db2.gz DRUUFEMFTVXZRY-UHFFFAOYSA-N -1 0 309.347 0.639 50 0 DCAARM O=C([O-])Cn1nc(C2CCOCC2)nc1CCc1cn[nH]c1 ZINC000097772696 395760507 /nfs/dbraw/zinc/76/05/07/395760507.db2.gz QDCFFQWHPGDWHX-UHFFFAOYSA-N -1 0 305.338 0.765 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000101019896 395763788 /nfs/dbraw/zinc/76/37/88/395763788.db2.gz UZPWBSVAGQUZSZ-KOLCDFICSA-N -1 0 316.273 0.379 50 0 DCAARM O=C([O-])CCNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000049546090 395832408 /nfs/dbraw/zinc/83/24/08/395832408.db2.gz WLXCETIRBVNHOK-UHFFFAOYSA-N -1 0 319.292 0.640 50 0 DCAARM CN(C)C(=O)NCC(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000219836239 395846518 /nfs/dbraw/zinc/84/65/18/395846518.db2.gz SFUVSSDCPULKCF-UHFFFAOYSA-N -1 0 309.322 0.151 50 0 DCAARM CC[C@H](C)[C@H](CO)NC(=O)CCc1nn2c([n-]1)nc(C)cc2=O ZINC000252549659 396022947 /nfs/dbraw/zinc/02/29/47/396022947.db2.gz ROJOMCWCWQPYEJ-ONGXEEELSA-N -1 0 321.381 0.594 50 0 DCAARM Cc1csc(=O)n1CC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000164974203 396087316 /nfs/dbraw/zinc/08/73/16/396087316.db2.gz IRQLJAHWKXCPLU-UHFFFAOYSA-N -1 0 304.393 0.464 50 0 DCAARM Cc1c(C(=O)Nc2nnn[n-]2)nnn1-c1ccccc1Cl ZINC000071803287 396115284 /nfs/dbraw/zinc/11/52/84/396115284.db2.gz ZKXCHLKEDWSWLR-UHFFFAOYSA-N -1 0 304.701 0.995 50 0 DCAARM CCCCNC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2 ZINC000071890329 396123685 /nfs/dbraw/zinc/12/36/85/396123685.db2.gz SBKPZYBMKPQVME-UHFFFAOYSA-N -1 0 321.362 0.911 50 0 DCAARM Cc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)o1 ZINC000072275688 396128906 /nfs/dbraw/zinc/12/89/06/396128906.db2.gz PMRFGSZHFGWGPE-SWLSCSKDSA-N -1 0 322.361 0.894 50 0 DCAARM CCO[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262494883 396146678 /nfs/dbraw/zinc/14/66/78/396146678.db2.gz GVZRKDAQXXQHKZ-NWDGAFQWSA-N -1 0 312.366 0.193 50 0 DCAARM CC(C)c1cc(C(=O)NCc2cn(CC(=O)[O-])nn2)n(C)n1 ZINC000262847411 396187039 /nfs/dbraw/zinc/18/70/39/396187039.db2.gz WCGBDYVWMPDTFJ-UHFFFAOYSA-N -1 0 306.326 0.150 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3cnccn3)n2)CCO1 ZINC000262873881 396189382 /nfs/dbraw/zinc/18/93/82/396189382.db2.gz JVBZOYRJAFEQKW-JTQLQIEISA-N -1 0 320.330 0.526 50 0 DCAARM CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000263050918 396198932 /nfs/dbraw/zinc/19/89/32/396198932.db2.gz WWOLDSZPMHVWDT-NWDGAFQWSA-N -1 0 312.366 0.337 50 0 DCAARM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000269733897 396440712 /nfs/dbraw/zinc/44/07/12/396440712.db2.gz XHPVPSYUJOSEOJ-VIFPVBQESA-N -1 0 316.354 0.672 50 0 DCAARM C[C@H]1Oc2c(cccc2C(=O)N2CCOC[C@H]2C(=O)[O-])NC1=O ZINC000268964806 396378954 /nfs/dbraw/zinc/37/89/54/396378954.db2.gz CDSJLWKZRQITEN-KCJUWKMLSA-N -1 0 320.301 0.332 50 0 DCAARM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCn2cccn2)N1C1CC1 ZINC000630657885 397072711 /nfs/dbraw/zinc/07/27/11/397072711.db2.gz WINYRIUTFMFYHE-QWHCGFSZSA-N -1 0 306.366 0.469 50 0 DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000370544485 397499883 /nfs/dbraw/zinc/49/98/83/397499883.db2.gz TZINWHTWTFTEMN-NSHDSACASA-N -1 0 303.311 0.441 50 0 DCAARM CO[C@@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000262853669 158845601 /nfs/dbraw/zinc/84/56/01/158845601.db2.gz GZARYLXRJYEMHC-ZDUSSCGKSA-N -1 0 320.345 0.638 50 0 DCAARM C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1[n-]c(=O)ccc1=O ZINC000048290497 415287277 /nfs/dbraw/zinc/28/72/77/415287277.db2.gz JFJKNMAURPPISR-VXGBXAGGSA-N -1 0 309.366 0.660 50 0 DCAARM Cc1nc(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])cn1C ZINC000050253277 415313722 /nfs/dbraw/zinc/31/37/22/415313722.db2.gz MVCMCOFFBDNPEO-JTQLQIEISA-N -1 0 301.368 0.746 50 0 DCAARM CC(C)[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1nccn1C ZINC000067833748 415386851 /nfs/dbraw/zinc/38/68/51/415386851.db2.gz NQRWVJQNKVHHGY-CYBMUJFWSA-N -1 0 305.338 0.196 50 0 DCAARM O=C(NCc1c(F)cccc1OC(F)F)c1n[nH]c(=O)[n-]1 ZINC000084339118 415496266 /nfs/dbraw/zinc/49/62/66/415496266.db2.gz 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322.365 0.261 50 0 DCAARM Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(C)c1 ZINC000012506172 301197729 /nfs/dbraw/zinc/19/77/29/301197729.db2.gz GPKXJDJMUFBDBV-NEPJUHHUSA-N -1 0 313.375 0.820 50 0 DCAARM Cn1nc(CC(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc2c1=O ZINC000299749533 303043369 /nfs/dbraw/zinc/04/33/69/303043369.db2.gz KPWRAMYULZWTAL-CYBMUJFWSA-N -1 0 315.329 0.552 50 0 DCAARM Cn1nc(CC(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2c1=O ZINC000262876710 303043909 /nfs/dbraw/zinc/04/39/09/303043909.db2.gz KPWRAMYULZWTAL-ZDUSSCGKSA-N -1 0 315.329 0.552 50 0 DCAARM Cn1nc(C(=O)[O-])c2c1CCN(Cc1nc(C3CC3)no1)C2 ZINC000534642937 334305817 /nfs/dbraw/zinc/30/58/17/334305817.db2.gz QEABOULHNSHYKC-UHFFFAOYSA-N -1 0 303.322 0.937 50 0 DCAARM O=C([O-])CN1CCN(c2cc(C(F)(F)F)ccn2)CC1=O ZINC000534636955 334309697 /nfs/dbraw/zinc/30/96/97/334309697.db2.gz JAKUPPQMTUKDRM-UHFFFAOYSA-N -1 0 303.240 0.834 50 0 DCAARM O=C([O-])CCCC(=O)N1CCCO[C@@H](CN2CCOCC2)C1 ZINC000534648399 334316513 /nfs/dbraw/zinc/31/65/13/334316513.db2.gz VDECCRCPNFFKJB-ZDUSSCGKSA-N -1 0 314.382 0.191 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000268892685 534518896 /nfs/dbraw/zinc/51/88/96/534518896.db2.gz AEIONTYTHMCJRU-GFCCVEGCSA-N -1 0 315.333 0.528 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000238071510 526321356 /nfs/dbraw/zinc/32/13/56/526321356.db2.gz XUDISOOVIDUOLY-LBPRGKRZSA-N -1 0 315.333 0.663 50 0 DCAARM O=C([O-])COc1cccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000262766840 527618732 /nfs/dbraw/zinc/61/87/32/527618732.db2.gz KWIGOOTYXWRCSD-NSHDSACASA-N -1 0 318.329 0.643 50 0 DCAARM CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@H]2C(=O)[O-])C1=O ZINC000262147045 527786089 /nfs/dbraw/zinc/78/60/89/527786089.db2.gz QQAWUFOBMLMKOQ-VIFPVBQESA-N -1 0 311.338 0.173 50 0 DCAARM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263307295 545986589 /nfs/dbraw/zinc/98/65/89/545986589.db2.gz HKZHKYNUPKXVIN-UMSGYPCISA-N -1 0 314.382 0.790 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cncc(F)c2)C1 ZINC000685941144 548747091 /nfs/dbraw/zinc/74/70/91/548747091.db2.gz SUJWFYLQJNMHMN-KWQFWETISA-N -1 0 309.297 0.272 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCC(F)(F)F)C1 ZINC000685941046 548747116 /nfs/dbraw/zinc/74/71/16/548747116.db2.gz OYRBAWOIIARWHD-YUMQZZPRSA-N -1 0 310.272 0.767 50 0 DCAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1ccccc1OCCO)C2 ZINC001704313122 1179969317 /nfs/dbraw/zinc/96/93/17/1179969317.db2.gz GAKJFBWMALJARL-IYBDPMFKSA-N -1 0 321.329 0.419 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(C(=O)c2cccn(C)c2=O)C[C@@H]1O ZINC001704326229 1179974061 /nfs/dbraw/zinc/97/40/61/1179974061.db2.gz YQHJHUHRIMKVBD-LRDDRELGSA-N -1 0 322.361 0.463 50 0 DCAARM O=C(NCc1n[nH]c(=O)[n-]1)C1(N2CCOCC2)CCCCC1 ZINC000827661162 758874588 /nfs/dbraw/zinc/87/45/88/758874588.db2.gz INRMLYCCWFERLN-UHFFFAOYSA-N -1 0 309.370 0.162 50 0 DCAARM COCCn1cnnc1SCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000006871482 190625955 /nfs/dbraw/zinc/62/59/55/190625955.db2.gz JOGYPQJBOBMUFL-JTQLQIEISA-N -1 0 316.383 0.242 50 0 DCAARM COc1ccccc1S([O-])=CC(=O)N[C@@H]1CCCCNC1=O ZINC000095394028 185352289 /nfs/dbraw/zinc/35/22/89/185352289.db2.gz NOPORXBWSSPVKK-RKFFSXRUSA-N -1 0 324.402 0.588 50 0 DCAARM CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000262164971 530037031 /nfs/dbraw/zinc/03/70/31/530037031.db2.gz UBJJOIDEXQSSAX-MRVPVSSYSA-N -1 0 318.376 0.345 50 0 DCAARM Cn1nc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1=O ZINC000261788767 303041933 /nfs/dbraw/zinc/04/19/33/303041933.db2.gz SUAXCWHYYCALJL-CQSZACIVSA-N -1 0 313.313 0.605 50 0 DCAARM COc1nccnc1N1CCC(C(=O)[O-])(n2ccnc2)CC1 ZINC000072429386 191163113 /nfs/dbraw/zinc/16/31/13/191163113.db2.gz DFEHXROCKMKRAJ-UHFFFAOYSA-N -1 0 303.322 0.762 50 0 DCAARM COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)c1 ZINC000004942704 181176812 /nfs/dbraw/zinc/17/68/12/181176812.db2.gz AEAUHKCPAGUVON-JTQLQIEISA-N -1 0 303.278 0.674 50 0 DCAARM CCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000236927351 202074962 /nfs/dbraw/zinc/07/49/62/202074962.db2.gz HQFBDSXPKWHAMY-NSHDSACASA-N -1 0 308.334 0.951 50 0 DCAARM C[C@@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000237405657 202256259 /nfs/dbraw/zinc/25/62/59/202256259.db2.gz FLPZNYUBFUZPCO-NEPJUHHUSA-N -1 0 323.368 0.926 50 0 DCAARM COC(=O)c1ccc(-n2nnnc2SCc2nnn[n-]2)cc1 ZINC000006558966 181355409 /nfs/dbraw/zinc/35/54/09/181355409.db2.gz RDCJYAJGZMVBGI-UHFFFAOYSA-N -1 0 318.322 0.254 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000268989323 304136012 /nfs/dbraw/zinc/13/60/12/304136012.db2.gz RGJLIMMONWSMAW-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CSCC1=O ZINC000252431719 304143630 /nfs/dbraw/zinc/14/36/30/304143630.db2.gz ORHDNQHWUOYFCX-AXFHLTTASA-N -1 0 312.391 0.764 50 0 DCAARM COC(=O)c1cn(CCc2ccccn2)cc(C(=O)[O-])c1=O ZINC000096032206 193491947 /nfs/dbraw/zinc/49/19/47/193491947.db2.gz HIEBMBVGUOBGOD-UHFFFAOYSA-N -1 0 302.286 0.971 50 0 DCAARM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cs1)C(=O)[O-] ZINC000016649616 182056108 /nfs/dbraw/zinc/05/61/08/182056108.db2.gz ABQLOSACNGOKNY-LURJTMIESA-N -1 0 306.365 0.201 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000018250215 182100990 /nfs/dbraw/zinc/10/09/90/182100990.db2.gz IQTJYXGILGFVMQ-PWSUYJOCSA-N -1 0 318.285 0.503 50 0 DCAARM COc1ccc(C(=O)NN2C[C@H](C(=O)[O-])CC2=O)cc1OC ZINC000039315674 183016200 /nfs/dbraw/zinc/01/62/00/183016200.db2.gz VLSKMXGLFYHWKN-SECBINFHSA-N -1 0 308.290 0.282 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000049864863 183761041 /nfs/dbraw/zinc/76/10/41/183761041.db2.gz MZUAOWANJQIGBZ-NWDGAFQWSA-N -1 0 311.721 0.956 50 0 DCAARM CN1CC(=O)N(c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)C1=O ZINC000065465280 184350071 /nfs/dbraw/zinc/35/00/71/184350071.db2.gz PVBCNNOWNLSFFG-VIFPVBQESA-N -1 0 317.301 0.523 50 0 DCAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000263273048 304257498 /nfs/dbraw/zinc/25/74/98/304257498.db2.gz MQFWXNHIQSEHEC-BMIGLBTASA-N -1 0 306.318 0.848 50 0 DCAARM CC(C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000071328883 256542812 /nfs/dbraw/zinc/54/28/12/256542812.db2.gz LQIMKNVYOQYREQ-CYBMUJFWSA-N -1 0 303.318 0.622 50 0 DCAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000426574692 257245939 /nfs/dbraw/zinc/24/59/39/257245939.db2.gz IMZAGTGQGLGDIF-SECBINFHSA-N -1 0 304.310 0.106 50 0 DCAARM COc1cc(C(=O)[O-])cc(C(=O)NCCCn2ccnn2)c1 ZINC000426518740 257247681 /nfs/dbraw/zinc/24/76/81/257247681.db2.gz JDXZXKWIQNAJFL-UHFFFAOYSA-N -1 0 304.306 0.805 50 0 DCAARM O=C([O-])[C@H]1C=CCN1C(=O)CCN1Cc2ccccc2C1=O ZINC000426407533 257251532 /nfs/dbraw/zinc/25/15/32/257251532.db2.gz LKVSCBGAMXCNGA-CYBMUJFWSA-N -1 0 300.314 0.884 50 0 DCAARM NC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000009646647 395685421 /nfs/dbraw/zinc/68/54/21/395685421.db2.gz PREFKDFRNVHQQN-UHFFFAOYSA-N -1 0 312.347 0.271 50 0 DCAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2N)cc1OC ZINC000000525004 395680542 /nfs/dbraw/zinc/68/05/42/395680542.db2.gz VUKKWOOYNBTJTR-UHFFFAOYSA-N -1 0 310.335 0.853 50 0 DCAARM NC(=O)CSc1nnnn1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000000542134 395680575 /nfs/dbraw/zinc/68/05/75/395680575.db2.gz RSMSVOZOHHAJPX-UHFFFAOYSA-N -1 0 313.726 0.591 50 0 DCAARM O=C(NCCCO)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000002134030 395681311 /nfs/dbraw/zinc/68/13/11/395681311.db2.gz OYRKTRBOSLOTHO-UHFFFAOYSA-N -1 0 302.330 0.766 50 0 DCAARM O=C([O-])C[C@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)c1ccccc1 ZINC000003148584 395682311 /nfs/dbraw/zinc/68/23/11/395682311.db2.gz FYRVHIGVUQJEGI-SNVBAGLBSA-N -1 0 317.301 0.052 50 0 DCAARM C[C@@H](Cc1ccccc1)n1cc([N-]C(=O)NCC(=O)[O-])[o+]n1 ZINC000006763471 395683103 /nfs/dbraw/zinc/68/31/03/395683103.db2.gz CBKNCTCXFKKUSZ-JTQLQIEISA-O -1 0 305.314 0.972 50 0 DCAARM Cc1ccccc1OCC(=O)N1CC(n2cc(C(=O)[O-])nn2)C1 ZINC000095962980 395741141 /nfs/dbraw/zinc/74/11/41/395741141.db2.gz BHELVKFRKSSNKJ-UHFFFAOYSA-N -1 0 316.317 0.747 50 0 DCAARM O=C([O-])c1n[nH]cc1CN1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000097402460 395757476 /nfs/dbraw/zinc/75/74/76/395757476.db2.gz DBCPFOWHSMCRPL-ZDUSSCGKSA-N -1 0 314.345 0.651 50 0 DCAARM Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)c2nnn[n-]2)s1 ZINC000097377631 395757734 /nfs/dbraw/zinc/75/77/34/395757734.db2.gz YWRVDMSFQPUWNS-SSDOTTSWSA-N -1 0 301.397 0.994 50 0 DCAARM Cc1nccn1[C@@H](C)CC(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000222452617 395852750 /nfs/dbraw/zinc/85/27/50/395852750.db2.gz FQKUZYGYQOZNKM-NSHDSACASA-N -1 0 303.366 0.893 50 0 DCAARM C[C@H](CN(C)C(=O)[C@@H]1Cc2cccc(F)c2O1)c1nnn[n-]1 ZINC000124579078 395900645 /nfs/dbraw/zinc/90/06/45/395900645.db2.gz GHXBRNYUWTXQJI-KCJUWKMLSA-N -1 0 305.313 0.904 50 0 DCAARM CCC(=O)c1ccc(OCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000055154342 395912236 /nfs/dbraw/zinc/91/22/36/395912236.db2.gz HVDMZJSWAICLDK-YPMHNXCESA-N -1 0 321.329 0.705 50 0 DCAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCNC(=O)c3ccccc3F)C[C@@H]21 ZINC000244811722 395925457 /nfs/dbraw/zinc/92/54/57/395925457.db2.gz SJYAHCAYWGUELU-YABSGUDNSA-N -1 0 320.320 0.735 50 0 DCAARM NC(=O)COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000261723030 396060294 /nfs/dbraw/zinc/06/02/94/396060294.db2.gz QGOPJOVHANQVKM-NSHDSACASA-N -1 0 306.318 0.488 50 0 DCAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)c(F)c1 ZINC000069742236 396089836 /nfs/dbraw/zinc/08/98/36/396089836.db2.gz CZKIZRQHFLKULJ-UHFFFAOYSA-N -1 0 312.326 0.617 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC000262150053 396104231 /nfs/dbraw/zinc/10/42/31/396104231.db2.gz BIOLFYSMLLMKQS-HNNXBMFYSA-N -1 0 306.318 0.488 50 0 DCAARM CNC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071285501 396111643 /nfs/dbraw/zinc/11/16/43/396111643.db2.gz OKXVPTMQZOXUCH-IUCAKERBSA-N -1 0 311.363 0.727 50 0 DCAARM NC(=O)Cc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000071284505 396111934 /nfs/dbraw/zinc/11/19/34/396111934.db2.gz OSMMUDMXIVKLTF-UHFFFAOYSA-N -1 0 300.274 0.455 50 0 DCAARM CCc1cc(CN2CCN(c3ncccn3)C[C@@H]2C(=O)[O-])[nH]n1 ZINC000071498306 396114287 /nfs/dbraw/zinc/11/42/87/396114287.db2.gz ROMPTYSZTLYZAC-CYBMUJFWSA-N -1 0 316.365 0.538 50 0 DCAARM O=C(Cc1cc(=O)[nH][n-]c1=O)N1CCC2(CCOCC2)CC1 ZINC000072128091 396127433 /nfs/dbraw/zinc/12/74/33/396127433.db2.gz SVZQNPGCYFXYGH-UHFFFAOYSA-N -1 0 307.350 0.025 50 0 DCAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)o1 ZINC000072275685 396128666 /nfs/dbraw/zinc/12/86/66/396128666.db2.gz PMRFGSZHFGWGPE-DOMZBBRYSA-N -1 0 322.361 0.894 50 0 DCAARM CCOc1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000069380275 396076443 /nfs/dbraw/zinc/07/64/43/396076443.db2.gz SYJYRZKCJVECGM-UHFFFAOYSA-N -1 0 310.335 0.859 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)[C@@H]2COc3ccccc3C2)n[n-]1 ZINC000069535816 396082170 /nfs/dbraw/zinc/08/21/70/396082170.db2.gz GPRATYNSRLWGRY-VIFPVBQESA-N -1 0 322.346 0.398 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1 ZINC000261969855 396084708 /nfs/dbraw/zinc/08/47/08/396084708.db2.gz PXAWTLFHDIXWTC-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000262782325 396181507 /nfs/dbraw/zinc/18/15/07/396181507.db2.gz OHWZDXOJJLMPJW-JTQLQIEISA-N -1 0 323.353 0.489 50 0 DCAARM CCC(=O)Nc1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262949484 396193818 /nfs/dbraw/zinc/19/38/18/396193818.db2.gz INJLEJMPIFIYTN-LBPRGKRZSA-N -1 0 306.318 0.961 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3ccoc32)CCO1 ZINC000580817963 396501641 /nfs/dbraw/zinc/50/16/41/396501641.db2.gz DSNRWLBJDNCHJV-SNVBAGLBSA-N -1 0 311.315 0.907 50 0 DCAARM CCCn1ncnc1-c1cccc(C(=O)NCc2nnn[n-]2)c1 ZINC000584892338 396634126 /nfs/dbraw/zinc/63/41/26/396634126.db2.gz NNJAMNCPUZZFNP-UHFFFAOYSA-N -1 0 312.337 0.798 50 0 DCAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c(C)nn(C)c2C)CC1 ZINC000095380401 285817074 /nfs/dbraw/zinc/81/70/74/285817074.db2.gz CSIJBELCLJKRAB-CYBMUJFWSA-N -1 0 324.381 0.937 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000299743150 292452764 /nfs/dbraw/zinc/45/27/64/292452764.db2.gz MCYIUIVDGBQAPY-NSHDSACASA-N -1 0 312.366 0.337 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000269021099 415247683 /nfs/dbraw/zinc/24/76/83/415247683.db2.gz IFEQEOLIGLWLCN-GFCCVEGCSA-N -1 0 318.329 0.887 50 0 DCAARM O=C(NCCCc1n[nH]c(=O)[n-]1)c1cccc(-n2cccn2)c1 ZINC000075093037 415434565 /nfs/dbraw/zinc/43/45/65/415434565.db2.gz NRYNXSAWXVAREZ-UHFFFAOYSA-N -1 0 312.333 0.646 50 0 DCAARM COc1cccc([C@H](C(=O)[O-])N2CCN(C(C)=O)CC2)c1OC ZINC000095365637 415555233 /nfs/dbraw/zinc/55/52/33/415555233.db2.gz OBUCBNFGSIGHKG-CQSZACIVSA-N -1 0 322.361 0.994 50 0 DCAARM COc1ccc(CC(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000103257467 415613943 /nfs/dbraw/zinc/61/39/43/415613943.db2.gz GRQGNSTZWMAVNG-UHFFFAOYSA-N -1 0 304.302 0.473 50 0 DCAARM CN(C)c1ccc(NC(=O)c2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000101901736 415596659 /nfs/dbraw/zinc/59/66/59/415596659.db2.gz GFZNIBAZVRLTNO-UHFFFAOYSA-N -1 0 318.333 0.358 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1cccc2c1OCC(=O)N2 ZINC000299751497 416064840 /nfs/dbraw/zinc/06/48/40/416064840.db2.gz QSYVNZWWGWZSGL-UHFFFAOYSA-N -1 0 308.290 0.191 50 0 DCAARM O=C([O-])CN1CC[C@@H](n2nnnc2/C=C/c2ccccc2)C1=O ZINC000663219378 418001407 /nfs/dbraw/zinc/00/14/07/418001407.db2.gz INICQBJORGWDLZ-NNNHXZLVSA-N -1 0 313.317 0.702 50 0 DCAARM O=C([O-])c1cccc(C(=O)N2CCOC[C@@H]2c2nc[nH]n2)c1 ZINC000663124686 417993682 /nfs/dbraw/zinc/99/36/82/417993682.db2.gz FJQPQNZYPUGHSJ-LLVKDONJSA-N -1 0 302.290 0.717 50 0 DCAARM COc1ccc([C@@H]2[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC(=O)N2C)cc1 ZINC000299740081 229373569 /nfs/dbraw/zinc/37/35/69/229373569.db2.gz VNIWIJPDBCZFQP-DUFXMDAXSA-N -1 0 320.345 0.804 50 0 DCAARM Cn1cc(-c2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])s2)cn1 ZINC000299748852 229391291 /nfs/dbraw/zinc/39/12/91/229391291.db2.gz ILOMMMDMQILIAY-SECBINFHSA-N -1 0 322.346 0.469 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)CCO1 ZINC000299752617 229396566 /nfs/dbraw/zinc/39/65/66/229396566.db2.gz UUFPSZJHIJMCAS-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000299752820 229396585 /nfs/dbraw/zinc/39/65/85/229396585.db2.gz VOWFXBXFJUYSHN-SNVBAGLBSA-N -1 0 320.301 0.012 50 0 DCAARM CN(C)S(=O)(=O)[C@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000263414256 289266735 /nfs/dbraw/zinc/26/67/35/289266735.db2.gz NJTJDSZYVJIVEW-VIFPVBQESA-N -1 0 314.367 0.035 50 0 DCAARM CS(=O)(=O)c1ccc(CN2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000072144628 295556420 /nfs/dbraw/zinc/55/64/20/295556420.db2.gz JRQIBSZSQPSFMH-LBPRGKRZSA-N -1 0 313.375 0.766 50 0 DCAARM Cc1cc(C)nc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095364414 301262576 /nfs/dbraw/zinc/26/25/76/301262576.db2.gz KIQHPMJBDKSHKW-GFCCVEGCSA-N -1 0 318.377 0.995 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088375105 302781240 /nfs/dbraw/zinc/78/12/40/302781240.db2.gz JCYYVDHWWUKKNA-FSIBCCDJSA-N -1 0 313.741 0.707 50 0 DCAARM Nc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000401244 331462149 /nfs/dbraw/zinc/46/21/49/331462149.db2.gz TXWROWPXUQZXFZ-UHFFFAOYSA-N -1 0 312.372 0.936 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000387986126 333191355 /nfs/dbraw/zinc/19/13/55/333191355.db2.gz RWRVISJWLYTXSD-LSYFEZSPSA-N -1 0 303.314 0.947 50 0 DCAARM CS(=O)(=O)c1ccc(C2(C(=O)NCC(=O)[O-])CCC2)cc1 ZINC000534583414 334290143 /nfs/dbraw/zinc/29/01/43/334290143.db2.gz KOJVANGCEQOXDO-UHFFFAOYSA-N -1 0 311.359 0.713 50 0 DCAARM NC(=O)N1CCC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000299744699 534379248 /nfs/dbraw/zinc/37/92/48/534379248.db2.gz UJKTZYLYXSWWGA-CHWSQXEVSA-N -1 0 319.361 0.589 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000299400084 534519205 /nfs/dbraw/zinc/51/92/05/534519205.db2.gz MRAHERLHNFQERU-SNVBAGLBSA-N -1 0 301.306 0.599 50 0 DCAARM Cc1cnn(C)c1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262101082 526252879 /nfs/dbraw/zinc/25/28/79/526252879.db2.gz IUMIZQRSIZZTOT-GFCCVEGCSA-N -1 0 323.374 0.703 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000238055581 526319306 /nfs/dbraw/zinc/31/93/06/526319306.db2.gz GQANNTCCHPEGPP-GFCCVEGCSA-N -1 0 301.306 0.742 50 0 DCAARM CC1(C)NC(=O)N(CCCC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC000261734044 527785808 /nfs/dbraw/zinc/78/58/08/527785808.db2.gz GAIXDTDOFVZPPZ-VIFPVBQESA-N -1 0 311.338 0.030 50 0 DCAARM CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000408523644 528579104 /nfs/dbraw/zinc/57/91/04/528579104.db2.gz UKOKEQMWLAEGMC-JTQLQIEISA-N -1 0 318.333 0.915 50 0 DCAARM O=C([O-])c1cccc(OCCNC(=O)c2cccc(=O)[nH]2)c1 ZINC000218665910 545939822 /nfs/dbraw/zinc/93/98/22/545939822.db2.gz IYGHZBIZMSATIJ-UHFFFAOYSA-N -1 0 302.286 0.882 50 0 DCAARM Cn1nc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])c2ccccc21 ZINC000263242558 545986624 /nfs/dbraw/zinc/98/66/24/545986624.db2.gz RTVSFTVOKNZKGJ-LLVKDONJSA-N -1 0 317.345 0.818 50 0 DCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)C2CC(C)C2)CCO1 ZINC000681942864 548330446 /nfs/dbraw/zinc/33/04/46/548330446.db2.gz FWWJEMYDJWAKFU-KGPNIALWSA-N -1 0 312.366 0.193 50 0 DCAARM CN1CCO[C@@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C[C@H]21 ZINC000888096219 661173305 /nfs/dbraw/zinc/17/33/05/661173305.db2.gz NXMCWACJIACVJR-HUUCEWRRSA-N -1 0 318.373 0.859 50 0 DCAARM Cc1nnc(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])[nH]1 ZINC000863981661 667205180 /nfs/dbraw/zinc/20/51/80/667205180.db2.gz FIDSPBAJNHITTB-CQSZACIVSA-N -1 0 300.318 0.866 50 0 DCAARM O=C([O-])C1(Oc2ccc3c(c2)CCC3)CCN(C(=O)CO)CC1 ZINC000072467811 685074655 /nfs/dbraw/zinc/07/46/55/685074655.db2.gz MZHQMHXHJHUOEB-UHFFFAOYSA-N -1 0 319.357 0.992 50 0 DCAARM CN(C)c1nc(N2CCc3c(c(C(=O)[O-])nn3C)C2)ncc1F ZINC001772711133 1157847576 /nfs/dbraw/zinc/84/75/76/1157847576.db2.gz WWTNZXJZARZOSP-UHFFFAOYSA-N -1 0 320.328 0.676 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(C)c2C)C[C@@H]1O ZINC001704336007 1179977579 /nfs/dbraw/zinc/97/75/79/1179977579.db2.gz FPBUZZIJURXFMJ-WFASDCNBSA-N -1 0 309.366 0.806 50 0 DCAARM C/C(=C\C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccncc1 ZINC000584908280 766238114 /nfs/dbraw/zinc/23/81/14/766238114.db2.gz TWFQVBMMAISEAZ-JATZPVMKSA-N -1 0 310.375 0.967 50 0 DCAARM CN(Cc1nnn[n-]1)C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000078914732 185128561 /nfs/dbraw/zinc/12/85/61/185128561.db2.gz NNSYUJZIBSOUEJ-JTQLQIEISA-N -1 0 324.410 0.250 50 0 DCAARM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000152456465 186075238 /nfs/dbraw/zinc/07/52/38/186075238.db2.gz KDIMQSOJEDWPCE-MNOVXSKESA-N -1 0 315.329 0.995 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000002132260 180911519 /nfs/dbraw/zinc/91/15/19/180911519.db2.gz GHCJCSDJSUYLHP-CYBMUJFWSA-N -1 0 315.329 0.862 50 0 DCAARM O=C([O-])C1=CS[C@@H]2/C(=C\c3cnc4n3CCOC4)C(=O)N12 ZINC000027196434 304035475 /nfs/dbraw/zinc/03/54/75/304035475.db2.gz MTRYCRPKNWRHLE-CPWLGJMPSA-N -1 0 305.315 0.638 50 0 in-vitro DCAARM C[S@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000002875374 180965862 /nfs/dbraw/zinc/96/58/62/180965862.db2.gz OHBLCPSPVBXNBB-MLCYQJTMSA-N -1 0 305.377 0.187 50 0 DCAARM COc1ccc([C@@H](CC(=O)[O-])N2CCS(=O)(=O)CC2)cc1 ZINC000003883260 181052188 /nfs/dbraw/zinc/05/21/88/181052188.db2.gz UIMZKCALBIDFJG-CYBMUJFWSA-N -1 0 313.375 0.941 50 0 DCAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCCC(=O)[O-] ZINC000004062863 181068534 /nfs/dbraw/zinc/06/85/34/181068534.db2.gz ZNZRQBVPDCCSNZ-UHFFFAOYSA-N -1 0 305.286 0.940 50 0 biogenic DCAARM CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004070939 181069447 /nfs/dbraw/zinc/06/94/47/181069447.db2.gz IBEKICGYLZCGQM-VIFPVBQESA-N -1 0 301.320 0.599 50 0 DCAARM CCCc1nc(SCC(=O)[O-])c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004139010 181077960 /nfs/dbraw/zinc/07/79/60/181077960.db2.gz WDSHYTDOZHDPLI-UHFFFAOYSA-N -1 0 324.362 0.156 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000237151345 202168119 /nfs/dbraw/zinc/16/81/19/202168119.db2.gz QIKHHPQGCHYKLN-NSHDSACASA-N -1 0 312.272 0.861 50 0 DCAARM CCCN1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C(C)(C)C1=O ZINC000263449145 283347421 /nfs/dbraw/zinc/34/74/21/283347421.db2.gz RXGWGRNOAFBGHC-UHFFFAOYSA-N -1 0 320.349 0.648 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000237526833 202271246 /nfs/dbraw/zinc/27/12/46/202271246.db2.gz YKEMDUFCMRANCV-PRHODGIISA-N -1 0 322.283 0.720 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000237660523 202321202 /nfs/dbraw/zinc/32/12/02/202321202.db2.gz BRRIQGUTDIIAPX-CQSZACIVSA-N -1 0 301.306 0.599 50 0 DCAARM Cc1cc(C)n2nc(CC(=O)N3CC[C@](C)(C(=O)[O-])C3)nc2n1 ZINC000237714533 202335927 /nfs/dbraw/zinc/33/59/27/202335927.db2.gz PAXUVVUBAHUHCT-HNNXBMFYSA-N -1 0 317.349 0.607 50 0 DCAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237738567 202342474 /nfs/dbraw/zinc/34/24/74/202342474.db2.gz WRISOOUTVWNZFB-SSDOTTSWSA-N -1 0 307.335 0.926 50 0 DCAARM Cc1ccc(-c2nnn(CC(=O)N3CCC[C@H]3C(=O)[O-])n2)cc1 ZINC000237812277 202361677 /nfs/dbraw/zinc/36/16/77/202361677.db2.gz UTGXBQLUCXDQLV-LBPRGKRZSA-N -1 0 315.333 0.724 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000268883870 238252333 /nfs/dbraw/zinc/25/23/33/238252333.db2.gz AMRMHRVWAMWUAN-NSHDSACASA-N -1 0 324.333 0.188 50 0 DCAARM COc1ccc(F)c(F)c1-c1cn(Cc2n[nH]c(=O)[n-]2)nn1 ZINC000091391464 193050343 /nfs/dbraw/zinc/05/03/43/193050343.db2.gz VVCBWKVPWIGPIS-UHFFFAOYSA-N -1 0 308.248 0.692 50 0 DCAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1cc[nH]n1)CC2 ZINC000091635532 193083238 /nfs/dbraw/zinc/08/32/38/193083238.db2.gz UXCJFPSPQNGGBI-GFCCVEGCSA-N -1 0 320.349 0.338 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cccnn1)CC2 ZINC000092001509 193139989 /nfs/dbraw/zinc/13/99/89/193139989.db2.gz IHTPGKFYSRZRRK-JTQLQIEISA-N -1 0 318.333 0.014 50 0 DCAARM COc1ccc(CCN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1OC ZINC000096221929 193589332 /nfs/dbraw/zinc/58/93/32/193589332.db2.gz GANOJBINRTVSHX-JTQLQIEISA-N -1 0 322.317 0.641 50 0 biogenic DCAARM COC(=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000008131828 181528781 /nfs/dbraw/zinc/52/87/81/181528781.db2.gz DKTKICDBZFEUAI-UHFFFAOYSA-N -1 0 300.336 0.351 50 0 DCAARM CCOC(=O)c1cnc(NC(=O)N(C)CCc2noc(C)n2)[n-]1 ZINC000023542251 182363247 /nfs/dbraw/zinc/36/32/47/182363247.db2.gz UTRMNJUTATXTAC-UHFFFAOYSA-N -1 0 322.325 0.984 50 0 DCAARM CCOc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100052825 193793477 /nfs/dbraw/zinc/79/34/77/193793477.db2.gz ABJLXTGNYKZUFN-WDEREUQCSA-N -1 0 317.301 0.076 50 0 DCAARM Cc1cccc2c1ccn2CC(=O)NCC(=O)NCC(=O)[O-] ZINC000040309051 183053295 /nfs/dbraw/zinc/05/32/95/183053295.db2.gz WYBSDMMWYNLRDE-UHFFFAOYSA-N -1 0 303.318 0.267 50 0 biogenic DCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCCn1cnnn1 ZINC000299760851 304206324 /nfs/dbraw/zinc/20/63/24/304206324.db2.gz XVRFNIIGDCTGIA-CYBMUJFWSA-N -1 0 315.333 0.491 50 0 DCAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1noc2c1CCCC2 ZINC000157853766 197220420 /nfs/dbraw/zinc/22/04/20/197220420.db2.gz BSJTZORYFDNKEG-SECBINFHSA-N -1 0 314.363 0.650 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N(Cc1ccccn1)C1CC1 ZINC000061511049 184171670 /nfs/dbraw/zinc/17/16/70/184171670.db2.gz RIAFMBOMYOLQNV-UHFFFAOYSA-N -1 0 300.318 0.535 50 0 DCAARM CN1CC(=O)N(c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)C1=O ZINC000065465276 184350191 /nfs/dbraw/zinc/35/01/91/184350191.db2.gz PVBCNNOWNLSFFG-SECBINFHSA-N -1 0 317.301 0.523 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000269040252 256624698 /nfs/dbraw/zinc/62/46/98/256624698.db2.gz QDNNJKSNFFPOFJ-OAHLLOKOSA-N -1 0 305.334 0.792 50 0 DCAARM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CCN(C)CC1 ZINC000426491073 257248587 /nfs/dbraw/zinc/24/85/87/257248587.db2.gz QBEXVIIKKWNRIU-CYBMUJFWSA-N -1 0 311.426 0.916 50 0 DCAARM CCc1cc(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@@H]2C)cc(=O)[nH]1 ZINC000426443023 257250146 /nfs/dbraw/zinc/25/01/46/257250146.db2.gz ALZWHXPSHCRXCV-VIFPVBQESA-N -1 0 321.333 0.107 50 0 DCAARM COc1cccc(CN2CCN(C(=O)NCC(=O)[O-])CC2)c1 ZINC000426381380 257252108 /nfs/dbraw/zinc/25/21/08/257252108.db2.gz AXFRIKLQXFNYOS-UHFFFAOYSA-N -1 0 307.350 0.607 50 0 DCAARM Cn1ccnc1CN1CCN(C(=O)NCCCC(=O)[O-])CC1 ZINC000426397680 257252785 /nfs/dbraw/zinc/25/27/85/257252785.db2.gz ZHUVGCDZXDYHJO-UHFFFAOYSA-N -1 0 309.370 0.112 50 0 DCAARM CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2n[nH]c(=O)[n-]2)C1(C)C ZINC000219820027 285579594 /nfs/dbraw/zinc/57/95/94/285579594.db2.gz XOYOMLAEIDPBDW-PSLIRLAXSA-N -1 0 323.397 0.293 50 0 DCAARM CCC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000011867194 395686908 /nfs/dbraw/zinc/68/69/08/395686908.db2.gz MQPDOBWHEPPDPH-LBPRGKRZSA-N -1 0 318.333 0.551 50 0 DCAARM C[C@H](NC(=O)CSc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000011867341 395686954 /nfs/dbraw/zinc/68/69/54/395686954.db2.gz WYRYUALMIIJFCX-ZETCQYMHSA-N -1 0 307.331 0.605 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCO1 ZINC000013455982 395688572 /nfs/dbraw/zinc/68/85/72/395688572.db2.gz PQUPBINBQODQSO-MRVPVSSYSA-N -1 0 301.320 0.500 50 0 DCAARM O=C([O-])C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 ZINC000013654234 395688766 /nfs/dbraw/zinc/68/87/66/395688766.db2.gz ZKTJDUGSJLHCFR-UHFFFAOYSA-N -1 0 315.329 0.789 50 0 DCAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(N)=O)cc2)no1 ZINC000013735466 395688985 /nfs/dbraw/zinc/68/89/85/395688985.db2.gz FMEJPXHVTAEELT-UHFFFAOYSA-N -1 0 324.318 0.208 50 0 DCAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]C[C@H]3CCCO3)nc2n1 ZINC000015107998 395689801 /nfs/dbraw/zinc/68/98/01/395689801.db2.gz PLYSOFVUSXQBKT-SNVBAGLBSA-N -1 0 311.367 0.198 50 0 DCAARM Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c(C)c1 ZINC000002638913 395681696 /nfs/dbraw/zinc/68/16/96/395681696.db2.gz XRCFYLHXXLSTTD-SNVBAGLBSA-N -1 0 314.363 0.300 50 0 DCAARM CN1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000007016268 395683219 /nfs/dbraw/zinc/68/32/19/395683219.db2.gz VAROPFJZCJJKST-UHFFFAOYSA-N -1 0 300.336 0.027 50 0 DCAARM O=C([O-])/C=C\C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000031977415 395709128 /nfs/dbraw/zinc/70/91/28/395709128.db2.gz KRPLPSOMXIAUNM-ARJAWSKDSA-N -1 0 318.329 0.700 50 0 DCAARM CCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OC ZINC000097212490 395756019 /nfs/dbraw/zinc/75/60/19/395756019.db2.gz MKZIQNQHAQHYDI-JTQLQIEISA-N -1 0 311.363 0.571 50 0 DCAARM CCOc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100052822 395762648 /nfs/dbraw/zinc/76/26/48/395762648.db2.gz ABJLXTGNYKZUFN-MNOVXSKESA-N -1 0 317.301 0.076 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000101019893 395763807 /nfs/dbraw/zinc/76/38/07/395763807.db2.gz UZPWBSVAGQUZSZ-ONGXEEELSA-N -1 0 316.273 0.379 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000049544972 395832649 /nfs/dbraw/zinc/83/26/49/395832649.db2.gz LQIMKNVYOQYREQ-ZDUSSCGKSA-N -1 0 303.318 0.622 50 0 DCAARM CCC(CC)n1c(=O)n(C[C@@H](O)CO)c2cc(C(=O)[O-])cnc21 ZINC000055212041 395914404 /nfs/dbraw/zinc/91/44/04/395914404.db2.gz CXDCFWYMEXWNMQ-LLVKDONJSA-N -1 0 323.349 0.611 50 0 DCAARM O=C([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000238189450 395922739 /nfs/dbraw/zinc/92/27/39/395922739.db2.gz DPTXFGJJJUICPW-LBPRGKRZSA-N -1 0 316.313 0.822 50 0 DCAARM CC(=O)NCC(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1 ZINC000067692838 396031251 /nfs/dbraw/zinc/03/12/51/396031251.db2.gz CHJHKQIYESCPMH-UHFFFAOYSA-N -1 0 320.349 0.012 50 0 DCAARM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccon2)C1(C)C ZINC000158986655 396065691 /nfs/dbraw/zinc/06/56/91/396065691.db2.gz RGZVXNBCUQHPLW-WDEREUQCSA-N -1 0 314.363 0.872 50 0 DCAARM O=C(Nc1[n-]c(=O)ncc1F)c1cnn(-c2ccc(F)cc2)n1 ZINC000170605928 396095361 /nfs/dbraw/zinc/09/53/61/396095361.db2.gz ZHZKEFQFWUZRMQ-UHFFFAOYSA-N -1 0 318.243 0.881 50 0 DCAARM Cc1c(C(=O)[N-]S(C)(=O)=O)nnn1-c1ccccc1Cl ZINC000072271100 396128925 /nfs/dbraw/zinc/12/89/25/396128925.db2.gz JCDKLDIQVUJBSU-UHFFFAOYSA-N -1 0 314.754 0.919 50 0 DCAARM O=C([O-])[C@@]12CN(CC3CC3)C(=O)[C@@H]1CN(C(=O)C1CCCC1)C2 ZINC000072447887 396131467 /nfs/dbraw/zinc/13/14/67/396131467.db2.gz JIQIXMKCXNGQBF-SUMWQHHRSA-N -1 0 320.389 0.958 50 0 DCAARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000261931533 396080828 /nfs/dbraw/zinc/08/08/28/396080828.db2.gz JQCAVYHSFZYPBB-MFKMUULPSA-N -1 0 304.302 0.638 50 0 DCAARM CN1CC[C@@H](C(=O)NCc2cccc(OCC(=O)[O-])c2)CC1=O ZINC000262755976 396179576 /nfs/dbraw/zinc/17/95/76/396179576.db2.gz KXDNQCPNPNLTFJ-GFCCVEGCSA-N -1 0 320.345 0.635 50 0 DCAARM Cc1ccc2ncc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c(=O)n2c1 ZINC000178265331 396192045 /nfs/dbraw/zinc/19/20/45/396192045.db2.gz KGWXNAJZGRGKBJ-SNVBAGLBSA-N -1 0 301.302 0.550 50 0 DCAARM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC000183441305 396269937 /nfs/dbraw/zinc/26/99/37/396269937.db2.gz AVIZVCPGVVQAAS-QWRGUYRKSA-N -1 0 320.397 0.553 50 0 DCAARM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(F)cc2[O-])C1 ZINC000269733895 396440614 /nfs/dbraw/zinc/44/06/14/396440614.db2.gz XHPVPSYUJOSEOJ-SECBINFHSA-N -1 0 316.354 0.672 50 0 DCAARM CCC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000263347971 158874246 /nfs/dbraw/zinc/87/42/46/158874246.db2.gz PATNURHOJYTUIR-SRVKXCTJSA-N -1 0 311.382 0.750 50 0 DCAARM CCc1cc(N2CCC[C@H](NC(=O)[C@H](C)C(=O)[O-])C2)ncn1 ZINC000263545321 158885739 /nfs/dbraw/zinc/88/57/39/158885739.db2.gz GMOPLOZECFNYTI-JQWIXIFHSA-N -1 0 306.366 0.845 50 0 DCAARM COCCN1C(=O)C[C@@](CC(=O)[O-])(c2ccccc2OC)C1=O ZINC000299757602 292518291 /nfs/dbraw/zinc/51/82/91/292518291.db2.gz HIUGDGQHWDMCJX-MRXNPFEDSA-N -1 0 321.329 0.813 50 0 DCAARM CCOC(=O)c1cnn(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020614457 415153745 /nfs/dbraw/zinc/15/37/45/415153745.db2.gz ZPNHIBJBHYJQIB-UHFFFAOYSA-N -1 0 321.293 0.281 50 0 DCAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-n2cncn2)nc1 ZINC000026542551 415167659 /nfs/dbraw/zinc/16/76/59/415167659.db2.gz DZOYVBPGNXLTAX-UHFFFAOYSA-N -1 0 319.350 0.803 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)o1 ZINC000269028671 415248714 /nfs/dbraw/zinc/24/87/14/415248714.db2.gz LSPDQXNUVWCUEP-LBPRGKRZSA-N -1 0 316.335 0.125 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000153087173 415975044 /nfs/dbraw/zinc/97/50/44/415975044.db2.gz NMPDNHBEXOLZIG-CQSZACIVSA-N -1 0 310.325 0.742 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000299751670 416063867 /nfs/dbraw/zinc/06/38/67/416063867.db2.gz RGKLWXMPJCETPV-GFCCVEGCSA-N -1 0 320.345 0.696 50 0 DCAARM Cc1c(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)ccn1C ZINC000299777040 416067960 /nfs/dbraw/zinc/06/79/60/416067960.db2.gz NKFTUOZWYSXTBH-CMPLNLGQSA-N -1 0 317.349 0.782 50 0 DCAARM COCCN1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1=O ZINC000170581171 416028023 /nfs/dbraw/zinc/02/80/23/416028023.db2.gz JJURPENAYORRFM-TZMCWYRMSA-N -1 0 320.345 0.423 50 0 DCAARM COCCN1C[C@@H](CNC(=O)c2cccc(F)c2[O-])CC1=O ZINC000216392511 416327473 /nfs/dbraw/zinc/32/74/73/416327473.db2.gz MGSJHLLUZGSGIF-SNVBAGLBSA-N -1 0 310.325 0.756 50 0 DCAARM C[C@@H]1CN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C[C@]1(C)O ZINC000091650325 296919886 /nfs/dbraw/zinc/91/98/86/296919886.db2.gz LMYITMUDTQSWIN-HWPZZCPQSA-N -1 0 317.345 0.586 50 0 DCAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000492114523 287565241 /nfs/dbraw/zinc/56/52/41/287565241.db2.gz ATXXXDIANTWQOI-LLPBQKLSSA-N -1 0 318.329 0.371 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 ZINC000299752546 229395895 /nfs/dbraw/zinc/39/58/95/229395895.db2.gz UNXCCRNFURWNPG-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CS2 ZINC000262902386 297934365 /nfs/dbraw/zinc/93/43/65/297934365.db2.gz BPRGBEVOBWPNBE-ISVAXAHUSA-N -1 0 324.362 0.360 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC000269085119 298208073 /nfs/dbraw/zinc/20/80/73/298208073.db2.gz LVLDOELZYCMONB-IRUJWGPZSA-N -1 0 322.365 0.261 50 0 DCAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000261766793 300648132 /nfs/dbraw/zinc/64/81/32/300648132.db2.gz QIGRTSHDCPRYII-MFKMUULPSA-N -1 0 321.329 0.965 50 0 DCAARM COc1ccc(/C=C/CN2CCN(CC(=O)[O-])C(=O)C2)cc1 ZINC000534670956 334320690 /nfs/dbraw/zinc/32/06/90/334320690.db2.gz YEFGCHWOSDQRAD-NSCUHMNNSA-N -1 0 304.346 0.937 50 0 DCAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000261676603 545976997 /nfs/dbraw/zinc/97/69/97/545976997.db2.gz HQMQLXIYIDTYAV-PGUXBMHVSA-N -1 0 321.329 0.917 50 0 DCAARM CN1CCO[C@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000888095929 661170146 /nfs/dbraw/zinc/17/01/46/661170146.db2.gz FKVJPOOJBPYVHF-KBPBESRZSA-N -1 0 304.346 0.930 50 0 DCAARM CC[C@@](CNC(=O)[C@@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000263104709 662632859 /nfs/dbraw/zinc/63/28/59/662632859.db2.gz WSLNVNILQKUUGL-BBRMVZONSA-N -1 0 307.346 0.951 50 0 DCAARM COc1ccc2c([O-])nn(S(=O)(=O)C[C@H](C)OC)c2c1 ZINC000585086386 662948190 /nfs/dbraw/zinc/94/81/90/662948190.db2.gz PSMPQDGTZRDQEB-QMMMGPOBSA-N -1 0 300.336 0.963 50 0 DCAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)CC1 ZINC000037226270 670262574 /nfs/dbraw/zinc/26/25/74/670262574.db2.gz BEEPDVULJKXZMB-UHFFFAOYSA-N -1 0 312.391 0.883 50 0 DCAARM Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704297191 1179964687 /nfs/dbraw/zinc/96/46/87/1179964687.db2.gz JLBQQBPTKJODLJ-ONGXEEELSA-N -1 0 317.338 0.590 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)cc1C ZINC001704342803 1179980600 /nfs/dbraw/zinc/98/06/00/1179980600.db2.gz DUOPHVIJSPYMDR-QWHCGFSZSA-N -1 0 313.375 0.760 50 0 DCAARM CCn1ccnc1CN1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC001704353890 1179983422 /nfs/dbraw/zinc/98/34/22/1179983422.db2.gz VMAMRCWFONXVBF-NSHDSACASA-N -1 0 306.366 0.458 50 0 DCAARM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)O1 ZINC000585085761 766273394 /nfs/dbraw/zinc/27/33/94/766273394.db2.gz RLLDIJNHTYGFLA-KOLCDFICSA-N -1 0 314.363 0.936 50 0 DCAARM CC[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)O1 ZINC000585085763 766273663 /nfs/dbraw/zinc/27/36/63/766273663.db2.gz RLLDIJNHTYGFLA-ONGXEEELSA-N -1 0 314.363 0.936 50 0 DCAARM CCn1[n-]nnc1=NC(=O)N[C@@H](CCCO)c1ccccc1 ZINC000585119515 766287396 /nfs/dbraw/zinc/28/73/96/766287396.db2.gz JLUKIDBLOQFJGU-LBPRGKRZSA-N -1 0 304.354 0.750 50 0 DCAARM CC(C)O[N-]C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC000952848068 768911005 /nfs/dbraw/zinc/91/10/05/768911005.db2.gz BDULECDHOLPLMI-GXTWGEPZSA-N -1 0 324.352 0.786 50 0 DCAARM CC(C)n1cc(S(=O)(=O)[N-]c2ncccc2C(N)=O)cn1 ZINC000952880926 768947099 /nfs/dbraw/zinc/94/70/99/768947099.db2.gz DZCYAJCMOOLBPK-UHFFFAOYSA-N -1 0 309.351 0.759 50 0 DCAARM Cc1nccn1CC[C@@H]1CCCCN1C(=O)Cn1[n-]nnc1=N ZINC001506419698 1017267286 /nfs/dbraw/zinc/26/72/86/1017267286.db2.gz VJRUFYWDQJXKCG-LBPRGKRZSA-N -1 0 318.385 0.062 50 0 DCAARM COc1ccccc1-n1cc(C(=O)NCC[C@H](O)C(=O)[O-])cn1 ZINC000095525863 185378195 /nfs/dbraw/zinc/37/81/95/185378195.db2.gz OUUVKCVLTCGTNW-LBPRGKRZSA-N -1 0 319.317 0.446 50 0 DCAARM CCS(=O)(=O)N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072440658 191167331 /nfs/dbraw/zinc/16/73/31/191167331.db2.gz JHPNNGWJKXGQTF-UHFFFAOYSA-N -1 0 301.368 0.417 50 0 DCAARM Nc1n[nH]c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1-c1ccccc1 ZINC000072474176 191177771 /nfs/dbraw/zinc/17/77/71/191177771.db2.gz CVUGGNMEHQCCRT-SNVBAGLBSA-N -1 0 316.317 0.585 50 0 DCAARM CCCNC(=O)Cn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000002477405 180926310 /nfs/dbraw/zinc/92/63/10/180926310.db2.gz WZQQOTIVOBPXLC-UHFFFAOYSA-N -1 0 309.347 0.991 50 0 DCAARM NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000262194643 238170833 /nfs/dbraw/zinc/17/08/33/238170833.db2.gz ZDKLOJWPMLHUDO-RKDXNWHRSA-N -1 0 311.363 0.923 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc(=O)[nH]n2)C[C@H]1C1CC1 ZINC000091410696 193051585 /nfs/dbraw/zinc/05/15/85/193051585.db2.gz WOAZQKMGXCHTAG-NWDGAFQWSA-N -1 0 305.334 0.272 50 0 DCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ncccn1)CC2 ZINC000091663151 193086881 /nfs/dbraw/zinc/08/68/81/193086881.db2.gz NSLIIGLWMMZWIY-ZDUSSCGKSA-N -1 0 318.377 0.764 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1c1cccnc1 ZINC000091871327 193121136 /nfs/dbraw/zinc/12/11/36/193121136.db2.gz ZMJYKOWJMIGBCO-QWHCGFSZSA-N -1 0 305.334 0.634 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCc2nc(Cl)n[nH]2)C[C@H]1C1CC1 ZINC000092066158 193151195 /nfs/dbraw/zinc/15/11/95/193151195.db2.gz JMOYNIPSOPTIIQ-DTWKUNHWSA-N -1 0 312.757 0.960 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000268997357 304135705 /nfs/dbraw/zinc/13/57/05/304135705.db2.gz WWCNXBVKWRCGNZ-LBPRGKRZSA-N -1 0 302.286 0.866 50 0 DCAARM Cc1cccc([C@H](NC(=O)CCN2CCOCC2)C(=O)[O-])c1 ZINC000219150213 201550745 /nfs/dbraw/zinc/55/07/45/201550745.db2.gz MHHVJKYAUKGVRW-HNNXBMFYSA-N -1 0 306.362 0.959 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000252499108 202854623 /nfs/dbraw/zinc/85/46/23/202854623.db2.gz RVOPKJQNCMWTBK-NSHDSACASA-N -1 0 307.302 0.660 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N2CC(C(=O)[O-])C2)oc1C ZINC000275156808 212157053 /nfs/dbraw/zinc/15/70/53/212157053.db2.gz TYYRRVHGXXNJIW-UHFFFAOYSA-N -1 0 303.292 0.080 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2 ZINC000100048858 193793745 /nfs/dbraw/zinc/79/37/45/193793745.db2.gz ZXMSFIQJVKQWGR-QWRGUYRKSA-N -1 0 317.301 0.076 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000040309739 183053256 /nfs/dbraw/zinc/05/32/56/183053256.db2.gz PDSMIVLVKOLJLU-UHFFFAOYSA-N -1 0 323.736 0.612 50 0 biogenic DCAARM COc1cc(N)c(-c2nnn(CCCC(=O)[O-])n2)cc1OC ZINC000044965580 183468057 /nfs/dbraw/zinc/46/80/57/183468057.db2.gz KWDZYTYVPNWNAT-UHFFFAOYSA-N -1 0 307.310 0.804 50 0 DCAARM O=C([O-])CCCNC(=O)Cn1nc(-c2ccco2)ccc1=O ZINC000061719782 184185262 /nfs/dbraw/zinc/18/52/62/184185262.db2.gz HKQZDVSCFCZSOA-UHFFFAOYSA-N -1 0 305.290 0.484 50 0 DCAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000062119912 184206850 /nfs/dbraw/zinc/20/68/50/184206850.db2.gz BVGYRPGVMVOUPW-VIFPVBQESA-N -1 0 313.331 0.553 50 0 DCAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cnn(C)c1 ZINC000062640023 184246034 /nfs/dbraw/zinc/24/60/34/184246034.db2.gz WLWDIYNDVNSRDZ-UHFFFAOYSA-N -1 0 300.322 0.554 50 0 DCAARM COc1ccc(OC)c(CC(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000065528380 184360516 /nfs/dbraw/zinc/36/05/16/184360516.db2.gz CBNXPAQCABOXMT-WCQYABFASA-N -1 0 323.345 0.683 50 0 DCAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)Nc3nncn32)c1 ZINC000049551746 304263120 /nfs/dbraw/zinc/26/31/20/304263120.db2.gz HWPZTBAAPWZFPQ-SECBINFHSA-N -1 0 301.262 0.498 50 0 DCAARM COc1ccc([C@H]2[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC(=O)N2C)cc1 ZINC000299740080 533211223 /nfs/dbraw/zinc/21/12/23/533211223.db2.gz VNIWIJPDBCZFQP-BHYNMZESSA-N -1 0 320.345 0.804 50 0 DCAARM Cc1ccc(N2CCN(C(=O)Cc3n[nH]c(=O)[n-]3)CC2)cc1 ZINC000426443066 257250361 /nfs/dbraw/zinc/25/03/61/257250361.db2.gz VQEBPAWLMUMLKR-UHFFFAOYSA-N -1 0 301.350 0.710 50 0 DCAARM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1F ZINC000045796113 257269959 /nfs/dbraw/zinc/26/99/59/257269959.db2.gz BQHVAVXPWVYGMK-UHFFFAOYSA-N -1 0 307.274 0.684 50 0 DCAARM O=C([O-])CNC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O ZINC000071282378 257270268 /nfs/dbraw/zinc/27/02/68/257270268.db2.gz TUMSCAJFTCOWJH-UHFFFAOYSA-N -1 0 321.720 0.765 50 0 DCAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000299749913 533281518 /nfs/dbraw/zinc/28/15/18/533281518.db2.gz LZZAASBPYJJHRU-SMDDNHRTSA-N -1 0 321.329 0.558 50 0 DCAARM Cc1cc(C)n(C[C@@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])n1 ZINC000012397568 395687577 /nfs/dbraw/zinc/68/75/77/395687577.db2.gz GEACJFRCNKASIE-SECBINFHSA-N -1 0 305.338 0.750 50 0 DCAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000020614757 395691383 /nfs/dbraw/zinc/69/13/83/395691383.db2.gz NVXPFQIDCVTFCG-UHFFFAOYSA-N -1 0 315.333 0.476 50 0 DCAARM CCOC(=O)N1CCC(NC(=O)c2nccnc2C(=O)[O-])CC1 ZINC000001032816 395680613 /nfs/dbraw/zinc/68/06/13/395680613.db2.gz RNXPOBPISILJAG-UHFFFAOYSA-N -1 0 322.321 0.526 50 0 DCAARM O=C([O-])C[C@@H](C(=O)OCCc1ccccc1)N1CCOCC1 ZINC000002246388 395681436 /nfs/dbraw/zinc/68/14/36/395681436.db2.gz YZZMAHSMRDHQDU-AWEZNQCLSA-N -1 0 307.346 0.948 50 0 DCAARM CC(C)[C@@H](C(=O)NCC(=O)[O-])n1nnc2ccccc2c1=O ZINC000002357332 395681490 /nfs/dbraw/zinc/68/14/90/395681490.db2.gz DTDWGXPYIGIIHS-LBPRGKRZSA-N -1 0 304.306 0.189 50 0 DCAARM CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1 ZINC000002537685 395681546 /nfs/dbraw/zinc/68/15/46/395681546.db2.gz VJFZGFNBNLBZLA-JTQLQIEISA-N -1 0 301.368 0.697 50 0 DCAARM CC(C)(C)OC(=O)N[C@H](CCCNC(N)=N[N+](=O)[O-])C(=O)[O-] ZINC000002575519 395681703 /nfs/dbraw/zinc/68/17/03/395681703.db2.gz OZSSOVRIEPAIMP-SSDOTTSWSA-N -1 0 319.318 0.050 50 0 in-vitro DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100057859 395762507 /nfs/dbraw/zinc/76/25/07/395762507.db2.gz YMHQMPQRXPUJBL-NXEZZACHSA-N -1 0 321.720 0.720 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(=O)n3nc[n-]c3n2)C1 ZINC000101772716 395767033 /nfs/dbraw/zinc/76/70/33/395767033.db2.gz SXEYJAKYTMOGKL-HNNXBMFYSA-N -1 0 319.365 0.885 50 0 DCAARM O=C([O-])C[N@H+]1CCN(Cc2ccc3c(c2)CCO3)C[C@H](O)C1 ZINC000225324014 395858934 /nfs/dbraw/zinc/85/89/34/395858934.db2.gz XXFLGMLNZABPMD-AWEZNQCLSA-N -1 0 306.362 0.185 50 0 DCAARM COc1cccc(CC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c1 ZINC000219924289 395847275 /nfs/dbraw/zinc/84/72/75/395847275.db2.gz NQICJDTYLYPIOU-CQSZACIVSA-N -1 0 315.329 0.999 50 0 DCAARM C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000051658898 395852898 /nfs/dbraw/zinc/85/28/98/395852898.db2.gz SDBWGGUUTJPGQM-SNVBAGLBSA-N -1 0 316.354 0.605 50 0 DCAARM CCCCn1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1=O ZINC000236727720 395896494 /nfs/dbraw/zinc/89/64/94/395896494.db2.gz CIVJTJQQVCMDCV-HNNXBMFYSA-N -1 0 307.350 0.980 50 0 DCAARM Cn1c(=O)c2ccc(C(=O)NCC3(CO)CC3)cc2[n-]c1=S ZINC000137075964 395950021 /nfs/dbraw/zinc/95/00/21/395950021.db2.gz YUFXLPCHFPNBIR-UHFFFAOYSA-N -1 0 319.386 0.725 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000261747593 396062320 /nfs/dbraw/zinc/06/23/20/396062320.db2.gz ORDZTCRWOIRTAN-WCQYABFASA-N -1 0 324.377 0.480 50 0 DCAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1n[nH]c2c1CCCC2 ZINC000158034079 396064421 /nfs/dbraw/zinc/06/44/21/396064421.db2.gz YBVVHPVJZRYVTO-SECBINFHSA-N -1 0 313.379 0.385 50 0 DCAARM Cc1cc2c(cc1C(=O)N1CCC(O)(C(=O)[O-])CC1)OCCO2 ZINC000071777286 396115442 /nfs/dbraw/zinc/11/54/42/396115442.db2.gz ZKRSUDQGQCFDSO-UHFFFAOYSA-N -1 0 321.329 0.818 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000262310400 396122319 /nfs/dbraw/zinc/12/23/19/396122319.db2.gz NQNIDGDJCAEDAA-SSDOTTSWSA-N -1 0 304.096 0.968 50 0 DCAARM NC(=O)COc1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000261923205 396080495 /nfs/dbraw/zinc/08/04/95/396080495.db2.gz ZSHHGIHBYGFFRY-JTQLQIEISA-N -1 0 306.318 0.488 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)n[n-]1 ZINC000069513158 396081259 /nfs/dbraw/zinc/08/12/59/396081259.db2.gz UGLQUNRRGYXODT-VHSXEESVSA-N -1 0 306.347 0.950 50 0 DCAARM COc1cccc2c1OCC(C(=O)N1CCO[C@H](C(=O)[O-])C1)=C2 ZINC000262906592 396190880 /nfs/dbraw/zinc/19/08/80/396190880.db2.gz CAMRQYDQUZUPFZ-ZDUSSCGKSA-N -1 0 319.313 0.783 50 0 DCAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262916511 396191524 /nfs/dbraw/zinc/19/15/24/396191524.db2.gz DHXVRKWHSVCJIB-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM COc1cc(Cl)c(S(=O)(=O)NCC(=O)[O-])cc1OC ZINC000262960591 396194942 /nfs/dbraw/zinc/19/49/42/396194942.db2.gz WOSWMUBRGRGAEW-UHFFFAOYSA-N -1 0 309.727 0.720 50 0 DCAARM NC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000268918715 415246739 /nfs/dbraw/zinc/24/67/39/415246739.db2.gz RFSSXBFSRTXZKM-MJRJWQSSSA-N -1 0 304.302 0.111 50 0 DCAARM Cc1c(NC(=O)CSc2nnnn2C)cccc1C(=O)[O-] ZINC000067197411 415376597 /nfs/dbraw/zinc/37/65/97/415376597.db2.gz IATYCCIWSYLWBL-UHFFFAOYSA-N -1 0 307.335 0.948 50 0 DCAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000237948176 416329197 /nfs/dbraw/zinc/32/91/97/416329197.db2.gz KMLLBZKIIZWLER-LBPRGKRZSA-N -1 0 302.330 0.769 50 0 DCAARM O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc2n[nH]nc2c1 ZINC000575607714 417541419 /nfs/dbraw/zinc/54/14/19/417541419.db2.gz NWQDMTLMIKMFEJ-UHFFFAOYSA-N -1 0 324.344 0.822 50 0 DCAARM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745523 418049202 /nfs/dbraw/zinc/04/92/02/418049202.db2.gz FOWDQUCFRXYNTI-SECBINFHSA-N -1 0 308.338 0.601 50 0 DCAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000492178362 287569219 /nfs/dbraw/zinc/56/92/19/287569219.db2.gz CZNWTWKDVWAKOZ-LLPBQKLSSA-N -1 0 318.329 0.371 50 0 DCAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nnnn1-c1ccccc1 ZINC000299750751 229392634 /nfs/dbraw/zinc/39/26/34/229392634.db2.gz OGMJPGYQNWTKOG-JMJZKYOTSA-N -1 0 301.306 0.560 50 0 DCAARM CC1(C)CN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)CCO1 ZINC000019792429 281221358 /nfs/dbraw/zinc/22/13/58/281221358.db2.gz AMGTVOQHXRHHBI-UHFFFAOYSA-N -1 0 317.345 0.994 50 0 DCAARM C[C@@H]1Oc2c(cccc2C(=O)N2CCOC[C@H]2C(=O)[O-])NC1=O ZINC000268964807 297650178 /nfs/dbraw/zinc/65/01/78/297650178.db2.gz CDSJLWKZRQITEN-KWQFWETISA-N -1 0 320.301 0.332 50 0 DCAARM Cc1ccccc1[C@@H](C(=O)NCC(=O)NCCC(=O)[O-])N(C)C ZINC000095511475 302113299 /nfs/dbraw/zinc/11/32/99/302113299.db2.gz ACPKZYYHUCNNBM-HNNXBMFYSA-N -1 0 321.377 0.305 50 0 DCAARM Cc1nn(CC(=O)N2CCOC[C@H]2C(=O)[O-])c(C)c1Cl ZINC000299751241 302803400 /nfs/dbraw/zinc/80/34/00/302803400.db2.gz QABPLJNWNGMHRU-VIFPVBQESA-N -1 0 301.730 0.465 50 0 DCAARM Cn1nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1=O ZINC000237728237 303042248 /nfs/dbraw/zinc/04/22/48/303042248.db2.gz XPJQPGDXEUTEFB-DLOVCJGASA-N -1 0 305.334 0.638 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(c1ncnc3c1CCC3)CC2 ZINC000092028473 332117948 /nfs/dbraw/zinc/11/79/48/332117948.db2.gz KIZNYQDYZOOYIV-NSHDSACASA-N -1 0 316.361 0.525 50 0 DCAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262549961 534005640 /nfs/dbraw/zinc/00/56/40/534005640.db2.gz WSYFZTZWGSTZHP-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)o2)C1 ZINC000685941487 548747230 /nfs/dbraw/zinc/74/72/30/548747230.db2.gz XQZXBEUZGKSJGH-YUMQZZPRSA-N -1 0 314.725 0.984 50 0 DCAARM O=C([O-])[C@]1(F)CN(C(=O)C[C@@H]2CCCCO2)CC12COC2 ZINC000888098278 661176792 /nfs/dbraw/zinc/17/67/92/661176792.db2.gz DYKHKWAPYVDJCL-IINYFYTJSA-N -1 0 301.314 0.597 50 0 DCAARM Cc1nn(C)c2nc(C)cc(C(=O)NC[C@](C)(O)C(=O)[O-])c12 ZINC000262558257 662478106 /nfs/dbraw/zinc/47/81/06/662478106.db2.gz VNWDAKAPIUKGHU-AWEZNQCLSA-N -1 0 306.322 0.151 50 0 DCAARM COc1ccc2c(c1)CCC[C@H]2NC(=O)Cn1[n-]nnc1=N ZINC000952966560 685599160 /nfs/dbraw/zinc/59/91/60/685599160.db2.gz IGNAYOHMWZMXHH-GFCCVEGCSA-N -1 0 302.338 0.288 50 0 DCAARM CCc1nc(C)ccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000072457466 685074810 /nfs/dbraw/zinc/07/48/10/685074810.db2.gz BZUPZVVKMBVGFN-ZDUSSCGKSA-N -1 0 308.334 0.643 50 0 DCAARM CNC(=O)c1c(NC(=O)CC(C)(C)CC(=O)[O-])c(C)nn1C ZINC000675027307 748028856 /nfs/dbraw/zinc/02/88/56/748028856.db2.gz BADVDHIBCJPKCJ-UHFFFAOYSA-N -1 0 310.354 0.918 50 0 DCAARM Cc1nc(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])cs1 ZINC000207718901 765747538 /nfs/dbraw/zinc/74/75/38/765747538.db2.gz RIHMNQDPKIZXNN-VIFPVBQESA-N -1 0 314.367 0.012 50 0 DCAARM Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)nc(C)n1 ZINC000584907985 766237308 /nfs/dbraw/zinc/23/73/08/766237308.db2.gz KKAKWGAIBAKGBU-NEPJUHHUSA-N -1 0 304.350 0.463 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cncc(Br)c1 ZINC000088374186 185247565 /nfs/dbraw/zinc/24/75/65/185247565.db2.gz UFRBOUMFTYHHHO-VIFPVBQESA-N -1 0 315.123 0.770 50 0 DCAARM Cn1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1=O ZINC000170626678 197794650 /nfs/dbraw/zinc/79/46/50/197794650.db2.gz WABNCAULTYKRQM-UHFFFAOYSA-N -1 0 308.315 0.884 50 0 DCAARM C[C@@H](c1ccccc1)n1nnnc1N1CCC(O)(C(=O)[O-])CC1 ZINC000071712204 191010526 /nfs/dbraw/zinc/01/05/26/191010526.db2.gz MIJGQZVZLDGSKI-NSHDSACASA-N -1 0 317.349 0.698 50 0 DCAARM CNC(=O)c1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000072401832 191151295 /nfs/dbraw/zinc/15/12/95/191151295.db2.gz FNKPRUSYZQCLFX-UHFFFAOYSA-N -1 0 300.274 0.787 50 0 DCAARM O=C([O-])CCc1cc2n(n1)CCN(CCN1CCCC1=O)C2 ZINC000072412516 191155154 /nfs/dbraw/zinc/15/51/54/191155154.db2.gz IUNGPSGLWSLJDZ-UHFFFAOYSA-N -1 0 306.366 0.338 50 0 DCAARM CC1=NN(CC(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)CC1 ZINC000072477471 191179535 /nfs/dbraw/zinc/17/95/35/191179535.db2.gz DTCIFGKCTQVZGH-UHFFFAOYSA-N -1 0 319.365 0.367 50 0 DCAARM O=C([O-])[C@H]1O[C@@H](Oc2cccc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004099168 181072366 /nfs/dbraw/zinc/07/23/66/181072366.db2.gz KEQWBZWOGRCILF-JHZZJYKESA-N -1 0 320.297 0.111 50 0 in-vitro DCAARM CCOc1cccc(-c2c(C(=O)[O-])nnn2-c2nonc2N)c1 ZINC000005451985 181244924 /nfs/dbraw/zinc/24/49/24/181244924.db2.gz ZDDSZTLHVZFCDU-UHFFFAOYSA-N -1 0 316.277 0.996 50 0 DCAARM CCn1nc(C)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1Cl ZINC000236965342 202097614 /nfs/dbraw/zinc/09/76/14/202097614.db2.gz GCBLGLFWASFKGA-QMMMGPOBSA-N -1 0 301.730 0.790 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1 ZINC000238053746 202430962 /nfs/dbraw/zinc/43/09/62/202430962.db2.gz VTNHTWIVCIRFQC-LBPRGKRZSA-N -1 0 303.318 0.738 50 0 DCAARM COc1ccc(-n2cnc3c2ncn(CC(=O)[O-])c3=O)cc1 ZINC000012394753 181756561 /nfs/dbraw/zinc/75/65/61/181756561.db2.gz LSFCIDAFGLNMTC-UHFFFAOYSA-N -1 0 300.274 0.675 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3CC)c(=O)c1-2 ZINC000018168025 182095874 /nfs/dbraw/zinc/09/58/74/182095874.db2.gz LEYBITBXYNKQLF-VXGBXAGGSA-N -1 0 315.329 0.629 50 0 DCAARM CCn1cc(CN(C)C(=O)c2nn(C)cc2C(=O)[O-])c(C)n1 ZINC000020319268 182206414 /nfs/dbraw/zinc/20/64/14/182206414.db2.gz LSSFECKPILHKLB-UHFFFAOYSA-N -1 0 305.338 0.915 50 0 DCAARM CC(C)[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000032077297 182633410 /nfs/dbraw/zinc/63/34/10/182633410.db2.gz VNECGDXUFNPBGK-OAHLLOKOSA-N -1 0 320.393 0.429 50 0 DCAARM CCn1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036610996 182827562 /nfs/dbraw/zinc/82/75/62/182827562.db2.gz OVCJFJRQNKVWEB-RKDXNWHRSA-N -1 0 306.322 0.607 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000262747778 304200701 /nfs/dbraw/zinc/20/07/01/304200701.db2.gz IEAXXKRXABZSKF-LLVKDONJSA-N -1 0 302.290 0.193 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N(Cc1cccnc1)C1CC1 ZINC000061074608 184161566 /nfs/dbraw/zinc/16/15/66/184161566.db2.gz DZWPVKWLSPSSAW-UHFFFAOYSA-N -1 0 300.318 0.535 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@H]1Cc1ccccc1 ZINC000065565523 184367202 /nfs/dbraw/zinc/36/72/02/184367202.db2.gz MHWGGEIROSCLRI-AWEZNQCLSA-N -1 0 313.357 0.770 50 0 DCAARM Cc1cc(C)n(CC(=O)N(CCC(=O)[O-])C2CCOCC2)n1 ZINC000237846255 257238270 /nfs/dbraw/zinc/23/82/70/257238270.db2.gz CIFSMMDGEVYGLJ-UHFFFAOYSA-N -1 0 309.366 0.982 50 0 DCAARM CCC[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000036837061 257240038 /nfs/dbraw/zinc/24/00/38/257240038.db2.gz VQQUVFXIDAQGBR-UWVGGRQHSA-N -1 0 306.384 0.170 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)C1CC=CC1)CC2 ZINC000426535935 257248025 /nfs/dbraw/zinc/24/80/25/257248025.db2.gz RNCNVPMNKZCXMH-LBPRGKRZSA-N -1 0 306.362 0.877 50 0 DCAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000299749912 533284915 /nfs/dbraw/zinc/28/49/15/533284915.db2.gz LZZAASBPYJJHRU-RISCZKNCSA-N -1 0 321.329 0.558 50 0 DCAARM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc(OC)c1C ZINC000299745499 533522698 /nfs/dbraw/zinc/52/26/98/533522698.db2.gz ZQPDWAIFEKXMGS-LLVKDONJSA-N -1 0 309.318 0.938 50 0 DCAARM CO[N-]C(=O)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000012999502 395688246 /nfs/dbraw/zinc/68/82/46/395688246.db2.gz ZBIVIFCXEPOPCF-NSHDSACASA-N -1 0 311.363 0.427 50 0 DCAARM C/C=C/Cn1c(S[C@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000013739052 395688905 /nfs/dbraw/zinc/68/89/05/395688905.db2.gz GANBFBUAXVBOMI-SMMXGFFBSA-N -1 0 324.362 0.565 50 0 DCAARM CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000005553911 395682709 /nfs/dbraw/zinc/68/27/09/395682709.db2.gz JMLNAYZIFSGIBV-UHFFFAOYSA-N -1 0 312.347 0.238 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088375103 395707458 /nfs/dbraw/zinc/70/74/58/395707458.db2.gz JCYYVDHWWUKKNA-HMDXOVGESA-N -1 0 313.741 0.707 50 0 DCAARM COC(=O)c1nc(-c2ccc(OC)c(OC)c2)[nH]c(=O)c1[O-] ZINC000033268121 395716941 /nfs/dbraw/zinc/71/69/41/395716941.db2.gz VOAUPTSEQGHDHZ-UHFFFAOYSA-N -1 0 306.274 0.946 50 0 DCAARM COCCN1C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1=O ZINC000033449897 395717098 /nfs/dbraw/zinc/71/70/98/395717098.db2.gz HFAOQWIGEVTKAR-WDEREUQCSA-N -1 0 300.355 0.097 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2 ZINC000100061342 395762599 /nfs/dbraw/zinc/76/25/99/395762599.db2.gz IUVQLEITIGXDTB-VHSXEESVSA-N -1 0 305.265 0.206 50 0 DCAARM CCCCc1c(C)nc2[n-]c(C(=O)N3CCOCC3)nn2c1=O ZINC000101410682 395764282 /nfs/dbraw/zinc/76/42/82/395764282.db2.gz JPMHPBJMMPPOTM-UHFFFAOYSA-N -1 0 319.365 0.541 50 0 DCAARM Cn1nnc(-c2ccc(OCC(=O)NCCCC(=O)[O-])cc2)n1 ZINC000218132365 395841236 /nfs/dbraw/zinc/84/12/36/395841236.db2.gz CERUSCZHKLRDJM-UHFFFAOYSA-N -1 0 319.321 0.237 50 0 DCAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CN1CSCC1=O ZINC000050921868 395843118 /nfs/dbraw/zinc/84/31/18/395843118.db2.gz UMYYXQYITKADBT-SNVBAGLBSA-N -1 0 300.380 0.765 50 0 DCAARM C[C@H](C(=O)[N-]S(=O)(=O)C1CCC1)N(C)CC(F)(F)F ZINC000225603640 395862292 /nfs/dbraw/zinc/86/22/92/395862292.db2.gz SGTZPTDRYGSKGJ-SSDOTTSWSA-N -1 0 302.318 0.868 50 0 DCAARM COc1cc(C=NNc2n[nH]c(=O)[n-]c2=O)cc(OC)c1OC ZINC000254742558 396032151 /nfs/dbraw/zinc/03/21/51/396032151.db2.gz IMGLUGATTRLUCE-UHFFFAOYSA-N -1 0 321.293 0.755 50 0 DCAARM O=C(CCCN1CCCCC1=O)N1CCC(c2nnn[n-]2)CC1 ZINC000252485523 396020858 /nfs/dbraw/zinc/02/08/58/396020858.db2.gz GXPDMKUXZHTUIP-UHFFFAOYSA-N -1 0 320.397 0.698 50 0 DCAARM CCCCNC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000071770859 396114066 /nfs/dbraw/zinc/11/40/66/396114066.db2.gz SDSIXAOIDRCIHR-NQMVMOMDSA-N -1 0 315.395 0.601 50 0 DCAARM Cc1cccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)[C@H](C)C2)n1 ZINC000072285289 396130160 /nfs/dbraw/zinc/13/01/60/396130160.db2.gz AWFHODQSMKMFFX-SNVBAGLBSA-N -1 0 302.338 0.565 50 0 DCAARM C[C@@H]1CN(C(=O)CCOc2ccc(C(N)=O)cc2)C[C@H]1C(=O)[O-] ZINC000263275041 396211323 /nfs/dbraw/zinc/21/13/23/396211323.db2.gz WNZMAVADEVHCPX-ZWNOBZJWSA-N -1 0 320.345 0.734 50 0 DCAARM CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000262875240 396189417 /nfs/dbraw/zinc/18/94/17/396189417.db2.gz YEYURHYGHPOLDW-SECBINFHSA-N -1 0 314.363 0.329 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)CCO1 ZINC000263056790 396199638 /nfs/dbraw/zinc/19/96/38/396199638.db2.gz XOBWMUVQHBECRI-CYBMUJFWSA-N -1 0 316.317 0.252 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])oc1C ZINC000270416597 396465614 /nfs/dbraw/zinc/46/56/14/396465614.db2.gz DLKMMZJSMYBXDQ-LURJTMIESA-N -1 0 305.308 0.516 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)CCO1 ZINC000314797358 396786203 /nfs/dbraw/zinc/78/62/03/396786203.db2.gz DCHLLBKNRPTIHC-ZDUSSCGKSA-N -1 0 303.270 0.719 50 0 DCAARM COc1cccc(C[C@@H](NC(=O)[C@@H]2COCCO2)C(=O)[O-])c1 ZINC000630240997 396969389 /nfs/dbraw/zinc/96/93/89/396969389.db2.gz CIPOJYIGDZHULH-OLZOCXBDSA-N -1 0 309.318 0.223 50 0 DCAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000630247789 396969416 /nfs/dbraw/zinc/96/94/16/396969416.db2.gz BFGHPXADYMADTN-NHYWBVRUSA-N -1 0 312.366 0.193 50 0 DCAARM COc1cccc(C[C@@H](NC(=O)[C@H]2COCCO2)C(=O)[O-])c1 ZINC000630240995 396968672 /nfs/dbraw/zinc/96/86/72/396968672.db2.gz CIPOJYIGDZHULH-CHWSQXEVSA-N -1 0 309.318 0.223 50 0 DCAARM NC(=O)[C@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCO1 ZINC000606441952 397681143 /nfs/dbraw/zinc/68/11/43/397681143.db2.gz RFSSXBFSRTXZKM-GCLPIYDQSA-N -1 0 304.302 0.111 50 0 DCAARM CCNC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000048302791 415292742 /nfs/dbraw/zinc/29/27/42/415292742.db2.gz LAAKPNBBHILKER-UHFFFAOYSA-N -1 0 306.347 0.864 50 0 DCAARM CS(=O)(=O)N1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000059880612 415342083 /nfs/dbraw/zinc/34/20/83/415342083.db2.gz OUQBKDAELWWCIM-UHFFFAOYSA-N -1 0 312.347 0.102 50 0 DCAARM CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000071328824 415407474 /nfs/dbraw/zinc/40/74/74/415407474.db2.gz KMDBBNZERDRWSW-CQSZACIVSA-N -1 0 307.350 0.348 50 0 DCAARM Cn1ccnc1CN1CCN([C@@H](C(=O)[O-])c2ccoc2)CC1 ZINC000095353413 415555648 /nfs/dbraw/zinc/55/56/48/415555648.db2.gz NETGVGVYOVLVII-CQSZACIVSA-N -1 0 304.350 0.957 50 0 DCAARM Cc1ncsc1CCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000095382539 415557990 /nfs/dbraw/zinc/55/79/90/415557990.db2.gz FFHQYLKCTVVCLH-SNVBAGLBSA-N -1 0 308.363 0.919 50 0 DCAARM COC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000103689114 415620134 /nfs/dbraw/zinc/62/01/34/415620134.db2.gz KXUSPQFFWBKDKA-QMMMGPOBSA-N -1 0 306.771 0.964 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)CCO1 ZINC000345972867 416178934 /nfs/dbraw/zinc/17/89/34/416178934.db2.gz XEYKGUYZEKEUEV-AWEZNQCLSA-N -1 0 320.345 0.449 50 0 DCAARM Cn1nnc2cc(C(=O)N(CC(=O)[O-])C3CCOCC3)ccc21 ZINC000532260047 417670507 /nfs/dbraw/zinc/67/05/07/417670507.db2.gz PHKVNWMEHVIJOH-UHFFFAOYSA-N -1 0 318.333 0.674 50 0 DCAARM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663091319 417988916 /nfs/dbraw/zinc/98/89/16/417988916.db2.gz JZURLBVNPPCPIM-QWHCGFSZSA-N -1 0 320.345 0.924 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)COc2ccc(CC(N)=O)cc2)C1 ZINC000299744770 229384741 /nfs/dbraw/zinc/38/47/41/229384741.db2.gz PTYLTDMRPPRDJH-MRXNPFEDSA-N -1 0 320.345 0.416 50 0 DCAARM COCCC(=O)N1CCC(NC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000262758776 261167407 /nfs/dbraw/zinc/16/74/07/261167407.db2.gz KDTMKINRSQNJLL-UHFFFAOYSA-N -1 0 324.333 0.735 50 0 DCAARM CC(=O)Nc1ccc(F)c(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000262840848 278198441 /nfs/dbraw/zinc/19/84/41/278198441.db2.gz ZQPQMZVYNJPQDT-GFCCVEGCSA-N -1 0 310.281 0.710 50 0 DCAARM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)[O-])CCS2(=O)=O ZINC000072267138 278380430 /nfs/dbraw/zinc/38/04/30/278380430.db2.gz DCZLIUMJKVXWOR-MRVPVSSYSA-N -1 0 305.352 0.495 50 0 DCAARM CC(C)(CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000127003908 278618522 /nfs/dbraw/zinc/61/85/22/278618522.db2.gz OZHZBDLAQWQXME-VIFPVBQESA-N -1 0 306.384 0.028 50 0 DCAARM CO[N-]C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000025823851 293372013 /nfs/dbraw/zinc/37/20/13/293372013.db2.gz FZXPHCDVZRQVNP-OAHLLOKOSA-N -1 0 303.318 0.448 50 0 DCAARM CO[N-]C(=O)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000097212487 293375839 /nfs/dbraw/zinc/37/58/39/293375839.db2.gz JJOAFGLSWPSTQG-SNVBAGLBSA-N -1 0 309.347 0.278 50 0 DCAARM C[C@@H]1Oc2c(cccc2C(=O)N2CCOC[C@@H]2C(=O)[O-])NC1=O ZINC000268964805 297650249 /nfs/dbraw/zinc/65/02/49/297650249.db2.gz CDSJLWKZRQITEN-GZMMTYOYSA-N -1 0 320.301 0.332 50 0 DCAARM Cn1nnc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)n1 ZINC000426649728 303104780 /nfs/dbraw/zinc/10/47/80/303104780.db2.gz QPPJRDZATLOLAN-GFCCVEGCSA-N -1 0 315.333 0.956 50 0 DCAARM CC(=O)N1CCO[C@H](CNc2nc(C)[n-]c(=O)c2Cl)C1 ZINC000534590190 334293935 /nfs/dbraw/zinc/29/39/35/334293935.db2.gz ZDNJZVAMGACZFZ-SECBINFHSA-N -1 0 300.746 0.803 50 0 DCAARM O=c1cc(CSc2n[nH]c(=O)[n-]c2=O)nc2ccccn12 ZINC000071405405 337366832 /nfs/dbraw/zinc/36/68/32/337366832.db2.gz ZCELNZVYIPGPML-UHFFFAOYSA-N -1 0 303.303 0.171 50 0 DCAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCS1(=O)=O ZINC000577231214 341899176 /nfs/dbraw/zinc/89/91/76/341899176.db2.gz HDWHCJKMGNDFNH-QWRGUYRKSA-N -1 0 319.379 0.046 50 0 DCAARM Cc1oc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000268955568 534537612 /nfs/dbraw/zinc/53/76/12/534537612.db2.gz XPACHTMZVIOLHG-MRVPVSSYSA-N -1 0 316.335 0.172 50 0 DCAARM CN(CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)S(C)(=O)=O ZINC000262833394 522450900 /nfs/dbraw/zinc/45/09/00/522450900.db2.gz RXVLTNRYHHPONY-JTQLQIEISA-N -1 0 312.347 0.093 50 0 DCAARM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCc2nc3cc(F)ccc3[nH]2)O1 ZINC000189021754 526328321 /nfs/dbraw/zinc/32/83/21/526328321.db2.gz FGIKIECWXCALSU-NWDGAFQWSA-N -1 0 321.308 0.993 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000299749831 526677855 /nfs/dbraw/zinc/67/78/55/526677855.db2.gz LUZWUQVOFDDSLN-CYBMUJFWSA-N -1 0 322.386 0.965 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc21 ZINC000261829081 527020279 /nfs/dbraw/zinc/02/02/79/527020279.db2.gz OCXMEYULRZVSTQ-JTQLQIEISA-N -1 0 303.318 0.803 50 0 DCAARM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(F)cc1 ZINC000666078042 546423236 /nfs/dbraw/zinc/42/32/36/546423236.db2.gz WPKNMDWRYLBXOS-NSHDSACASA-N -1 0 315.322 0.078 50 0 DCAARM CC[C@H](C)[C@H](NS(=O)(=O)CC1(OC)CCOCC1)C(=O)[O-] ZINC000888097301 661176443 /nfs/dbraw/zinc/17/64/43/661176443.db2.gz BTWGSQGWNPWXLB-QWRGUYRKSA-N -1 0 323.411 0.601 50 0 DCAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@H](C)N1CCCC1=O ZINC000065453352 685064907 /nfs/dbraw/zinc/06/49/07/685064907.db2.gz GUNIKHNGTVFVGG-JTQLQIEISA-N -1 0 308.338 0.534 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(c2nc(N)nc3nc[nH]c32)C[C@H]1O ZINC001704312715 1179968855 /nfs/dbraw/zinc/96/88/55/1179968855.db2.gz XJRUIQXVCQTDHE-CLAHSXSESA-N -1 0 320.353 0.377 50 0 DCAARM Cc1noc(C)c1Cn1nc2n(c1=O)CC[C@@H](C(=O)[O-])CC2 ZINC000675016917 748026763 /nfs/dbraw/zinc/02/67/63/748026763.db2.gz HGUIOBLGWHYCFI-JTQLQIEISA-N -1 0 306.322 0.735 50 0 DCAARM O=C([O-])c1cccc(OCCNC(=O)N2CCC[C@@H]2CO)c1 ZINC000828799270 759113748 /nfs/dbraw/zinc/11/37/48/759113748.db2.gz HRCQTADSHGBVPF-GFCCVEGCSA-N -1 0 308.334 0.930 50 0 DCAARM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)CCO1 ZINC000585138153 766293778 /nfs/dbraw/zinc/29/37/78/766293778.db2.gz RUZZDKLISXCIPB-QMMMGPOBSA-N -1 0 303.311 0.933 50 0 DCAARM CN1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000095399168 185353868 /nfs/dbraw/zinc/35/38/68/185353868.db2.gz DTLOYTNYDUVIIR-STQMWFEESA-N -1 0 304.346 0.667 50 0 DCAARM Cc1cccc(C(C)C)c1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000095461187 185371092 /nfs/dbraw/zinc/37/10/92/185371092.db2.gz BYLDZRPGPFWLAH-UHFFFAOYSA-N -1 0 317.349 0.785 50 0 DCAARM CNC(=O)Cc1csc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071285502 190953726 /nfs/dbraw/zinc/95/37/26/190953726.db2.gz OKXVPTMQZOXUCH-BDAKNGLRSA-N -1 0 311.363 0.727 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)CCc2[nH]nc3c2CCCC3)CC1 ZINC000071760015 191026249 /nfs/dbraw/zinc/02/62/49/191026249.db2.gz IGGPXTRRYBWJRQ-UHFFFAOYSA-N -1 0 321.377 0.659 50 0 DCAARM Cn1c2ccccc2n(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1=O ZINC000178261009 198839756 /nfs/dbraw/zinc/83/97/56/198839756.db2.gz FWLCWKBWHJRPJW-LLVKDONJSA-N -1 0 317.345 0.663 50 0 DCAARM O=C([O-])C1(NC(=O)C2CCN(c3cnccn3)CC2)CCC1 ZINC000237922118 202392020 /nfs/dbraw/zinc/39/20/20/202392020.db2.gz PCVPVVWGPOOBCP-UHFFFAOYSA-N -1 0 304.350 0.817 50 0 DCAARM CC(=O)N1CCC(N2CCn3nc(CCC(=O)[O-])cc3C2)CC1 ZINC000091745253 193099748 /nfs/dbraw/zinc/09/97/48/193099748.db2.gz SBBWQRYPZZERMP-UHFFFAOYSA-N -1 0 320.393 0.727 50 0 DCAARM CS(=O)(=O)CCN1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091745673 193100780 /nfs/dbraw/zinc/10/07/80/193100780.db2.gz PMZKAYVYXLDEJN-QWHCGFSZSA-N -1 0 315.366 0.970 50 0 DCAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)CCNC(C)=O)C1 ZINC000091769223 193103595 /nfs/dbraw/zinc/10/35/95/193103595.db2.gz BFQRPUAOZKTQIA-OAHLLOKOSA-N -1 0 314.382 0.633 50 0 DCAARM COCCn1c(=O)[nH]c(=O)c([C@@H]2OC(=O)c3ccccc32)c1[O-] ZINC000017043212 182071010 /nfs/dbraw/zinc/07/10/10/182071010.db2.gz PAQRWPBNUWPHKT-LLVKDONJSA-N -1 0 318.285 0.148 50 0 DCAARM CN1CCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000019313587 182114243 /nfs/dbraw/zinc/11/42/43/182114243.db2.gz QDQGTFOFWWKDEQ-ZDUSSCGKSA-N -1 0 317.345 0.264 50 0 DCAARM c1cc(-n2nnnc2SCc2nnn[n-]2)cc2c1OCO2 ZINC000019795262 182150610 /nfs/dbraw/zinc/15/06/10/182150610.db2.gz RIPXRNUMACXNDH-UHFFFAOYSA-N -1 0 304.295 0.196 50 0 DCAARM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000019994545 182175455 /nfs/dbraw/zinc/17/54/55/182175455.db2.gz CKMIIJHQLNKNLK-SNVBAGLBSA-N -1 0 312.347 0.271 50 0 DCAARM CN(Cc1cccnc1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000022160198 182312270 /nfs/dbraw/zinc/31/22/70/182312270.db2.gz ODWSWCFEIYUVKU-UHFFFAOYSA-N -1 0 309.347 0.939 50 0 DCAARM COCCNC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000023485072 182362534 /nfs/dbraw/zinc/36/25/34/182362534.db2.gz IKFAOMLEPQCWKZ-UHFFFAOYSA-N -1 0 303.409 0.299 50 0 DCAARM NC(=O)[C@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1 ZINC000034926605 182744693 /nfs/dbraw/zinc/74/46/93/182744693.db2.gz WELJMXFWOODALI-LBPRGKRZSA-N -1 0 319.361 0.302 50 0 DCAARM O=C(CN1CSCC1=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000037430627 182892742 /nfs/dbraw/zinc/89/27/42/182892742.db2.gz GEIUAUVXHVTNGM-NSHDSACASA-N -1 0 308.359 0.331 50 0 DCAARM O=C([O-])[C@]1(NC(=O)[C@H]2COc3ccccc3O2)CCSC1 ZINC000043503660 183368263 /nfs/dbraw/zinc/36/82/63/183368263.db2.gz DSQHOEUAIARHHO-RISCZKNCSA-N -1 0 309.343 0.903 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Br)cn2)CCO1 ZINC000061860671 184190175 /nfs/dbraw/zinc/19/01/75/184190175.db2.gz JHPCVZFMKPWJQJ-SECBINFHSA-N -1 0 315.123 0.770 50 0 DCAARM CC(C)Cn1cc(C(=O)[O-])c(S(=O)(=O)N2CCOCC2)n1 ZINC000065240424 184317214 /nfs/dbraw/zinc/31/72/14/184317214.db2.gz SARWJTITOSEOGR-UHFFFAOYSA-N -1 0 317.367 0.258 50 0 DCAARM O=C([O-])c1cccc(CC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000262261223 304258853 /nfs/dbraw/zinc/25/88/53/304258853.db2.gz WSTQYVHSTBENNA-GFCCVEGCSA-N -1 0 311.359 0.621 50 0 DCAARM CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)c1 ZINC000216630727 257273675 /nfs/dbraw/zinc/27/36/75/257273675.db2.gz RDFLLYNPELPYSN-NSHDSACASA-N -1 0 305.290 0.935 50 0 DCAARM CCc1nnc(CN(C)Cc2cc(=O)n3[n-]c(C)cc3n2)o1 ZINC000334159638 257261938 /nfs/dbraw/zinc/26/19/38/257261938.db2.gz XUACHAFZKOBWPW-UHFFFAOYSA-N -1 0 302.338 0.908 50 0 DCAARM C[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCc1ccccc1 ZINC000008584076 395684710 /nfs/dbraw/zinc/68/47/10/395684710.db2.gz VVEPWWGDLOPOGP-QMMMGPOBSA-N -1 0 307.331 0.682 50 0 DCAARM COc1ccc2c(C)c(CC(=O)Nc3nnn[n-]3)c(=O)oc2c1 ZINC000008991428 395685080 /nfs/dbraw/zinc/68/50/80/395685080.db2.gz ITVBAPBQIAQJIO-UHFFFAOYSA-N -1 0 315.289 0.804 50 0 DCAARM O=C([O-])c1sccc1S(=O)(=O)NCCN1CCOCC1 ZINC000012141219 395687072 /nfs/dbraw/zinc/68/70/72/395687072.db2.gz SCPGAETYTDUHGL-UHFFFAOYSA-N -1 0 320.392 0.057 50 0 DCAARM O=C([O-])CCc1cn(C2CCN(c3ncccn3)CC2)nn1 ZINC000020905665 395691285 /nfs/dbraw/zinc/69/12/85/395691285.db2.gz NGDSKQQXEXCUPX-UHFFFAOYSA-N -1 0 302.338 0.927 50 0 DCAARM CCOC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000000114817 395679834 /nfs/dbraw/zinc/67/98/34/395679834.db2.gz NBWBGCIYAWBDIF-NEPJUHHUSA-N -1 0 302.290 0.543 50 0 DCAARM COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc1OC ZINC000001236687 395680636 /nfs/dbraw/zinc/68/06/36/395680636.db2.gz FDEWUQADCXNEKR-LLVKDONJSA-N -1 0 308.334 0.479 50 0 DCAARM O=C([O-])CNS(=O)(=O)c1ccc(Br)s1 ZINC000002927920 395682067 /nfs/dbraw/zinc/68/20/67/395682067.db2.gz GJBPQYHRQFWZHL-UHFFFAOYSA-N -1 0 300.155 0.874 50 0 DCAARM COc1ccccc1/C=C\CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000033483832 395717013 /nfs/dbraw/zinc/71/70/13/395717013.db2.gz ZBXZZODSQINRIV-AGLBCWCQSA-N -1 0 304.346 0.984 50 0 DCAARM Cc1ccc(S(=O)(=O)N(C)C[C@H](C)c2nnn[n-]2)s1 ZINC000097377632 395757699 /nfs/dbraw/zinc/75/76/99/395757699.db2.gz YWRVDMSFQPUWNS-ZETCQYMHSA-N -1 0 301.397 0.994 50 0 DCAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1-c1cc2ncccn2n1 ZINC000097570904 395758654 /nfs/dbraw/zinc/75/86/54/395758654.db2.gz FYZJSNHJULOIHZ-SECBINFHSA-N -1 0 314.305 0.576 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[n-]o2)CC[N@H+](CC2CC2)C1 ZINC000097522002 395758660 /nfs/dbraw/zinc/75/86/60/395758660.db2.gz YFQIHCUGTVQYSI-SNVBAGLBSA-N -1 0 309.322 0.249 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000100057536 395762673 /nfs/dbraw/zinc/76/26/73/395762673.db2.gz PLHWYAWDTNCCGB-NXEZZACHSA-N -1 0 305.265 0.206 50 0 DCAARM CC(C)CN1CCN(Cc2cc(=O)n3nc[n-]c3n2)[C@@H](C)C1=O ZINC000101850443 395767519 /nfs/dbraw/zinc/76/75/19/395767519.db2.gz HVUNEHHUBLUPGR-NSHDSACASA-N -1 0 318.381 0.106 50 0 DCAARM O=C([O-])C1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000049544053 395832594 /nfs/dbraw/zinc/83/25/94/395832594.db2.gz KFPFQWXWHCLOOM-UHFFFAOYSA-N -1 0 319.361 0.445 50 0 DCAARM O=C([O-])c1c(OCc2ccccc2)c(=O)ccn1C[C@H](O)CO ZINC000115961094 395841339 /nfs/dbraw/zinc/84/13/39/395841339.db2.gz RTNJSNISZQOUJS-LBPRGKRZSA-N -1 0 319.313 0.479 50 0 DCAARM CC[C@H](C)[C@@H](CO)NC(=O)CCc1nn2c([n-]1)nc(C)cc2=O ZINC000252549656 396023191 /nfs/dbraw/zinc/02/31/91/396023191.db2.gz ROJOMCWCWQPYEJ-GXSJLCMTSA-N -1 0 321.381 0.594 50 0 DCAARM NC(=O)c1ccc(OCCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000261856750 396072784 /nfs/dbraw/zinc/07/27/84/396072784.db2.gz PHQMXRAHXAMJOZ-NSHDSACASA-N -1 0 306.318 0.488 50 0 DCAARM CC1(C)[C@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H]1C(=O)[O-] ZINC000071284640 396111700 /nfs/dbraw/zinc/11/17/00/396111700.db2.gz IDVWKUUHLDAKLU-VHSXEESVSA-N -1 0 312.347 0.629 50 0 DCAARM CC(=O)Nc1cc(S(=O)(=O)N(C)CC(=O)[O-])ccc1F ZINC000261918201 396079281 /nfs/dbraw/zinc/07/92/81/396079281.db2.gz XHZOJOCNPYNOFQ-UHFFFAOYSA-N -1 0 304.299 0.489 50 0 DCAARM CN1CC[C@H](C(=O)NCc2cccc(OCC(=O)[O-])c2)CC1=O ZINC000262755980 396179581 /nfs/dbraw/zinc/17/95/81/396179581.db2.gz KXDNQCPNPNLTFJ-LBPRGKRZSA-N -1 0 320.345 0.635 50 0 DCAARM CC(C)Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000262765249 396180350 /nfs/dbraw/zinc/18/03/50/396180350.db2.gz LPQWWMSBFWPRDO-GFCCVEGCSA-N -1 0 308.334 0.911 50 0 DCAARM O=C([O-])Cn1cc(CNC(=O)c2cc3c(s2)CCOC3)nn1 ZINC000262862853 396188318 /nfs/dbraw/zinc/18/83/18/396188318.db2.gz ZUCZPCFQQDLVNN-UHFFFAOYSA-N -1 0 322.346 0.427 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1=O ZINC000262880232 396189436 /nfs/dbraw/zinc/18/94/36/396189436.db2.gz XQZKSHTVOJMLDO-YMTOWFKASA-N -1 0 309.322 0.249 50 0 DCAARM COc1cc(C)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000262906462 396190997 /nfs/dbraw/zinc/19/09/97/396190997.db2.gz RAJYMLTVZYVORT-ZDUSSCGKSA-N -1 0 309.318 0.938 50 0 DCAARM COCCOc1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262943039 396193046 /nfs/dbraw/zinc/19/30/46/396193046.db2.gz HXZAAQPQHKSBGO-ZDUSSCGKSA-N -1 0 309.318 0.637 50 0 DCAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000268967704 396379614 /nfs/dbraw/zinc/37/96/14/396379614.db2.gz DOWCDYIFJPOCMZ-WCQYABFASA-N -1 0 304.346 0.967 50 0 DCAARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299753296 396714436 /nfs/dbraw/zinc/71/44/36/396714436.db2.gz XSOZDFVVUBCTDE-GWCFXTLKSA-N -1 0 304.302 0.638 50 0 DCAARM COCCn1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cn1 ZINC000626760077 397234007 /nfs/dbraw/zinc/23/40/07/397234007.db2.gz DBWJQKJCPSJPOV-WCQYABFASA-N -1 0 324.381 0.782 50 0 DCAARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)CC(=O)[O-] ZINC000398243115 397313449 /nfs/dbraw/zinc/31/34/49/397313449.db2.gz QCBLPDCAIJGZEY-SECBINFHSA-N -1 0 318.307 0.017 50 0 DCAARM COc1ccc2c(c1)C[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CO2 ZINC000262447719 158814531 /nfs/dbraw/zinc/81/45/31/158814531.db2.gz VMDARNKKRUDXMB-MEBBXXQBSA-N -1 0 309.318 0.198 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCO1 ZINC000262807285 158843005 /nfs/dbraw/zinc/84/30/05/158843005.db2.gz SRPMFHNPUCROSA-LLVKDONJSA-N -1 0 302.290 0.193 50 0 DCAARM CCOC(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000000608641 415126351 /nfs/dbraw/zinc/12/63/51/415126351.db2.gz NKDQVIWRNQEBNL-NEPJUHHUSA-N -1 0 310.350 0.954 50 0 DCAARM CC(NCCCO)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006565481 415133948 /nfs/dbraw/zinc/13/39/48/415133948.db2.gz CERNZWFKIGAHJC-ACCUITESSA-N -1 0 317.345 0.824 50 0 DCAARM Cn1c(=O)c2cc(C(=O)[O-])cnc2n(Cc2ccccc2)c1=O ZINC000012810228 415148973 /nfs/dbraw/zinc/14/89/73/415148973.db2.gz QZHFXYYITSATRG-UHFFFAOYSA-N -1 0 311.297 0.842 50 0 DCAARM NC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000268918717 415245684 /nfs/dbraw/zinc/24/56/84/415245684.db2.gz RFSSXBFSRTXZKM-UXONFWTHSA-N -1 0 304.302 0.111 50 0 DCAARM Cc1noc2nc(C(C)C)cc(C(=O)NCc3n[nH]c(=O)[n-]3)c12 ZINC000075092743 415431710 /nfs/dbraw/zinc/43/17/10/415431710.db2.gz QKFUZSBZAZNVIM-UHFFFAOYSA-N -1 0 316.321 0.996 50 0 DCAARM CC(C)C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000095958121 415569640 /nfs/dbraw/zinc/56/96/40/415569640.db2.gz YQOTZORJFQNIDX-CYBMUJFWSA-N -1 0 306.362 0.961 50 0 DCAARM Cc1nn(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)c1Cl ZINC000299751240 416064959 /nfs/dbraw/zinc/06/49/59/416064959.db2.gz QABPLJNWNGMHRU-SECBINFHSA-N -1 0 301.730 0.465 50 0 DCAARM Cc1cccnc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299802306 416071226 /nfs/dbraw/zinc/07/12/26/416071226.db2.gz YSHHRXPGPXUFID-WDEREUQCSA-N -1 0 315.333 0.839 50 0 DCAARM Cc1cc(C)n2ncc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)c2n1 ZINC000320884723 416121301 /nfs/dbraw/zinc/12/13/01/416121301.db2.gz DCZFHMNMVSOEGY-NSHDSACASA-N -1 0 318.333 0.662 50 0 DCAARM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(C)s1 ZINC000643431678 417206483 /nfs/dbraw/zinc/20/64/83/417206483.db2.gz TXFYPRGSZRPMCU-JTQLQIEISA-N -1 0 317.388 0.689 50 0 DCAARM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000643432818 417208058 /nfs/dbraw/zinc/20/80/58/417208058.db2.gz BIYVMQVBNNHACC-PWSUYJOCSA-N -1 0 311.359 0.500 50 0 DCAARM CNc1nc(C)cc(C(=O)NC2(CC(=O)[O-])CCOCC2)n1 ZINC000663122669 417993112 /nfs/dbraw/zinc/99/31/12/417993112.db2.gz NUVVZQPKCCFBJN-UHFFFAOYSA-N -1 0 308.338 0.580 50 0 DCAARM COc1ccc(-c2nnc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])[nH]2)cc1 ZINC000299741659 229377171 /nfs/dbraw/zinc/37/71/71/229377171.db2.gz ABWCGHBETTVDHV-QWRGUYRKSA-N -1 0 316.317 0.817 50 0 DCAARM CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@H]2C(=O)[O-] ZINC000258830924 278380456 /nfs/dbraw/zinc/38/04/56/278380456.db2.gz JCHRSFNTOLNLGP-QMMMGPOBSA-N -1 0 305.352 0.353 50 0 DCAARM CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000408523646 279010209 /nfs/dbraw/zinc/01/02/09/279010209.db2.gz UKOKEQMWLAEGMC-SNVBAGLBSA-N -1 0 318.333 0.915 50 0 DCAARM COc1cc(OC)c(CN2CCNC(=O)[C@@H]2C)c(C(=O)[O-])c1 ZINC000097572186 295005757 /nfs/dbraw/zinc/00/57/57/295005757.db2.gz UTXBOTPAOQVHEO-VIFPVBQESA-N -1 0 308.334 0.722 50 0 DCAARM C[C@@H]1Oc2cc(S(=O)(=O)[N-]c3cnn(C)c3)ccc2NC1=O ZINC000252480934 297653927 /nfs/dbraw/zinc/65/39/27/297653927.db2.gz CGKUGMYBUDTPHB-QMMMGPOBSA-N -1 0 322.346 0.940 50 0 DCAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262830655 534116516 /nfs/dbraw/zinc/11/65/16/534116516.db2.gz RZLGZAUKXZYHQG-QJPTWQEYSA-N -1 0 301.339 0.273 50 0 DCAARM CCO[C@H]1C[C@](NC(=O)c2nccnc2N)(C(=O)[O-])C1(C)C ZINC000262688454 520587696 /nfs/dbraw/zinc/58/76/96/520587696.db2.gz BKKAGEQNSUMWGF-RTHLEPHNSA-N -1 0 308.338 0.447 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000299749206 534539858 /nfs/dbraw/zinc/53/98/58/534539858.db2.gz JLEGZACWLKLVCG-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)NC1CCN(c2cnccn2)CC1 ZINC000299782947 534551743 /nfs/dbraw/zinc/55/17/43/534551743.db2.gz DZPKSVNTNNPZJQ-UHFFFAOYSA-N -1 0 316.321 0.297 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCO1 ZINC000262869473 527629782 /nfs/dbraw/zinc/62/97/82/527629782.db2.gz XLDSIZYSCUABDI-GFCCVEGCSA-N -1 0 318.329 0.345 50 0 DCAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000262021624 545977759 /nfs/dbraw/zinc/97/77/59/545977759.db2.gz XUHXRAFBCGLPKL-YPMHNXCESA-N -1 0 323.370 0.632 50 0 DCAARM CCc1ccoc1C(=O)N1C[C@@H](C(=O)NC)CC[C@H]1C(=O)[O-] ZINC000685940939 548746992 /nfs/dbraw/zinc/74/69/92/548746992.db2.gz KZUXJUZYULIYNV-QWRGUYRKSA-N -1 0 308.334 0.893 50 0 DCAARM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000262442651 662390819 /nfs/dbraw/zinc/39/08/19/662390819.db2.gz UUWWTFIQZZBOAK-MEBBXXQBSA-N -1 0 314.382 0.223 50 0 DCAARM NC(=O)c1cc([C@@H]2CCCN(c3cnc(C(=O)[O-])cn3)C2)n[nH]1 ZINC000263418172 662686992 /nfs/dbraw/zinc/68/69/92/662686992.db2.gz OMSINJKKHDMJLL-MRVPVSSYSA-N -1 0 316.321 0.381 50 0 DCAARM O=C(CCN1CCCCCC1=O)NC1(C(=O)[O-])CCOCC1 ZINC000952967812 685598770 /nfs/dbraw/zinc/59/87/70/685598770.db2.gz DPGYZUYMSVRSBY-UHFFFAOYSA-N -1 0 312.366 0.529 50 0 DCAARM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCN(C)C(=O)C1)C2 ZINC000067785403 685069439 /nfs/dbraw/zinc/06/94/39/685069439.db2.gz VQDVRJMJASPQLK-LLVKDONJSA-N -1 0 320.393 0.623 50 0 DCAARM Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](C(=O)[O-])C1 ZINC001704325225 1179973657 /nfs/dbraw/zinc/97/36/57/1179973657.db2.gz GLSZNZWONIKINX-QWRGUYRKSA-N -1 0 317.338 0.590 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000088374979 185247598 /nfs/dbraw/zinc/24/75/98/185247598.db2.gz YICKBCUXBUIMQQ-ZCFIWIBFSA-N -1 0 304.096 0.968 50 0 DCAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1nccc(N)n1)CC2 ZINC000082096606 192354964 /nfs/dbraw/zinc/35/49/64/192354964.db2.gz QETADQILNWAAOJ-LLVKDONJSA-N -1 0 319.365 0.351 50 0 DCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1COCCN1C ZINC000095456792 185370109 /nfs/dbraw/zinc/37/01/09/185370109.db2.gz SZMJICWOZVGPDO-SNVBAGLBSA-N -1 0 322.390 0.274 50 0 DCAARM Cn1cccc1-c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])[nH]n1 ZINC000072123951 191041447 /nfs/dbraw/zinc/04/14/47/191041447.db2.gz UNXXTAQRPUBHFY-SNVBAGLBSA-N -1 0 318.333 0.731 50 0 DCAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237457449 186292202 /nfs/dbraw/zinc/29/22/02/186292202.db2.gz FDDCWUONZIVOFN-MFKMUULPSA-N -1 0 323.393 0.918 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2 ZINC000100061363 290928168 /nfs/dbraw/zinc/92/81/68/290928168.db2.gz IBSFJPURTCQVNL-QWRGUYRKSA-N -1 0 315.329 0.602 50 0 DCAARM CN(CC(=O)N1CCOC[C@H]1CC(=O)[O-])Cc1ccccc1F ZINC000072419420 191156691 /nfs/dbraw/zinc/15/66/91/191156691.db2.gz DEDVDMBPOQMXDB-CYBMUJFWSA-N -1 0 324.352 0.960 50 0 DCAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003291095 181001017 /nfs/dbraw/zinc/00/10/17/181001017.db2.gz DXLMTYLWTFEJHA-JTQLQIEISA-N -1 0 313.331 0.696 50 0 DCAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCC(=O)[O-] ZINC000004061417 181068215 /nfs/dbraw/zinc/06/82/15/181068215.db2.gz GGYVWOYJQAWFOH-UHFFFAOYSA-N -1 0 305.286 0.940 50 0 biogenic DCAARM COc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000004677149 181135139 /nfs/dbraw/zinc/13/51/39/181135139.db2.gz QQGCLJILXPRUFJ-UHFFFAOYSA-N -1 0 308.334 0.445 50 0 DCAARM CC(C)C(=O)NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000005781860 181283539 /nfs/dbraw/zinc/28/35/39/181283539.db2.gz XRNHAMYFNRKJIU-UHFFFAOYSA-N -1 0 317.301 0.394 50 0 DCAARM CCc1nnc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])s1 ZINC000091985387 193135555 /nfs/dbraw/zinc/13/55/55/193135555.db2.gz MZQMMABBRIWBML-QMMMGPOBSA-N -1 0 310.379 0.660 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(c2cc(OC)nc(N)n2)C1 ZINC000092099506 193158564 /nfs/dbraw/zinc/15/85/64/193158564.db2.gz PNSRQVHATUNQRB-CQSZACIVSA-N -1 0 310.354 0.775 50 0 DCAARM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000019994548 182175194 /nfs/dbraw/zinc/17/51/94/182175194.db2.gz CKMIIJHQLNKNLK-JTQLQIEISA-N -1 0 312.347 0.271 50 0 DCAARM COc1ccc(C)cc1[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000021168285 182268365 /nfs/dbraw/zinc/26/83/65/182268365.db2.gz VWSMBMNBRSQOAR-SNVBAGLBSA-N -1 0 319.404 0.932 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000299749805 304200731 /nfs/dbraw/zinc/20/07/31/304200731.db2.gz LPMFGHGZOKKREL-GFCCVEGCSA-N -1 0 320.280 0.332 50 0 DCAARM O=C([O-])[C@@]1(NC(=O)[C@H]2COc3ccccc3O2)CCSC1 ZINC000043503657 183368291 /nfs/dbraw/zinc/36/82/91/183368291.db2.gz DSQHOEUAIARHHO-BXUZGUMPSA-N -1 0 309.343 0.903 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701177 183382161 /nfs/dbraw/zinc/38/21/61/183382161.db2.gz BILNBYJJAPDTSR-FSIBCCDJSA-N -1 0 313.741 0.707 50 0 DCAARM CN(C[C@H]1COCCO1)c1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065461432 184349047 /nfs/dbraw/zinc/34/90/47/184349047.db2.gz NHRMWFRITKHTIS-JTQLQIEISA-N -1 0 318.333 0.762 50 0 DCAARM CN(CC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-])Cc1ccccc1F ZINC000426425486 257250178 /nfs/dbraw/zinc/25/01/78/257250178.db2.gz RXIHPDVPKWGLOF-YPMHNXCESA-N -1 0 310.325 0.304 50 0 DCAARM CC[C@@H](Sc1ccnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000010217119 395685974 /nfs/dbraw/zinc/68/59/74/395685974.db2.gz ZYONSWDJAKVKEL-SSDOTTSWSA-N -1 0 309.347 0.588 50 0 DCAARM NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013269904 395688523 /nfs/dbraw/zinc/68/85/23/395688523.db2.gz HMJBXGSALOSJQA-ZETCQYMHSA-N -1 0 304.349 0.085 50 0 DCAARM O=C([O-])c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000000179248 395679921 /nfs/dbraw/zinc/67/99/21/395679921.db2.gz GBSJAXQEEOQIFP-UHFFFAOYSA-N -1 0 310.331 0.887 50 0 DCAARM NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000214406 395680033 /nfs/dbraw/zinc/68/00/33/395680033.db2.gz MWRFKQKVOHOVAF-RYUDHWBXSA-N -1 0 324.358 0.940 50 0 DCAARM O=C([O-])CCCCCNC(=O)Cn1nnc2ccccc2c1=O ZINC000002433376 395681539 /nfs/dbraw/zinc/68/15/39/395681539.db2.gz GIBHMWSWXUUBLD-UHFFFAOYSA-N -1 0 318.333 0.553 50 0 DCAARM CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCC(=O)[O-] ZINC000005111668 395682576 /nfs/dbraw/zinc/68/25/76/395682576.db2.gz QFIXSTFIDLLZJP-UHFFFAOYSA-N -1 0 319.321 0.952 50 0 DCAARM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000006948312 395683038 /nfs/dbraw/zinc/68/30/38/395683038.db2.gz CJYNCJMQAGDWKJ-SNVBAGLBSA-N -1 0 301.368 0.522 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000034926439 395718421 /nfs/dbraw/zinc/71/84/21/395718421.db2.gz KBGMSXKDTQTSFZ-RYUDHWBXSA-N -1 0 320.345 0.921 50 0 DCAARM CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000036836902 395724668 /nfs/dbraw/zinc/72/46/68/395724668.db2.gz UQMHCVVEGHPLDX-HTQZYQBOSA-N -1 0 310.272 0.767 50 0 DCAARM CN(C)c1ccc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cn1 ZINC000096132203 395745764 /nfs/dbraw/zinc/74/57/64/395745764.db2.gz DXHQQUKYYBPFIA-LBPRGKRZSA-N -1 0 315.333 0.522 50 0 DCAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1cc(-c2ccc(F)cc2)on1 ZINC000096475090 395754049 /nfs/dbraw/zinc/75/40/49/395754049.db2.gz DCXRDEFGHOCGPI-UHFFFAOYSA-N -1 0 317.280 0.865 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000100165770 395762857 /nfs/dbraw/zinc/76/28/57/395762857.db2.gz IRLFDERRZXNXJQ-KOLCDFICSA-N -1 0 304.258 0.112 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000100165854 395762916 /nfs/dbraw/zinc/76/29/16/395762916.db2.gz WWOFOTPRBADOQH-GXSJLCMTSA-N -1 0 306.249 0.633 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3C)c(=O)c1-2 ZINC000100628293 395763711 /nfs/dbraw/zinc/76/37/11/395763711.db2.gz ZOQPQDXPGPZXDV-ZJUUUORDSA-N -1 0 321.720 0.639 50 0 DCAARM Cn1c([O-])c(C2=NN[C@@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000101761722 395767211 /nfs/dbraw/zinc/76/72/11/395767211.db2.gz ZZHCWOMDCCHNSL-SSDOTTSWSA-N -1 0 306.347 0.290 50 0 DCAARM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccnc1OC(C)C ZINC000225471310 395860807 /nfs/dbraw/zinc/86/08/07/395860807.db2.gz ZNPHICRFBWYMSW-SNVBAGLBSA-N -1 0 316.379 0.963 50 0 DCAARM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)cn1 ZINC000227161781 395867748 /nfs/dbraw/zinc/86/77/48/395867748.db2.gz HJULQHOSGXXBNP-UHFFFAOYSA-N -1 0 322.346 0.576 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]([C@H]2O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 ZINC000138607019 395952063 /nfs/dbraw/zinc/95/20/63/395952063.db2.gz RCDQDAVVBBQHOY-QYKGAGETSA-N -1 0 318.285 0.638 50 0 DCAARM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC2)C1=O ZINC000253430140 396028597 /nfs/dbraw/zinc/02/85/97/396028597.db2.gz XJIWBNFYUBLLIF-CHWSQXEVSA-N -1 0 302.330 0.939 50 0 DCAARM COc1nccnc1N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067774754 396033542 /nfs/dbraw/zinc/03/35/42/396033542.db2.gz RCWRIUVBYDEJJK-SNVBAGLBSA-N -1 0 318.337 0.692 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1 ZINC000261774491 396064430 /nfs/dbraw/zinc/06/44/30/396064430.db2.gz RITAGTUWAIKJGW-GFCCVEGCSA-N -1 0 316.317 0.583 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000262413457 396137347 /nfs/dbraw/zinc/13/73/47/396137347.db2.gz BPFQBDOUFYAMAV-JTQLQIEISA-N -1 0 321.289 0.574 50 0 DCAARM C[C@H](CNC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-] ZINC000262543088 396152906 /nfs/dbraw/zinc/15/29/06/396152906.db2.gz RYKJAGMNNUGBTJ-MRVPVSSYSA-N -1 0 309.297 0.806 50 0 DCAARM CN1N=C(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCC1=O ZINC000263265152 396210507 /nfs/dbraw/zinc/21/05/07/396210507.db2.gz VHUJYBMXXWQGRH-UHFFFAOYSA-N -1 0 307.281 1.000 50 0 DCAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1-n1cncn1 ZINC000263003925 396197028 /nfs/dbraw/zinc/19/70/28/396197028.db2.gz QDVOTXMYPYGCKF-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)Cn1ncc2ccccc21 ZINC000263338632 396214294 /nfs/dbraw/zinc/21/42/94/396214294.db2.gz WYDMTUQUKVUYRC-LBPRGKRZSA-N -1 0 303.318 0.738 50 0 DCAARM C[C@@H]1CN(c2ccnc(C(=O)NCCC(=O)[O-])c2)C[C@H](C)O1 ZINC000263566746 396220944 /nfs/dbraw/zinc/22/09/44/396220944.db2.gz GFGWKEYIILAKKB-PHIMTYICSA-N -1 0 307.350 0.900 50 0 DCAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000630254398 396972777 /nfs/dbraw/zinc/97/27/77/396972777.db2.gz SLXAHCXBPAYIGN-HNNXBMFYSA-N -1 0 318.333 0.592 50 0 DCAARM CCO[C@H]1C[C@@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262494891 158818669 /nfs/dbraw/zinc/81/86/69/158818669.db2.gz GVZRKDAQXXQHKZ-RYUDHWBXSA-N -1 0 312.366 0.193 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCO1 ZINC000262727405 158836407 /nfs/dbraw/zinc/83/64/07/158836407.db2.gz BDYOVLPPKBRZKC-LLVKDONJSA-N -1 0 302.290 0.193 50 0 DCAARM CCc1cc(N2CCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])C2)ncn1 ZINC000263545325 158885850 /nfs/dbraw/zinc/88/58/50/158885850.db2.gz GMOPLOZECFNYTI-PWSUYJOCSA-N -1 0 306.366 0.845 50 0 DCAARM COCCN1CCC[C@@]2(CCN(C(=O)c3cc(=O)[n-]o3)C2)C1=O ZINC000091411937 292532651 /nfs/dbraw/zinc/53/26/51/292532651.db2.gz FZFMHIQKIJKUMK-HNNXBMFYSA-N -1 0 323.349 0.481 50 0 DCAARM Cn1cc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)cn1 ZINC000025875748 415164789 /nfs/dbraw/zinc/16/47/89/415164789.db2.gz JOKSLXINBVCCPX-OAHLLOKOSA-N -1 0 313.317 0.532 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000269166976 415248575 /nfs/dbraw/zinc/24/85/75/415248575.db2.gz FUKLPQURDNHQBM-NSHDSACASA-N -1 0 303.318 0.763 50 0 DCAARM CC(C)c1noc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])n1 ZINC000095388743 415556089 /nfs/dbraw/zinc/55/60/89/415556089.db2.gz UUGKFGSINQQDFC-JTQLQIEISA-N -1 0 322.365 0.748 50 0 DCAARM Cn1nc(CN(CCN2CCOCC2)c2ccccc2)[n-]c1=O ZINC000095996069 415566332 /nfs/dbraw/zinc/56/63/32/415566332.db2.gz DFYPQKKLCYANLL-UHFFFAOYSA-N -1 0 317.393 0.447 50 0 DCAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000179072370 416180679 /nfs/dbraw/zinc/18/06/79/416180679.db2.gz UONRLJLVZXVQQD-NSHDSACASA-N -1 0 321.358 0.968 50 0 DCAARM Cc1ccc(CC(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)[O-])C2)s1 ZINC000241684893 416330410 /nfs/dbraw/zinc/33/04/10/416330410.db2.gz QGDKZWCDXAVQRS-VXGBXAGGSA-N -1 0 312.391 0.187 50 0 DCAARM Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(C)s1 ZINC000643431679 417204816 /nfs/dbraw/zinc/20/48/16/417204816.db2.gz TXFYPRGSZRPMCU-SNVBAGLBSA-N -1 0 317.388 0.689 50 0 DCAARM CC(=O)Nc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1C ZINC000532597507 417684987 /nfs/dbraw/zinc/68/49/87/417684987.db2.gz MMVUQWQSYQKLBE-CYBMUJFWSA-N -1 0 306.318 0.879 50 0 DCAARM O=C([O-])CN1CC[C@@H](n2nnnc2/C=C\c2ccccc2)C1=O ZINC000663219382 418001341 /nfs/dbraw/zinc/00/13/41/418001341.db2.gz INICQBJORGWDLZ-ZHRWSRJISA-N -1 0 313.317 0.702 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000299743310 229380916 /nfs/dbraw/zinc/38/09/16/229380916.db2.gz NEQUEULDDJSHGU-LLVKDONJSA-N -1 0 300.314 0.935 50 0 DCAARM Cn1nc(CC(=O)N(CC(=O)[O-])C2CC2)c2ccccc2c1=O ZINC000299745897 229386776 /nfs/dbraw/zinc/38/67/76/229386776.db2.gz TXJRRCMHYUUROL-UHFFFAOYSA-N -1 0 315.329 0.552 50 0 DCAARM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1S(N)(=O)=O ZINC000299747327 229389291 /nfs/dbraw/zinc/38/92/91/229389291.db2.gz CQJVZOZKAAJYME-SNVBAGLBSA-N -1 0 312.347 0.332 50 0 DCAARM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000299749131 229391870 /nfs/dbraw/zinc/39/18/70/229391870.db2.gz JJTCIUBQSKAPHO-VPOLOUISSA-N -1 0 303.380 0.521 50 0 DCAARM COc1cccc2c1OCC(C(=O)N1CCOC[C@@H]1C(=O)[O-])=C2 ZINC000299753419 295339301 /nfs/dbraw/zinc/33/93/01/295339301.db2.gz YEHXRAOQVLHRHZ-GFCCVEGCSA-N -1 0 319.313 0.783 50 0 DCAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])C2 ZINC000268974389 301441382 /nfs/dbraw/zinc/44/13/82/301441382.db2.gz IVNDEBQZIDHZPB-OCCSQVGLSA-N -1 0 305.330 0.919 50 0 DCAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262831909 302770365 /nfs/dbraw/zinc/77/03/65/302770365.db2.gz SBLKVUCGTSXUMD-JOYOIKCWSA-N -1 0 309.366 0.843 50 0 DCAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000000060432 331458851 /nfs/dbraw/zinc/45/88/51/331458851.db2.gz ZCYFHIOHNFQBFX-MRVPVSSYSA-N -1 0 313.360 0.929 50 0 DCAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262549960 534006889 /nfs/dbraw/zinc/00/68/89/534006889.db2.gz WSYFZTZWGSTZHP-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000299751254 534524311 /nfs/dbraw/zinc/52/43/11/534524311.db2.gz QBLOHDTUTXKZPY-ZDUSSCGKSA-N -1 0 316.313 0.795 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1COCCO1 ZINC000268906113 534527833 /nfs/dbraw/zinc/52/78/33/534527833.db2.gz YOCVTVCQUXDHDL-KBPBESRZSA-N -1 0 318.329 0.695 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000261908763 526271460 /nfs/dbraw/zinc/27/14/60/526271460.db2.gz XUDISOOVIDUOLY-GFCCVEGCSA-N -1 0 315.333 0.663 50 0 DCAARM CC(=O)N[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CCCC1 ZINC000262441705 526866733 /nfs/dbraw/zinc/86/67/33/526866733.db2.gz NPUMKGTYQWMIGK-OCCSQVGLSA-N -1 0 312.366 0.383 50 0 DCAARM O=C([O-])C1(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000081528819 545694585 /nfs/dbraw/zinc/69/45/85/545694585.db2.gz PIBXFTYSLLSPHO-UHFFFAOYSA-N -1 0 304.228 0.504 50 0 DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1c[nH]c2ccccc21 ZINC000888099545 661178620 /nfs/dbraw/zinc/17/86/20/661178620.db2.gz PTFNBKPNBRGMHD-LLVKDONJSA-N -1 0 310.331 0.642 50 0 DCAARM CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000950756043 662117404 /nfs/dbraw/zinc/11/74/04/662117404.db2.gz DXOKNUCSHKQCCV-DTWKUNHWSA-N -1 0 307.368 0.789 50 0 DCAARM Cc1ccnc(N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)n1 ZINC000067723864 685069786 /nfs/dbraw/zinc/06/97/86/685069786.db2.gz LDPJTCGIFTVTRO-NSHDSACASA-N -1 0 302.338 0.991 50 0 DCAARM COc1cccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704337694 1179978242 /nfs/dbraw/zinc/97/82/42/1179978242.db2.gz CRLYXRHNGTYSKU-RYUDHWBXSA-N -1 0 315.347 0.151 50 0 DCAARM O=C(Nc1nccc(Br)c1[O-])[C@@H]1COCCO1 ZINC000585129020 747784583 /nfs/dbraw/zinc/78/45/83/747784583.db2.gz VCCOIEMULBYEDA-ZETCQYMHSA-N -1 0 303.112 0.904 50 0 DCAARM CC1(c2nc(CC(N)=O)nn2-c2ccc(C(=O)[O-])cc2)COC1 ZINC000952862951 768922211 /nfs/dbraw/zinc/92/22/11/768922211.db2.gz SOQLNMJQHVYCIW-UHFFFAOYSA-N -1 0 316.317 0.281 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N([C@H]2CCN(C(=O)OCC(F)(F)F)C2)C1 ZINC000952876110 768938299 /nfs/dbraw/zinc/93/82/99/768938299.db2.gz YOVRIQHIELLTAH-SFYZADRCSA-N -1 0 324.255 0.693 50 0 DCAARM CCN(CCN1CCOCC1)C(=O)c1cc(O)cc(C(=O)[O-])c1 ZINC001506408856 1017258802 /nfs/dbraw/zinc/25/88/02/1017258802.db2.gz YAXOEGWJPIJSMN-UHFFFAOYSA-N -1 0 322.361 0.885 50 0 DCAARM CC(C)c1cc(C(=O)NCCCc2nonc2C(=O)[O-])n(C)n1 ZINC000095527314 185378305 /nfs/dbraw/zinc/37/83/05/185378305.db2.gz BNQOJVDPXMPRJO-UHFFFAOYSA-N -1 0 321.337 0.987 50 0 DCAARM CN(Cc1nnn[n-]1)C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000078914737 185128290 /nfs/dbraw/zinc/12/82/90/185128290.db2.gz NNSYUJZIBSOUEJ-SNVBAGLBSA-N -1 0 324.410 0.250 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)CCO1 ZINC000328589224 231233009 /nfs/dbraw/zinc/23/30/09/231233009.db2.gz AADQVPVCIIMNFE-CXLRFSCWSA-N -1 0 305.286 0.741 50 0 DCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1nccc(N)n1)CC2 ZINC000082096607 192355682 /nfs/dbraw/zinc/35/56/82/192355682.db2.gz QETADQILNWAAOJ-NSHDSACASA-N -1 0 319.365 0.351 50 0 DCAARM Cc1cc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)n(C)n1 ZINC000095402816 185354786 /nfs/dbraw/zinc/35/47/86/185354786.db2.gz IFHXTPQYGZEEKQ-UHFFFAOYSA-N -1 0 316.317 0.795 50 0 DCAARM CNC(=O)C1(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC000299747645 529840915 /nfs/dbraw/zinc/84/09/15/529840915.db2.gz DNXHSSHQZKDGDS-UHFFFAOYSA-N -1 0 306.318 0.536 50 0 DCAARM Cc1nonc1C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072454597 191171681 /nfs/dbraw/zinc/17/16/81/191171681.db2.gz CDJDCIBEQGGQPV-UHFFFAOYSA-N -1 0 319.321 0.638 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CCO1 ZINC000072458528 191172779 /nfs/dbraw/zinc/17/27/79/191172779.db2.gz MMBBIYYKEMTWQR-LBPRGKRZSA-N -1 0 320.276 0.593 50 0 DCAARM COc1ccc([C@H](CC(=O)[O-])N2CCS(=O)(=O)CC2)cc1 ZINC000003883261 181052195 /nfs/dbraw/zinc/05/21/95/181052195.db2.gz UIMZKCALBIDFJG-ZDUSSCGKSA-N -1 0 313.375 0.941 50 0 DCAARM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000003888124 181053078 /nfs/dbraw/zinc/05/30/78/181053078.db2.gz MLOYLSJFWZFPEV-UHFFFAOYSA-N -1 0 301.320 0.601 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000237661907 202321820 /nfs/dbraw/zinc/32/18/20/202321820.db2.gz OSROLEGTVCBHJQ-OAHLLOKOSA-N -1 0 301.302 0.631 50 0 DCAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262753519 238179325 /nfs/dbraw/zinc/17/93/25/238179325.db2.gz KSZKMBITORMJDL-YNEHKIRRSA-N -1 0 315.366 0.663 50 0 DCAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1-n1cncn1 ZINC000268973300 238254583 /nfs/dbraw/zinc/25/45/83/238254583.db2.gz IGILBSCHPULHSY-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM NC(=O)NCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000271891905 209301863 /nfs/dbraw/zinc/30/18/63/209301863.db2.gz LJGRVZJGBSQIHQ-CQSZACIVSA-N -1 0 323.374 0.545 50 0 DCAARM O=C(N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)c1cc(=O)[n-]o1 ZINC000244858542 202503509 /nfs/dbraw/zinc/50/35/09/202503509.db2.gz VNBYISMRRWEYHR-ZKCHVHJHSA-N -1 0 319.321 0.475 50 0 DCAARM CCNC(=O)N1C[C@H]2CN(c3ccc(C)nn3)C[C@@]2(C(=O)[O-])C1 ZINC000091535548 193070824 /nfs/dbraw/zinc/07/08/24/193070824.db2.gz UYTAAJPITZZMLJ-IAQYHMDHSA-N -1 0 319.365 0.337 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000299745106 304132315 /nfs/dbraw/zinc/13/23/15/304132315.db2.gz WEXZDRVNNRLFEI-ZDUSSCGKSA-N -1 0 307.302 0.774 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000088374323 304135176 /nfs/dbraw/zinc/13/51/76/304135176.db2.gz KBLISVJNDNDDAU-JQWIXIFHSA-N -1 0 311.721 0.956 50 0 DCAARM CC(=O)c1ccc(OCC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000221200097 201583911 /nfs/dbraw/zinc/58/39/11/201583911.db2.gz XJADWDMZSUYQCE-CYBMUJFWSA-N -1 0 321.329 0.970 50 0 DCAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012505725 181768691 /nfs/dbraw/zinc/76/86/91/181768691.db2.gz JGVGNJOKUPLOAU-UHFFFAOYSA-N -1 0 301.320 0.553 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1cccs1 ZINC000021540556 182280020 /nfs/dbraw/zinc/28/00/20/182280020.db2.gz PPNNXOUWDNEFPS-QMMMGPOBSA-N -1 0 301.349 0.445 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000262179694 304184952 /nfs/dbraw/zinc/18/49/52/304184952.db2.gz WKALXSXLUUAADM-LLVKDONJSA-N -1 0 303.380 0.810 50 0 DCAARM CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000032627117 182651348 /nfs/dbraw/zinc/65/13/48/182651348.db2.gz LJXCLKXFEKHXCG-QMMMGPOBSA-N -1 0 317.319 0.694 50 0 DCAARM O=C([O-])CC[C@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000043584217 183373072 /nfs/dbraw/zinc/37/30/72/183373072.db2.gz JNIOMMNWMXWBEM-SNVBAGLBSA-N -1 0 300.380 0.623 50 0 DCAARM Cc1ccnn1CCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000061720909 184185466 /nfs/dbraw/zinc/18/54/66/184185466.db2.gz LWLSCUWSJXMSNB-UHFFFAOYSA-N -1 0 316.317 0.645 50 0 DCAARM CCN1C[C@@H](Nc2nc(N)nc3ccc(C(=O)[O-])cc32)CC1=O ZINC000065459893 184348142 /nfs/dbraw/zinc/34/81/42/184348142.db2.gz YHLVKZFGKQYXSE-VIFPVBQESA-N -1 0 315.333 0.943 50 0 DCAARM CS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000037419459 256533384 /nfs/dbraw/zinc/53/33/84/256533384.db2.gz AQZMNDMRTOVWPH-SNVBAGLBSA-N -1 0 318.395 0.172 50 0 DCAARM CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000250492462 257214910 /nfs/dbraw/zinc/21/49/10/257214910.db2.gz YKGNFQSXCHNISB-HBNTYKKESA-N -1 0 303.380 0.523 50 0 DCAARM O=C(NCc1n[nH]c(=O)[n-]1)c1c[nH]nc1-c1ccccc1F ZINC000087454972 257242811 /nfs/dbraw/zinc/24/28/11/257242811.db2.gz RIPRYHIVWUHRCB-UHFFFAOYSA-N -1 0 302.269 0.557 50 0 DCAARM Cn1cc(SCC(=O)N[C@@H](CO)C(=O)[O-])c2ccccc21 ZINC000426724038 257243879 /nfs/dbraw/zinc/24/38/79/257243879.db2.gz UGYSIGXVYGZYAZ-JTQLQIEISA-N -1 0 308.359 0.832 50 0 DCAARM Cc1nnnn1Cc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000426509514 257248516 /nfs/dbraw/zinc/24/85/16/257248516.db2.gz RFZPNXSPTIBWCD-UHFFFAOYSA-N -1 0 315.333 0.767 50 0 DCAARM Cc1n[nH]nc1C(=O)N1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426415714 257251298 /nfs/dbraw/zinc/25/12/98/257251298.db2.gz ZXBFLYAKUFYJQQ-SNVBAGLBSA-N -1 0 318.337 0.414 50 0 DCAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCn3nnc4ccccc43)C[C@@H]21 ZINC000426419889 257251891 /nfs/dbraw/zinc/25/18/91/257251891.db2.gz CAQFTNKHSGLRLN-MSRIBSCDSA-N -1 0 300.318 0.610 50 0 DCAARM Cc1cc(N)n(CC(=O)NCCOc2cccc(C(=O)[O-])c2)n1 ZINC000426382996 257252674 /nfs/dbraw/zinc/25/26/74/257252674.db2.gz CQIXMOQRNQMMAT-UHFFFAOYSA-N -1 0 318.333 0.667 50 0 DCAARM CC(C)Cn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000000040767 395679703 /nfs/dbraw/zinc/67/97/03/395679703.db2.gz QLHNSNYBSZJJFB-UHFFFAOYSA-N -1 0 312.351 0.256 50 0 DCAARM COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c(OC)c1 ZINC000001236579 395680694 /nfs/dbraw/zinc/68/06/94/395680694.db2.gz NDHQXIIVAUUZKN-LBPRGKRZSA-N -1 0 308.334 0.479 50 0 DCAARM CC(C)[C@H](NC(=O)[C@H](C)n1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002205072 395681469 /nfs/dbraw/zinc/68/14/69/395681469.db2.gz NNOKWCXHLLNIEA-CABZTGNLSA-N -1 0 318.333 0.578 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000035126647 395719106 /nfs/dbraw/zinc/71/91/06/395719106.db2.gz KHLASXAHLNRHSH-UHFFFAOYSA-N -1 0 302.327 0.217 50 0 DCAARM CCC[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000036836904 395724846 /nfs/dbraw/zinc/72/48/46/395724846.db2.gz UQMHCVVEGHPLDX-JGVFFNPUSA-N -1 0 310.272 0.767 50 0 DCAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000037430992 395727045 /nfs/dbraw/zinc/72/70/45/395727045.db2.gz HDXIRAORZQGOHF-ZJUUUORDSA-N -1 0 306.384 0.026 50 0 DCAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000037589994 395727893 /nfs/dbraw/zinc/72/78/93/395727893.db2.gz VMVXXDFBJWDKDW-MNOVXSKESA-N -1 0 300.355 0.193 50 0 DCAARM Cc1cc(=O)n2nc(Cc3nc([C@@H]4CCOC4)no3)[n-]c2n1 ZINC000096141149 395746022 /nfs/dbraw/zinc/74/60/22/395746022.db2.gz XFTOLQLYEJOKDX-MRVPVSSYSA-N -1 0 302.294 0.616 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100510441 395763234 /nfs/dbraw/zinc/76/32/34/395763234.db2.gz ZSWXBPWBKTXLBE-QWRGUYRKSA-N -1 0 317.301 0.076 50 0 DCAARM COC(=O)C1=C(C)NC(=O)[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000101652009 395766105 /nfs/dbraw/zinc/76/61/05/395766105.db2.gz YAXDIXDAVMLBGZ-NSHDSACASA-N -1 0 316.239 0.766 50 0 DCAARM Cc1nn2c([n-]1)ncc(C(=O)N[C@H](C)c1cnn(C)c1C)c2=O ZINC000220026569 395847127 /nfs/dbraw/zinc/84/71/27/395847127.db2.gz NUCBYMKJMKMDOB-SSDOTTSWSA-N -1 0 315.337 0.259 50 0 DCAARM COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cn1 ZINC000220453807 395849057 /nfs/dbraw/zinc/84/90/57/395849057.db2.gz PGQFZILKIBCSBC-MNOVXSKESA-N -1 0 310.306 0.079 50 0 DCAARM CN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O ZINC000230010040 395877227 /nfs/dbraw/zinc/87/72/27/395877227.db2.gz TZVQGAFUWZDPPL-LRDDRELGSA-N -1 0 315.329 0.347 50 0 DCAARM CC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)c1 ZINC000252498496 396021957 /nfs/dbraw/zinc/02/19/57/396021957.db2.gz RDFLLYNPELPYSN-LLVKDONJSA-N -1 0 305.290 0.935 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)c1noc2c1CCCCC2 ZINC000158920549 396066142 /nfs/dbraw/zinc/06/61/42/396066142.db2.gz IZOKCEUAVGOCMN-UHFFFAOYSA-N -1 0 302.352 0.650 50 0 DCAARM CNC(=O)N1CCC([C@@H]2CCN(C(=O)CCC(=O)[O-])C2)CC1 ZINC000169781855 396091652 /nfs/dbraw/zinc/09/16/52/396091652.db2.gz BXZABCFBYKLAML-GFCCVEGCSA-N -1 0 311.382 0.751 50 0 DCAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1C ZINC000072270468 396128726 /nfs/dbraw/zinc/12/87/26/396128726.db2.gz ODMWVUPRRVLRRI-UHFFFAOYSA-N -1 0 308.363 0.937 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)CCO1 ZINC000262385254 396133387 /nfs/dbraw/zinc/13/33/87/396133387.db2.gz JCGOQDSVABRHGH-NSHDSACASA-N -1 0 322.346 0.314 50 0 DCAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000263278705 396211383 /nfs/dbraw/zinc/21/13/83/396211383.db2.gz JFAYZPKDYDYVGL-MWLCHTKSSA-N -1 0 319.379 0.044 50 0 DCAARM COc1cccc2c1OCC(C(=O)N1CCO[C@@H](C(=O)[O-])C1)=C2 ZINC000262906582 396190900 /nfs/dbraw/zinc/19/09/00/396190900.db2.gz CAMRQYDQUZUPFZ-CYBMUJFWSA-N -1 0 319.313 0.783 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000262979116 396195681 /nfs/dbraw/zinc/19/56/81/396195681.db2.gz MTWPTUXQAOZWFM-AWEZNQCLSA-N -1 0 315.329 0.727 50 0 DCAARM Cn1cccc1C(=O)N1CCC2(CN(CC(=O)[O-])C(=O)O2)CC1 ZINC000077286334 396216989 /nfs/dbraw/zinc/21/69/89/396216989.db2.gz CTKDVYDJHHDVBR-UHFFFAOYSA-N -1 0 321.333 0.537 50 0 DCAARM O=C([O-])CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000263569784 396220639 /nfs/dbraw/zinc/22/06/39/396220639.db2.gz HSEHZZXEVWZKAT-UHFFFAOYSA-N -1 0 317.223 0.706 50 0 DCAARM CN(CC(=O)[O-])C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000265528748 396324428 /nfs/dbraw/zinc/32/44/28/396324428.db2.gz AKUIGOZANPAVSG-UHFFFAOYSA-N -1 0 306.318 0.735 50 0 DCAARM COCCn1cnnc1CNC(=O)[C@@H](C(=O)[O-])C1CCCCC1 ZINC000299775567 396714320 /nfs/dbraw/zinc/71/43/20/396714320.db2.gz KLQKKUVGODAZMH-ZDUSSCGKSA-N -1 0 324.381 0.822 50 0 DCAARM COCCCn1cnnc1[C@H](C)NC(=O)c1[nH]cnc1C(=O)[O-] ZINC000097301269 292385023 /nfs/dbraw/zinc/38/50/23/292385023.db2.gz MWFLERAWLXYSNT-QMMMGPOBSA-N -1 0 322.325 0.227 50 0 DCAARM O=c1ccc(=O)n(CN2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000006493888 415135068 /nfs/dbraw/zinc/13/50/68/415135068.db2.gz PPUQRXNOCLRWJL-UHFFFAOYSA-N -1 0 304.325 0.868 50 0 DCAARM COc1ccccc1N1CCN(c2nc(=O)c(C)n[n-]2)CC1 ZINC000008741417 415145635 /nfs/dbraw/zinc/14/56/35/415145635.db2.gz OGKQFHXMMWXSGH-UHFFFAOYSA-N -1 0 301.350 0.809 50 0 DCAARM Cc1oc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000269053219 415249685 /nfs/dbraw/zinc/24/96/85/415249685.db2.gz WFPURLKTWZYKKV-LBPRGKRZSA-N -1 0 316.335 0.172 50 0 DCAARM CNC(=O)C[C@H](C)N(C)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000097579027 415591118 /nfs/dbraw/zinc/59/11/18/415591118.db2.gz ZLEKRJDVLQBIAA-VIFPVBQESA-N -1 0 308.334 0.990 50 0 DCAARM C[C@@H](CN1CCOCC1)NC(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000101901954 415595624 /nfs/dbraw/zinc/59/56/24/415595624.db2.gz ZMJUNASALXWSHI-NSHDSACASA-N -1 0 310.394 0.398 50 0 DCAARM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CS2 ZINC000262902387 416337093 /nfs/dbraw/zinc/33/70/93/416337093.db2.gz BPRGBEVOBWPNBE-OQPBUACISA-N -1 0 324.362 0.360 50 0 DCAARM O=C(C[C@@H]1NC(=O)NC1=O)NCc1coc(-c2ccccc2)n1 ZINC000215232701 416327084 /nfs/dbraw/zinc/32/70/84/416327084.db2.gz OAQHPNKNMCVWAQ-NSHDSACASA-N -1 0 314.301 0.556 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000238070666 416329878 /nfs/dbraw/zinc/32/98/78/416329878.db2.gz WZSZOKANYJMODB-LBPRGKRZSA-N -1 0 301.302 0.472 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CSc3ccccc3O2)CCO1 ZINC000583650593 416480386 /nfs/dbraw/zinc/48/03/86/416480386.db2.gz PAVPLUGFVHSFDE-MNOVXSKESA-N -1 0 309.343 0.852 50 0 DCAARM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663091317 417988532 /nfs/dbraw/zinc/98/85/32/417988532.db2.gz JZURLBVNPPCPIM-CHWSQXEVSA-N -1 0 320.345 0.924 50 0 DCAARM CCC[C@H]1C(=O)NCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659761141 418178866 /nfs/dbraw/zinc/17/88/66/418178866.db2.gz XHEMNBWBZCMGJA-ZDUSSCGKSA-N -1 0 320.345 0.891 50 0 DCAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000656239201 418338209 /nfs/dbraw/zinc/33/82/09/418338209.db2.gz WGXUORNAXTZDMR-WDEREUQCSA-N -1 0 317.407 0.913 50 0 DCAARM CC1(C)S[C@H]2N(C(=O)[C@]2(N)[C@@H](O)c2ccccc2)[C@H]1C(=O)[O-] ZINC000071769531 281435149 /nfs/dbraw/zinc/43/51/49/281435149.db2.gz RDTMEFZPTLPOMU-UOJCWERNSA-N -1 0 322.386 0.564 50 0 DCAARM Cc1onc(N)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000263081707 302878092 /nfs/dbraw/zinc/87/80/92/302878092.db2.gz RURRPJXJBWSWBX-POYBYMJQSA-N -1 0 303.340 0.439 50 0 DCAARM Cn1nc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])ccc1=O ZINC000261788766 303042191 /nfs/dbraw/zinc/04/21/91/303042191.db2.gz SUAXCWHYYCALJL-AWEZNQCLSA-N -1 0 313.313 0.605 50 0 DCAARM COc1ccc(Cl)c(S(=O)(=O)[N-]N2CCCNC2=O)c1 ZINC000097166182 332193661 /nfs/dbraw/zinc/19/36/61/332193661.db2.gz SJNGFYCLOFHDNF-UHFFFAOYSA-N -1 0 319.770 0.957 50 0 DCAARM Cc1nnc(CCC(=O)NCCc2nc(C(=O)[O-])cs2)[nH]1 ZINC000534631043 334307432 /nfs/dbraw/zinc/30/74/32/334307432.db2.gz LYMNBGVLJUYCEI-UHFFFAOYSA-N -1 0 309.351 0.559 50 0 DCAARM N=c1nn[n-]n1CC(=O)NCCc1nc2ccccc2s1 ZINC000534667659 334319126 /nfs/dbraw/zinc/31/91/26/334319126.db2.gz UTUCGTIZCAVOQM-UHFFFAOYSA-N -1 0 303.351 0.054 50 0 DCAARM NC(=O)Cc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000299748776 534367968 /nfs/dbraw/zinc/36/79/68/534367968.db2.gz IDNIKVBNZAXJEB-ZDUSSCGKSA-N -1 0 320.345 0.559 50 0 DCAARM CCO[C@H]1C[C@@](NC(=O)c2nccnc2N)(C(=O)[O-])C1(C)C ZINC000262688452 520559017 /nfs/dbraw/zinc/55/90/17/520559017.db2.gz BKKAGEQNSUMWGF-RMLUDKJBSA-N -1 0 308.338 0.447 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000268971753 534526707 /nfs/dbraw/zinc/52/67/07/534526707.db2.gz HMUHMMPANXMTDX-AWEZNQCLSA-N -1 0 315.329 0.857 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000299752954 534525570 /nfs/dbraw/zinc/52/55/70/534525570.db2.gz WDYSGZSHECUQNH-LBPRGKRZSA-N -1 0 320.280 0.332 50 0 DCAARM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cscn1 ZINC000262099049 522436153 /nfs/dbraw/zinc/43/61/53/522436153.db2.gz DGTBSFWGNRCTIN-SECBINFHSA-N -1 0 311.363 0.538 50 0 DCAARM C[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)[O-] ZINC000237499133 524461880 /nfs/dbraw/zinc/46/18/80/524461880.db2.gz CFUUYOHCPBNOFL-LLVKDONJSA-N -1 0 315.329 0.742 50 0 DCAARM CC(=O)N[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000299747493 526881932 /nfs/dbraw/zinc/88/19/32/526881932.db2.gz DEGGTRIQWJKKKZ-KGLIPLIRSA-N -1 0 320.345 0.566 50 0 DCAARM O=C([O-])c1ccc(CC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)cc1 ZINC000685940256 548745491 /nfs/dbraw/zinc/74/54/91/548745491.db2.gz ASGXURNADJHIQC-ZIAGYGMSSA-N -1 0 319.357 0.974 50 0 DCAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000054053843 597478725 /nfs/dbraw/zinc/47/87/25/597478725.db2.gz MNXLTKMEYDBLLJ-SSDOTTSWSA-N -1 0 314.319 0.225 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000209154408 600024911 /nfs/dbraw/zinc/02/49/11/600024911.db2.gz SGOHYMBUGONIQR-WDZFZDKYSA-N -1 0 310.375 0.689 50 0 DCAARM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178261430 601276891 /nfs/dbraw/zinc/27/68/91/601276891.db2.gz AJOCFQJQMPMOJJ-SECBINFHSA-N -1 0 307.350 0.923 50 0 DCAARM COc1ccc2c([O-])nn(S(=O)(=O)C[C@@H](C)OC)c2c1 ZINC000585086385 662948157 /nfs/dbraw/zinc/94/81/57/662948157.db2.gz PSMPQDGTZRDQEB-MRVPVSSYSA-N -1 0 300.336 0.963 50 0 DCAARM O=C([O-])[C@@]12CN(S(=O)(=O)CC3CCCC3)C[C@@H]1COCC2 ZINC001772712323 1157849705 /nfs/dbraw/zinc/84/97/05/1157849705.db2.gz ORVAZIROBMTJGW-OCCSQVGLSA-N -1 0 317.407 0.930 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001704298232 1179964670 /nfs/dbraw/zinc/96/46/70/1179964670.db2.gz HYSUUWFOUXFVFG-NWDGAFQWSA-N -1 0 313.375 0.760 50 0 DCAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3n[nH]c4ncnn34)ccc2O1 ZINC000585129715 766291046 /nfs/dbraw/zinc/29/10/46/766291046.db2.gz SOZBFUQWZZKUSG-SSDOTTSWSA-N -1 0 320.334 0.577 50 0 DCAARM CSC[C@H](NC(=O)CSc1nnc(N)s1)C(=O)[O-] ZINC001506412742 1017258228 /nfs/dbraw/zinc/25/82/28/1017258228.db2.gz NQZVRFFGZLGYJX-BYPYZUCNSA-N -1 0 308.410 0.145 50 0 DCAARM CCN(CCn1cccn1)C(=O)c1cnc2nc(C)[n-]n2c1=O ZINC001506413761 1017264418 /nfs/dbraw/zinc/26/44/18/1017264418.db2.gz MELDHKTYEKQIOX-UHFFFAOYSA-N -1 0 315.337 0.085 50 0 DCAARM CCc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000095481304 185373918 /nfs/dbraw/zinc/37/39/18/185373918.db2.gz BYXNYHPMEAWBOU-GHMZBOCLSA-N -1 0 301.302 0.239 50 0 DCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1CC(=O)NCc1cccs1 ZINC000095497795 185374402 /nfs/dbraw/zinc/37/44/02/185374402.db2.gz VIBDCSJVJRFXDN-LBPRGKRZSA-N -1 0 320.374 0.599 50 0 DCAARM CN(CCC(=O)[O-])C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000268922589 529872718 /nfs/dbraw/zinc/87/27/18/529872718.db2.gz BSGMRWAKCDAAQH-OAHLLOKOSA-N -1 0 319.317 0.288 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1C(=O)[O-])CC2 ZINC000262402717 530033650 /nfs/dbraw/zinc/03/36/50/530033650.db2.gz MQGXUOHAYLSRJP-GHMZBOCLSA-N -1 0 324.358 0.205 50 0 DCAARM CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)[O-] ZINC000071334065 190959380 /nfs/dbraw/zinc/95/93/80/190959380.db2.gz KCRRTSPBAVBYCI-OAHLLOKOSA-N -1 0 321.377 0.738 50 0 DCAARM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000003426348 181018075 /nfs/dbraw/zinc/01/80/75/181018075.db2.gz AMMYKSFYQAISTF-TVQRCGJNSA-N -1 0 309.343 0.952 50 0 DCAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000004117651 181075574 /nfs/dbraw/zinc/07/55/74/181075574.db2.gz PAZRNFHBUAVIRN-UONOGXRCSA-N -1 0 306.362 0.959 50 0 biogenic,in-vitro DCAARM O=C([N-]C(=O)c1ccc(F)cc1)O[C@H]1CCS(=O)(=O)C1 ZINC000004580462 181126682 /nfs/dbraw/zinc/12/66/82/181126682.db2.gz SFPCQYGJEWGKNB-JTQLQIEISA-N -1 0 301.295 0.879 50 0 DCAARM Cc1ccn2c(c1)ncc(C(=O)N1CC[C@H](C(=O)[O-])C1)c2=O ZINC000237861945 202372079 /nfs/dbraw/zinc/37/20/79/202372079.db2.gz ZERICVBXJXTQMF-JTQLQIEISA-N -1 0 301.302 0.550 50 0 DCAARM Cc1cccc(-n2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])nn2)c1 ZINC000268973004 238253575 /nfs/dbraw/zinc/25/35/75/238253575.db2.gz HWSNLPDUMLMQER-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CCSC1 ZINC000271890705 209299630 /nfs/dbraw/zinc/29/96/30/209299630.db2.gz JXSVRLRBMMUKKM-AWEZNQCLSA-N -1 0 322.342 0.708 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000246743872 304122344 /nfs/dbraw/zinc/12/23/44/304122344.db2.gz HDFKIUSIWBQUNW-GJMOJQLCSA-N -1 0 308.256 0.377 50 0 DCAARM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)[C@@H](O)Cc1ccccc1 ZINC000263457511 296108448 /nfs/dbraw/zinc/10/84/48/296108448.db2.gz UXINWCLFRDAUOT-YGRLFVJLSA-N -1 0 315.329 0.897 50 0 DCAARM O=C([O-])c1cccc(OCCNC(=O)[C@@H]2CCCNC2=O)c1 ZINC000222391146 201609923 /nfs/dbraw/zinc/60/99/23/201609923.db2.gz WYDZASNMPIGDEZ-GFCCVEGCSA-N -1 0 306.318 0.406 50 0 DCAARM CC(C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000009485610 181624908 /nfs/dbraw/zinc/62/49/08/181624908.db2.gz MGOSDLIBQDESMR-ZDUSSCGKSA-N -1 0 303.318 0.691 50 0 DCAARM CC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000011867191 181713408 /nfs/dbraw/zinc/71/34/08/181713408.db2.gz SPJWSHIPSVMOHD-SNVBAGLBSA-N -1 0 304.306 0.161 50 0 DCAARM CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000012504853 181768613 /nfs/dbraw/zinc/76/86/13/181768613.db2.gz ZSBFDIPIJCQQCV-SNVBAGLBSA-N -1 0 319.766 0.958 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2 ZINC000018180591 182097099 /nfs/dbraw/zinc/09/70/99/182097099.db2.gz CKGDVBSADPGILL-GHMZBOCLSA-N -1 0 301.302 0.375 50 0 DCAARM O=C([O-])c1cnn(CC(=O)NCCn2ccc(C3CC3)n2)c1 ZINC000020602738 182237246 /nfs/dbraw/zinc/23/72/46/182237246.db2.gz YUTAGTKAOYCABY-UHFFFAOYSA-N -1 0 303.322 0.472 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000032848294 182671028 /nfs/dbraw/zinc/67/10/28/182671028.db2.gz IFHMNKIZFFSXBM-OAHLLOKOSA-N -1 0 305.334 0.911 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000032848307 182671076 /nfs/dbraw/zinc/67/10/76/182671076.db2.gz HZXDVRSWULLKBR-OAHLLOKOSA-N -1 0 321.333 0.530 50 0 DCAARM CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2[nH]cnc2C(=O)[O-])C1 ZINC000215332980 284547163 /nfs/dbraw/zinc/54/71/63/284547163.db2.gz OIDVDMYRGCVONB-JTQLQIEISA-N -1 0 322.365 0.829 50 0 DCAARM CC[C@]1(c2ccc(OC)c(OC)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842212 184056361 /nfs/dbraw/zinc/05/63/61/184056361.db2.gz RBDYSGSIXDYPMX-OAHLLOKOSA-N -1 0 322.317 0.946 50 0 DCAARM CC(C)n1cc(C(=O)[O-])c(S(=O)(=O)N2CCSCC2)n1 ZINC000065240429 184317379 /nfs/dbraw/zinc/31/73/79/184317379.db2.gz RLSROWKDBQWJQM-UHFFFAOYSA-N -1 0 319.408 0.900 50 0 DCAARM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2cnn(C)c2n1 ZINC000427965187 257235534 /nfs/dbraw/zinc/23/55/34/257235534.db2.gz PSUAASXJIOMBJU-LLVKDONJSA-N -1 0 304.306 0.202 50 0 DCAARM C[C@H](NC(=O)c1cc(C2CC2)n[nH]1)c1n[nH]c(CC(=O)[O-])n1 ZINC000426589884 257245883 /nfs/dbraw/zinc/24/58/83/257245883.db2.gz AQUGDJFAVCQSLO-LURJTMIESA-N -1 0 304.310 0.523 50 0 DCAARM C[C@H](C(=O)NCCCc1nnn[n-]1)n1c2ccccc2oc1=O ZINC000426478922 257249566 /nfs/dbraw/zinc/24/95/66/257249566.db2.gz LUHZQGRQUSSIKA-SECBINFHSA-N -1 0 316.321 0.418 50 0 DCAARM COc1cccc(CO[C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268968898 533526832 /nfs/dbraw/zinc/52/68/32/533526832.db2.gz FIUUZPNOMUDCNN-SMDDNHRTSA-N -1 0 323.345 0.912 50 0 DCAARM COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000008939836 395685065 /nfs/dbraw/zinc/68/50/65/395685065.db2.gz DDTVYRVUEMUBRK-JTQLQIEISA-N -1 0 315.347 0.313 50 0 DCAARM CN1CCN(C(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)CC1 ZINC000014554088 395689629 /nfs/dbraw/zinc/68/96/29/395689629.db2.gz ITWCFXXYOKHJBT-UHFFFAOYSA-N -1 0 319.361 0.878 50 0 DCAARM O=C([O-])CNS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000000828930 395680723 /nfs/dbraw/zinc/68/07/23/395680723.db2.gz LWURWVOYSYFJSO-UHFFFAOYSA-N -1 0 306.299 0.768 50 0 DCAARM O=C([O-])CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 ZINC000002387723 395681566 /nfs/dbraw/zinc/68/15/66/395681566.db2.gz AYTAMHBTFHWZJF-JXMROGBWSA-N -1 0 304.258 0.844 50 0 DCAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000002929127 395682020 /nfs/dbraw/zinc/68/20/20/395682020.db2.gz GHHKQGBWJHGJPB-LBPRGKRZSA-N -1 0 324.358 0.809 50 0 DCAARM CCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)NC)o2)s1 ZINC000030568714 395702961 /nfs/dbraw/zinc/70/29/61/395702961.db2.gz DGMGZPUPMMEYEG-UHFFFAOYSA-N -1 0 316.364 0.854 50 0 DCAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000036975341 395725392 /nfs/dbraw/zinc/72/53/92/395725392.db2.gz FOTJLPRJSCCHQZ-AXFHLTTASA-N -1 0 320.411 0.274 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(c2ncccc2C(N)=O)C1 ZINC000091943022 395727820 /nfs/dbraw/zinc/72/78/20/395727820.db2.gz KRMHLQUCQSXODW-OAHLLOKOSA-N -1 0 307.350 0.888 50 0 DCAARM CCCCN(CC(N)=O)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037837238 395729631 /nfs/dbraw/zinc/72/96/31/395729631.db2.gz CNLFLVXYAAKCDT-UHFFFAOYSA-N -1 0 314.363 0.661 50 0 DCAARM CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cn1 ZINC000096404502 395752958 /nfs/dbraw/zinc/75/29/58/395752958.db2.gz BHHYKXJSCSRDLH-UHFFFAOYSA-N -1 0 323.378 0.386 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000100048819 395762055 /nfs/dbraw/zinc/76/20/55/395762055.db2.gz UMEIVWNFSLFZMY-RYUDHWBXSA-N -1 0 315.329 0.684 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000100048817 395762210 /nfs/dbraw/zinc/76/22/10/395762210.db2.gz UMEIVWNFSLFZMY-NWDGAFQWSA-N -1 0 315.329 0.684 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000101000461 395763901 /nfs/dbraw/zinc/76/39/01/395763901.db2.gz XKHMORBPEMNJAJ-WCBMZHEXSA-N -1 0 320.236 0.210 50 0 DCAARM O=C(NCc1ccccc1)c1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000101094460 395764286 /nfs/dbraw/zinc/76/42/86/395764286.db2.gz VSROFFJWHNSBPQ-UHFFFAOYSA-N -1 0 309.329 0.836 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000062913611 395973657 /nfs/dbraw/zinc/97/36/57/395973657.db2.gz ANCKDWVQDFBFKI-GWCFXTLKSA-N -1 0 318.395 0.124 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1 ZINC000261774493 396064510 /nfs/dbraw/zinc/06/45/10/396064510.db2.gz RITAGTUWAIKJGW-LBPRGKRZSA-N -1 0 316.317 0.583 50 0 DCAARM Cc1ncc(C(=O)[N-]S(=O)(=O)CC2CCOCC2)s1 ZINC000170646091 396096072 /nfs/dbraw/zinc/09/60/72/396096072.db2.gz YQIFSQCKBXIGLL-UHFFFAOYSA-N -1 0 304.393 0.938 50 0 DCAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000492114269 397512670 /nfs/dbraw/zinc/51/26/70/397512670.db2.gz ATXXXDIANTWQOI-IRBQFCFKSA-N -1 0 318.329 0.371 50 0 DCAARM O=C([O-])CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000238185622 158644888 /nfs/dbraw/zinc/64/48/88/158644888.db2.gz DPTXFGJJJUICPW-GFCCVEGCSA-N -1 0 316.313 0.822 50 0 DCAARM Cn1[nH]c(Cn2cc(C(F)(F)F)cc(Cl)c2=O)nc1=O ZINC000329864649 159124178 /nfs/dbraw/zinc/12/41/78/159124178.db2.gz ZUXUJIAAOLKKLS-UHFFFAOYSA-N -1 0 308.647 0.991 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC000299753369 292452173 /nfs/dbraw/zinc/45/21/73/292452173.db2.gz XZLJGAZKROJOBW-LBPRGKRZSA-N -1 0 323.345 0.806 50 0 DCAARM COCCOc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000268996166 415247709 /nfs/dbraw/zinc/24/77/09/415247709.db2.gz VSBYWHMOCXOUOY-CYBMUJFWSA-N -1 0 309.318 0.637 50 0 DCAARM COC(=O)c1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC000048249715 415288018 /nfs/dbraw/zinc/28/80/18/415288018.db2.gz TXOSWQBHIRWFLA-UHFFFAOYSA-N -1 0 324.318 0.247 50 0 DCAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000095966918 415566577 /nfs/dbraw/zinc/56/65/77/415566577.db2.gz XDJGXNXSVVKJES-UHFFFAOYSA-N -1 0 316.239 0.969 50 0 DCAARM COC[C@@](C)(CC(=O)[O-])NC(=O)CCCNC(=O)C(C)(C)C ZINC000095989826 415568155 /nfs/dbraw/zinc/56/81/55/415568155.db2.gz XZCNABAWIPRMDV-OAHLLOKOSA-N -1 0 316.398 0.925 50 0 DCAARM COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1 ZINC000101763545 415595316 /nfs/dbraw/zinc/59/53/16/415595316.db2.gz AXSZUZUXERAKKY-JTQLQIEISA-N -1 0 316.317 0.227 50 0 DCAARM Cc1cc2nc(CN3CC[C@@]4(CN(C)C(=O)O4)C3)cc(=O)n2[n-]1 ZINC000101797591 415596589 /nfs/dbraw/zinc/59/65/89/415596589.db2.gz HBRRFPPOWQAODZ-OAHLLOKOSA-N -1 0 317.349 0.358 50 0 DCAARM COCCN1C(=O)C[C@@](CC(=O)[O-])(c2cccc(OC)c2)C1=O ZINC000299758798 416064453 /nfs/dbraw/zinc/06/44/53/416064453.db2.gz LWFRRHCBOBJKGI-MRXNPFEDSA-N -1 0 321.329 0.813 50 0 DCAARM Cc1ncn(C)c1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299787990 416069896 /nfs/dbraw/zinc/06/98/96/416069896.db2.gz ZPPXKCNUHQZJLF-VHSXEESVSA-N -1 0 318.337 0.177 50 0 DCAARM CN(C)c1ccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000299802997 416071357 /nfs/dbraw/zinc/07/13/57/416071357.db2.gz ZTTNNEUTOMPSTN-CQSZACIVSA-N -1 0 306.362 0.997 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000238080943 416329786 /nfs/dbraw/zinc/32/97/86/416329786.db2.gz MAMSVBFQWADHON-CYBMUJFWSA-N -1 0 313.313 0.922 50 0 DCAARM CC(C)n1cnc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000530142823 417542541 /nfs/dbraw/zinc/54/25/41/417542541.db2.gz KRAPYGMRUPKGOW-AOOOYVTPSA-N -1 0 301.368 0.948 50 0 DCAARM COc1ccc([C@@H]2[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC(=O)N2C)cc1 ZINC000299740082 229374880 /nfs/dbraw/zinc/37/48/80/229374880.db2.gz VNIWIJPDBCZFQP-MRCXROJRSA-N -1 0 320.345 0.804 50 0 DCAARM COc1ccc(-c2nnc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])[nH]2)cc1 ZINC000299741658 229377150 /nfs/dbraw/zinc/37/71/50/229377150.db2.gz ABWCGHBETTVDHV-MNOVXSKESA-N -1 0 316.317 0.817 50 0 DCAARM CC1(C)Cc2c(sc3[nH]c(=O)n(CC(=O)[O-])c(=O)c32)CO1 ZINC000009332479 281370027 /nfs/dbraw/zinc/37/00/27/281370027.db2.gz XUYJWMJVZIXCRY-UHFFFAOYSA-N -1 0 310.331 0.687 50 0 DCAARM COc1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1N1CCNC1=O ZINC000263266605 295078782 /nfs/dbraw/zinc/07/87/82/295078782.db2.gz HLUFUIRBMUPULB-VIFPVBQESA-N -1 0 321.333 0.770 50 0 DCAARM CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000218491945 340496029 /nfs/dbraw/zinc/49/60/29/340496029.db2.gz YKGNFQSXCHNISB-GMTAPVOTSA-N -1 0 303.380 0.523 50 0 DCAARM COc1cc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000268968881 533749568 /nfs/dbraw/zinc/74/95/68/533749568.db2.gz FGIORYIPWHQSDY-AWEZNQCLSA-N -1 0 323.345 0.948 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000299753518 534510134 /nfs/dbraw/zinc/51/01/34/534510134.db2.gz YJQKHLQWKCWKTJ-NSHDSACASA-N -1 0 303.274 0.746 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000262505674 534539236 /nfs/dbraw/zinc/53/92/36/534539236.db2.gz OEJQFJBTESNGOO-CYBMUJFWSA-N -1 0 318.329 0.739 50 0 DCAARM Cc1noc(C)c1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262229174 526467779 /nfs/dbraw/zinc/46/77/79/526467779.db2.gz SCVBZOWSBQBMSU-NSHDSACASA-N -1 0 323.349 0.687 50 0 DCAARM Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000263081708 545986004 /nfs/dbraw/zinc/98/60/04/545986004.db2.gz RURRPJXJBWSWBX-SVRRBLITSA-N -1 0 303.340 0.439 50 0 DCAARM CN1CCO[C@@H]2CN(C(=O)Cc3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000888097843 661177008 /nfs/dbraw/zinc/17/70/08/661177008.db2.gz QKWJQKIFVDUFRI-UONOGXRCSA-N -1 0 304.346 0.469 50 0 DCAARM CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000950756044 662117382 /nfs/dbraw/zinc/11/73/82/662117382.db2.gz DXOKNUCSHKQCCV-IUCAKERBSA-N -1 0 307.368 0.789 50 0 DCAARM CN(C)c1nc(NCc2n[nH]c(=O)[n-]2)cc(C(F)(F)F)n1 ZINC000952989415 685602836 /nfs/dbraw/zinc/60/28/36/685602836.db2.gz WXTBDPJNPFZDCK-UHFFFAOYSA-N -1 0 303.248 0.997 50 0 DCAARM CCN(C)c1cc(N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)ncn1 ZINC001704312160 1179969453 /nfs/dbraw/zinc/96/94/53/1179969453.db2.gz LZPFCMSKACBPGX-QMMMGPOBSA-N -1 0 305.342 0.851 50 0 DCAARM CO[C@H]1COC[C@@H]1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000824506858 758777871 /nfs/dbraw/zinc/77/78/71/758777871.db2.gz WCVFQRPSABPHSH-BQBZGAKWSA-N -1 0 307.349 0.138 50 0 DCAARM Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)nc(C)n1 ZINC000584907988 766236763 /nfs/dbraw/zinc/23/67/63/766236763.db2.gz KKAKWGAIBAKGBU-VXGBXAGGSA-N -1 0 304.350 0.463 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCN(C(=O)OCC(F)(F)F)C2)C1 ZINC000952876109 768938268 /nfs/dbraw/zinc/93/82/68/768938268.db2.gz YOVRIQHIELLTAH-JGVFFNPUSA-N -1 0 324.255 0.693 50 0 DCAARM CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCC(=O)[O-])O1 ZINC001529578025 1014568328 /nfs/dbraw/zinc/56/83/28/1014568328.db2.gz PQJQDUMTNKVEQJ-KDQWQRHNSA-N -1 0 318.322 0.484 50 0 DCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1 ZINC001506399727 1017256268 /nfs/dbraw/zinc/25/62/68/1017256268.db2.gz PYUUHOUVNGYMKE-RKDXNWHRSA-N -1 0 319.310 0.097 50 0 DCAARM CSC[C@H](NC(=O)/C=C/c1cnc(N(C)C)nc1)C(=O)[O-] ZINC001506408553 1017258528 /nfs/dbraw/zinc/25/85/28/1017258528.db2.gz NBMVJAYJAOMQLZ-YEZKRMTDSA-N -1 0 310.379 0.488 50 0 DCAARM CCn1nc(C(=O)NCCc2ccc(C(=O)[O-])cc2)ccc1=O ZINC000095398112 185353383 /nfs/dbraw/zinc/35/33/83/185353383.db2.gz LJCCNSQXPPPRPK-UHFFFAOYSA-N -1 0 315.329 0.934 50 0 DCAARM CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000262164972 530037074 /nfs/dbraw/zinc/03/70/74/530037074.db2.gz UBJJOIDEXQSSAX-QMMMGPOBSA-N -1 0 318.376 0.345 50 0 DCAARM C[C@H](C(=O)[O-])N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000226087161 201766735 /nfs/dbraw/zinc/76/67/35/201766735.db2.gz FBUORZSDBYQLDS-MRVPVSSYSA-N -1 0 301.320 0.697 50 0 DCAARM C[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(=O)[O-] ZINC000136009836 299140712 /nfs/dbraw/zinc/14/07/12/299140712.db2.gz JAARVQDZUJVXQE-GARJFASQSA-N -1 0 305.334 0.450 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)c2ccccc2-n2cccn2)CC1 ZINC000071750206 191021634 /nfs/dbraw/zinc/02/16/34/191021634.db2.gz VVXFUQCFEDYEAB-UHFFFAOYSA-N -1 0 315.329 0.924 50 0 DCAARM O=C([O-])[C@H]1C[C@@H](C(=O)N2CCCC2)CN(C(=O)c2ccc[nH]2)C1 ZINC000072152101 191056910 /nfs/dbraw/zinc/05/69/10/191056910.db2.gz YSFSSWLURBLEAH-NEPJUHHUSA-N -1 0 319.361 0.800 50 0 DCAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237503653 186298467 /nfs/dbraw/zinc/29/84/67/186298467.db2.gz FDDCWUONZIVOFN-GWCFXTLKSA-N -1 0 323.393 0.918 50 0 DCAARM CN(CC(=O)N1CCOC[C@@H]1CC(=O)[O-])Cc1ccccc1F ZINC000072419419 191156949 /nfs/dbraw/zinc/15/69/49/191156949.db2.gz DEDVDMBPOQMXDB-ZDUSSCGKSA-N -1 0 324.352 0.960 50 0 DCAARM O=C([O-])C1(n2cccn2)CCN(c2ncnc3nc[nH]c32)CC1 ZINC000072420217 191156580 /nfs/dbraw/zinc/15/65/80/191156580.db2.gz CLPJKYYQNDUGPI-UHFFFAOYSA-N -1 0 313.321 0.630 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CCOC3)CC2)c1 ZINC000072430937 191163365 /nfs/dbraw/zinc/16/33/65/191163365.db2.gz BOJBHAOLRGFZJM-GFCCVEGCSA-N -1 0 307.350 0.630 50 0 DCAARM COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)c1OC ZINC000004942706 181176993 /nfs/dbraw/zinc/17/69/93/181176993.db2.gz RNIAIHCXEHGZRT-VIFPVBQESA-N -1 0 303.278 0.674 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)CCn2c(=O)oc3ccccc32)C1 ZINC000238085657 202437336 /nfs/dbraw/zinc/43/73/36/202437336.db2.gz IHFFCBXVFUEESA-JTQLQIEISA-N -1 0 304.302 0.918 50 0 DCAARM COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CCC(=O)[O-] ZINC000006184384 181317921 /nfs/dbraw/zinc/31/79/21/181317921.db2.gz ALSLWMUPNVWCCL-UHFFFAOYSA-N -1 0 314.319 0.745 50 0 DCAARM CCn1cc(NC(=O)CCC(=O)[O-])c(C(=O)NCCOC)n1 ZINC000006490186 181345237 /nfs/dbraw/zinc/34/52/37/181345237.db2.gz PXLYWSIKEDMHGU-UHFFFAOYSA-N -1 0 312.326 0.083 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000269215448 304120556 /nfs/dbraw/zinc/12/05/56/304120556.db2.gz XUWHZAIWFSDXGE-SNVBAGLBSA-N -1 0 323.349 0.174 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000246743858 304122366 /nfs/dbraw/zinc/12/23/66/304122366.db2.gz HDFKIUSIWBQUNW-CSMHCCOUSA-N -1 0 308.256 0.377 50 0 DCAARM COCCC[C@]1(C(=O)[O-])CCCN(c2cncc(C(N)=O)n2)C1 ZINC000091535956 193070519 /nfs/dbraw/zinc/07/05/19/193070519.db2.gz UWQDFOGLGKNNCN-OAHLLOKOSA-N -1 0 322.365 0.673 50 0 DCAARM C[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084851 296097338 /nfs/dbraw/zinc/09/73/38/296097338.db2.gz VFXAXQFWZWULTE-LIEFSGRHSA-N -1 0 306.343 0.846 50 0 biogenic DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)NCCc1ccccc1 ZINC000223418374 201644132 /nfs/dbraw/zinc/64/41/32/201644132.db2.gz FDLLTHXWTZFQBK-KGLIPLIRSA-N -1 0 322.361 0.787 50 0 DCAARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299753299 296208771 /nfs/dbraw/zinc/20/87/71/296208771.db2.gz XSOZDFVVUBCTDE-ZWNOBZJWSA-N -1 0 304.302 0.638 50 0 DCAARM CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000042280357 183249550 /nfs/dbraw/zinc/24/95/50/183249550.db2.gz GLZDSXZTFHXDSR-UHFFFAOYSA-N -1 0 313.303 0.372 50 0 DCAARM O=C([O-])COCC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000044980422 183473631 /nfs/dbraw/zinc/47/36/31/183473631.db2.gz PFNLIQWIOMOPOG-UHFFFAOYSA-N -1 0 303.318 0.649 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)NCCCc2nnn[n-]2)c2ccccc21 ZINC000426690220 257244300 /nfs/dbraw/zinc/24/43/00/257244300.db2.gz CVPOLSHSUGXKPL-LLVKDONJSA-N -1 0 314.349 0.399 50 0 DCAARM CCC[C@H](NC(=O)c1cc2ncc(CCO)cn2n1)C(=O)[O-] ZINC000426533787 257247764 /nfs/dbraw/zinc/24/77/64/257247764.db2.gz LOTOJWJGCRDWIJ-JTQLQIEISA-N -1 0 306.322 0.247 50 0 DCAARM Cc1[nH]ccc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1 ZINC000299762327 533644951 /nfs/dbraw/zinc/64/49/51/533644951.db2.gz UHIWOGUPMCMXRK-CMPLNLGQSA-N -1 0 317.349 0.782 50 0 DCAARM NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000214410 395680028 /nfs/dbraw/zinc/68/00/28/395680028.db2.gz MWRFKQKVOHOVAF-NEPJUHHUSA-N -1 0 324.358 0.940 50 0 DCAARM Cn1c2cn(CC(=O)[O-])c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000000538885 395680573 /nfs/dbraw/zinc/68/05/73/395680573.db2.gz VLDGNGQRRROZEN-UHFFFAOYSA-N -1 0 313.313 0.790 50 0 DCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000001232361 395680669 /nfs/dbraw/zinc/68/06/69/395680669.db2.gz BFNZMVHBWCKJGA-UHFFFAOYSA-N -1 0 316.726 0.221 50 0 DCAARM Cn1cc(Br)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374641 395707397 /nfs/dbraw/zinc/70/73/97/395707397.db2.gz QKNGSSFIOYRJIG-SECBINFHSA-N -1 0 317.139 0.713 50 0 DCAARM C[C@@H]1Oc2ccccc2N(CC(=O)N(C)CCC(=O)[O-])C1=O ZINC000095970536 395741169 /nfs/dbraw/zinc/74/11/69/395741169.db2.gz NZHQRQNKGJELAC-JTQLQIEISA-N -1 0 306.318 0.734 50 0 DCAARM Cc1ccc(-c2nc(CCn3cnnn3)n(CC(=O)[O-])n2)o1 ZINC000097272538 395756447 /nfs/dbraw/zinc/75/64/47/395756447.db2.gz STINDQNBRZXOII-UHFFFAOYSA-N -1 0 303.282 0.160 50 0 DCAARM CN1C[C@H](c2nc(C3CCOCC3)nn2CC(=O)[O-])CC1=O ZINC000097527291 395758580 /nfs/dbraw/zinc/75/85/80/395758580.db2.gz JCFBGYQRDJWMPE-SNVBAGLBSA-N -1 0 308.338 0.202 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000100165849 395762898 /nfs/dbraw/zinc/76/28/98/395762898.db2.gz WWOFOTPRBADOQH-MWLCHTKSSA-N -1 0 306.249 0.633 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100510410 395763176 /nfs/dbraw/zinc/76/31/76/395763176.db2.gz QQXQXQPYWRSPSW-QWRGUYRKSA-N -1 0 301.302 0.375 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100510423 395763179 /nfs/dbraw/zinc/76/31/79/395763179.db2.gz DUSKOZOKHATRJQ-ZJUUUORDSA-N -1 0 321.720 0.720 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100639778 395763611 /nfs/dbraw/zinc/76/36/11/395763611.db2.gz KNLOLCCCXCVSNW-QWRGUYRKSA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000100639129 395763616 /nfs/dbraw/zinc/76/36/16/395763616.db2.gz ABFHOVXTVRLVQZ-ZYHUDNBSSA-N -1 0 302.286 0.802 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2nc3c(cc2=O)CCCC3)C1 ZINC000049545536 395832666 /nfs/dbraw/zinc/83/26/66/395832666.db2.gz CSZQUVBUUSLCJK-GFCCVEGCSA-N -1 0 319.361 0.445 50 0 DCAARM COCCCn1c(C)cc(C)c(C(=O)Nc2nnn[n-]2)c1=O ZINC000218528353 395842725 /nfs/dbraw/zinc/84/27/25/395842725.db2.gz ULWDFEPGPVWLEH-UHFFFAOYSA-N -1 0 306.326 0.267 50 0 DCAARM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@H](F)CC1CCCCC1 ZINC000253397595 396026883 /nfs/dbraw/zinc/02/68/83/396026883.db2.gz XVBVNHLHWBDYFY-LLVKDONJSA-N -1 0 322.402 0.877 50 0 DCAARM Cn1cc(N2CC[C@H](NC(=O)c3cc(C(=O)[O-])co3)C2=O)cn1 ZINC000262368288 396131227 /nfs/dbraw/zinc/13/12/27/396131227.db2.gz LDHDLAVABVPNBE-JTQLQIEISA-N -1 0 318.289 0.247 50 0 DCAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1cnsn1)C2 ZINC000072407820 396131476 /nfs/dbraw/zinc/13/14/76/396131476.db2.gz STJYAPVMCOWKMM-UHFFFAOYSA-N -1 0 321.362 0.798 50 0 DCAARM COc1c(F)ccc(F)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262919134 396192243 /nfs/dbraw/zinc/19/22/43/396192243.db2.gz UUNXXVVOIWDPGH-VIFPVBQESA-N -1 0 301.245 0.899 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)CCO1 ZINC000262987898 396196451 /nfs/dbraw/zinc/19/64/51/396196451.db2.gz NZCVZCYADNYDRP-AWEZNQCLSA-N -1 0 315.329 0.857 50 0 DCAARM NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)o1 ZINC000585146000 396642025 /nfs/dbraw/zinc/64/20/25/396642025.db2.gz ZYFGETUQXXZBPH-UHFFFAOYSA-N -1 0 316.335 0.444 50 0 DCAARM O=C(c1ccc(Cl)cn1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000585142182 396642233 /nfs/dbraw/zinc/64/22/33/396642233.db2.gz RADLEEBODLOVHW-UHFFFAOYSA-N -1 0 308.729 0.372 50 0 DCAARM COCc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000578221353 397407615 /nfs/dbraw/zinc/40/76/15/397407615.db2.gz RFNZDHHRAYPICO-GFCCVEGCSA-N -1 0 315.347 0.307 50 0 DCAARM CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000262684111 158834426 /nfs/dbraw/zinc/83/44/26/158834426.db2.gz BRDYCTCDNFPXPH-NEPJUHHUSA-N -1 0 311.382 0.750 50 0 DCAARM CC(C)(C)OC(=O)N1CCN(c2ncccn2)[C@@H](C(=O)[O-])C1 ZINC000072202868 415407329 /nfs/dbraw/zinc/40/73/29/415407329.db2.gz WOROVQVSCFKCJK-SNVBAGLBSA-N -1 0 308.338 0.987 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])oc1C ZINC000274945554 415369202 /nfs/dbraw/zinc/36/92/02/415369202.db2.gz RSTJYFYNVTYXJJ-ZCFIWIBFSA-N -1 0 305.308 0.374 50 0 DCAARM Cc1nc(CC(=O)NCCn2[n-]c(=O)ccc2=O)c(C)s1 ZINC000067641809 415379968 /nfs/dbraw/zinc/37/99/68/415379968.db2.gz WYSHXWRLUVCBRU-UHFFFAOYSA-N -1 0 308.363 0.381 50 0 DCAARM O=C([O-])C1(NC(=O)c2scc3c2OCCO3)CCOCC1 ZINC000299762487 416066213 /nfs/dbraw/zinc/06/62/13/416066213.db2.gz XRSZMMIVBUYHTM-UHFFFAOYSA-N -1 0 313.331 0.883 50 0 DCAARM Cc1cnn(CC(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)c1 ZINC000299770895 416066497 /nfs/dbraw/zinc/06/64/97/416066497.db2.gz NUIXQAFUWGKPJA-WDEREUQCSA-N -1 0 318.337 0.027 50 0 DCAARM O=C(C[C@H]1NC(=O)c2ccccc21)NC1(C(=O)[O-])CCOCC1 ZINC000244594035 416330558 /nfs/dbraw/zinc/33/05/58/416330558.db2.gz DFKNFWRLVOPMHX-GFCCVEGCSA-N -1 0 318.329 0.611 50 0 DCAARM O=C([O-])CN1CC[C@H](n2nnnc2/C=C/c2ccccc2)C1=O ZINC000663219380 418001194 /nfs/dbraw/zinc/00/11/94/418001194.db2.gz INICQBJORGWDLZ-SYTKJHMZSA-N -1 0 313.317 0.702 50 0 DCAARM COc1ccc(-c2nnc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])[nH]2)cc1 ZINC000299741657 229377395 /nfs/dbraw/zinc/37/73/95/229377395.db2.gz ABWCGHBETTVDHV-GHMZBOCLSA-N -1 0 316.317 0.817 50 0 DCAARM COc1ccc(-c2nnc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])[nH]2)cc1 ZINC000299741660 229378240 /nfs/dbraw/zinc/37/82/40/229378240.db2.gz ABWCGHBETTVDHV-WDEREUQCSA-N -1 0 316.317 0.817 50 0 DCAARM COCCN1C[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000299744681 229384323 /nfs/dbraw/zinc/38/43/23/229384323.db2.gz UDYSNEUQJSGYND-MOENNCHZSA-N -1 0 312.366 0.241 50 0 DCAARM Cc1ccc(-n2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000299748098 229390936 /nfs/dbraw/zinc/39/09/36/229390936.db2.gz FZQHBCVIFIEIOZ-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299750061 229394637 /nfs/dbraw/zinc/39/46/37/229394637.db2.gz MOEKBKJRWYVSIB-ZANVPECISA-N -1 0 309.366 0.528 50 0 DCAARM O=C([O-])CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000299752819 229396468 /nfs/dbraw/zinc/39/64/68/229396468.db2.gz VOWFXBXFJUYSHN-JTQLQIEISA-N -1 0 320.301 0.012 50 0 DCAARM CC[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC000268942243 288013983 /nfs/dbraw/zinc/01/39/83/288013983.db2.gz SXCLPGXPSGRDEL-NTZNESFSSA-N -1 0 322.365 0.309 50 0 DCAARM CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)CC1 ZINC000237227063 290051608 /nfs/dbraw/zinc/05/16/08/290051608.db2.gz QSFRZGREJLVITC-UHFFFAOYSA-N -1 0 324.402 0.810 50 0 DCAARM C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000269174655 297654742 /nfs/dbraw/zinc/65/47/42/297654742.db2.gz JAOXJDALUZVXST-WDEREUQCSA-N -1 0 318.329 0.734 50 0 DCAARM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)S(C)(=O)=O ZINC000224680766 298110981 /nfs/dbraw/zinc/11/09/81/298110981.db2.gz AJQGRDHTFJBFFY-RCWTZXSCSA-N -1 0 303.380 0.664 50 0 DCAARM Cc1cnc(C)nc1N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000091586607 302339374 /nfs/dbraw/zinc/33/93/74/302339374.db2.gz HIJSBSSNWMYZDQ-NSHDSACASA-N -1 0 304.350 0.653 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)CCO1 ZINC000238130873 526331601 /nfs/dbraw/zinc/33/16/01/526331601.db2.gz DLTPUYDVRZRAIQ-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM CCOc1ccccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299741184 528747704 /nfs/dbraw/zinc/74/77/04/528747704.db2.gz DLMDDGBSUYCFIP-LLVKDONJSA-N -1 0 309.318 0.776 50 0 DCAARM CC(C)(C)S(=O)(=O)CC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000263242671 545986664 /nfs/dbraw/zinc/98/66/64/545986664.db2.gz GQEAWZOIPQTQIR-UHFFFAOYSA-N -1 0 305.396 0.913 50 0 DCAARM C[C@@](O)(CNc1ccccc1S(=O)(=O)C(F)F)C(=O)[O-] ZINC000263539838 545986580 /nfs/dbraw/zinc/98/65/80/545986580.db2.gz BWGLPFGACKNYED-LLVKDONJSA-N -1 0 309.290 0.930 50 0 DCAARM CC(C)NS(=O)(=O)c1cccnc1N(C)C[C@@H](C)C(=O)[O-] ZINC000263559177 545986616 /nfs/dbraw/zinc/98/66/16/545986616.db2.gz QHCCITGIGYIFRK-SNVBAGLBSA-N -1 0 315.395 0.925 50 0 DCAARM Cc1cc(C(=O)NC[C@@H]2COCCO2)cc(C)c1OCC(=O)[O-] ZINC000263480925 545986652 /nfs/dbraw/zinc/98/66/52/545986652.db2.gz APDKDJHLPLUXRN-CYBMUJFWSA-N -1 0 323.345 0.912 50 0 DCAARM CN1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000067842433 664605217 /nfs/dbraw/zinc/60/52/17/664605217.db2.gz XRAKXSCMWBMZJI-CYBMUJFWSA-N -1 0 315.333 0.313 50 0 DCAARM CCn1cc(S(=O)(=O)[N-]c2cnc(C(N)=O)s2)nc1C ZINC000952994463 685603350 /nfs/dbraw/zinc/60/33/50/685603350.db2.gz PNGBFJAKMFNPDG-UHFFFAOYSA-N -1 0 315.380 0.568 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](O)C2)s1 ZINC001704310127 1179969901 /nfs/dbraw/zinc/96/99/01/1179969901.db2.gz OZWMKQYRGYMGOB-DTWKUNHWSA-N -1 0 305.377 0.513 50 0 DCAARM CCCCOc1ncccc1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000585122254 766287363 /nfs/dbraw/zinc/28/73/63/766287363.db2.gz TZHCLQTUUJTLTP-UHFFFAOYSA-N -1 0 321.337 0.580 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000072134507 191046199 /nfs/dbraw/zinc/04/61/99/191046199.db2.gz VPPXSNYZVCDGTD-CYBMUJFWSA-N -1 0 316.317 0.583 50 0 DCAARM Cc1ccc2nc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(F)n2c1 ZINC000072419681 191157042 /nfs/dbraw/zinc/15/70/42/191157042.db2.gz MEUIIRGQHJDTNA-VIFPVBQESA-N -1 0 307.281 0.707 50 0 DCAARM Cc1ccccc1OCC(=O)N1CCN(C(=O)CC(=O)[O-])CC1 ZINC000002456330 180925387 /nfs/dbraw/zinc/92/53/87/180925387.db2.gz GAEKZAUWJOOLKG-UHFFFAOYSA-N -1 0 320.345 0.519 50 0 DCAARM O=C([O-])CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003894305 181053575 /nfs/dbraw/zinc/05/35/75/181053575.db2.gz DGXXDRKDKYCRLS-UHFFFAOYSA-N -1 0 301.320 0.601 50 0 DCAARM COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000004502202 181116404 /nfs/dbraw/zinc/11/64/04/181116404.db2.gz ZBXZZODSQINRIV-DIECRNLCSA-N -1 0 304.346 0.984 50 0 DCAARM C[C@@H](CNC(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-] ZINC000262543094 295967888 /nfs/dbraw/zinc/96/78/88/295967888.db2.gz RYKJAGMNNUGBTJ-QMMMGPOBSA-N -1 0 309.297 0.806 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000237526735 202272522 /nfs/dbraw/zinc/27/25/22/202272522.db2.gz YKEMDUFCMRANCV-QPUJVOFHSA-N -1 0 322.283 0.720 50 0 DCAARM Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000237812129 202361493 /nfs/dbraw/zinc/36/14/93/202361493.db2.gz UTGXBQLUCXDQLV-GFCCVEGCSA-N -1 0 315.333 0.724 50 0 DCAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000037863542 182933469 /nfs/dbraw/zinc/93/34/69/182933469.db2.gz HMVZVXLNTAOIEO-LBPRGKRZSA-N -1 0 311.359 0.778 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2ccc(F)cc21 ZINC000040286580 183051400 /nfs/dbraw/zinc/05/14/00/183051400.db2.gz MSXRBOCLMCQFIX-UHFFFAOYSA-N -1 0 307.281 0.097 50 0 DCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CSCC1=O ZINC000268888255 304206370 /nfs/dbraw/zinc/20/63/70/304206370.db2.gz DDNBQYJIICROLI-GFCCVEGCSA-N -1 0 320.370 0.557 50 0 DCAARM COc1ccc([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1OC ZINC000057842293 184056533 /nfs/dbraw/zinc/05/65/33/184056533.db2.gz LYYNZVKFLMNDBV-AWEZNQCLSA-N -1 0 308.290 0.555 50 0 DCAARM COc1cc(C(=O)N2CCn3nc(C(=O)[O-])cc3C2)ccn1 ZINC000065490774 184353659 /nfs/dbraw/zinc/35/36/59/184353659.db2.gz ALKAXMJUXXRNMI-UHFFFAOYSA-N -1 0 302.290 0.641 50 0 DCAARM CCn1nnc(-c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)n1 ZINC000065397187 184335950 /nfs/dbraw/zinc/33/59/50/184335950.db2.gz YMIBWZCJXFWQTR-SNVBAGLBSA-N -1 0 301.306 0.798 50 0 DCAARM O=C([O-])CN(C(=O)c1ccc2n[nH]nc2c1)C1CCOCC1 ZINC000362682819 257236187 /nfs/dbraw/zinc/23/61/87/257236187.db2.gz GXBBBJZGQCKALC-UHFFFAOYSA-N -1 0 304.306 0.664 50 0 DCAARM COc1nccnc1N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067774753 134837166 /nfs/dbraw/zinc/83/71/66/134837166.db2.gz RCWRIUVBYDEJJK-JTQLQIEISA-N -1 0 318.337 0.692 50 0 DCAARM C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000008316062 395684369 /nfs/dbraw/zinc/68/43/69/395684369.db2.gz VSEQOHQIPUQVGA-MRVPVSSYSA-N -1 0 300.336 0.140 50 0 DCAARM CCO[N-]C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000008768048 395684867 /nfs/dbraw/zinc/68/48/67/395684867.db2.gz BSUUFJCZGALZQQ-UHFFFAOYSA-N -1 0 305.334 0.611 50 0 DCAARM C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)NCC(=O)[O-] ZINC000011867342 395686947 /nfs/dbraw/zinc/68/69/47/395686947.db2.gz VGVQPTARJMMAPZ-SSDOTTSWSA-N -1 0 307.331 0.605 50 0 DCAARM CCOc1ccccc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012979446 395688340 /nfs/dbraw/zinc/68/83/40/395688340.db2.gz AMHHLDUPRWVQDJ-UHFFFAOYSA-N -1 0 303.318 0.964 50 0 DCAARM CC(NCCCO)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020290145 395691144 /nfs/dbraw/zinc/69/11/44/395691144.db2.gz KDSZHZLKZDWOCE-ZRDIBKRKSA-N -1 0 303.318 0.515 50 0 DCAARM C[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000002127205 395681342 /nfs/dbraw/zinc/68/13/42/395681342.db2.gz QGWSYLMGCZTPBR-VIFPVBQESA-N -1 0 319.317 0.059 50 0 biogenic DCAARM COc1cc(NC(=O)CSCC(=O)[O-])cc(-n2cnnn2)c1 ZINC000002760523 395681834 /nfs/dbraw/zinc/68/18/34/395681834.db2.gz OLVZGZCSVOBMJB-UHFFFAOYSA-N -1 0 323.334 0.427 50 0 DCAARM CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccco2)s1 ZINC000036182579 395722544 /nfs/dbraw/zinc/72/25/44/395722544.db2.gz DJEICGRJCBRRPO-UHFFFAOYSA-N -1 0 302.337 0.568 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCN(C)CC2)C1 ZINC000091830604 395727867 /nfs/dbraw/zinc/72/78/67/395727867.db2.gz UKGWNYFOEIUJGB-OAHLLOKOSA-N -1 0 313.398 0.557 50 0 DCAARM C[C@H]1Oc2ccccc2N(CC(=O)N(C)CCC(=O)[O-])C1=O ZINC000095970535 395741088 /nfs/dbraw/zinc/74/10/88/395741088.db2.gz NZHQRQNKGJELAC-SNVBAGLBSA-N -1 0 306.318 0.734 50 0 DCAARM Cc1[n-]n(-c2nc(-c3ccccc3)cc(=O)[nH]2)c(=O)c1CCO ZINC000100559583 395763192 /nfs/dbraw/zinc/76/31/92/395763192.db2.gz OJRDJBUJACVYFQ-UHFFFAOYSA-N -1 0 312.329 0.759 50 0 DCAARM Cn1c([O-])c(C2=NN[C@H](c3ccc(F)cc3)C2)c(=O)n(C)c1=O ZINC000101761732 395767031 /nfs/dbraw/zinc/76/70/31/395767031.db2.gz LENXEYPYISCFLG-JTQLQIEISA-N -1 0 318.308 0.367 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccccc1 ZINC000253430798 396028464 /nfs/dbraw/zinc/02/84/64/396028464.db2.gz FXRQIEWVIHANIY-CYBMUJFWSA-N -1 0 312.391 0.748 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H]([C@@H]2O)N(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]13 ZINC000256048156 396033668 /nfs/dbraw/zinc/03/36/68/396033668.db2.gz RCDQDAVVBBQHOY-MJYBNVITSA-N -1 0 318.285 0.638 50 0 DCAARM C[C@@H](C(=O)N(C)CC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000153167802 396021312 /nfs/dbraw/zinc/02/13/12/396021312.db2.gz PZMFWTTVHWZHDD-LBPRGKRZSA-N -1 0 323.368 0.879 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1 ZINC000262346533 396127716 /nfs/dbraw/zinc/12/77/16/396127716.db2.gz AQFYLBDGJQDZKZ-ZDUSSCGKSA-N -1 0 318.329 0.739 50 0 DCAARM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000069525771 396082221 /nfs/dbraw/zinc/08/22/21/396082221.db2.gz KGLQIRPEROWCPG-VIFPVBQESA-N -1 0 315.347 0.703 50 0 DCAARM Cc1ccccc1C(=O)NCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263232094 396207443 /nfs/dbraw/zinc/20/74/43/396207443.db2.gz QQIXGFSASNEDML-DGCLKSJQSA-N -1 0 304.346 0.904 50 0 DCAARM Cc1n[nH]c(=O)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000262497979 396147538 /nfs/dbraw/zinc/14/75/38/396147538.db2.gz LQXHHUFZQSOKCC-LBPRGKRZSA-N -1 0 315.329 0.812 50 0 DCAARM C[C@H](CN(C)C(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262959990 396194501 /nfs/dbraw/zinc/19/45/01/396194501.db2.gz KBBAJNMNMXLEMG-ZCFIWIBFSA-N -1 0 306.365 0.188 50 0 DCAARM CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269128472 396388149 /nfs/dbraw/zinc/38/81/49/396388149.db2.gz AHNSHUDMDPYKKO-SSDOTTSWSA-N -1 0 318.376 0.203 50 0 DCAARM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1occc1C ZINC000390835265 397302894 /nfs/dbraw/zinc/30/28/94/397302894.db2.gz IFUXOFCXTGLFFK-IUCAKERBSA-N -1 0 303.336 0.845 50 0 DCAARM O=C([O-])CNS(=O)(=O)c1cccc(NC(=O)C2CC=CC2)c1 ZINC000621542355 397395926 /nfs/dbraw/zinc/39/59/26/397395926.db2.gz BNKJVUROSSUALB-UHFFFAOYSA-N -1 0 324.358 0.954 50 0 DCAARM CC[C@H](C)[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000261839228 158743819 /nfs/dbraw/zinc/74/38/19/158743819.db2.gz WBGFGGDKHQUKBJ-RCOVLWMOSA-N -1 0 304.324 0.156 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000261873403 158748943 /nfs/dbraw/zinc/74/89/43/158748943.db2.gz XPHFZAVVGXHZKD-BXUZGUMPSA-N -1 0 324.402 0.942 50 0 DCAARM CCO[C@@H]1C[C@](NC(=O)[C@H]2COCCO2)(C(=O)[O-])C1(C)C ZINC000262765334 158839654 /nfs/dbraw/zinc/83/96/54/158839654.db2.gz GILVDIDZINPVLH-RULNRJAQSA-N -1 0 301.339 0.176 50 0 DCAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cnccn1)C2=O ZINC000008342651 415144737 /nfs/dbraw/zinc/14/47/37/415144737.db2.gz LOHUBJTWOCPKOT-UHFFFAOYSA-N -1 0 303.322 0.622 50 0 DCAARM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C(CC)CC ZINC000069815711 415401254 /nfs/dbraw/zinc/40/12/54/415401254.db2.gz MJVJCOUWXIXTKW-NSHDSACASA-N -1 0 320.411 0.811 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1nccn1C ZINC000067833747 415385094 /nfs/dbraw/zinc/38/50/94/415385094.db2.gz NQRWVJQNKVHHGY-ZDUSSCGKSA-N -1 0 305.338 0.196 50 0 DCAARM COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1ncncc1C(=O)[O-])C2 ZINC000095372525 415553226 /nfs/dbraw/zinc/55/32/26/415553226.db2.gz RSVJXKNEYJXZEQ-WDEREUQCSA-N -1 0 320.349 0.248 50 0 DCAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(N)=O)nnn32)cc1 ZINC000101353793 415593281 /nfs/dbraw/zinc/59/32/81/415593281.db2.gz PFNWJVKOSNUGNQ-SNVBAGLBSA-N -1 0 315.289 0.369 50 0 DCAARM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CS2 ZINC000262902382 416337110 /nfs/dbraw/zinc/33/71/10/416337110.db2.gz BPRGBEVOBWPNBE-AMIZOPFISA-N -1 0 324.362 0.360 50 0 DCAARM Cc1ccc2ncccc2c1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000215317837 416326973 /nfs/dbraw/zinc/32/69/73/416326973.db2.gz RHLZSWWIWFYRBL-UHFFFAOYSA-N -1 0 324.340 0.860 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2N(C)C1 ZINC000239882339 416330080 /nfs/dbraw/zinc/33/00/80/416330080.db2.gz DBFICBGSJFZTRB-LBPRGKRZSA-N -1 0 312.391 0.388 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)c2cccc3c2OCCCO3)CC1 ZINC000652060935 417842289 /nfs/dbraw/zinc/84/22/89/417842289.db2.gz MDTRKDHQXKNAPU-UHFFFAOYSA-N -1 0 321.329 0.900 50 0 DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)CCc1ccccc1F ZINC000656515111 418359434 /nfs/dbraw/zinc/35/94/34/418359434.db2.gz KSGKBFFHYYTOIT-GFCCVEGCSA-N -1 0 317.338 0.483 50 0 DCAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000262585494 292963181 /nfs/dbraw/zinc/96/31/81/292963181.db2.gz ZRAQUUBOZVLSKU-CZUORRHYSA-N -1 0 305.330 0.940 50 0 DCAARM COC[C@](C)(CC(=O)[O-])NC(=O)CCCNC(=O)C(C)(C)C ZINC000095989825 293241185 /nfs/dbraw/zinc/24/11/85/293241185.db2.gz XZCNABAWIPRMDV-HNNXBMFYSA-N -1 0 316.398 0.925 50 0 DCAARM C[C@H](C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000252708548 298110667 /nfs/dbraw/zinc/11/06/67/298110667.db2.gz AJQGRDHTFJBFFY-YTWAJWBKSA-N -1 0 303.380 0.664 50 0 DCAARM Cc1nccc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095362209 302709228 /nfs/dbraw/zinc/70/92/28/302709228.db2.gz JXXPLRVZZWGWQA-NSHDSACASA-N -1 0 304.350 0.687 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000299749207 534526449 /nfs/dbraw/zinc/52/64/49/534526449.db2.gz JLEGZACWLKLVCG-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000299742005 534526569 /nfs/dbraw/zinc/52/65/69/534526569.db2.gz APSZDOTWTNGGMZ-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM Cc1ccc(O[C@H](C)C(=O)NNC(=O)/C=C\C(=O)[O-])cc1C ZINC000096436965 545729241 /nfs/dbraw/zinc/72/92/41/545729241.db2.gz BPRFHMNEAPIQQT-JMEBYUIHSA-N -1 0 306.318 0.859 50 0 DCAARM CN1CCO[C@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C[C@H]21 ZINC000888096211 661173209 /nfs/dbraw/zinc/17/32/09/661173209.db2.gz NXMCWACJIACVJR-CABCVRRESA-N -1 0 318.373 0.859 50 0 DCAARM NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000863981677 667204753 /nfs/dbraw/zinc/20/47/53/667204753.db2.gz HQXRKMZGKSDWDM-LLVKDONJSA-N -1 0 312.347 0.413 50 0 DCAARM O=C([O-])c1nccnc1N1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC000952967727 685599317 /nfs/dbraw/zinc/59/93/17/685599317.db2.gz KXGOCDIPCDAEKA-JTQLQIEISA-N -1 0 304.350 0.917 50 0 DCAARM CCn1nc(C(C)C)cc1C(=O)N1CCN(C)[C@H](C(=O)[O-])C1 ZINC000067676164 685069851 /nfs/dbraw/zinc/06/98/51/685069851.db2.gz PNSHXWUOQHEYMW-ZDUSSCGKSA-N -1 0 308.382 0.867 50 0 DCAARM O=C([O-])COc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](O)C1 ZINC001704316323 1179971566 /nfs/dbraw/zinc/97/15/66/1179971566.db2.gz YBGXGHXLGJDRHA-NWDGAFQWSA-N -1 0 309.318 0.417 50 0 DCAARM COc1cc2c(cc1CN1CCNC(=O)[C@@H]1CC(=O)[O-])CCC2 ZINC001704353659 1179983541 /nfs/dbraw/zinc/98/35/41/1179983541.db2.gz QWULSJUSHPNUGC-AWEZNQCLSA-N -1 0 318.373 0.959 50 0 DCAARM CC(C)O[N-]C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC000952848074 768911069 /nfs/dbraw/zinc/91/10/69/768911069.db2.gz BDULECDHOLPLMI-TZMCWYRMSA-N -1 0 324.352 0.786 50 0 DCAARM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc3c2NCC3)cnn1C ZINC000952883613 768951937 /nfs/dbraw/zinc/95/19/37/768951937.db2.gz OFQAYWMLVCPMDW-UHFFFAOYSA-N -1 0 320.374 0.815 50 0 DCAARM CN1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000095399169 185353877 /nfs/dbraw/zinc/35/38/77/185353877.db2.gz DTLOYTNYDUVIIR-OLZOCXBDSA-N -1 0 304.346 0.667 50 0 DCAARM CCCCS(=O)(=O)N1CCC(C(=O)NCCC(=O)[O-])CC1 ZINC000095424230 185361390 /nfs/dbraw/zinc/36/13/90/185361390.db2.gz DSMLJYAEEYKXCG-UHFFFAOYSA-N -1 0 320.411 0.419 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299748817 530033289 /nfs/dbraw/zinc/03/32/89/530033289.db2.gz IHGCXBVHPRELIM-WDEREUQCSA-N -1 0 324.358 0.205 50 0 DCAARM Nc1n[nH]c(SCC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000080338728 192150671 /nfs/dbraw/zinc/15/06/71/192150671.db2.gz BHFCPELMQFVRTE-UHFFFAOYSA-N -1 0 307.335 0.494 50 0 DCAARM CCCc1nc2c(cnn2C)c(N[C@H](C)c2n[nH]c(=O)[n-]2)n1 ZINC000072135311 191046477 /nfs/dbraw/zinc/04/64/77/191046477.db2.gz KNLIXRGYOXGGMC-SSDOTTSWSA-N -1 0 302.342 0.900 50 0 DCAARM O=C([O-])C1(n2cccn2)CCN(C(=O)N2CCOCC2)CC1 ZINC000072430019 304034903 /nfs/dbraw/zinc/03/49/03/304034903.db2.gz IFXJBWFMUWAXPF-UHFFFAOYSA-N -1 0 308.338 0.211 50 0 DCAARM O=C(CSc1nncc(=O)[n-]1)NCc1ccc2c(c1)OCO2 ZINC000004248967 181087962 /nfs/dbraw/zinc/08/79/62/181087962.db2.gz KXHGWCNLAGFLFF-UHFFFAOYSA-N -1 0 320.330 0.714 50 0 DCAARM COC(=O)C[C@H](C[P@@](=O)([O-])CN1CCCC1=O)C(=O)OC ZINC000004577695 181126773 /nfs/dbraw/zinc/12/67/73/181126773.db2.gz ISOPTCCWWMIMMZ-SECBINFHSA-N -1 0 321.266 0.189 50 0 DCAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CN1CSCC1=O ZINC000299742289 304052307 /nfs/dbraw/zinc/05/23/07/304052307.db2.gz AYYDSDUWSWTPGL-JTQLQIEISA-N -1 0 316.379 0.002 50 0 DCAARM O=C([O-])CN1C(=O)COc2ccc(C(=O)N3CCCC3)cc21 ZINC000032918680 304067013 /nfs/dbraw/zinc/06/70/13/304067013.db2.gz YPLPSVIVSXZIOW-UHFFFAOYSA-N -1 0 304.302 0.733 50 0 DCAARM CCCS(=O)(=O)CC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000095424719 283414396 /nfs/dbraw/zinc/41/43/96/283414396.db2.gz WXYDLIBVCLMFHD-SECBINFHSA-N -1 0 309.409 0.230 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2occc2Br)CCO1 ZINC000178280612 237221298 /nfs/dbraw/zinc/22/12/98/237221298.db2.gz GFYBKKZXWCACNV-ZETCQYMHSA-N -1 0 304.096 0.968 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000237647511 202317793 /nfs/dbraw/zinc/31/77/93/202317793.db2.gz LDXOBHHSSXOLKU-MRXNPFEDSA-N -1 0 315.329 0.720 50 0 DCAARM Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H]3C(=O)[O-])cnc12 ZINC000237744541 202343544 /nfs/dbraw/zinc/34/35/44/202343544.db2.gz WAFHOWAPSSYNJW-LBPRGKRZSA-N -1 0 315.329 0.781 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC000299746965 304091236 /nfs/dbraw/zinc/09/12/36/304091236.db2.gz BPMLHLOXFUCNHM-SNVBAGLBSA-N -1 0 320.349 0.697 50 0 DCAARM C[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)[O-] ZINC000005912608 296074076 /nfs/dbraw/zinc/07/40/76/296074076.db2.gz JAARVQDZUJVXQE-MXWKQRLJSA-N -1 0 305.334 0.450 50 0 DCAARM CS(=O)(=O)CCN1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091320831 193040866 /nfs/dbraw/zinc/04/08/66/193040866.db2.gz GLSLAGCAIYHFRA-QWHCGFSZSA-N -1 0 315.366 0.970 50 0 DCAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccon2)ccc1OC ZINC000016624903 182053955 /nfs/dbraw/zinc/05/39/55/182053955.db2.gz WMQSQCGOSVAWIO-UHFFFAOYSA-N -1 0 311.319 0.844 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000268989451 304199354 /nfs/dbraw/zinc/19/93/54/304199354.db2.gz RPLIVBOKEQVUDR-JRBALWBOSA-N -1 0 305.286 0.741 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CSc2ccccc2O1 ZINC000299753742 304199993 /nfs/dbraw/zinc/19/99/93/304199993.db2.gz ZEIQJTFNTKLCDR-MWLCHTKSSA-N -1 0 309.343 0.852 50 0 DCAARM Cc1cc(S(=O)(=O)NCc2cnn(C)c2)sc1C(=O)[O-] ZINC000041159721 183179273 /nfs/dbraw/zinc/17/92/73/183179273.db2.gz SMQDINNCJBAYFZ-UHFFFAOYSA-N -1 0 315.376 0.967 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000049864793 183761061 /nfs/dbraw/zinc/76/10/61/183761061.db2.gz BILNBYJJAPDTSR-HMDXOVGESA-N -1 0 313.741 0.707 50 0 DCAARM CC[C@@]1(c2ccc(OC)c(OC)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842208 184056623 /nfs/dbraw/zinc/05/66/23/184056623.db2.gz RBDYSGSIXDYPMX-HNNXBMFYSA-N -1 0 322.317 0.946 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 ZINC000340194302 253214468 /nfs/dbraw/zinc/21/44/68/253214468.db2.gz OEYBXEYUGYIIJY-LLVKDONJSA-N -1 0 315.329 0.720 50 0 DCAARM O=C([O-])c1ccc(CNC(=O)CN2CCCS2(=O)=O)cc1 ZINC000269214537 256624924 /nfs/dbraw/zinc/62/49/24/256624924.db2.gz XOZGBBFZAAVTEY-UHFFFAOYSA-N -1 0 312.347 0.037 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CCO1 ZINC000362572626 257236144 /nfs/dbraw/zinc/23/61/44/257236144.db2.gz KLDCJROPEMZKLV-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])C1(NC(=O)Cc2nc3ccccc3[nH]2)CCOCC1 ZINC000426552223 257246778 /nfs/dbraw/zinc/24/67/78/257246778.db2.gz CFKCMDAFZZNSDI-UHFFFAOYSA-N -1 0 303.318 0.855 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000262065309 257257555 /nfs/dbraw/zinc/25/75/55/257257555.db2.gz AWURVUJDKKOPLR-GFCCVEGCSA-N -1 0 303.318 0.905 50 0 DCAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCC(N)=O ZINC000000073004 395679631 /nfs/dbraw/zinc/67/96/31/395679631.db2.gz PCWJIFJZFUOQSU-WEVVVXLNSA-N -1 0 305.290 0.130 50 0 DCAARM CCCn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000000079644 395679792 /nfs/dbraw/zinc/67/97/92/395679792.db2.gz KCCZRXLROKOWDU-UHFFFAOYSA-N -1 0 312.351 0.020 50 0 DCAARM COCCCNC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002155376 395681481 /nfs/dbraw/zinc/68/14/81/395681481.db2.gz IRYDIOUNPYVNPX-UHFFFAOYSA-N -1 0 317.436 0.689 50 0 DCAARM CN1CCCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000006848463 395683041 /nfs/dbraw/zinc/68/30/41/395683041.db2.gz BVGCYZPPOSTWFY-UHFFFAOYSA-N -1 0 314.363 0.417 50 0 DCAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000032101606 395709599 /nfs/dbraw/zinc/70/95/99/395709599.db2.gz TXYOGAXRJANJRJ-UHFFFAOYSA-N -1 0 311.261 0.403 50 0 DCAARM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000036969695 395725461 /nfs/dbraw/zinc/72/54/61/395725461.db2.gz NBALOJFHDOROFD-RXMQYKEDSA-N -1 0 305.308 0.434 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)OCO2 ZINC000219534881 395845430 /nfs/dbraw/zinc/84/54/30/395845430.db2.gz QGSDWKYYVKTBBR-MNOVXSKESA-N -1 0 323.301 0.404 50 0 DCAARM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000051658896 395852948 /nfs/dbraw/zinc/85/29/48/395852948.db2.gz SDBWGGUUTJPGQM-JTQLQIEISA-N -1 0 316.354 0.605 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CO)cc1 ZINC000223918683 395857494 /nfs/dbraw/zinc/85/74/94/395857494.db2.gz KRBMVNDDRGULBZ-CHWSQXEVSA-N -1 0 309.318 0.167 50 0 DCAARM CC(C)(CC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000236794710 395898453 /nfs/dbraw/zinc/89/84/53/395898453.db2.gz HCIJTVUNVNKXKW-ZETCQYMHSA-N -1 0 310.272 0.767 50 0 DCAARM CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nn2c([n-]1)nc(C)cc2=O ZINC000252549658 396023015 /nfs/dbraw/zinc/02/30/15/396023015.db2.gz ROJOMCWCWQPYEJ-MWLCHTKSSA-N -1 0 321.381 0.594 50 0 DCAARM O=C([O-])CSc1nnc(Cc2nn[nH]n2)n1-c1ccccc1 ZINC000067965877 396040785 /nfs/dbraw/zinc/04/07/85/396040785.db2.gz FLNMTFOZRJOIIV-UHFFFAOYSA-N -1 0 317.334 0.548 50 0 DCAARM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000261715434 396059504 /nfs/dbraw/zinc/05/95/04/396059504.db2.gz DTJXAGQKVYYJFH-UHFFFAOYSA-N -1 0 321.376 0.104 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCO1 ZINC000261737715 396061377 /nfs/dbraw/zinc/06/13/77/396061377.db2.gz NPHSIMODDVVRPF-GFCCVEGCSA-N -1 0 316.317 0.583 50 0 DCAARM Cc1nn(C)c(=O)c(C(=O)NCc2nc(C(=O)[O-])cs2)c1C ZINC000262324959 396124809 /nfs/dbraw/zinc/12/48/09/396124809.db2.gz RNRSTHZFWSTSMA-UHFFFAOYSA-N -1 0 322.346 0.482 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000262539564 396152375 /nfs/dbraw/zinc/15/23/75/396152375.db2.gz KSTSXIQLTFSNFD-QMMMGPOBSA-N -1 0 316.335 0.267 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CCO1 ZINC000262855902 396187800 /nfs/dbraw/zinc/18/78/00/396187800.db2.gz HKHSRGOVGLGOCB-GFCCVEGCSA-N -1 0 318.285 0.973 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000262967799 396195586 /nfs/dbraw/zinc/19/55/86/396195586.db2.gz LCKAVYPMSURXDJ-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)CCO1 ZINC000262992987 396196459 /nfs/dbraw/zinc/19/64/59/396196459.db2.gz OQOAIFNOMXIEOL-SNVBAGLBSA-N -1 0 321.289 0.574 50 0 DCAARM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1-n1cncn1 ZINC000263003913 396197134 /nfs/dbraw/zinc/19/71/34/396197134.db2.gz QDVOTXMYPYGCKF-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1 ZINC000263015049 396197993 /nfs/dbraw/zinc/19/79/93/396197993.db2.gz RTAKSQRFGCOOBQ-CYBMUJFWSA-N -1 0 318.329 0.739 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000263061693 396199851 /nfs/dbraw/zinc/19/98/51/396199851.db2.gz YHQCXZNLITWIGY-JQWIXIFHSA-N -1 0 304.302 0.424 50 0 DCAARM CN(CCC(=O)[O-])C(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000269092016 396385053 /nfs/dbraw/zinc/38/50/53/396385053.db2.gz UXUNTVOOFQBKSZ-UHFFFAOYSA-N -1 0 311.338 0.174 50 0 DCAARM COCCn1cc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cn1 ZINC000626760075 397234152 /nfs/dbraw/zinc/23/41/52/397234152.db2.gz DBWJQKJCPSJPOV-AAEUAGOBSA-N -1 0 324.381 0.782 50 0 DCAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000262471130 158816632 /nfs/dbraw/zinc/81/66/32/158816632.db2.gz ZYGHWDADYFTEOF-KBPBESRZSA-N -1 0 305.330 0.919 50 0 DCAARM CCO[C@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262494876 158818458 /nfs/dbraw/zinc/81/84/58/158818458.db2.gz GVZRKDAQXXQHKZ-NEPJUHHUSA-N -1 0 312.366 0.193 50 0 DCAARM Cn1cc(C(=O)[N-]N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cn1 ZINC000025875744 415164319 /nfs/dbraw/zinc/16/43/19/415164319.db2.gz JOKSLXINBVCCPX-HNNXBMFYSA-N -1 0 313.317 0.532 50 0 DCAARM Cc1ncsc1CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000095382538 415556853 /nfs/dbraw/zinc/55/68/53/415556853.db2.gz FFHQYLKCTVVCLH-JTQLQIEISA-N -1 0 308.363 0.919 50 0 DCAARM Cn1c([O-])c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101763640 415596798 /nfs/dbraw/zinc/59/67/98/415596798.db2.gz UJMTUXNSGMNWTB-VIFPVBQESA-N -1 0 320.736 0.871 50 0 DCAARM O=C([O-])COc1ccc(N2CCN(c3ccccn3)CC2)nn1 ZINC000299759153 416063968 /nfs/dbraw/zinc/06/39/68/416063968.db2.gz ABGNPGCCBFDCRU-UHFFFAOYSA-N -1 0 315.333 0.662 50 0 DCAARM CC(C)(C)c1noc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000331108684 416266564 /nfs/dbraw/zinc/26/65/64/416266564.db2.gz HKUNBDAEIJCADY-SECBINFHSA-N -1 0 311.338 0.612 50 0 DCAARM CCO[C@H](C)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000230067566 416328060 /nfs/dbraw/zinc/32/80/60/416328060.db2.gz IOXOCYGMTXMOFK-LEQIOUOKSA-N -1 0 316.379 0.043 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)CCO1 ZINC000238124130 416329784 /nfs/dbraw/zinc/32/97/84/416329784.db2.gz MTWPTUXQAOZWFM-CQSZACIVSA-N -1 0 315.329 0.727 50 0 DCAARM CN1Cc2ccccc2[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1=O ZINC000623232636 416774558 /nfs/dbraw/zinc/77/45/58/416774558.db2.gz SJHVDPUCMJXDJC-YNEHKIRRSA-N -1 0 318.329 0.448 50 0 DCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000653552766 418089468 /nfs/dbraw/zinc/08/94/68/418089468.db2.gz CVEUCIKSPBPJCY-NWDGAFQWSA-N -1 0 312.366 0.193 50 0 DCAARM CN(C)c1ccnc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000655596394 418279047 /nfs/dbraw/zinc/27/90/47/418279047.db2.gz FOUNLHOZSTZIDL-AWEZNQCLSA-N -1 0 314.345 0.968 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000299743891 229381080 /nfs/dbraw/zinc/38/10/80/229381080.db2.gz PXLVFDOCCCRBIC-SECBINFHSA-N -1 0 317.301 0.035 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000299743725 229382642 /nfs/dbraw/zinc/38/26/42/229382642.db2.gz LYSXDZQWDPLVAR-YPMHNXCESA-N -1 0 317.345 0.506 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000299745084 229384697 /nfs/dbraw/zinc/38/46/97/229384697.db2.gz WBGCXHAIWLMGHK-SNVBAGLBSA-N -1 0 301.302 0.330 50 0 DCAARM CC[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC000268942237 288024168 /nfs/dbraw/zinc/02/41/68/288024168.db2.gz SXCLPGXPSGRDEL-GVXVVHGQSA-N -1 0 322.365 0.309 50 0 DCAARM CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002210194 280294312 /nfs/dbraw/zinc/29/43/12/280294312.db2.gz NHKKIOMJLVGOAU-ZDUSSCGKSA-N -1 0 318.333 0.407 50 0 DCAARM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000162185166 295514857 /nfs/dbraw/zinc/51/48/57/295514857.db2.gz ILTWONWNPCQWMI-GHMZBOCLSA-N -1 0 318.395 0.124 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000299746556 300784591 /nfs/dbraw/zinc/78/45/91/300784591.db2.gz YDHRWNQVYXVWIW-HNNXBMFYSA-N -1 0 306.318 0.488 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000238080170 526322222 /nfs/dbraw/zinc/32/22/22/526322222.db2.gz FCBAQCJKXFCCHR-NSHDSACASA-N -1 0 301.306 0.599 50 0 DCAARM COc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000219270976 545940210 /nfs/dbraw/zinc/94/02/10/545940210.db2.gz ULJPMOPDDKQPKI-MNOVXSKESA-N -1 0 310.306 0.079 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 ZINC000262445785 545985866 /nfs/dbraw/zinc/98/58/66/545985866.db2.gz PCUOPFYVCMKHIB-ZDUSSCGKSA-N -1 0 305.330 0.866 50 0 DCAARM Cn1c(=O)c2cc(Br)ccc2n(CC(=O)[O-])c1=O ZINC000725261607 548749137 /nfs/dbraw/zinc/74/91/37/548749137.db2.gz IIBMIMRYAZKSBT-UHFFFAOYSA-N -1 0 313.107 0.547 50 0 DCAARM CN1CCO[C@@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000888096220 661173362 /nfs/dbraw/zinc/17/33/62/661173362.db2.gz NXMCWACJIACVJR-LSDHHAIUSA-N -1 0 318.373 0.859 50 0 DCAARM COc1ccc2c(c1)C[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])CO2 ZINC000262447718 662391643 /nfs/dbraw/zinc/39/16/43/662391643.db2.gz VMDARNKKRUDXMB-BONVTDFDSA-N -1 0 309.318 0.198 50 0 DCAARM COc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](O)C1 ZINC001704313208 1179969917 /nfs/dbraw/zinc/96/99/17/1179969917.db2.gz HCRPPCKJUQEPHE-VHSXEESVSA-N -1 0 315.347 0.151 50 0 DCAARM C/C(=C\C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)c1ccncc1 ZINC000584908281 766237964 /nfs/dbraw/zinc/23/79/64/766237964.db2.gz TWFQVBMMAISEAZ-OBIHZWKSSA-N -1 0 310.375 0.967 50 0 DCAARM CCn1c2ncc(C(=O)[O-])cc2nc1N1CCN(C)C(=O)[C@H]1C ZINC001529160004 1014509577 /nfs/dbraw/zinc/50/95/77/1014509577.db2.gz ZEHZPTIDJSPSGD-SECBINFHSA-N -1 0 317.349 0.816 50 0 DCAARM Cc1ncsc1CCN(C)C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC001506420124 1017266492 /nfs/dbraw/zinc/26/64/92/1017266492.db2.gz VEYYKYJOKCDNSA-UHFFFAOYSA-N -1 0 308.363 0.896 50 0 DCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)CCN1 ZINC000071715343 191011485 /nfs/dbraw/zinc/01/14/85/191011485.db2.gz GYADIMYFKKMFOU-ZDUSSCGKSA-N -1 0 320.370 0.887 50 0 DCAARM C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC000237453143 186291613 /nfs/dbraw/zinc/29/16/13/186291613.db2.gz PDFCIRQNAQSECB-HTQZYQBOSA-N -1 0 312.272 0.907 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2 ZINC000100061367 290928692 /nfs/dbraw/zinc/92/86/92/290928692.db2.gz IBSFJPURTCQVNL-GHMZBOCLSA-N -1 0 315.329 0.602 50 0 DCAARM CS(=O)(=O)N1CCC(C(=O)[O-])(n2cnc3ccccc32)CC1 ZINC000072419416 191157563 /nfs/dbraw/zinc/15/75/63/191157563.db2.gz IKFYYJCWXIDPKM-UHFFFAOYSA-N -1 0 323.374 0.872 50 0 DCAARM NC(=O)c1csc(N2CCC(C(=O)[O-])(n3cccn3)CC2)n1 ZINC000072473881 191177878 /nfs/dbraw/zinc/17/78/78/191177878.db2.gz PBGJQTSTGXLPAU-UHFFFAOYSA-N -1 0 321.362 0.519 50 0 DCAARM Cc1c(NC(=O)COCC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000267424 180742945 /nfs/dbraw/zinc/74/29/45/180742945.db2.gz FUQYZTMGDUSTBK-UHFFFAOYSA-N -1 0 319.317 0.524 50 0 DCAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1 ZINC000003249271 180996143 /nfs/dbraw/zinc/99/61/43/180996143.db2.gz OQCNYZAIDKEDIB-UHFFFAOYSA-N -1 0 314.363 0.532 50 0 DCAARM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000003426351 181018191 /nfs/dbraw/zinc/01/81/91/181018191.db2.gz AMMYKSFYQAISTF-NOZJJQNGSA-N -1 0 309.343 0.952 50 0 DCAARM CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000003886492 181052858 /nfs/dbraw/zinc/05/28/58/181052858.db2.gz MPTAGPDKOCKSRA-GFCCVEGCSA-N -1 0 315.347 0.845 50 0 DCAARM Cn1c(=O)c2c(SCC(=O)[O-])nc(C3CC3)nc2n(C)c1=O ZINC000004139091 181077932 /nfs/dbraw/zinc/07/79/32/181077932.db2.gz ZKXYCFJEMIUHQT-UHFFFAOYSA-N -1 0 322.346 0.081 50 0 DCAARM CCN1CCN(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000004262525 181089134 /nfs/dbraw/zinc/08/91/34/181089134.db2.gz JQEHQELQPPKXRR-LLVKDONJSA-N -1 0 319.317 0.213 50 0 DCAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)no1 ZINC000004783776 181151619 /nfs/dbraw/zinc/15/16/19/181151619.db2.gz KESHGUGZSWYJSI-UHFFFAOYSA-N -1 0 322.346 0.974 50 0 DCAARM Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)[O-] ZINC000004937907 181175643 /nfs/dbraw/zinc/17/56/43/181175643.db2.gz YXEBSXYGUFCDLG-UHFFFAOYSA-N -1 0 315.347 0.479 50 0 DCAARM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(CC(=O)[O-])CC1 ZINC000237686383 202328255 /nfs/dbraw/zinc/32/82/55/202328255.db2.gz KXMLKEHGOQUOGI-ZDUSSCGKSA-N -1 0 306.362 0.991 50 0 DCAARM Cc1nn(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)c1Cl ZINC000237864209 202373367 /nfs/dbraw/zinc/37/33/67/202373367.db2.gz YWQIDLKCYQDCDQ-VIFPVBQESA-N -1 0 301.730 0.465 50 0 DCAARM O=C([O-])CNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000006624491 181362451 /nfs/dbraw/zinc/36/24/51/181362451.db2.gz KOMGSELVNUOCFF-IINYFYTJSA-N -1 0 318.285 0.047 50 0 biogenic DCAARM CC(C)[C@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)[O-] ZINC000006681472 181369916 /nfs/dbraw/zinc/36/99/16/181369916.db2.gz PCJOCUWYEVCQGO-QMMMGPOBSA-N -1 0 306.365 0.235 50 0 DCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1cccnn1)CC2 ZINC000092001508 193139926 /nfs/dbraw/zinc/13/99/26/193139926.db2.gz IHTPGKFYSRZRRK-SNVBAGLBSA-N -1 0 318.333 0.014 50 0 DCAARM O=C([O-])[C@@H]1CN(c2ncccn2)CCN1C(=O)C1CCOCC1 ZINC000071753755 304133273 /nfs/dbraw/zinc/13/32/73/304133273.db2.gz BGGUMZJQJUUKJC-LBPRGKRZSA-N -1 0 320.349 0.005 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000268989603 304134352 /nfs/dbraw/zinc/13/43/52/304134352.db2.gz RWRVISJWLYTXSD-OHVSUOQFSA-N -1 0 303.314 0.947 50 0 DCAARM O=C([O-])CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000012881628 181806745 /nfs/dbraw/zinc/80/67/45/181806745.db2.gz GBRMVEBAELIJGG-UHFFFAOYSA-N -1 0 312.631 0.721 50 0 DCAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CN2CSCC2=O)C1 ZINC000043584219 183373421 /nfs/dbraw/zinc/37/34/21/183373421.db2.gz JNIOMMNWMXWBEM-JTQLQIEISA-N -1 0 300.380 0.623 50 0 DCAARM NC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000065593125 184370352 /nfs/dbraw/zinc/37/03/52/184370352.db2.gz YNKMJMHFLGCIMV-UHFFFAOYSA-N -1 0 316.289 0.447 50 0 DCAARM COc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000268991208 256625162 /nfs/dbraw/zinc/62/51/62/256625162.db2.gz SXRGFNYZMSPOAI-LBPRGKRZSA-N -1 0 323.345 0.948 50 0 DCAARM Cc1ccoc1C(=O)N1CCN(c2ncccn2)C[C@H]1C(=O)[O-] ZINC000071762555 257270512 /nfs/dbraw/zinc/27/05/12/257270512.db2.gz SIHPVEADOLKWAH-NSHDSACASA-N -1 0 316.317 0.794 50 0 DCAARM COc1cccc(CO[C@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268968897 533529157 /nfs/dbraw/zinc/52/91/57/533529157.db2.gz FIUUZPNOMUDCNN-RISCZKNCSA-N -1 0 323.345 0.912 50 0 DCAARM O=c1[n-]c(=O)c(SCc2nc3ccccc3c(=O)[nH]2)n[nH]1 ZINC000009668025 395685486 /nfs/dbraw/zinc/68/54/86/395685486.db2.gz QAASLXPUPPKLSP-UHFFFAOYSA-N -1 0 303.303 0.399 50 0 DCAARM Cn1c2nnc(-c3ccc(F)cc3)n2c2c1c(=O)nc([O-])n2C ZINC000010963184 395686309 /nfs/dbraw/zinc/68/63/09/395686309.db2.gz NXQRUWRJNYXQJM-UHFFFAOYSA-N -1 0 314.280 0.826 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1C(=O)[O-] ZINC000013269893 395688541 /nfs/dbraw/zinc/68/85/41/395688541.db2.gz CYWVRLFETFDZDJ-NSHDSACASA-N -1 0 312.347 0.332 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000001840491 395681246 /nfs/dbraw/zinc/68/12/46/395681246.db2.gz AJVUOQVEWCJCLV-UHFFFAOYSA-N -1 0 315.123 0.380 50 0 DCAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000002929128 395682054 /nfs/dbraw/zinc/68/20/54/395682054.db2.gz GHHKQGBWJHGJPB-GFCCVEGCSA-N -1 0 324.358 0.809 50 0 DCAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cnc(N)nc2)c1 ZINC000033074058 395716021 /nfs/dbraw/zinc/71/60/21/395716021.db2.gz IWJREOGMQRPCPX-UHFFFAOYSA-N -1 0 310.335 0.877 50 0 DCAARM COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000035686142 395721268 /nfs/dbraw/zinc/72/12/68/395721268.db2.gz UABKTQZGZKBZPC-SNVBAGLBSA-N -1 0 315.347 0.942 50 0 DCAARM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000040544354 395734070 /nfs/dbraw/zinc/73/40/70/395734070.db2.gz WCPGCQZZMFIQQY-ZETCQYMHSA-N -1 0 301.324 0.319 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100660506 395763559 /nfs/dbraw/zinc/76/35/59/395763559.db2.gz XAEHOUHENKOUJJ-RKDXNWHRSA-N -1 0 307.693 0.330 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3CC)c(=O)c1-2 ZINC000100998011 395763877 /nfs/dbraw/zinc/76/38/77/395763877.db2.gz LEYBITBXYNKQLF-RYUDHWBXSA-N -1 0 315.329 0.629 50 0 DCAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000111403380 395808083 /nfs/dbraw/zinc/80/80/83/395808083.db2.gz GMLXTBXWPIAMQU-GFCCVEGCSA-N -1 0 311.359 0.478 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)[O-] ZINC000049546476 395832620 /nfs/dbraw/zinc/83/26/20/395832620.db2.gz KCRRTSPBAVBYCI-HNNXBMFYSA-N -1 0 321.377 0.738 50 0 DCAARM O=C([O-])c1cccc(OCCNC(=O)CN2CCC[C@@H](O)C2)c1 ZINC000218888976 395843575 /nfs/dbraw/zinc/84/35/75/395843575.db2.gz BSNBXAYTDFBSLX-CYBMUJFWSA-N -1 0 322.361 0.337 50 0 DCAARM COc1cc(N[C@@H]2COCC[C@@H]2OCC(=O)[O-])nc(OC)n1 ZINC000219690677 395846379 /nfs/dbraw/zinc/84/63/79/395846379.db2.gz QQSDSICRJWOCPM-BDAKNGLRSA-N -1 0 313.310 0.164 50 0 DCAARM COc1cccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c1 ZINC000220403577 395848920 /nfs/dbraw/zinc/84/89/20/395848920.db2.gz OUNKQGXJJCSAKS-ZIAGYGMSSA-N -1 0 323.345 0.613 50 0 DCAARM CC(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000223611831 395855775 /nfs/dbraw/zinc/85/57/75/395855775.db2.gz DUJHJIQPRHPLCQ-NSHDSACASA-N -1 0 314.363 0.563 50 0 DCAARM CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000055182959 395912795 /nfs/dbraw/zinc/91/27/95/395912795.db2.gz GVGVROFQEJNTAA-MNOVXSKESA-N -1 0 323.397 0.389 50 0 DCAARM CCC(=O)c1ccc(OCC(=O)NCCCc2nnn[n-]2)cc1 ZINC000055386842 395918428 /nfs/dbraw/zinc/91/84/28/395918428.db2.gz MKTYDLCTHAHIAN-UHFFFAOYSA-N -1 0 317.349 0.920 50 0 DCAARM O=C(NCCN1CCOCC1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215078 395991535 /nfs/dbraw/zinc/99/15/35/395991535.db2.gz HVUPFXHWWGRFHP-UHFFFAOYSA-N -1 0 323.374 0.357 50 0 DCAARM Cn1cc([C@@H](c2sc3ncnn3c2[O-])N2CCOCC2)cn1 ZINC000252482571 396020002 /nfs/dbraw/zinc/02/00/02/396020002.db2.gz DJICWBKDINWIMJ-JTQLQIEISA-N -1 0 320.378 0.652 50 0 DCAARM O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649809 396097049 /nfs/dbraw/zinc/09/70/49/396097049.db2.gz UJRGOXICYCAGPI-LLVKDONJSA-N -1 0 302.352 0.970 50 0 DCAARM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000072287050 396130003 /nfs/dbraw/zinc/13/00/03/396130003.db2.gz MOCIDFLKCMMLDA-JTQLQIEISA-N -1 0 307.306 0.674 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000262528863 396151175 /nfs/dbraw/zinc/15/11/75/396151175.db2.gz SFNSSUDRTVLZDE-MRVPVSSYSA-N -1 0 320.330 0.526 50 0 DCAARM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000075584540 396181766 /nfs/dbraw/zinc/18/17/66/396181766.db2.gz ZSMGXAIFQUVPLR-AWEZNQCLSA-N -1 0 324.402 0.975 50 0 DCAARM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)[C@@H](O)Cc1ccccc1 ZINC000263457508 396217573 /nfs/dbraw/zinc/21/75/73/396217573.db2.gz UXINWCLFRDAUOT-HZMBPMFUSA-N -1 0 315.329 0.897 50 0 DCAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000263478896 396218281 /nfs/dbraw/zinc/21/82/81/396218281.db2.gz KFVOHAOEFCSZEV-UHFFFAOYSA-N -1 0 301.368 0.633 50 0 DCAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000268962644 396379107 /nfs/dbraw/zinc/37/91/07/396379107.db2.gz ATXXXDIANTWQOI-LVDDQXARSA-N -1 0 318.329 0.371 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CCO1 ZINC000560480875 396616999 /nfs/dbraw/zinc/61/69/99/396616999.db2.gz AGKRRMGHEAUSQJ-LLVKDONJSA-N -1 0 321.301 0.580 50 0 DCAARM CC(C)c1cc(C(=O)N[C@H](C)c2n[n-]c(=N)s2)nc(N)n1 ZINC000584891975 396633926 /nfs/dbraw/zinc/63/39/26/396633926.db2.gz KGQYKMVNQZAXNB-ZCFIWIBFSA-N -1 0 307.383 0.768 50 0 DCAARM Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1N1CCOCC1 ZINC000584898323 396635570 /nfs/dbraw/zinc/63/55/70/396635570.db2.gz PCYFLXQEDRVXJF-UHFFFAOYSA-N -1 0 317.349 0.585 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3cccnc3)c(=O)[nH]c21 ZINC000585152512 396642111 /nfs/dbraw/zinc/64/21/11/396642111.db2.gz WAJYDNSYBBBIAM-UITAMQMPSA-N -1 0 313.273 0.174 50 0 DCAARM Cc1cc(-c2noc(CNS(=O)(=O)c3cnn(C)c3)n2)no1 ZINC000585149380 396642116 /nfs/dbraw/zinc/64/21/16/396642116.db2.gz MXWKEUKPCZNZNA-UHFFFAOYSA-N -1 0 324.322 0.245 50 0 DCAARM CN1C(=O)C[C@H](C(=O)N2CCc3nc[nH]c(=O)c3C2)C1(C)C ZINC000299782315 396713658 /nfs/dbraw/zinc/71/36/58/396713658.db2.gz IWRBPBJNEWYUDS-SNVBAGLBSA-N -1 0 304.350 0.324 50 0 DCAARM O=C([O-])COc1cccc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000621537854 397395592 /nfs/dbraw/zinc/39/55/92/397395592.db2.gz UAYNVCNUPYFDCW-LBPRGKRZSA-N -1 0 306.318 0.549 50 0 DCAARM CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000492233012 397519824 /nfs/dbraw/zinc/51/98/24/397519824.db2.gz RSZVCCKKCNDYMO-OTDNITJGSA-N -1 0 303.318 0.388 50 0 DCAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cn2cncn2)cn1 ZINC000607834243 397705462 /nfs/dbraw/zinc/70/54/62/397705462.db2.gz GFZVSLGMWOQBIJ-LLVKDONJSA-N -1 0 301.306 0.676 50 0 DCAARM O=C([O-])CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000044919542 415235091 /nfs/dbraw/zinc/23/50/91/415235091.db2.gz VMJOUXAZHNUCOM-UHFFFAOYSA-N -1 0 315.329 0.891 50 0 DCAARM Cc1cc(C)n(C[C@@H](C)CNC(=O)Cn2[n-]c(=O)ccc2=O)n1 ZINC000048278011 415287066 /nfs/dbraw/zinc/28/70/66/415287066.db2.gz UVLFSKXOPJMCKJ-JTQLQIEISA-N -1 0 319.365 0.215 50 0 DCAARM O=C([O-])COCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000093228536 415544883 /nfs/dbraw/zinc/54/48/83/415544883.db2.gz KDIBLLBEQIURPH-UHFFFAOYSA-N -1 0 313.375 0.945 50 0 DCAARM CCN(Cc1cc(=O)n2[n-]c(C)cc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000102781873 415599456 /nfs/dbraw/zinc/59/94/56/415599456.db2.gz UREJDYNIAOBXSL-LBPRGKRZSA-N -1 0 324.406 0.340 50 0 DCAARM CNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000330488912 416210472 /nfs/dbraw/zinc/21/04/72/416210472.db2.gz LDVOWMINYVKNDP-SNVBAGLBSA-N -1 0 312.347 0.141 50 0 DCAARM C[N@@H+]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@@H]1C(=O)[O-] ZINC000244708297 416330780 /nfs/dbraw/zinc/33/07/80/416330780.db2.gz KRENWRXFINMARJ-CQSZACIVSA-N -1 0 313.361 0.739 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000580431642 417701146 /nfs/dbraw/zinc/70/11/46/417701146.db2.gz VLYKRAXPWRXRLD-CYBMUJFWSA-N -1 0 305.330 0.866 50 0 DCAARM C[C@@H](CNS(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000576986150 417653813 /nfs/dbraw/zinc/65/38/13/417653813.db2.gz PFBMFBNTPQEYEP-YFKPBYRVSA-N -1 0 315.273 0.438 50 0 DCAARM COC1CC(CCNS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000656715471 418371360 /nfs/dbraw/zinc/37/13/60/418371360.db2.gz AGKUIOWZISJIQL-UHFFFAOYSA-N -1 0 314.363 0.873 50 0 DCAARM O=C([O-])[C@H]1CCCN1CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000299740121 229375148 /nfs/dbraw/zinc/37/51/48/229375148.db2.gz WBOUHHQIXXNAJW-CHWSQXEVSA-N -1 0 304.346 0.655 50 0 DCAARM Cc1nc(-c2cccc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2)no1 ZINC000299748812 229392252 /nfs/dbraw/zinc/39/22/52/229392252.db2.gz IHDJCDSRCHPXRU-LBPRGKRZSA-N -1 0 317.301 0.971 50 0 DCAARM COCCN1C[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000170566012 262524370 /nfs/dbraw/zinc/52/43/70/262524370.db2.gz CBDYHMOSJFOYPO-CYBMUJFWSA-N -1 0 320.345 0.496 50 0 DCAARM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000003355866 278370442 /nfs/dbraw/zinc/37/04/42/278370442.db2.gz PCVPBERFBDRYNR-UHFFFAOYSA-N -1 0 314.363 0.578 50 0 DCAARM CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2C(=O)[O-] ZINC000258830915 278380391 /nfs/dbraw/zinc/38/03/91/278380391.db2.gz JCHRSFNTOLNLGP-MRVPVSSYSA-N -1 0 305.352 0.353 50 0 DCAARM CC(C)[C@H](O)C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072429657 280337206 /nfs/dbraw/zinc/33/72/06/280337206.db2.gz KDUGYWJKQAUAGD-AWEZNQCLSA-N -1 0 309.366 0.650 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000378169574 289819058 /nfs/dbraw/zinc/81/90/58/289819058.db2.gz SOOLUSUMEJUZGD-DGCLKSJQSA-N -1 0 318.329 0.449 50 0 DCAARM Cc1noc(-c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2)n1 ZINC000299753622 302834170 /nfs/dbraw/zinc/83/41/70/302834170.db2.gz YVHPCTCGPOFDPO-GFCCVEGCSA-N -1 0 317.301 0.971 50 0 DCAARM NC(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000299742238 303264465 /nfs/dbraw/zinc/26/44/65/303264465.db2.gz JCQYTEUCUMZFQE-VXGBXAGGSA-N -1 0 305.334 0.719 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000299752953 534539328 /nfs/dbraw/zinc/53/93/28/534539328.db2.gz WDYSGZSHECUQNH-GFCCVEGCSA-N -1 0 320.280 0.332 50 0 DCAARM CN(CCCC(=O)[O-])C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000237267478 522721946 /nfs/dbraw/zinc/72/19/46/522721946.db2.gz QNKVBFIBTGFHME-UHFFFAOYSA-N -1 0 303.322 0.528 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CCO1 ZINC000238130567 526331617 /nfs/dbraw/zinc/33/16/17/526331617.db2.gz LCKAVYPMSURXDJ-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM CC1(C)C(=O)NC(=O)N1CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000299739693 528864595 /nfs/dbraw/zinc/86/45/95/528864595.db2.gz ABEWBHXIVNFEJN-UHFFFAOYSA-N -1 0 311.338 0.076 50 0 DCAARM Cc1cn(C)c(CC(=O)NCCCN2CCOCC2)c1C(=O)[O-] ZINC000064980531 545658567 /nfs/dbraw/zinc/65/85/67/545658567.db2.gz WAYDORLIVBCAAN-UHFFFAOYSA-N -1 0 323.393 0.413 50 0 DCAARM Cc1cc(C(=O)NC[C@H]2COCCO2)cc(C)c1OCC(=O)[O-] ZINC000263480927 545986716 /nfs/dbraw/zinc/98/67/16/545986716.db2.gz APDKDJHLPLUXRN-ZDUSSCGKSA-N -1 0 323.345 0.912 50 0 DCAARM O=C(N=c1nc(CC2CC2)[n-]s1)[C@H]1CCc2nncn2C1 ZINC000585114242 546303437 /nfs/dbraw/zinc/30/34/37/546303437.db2.gz ONFACRWSRXZFHY-VIFPVBQESA-N -1 0 304.379 0.705 50 0 DCAARM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)/N=c1\[n-]nc(C)n1C ZINC000096010869 685111012 /nfs/dbraw/zinc/11/10/12/685111012.db2.gz LEYZFABXMVIEKZ-WDDYJBPVSA-N -1 0 323.422 0.742 50 0 DCAARM CN(CCS(C)(=O)=O)C(=O)c1n[n-]c2ccccc2c1=O ZINC000111600157 685115059 /nfs/dbraw/zinc/11/50/59/685115059.db2.gz QMPOXNKEYUCGMS-UHFFFAOYSA-N -1 0 309.347 0.040 50 0 DCAARM C[C@@]1(O)CCOC2(CCN(c3cncc(C(=O)[O-])n3)CC2)[C@H]1O ZINC001772700236 1157840329 /nfs/dbraw/zinc/84/03/29/1157840329.db2.gz AQROIPCODILYNX-UONOGXRCSA-N -1 0 323.349 0.046 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CC[C@H]1O ZINC001704297881 1179964675 /nfs/dbraw/zinc/96/46/75/1179964675.db2.gz AARMECZGPLORON-WDEREUQCSA-N -1 0 319.766 0.796 50 0 DCAARM COC(=O)[N-]S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000824156048 758760800 /nfs/dbraw/zinc/76/08/00/758760800.db2.gz UGXQDERQHREDMY-UHFFFAOYSA-N -1 0 317.342 0.549 50 0 DCAARM CC(C)Cn1ncc(C(=O)NCc2n[nH]c(=O)[n-]2)c1C(F)F ZINC000095443157 185367100 /nfs/dbraw/zinc/36/71/00/185367100.db2.gz RFBVQEHEEGZJHV-UHFFFAOYSA-N -1 0 314.296 0.818 50 0 DCAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000408513430 529933768 /nfs/dbraw/zinc/93/37/68/529933768.db2.gz CZNWTWKDVWAKOZ-LVDDQXARSA-N -1 0 318.329 0.371 50 0 DCAARM CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262566391 529960952 /nfs/dbraw/zinc/96/09/52/529960952.db2.gz BJWBLSFPOCKLOC-MELADBBJSA-N -1 0 307.346 0.743 50 0 DCAARM Cc1cc(CCC(=O)[O-])nc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072344323 191127288 /nfs/dbraw/zinc/12/72/88/191127288.db2.gz FPCQUOWYXMMFOW-NSHDSACASA-N -1 0 313.379 0.899 50 0 DCAARM CS(=O)(=O)N1CCC[C@H](c2cnc(CCC(=O)[O-])cn2)C1 ZINC000072344315 191128195 /nfs/dbraw/zinc/12/81/95/191128195.db2.gz KRZNEDYBFXDXCR-JTQLQIEISA-N -1 0 313.379 0.633 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000072411473 191153844 /nfs/dbraw/zinc/15/38/44/191153844.db2.gz TYLCGIOMOJFGER-UHFFFAOYSA-N -1 0 313.379 0.559 50 0 DCAARM O=C([O-])c1nccnc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000072401323 191150581 /nfs/dbraw/zinc/15/05/81/191150581.db2.gz ZJIVMFLXSYKWSY-UHFFFAOYSA-N -1 0 302.172 0.564 50 0 DCAARM O=C([O-])c1cc(S(=O)(=O)NCCO)ccc1Br ZINC000004749614 181147710 /nfs/dbraw/zinc/14/77/10/181147710.db2.gz HCXOEHQKUADOMX-UHFFFAOYSA-N -1 0 324.152 0.418 50 0 DCAARM O=S(=O)([O-])C[C@H](O)CSc1nnnn1-c1ccccc1 ZINC000004831615 181158803 /nfs/dbraw/zinc/15/88/03/181158803.db2.gz MVCQCFMCEAKWOZ-SECBINFHSA-N -1 0 316.364 0.003 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000005069732 181200609 /nfs/dbraw/zinc/20/06/09/181200609.db2.gz PZCCVITWUIVBNF-GXSJLCMTSA-N -1 0 316.273 0.379 50 0 DCAARM CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237174380 202176281 /nfs/dbraw/zinc/17/62/81/202176281.db2.gz PBLYXKQXCALJEY-LVDDQXARSA-N -1 0 302.330 0.993 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCCc1cn[nH]c1 ZINC000222774843 304070342 /nfs/dbraw/zinc/07/03/42/304070342.db2.gz AOOYEPHTGVPLIC-VXGBXAGGSA-N -1 0 311.338 0.107 50 0 DCAARM Cc1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180168096 199126400 /nfs/dbraw/zinc/12/64/00/199126400.db2.gz LNTCGGORVHBIAQ-NSHDSACASA-N -1 0 308.334 0.983 50 0 DCAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262753514 238179531 /nfs/dbraw/zinc/17/95/31/238179531.db2.gz KSZKMBITORMJDL-AVGNSLFASA-N -1 0 315.366 0.663 50 0 DCAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000006079065 181310634 /nfs/dbraw/zinc/31/06/34/181310634.db2.gz VZPHXKVSMQQSEI-LBPRGKRZSA-N -1 0 309.347 0.692 50 0 DCAARM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)NC(=O)CO3)CCSC1 ZINC000271899193 209308972 /nfs/dbraw/zinc/30/89/72/209308972.db2.gz XTLONEKEPRDXLM-AWEZNQCLSA-N -1 0 322.342 0.708 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)c2ccc(F)cc2C1=O ZINC000006493919 181345718 /nfs/dbraw/zinc/34/57/18/181345718.db2.gz AAIQGMJGNONOTG-NSHDSACASA-N -1 0 303.249 0.841 50 0 DCAARM O=C([O-])CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000408513615 239271562 /nfs/dbraw/zinc/27/15/62/239271562.db2.gz SQZJLNCAHMYNTK-UHFFFAOYSA-N -1 0 306.318 0.831 50 0 DCAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2ncnn2)C1 ZINC000091604458 193079081 /nfs/dbraw/zinc/07/90/81/193079081.db2.gz SZYFKSDQXWLLGT-AWEZNQCLSA-N -1 0 307.354 0.723 50 0 DCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1nc(C)no1)CC2 ZINC000091493691 193064520 /nfs/dbraw/zinc/06/45/20/193064520.db2.gz AQXUYLWHXUVNMI-LBPRGKRZSA-N -1 0 322.365 0.666 50 0 DCAARM CCn1cnnc1CN1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091706338 193094623 /nfs/dbraw/zinc/09/46/23/193094623.db2.gz CXOJIUZKZGTOTC-QWHCGFSZSA-N -1 0 301.350 0.993 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000268995038 304136050 /nfs/dbraw/zinc/13/60/50/304136050.db2.gz VEBVMIAKJGONJO-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCn1cncn1 ZINC000299741368 304151933 /nfs/dbraw/zinc/15/19/33/304151933.db2.gz FIVNBIQVEUSGSP-ZDUSSCGKSA-N -1 0 300.318 0.706 50 0 DCAARM CCN(CC)C(=O)CSC1=NC(=O)C(NC(C)=O)C([O-])=N1 ZINC000015746510 182014791 /nfs/dbraw/zinc/01/47/91/182014791.db2.gz RBPZGBZBTGVANK-UHFFFAOYSA-N -1 0 314.367 0.394 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CCO1 ZINC000362804028 257236008 /nfs/dbraw/zinc/23/60/08/257236008.db2.gz BVMXXSZQSBPZPT-ZDUSSCGKSA-N -1 0 316.317 0.583 50 0 DCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)C1CC=CC1)CC2 ZINC000426535934 257247993 /nfs/dbraw/zinc/24/79/93/257247993.db2.gz RNCNVPMNKZCXMH-GFCCVEGCSA-N -1 0 306.362 0.877 50 0 DCAARM CSCC[C@H](NC(C)=O)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000426411277 257251948 /nfs/dbraw/zinc/25/19/48/257251948.db2.gz ITQGBHOTIPXJHA-GWCFXTLKSA-N -1 0 302.396 0.710 50 0 DCAARM CSC[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000426368397 257252926 /nfs/dbraw/zinc/25/29/26/257252926.db2.gz YIMPYLPCKFUICX-JTQLQIEISA-N -1 0 317.411 0.312 50 0 DCAARM CCNC(=O)[C@H](C)NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009154315 395685177 /nfs/dbraw/zinc/68/51/77/395685177.db2.gz LXHHZEGJTUTMIE-JTQLQIEISA-N -1 0 313.379 0.508 50 0 DCAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000013615479 395688671 /nfs/dbraw/zinc/68/86/71/395688671.db2.gz OGSNWELMKLHCMJ-UHFFFAOYSA-N -1 0 306.318 0.962 50 0 DCAARM CN1C(=O)[N-]C(=O)C(=CNC[C@@]2(C)C[C@H](O)CC(C)(C)C2)C1=O ZINC000019535470 395690981 /nfs/dbraw/zinc/69/09/81/395690981.db2.gz HNZXOGMTIJYWCC-VTGFDSTCSA-N -1 0 323.393 0.745 50 0 DCAARM C[C@@H]1O[C@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@H](O)[C@H](O)[C@@H]1O ZINC000000104354 395679765 /nfs/dbraw/zinc/67/97/65/395679765.db2.gz IOBCYGJFFBZLHE-ALROSTPSSA-N -1 0 317.725 0.278 50 0 DCAARM COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000000240045 395680053 /nfs/dbraw/zinc/68/00/53/395680053.db2.gz BGEISYFKCAFHOB-SECBINFHSA-N -1 0 315.347 0.851 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000002303471 395681376 /nfs/dbraw/zinc/68/13/76/395681376.db2.gz XRFGACMIQVNXKX-UHFFFAOYSA-N -1 0 305.117 0.924 50 0 DCAARM O=C([O-])c1ccc(NNC(=S)NCCN2CCOCC2)cc1 ZINC000003265230 395682417 /nfs/dbraw/zinc/68/24/17/395682417.db2.gz WHPXQZSWHOOZQP-UHFFFAOYSA-N -1 0 324.406 0.508 50 0 DCAARM Cn1cc(Br)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374643 395707367 /nfs/dbraw/zinc/70/73/67/395707367.db2.gz QKNGSSFIOYRJIG-VIFPVBQESA-N -1 0 317.139 0.713 50 0 DCAARM CS(=O)(=O)N1CCC[C@H](C(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000037419457 395727148 /nfs/dbraw/zinc/72/71/48/395727148.db2.gz AQZMNDMRTOVWPH-JTQLQIEISA-N -1 0 318.395 0.172 50 0 DCAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCS(=O)(=O)CC1 ZINC000097546439 395758595 /nfs/dbraw/zinc/75/85/95/395758595.db2.gz URIJWVFSJFGHMW-UHFFFAOYSA-N -1 0 324.333 0.950 50 0 DCAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1CN1CCCCC1=O ZINC000097575039 395759050 /nfs/dbraw/zinc/75/90/50/395759050.db2.gz DQXMCDAWSSKHFH-JTQLQIEISA-N -1 0 308.338 0.379 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100061354 395762564 /nfs/dbraw/zinc/76/25/64/395762564.db2.gz SHYZHEQLCKMYAP-UWVGGRQHSA-N -1 0 321.720 0.639 50 0 DCAARM Cc1cc(=O)n2nc(C(=O)Nc3ccc4c(c3)OCO4)[n-]c2n1 ZINC000101478393 395764432 /nfs/dbraw/zinc/76/44/32/395764432.db2.gz OMOVNDXBDQHQCR-UHFFFAOYSA-N -1 0 313.273 0.707 50 0 DCAARM O=C([O-])CCNC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000049544816 395832652 /nfs/dbraw/zinc/83/26/52/395832652.db2.gz PYDCFTAUMQTUNL-UHFFFAOYSA-N -1 0 319.292 0.640 50 0 DCAARM Cc1nccn1[C@H](C)CC(=O)NCCc1nc(C)cc(=O)[nH]1 ZINC000222452673 395852655 /nfs/dbraw/zinc/85/26/55/395852655.db2.gz FQKUZYGYQOZNKM-LLVKDONJSA-N -1 0 303.366 0.893 50 0 DCAARM Cn1nc(C(=O)N2CCN(C)[C@@H](C(=O)[O-])C2)c2c1CCCC2 ZINC000067772214 396033262 /nfs/dbraw/zinc/03/32/62/396033262.db2.gz ISXWRRYYKFEEDW-GFCCVEGCSA-N -1 0 306.366 0.140 50 0 DCAARM C[C@H]1Oc2cc(S(=O)(=O)[N-]c3cnn(C)c3)ccc2NC1=O ZINC000252480932 396020210 /nfs/dbraw/zinc/02/02/10/396020210.db2.gz CGKUGMYBUDTPHB-MRVPVSSYSA-N -1 0 322.346 0.940 50 0 DCAARM C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000261931534 396081052 /nfs/dbraw/zinc/08/10/52/396081052.db2.gz JQCAVYHSFZYPBB-ZWNOBZJWSA-N -1 0 304.302 0.638 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1cccc(N2CCCC2=O)c1 ZINC000262499198 396147741 /nfs/dbraw/zinc/14/77/41/396147741.db2.gz YVXGIUSZFXAUKO-UHFFFAOYSA-N -1 0 320.345 0.987 50 0 DCAARM O=C([O-])[C@]1(F)CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262883647 396190257 /nfs/dbraw/zinc/19/02/57/396190257.db2.gz ZIERXSCHSISBNS-LBPRGKRZSA-N -1 0 307.343 0.369 50 0 DCAARM Cn1c2ccccc2n(CCC(=O)N2CC[C@H](C(=O)[O-])C2)c1=O ZINC000178260996 396191999 /nfs/dbraw/zinc/19/19/99/396191999.db2.gz FWLCWKBWHJRPJW-NSHDSACASA-N -1 0 317.345 0.663 50 0 DCAARM COc1cc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000263014913 396198074 /nfs/dbraw/zinc/19/80/74/396198074.db2.gz RQEHERZZOFGIEN-AWEZNQCLSA-N -1 0 323.345 0.948 50 0 DCAARM Cc1oc2ccccc2c1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000193010811 396442131 /nfs/dbraw/zinc/44/21/31/396442131.db2.gz VJZUJVHJWWMJOA-UHFFFAOYSA-N -1 0 324.358 0.937 50 0 DCAARM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cc(C(=O)[O-])on1 ZINC000585134374 396640882 /nfs/dbraw/zinc/64/08/82/396640882.db2.gz PTKRGJKLYPYGEM-UHFFFAOYSA-N -1 0 321.333 0.846 50 0 DCAARM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000630247787 396969422 /nfs/dbraw/zinc/96/94/22/396969422.db2.gz BFGHPXADYMADTN-IAQYHMDHSA-N -1 0 312.366 0.193 50 0 DCAARM COCc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000578221354 397407248 /nfs/dbraw/zinc/40/72/48/397407248.db2.gz RFNZDHHRAYPICO-LBPRGKRZSA-N -1 0 315.347 0.307 50 0 DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000370544484 397499319 /nfs/dbraw/zinc/49/93/19/397499319.db2.gz TZINWHTWTFTEMN-LLVKDONJSA-N -1 0 303.311 0.441 50 0 DCAARM CCO[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262204807 158784724 /nfs/dbraw/zinc/78/47/24/158784724.db2.gz PBVUJLCFYMPYHW-QJPTWQEYSA-N -1 0 312.366 0.193 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC000299751671 292452700 /nfs/dbraw/zinc/45/27/00/292452700.db2.gz RGKLWXMPJCETPV-LBPRGKRZSA-N -1 0 320.345 0.696 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1COc2cc(OC)ccc2C1 ZINC000299753368 292452797 /nfs/dbraw/zinc/45/27/97/292452797.db2.gz XZLJGAZKROJOBW-GFCCVEGCSA-N -1 0 323.345 0.806 50 0 DCAARM C[C@H]1CCCN(Cc2c(C(=O)[O-])nnn2-c2nonc2N)C1 ZINC000005484086 415134715 /nfs/dbraw/zinc/13/47/15/415134715.db2.gz OUSXDWQQFWQIHN-ZETCQYMHSA-N -1 0 307.314 0.163 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000269028669 415249730 /nfs/dbraw/zinc/24/97/30/415249730.db2.gz LSPDQXNUVWCUEP-GFCCVEGCSA-N -1 0 316.335 0.125 50 0 DCAARM COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000045896123 415254865 /nfs/dbraw/zinc/25/48/65/415254865.db2.gz MAKSGEODMJKKIJ-NSHDSACASA-N -1 0 315.289 0.833 50 0 DCAARM C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1[n-]c(=O)ccc1=O ZINC000048290495 415287836 /nfs/dbraw/zinc/28/78/36/415287836.db2.gz JFJKNMAURPPISR-NEPJUHHUSA-N -1 0 309.366 0.660 50 0 DCAARM COCCn1nc(C(=O)[N-]OCc2ccccc2)ccc1=O ZINC000049600829 415309572 /nfs/dbraw/zinc/30/95/72/415309572.db2.gz KTTGPGMMLXJSTA-UHFFFAOYSA-N -1 0 303.318 0.751 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(F)cc1F ZINC000088373966 415515942 /nfs/dbraw/zinc/51/59/42/415515942.db2.gz UGRJRUUNYPFOPJ-SNVBAGLBSA-N -1 0 301.245 0.656 50 0 DCAARM O=C([O-])C1(NC(=O)COc2ccc3nncn3n2)CCCC1 ZINC000299780504 416068015 /nfs/dbraw/zinc/06/80/15/416068015.db2.gz CQEIPJIXZOHJOX-UHFFFAOYSA-N -1 0 305.294 0.017 50 0 DCAARM CC(=O)N[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000299777874 416068176 /nfs/dbraw/zinc/06/81/76/416068176.db2.gz CRJAJSNKNAYPRT-CQSZACIVSA-N -1 0 319.361 0.924 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC000376789411 417038008 /nfs/dbraw/zinc/03/80/08/417038008.db2.gz HQHUIMININDBFQ-SNVBAGLBSA-N -1 0 314.301 1.032 50 0 DCAARM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000653496689 418083005 /nfs/dbraw/zinc/08/30/05/418083005.db2.gz DGXYHTMVGRJHHC-NWDGAFQWSA-N -1 0 314.363 0.176 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCCO3)CCO1 ZINC000492177911 287569138 /nfs/dbraw/zinc/56/91/38/287569138.db2.gz BGNMVLOAYDWQDE-CTGSTSKSSA-N -1 0 319.313 0.783 50 0 DCAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000299743704 229380911 /nfs/dbraw/zinc/38/09/11/229380911.db2.gz OXKNLPFPHRLENM-JTQLQIEISA-N -1 0 312.347 0.189 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CCO1 ZINC000299749872 229394335 /nfs/dbraw/zinc/39/43/35/229394335.db2.gz LXFVHKBTWJTDJR-LBPRGKRZSA-N -1 0 320.280 0.332 50 0 DCAARM CC[C@H](C)NC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000009690291 287605856 /nfs/dbraw/zinc/60/58/56/287605856.db2.gz OXFWXQQSXSQBHW-VIFPVBQESA-N -1 0 311.363 0.250 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000331106998 278066806 /nfs/dbraw/zinc/06/68/06/278066806.db2.gz GVBCGTODJXRHOL-MNOVXSKESA-N -1 0 302.396 0.771 50 0 DCAARM COc1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1N1CCNC1=O ZINC000263266604 295079646 /nfs/dbraw/zinc/07/96/46/295079646.db2.gz HLUFUIRBMUPULB-SECBINFHSA-N -1 0 321.333 0.770 50 0 DCAARM Cc1nc2[n-]c(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nn2c(=O)c1C ZINC000102815327 302684975 /nfs/dbraw/zinc/68/49/75/302684975.db2.gz DNCGEIFVMKTVRJ-NXEZZACHSA-N -1 0 313.317 0.902 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CCOC[C@H]3CC(=O)[O-])cc21 ZINC000263293736 302891963 /nfs/dbraw/zinc/89/19/63/302891963.db2.gz LZIRJFBBDNGTHD-SNVBAGLBSA-N -1 0 319.317 0.182 50 0 DCAARM Cn1ccnc1[C@H]1CCCN(C(=O)c2[nH]cnc2C(=O)[O-])C1 ZINC000299766021 303005590 /nfs/dbraw/zinc/00/55/90/303005590.db2.gz ZJVXEECVWIUHKV-VIFPVBQESA-N -1 0 303.322 0.861 50 0 DCAARM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CCn2cnnc2)C1 ZINC000534648282 334316545 /nfs/dbraw/zinc/31/65/45/334316545.db2.gz QLBHVACROQLMCL-INIZCTEOSA-N -1 0 314.345 0.923 50 0 DCAARM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CCn2cnnc2)C1 ZINC000534648285 334316571 /nfs/dbraw/zinc/31/65/71/334316571.db2.gz QLBHVACROQLMCL-MRXNPFEDSA-N -1 0 314.345 0.923 50 0 DCAARM Cn1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1=O ZINC000408513358 534731042 /nfs/dbraw/zinc/73/10/42/534731042.db2.gz XGMCOFADGOUNRI-GFCCVEGCSA-N -1 0 308.334 0.481 50 0 DCAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000262585499 545985806 /nfs/dbraw/zinc/98/58/06/545985806.db2.gz ZRAQUUBOZVLSKU-XJKSGUPXSA-N -1 0 305.330 0.940 50 0 DCAARM Cc1oc(CN(C)C(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000262430150 545985911 /nfs/dbraw/zinc/98/59/11/545985911.db2.gz DSWQIWWSSXYLOC-SECBINFHSA-N -1 0 315.347 0.679 50 0 DCAARM NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccccc1-c1nn[nH]n1 ZINC000670472622 547101223 /nfs/dbraw/zinc/10/12/23/547101223.db2.gz JHGZCILNFURVKE-VXGBXAGGSA-N -1 0 312.333 0.417 50 0 DCAARM CCOCCC(=O)[N-]S(=O)(=O)c1sc(OC)nc1C ZINC000888099236 661178106 /nfs/dbraw/zinc/17/81/06/661178106.db2.gz DGWHZKHEUCRABB-UHFFFAOYSA-N -1 0 308.381 0.692 50 0 DCAARM Cc1nc(C2CCN(c3ncncc3CC(=O)[O-])CC2)n[nH]1 ZINC000095366084 685111807 /nfs/dbraw/zinc/11/18/07/685111807.db2.gz FQQLWTLXADGMFQ-UHFFFAOYSA-N -1 0 302.338 0.914 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(c2nccnc2N(C)C)C[C@@H]1O ZINC001704330430 1179975505 /nfs/dbraw/zinc/97/55/05/1179975505.db2.gz BZFSQFDZIJINNZ-NHYWBVRUSA-N -1 0 308.382 0.985 50 0 DCAARM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000089960376 185271915 /nfs/dbraw/zinc/27/19/15/185271915.db2.gz HMTGCZYKEYRWFU-NSHDSACASA-N -1 0 320.411 0.514 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000071284643 190952481 /nfs/dbraw/zinc/95/24/81/190952481.db2.gz IDVWKUUHLDAKLU-ZJUUUORDSA-N -1 0 312.347 0.629 50 0 DCAARM CCOC(=O)C(=O)N(Cc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000072406280 191152693 /nfs/dbraw/zinc/15/26/93/191152693.db2.gz JHKKWCMQSSHUEJ-UHFFFAOYSA-N -1 0 324.724 0.848 50 0 DCAARM COc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@@H](C)O)CC1 ZINC000072476646 191178314 /nfs/dbraw/zinc/17/83/14/191178314.db2.gz ZGHGXPOSAILJQT-LLVKDONJSA-N -1 0 323.345 0.901 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000004352504 181100968 /nfs/dbraw/zinc/10/09/68/181100968.db2.gz IRLFDERRZXNXJQ-MWLCHTKSSA-N -1 0 304.258 0.112 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2 ZINC000004481389 181113114 /nfs/dbraw/zinc/11/31/14/181113114.db2.gz IUVQLEITIGXDTB-NXEZZACHSA-N -1 0 305.265 0.206 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000004831892 181158527 /nfs/dbraw/zinc/15/85/27/181158527.db2.gz NSDBTGQATAHIJG-RYUDHWBXSA-N -1 0 315.329 0.684 50 0 DCAARM COCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000004840651 181160710 /nfs/dbraw/zinc/16/07/10/181160710.db2.gz PARRAQJVACLVCV-SECBINFHSA-N -1 0 310.331 0.646 50 0 DCAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000237409936 202257389 /nfs/dbraw/zinc/25/73/89/202257389.db2.gz ITYJMOONIZENRP-PWSUYJOCSA-N -1 0 315.333 0.977 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000072152082 304078641 /nfs/dbraw/zinc/07/86/41/304078641.db2.gz BCMZZCJLZJOVIP-LLVKDONJSA-N -1 0 307.302 0.774 50 0 DCAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1COCCO1 ZINC000268906122 238252816 /nfs/dbraw/zinc/25/28/16/238252816.db2.gz YOCVTVCQUXDHDL-ZIAGYGMSSA-N -1 0 318.329 0.695 50 0 DCAARM COCCOc1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268977084 238254339 /nfs/dbraw/zinc/25/43/39/238254339.db2.gz KFGOENFUIRXAEP-ZDUSSCGKSA-N -1 0 309.318 0.637 50 0 DCAARM Cc1nn(C)c(=O)c(C(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC000277188869 238328518 /nfs/dbraw/zinc/32/85/18/238328518.db2.gz FSDGCRVMJOFVEN-UHFFFAOYSA-N -1 0 307.350 0.770 50 0 DCAARM COC[C@@H]1CCCN1C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000092002320 193139505 /nfs/dbraw/zinc/13/95/05/193139505.db2.gz MTSGLMKGVVXQKA-ZDUSSCGKSA-N -1 0 317.345 0.994 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)C2=NNC(=O)CC2)C[C@H]1c1ccccc1 ZINC000092021533 193143780 /nfs/dbraw/zinc/14/37/80/193143780.db2.gz CJWCMRDYBBKRDH-NWDGAFQWSA-N -1 0 315.329 0.579 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000299752233 304138463 /nfs/dbraw/zinc/13/84/63/304138463.db2.gz SYFUEPRPSWHEJU-QWHCGFSZSA-N -1 0 308.378 0.958 50 0 DCAARM O=C([O-])CCNC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000012321106 181748887 /nfs/dbraw/zinc/74/88/87/181748887.db2.gz ZEDLYGQGEOSKNE-UHFFFAOYSA-N -1 0 303.311 0.580 50 0 DCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000020030495 182181675 /nfs/dbraw/zinc/18/16/75/182181675.db2.gz WVKOEPSDRZTGBQ-UHFFFAOYSA-N -1 0 317.273 0.451 50 0 DCAARM CCC(NCCO)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020325025 182207855 /nfs/dbraw/zinc/20/78/55/182207855.db2.gz KVMNKKHAZCHHNO-VAWYXSNFSA-N -1 0 309.366 0.644 50 0 DCAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000020616719 182239507 /nfs/dbraw/zinc/23/95/07/182239507.db2.gz ORDYWIQJAPQKBS-UHFFFAOYSA-N -1 0 312.289 0.951 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000035126661 182755113 /nfs/dbraw/zinc/75/51/13/182755113.db2.gz QFEPLCKVLFMQFE-UHFFFAOYSA-N -1 0 302.327 0.217 50 0 DCAARM CCOc1cc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)ccc1O ZINC000101347929 193811274 /nfs/dbraw/zinc/81/12/74/193811274.db2.gz LFUXYFINDAGHHT-VIFPVBQESA-N -1 0 303.278 0.761 50 0 DCAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117902 184206338 /nfs/dbraw/zinc/20/63/38/184206338.db2.gz AAOBVZQAQIEPHA-SNVBAGLBSA-N -1 0 311.359 0.945 50 0 DCAARM COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000062132470 184207731 /nfs/dbraw/zinc/20/77/31/184207731.db2.gz HXOQXLXHRQUCAY-MRVPVSSYSA-N -1 0 303.311 0.930 50 0 DCAARM Cc1cccc([C@H](NC(=O)CN2CCN(C)C2=O)C(=O)[O-])c1 ZINC000426641399 257245519 /nfs/dbraw/zinc/24/55/19/257245519.db2.gz QYMCZMDQYPRQSJ-ZDUSSCGKSA-N -1 0 305.334 0.604 50 0 DCAARM CN(Cc1ccc2c(c1)OCO2)C(=O)NCCCc1nnn[n-]1 ZINC000426498616 257248177 /nfs/dbraw/zinc/24/81/77/257248177.db2.gz OHNURXCKVIGGKC-UHFFFAOYSA-N -1 0 318.337 0.703 50 0 DCAARM O=C([O-])[C@@H]1C=CCN1C(=O)CN1CCOc2ccccc2C1 ZINC000426473544 257249447 /nfs/dbraw/zinc/24/94/47/257249447.db2.gz KYERKXKUMOVELZ-ZDUSSCGKSA-N -1 0 302.330 0.733 50 0 DCAARM CC(C)(C)N1C[C@@H](C(=O)NC2(C(=O)[O-])CCOCC2)CC1=O ZINC000426402048 257251626 /nfs/dbraw/zinc/25/16/26/257251626.db2.gz SCTFDJGLPHJTAQ-JTQLQIEISA-N -1 0 312.366 0.383 50 0 DCAARM CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC000262066559 257256566 /nfs/dbraw/zinc/25/65/66/257256566.db2.gz BGMDTZCNRNMRSE-SECBINFHSA-N -1 0 311.338 0.173 50 0 DCAARM CCOC(=O)c1c[nH]c(=O)c(I)c1[O-] ZINC000071789046 184841844 /nfs/dbraw/zinc/84/18/44/184841844.db2.gz NAEVKPUTXWCATO-UHFFFAOYSA-N -1 0 309.059 0.862 50 0 DCAARM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000250355610 288886789 /nfs/dbraw/zinc/88/67/89/288886789.db2.gz BQICIBVXOIQTKT-MXWKQRLJSA-N -1 0 303.380 0.523 50 0 DCAARM COC(=O)c1cccc(NC(=O)CCn2[n-]c(=O)ccc2=O)c1 ZINC000012983721 395688243 /nfs/dbraw/zinc/68/82/43/395688243.db2.gz LVICIMRIWBCYPM-UHFFFAOYSA-N -1 0 317.301 0.352 50 0 DCAARM Cn1cc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3)n2)cn1 ZINC000002803842 395681938 /nfs/dbraw/zinc/68/19/38/395681938.db2.gz WDSZELCUJCVZAM-UHFFFAOYSA-N -1 0 318.362 0.861 50 0 DCAARM NC(=O)[C@@H]1CC(C(=O)[N-]C2=NCCS2)=NN1c1ccccc1 ZINC000030656239 395704024 /nfs/dbraw/zinc/70/40/24/395704024.db2.gz PSRDQOKYJZMQKB-NSHDSACASA-N -1 0 317.374 0.326 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N(Cc1ccncc1)C1CC1 ZINC000089765116 395714954 /nfs/dbraw/zinc/71/49/54/395714954.db2.gz SLJXVRRRLAUMBF-UHFFFAOYSA-N -1 0 300.318 0.123 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000036700680 395724376 /nfs/dbraw/zinc/72/43/76/395724376.db2.gz OMJCIVDUBMXYJU-OAHLLOKOSA-N -1 0 305.334 0.830 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000034926336 395718700 /nfs/dbraw/zinc/71/87/00/395718700.db2.gz RTOGGNKEKCMWCV-QWRGUYRKSA-N -1 0 304.350 0.482 50 0 DCAARM COc1ccc(OC)c(S(=O)(=O)NCCCC(=O)[O-])c1 ZINC000035686134 395721343 /nfs/dbraw/zinc/72/13/43/395721343.db2.gz BWNJUDHQVZAVDD-UHFFFAOYSA-N -1 0 303.336 0.847 50 0 DCAARM CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037493641 395727943 /nfs/dbraw/zinc/72/79/43/395727943.db2.gz MYTDYTAROLKTCT-UHFFFAOYSA-N -1 0 309.347 0.939 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCOCC2)C1 ZINC000092028208 395728809 /nfs/dbraw/zinc/72/88/09/395728809.db2.gz TUZYLOMHYKMQPV-AWEZNQCLSA-N -1 0 300.355 0.642 50 0 DCAARM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037796069 395729044 /nfs/dbraw/zinc/72/90/44/395729044.db2.gz YLCHMDBWABWIIG-JGVFFNPUSA-N -1 0 314.319 0.002 50 0 DCAARM C[C@H](CC(=O)[O-])NC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000040544357 395734219 /nfs/dbraw/zinc/73/42/19/395734219.db2.gz WCPGCQZZMFIQQY-SSDOTTSWSA-N -1 0 301.324 0.319 50 0 DCAARM COc1ccc(CN2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1OC ZINC000096113681 395745540 /nfs/dbraw/zinc/74/55/40/395745540.db2.gz QNPOWNQAVNTBFP-JTQLQIEISA-N -1 0 322.317 0.989 50 0 biogenic DCAARM Cc1noc(C)c1CCC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000096139386 395746244 /nfs/dbraw/zinc/74/62/44/395746244.db2.gz OHRSJLBNSFFWEK-ZDUSSCGKSA-N -1 0 318.333 0.985 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000096316598 395752455 /nfs/dbraw/zinc/75/24/55/395752455.db2.gz MDDAPCSZKDCYDM-NWDGAFQWSA-N -1 0 315.329 0.684 50 0 DCAARM CCOc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000100062377 395762557 /nfs/dbraw/zinc/76/25/57/395762557.db2.gz UMDBHGHZVHNQDX-QWRGUYRKSA-N -1 0 317.301 0.076 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000100639130 395763710 /nfs/dbraw/zinc/76/37/10/395763710.db2.gz ABFHOVXTVRLVQZ-PWSUYJOCSA-N -1 0 302.286 0.802 50 0 DCAARM CC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101040909 395763848 /nfs/dbraw/zinc/76/38/48/395763848.db2.gz RUUKGGBZCURXNO-DHZHZOJOSA-N -1 0 323.736 0.779 50 0 DCAARM CCCCn1nc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1=O ZINC000236727177 395897090 /nfs/dbraw/zinc/89/70/90/395897090.db2.gz GSPJGKANKOASTC-LLVKDONJSA-N -1 0 307.350 0.980 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000053626848 395886953 /nfs/dbraw/zinc/88/69/53/395886953.db2.gz MMZUYMRACDCOMP-HKWYAPCNSA-N -1 0 301.302 0.213 50 0 DCAARM Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cn1[n-]c(=O)ccc1=O ZINC000067955020 396040588 /nfs/dbraw/zinc/04/05/88/396040588.db2.gz APPAPTHGTAJKHK-NSHDSACASA-N -1 0 318.333 0.917 50 0 DCAARM COc1ccccc1/C=C\CN1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000252463130 396020151 /nfs/dbraw/zinc/02/01/51/396020151.db2.gz ZBXZZODSQINRIV-RYWCDNDXSA-N -1 0 304.346 0.984 50 0 DCAARM Cc1nc2cc[n-]n2c(=O)c1CCC(=O)N[C@@H](CO)C(C)C ZINC000252491841 396020821 /nfs/dbraw/zinc/02/08/21/396020821.db2.gz LWLCUDQPYYSMRE-LBPRGKRZSA-N -1 0 306.366 0.809 50 0 DCAARM COc1cccc(S(=O)(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000169785274 396092509 /nfs/dbraw/zinc/09/25/09/396092509.db2.gz MPDHDUHZBIWTAW-SNVBAGLBSA-N -1 0 323.378 0.777 50 0 DCAARM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(C2CC2)[nH]n1 ZINC000170619120 396095846 /nfs/dbraw/zinc/09/58/46/396095846.db2.gz BRZRGWRHQFCPNA-UHFFFAOYSA-N -1 0 311.305 0.808 50 0 DCAARM CC[C@@H](C(=O)[O-])n1c(C)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000170624204 396096424 /nfs/dbraw/zinc/09/64/24/396096424.db2.gz QSSFKJUFBIVERK-ZETCQYMHSA-N -1 0 305.294 0.020 50 0 DCAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000071282792 396111941 /nfs/dbraw/zinc/11/19/41/396111941.db2.gz PBWBEQRKDUJXGR-VXGBXAGGSA-N -1 0 318.377 0.872 50 0 DCAARM C[C@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1F ZINC000072310657 396130769 /nfs/dbraw/zinc/13/07/69/396130769.db2.gz CEHPIIUIRFZUJH-JTQLQIEISA-N -1 0 316.354 0.622 50 0 DCAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262928081 396192137 /nfs/dbraw/zinc/19/21/37/396192137.db2.gz FXAGIGJORHDZAH-SRVKXCTJSA-N -1 0 301.339 0.273 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCO1 ZINC000262917892 396192439 /nfs/dbraw/zinc/19/24/39/396192439.db2.gz UOSVVZKWQMEKFK-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM CC(=O)Nc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000262991346 396196393 /nfs/dbraw/zinc/19/63/93/396196393.db2.gz OLEGFLORTYYYIG-GFCCVEGCSA-N -1 0 310.281 0.710 50 0 DCAARM C[C@H]1Oc2c(cccc2C(=O)N2CCOC[C@@H]2C(=O)[O-])NC1=O ZINC000268964808 396378971 /nfs/dbraw/zinc/37/89/71/396378971.db2.gz CDSJLWKZRQITEN-LDYMZIIASA-N -1 0 320.301 0.332 50 0 DCAARM C[C@@H]1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)O[C@H]1C(=O)[O-] ZINC000630114460 396942880 /nfs/dbraw/zinc/94/28/80/396942880.db2.gz OTSRYDGGSIPYOW-GWNIPJSYSA-N -1 0 320.345 0.077 50 0 DCAARM O=C([O-])COc1cccc(C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000621537853 397395389 /nfs/dbraw/zinc/39/53/89/397395389.db2.gz UAYNVCNUPYFDCW-GFCCVEGCSA-N -1 0 306.318 0.549 50 0 DCAARM Cc1nc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])cn1C ZINC000050253276 415313407 /nfs/dbraw/zinc/31/34/07/415313407.db2.gz MVCMCOFFBDNPEO-SNVBAGLBSA-N -1 0 301.368 0.746 50 0 DCAARM Cc1ccsc1[C@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)[NH+](C)C ZINC000067934419 415390683 /nfs/dbraw/zinc/39/06/83/415390683.db2.gz QEULQJMZMLYMFQ-JTQLQIEISA-N -1 0 322.390 0.466 50 0 DCAARM COc1cc(OC)c(CN2CCOC[C@H]2CO)c(C(=O)[O-])c1 ZINC000097155796 415588029 /nfs/dbraw/zinc/58/80/29/415588029.db2.gz NFJBNOAHOUXJKH-SNVBAGLBSA-N -1 0 311.334 0.595 50 0 DCAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)C(=O)N1CCc2ccccc21 ZINC000118960068 415737947 /nfs/dbraw/zinc/73/79/47/415737947.db2.gz LUIJBCBNRLXLNL-JTQLQIEISA-N -1 0 302.330 0.945 50 0 DCAARM CN1CCN(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)C1=O ZINC000299790146 416068644 /nfs/dbraw/zinc/06/86/44/416068644.db2.gz ASOJSJDMTAFOFY-GFCCVEGCSA-N -1 0 305.334 0.686 50 0 DCAARM CN(CC(=O)N1CCOC[C@H]1CC(=O)[O-])Cc1ccccn1 ZINC000299796424 416071049 /nfs/dbraw/zinc/07/10/49/416071049.db2.gz NVABWBVDBGOLRQ-CYBMUJFWSA-N -1 0 307.350 0.216 50 0 DCAARM CC(C)CS(=O)(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299800341 416071904 /nfs/dbraw/zinc/07/19/04/416071904.db2.gz WEWZIIGIDGRYGP-VHSXEESVSA-N -1 0 316.383 0.281 50 0 DCAARM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000263246729 416337470 /nfs/dbraw/zinc/33/74/70/416337470.db2.gz GHVGDIOWFGPDAE-NSHDSACASA-N -1 0 317.407 0.913 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000238071699 416329748 /nfs/dbraw/zinc/32/97/48/416329748.db2.gz DYWYZBIDGIZNOF-LLVKDONJSA-N -1 0 301.306 0.416 50 0 DCAARM Cc1noc2nc(C)cc(C(=O)N(C)Cc3nc(=O)o[n-]3)c12 ZINC000585130348 416519477 /nfs/dbraw/zinc/51/94/77/416519477.db2.gz NSDRDAUSFXBOOL-UHFFFAOYSA-N -1 0 303.278 0.788 50 0 DCAARM Cc1nc(-c2cccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2)no1 ZINC000299753914 229399703 /nfs/dbraw/zinc/39/97/03/229399703.db2.gz ZTQFHJROTFZSFX-LBPRGKRZSA-N -1 0 317.301 0.971 50 0 DCAARM COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)[O-] ZINC000004044667 295277627 /nfs/dbraw/zinc/27/76/27/295277627.db2.gz NHKYSERBWAEUMK-ISVAXAHUSA-N -1 0 321.285 0.948 50 0 biogenic DCAARM NC(=O)COc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000299749945 303253186 /nfs/dbraw/zinc/25/31/86/303253186.db2.gz MEWUXTCAICINAH-LBPRGKRZSA-N -1 0 306.318 0.630 50 0 DCAARM Cc1cc(C)n(C2CN(Cc3cnc(NCC(=O)[O-])nc3)C2)n1 ZINC000534588295 334292876 /nfs/dbraw/zinc/29/28/76/334292876.db2.gz LEBQWSXREXGQBN-UHFFFAOYSA-N -1 0 316.365 0.843 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000268971754 534539146 /nfs/dbraw/zinc/53/91/46/534539146.db2.gz HMUHMMPANXMTDX-CQSZACIVSA-N -1 0 315.329 0.857 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000299745928 526678215 /nfs/dbraw/zinc/67/82/15/526678215.db2.gz UDQHIVVTWDOREP-GFCCVEGCSA-N -1 0 308.359 0.922 50 0 DCAARM CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000299748681 528566208 /nfs/dbraw/zinc/56/62/08/528566208.db2.gz HVPOGNPODTUXMG-BXUZGUMPSA-N -1 0 319.361 0.656 50 0 DCAARM N=c1nn[n-]n1CC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000952967062 685599200 /nfs/dbraw/zinc/59/92/00/685599200.db2.gz IJGLPKLMFHDHCY-UHFFFAOYSA-N -1 0 311.349 0.758 50 0 DCAARM CCN1C[C@H](C(=O)NCCCc2nonc2C(=O)[O-])CCC1=O ZINC000095508850 685111273 /nfs/dbraw/zinc/11/12/73/685111273.db2.gz RYICBNLIFVEIGW-SECBINFHSA-N -1 0 324.337 0.075 50 0 DCAARM CSc1ncc(C(=O)[O-])c(N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000149833409 685131581 /nfs/dbraw/zinc/13/15/81/685131581.db2.gz XLHKUMDCQIKIJW-ZCFIWIBFSA-N -1 0 303.365 0.496 50 0 DCAARM CC(=O)c1cnc(N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)nc1C ZINC001772709012 1157845823 /nfs/dbraw/zinc/84/58/23/1157845823.db2.gz MHSJRSRERPCVQC-SSDOTTSWSA-N -1 0 304.310 0.906 50 0 DCAARM COc1cccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704343496 1179980596 /nfs/dbraw/zinc/98/05/96/1179980596.db2.gz CRLYXRHNGTYSKU-NWDGAFQWSA-N -1 0 315.347 0.151 50 0 DCAARM Cc1csc(CNC(=O)c2cnc3nc(C)[n-]n3c2=O)n1 ZINC000825258307 758801296 /nfs/dbraw/zinc/80/12/96/758801296.db2.gz QPVLXRZLRMEBKE-UHFFFAOYSA-N -1 0 304.335 0.421 50 0 DCAARM CCn1nnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000585128898 766290637 /nfs/dbraw/zinc/29/06/37/766290637.db2.gz QIQAMZKEMUQONY-UHFFFAOYSA-N -1 0 319.749 1.427 50 0 DCAARM CC(C)(C)NC(=O)CN1CCN(Cc2nc(C(=O)[O-])co2)CC1 ZINC001529146175 1014505335 /nfs/dbraw/zinc/50/53/35/1014505335.db2.gz WSKMIGCPWKLFJA-UHFFFAOYSA-N -1 0 324.381 0.405 50 0 DCAARM COc1nc2c(cc1C(=O)NC1(C(=O)[O-])CCOCC1)CCC2 ZINC000095517493 185376750 /nfs/dbraw/zinc/37/67/50/185376750.db2.gz VQJSFUIKFFRMNE-UHFFFAOYSA-N -1 0 320.345 0.943 50 0 DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000088377027 185247820 /nfs/dbraw/zinc/24/78/20/185247820.db2.gz ZUHOOYBHSPBTOO-SNVBAGLBSA-N -1 0 305.739 0.814 50 0 DCAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000082097391 192354796 /nfs/dbraw/zinc/35/47/96/192354796.db2.gz HVYFQWHFXQKGNL-LBPRGKRZSA-N -1 0 318.381 0.745 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000095424211 185361506 /nfs/dbraw/zinc/36/15/06/185361506.db2.gz GSODGPHCZXNFKE-LBPRGKRZSA-N -1 0 303.318 0.795 50 0 DCAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000095441308 185366473 /nfs/dbraw/zinc/36/64/73/185366473.db2.gz DETALSGZLOWOGS-UHFFFAOYSA-N -1 0 318.724 0.867 50 0 DCAARM COC(=O)c1n[nH]c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000095466247 185371668 /nfs/dbraw/zinc/37/16/68/185371668.db2.gz QORMZVQWNDRYHH-UHFFFAOYSA-N -1 0 324.318 0.327 50 0 DCAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ccnn2)c1 ZINC000071750814 191022527 /nfs/dbraw/zinc/02/25/27/191022527.db2.gz LSGJEPONBIZABF-UHFFFAOYSA-N -1 0 310.335 0.652 50 0 DCAARM CC(=O)c1c(C)nn(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000072458779 191172262 /nfs/dbraw/zinc/17/22/62/191172262.db2.gz VYEDGSQVRLCTEJ-NSHDSACASA-N -1 0 309.322 0.015 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000174249312 198309709 /nfs/dbraw/zinc/30/97/09/198309709.db2.gz KTOQJDUMTPKLHU-ZFWWWQNUSA-N -1 0 309.387 0.983 50 0 DCAARM C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000003374948 181012654 /nfs/dbraw/zinc/01/26/54/181012654.db2.gz JBVUPFJZEUPOOC-QMMMGPOBSA-N -1 0 301.320 0.599 50 0 DCAARM C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000003426343 181018066 /nfs/dbraw/zinc/01/80/66/181018066.db2.gz AMMYKSFYQAISTF-ZANVPECISA-N -1 0 309.343 0.952 50 0 DCAARM CCOC(=O)c1[nH]cnc1SC[C@H](NC(C)=O)C(=O)[O-] ZINC000005799566 181285263 /nfs/dbraw/zinc/28/52/63/181285263.db2.gz TWRSKEDRKXJNNV-ZETCQYMHSA-N -1 0 301.324 0.268 50 0 DCAARM CCn1nc(C)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1Cl ZINC000236965267 202097585 /nfs/dbraw/zinc/09/75/85/202097585.db2.gz GCBLGLFWASFKGA-MRVPVSSYSA-N -1 0 301.730 0.790 50 0 DCAARM CCn1ncc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C(F)(F)F ZINC000236978438 202105290 /nfs/dbraw/zinc/10/52/90/202105290.db2.gz PELZNODVCITXEN-MRVPVSSYSA-N -1 0 321.255 0.847 50 0 DCAARM O=c1cc(Cc2n[n-]c(=S)n2-c2ccccc2)[nH]c(=O)[nH]1 ZINC000005905979 181295225 /nfs/dbraw/zinc/29/52/25/181295225.db2.gz NFDNPXXLRTVBRW-UHFFFAOYSA-N -1 0 301.331 0.897 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(=O)N2C)c1 ZINC000241277685 202462224 /nfs/dbraw/zinc/46/22/24/202462224.db2.gz LIFXXFDSVVYMPL-NSHDSACASA-N -1 0 310.375 0.729 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000268943633 238255058 /nfs/dbraw/zinc/25/50/58/238255058.db2.gz MWFGUQYOBARXOR-AXFHLTTASA-N -1 0 321.333 0.193 50 0 DCAARM CC1=C(C)C[C@H](C(=O)NCCN2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000006698527 181372091 /nfs/dbraw/zinc/37/20/91/181372091.db2.gz CQKVHURRTXXQKG-UONOGXRCSA-N -1 0 310.394 0.882 50 0 DCAARM COCCN(C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000091486588 193063150 /nfs/dbraw/zinc/06/31/50/193063150.db2.gz IACVUCBKPPYITB-CHWSQXEVSA-N -1 0 321.377 0.286 50 0 DCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cc[nH]n1)CC2 ZINC000091635537 193082855 /nfs/dbraw/zinc/08/28/55/193082855.db2.gz UXCJFPSPQNGGBI-LBPRGKRZSA-N -1 0 320.349 0.338 50 0 DCAARM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094554575 193379632 /nfs/dbraw/zinc/37/96/32/193379632.db2.gz QVWPNMUSXLZVOS-SECBINFHSA-N -1 0 316.335 0.018 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O ZINC000008519817 181561954 /nfs/dbraw/zinc/56/19/54/181561954.db2.gz GHCJCSDJSUYLHP-ZDUSSCGKSA-N -1 0 315.329 0.862 50 0 DCAARM COC(=O)c1n[n-]c(C(=O)OC)c1I ZINC000008729989 181580494 /nfs/dbraw/zinc/58/04/94/181580494.db2.gz DZTBXBZXHKXCOV-UHFFFAOYSA-N -1 0 310.047 0.588 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000269000347 304199630 /nfs/dbraw/zinc/19/96/30/304199630.db2.gz YOMRAIJIOMMHAG-SECBINFHSA-N -1 0 321.289 0.574 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000268963865 304200158 /nfs/dbraw/zinc/20/01/58/304200158.db2.gz BPNLZDCXXBRDQM-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM O=C([O-])Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)CCC2 ZINC000041105033 183165775 /nfs/dbraw/zinc/16/57/75/183165775.db2.gz QGRAFUFZXRXQRM-UHFFFAOYSA-N -1 0 300.314 0.632 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Br)cn2)CCO1 ZINC000061860669 184190202 /nfs/dbraw/zinc/19/02/02/184190202.db2.gz JHPCVZFMKPWJQJ-VIFPVBQESA-N -1 0 315.123 0.770 50 0 DCAARM CCc1nc(=NC2CCN([C@H]3CCN(C)C3=O)CC2)s[n-]1 ZINC000521398547 257234568 /nfs/dbraw/zinc/23/45/68/257234568.db2.gz NCXIUUJBDGNSOE-NSHDSACASA-N -1 0 309.439 0.629 50 0 DCAARM Cn1cnc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)c1 ZINC000426551906 257246769 /nfs/dbraw/zinc/24/67/69/257246769.db2.gz AUWMRQNKGVTPAL-NSHDSACASA-N -1 0 317.349 0.721 50 0 DCAARM CCNC(=O)[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000012532596 395687767 /nfs/dbraw/zinc/68/77/67/395687767.db2.gz KYLQCGNNBMBLCQ-VIFPVBQESA-N -1 0 313.379 0.313 50 0 DCAARM Cc1ccc([C@@H](CNC(=O)Nc2nnn[n-]2)N2CCOCC2)o1 ZINC000023213918 395692271 /nfs/dbraw/zinc/69/22/71/395692271.db2.gz JXTPYAOTVSYTFM-SNVBAGLBSA-N -1 0 321.341 0.296 50 0 DCAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000000031351 395679658 /nfs/dbraw/zinc/67/96/58/395679658.db2.gz MLBDVSSNNTVKSP-GFCCVEGCSA-N -1 0 312.347 0.883 50 0 biogenic,in-vitro DCAARM C[S@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000002875373 395682082 /nfs/dbraw/zinc/68/20/82/395682082.db2.gz OHBLCPSPVBXNBB-XTZNXHDOSA-N -1 0 305.377 0.187 50 0 DCAARM COCC[C@@]1(CO)CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000091382068 395724813 /nfs/dbraw/zinc/72/48/13/395724813.db2.gz WGRKZPHVHVTIIJ-HNNXBMFYSA-N -1 0 312.366 0.950 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000036700681 395724329 /nfs/dbraw/zinc/72/43/29/395724329.db2.gz OMJCIVDUBMXYJU-HNNXBMFYSA-N -1 0 305.334 0.830 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000035126640 395719069 /nfs/dbraw/zinc/71/90/69/395719069.db2.gz HBRCAEUJZCSVER-UHFFFAOYSA-N -1 0 320.317 0.356 50 0 DCAARM Cn1cc(S(=O)(=O)NCCCCCC(=O)[O-])cc1C(N)=O ZINC000037418416 395727009 /nfs/dbraw/zinc/72/70/09/395727009.db2.gz FPZOXOQMAIPNJT-UHFFFAOYSA-N -1 0 317.367 0.047 50 0 DCAARM C[C@@H](O)CNc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096149929 395746179 /nfs/dbraw/zinc/74/61/79/395746179.db2.gz FGCWMWXGPCASKJ-SNVBAGLBSA-N -1 0 324.381 0.468 50 0 DCAARM O=C([O-])CCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@@H](O)C1 ZINC000097468106 395758198 /nfs/dbraw/zinc/75/81/98/395758198.db2.gz CBIYMJHANIAOPJ-CQSZACIVSA-N -1 0 324.352 0.696 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2 ZINC000100061345 395762487 /nfs/dbraw/zinc/76/24/87/395762487.db2.gz IUVQLEITIGXDTB-UWVGGRQHSA-N -1 0 305.265 0.206 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100061352 395762631 /nfs/dbraw/zinc/76/26/31/395762631.db2.gz SHYZHEQLCKMYAP-ZJUUUORDSA-N -1 0 321.720 0.639 50 0 DCAARM C[C@H](O)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000100811519 395763654 /nfs/dbraw/zinc/76/36/54/395763654.db2.gz ONSJKBWEYSPLAL-NHCYSSNCSA-N -1 0 324.333 0.252 50 0 DCAARM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000111472641 395809020 /nfs/dbraw/zinc/80/90/20/395809020.db2.gz BQICIBVXOIQTKT-OUAUKWLOSA-N -1 0 303.380 0.523 50 0 DCAARM O=C(Cc1ccc2c(c1)OCO2)NC1(C(=O)[O-])CCOCC1 ZINC000220618613 395849635 /nfs/dbraw/zinc/84/96/35/395849635.db2.gz HPALTUBEHKGUSG-UHFFFAOYSA-N -1 0 307.302 0.708 50 0 DCAARM Nc1ccsc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000222235366 395851821 /nfs/dbraw/zinc/85/18/21/395851821.db2.gz WEENBQXPSMOUPC-RKDXNWHRSA-N -1 0 300.336 0.319 50 0 DCAARM Cn1nnc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000127690808 395916203 /nfs/dbraw/zinc/91/62/03/395916203.db2.gz ZHQJLVAFJOWKFM-UHFFFAOYSA-N -1 0 318.156 0.773 50 0 DCAARM CCOc1ccccc1S(=O)(=O)[N-]C(=O)CCn1ccnn1 ZINC000225788834 395863715 /nfs/dbraw/zinc/86/37/15/395863715.db2.gz YZITVXGBBMHKFS-UHFFFAOYSA-N -1 0 324.362 0.572 50 0 DCAARM CCn1nc(C)c(CN2CCN(CC(=O)[O-])C(=O)[C@@H]2C)c1C ZINC000252499382 396021973 /nfs/dbraw/zinc/02/19/73/396021973.db2.gz RZTLSCLIINDYMX-LBPRGKRZSA-N -1 0 308.382 0.637 50 0 DCAARM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCOCC1)c1ccccc1F ZINC000072310658 396130580 /nfs/dbraw/zinc/13/05/80/396130580.db2.gz CEHPIIUIRFZUJH-SNVBAGLBSA-N -1 0 316.354 0.622 50 0 DCAARM COc1ccnc(CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1OC ZINC000289470052 396460980 /nfs/dbraw/zinc/46/09/80/396460980.db2.gz QVHDZSSBRHSWIM-JTQLQIEISA-N -1 0 319.365 0.890 50 0 DCAARM O=C1CC[C@@H](NS(=O)(=O)[N-]CC(F)(F)F)C2(CCC2)N1 ZINC000374653100 396678775 /nfs/dbraw/zinc/67/87/75/396678775.db2.gz MJECFURYAMNMBG-SSDOTTSWSA-N -1 0 315.317 0.174 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)CCO1 ZINC000314797356 396786018 /nfs/dbraw/zinc/78/60/18/396786018.db2.gz DCHLLBKNRPTIHC-CYBMUJFWSA-N -1 0 303.270 0.719 50 0 DCAARM C[C@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)[C@H]1C(=O)[O-] ZINC000263089614 158856491 /nfs/dbraw/zinc/85/64/91/158856491.db2.gz UCAPWMAGYDLVRU-IINYFYTJSA-N -1 0 320.345 0.876 50 0 DCAARM COc1nc(N)nc(N)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000339412 415126061 /nfs/dbraw/zinc/12/60/61/415126061.db2.gz XVRZEMUICFTCFV-UHFFFAOYSA-N -1 0 309.351 0.759 50 0 DCAARM O=C([O-])Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000008595582 415143928 /nfs/dbraw/zinc/14/39/28/415143928.db2.gz CDOQJNJHONPZQT-UHFFFAOYSA-N -1 0 314.345 0.655 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000299748223 416063928 /nfs/dbraw/zinc/06/39/28/416063928.db2.gz GMNNQWRLEYJHNO-DGCLKSJQSA-N -1 0 318.329 0.449 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 ZINC000238076725 416329749 /nfs/dbraw/zinc/32/97/49/416329749.db2.gz MRAHERLHNFQERU-JTQLQIEISA-N -1 0 301.306 0.599 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000238071117 416329794 /nfs/dbraw/zinc/32/97/94/416329794.db2.gz DYWYZBIDGIZNOF-NSHDSACASA-N -1 0 301.306 0.416 50 0 DCAARM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H]1COCCO1 ZINC000243914739 416330329 /nfs/dbraw/zinc/33/03/29/416330329.db2.gz BKENJQREXFQZJN-CYBMUJFWSA-N -1 0 308.334 0.671 50 0 DCAARM COc1ccccc1OCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000583650611 416479679 /nfs/dbraw/zinc/47/96/79/416479679.db2.gz QDRWOMLEUYGDLW-CYBMUJFWSA-N -1 0 309.318 0.776 50 0 DCAARM Cc1sc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000583652269 416481848 /nfs/dbraw/zinc/48/18/48/416481848.db2.gz ACQOTCBJJLLHCE-SSDOTTSWSA-N -1 0 318.376 0.251 50 0 DCAARM COc1cc(OC)nc(-n2[n-]c(=O)c3ccccc3c2=O)n1 ZINC000008715025 295013208 /nfs/dbraw/zinc/01/32/08/295013208.db2.gz QUBBYPMNLPVJEO-UHFFFAOYSA-N -1 0 300.274 0.899 50 0 DCAARM Cc1ccc2ncc(C(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)n2c1 ZINC000237906915 301928639 /nfs/dbraw/zinc/92/86/39/301928639.db2.gz NMUTXTKHDLGJIC-LLVKDONJSA-N -1 0 301.302 0.692 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000268966126 534539121 /nfs/dbraw/zinc/53/91/21/534539121.db2.gz CQUXTHGOQBTWGT-LLVKDONJSA-N -1 0 303.274 0.662 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000299749603 534539321 /nfs/dbraw/zinc/53/93/21/534539321.db2.gz KYYQLGJZJXVGKM-LLVKDONJSA-N -1 0 307.302 0.312 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000248846384 526290708 /nfs/dbraw/zinc/29/07/08/526290708.db2.gz AQKCDBNEHREWCE-VAOFZXAKSA-N -1 0 324.283 0.907 50 0 DCAARM CCCc1ncncc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000222325047 545941207 /nfs/dbraw/zinc/94/12/07/545941207.db2.gz OUUQBKQWTGUQKA-CHWSQXEVSA-N -1 0 323.349 0.418 50 0 DCAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262809702 545986061 /nfs/dbraw/zinc/98/60/61/545986061.db2.gz QDKHQKSCFNMBSI-AWEZNQCLSA-N -1 0 304.281 0.906 50 0 DCAARM Cn1cc(S(=O)(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)cn1 ZINC000670464159 547099441 /nfs/dbraw/zinc/09/94/41/547099441.db2.gz SHBFHUXXSZDSEB-JTQLQIEISA-N -1 0 323.378 0.484 50 0 DCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)C2CC(C)C2)CCO1 ZINC000681942863 548330451 /nfs/dbraw/zinc/33/04/51/548330451.db2.gz FWWJEMYDJWAKFU-GDKBPFBDSA-N -1 0 312.366 0.193 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)CCO1 ZINC000262071585 602352355 /nfs/dbraw/zinc/35/23/55/602352355.db2.gz IVUZJQCJZNGGTR-ZDUSSCGKSA-N -1 0 316.317 0.257 50 0 DCAARM C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])c1nncn1C ZINC000037040046 670220179 /nfs/dbraw/zinc/22/01/79/670220179.db2.gz UQNXKBSJAVJWGG-LURJTMIESA-N -1 0 316.364 0.614 50 0 DCAARM CC(C)c1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])nc(N)n1 ZINC000952991202 685602606 /nfs/dbraw/zinc/60/26/06/685602606.db2.gz PZRPAUBYUCQHRC-NSHDSACASA-N -1 0 318.337 0.331 50 0 DCAARM O=C([O-])c1cncc(N2CCC[C@@H](CNC(=O)C3CC3)C2)n1 ZINC000952978779 685601225 /nfs/dbraw/zinc/60/12/25/685601225.db2.gz FHVNNUOEMLOECB-JTQLQIEISA-N -1 0 304.350 0.917 50 0 DCAARM CCN(CC)S(=O)(=O)N=C([O-])Nc1nc(C)cc(C)n1 ZINC000000186258 685047520 /nfs/dbraw/zinc/04/75/20/685047520.db2.gz HSOOJUFCMJNYHO-UHFFFAOYSA-N -1 0 301.372 0.802 50 0 DCAARM COc1ccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)cc1O ZINC001704312435 1179970199 /nfs/dbraw/zinc/97/01/99/1179970199.db2.gz RVETWJJHDAGEQG-GASCZTMLSA-N -1 0 307.302 0.762 50 0 DCAARM CSC[C@H](NC(=O)CCN1CCCCCC1=O)C(=O)[O-] ZINC001506417065 1017262534 /nfs/dbraw/zinc/26/25/34/1017262534.db2.gz GERPTORWQAZSFI-JTQLQIEISA-N -1 0 302.396 0.712 50 0 DCAARM NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000225587157 186280561 /nfs/dbraw/zinc/28/05/61/186280561.db2.gz GHUVTELTVUTTNA-QWRGUYRKSA-N -1 0 312.347 0.317 50 0 DCAARM C[C@H](C(=O)NCC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000237442643 186289858 /nfs/dbraw/zinc/28/98/58/186289858.db2.gz QQYMAJNUUWVTIC-LLVKDONJSA-N -1 0 309.341 0.537 50 0 DCAARM C[C@](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)(C(=O)[O-])C1CC1 ZINC000237448325 186290447 /nfs/dbraw/zinc/29/04/47/186290447.db2.gz NPYYETXJWDKVHJ-MGPLVRAMSA-N -1 0 320.345 0.998 50 0 DCAARM COC(=O)c1cn(-c2cncc(C(=O)[O-])c2)cc2c(=O)[nH]nc1-2 ZINC000253414345 186310614 /nfs/dbraw/zinc/31/06/14/186310614.db2.gz XEYHDOLXFNDYCK-UHFFFAOYSA-N -1 0 314.257 0.545 50 0 DCAARM CCOC(=O)[C@H](NC(=O)CCC(=O)[O-])[C@@H](O)c1ccccc1 ZINC000002132332 180911309 /nfs/dbraw/zinc/91/13/09/180911309.db2.gz IKWCZVUSNAJTRC-KGLIPLIRSA-N -1 0 309.318 0.633 50 0 biogenic DCAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000072457870 304035130 /nfs/dbraw/zinc/03/51/30/304035130.db2.gz VSZKVPDDVOTQIW-LBPRGKRZSA-N -1 0 307.350 0.855 50 0 DCAARM CCOC(=O)c1cnc(-n2[n-]c(C(F)(F)F)cc2=O)[nH]c1=O ZINC000004025182 181063315 /nfs/dbraw/zinc/06/33/15/181063315.db2.gz QJEGIXGMTSFODU-UHFFFAOYSA-N -1 0 318.211 0.444 50 0 DCAARM COCc1cccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000237226449 202194878 /nfs/dbraw/zinc/19/48/78/202194878.db2.gz DEZYSBTWZXFTBU-CQSZACIVSA-N -1 0 306.362 0.998 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 ZINC000268937767 238254976 /nfs/dbraw/zinc/25/49/76/238254976.db2.gz CVGNMCJWHJNFNU-OLZOCXBDSA-N -1 0 305.330 0.940 50 0 DCAARM CC1=C(C)C[C@@H](C(=O)NCCN2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000006698525 181372026 /nfs/dbraw/zinc/37/20/26/181372026.db2.gz CQKVHURRTXXQKG-ZIAGYGMSSA-N -1 0 310.394 0.882 50 0 DCAARM COCCNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000006764546 181385196 /nfs/dbraw/zinc/38/51/96/181385196.db2.gz UFATXWLBAMKGHW-UHFFFAOYSA-N -1 0 312.347 0.636 50 0 DCAARM CC1(C)C[C@@H](c2cn(CCn3[n-]c(=O)ccc3=O)nn2)CCO1 ZINC000091547958 193071185 /nfs/dbraw/zinc/07/11/85/193071185.db2.gz HKLWUPYDLBLJOU-NSHDSACASA-N -1 0 319.365 0.913 50 0 DCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(c1cc(C3CC3)ncn1)CC2 ZINC000092045760 193147670 /nfs/dbraw/zinc/14/76/70/193147670.db2.gz YGYPIPZAMJCCEV-LLVKDONJSA-N -1 0 316.361 0.914 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000262455765 304131460 /nfs/dbraw/zinc/13/14/60/304131460.db2.gz XCHGAALUHSVQIJ-JQWIXIFHSA-N -1 0 322.292 0.564 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000269001383 304134385 /nfs/dbraw/zinc/13/43/85/304134385.db2.gz YOMRAIJIOMMHAG-VIFPVBQESA-N -1 0 321.289 0.574 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Br)cn1 ZINC000088374479 304135784 /nfs/dbraw/zinc/13/57/84/304135784.db2.gz PLXSKTHRVMYACY-VIFPVBQESA-N -1 0 315.123 0.770 50 0 DCAARM CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000020557821 182231308 /nfs/dbraw/zinc/23/13/08/182231308.db2.gz NQBRKHHSCUAJBE-LLVKDONJSA-N -1 0 315.347 0.801 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000262198008 304184894 /nfs/dbraw/zinc/18/48/94/304184894.db2.gz ZQHQKXLFSQDPFG-SNVBAGLBSA-N -1 0 323.349 0.317 50 0 DCAARM CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000036611025 182828113 /nfs/dbraw/zinc/82/81/13/182828113.db2.gz VMTXQRYHOLQDEX-RKDXNWHRSA-N -1 0 308.338 0.831 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000262436403 304199849 /nfs/dbraw/zinc/19/98/49/304199849.db2.gz FNDGTKCEQYLVFZ-CYBMUJFWSA-N -1 0 316.313 0.314 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000088374318 304200000 /nfs/dbraw/zinc/20/00/00/304200000.db2.gz KBLISVJNDNDDAU-PWSUYJOCSA-N -1 0 311.721 0.956 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000299745486 304200060 /nfs/dbraw/zinc/20/00/60/304200060.db2.gz ZMUSAFBWUBPFCF-CMPLNLGQSA-N -1 0 310.350 0.090 50 0 DCAARM O=C([O-])[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccccc1Cl ZINC000065498061 304202813 /nfs/dbraw/zinc/20/28/13/304202813.db2.gz YESUQVCNPWYZLA-WCBMZHEXSA-N -1 0 319.766 0.939 50 0 DCAARM C[C@@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000105397771 194101764 /nfs/dbraw/zinc/10/17/64/194101764.db2.gz ONSJKBWEYSPLAL-HOSYDEDBSA-N -1 0 324.333 0.252 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1C(N)=O ZINC000062132650 184207841 /nfs/dbraw/zinc/20/78/41/184207841.db2.gz PGKQEISEQGOCBJ-VIFPVBQESA-N -1 0 312.347 0.189 50 0 DCAARM Cc1cc(N2C[C@H](C(=O)[O-])CC2=O)ccc1NS(C)(=O)=O ZINC000065463157 184349447 /nfs/dbraw/zinc/34/94/47/184349447.db2.gz HKZSFSZTIJARSM-SECBINFHSA-N -1 0 312.347 0.804 50 0 DCAARM O=C([O-])c1cccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004124032 304263729 /nfs/dbraw/zinc/26/37/29/304263729.db2.gz BJGHXGCBWSTMNK-SNVBAGLBSA-N -1 0 314.388 0.858 50 0 DCAARM O=C([O-])c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000011755824 304265482 /nfs/dbraw/zinc/26/54/82/304265482.db2.gz XWOSWGHVFUMWOU-JTQLQIEISA-N -1 0 304.345 0.346 50 0 DCAARM Cc1nccn1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000426690292 257244271 /nfs/dbraw/zinc/24/42/71/257244271.db2.gz MIICDKIKAQITCY-ZDUSSCGKSA-N -1 0 303.318 0.709 50 0 DCAARM CS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000299742245 533441333 /nfs/dbraw/zinc/44/13/33/533441333.db2.gz AVJWRDQELZKCEY-NEPJUHHUSA-N -1 0 311.359 0.470 50 0 DCAARM CC[C@](C)(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000263295560 288397561 /nfs/dbraw/zinc/39/75/61/288397561.db2.gz SISSINDJXRVPNY-SKDRFNHKSA-N -1 0 303.380 0.571 50 0 DCAARM CC[C@@H](C)NC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000009690290 395685418 /nfs/dbraw/zinc/68/54/18/395685418.db2.gz OXFWXQQSXSQBHW-SECBINFHSA-N -1 0 311.363 0.250 50 0 DCAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000011691475 395686796 /nfs/dbraw/zinc/68/67/96/395686796.db2.gz IZEAOCKBKFHULV-JTQLQIEISA-N -1 0 311.319 0.094 50 0 DCAARM CCC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000011867193 395687009 /nfs/dbraw/zinc/68/70/09/395687009.db2.gz MQPDOBWHEPPDPH-GFCCVEGCSA-N -1 0 318.333 0.551 50 0 DCAARM CC(=O)Nc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1 ZINC000012927919 395688208 /nfs/dbraw/zinc/68/82/08/395688208.db2.gz UDEYEPMYUTWMHZ-UHFFFAOYSA-N -1 0 316.317 0.524 50 0 DCAARM COc1ccc(-c2[nH]c3c(c2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000000510448 395680410 /nfs/dbraw/zinc/68/04/10/395680410.db2.gz PDEKQYCKMHTARW-UHFFFAOYSA-N -1 0 301.302 0.947 50 0 DCAARM O=C([O-])CNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000001871280 395681291 /nfs/dbraw/zinc/68/12/91/395681291.db2.gz MTADDOKKSUPSCN-POHAHGRESA-N -1 0 320.326 0.924 50 0 DCAARM CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000002641073 395681630 /nfs/dbraw/zinc/68/16/30/395681630.db2.gz AERAMFZBFSAFDP-VIFPVBQESA-N -1 0 314.388 0.931 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100057853 395762588 /nfs/dbraw/zinc/76/25/88/395762588.db2.gz YMHQMPQRXPUJBL-VHSXEESVSA-N -1 0 321.720 0.720 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100544174 395763206 /nfs/dbraw/zinc/76/32/06/395763206.db2.gz LPBXLYYIGKHSND-WDEREUQCSA-N -1 0 317.301 0.076 50 0 DCAARM C[C@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000100811515 395763716 /nfs/dbraw/zinc/76/37/16/395763716.db2.gz ONSJKBWEYSPLAL-JBLDHEPKSA-N -1 0 324.333 0.252 50 0 DCAARM CCc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100857529 395763854 /nfs/dbraw/zinc/76/38/54/395763854.db2.gz NCEUTQXYMUSLCC-MNOVXSKESA-N -1 0 301.302 0.239 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000101019900 395763965 /nfs/dbraw/zinc/76/39/65/395763965.db2.gz UZPWBSVAGQUZSZ-MWLCHTKSSA-N -1 0 316.273 0.379 50 0 DCAARM CC(C)CN1CCN(Cc2cc(=O)n3nc[n-]c3n2)[C@H](C)C1=O ZINC000101850438 395767744 /nfs/dbraw/zinc/76/77/44/395767744.db2.gz HVUNEHHUBLUPGR-LLVKDONJSA-N -1 0 318.381 0.106 50 0 DCAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCCN1CCOCC1 ZINC000064980664 395989320 /nfs/dbraw/zinc/98/93/20/395989320.db2.gz SVMCZALRJIQWBX-UHFFFAOYSA-N -1 0 323.393 0.506 50 0 DCAARM O=C(CC1OCCCO1)[N-]S(=O)(=O)c1ccccc1F ZINC000170619558 396095833 /nfs/dbraw/zinc/09/58/33/396095833.db2.gz YXEMLXGXHFWHMD-UHFFFAOYSA-N -1 0 303.311 0.784 50 0 DCAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1CCCOC1 ZINC000262109882 396099532 /nfs/dbraw/zinc/09/95/32/396099532.db2.gz ODFOBBJBNCRJNO-LBPRGKRZSA-N -1 0 312.366 0.195 50 0 DCAARM COc1cncc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000262208266 396110582 /nfs/dbraw/zinc/11/05/82/396110582.db2.gz JGQLFRXHBMXYID-NSHDSACASA-N -1 0 300.336 0.718 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000262366875 396131202 /nfs/dbraw/zinc/13/12/02/396131202.db2.gz FLBXIFOPRXFGKA-UHFFFAOYSA-N -1 0 320.345 0.769 50 0 DCAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-n2cncn2)nc1)C1CC1 ZINC000262814388 396184887 /nfs/dbraw/zinc/18/48/87/396184887.db2.gz UROMGVJCCIBORW-VIFPVBQESA-N -1 0 301.306 0.740 50 0 DCAARM COc1ccccc1OCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268968946 396379465 /nfs/dbraw/zinc/37/94/65/396379465.db2.gz FTESZDXSDPTZMJ-LLVKDONJSA-N -1 0 309.318 0.776 50 0 DCAARM CO[C@H](CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])[C@H]1CCOC1 ZINC000630445886 397023841 /nfs/dbraw/zinc/02/38/41/397023841.db2.gz IEGMYTDHSOWNGP-LOWVWBTDSA-N -1 0 321.395 0.307 50 0 DCAARM O=C([O-])[C@H]1CC[C@H](C(=O)NCCCn2cccn2)N1C1CC1 ZINC000630657873 397072325 /nfs/dbraw/zinc/07/23/25/397072325.db2.gz WINYRIUTFMFYHE-CHWSQXEVSA-N -1 0 306.366 0.469 50 0 DCAARM Cc1nc(=NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)s[n-]1 ZINC000578090446 397389844 /nfs/dbraw/zinc/38/98/44/397389844.db2.gz LGKXUDJOJUFQDH-NXEZZACHSA-N -1 0 304.441 0.788 50 0 DCAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262083163 158771745 /nfs/dbraw/zinc/77/17/45/158771745.db2.gz DUSPGAKVCKTIDT-AWEZNQCLSA-N -1 0 304.281 0.906 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)CN1CCCCCCC1=O ZINC000262207385 158785056 /nfs/dbraw/zinc/78/50/56/158785056.db2.gz IIWMDEREGHZZGE-GFCCVEGCSA-N -1 0 312.366 0.481 50 0 DCAARM CCn1c(=O)c2ccc(C(=O)NC3(CO)CC3)cc2[n-]c1=S ZINC000160383333 416007940 /nfs/dbraw/zinc/00/79/40/416007940.db2.gz PQOLLPLPGHAICA-UHFFFAOYSA-N -1 0 319.386 0.960 50 0 DCAARM CC(C)CN1C[C@@H](C(=O)Nc2cnn(CC(=O)[O-])c2)CC1=O ZINC000315069622 416114102 /nfs/dbraw/zinc/11/41/02/416114102.db2.gz IJKGMVCPUXLJHU-JTQLQIEISA-N -1 0 308.338 0.411 50 0 DCAARM O=C([O-])CCNC(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000238175917 416329793 /nfs/dbraw/zinc/32/97/93/416329793.db2.gz FNCMAIUBOLUSFS-NSHDSACASA-N -1 0 312.272 0.909 50 0 DCAARM C[C@H](NS(C)(=O)=O)c1nnc([N-]c2ccccc2F)o1 ZINC000585134356 416519523 /nfs/dbraw/zinc/51/95/23/416519523.db2.gz PCRLEFGATRGSNH-ZETCQYMHSA-N -1 0 300.315 1.563 50 0 DCAARM NC(=O)c1cc(F)c(F)cc1[N-]S(=O)(=O)N1CCOCC1 ZINC000451089332 417297345 /nfs/dbraw/zinc/29/73/45/417297345.db2.gz RRVZOYOKRFWCJF-UHFFFAOYSA-N -1 0 321.305 0.053 50 0 DCAARM COC[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C1CCOCC1 ZINC000659192557 418069260 /nfs/dbraw/zinc/06/92/60/418069260.db2.gz MWOGXAJDYYDLKQ-ZDUSSCGKSA-N -1 0 308.334 0.951 50 0 DCAARM COc1cc(C)ccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299744906 533686331 /nfs/dbraw/zinc/68/63/31/533686331.db2.gz VJNPGPBXQQWLQR-NSHDSACASA-N -1 0 309.318 0.694 50 0 DCAARM CC(C)[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)[O-] ZINC000262223774 280317472 /nfs/dbraw/zinc/31/74/72/280317472.db2.gz UGPJYFNNCHIJLT-NSHDSACASA-N -1 0 314.363 0.314 50 0 DCAARM Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(C)c1 ZINC000013028351 301196938 /nfs/dbraw/zinc/19/69/38/301196938.db2.gz GPKXJDJMUFBDBV-RYUDHWBXSA-N -1 0 313.375 0.820 50 0 DCAARM O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cc(=O)[n-]o1 ZINC000223688981 303877739 /nfs/dbraw/zinc/87/77/39/303877739.db2.gz OSLIXLITVJDAJC-DGCLKSJQSA-N -1 0 319.317 0.879 50 0 DCAARM O=C([N-][C@@H]1CNC(=O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000008873540 303897395 /nfs/dbraw/zinc/89/73/95/303897395.db2.gz COZZDQJATFYRJY-SSDOTTSWSA-N -1 0 302.208 0.878 50 0 DCAARM COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C[C@@H]2O ZINC000262668774 524920314 /nfs/dbraw/zinc/92/03/14/524920314.db2.gz WRMNERCDWPUNNJ-KKZNHRDASA-N -1 0 321.329 0.800 50 0 DCAARM CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000299748682 528568743 /nfs/dbraw/zinc/56/87/43/528568743.db2.gz HVPOGNPODTUXMG-SMDDNHRTSA-N -1 0 319.361 0.656 50 0 DCAARM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000299747007 528864584 /nfs/dbraw/zinc/86/45/84/528864584.db2.gz BUMAVZGQICTOPD-NSHDSACASA-N -1 0 319.317 0.259 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)NCCC(=O)Nc1ccccc1 ZINC000216031976 545938837 /nfs/dbraw/zinc/93/88/37/545938837.db2.gz DOUYFPDWLHMOIT-UHFFFAOYSA-N -1 0 302.290 0.867 50 0 DCAARM C[C@@H](NC(=O)CN1CCOc2ccccc2C1)c1nc(=O)[nH][nH]1 ZINC000216041883 545939230 /nfs/dbraw/zinc/93/92/30/545939230.db2.gz OSKXUMHVVBEQRK-SNVBAGLBSA-N -1 0 317.349 0.170 50 0 DCAARM CC(C)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N1CCCC1 ZINC000685019165 548673470 /nfs/dbraw/zinc/67/34/70/548673470.db2.gz QKCDFVUJALNOGA-LBPRGKRZSA-N -1 0 320.349 0.552 50 0 DCAARM Cn1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC000084314104 659148886 /nfs/dbraw/zinc/14/88/86/659148886.db2.gz XEJUNJWRVDFZLZ-ONEGZZNKSA-N -1 0 320.326 0.740 50 0 DCAARM CC[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000135467577 685122392 /nfs/dbraw/zinc/12/23/92/685122392.db2.gz CHJZDKQHIQZNDY-VIFPVBQESA-N -1 0 314.363 0.626 50 0 DCAARM Cc1cc(C[C@@H]2CN(C(=O)c3ccncc3[O-])C[C@@H]2O)[nH]n1 ZINC001704302716 1179966203 /nfs/dbraw/zinc/96/62/03/1179966203.db2.gz CGGBQISVZGLEIS-YGRLFVJLSA-N -1 0 302.334 0.494 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc3c2OCCO3)C[C@H]1O ZINC001704357130 1179984913 /nfs/dbraw/zinc/98/49/13/1179984913.db2.gz CERLZOVYRITUSM-GXSJLCMTSA-N -1 0 307.302 0.365 50 0 DCAARM Cc1ccc(C(=O)[O-])cc1CNC(=O)CN1CC(=O)N[C@@H](C)C1 ZINC000825071739 758795610 /nfs/dbraw/zinc/79/56/10/758795610.db2.gz GFCDDDPUBAOVBW-NSHDSACASA-N -1 0 319.361 0.130 50 0 DCAARM O=C([O-])c1cnc(N2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC001529174799 1014513477 /nfs/dbraw/zinc/51/34/77/1014513477.db2.gz YAXFLYSQVJQNPK-UHFFFAOYSA-N -1 0 320.349 0.250 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CCO1 ZINC000328594763 231235274 /nfs/dbraw/zinc/23/52/74/231235274.db2.gz BGNMVLOAYDWQDE-KWEXDPCDSA-N -1 0 319.313 0.783 50 0 DCAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000408513431 529933887 /nfs/dbraw/zinc/93/38/87/529933887.db2.gz CZNWTWKDVWAKOZ-WXJAXGNASA-N -1 0 318.329 0.371 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000071286324 190953204 /nfs/dbraw/zinc/95/32/04/190953204.db2.gz FXVRDISCJQZWOV-UWVGGRQHSA-N -1 0 312.347 0.629 50 0 DCAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CC1 ZINC000262669275 295797394 /nfs/dbraw/zinc/79/73/94/295797394.db2.gz WTIKANINNQXJJR-QMMMGPOBSA-N -1 0 316.313 0.990 50 0 DCAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)N2CCOCC2)CC1 ZINC000072447996 191169912 /nfs/dbraw/zinc/16/99/12/191169912.db2.gz YTGSSCYKQBMHIL-UHFFFAOYSA-N -1 0 322.365 0.519 50 0 DCAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000003289303 181001165 /nfs/dbraw/zinc/00/11/65/181001165.db2.gz XNAAZUFOJHYJSL-UHFFFAOYSA-N -1 0 314.363 0.532 50 0 DCAARM CCN(CC)S(=O)(=O)c1ccc(NCCO)c(C(=O)[O-])c1 ZINC000003888778 181053021 /nfs/dbraw/zinc/05/30/21/181053021.db2.gz PDFYTPYMRMERDE-UHFFFAOYSA-N -1 0 316.379 0.820 50 0 DCAARM Cc1[n-]n(-c2nc(C(F)(F)F)cc(=O)[nH]2)c(=O)c1CCO ZINC000004024787 181063293 /nfs/dbraw/zinc/06/32/93/181063293.db2.gz IHWMEEFCXFIGTM-UHFFFAOYSA-N -1 0 304.228 0.523 50 0 DCAARM NC(=O)CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000004090721 181071787 /nfs/dbraw/zinc/07/17/87/181071787.db2.gz DVJIJAYHBZALOJ-LBPRGKRZSA-N -1 0 303.318 0.545 50 0 endogenous,in-man DCAARM Cc1c(O)ccc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000004062866 181068873 /nfs/dbraw/zinc/06/88/73/181068873.db2.gz RDUDGDSHBWLLTB-UHFFFAOYSA-N -1 0 305.286 0.859 50 0 biogenic DCAARM Cn1cc(S(=O)(=O)[N-]c2cccc(F)c2)c(=O)n(C)c1=O ZINC000004337573 181099206 /nfs/dbraw/zinc/09/92/06/181099206.db2.gz KTNQUDLDGIDHRR-UHFFFAOYSA-N -1 0 313.310 0.024 50 0 DCAARM CC(C)n1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000004730671 181143713 /nfs/dbraw/zinc/14/37/13/181143713.db2.gz CWXAAIAZPMDPCY-UHFFFAOYSA-N -1 0 312.351 0.571 50 0 DCAARM CC(C)[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236813799 202021642 /nfs/dbraw/zinc/02/16/42/202021642.db2.gz CFQDZKMVXZMKFG-CYBMUJFWSA-N -1 0 306.366 0.918 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1 ZINC000268937769 304084077 /nfs/dbraw/zinc/08/40/77/304084077.db2.gz CVGNMCJWHJNFNU-STQMWFEESA-N -1 0 305.330 0.940 50 0 DCAARM NC(=O)[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000262678763 238178706 /nfs/dbraw/zinc/17/87/06/238178706.db2.gz ZFFOWLCZLYYVCA-LBPRGKRZSA-N -1 0 306.318 0.030 50 0 DCAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262753516 238179328 /nfs/dbraw/zinc/17/93/28/238179328.db2.gz KSZKMBITORMJDL-RWMBFGLXSA-N -1 0 315.366 0.663 50 0 DCAARM O=C([O-])c1c(NC(=O)N(CCO)CCO)sc2c1CCC2 ZINC000006661421 181367555 /nfs/dbraw/zinc/36/75/55/181367555.db2.gz FSQZACNGWUQRIK-UHFFFAOYSA-N -1 0 314.363 0.754 50 0 DCAARM CC1=C(C)C[C@H](C(=O)NCCN2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC000006698526 181372297 /nfs/dbraw/zinc/37/22/97/181372297.db2.gz CQKVHURRTXXQKG-KBPBESRZSA-N -1 0 310.394 0.882 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000262455766 304130801 /nfs/dbraw/zinc/13/08/01/304130801.db2.gz XCHGAALUHSVQIJ-PWSUYJOCSA-N -1 0 322.292 0.564 50 0 DCAARM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC2)C1=O ZINC000253430144 202886256 /nfs/dbraw/zinc/88/62/56/202886256.db2.gz XJIWBNFYUBLLIF-OLZOCXBDSA-N -1 0 302.330 0.939 50 0 DCAARM COc1ccc(CN2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1OC ZINC000096222534 193589100 /nfs/dbraw/zinc/58/91/00/193589100.db2.gz GZWTUPGHDHOLEC-VIFPVBQESA-N -1 0 308.290 0.599 50 0 biogenic DCAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)cc1 ZINC000019313553 182114576 /nfs/dbraw/zinc/11/45/76/182114576.db2.gz NQMZVOLOIJXGIX-GFCCVEGCSA-N -1 0 304.302 0.349 50 0 DCAARM CCCn1nc(C(=O)[N-]S(C)(=O)=O)c2ccccc2c1=O ZINC000040543794 183099274 /nfs/dbraw/zinc/09/92/74/183099274.db2.gz AMEOWVHJWFMJIZ-UHFFFAOYSA-N -1 0 309.347 0.496 50 0 DCAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1noc2c1CCCC2 ZINC000157853910 197220527 /nfs/dbraw/zinc/22/05/27/197220527.db2.gz BSJTZORYFDNKEG-VIFPVBQESA-N -1 0 314.363 0.650 50 0 DCAARM C[C@@H](NC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O)C1CC1 ZINC000061325429 184168507 /nfs/dbraw/zinc/16/85/07/184168507.db2.gz ZCCHREMIDOIKSL-SECBINFHSA-N -1 0 323.374 0.250 50 0 DCAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCNC3=S)C2=O)cc1 ZINC000004748293 304246230 /nfs/dbraw/zinc/24/62/30/304246230.db2.gz YDUXKIUZTYZBCZ-SNVBAGLBSA-N -1 0 319.342 0.207 50 0 DCAARM O=C([O-])C1(NC(=O)N[C@H](CO)Cc2ccccc2)CCOCC1 ZINC000426541579 257247225 /nfs/dbraw/zinc/24/72/25/257247225.db2.gz STBFOIBLTYOVLK-ZDUSSCGKSA-N -1 0 322.361 0.523 50 0 DCAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2COCC[C@H]2OC)c1 ZINC000426420542 257251933 /nfs/dbraw/zinc/25/19/33/257251933.db2.gz HKDXTTYHNAXFNO-CHWSQXEVSA-N -1 0 309.318 0.927 50 0 DCAARM Cc1nnnn1[C@H](C(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000426371987 257253032 /nfs/dbraw/zinc/25/30/32/257253032.db2.gz HMYZLXOFXFJGCD-LBPRGKRZSA-N -1 0 315.333 0.694 50 0 DCAARM COCCNc1nnc(Cc2ccc(OC)c(OC)c2)c(=O)[n-]1 ZINC000013113946 395688485 /nfs/dbraw/zinc/68/84/85/395688485.db2.gz MMFMXRCBKAJURR-UHFFFAOYSA-N -1 0 320.349 0.831 50 0 DCAARM CC[C@H](C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000013540151 395688721 /nfs/dbraw/zinc/68/87/21/395688721.db2.gz OUONDYVBQZANCF-ZANVPECISA-N -1 0 318.333 0.407 50 0 DCAARM CCn1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036611035 395723939 /nfs/dbraw/zinc/72/39/39/395723939.db2.gz ZFIUTISUNPNCGM-IUCAKERBSA-N -1 0 308.338 0.831 50 0 DCAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1 ZINC000033074050 395715866 /nfs/dbraw/zinc/71/58/66/395715866.db2.gz ZMEXZSSBVXTJOP-UHFFFAOYSA-N -1 0 307.335 0.818 50 0 DCAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000096103682 395744472 /nfs/dbraw/zinc/74/44/72/395744472.db2.gz IALSAAHOQKSWQC-UHFFFAOYSA-N -1 0 306.347 0.507 50 0 DCAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1-c1cc2ncccn2n1 ZINC000097570905 395758732 /nfs/dbraw/zinc/75/87/32/395758732.db2.gz FYZJSNHJULOIHZ-VIFPVBQESA-N -1 0 314.305 0.576 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000100056120 395762604 /nfs/dbraw/zinc/76/26/04/395762604.db2.gz CGPGAUDCVLLLEW-GHMZBOCLSA-N -1 0 301.302 0.294 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2 ZINC000100872152 395763775 /nfs/dbraw/zinc/76/37/75/395763775.db2.gz NCSPAOJVBXCTFA-CHWSQXEVSA-N -1 0 323.308 0.830 50 0 DCAARM Cn1c([O-])c(C2=NN[C@H](c3cccs3)C2)c(=O)n(C)c1=O ZINC000101761720 395767387 /nfs/dbraw/zinc/76/73/87/395767387.db2.gz ZZHCWOMDCCHNSL-ZETCQYMHSA-N -1 0 306.347 0.290 50 0 DCAARM Cc1cccc(NC(=O)CC(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)c1C ZINC000055271373 395915313 /nfs/dbraw/zinc/91/53/13/395915313.db2.gz CYHWNKKWQGEKOA-SNVBAGLBSA-N -1 0 317.349 0.921 50 0 DCAARM CC[C@H](C)N(Cc1cccnc1)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000055358682 395918309 /nfs/dbraw/zinc/91/83/09/395918309.db2.gz GIAPCQRTOWDUIY-LBPRGKRZSA-N -1 0 316.361 0.759 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1 ZINC000238085745 395921082 /nfs/dbraw/zinc/92/10/82/395921082.db2.gz OEYBXEYUGYIIJY-NSHDSACASA-N -1 0 315.329 0.720 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000136122879 395944597 /nfs/dbraw/zinc/94/45/97/395944597.db2.gz QGHBVVQTTPEPNU-SNVBAGLBSA-N -1 0 303.318 0.653 50 0 DCAARM Cc1nc2ncccc2cc1C(=O)N1CCN(C)[C@@H](C(=O)[O-])C1 ZINC000067879410 396037671 /nfs/dbraw/zinc/03/76/71/396037671.db2.gz OIIHIFXNCHYTSC-CYBMUJFWSA-N -1 0 314.345 0.779 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000261747584 396062023 /nfs/dbraw/zinc/06/20/23/396062023.db2.gz ORDZTCRWOIRTAN-AAEUAGOBSA-N -1 0 324.377 0.480 50 0 DCAARM CN(CC(=O)[O-])C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000153138792 396021705 /nfs/dbraw/zinc/02/17/05/396021705.db2.gz OVDIBFNJFPRUBR-CQSZACIVSA-N -1 0 306.362 0.821 50 0 DCAARM Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(N)=O ZINC000069674578 396086942 /nfs/dbraw/zinc/08/69/42/396086942.db2.gz HNLWERMLQIVRLR-UHFFFAOYSA-N -1 0 314.754 0.973 50 0 DCAARM CNC(=O)Cc1csc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071285499 396111653 /nfs/dbraw/zinc/11/16/53/396111653.db2.gz OKXVPTMQZOXUCH-DTWKUNHWSA-N -1 0 311.363 0.727 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@H]1c1ccsc1 ZINC000069393554 396077268 /nfs/dbraw/zinc/07/72/68/396077268.db2.gz YDWGYIAEBRFOAK-NSHDSACASA-N -1 0 305.359 0.962 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)NC[C@H]1CCCc2ccccc21 ZINC000069391499 396077595 /nfs/dbraw/zinc/07/75/95/396077595.db2.gz SXAICJDAVGSIOS-CYBMUJFWSA-N -1 0 313.357 0.773 50 0 DCAARM O=C([O-])CCN1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000069485326 396080109 /nfs/dbraw/zinc/08/01/09/396080109.db2.gz JXSNNQPHZXFBRS-UHFFFAOYSA-N -1 0 302.334 0.795 50 0 DCAARM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000262730685 396176549 /nfs/dbraw/zinc/17/65/49/396176549.db2.gz BUMAVZGQICTOPD-LLVKDONJSA-N -1 0 319.317 0.259 50 0 DCAARM COc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)nn1 ZINC000262854792 396187850 /nfs/dbraw/zinc/18/78/50/396187850.db2.gz XUFLOHZZJISCJY-UHFFFAOYSA-N -1 0 305.294 0.754 50 0 DCAARM C[C@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC000263089611 396201205 /nfs/dbraw/zinc/20/12/05/396201205.db2.gz UCAPWMAGYDLVRU-HZMBPMFUSA-N -1 0 320.345 0.876 50 0 DCAARM CC(C)c1nc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cn1C ZINC000263176731 396204479 /nfs/dbraw/zinc/20/44/79/396204479.db2.gz STZGZHRMGZUNEI-NXEZZACHSA-N -1 0 315.395 0.885 50 0 DCAARM COc1cccc(C[C@H](NC(=O)[C@H]2COCCO2)C(=O)[O-])c1 ZINC000630240998 396968890 /nfs/dbraw/zinc/96/88/90/396968890.db2.gz CIPOJYIGDZHULH-QWHCGFSZSA-N -1 0 309.318 0.223 50 0 DCAARM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1occc1C ZINC000390835264 397303594 /nfs/dbraw/zinc/30/35/94/397303594.db2.gz IFUXOFCXTGLFFK-DTWKUNHWSA-N -1 0 303.336 0.845 50 0 DCAARM COC(=O)CCOCCOCCOCCOCCC(=O)[O-] ZINC000606235258 397678314 /nfs/dbraw/zinc/67/83/14/397678314.db2.gz MOGNNSWXCSXEEM-UHFFFAOYSA-N -1 0 308.327 0.091 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000095949206 415562456 /nfs/dbraw/zinc/56/24/56/415562456.db2.gz GCSRRHHONNPVLO-OLZOCXBDSA-N -1 0 308.378 0.958 50 0 DCAARM COCCN1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1=O ZINC000170581170 416026760 /nfs/dbraw/zinc/02/67/60/416026760.db2.gz JJURPENAYORRFM-GXTWGEPZSA-N -1 0 320.345 0.423 50 0 DCAARM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CS2 ZINC000262902388 416337142 /nfs/dbraw/zinc/33/71/42/416337142.db2.gz BPRGBEVOBWPNBE-SDBXPKJASA-N -1 0 324.362 0.360 50 0 DCAARM CC(C)N1C[C@@H](C(=O)N(CC(=O)[O-])C2CCOCC2)CC1=O ZINC000583650529 416480091 /nfs/dbraw/zinc/48/00/91/416480091.db2.gz CFLPIDPXMCCFCE-NSHDSACASA-N -1 0 312.366 0.336 50 0 DCAARM Cc1cccc(C)c1CS(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000568201873 417098854 /nfs/dbraw/zinc/09/88/54/417098854.db2.gz KVGVEUGCPARVLU-CYBMUJFWSA-N -1 0 313.375 0.919 50 0 DCAARM CN(C)C(=O)N1CCC(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC000659226785 418070933 /nfs/dbraw/zinc/07/09/33/418070933.db2.gz MYBUKXMHCBNFQZ-TXEJJXNPSA-N -1 0 311.382 0.702 50 0 DCAARM O=C([O-])c1ccc(NS(=O)(=O)N2CCCOCC2)cc1 ZINC000650148920 418295323 /nfs/dbraw/zinc/29/53/23/418295323.db2.gz XZHYPDAWHYSXIA-UHFFFAOYSA-N -1 0 300.336 0.764 50 0 DCAARM Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000106064409 302919339 /nfs/dbraw/zinc/91/93/39/302919339.db2.gz DGFOHDWRHIYFNI-USWWRNFRSA-N -1 0 313.379 0.827 50 0 DCAARM Cn1cnnc1CCC(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000534657423 334314334 /nfs/dbraw/zinc/31/43/34/334314334.db2.gz XUZXQRZEWOCBAY-UHFFFAOYSA-N -1 0 318.333 0.641 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CCO1 ZINC000328594764 534524959 /nfs/dbraw/zinc/52/49/59/534524959.db2.gz BGNMVLOAYDWQDE-PMUGQKEBSA-N -1 0 319.313 0.783 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299749224 534526083 /nfs/dbraw/zinc/52/60/83/534526083.db2.gz JMTVSAWXADATBF-LBPRGKRZSA-N -1 0 320.280 0.332 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000262559261 527558404 /nfs/dbraw/zinc/55/84/04/527558404.db2.gz ZDQBGMWEIOCYAS-UHFFFAOYSA-N -1 0 303.318 0.474 50 0 DCAARM Cc1nc(CNS(=O)(=O)c2ccc(C(=O)[O-])n2C)cs1 ZINC000670461427 547098474 /nfs/dbraw/zinc/09/84/74/547098474.db2.gz FCOXUWUAUIKREZ-UHFFFAOYSA-N -1 0 315.376 0.967 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccccc2F)C1 ZINC000685941440 548746555 /nfs/dbraw/zinc/74/65/55/548746555.db2.gz WVZKWZNLFFXGTB-AAEUAGOBSA-N -1 0 322.336 0.806 50 0 DCAARM COc1ccc(C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1O ZINC000254762791 660727999 /nfs/dbraw/zinc/72/79/99/660727999.db2.gz AIBNZHQZRLPEFS-SNVBAGLBSA-N -1 0 323.330 0.797 50 0 DCAARM C[C@@H](C(=O)[O-])N(C(=O)C1CCN(C(=O)N(C)C)CC1)C1CC1 ZINC000262570304 662490007 /nfs/dbraw/zinc/49/00/07/662490007.db2.gz CJNRKCVRJREJGO-JTQLQIEISA-N -1 0 311.382 0.844 50 0 DCAARM CCc1nc(N2CCN(Cc3nccn3C)[C@H](C(=O)[O-])C2)no1 ZINC000071764924 685074280 /nfs/dbraw/zinc/07/42/80/685074280.db2.gz OLBRSSZQHGOBJB-JTQLQIEISA-N -1 0 320.353 0.141 50 0 DCAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ncccc2C(N)=O)c1C ZINC000952881214 768947941 /nfs/dbraw/zinc/94/79/41/768947941.db2.gz GKFRGBPKUFGHRE-UHFFFAOYSA-N -1 0 323.378 0.815 50 0 DCAARM C[C@@H]1CN(C(=O)[C@H](NC(=O)C(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000225608119 186282581 /nfs/dbraw/zinc/28/25/81/186282581.db2.gz XQHPCVVRIXJSNU-NTZNESFSSA-N -1 0 320.345 0.564 50 0 DCAARM O=C([O-])C1(n2cccn2)CCN(C(=O)CCN2CCCO2)CC1 ZINC000072430796 191162313 /nfs/dbraw/zinc/16/23/13/191162313.db2.gz JFAMTSPJGWAQJX-UHFFFAOYSA-N -1 0 322.365 0.313 50 0 DCAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-] ZINC000004060935 181068087 /nfs/dbraw/zinc/06/80/87/181068087.db2.gz ZTCRRLFZSKKTQV-QMMMGPOBSA-N -1 0 305.286 0.939 50 0 biogenic DCAARM COC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000004183106 181082251 /nfs/dbraw/zinc/08/22/51/181082251.db2.gz ZSVISGLRKBGPLW-WEVVVXLNSA-N -1 0 306.274 0.427 50 0 DCAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000004117648 181075409 /nfs/dbraw/zinc/07/54/09/181075409.db2.gz PAZRNFHBUAVIRN-KGLIPLIRSA-N -1 0 306.362 0.959 50 0 biogenic,in-vitro DCAARM COc1ccc(NC(=O)C[C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000004264018 181089534 /nfs/dbraw/zinc/08/95/34/181089534.db2.gz BFDOTLBPLISOSB-ZDUSSCGKSA-N -1 0 308.334 0.809 50 0 DCAARM O=C([O-])CCNC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000000489241 304055601 /nfs/dbraw/zinc/05/56/01/304055601.db2.gz VFLRSXUMXYRUDJ-MNOVXSKESA-N -1 0 305.334 0.452 50 0 biogenic DCAARM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)[C@H](O)Cc1ccccc1 ZINC000263457509 299253775 /nfs/dbraw/zinc/25/37/75/299253775.db2.gz UXINWCLFRDAUOT-IINYFYTJSA-N -1 0 315.329 0.897 50 0 DCAARM O=C([O-])CN1C(=O)C(=C2SC(=O)NC2=O)c2ccccc21 ZINC000001216011 304066527 /nfs/dbraw/zinc/06/65/27/304066527.db2.gz CHXJLJYUCDNPOZ-KTKRTIGZSA-N -1 0 304.283 0.812 50 0 DCAARM O=C([O-])C[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000262885799 304083410 /nfs/dbraw/zinc/08/34/10/304083410.db2.gz HKYDLLGFDCOFRY-SNVBAGLBSA-N -1 0 303.380 0.810 50 0 DCAARM Nc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000006622483 181361585 /nfs/dbraw/zinc/36/15/85/181361585.db2.gz VOIUZXXENYTCDH-UHFFFAOYSA-N -1 0 320.330 0.781 50 0 DCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)Cc1ccsc1)CC2 ZINC000091321769 193039669 /nfs/dbraw/zinc/03/96/69/193039669.db2.gz AEKVPLODZXOJBU-LLVKDONJSA-N -1 0 322.386 0.873 50 0 DCAARM Cc1c[nH]c(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c1 ZINC000091440913 193056077 /nfs/dbraw/zinc/05/60/77/193056077.db2.gz JVLZSYOLLCHVPW-JTQLQIEISA-N -1 0 305.334 0.519 50 0 DCAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ncc[nH]1)CC2 ZINC000091644421 193083617 /nfs/dbraw/zinc/08/36/17/193083617.db2.gz WVBDSLCWSRTDEF-GFCCVEGCSA-N -1 0 306.366 0.697 50 0 DCAARM CCc1nnc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])s1 ZINC000091985388 193135717 /nfs/dbraw/zinc/13/57/17/193135717.db2.gz MZQMMABBRIWBML-MRVPVSSYSA-N -1 0 310.379 0.660 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCCN2CCOCC2)C[C@H]1C1CC1 ZINC000092046507 193147523 /nfs/dbraw/zinc/14/75/23/193147523.db2.gz NXTHAOXLKODORO-UONOGXRCSA-N -1 0 310.394 0.668 50 0 DCAARM Cc1cccc(C)c1CS(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000568201874 291411536 /nfs/dbraw/zinc/41/15/36/291411536.db2.gz KVGVEUGCPARVLU-ZDUSSCGKSA-N -1 0 313.375 0.919 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000252431539 304143936 /nfs/dbraw/zinc/14/39/36/304143936.db2.gz LAFXIKOZHMDLJA-QCNOEVLYSA-N -1 0 315.391 0.665 50 0 DCAARM C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000003374951 296139061 /nfs/dbraw/zinc/13/90/61/296139061.db2.gz JBVUPFJZEUPOOC-MRVPVSSYSA-N -1 0 301.320 0.599 50 0 DCAARM CCc1c(C(=O)NCC(=O)[O-])nnn1-c1ccc(OC)cc1 ZINC000011730553 181702106 /nfs/dbraw/zinc/70/21/06/181702106.db2.gz QIRSGAVZNUKQTL-UHFFFAOYSA-N -1 0 304.306 0.653 50 0 DCAARM Cc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)cc1C(=O)[O-] ZINC000020319263 182206518 /nfs/dbraw/zinc/20/65/18/182206518.db2.gz KDFCNYPLECVAIV-UHFFFAOYSA-N -1 0 305.338 0.741 50 0 DCAARM Cc1cc(O)c2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc2c1 ZINC000020412615 182215092 /nfs/dbraw/zinc/21/50/92/182215092.db2.gz UAANSOHJVYOXJH-UHFFFAOYSA-N -1 0 305.286 0.859 50 0 biogenic DCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc[nH]c1=O ZINC000022321936 182317906 /nfs/dbraw/zinc/31/79/06/182317906.db2.gz ITGGEYLVUMMNBH-UHFFFAOYSA-N -1 0 316.342 0.945 50 0 DCAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000032089322 182634072 /nfs/dbraw/zinc/63/40/72/182634072.db2.gz DOZACONFJYRDRU-UHFFFAOYSA-N -1 0 311.261 0.403 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000100775428 193803966 /nfs/dbraw/zinc/80/39/66/193803966.db2.gz WNGPSKSMZMUCIF-VHSXEESVSA-N -1 0 321.720 0.639 50 0 DCAARM O=C([O-])c1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)ccn1 ZINC000091441422 304225847 /nfs/dbraw/zinc/22/58/47/304225847.db2.gz GNLOKYBCHDJYFK-KGLIPLIRSA-N -1 0 322.361 0.509 50 0 DCAARM COc1ccc([C@@H](C)NC(=O)Cn2[n-]c(=O)ccc2=O)cc1F ZINC000065479465 184352389 /nfs/dbraw/zinc/35/23/89/184352389.db2.gz KNRBFZFROUDWFH-SECBINFHSA-N -1 0 321.308 0.562 50 0 DCAARM Cc1nn(C)c(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c1Cl ZINC000426575099 257245968 /nfs/dbraw/zinc/24/59/68/257245968.db2.gz XKNOTDNBWKOOLG-SECBINFHSA-N -1 0 323.740 0.757 50 0 DCAARM CS(=O)(=O)NCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000426535393 257246659 /nfs/dbraw/zinc/24/66/59/257246659.db2.gz DQDVTFHLRPAWOF-SNVBAGLBSA-N -1 0 306.384 0.172 50 0 DCAARM Cc1nonc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000426477396 257249459 /nfs/dbraw/zinc/24/94/59/257249459.db2.gz NALZQJQXJDWWII-LBPRGKRZSA-N -1 0 305.290 0.438 50 0 DCAARM Cc1cc(=O)cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)[nH]1 ZINC000426394604 257252615 /nfs/dbraw/zinc/25/26/15/257252615.db2.gz MRKZLWVVGSGQBO-CYBMUJFWSA-N -1 0 302.286 0.945 50 0 DCAARM CC(C)c1nccc(C(=O)N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)n1 ZINC000426383005 257252725 /nfs/dbraw/zinc/25/27/25/257252725.db2.gz DAUQTISMNSINKY-MRVPVSSYSA-N -1 0 318.337 0.836 50 0 DCAARM COc1ccc([C@H](CC(=O)[O-])NS(C)(=O)=O)cc1OC ZINC000008274346 395684345 /nfs/dbraw/zinc/68/43/45/395684345.db2.gz OVFYLNCURBIYDG-VIFPVBQESA-N -1 0 303.336 0.769 50 0 DCAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])n3nnnc3n2)c1 ZINC000008328868 395684378 /nfs/dbraw/zinc/68/43/78/395684378.db2.gz YTCILTKISHFMJU-UHFFFAOYSA-N -1 0 301.262 0.902 50 0 DCAARM CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000008939780 395685028 /nfs/dbraw/zinc/68/50/28/395685028.db2.gz NGFNQJSTFVSYTG-SNVBAGLBSA-N -1 0 319.766 0.958 50 0 DCAARM CC(=O)N[C@@H](CSc1nc(Cl)nc2[nH]cnc21)C(=O)[O-] ZINC000009421458 395685323 /nfs/dbraw/zinc/68/53/23/395685323.db2.gz AJTHHITYMWBJEB-YFKPBYRVSA-N -1 0 315.742 0.688 50 0 DCAARM CC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020289289 395691155 /nfs/dbraw/zinc/69/11/55/395691155.db2.gz DNWATRVUQCBXPK-ZRDIBKRKSA-N -1 0 303.318 0.434 50 0 DCAARM C[C@@H](O)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000167918 395679887 /nfs/dbraw/zinc/67/98/87/395679887.db2.gz QRZCGRVTJFRTNR-ZCFIWIBFSA-N -1 0 308.153 0.635 50 0 DCAARM COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc(OC)c1 ZINC000001236591 395680691 /nfs/dbraw/zinc/68/06/91/395680691.db2.gz RXOCYZSKLDMEMZ-ZDUSSCGKSA-N -1 0 308.334 0.479 50 0 DCAARM COCCN1C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=O ZINC000033449896 395716989 /nfs/dbraw/zinc/71/69/89/395716989.db2.gz HFAOQWIGEVTKAR-MNOVXSKESA-N -1 0 300.355 0.097 50 0 DCAARM Cn1c(=O)n(CC(=O)[O-])c(=O)c2cnc(-c3ccccc3)nc21 ZINC000035462386 395720959 /nfs/dbraw/zinc/72/09/59/395720959.db2.gz FNALZCJVHKXGAT-UHFFFAOYSA-N -1 0 312.285 0.242 50 0 DCAARM COc1ccc(-n2c(C)cc(=O)n(CCC(=O)[O-])c2=O)cc1 ZINC000098063785 395761962 /nfs/dbraw/zinc/76/19/62/395761962.db2.gz OUEQYNLJKVIGFF-UHFFFAOYSA-N -1 0 304.302 0.791 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100050409 395762513 /nfs/dbraw/zinc/76/25/13/395762513.db2.gz MPOQDJNXYFLADA-RKDXNWHRSA-N -1 0 307.693 0.330 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000100050355 395762594 /nfs/dbraw/zinc/76/25/94/395762594.db2.gz GUTVTRKIDBAZQV-MNOVXSKESA-N -1 0 301.302 0.294 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000136494055 395947493 /nfs/dbraw/zinc/94/74/93/395947493.db2.gz BHWFVAIOMFAARI-LLVKDONJSA-N -1 0 318.333 0.352 50 0 DCAARM C[C@@H]1CN(C(=O)[C@@H](NC(=O)C(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000252571082 396023379 /nfs/dbraw/zinc/02/33/79/396023379.db2.gz XQHPCVVRIXJSNU-WZRBSPASSA-N -1 0 320.345 0.564 50 0 DCAARM CCS(=O)(=O)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000262185445 396107560 /nfs/dbraw/zinc/10/75/60/396107560.db2.gz QNFIMJWDRFSOSN-GFCCVEGCSA-N -1 0 311.359 0.459 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1=O ZINC000262880230 396189379 /nfs/dbraw/zinc/18/93/79/396189379.db2.gz XQZKSHTVOJMLDO-XPTSAGLGSA-N -1 0 309.322 0.249 50 0 DCAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000263288412 396212066 /nfs/dbraw/zinc/21/20/66/396212066.db2.gz VNFDKEDJHAVMII-LBPRGKRZSA-N -1 0 311.382 0.892 50 0 DCAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000269082874 396384685 /nfs/dbraw/zinc/38/46/85/396384685.db2.gz JCHGALKJURPZNK-GXTWGEPZSA-N -1 0 306.362 0.819 50 0 DCAARM O=C(COc1ccccc1)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000585139780 396641584 /nfs/dbraw/zinc/64/15/84/396641584.db2.gz QTISFMBLJVXZKC-UHFFFAOYSA-N -1 0 303.322 0.089 50 0 DCAARM C[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(N)=O)O[C@H]1C(=O)[O-] ZINC000630114462 396942984 /nfs/dbraw/zinc/94/29/84/396942984.db2.gz OTSRYDGGSIPYOW-OJAKKHQRSA-N -1 0 320.345 0.077 50 0 DCAARM C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H](C(=O)[O-])O1 ZINC000630200743 396959301 /nfs/dbraw/zinc/95/93/01/396959301.db2.gz SEHSPRZXAGZOSP-PSASIEDQSA-N -1 0 301.730 0.627 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCc1nc(C2CC2)no1 ZINC000262555188 158824554 /nfs/dbraw/zinc/82/45/54/158824554.db2.gz YBQBICIXQSLGJI-JTQLQIEISA-N -1 0 309.322 0.582 50 0 DCAARM CCOc1ccc(Cc2nnc(N3CCOCC3)[n-]c2=O)cc1 ZINC000005154597 415135308 /nfs/dbraw/zinc/13/53/08/415135308.db2.gz VSVRQYPDCAMKJF-UHFFFAOYSA-N -1 0 316.361 0.991 50 0 DCAARM CCc1nn(C)c(CC)c1CNC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263412394 416337898 /nfs/dbraw/zinc/33/78/98/416337898.db2.gz JEKQBESDSAQHCY-UHFFFAOYSA-N -1 0 317.349 0.963 50 0 DCAARM O=C(c1cc(=O)[n-]o1)N1CCCN(Cc2ccccn2)CC1 ZINC000216298000 416327384 /nfs/dbraw/zinc/32/73/84/416327384.db2.gz MYMBBUBBXKDGOV-UHFFFAOYSA-N -1 0 302.334 0.711 50 0 DCAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000237957896 416329247 /nfs/dbraw/zinc/32/92/47/416329247.db2.gz KMLLBZKIIZWLER-GFCCVEGCSA-N -1 0 302.330 0.769 50 0 DCAARM COC1CCN(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC000629312817 417779030 /nfs/dbraw/zinc/77/90/30/417779030.db2.gz OPZGGMUREGFFAR-AOOOYVTPSA-N -1 0 306.384 0.137 50 0 DCAARM O=C([O-])CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000299747847 229391096 /nfs/dbraw/zinc/39/10/96/229391096.db2.gz FIWVMCWBKSYMCX-UHFFFAOYSA-N -1 0 304.258 0.927 50 0 DCAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2COCCO2)C(=O)[O-])c1 ZINC000299751777 229395547 /nfs/dbraw/zinc/39/55/47/229395547.db2.gz RRJFCBTWBSUWAJ-KGLIPLIRSA-N -1 0 307.346 0.770 50 0 DCAARM COCCOc1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299751894 229395675 /nfs/dbraw/zinc/39/56/75/229395675.db2.gz SGAPOPVPBVKLGY-ZDUSSCGKSA-N -1 0 309.318 0.637 50 0 DCAARM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000263246727 279424165 /nfs/dbraw/zinc/42/41/65/279424165.db2.gz GHVGDIOWFGPDAE-LLVKDONJSA-N -1 0 317.407 0.913 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000565289789 288840923 /nfs/dbraw/zinc/84/09/23/288840923.db2.gz KKHJYYGYZVIQMM-SECBINFHSA-N -1 0 323.729 0.953 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000268967705 298209386 /nfs/dbraw/zinc/20/93/86/298209386.db2.gz DOWCDYIFJPOCMZ-YPMHNXCESA-N -1 0 304.346 0.967 50 0 DCAARM Cn1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1=O ZINC000237728187 303042092 /nfs/dbraw/zinc/04/20/92/303042092.db2.gz XPJQPGDXEUTEFB-USWWRNFRSA-N -1 0 305.334 0.638 50 0 DCAARM NC(=O)c1cc(NC(=O)/C=C\C(=O)[O-])ccc1N1CCOCC1 ZINC000032645630 303340786 /nfs/dbraw/zinc/34/07/86/303340786.db2.gz WQHDYVYYBCAYRG-ARJAWSKDSA-N -1 0 319.317 0.201 50 0 DCAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@H]2COCCO2)c1 ZINC000534592832 334295005 /nfs/dbraw/zinc/29/50/05/334295005.db2.gz SZSKBIANQHRWSS-ZDUSSCGKSA-N -1 0 309.318 0.881 50 0 DCAARM CC(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000262627627 519246177 /nfs/dbraw/zinc/24/61/77/519246177.db2.gz DSUFQWQGXFCVEW-SSDOTTSWSA-N -1 0 304.324 0.156 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000262507999 534526641 /nfs/dbraw/zinc/52/66/41/534526641.db2.gz JPQTXZWBJQPQCD-AWEZNQCLSA-N -1 0 315.329 0.727 50 0 DCAARM C[C@@H](NC(=O)c1ccc(N(C)CCO)cc1)c1nc(=O)[nH][nH]1 ZINC000215701043 545937567 /nfs/dbraw/zinc/93/75/67/545937567.db2.gz MBNIRLLTJFHWOW-SECBINFHSA-N -1 0 305.338 0.018 50 0 DCAARM Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000218758077 545940595 /nfs/dbraw/zinc/94/05/95/545940595.db2.gz SEGQKMUYABPFNV-MNOVXSKESA-N -1 0 323.349 0.584 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)CS(=O)(=O)C2CCCC2)n1 ZINC000262947881 545986050 /nfs/dbraw/zinc/98/60/50/545986050.db2.gz IKVDSFPEKLQTDR-UHFFFAOYSA-N -1 0 315.351 0.264 50 0 DCAARM Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000585655819 546303521 /nfs/dbraw/zinc/30/35/21/546303521.db2.gz VMQVJWFYNUASLD-QMMMGPOBSA-N -1 0 300.274 0.937 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 ZINC000315020249 599947153 /nfs/dbraw/zinc/94/71/53/599947153.db2.gz VNLZGEVIVFUQLV-AWEZNQCLSA-N -1 0 305.330 0.866 50 0 DCAARM CN1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000067842435 664605201 /nfs/dbraw/zinc/60/52/01/664605201.db2.gz XRAKXSCMWBMZJI-ZDUSSCGKSA-N -1 0 315.333 0.313 50 0 DCAARM CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](O)C2)cc1 ZINC001704304913 1179967552 /nfs/dbraw/zinc/96/75/52/1179967552.db2.gz JDLUFRLUHVVJAH-QWHCGFSZSA-N -1 0 313.375 0.705 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704339018 1179977450 /nfs/dbraw/zinc/97/74/50/1179977450.db2.gz BOMPHRAMXWUQAO-NWDGAFQWSA-N -1 0 313.375 0.760 50 0 DCAARM CCn1ccnc1CN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC001704353889 1179983350 /nfs/dbraw/zinc/98/33/50/1179983350.db2.gz VMAMRCWFONXVBF-LLVKDONJSA-N -1 0 306.366 0.458 50 0 DCAARM CO[C@H](C)CS(=O)(=O)[N-]c1nsnc1Br ZINC000585129065 754920633 /nfs/dbraw/zinc/92/06/33/754920633.db2.gz XAAHODIJUSLOCS-SCSAIBSYSA-N -1 0 316.202 1.077 50 0 DCAARM CC(C)(C)NC(=O)CN1CCN(c2nc(C(=O)[O-])co2)CC1 ZINC001529191859 1014516723 /nfs/dbraw/zinc/51/67/23/1014516723.db2.gz GYMPUCVAXCPJLD-UHFFFAOYSA-N -1 0 310.354 0.410 50 0 DCAARM Cc1cccc(N2CC[C@H](CNC(=O)Cn3[n-]nnc3=N)C2)c1 ZINC001506405622 1017254426 /nfs/dbraw/zinc/25/44/26/1017254426.db2.gz CYHSAVQCTXZRNZ-GFCCVEGCSA-N -1 0 315.381 0.037 50 0 DCAARM CC(C)Oc1ccc(Cl)cc1CNC(=O)Cn1[n-]nnc1=N ZINC001506426360 1017270044 /nfs/dbraw/zinc/27/00/44/1017270044.db2.gz HCBGWVRKYPFSCX-UHFFFAOYSA-N -1 0 324.772 0.843 50 0 DCAARM COCCn1cnnc1SCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000006871510 190626146 /nfs/dbraw/zinc/62/61/46/190626146.db2.gz JOGYPQJBOBMUFL-SNVBAGLBSA-N -1 0 316.383 0.242 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000262539563 290788593 /nfs/dbraw/zinc/78/85/93/290788593.db2.gz KSTSXIQLTFSNFD-MRVPVSSYSA-N -1 0 316.335 0.267 50 0 DCAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237457515 186292211 /nfs/dbraw/zinc/29/22/11/186292211.db2.gz FDDCWUONZIVOFN-ZWNOBZJWSA-N -1 0 323.393 0.918 50 0 DCAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N(C)CC(=O)[O-] ZINC000003863639 181050000 /nfs/dbraw/zinc/05/00/00/181050000.db2.gz WTCOHXSDLNQRSD-UHFFFAOYSA-N -1 0 305.286 0.893 50 0 biogenic DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004188237 181083116 /nfs/dbraw/zinc/08/31/16/181083116.db2.gz MPOQDJNXYFLADA-BDAKNGLRSA-N -1 0 307.693 0.330 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000004369223 181103195 /nfs/dbraw/zinc/10/31/95/181103195.db2.gz PTCQESBPQMEHJX-GHMZBOCLSA-N -1 0 301.302 0.375 50 0 DCAARM COC(=O)C[C@@H](C[P@@](=O)([O-])CN1CCCC1=O)C(=O)OC ZINC000004577694 181126866 /nfs/dbraw/zinc/12/68/66/181126866.db2.gz ISOPTCCWWMIMMZ-VIFPVBQESA-N -1 0 321.266 0.189 50 0 DCAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1OC ZINC000004942699 181177006 /nfs/dbraw/zinc/17/70/06/181177006.db2.gz QIIMLHPPTOESNG-SECBINFHSA-N -1 0 303.278 0.674 50 0 DCAARM Cc1ccc(NC(=O)/C=c2\[nH]c(=O)/c(=C\C(=O)[O-])s2)c(C)c1 ZINC000005242797 181220536 /nfs/dbraw/zinc/22/05/36/181220536.db2.gz CHHVMAIBPURQDI-NBPRNCBBSA-N -1 0 318.354 0.338 50 0 DCAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CN1CSCC1=O ZINC000050921866 304058737 /nfs/dbraw/zinc/05/87/37/304058737.db2.gz UMYYXQYITKADBT-JTQLQIEISA-N -1 0 300.380 0.765 50 0 DCAARM Cc1nc(CNC(=O)Cc2n[nH]c(=O)[n-]2)nc2c1CCCC2 ZINC000426662266 240353422 /nfs/dbraw/zinc/35/34/22/240353422.db2.gz OGAUTKZDUBWXQG-UHFFFAOYSA-N -1 0 302.338 0.346 50 0 DCAARM O=C([O-])CN(C(=O)C1CCN(c2cnccn2)CC1)C1CC1 ZINC000238067689 202433983 /nfs/dbraw/zinc/43/39/83/202433983.db2.gz AMCDJBJDVGWFSG-UHFFFAOYSA-N -1 0 304.350 0.769 50 0 DCAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000268950086 238255243 /nfs/dbraw/zinc/25/52/43/238255243.db2.gz PNCREGIOIQCXPY-MNOVXSKESA-N -1 0 318.329 0.639 50 0 DCAARM CCN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000194926131 201311930 /nfs/dbraw/zinc/31/19/30/201311930.db2.gz ZVOPNXASDGERML-UONOGXRCSA-N -1 0 306.362 0.519 50 0 DCAARM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cs1 ZINC000006681525 181370036 /nfs/dbraw/zinc/37/00/36/181370036.db2.gz BVPLPLRHUQIQJG-SECBINFHSA-N -1 0 320.392 0.495 50 0 DCAARM Cc1c[nH]c(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c1 ZINC000091440915 193055780 /nfs/dbraw/zinc/05/57/80/193055780.db2.gz JVLZSYOLLCHVPW-SNVBAGLBSA-N -1 0 305.334 0.519 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(c1cc(C3CC3)ncn1)CC2 ZINC000092045759 193147267 /nfs/dbraw/zinc/14/72/67/193147267.db2.gz YGYPIPZAMJCCEV-NSHDSACASA-N -1 0 316.361 0.914 50 0 DCAARM COc1cc(CCC(=O)NCCOCC(=O)[O-])cc(OC)c1 ZINC000263436108 203468129 /nfs/dbraw/zinc/46/81/29/203468129.db2.gz LOFHUFVIQPMKPY-UHFFFAOYSA-N -1 0 311.334 0.854 50 0 DCAARM CCNC(=O)[C@@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000012532594 181772073 /nfs/dbraw/zinc/77/20/73/181772073.db2.gz KYLQCGNNBMBLCQ-SECBINFHSA-N -1 0 313.379 0.313 50 0 DCAARM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)cs1)C(=O)[O-] ZINC000016649614 182055862 /nfs/dbraw/zinc/05/58/62/182055862.db2.gz ABQLOSACNGOKNY-ZCFIWIBFSA-N -1 0 306.365 0.201 50 0 DCAARM O=C([O-])c1ccc(-n2nnnc2S[C@@H]2CCOC2=O)cc1 ZINC000019853498 182157170 /nfs/dbraw/zinc/15/71/70/182157170.db2.gz FHJUKSIKTMVVTD-SECBINFHSA-N -1 0 306.303 0.768 50 0 DCAARM CN(Cc1noc(-c2ccccc2)n1)C(=O)Nc1nnn[n-]1 ZINC000023159639 182352218 /nfs/dbraw/zinc/35/22/18/182352218.db2.gz VKGJUOMCYQTJPA-UHFFFAOYSA-N -1 0 300.282 0.914 50 0 DCAARM COC(CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3)OC ZINC000100910948 193806184 /nfs/dbraw/zinc/80/61/84/193806184.db2.gz UMYHETGJRZICRL-UHFFFAOYSA-N -1 0 318.329 0.612 50 0 DCAARM O=c1cccnn1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000038510304 183001194 /nfs/dbraw/zinc/00/11/94/183001194.db2.gz WCSJRBRLGRIIFU-UHFFFAOYSA-N -1 0 315.301 0.500 50 0 DCAARM O=C([O-])[C@@]1(NC(=O)[C@@H]2COc3ccccc3O2)CCSC1 ZINC000043503659 183368163 /nfs/dbraw/zinc/36/81/63/183368163.db2.gz DSQHOEUAIARHHO-SMDDNHRTSA-N -1 0 309.343 0.903 50 0 DCAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CNC(=O)c4ccccc4NC(=O)[C@H]13)O2 ZINC000247424536 304212021 /nfs/dbraw/zinc/21/20/21/304212021.db2.gz SCRYGNWYNGHETK-KZTGVZKYSA-N -1 0 314.297 0.393 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000065454566 184347774 /nfs/dbraw/zinc/34/77/74/184347774.db2.gz WFAOCRGBGGOGSF-SECBINFHSA-N -1 0 315.322 0.533 50 0 DCAARM COc1cc([C@H]2CNC(=O)[C@@H]2C(=O)[O-])c(OC)c2c1OCO2 ZINC000066091321 184388376 /nfs/dbraw/zinc/38/83/76/184388376.db2.gz LWLGIQZIEVXYLB-VXNVDRBHSA-N -1 0 309.274 0.347 50 0 DCAARM COc1ccc(N2C[C@H](C(=O)NCC(=O)[O-])CC2=O)c(OC)c1 ZINC000294441135 224030793 /nfs/dbraw/zinc/03/07/93/224030793.db2.gz QUVLZRCMKYNAQU-SECBINFHSA-N -1 0 322.317 0.258 50 0 DCAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CC1CCOCC1 ZINC000117531449 194830632 /nfs/dbraw/zinc/83/06/32/194830632.db2.gz CFXGAKNXMQJCFC-UHFFFAOYSA-N -1 0 302.352 0.913 50 0 DCAARM Cc1cc(C)n(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(=O)n1 ZINC000426737388 257243385 /nfs/dbraw/zinc/24/33/85/257243385.db2.gz KFOXTWNVCRLLTM-AWEZNQCLSA-N -1 0 315.329 0.802 50 0 DCAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NCC2(C)COC2)c1 ZINC000426697339 257244071 /nfs/dbraw/zinc/24/40/71/257244071.db2.gz MHLTXWYGDFDQSX-UHFFFAOYSA-N -1 0 308.334 0.894 50 0 DCAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NCC(C)(C)CO)c1 ZINC000426589004 257246391 /nfs/dbraw/zinc/24/63/91/257246391.db2.gz LXJLSGXWBQJMJF-UHFFFAOYSA-N -1 0 310.350 0.876 50 0 DCAARM Cc1cc(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@@H]2C)cc(C)n1 ZINC000426494327 257248441 /nfs/dbraw/zinc/24/84/41/257248441.db2.gz GLSKPZIRWHLGRH-NSHDSACASA-N -1 0 305.334 0.456 50 0 DCAARM O=C([O-])[C@@H]1C=CCN1C(=O)CCN1Cc2ccccc2C1=O ZINC000426407534 257251579 /nfs/dbraw/zinc/25/15/79/257251579.db2.gz LKVSCBGAMXCNGA-ZDUSSCGKSA-N -1 0 300.314 0.884 50 0 DCAARM Cc1csc(=O)n1CC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000127178927 195855302 /nfs/dbraw/zinc/85/53/02/195855302.db2.gz ZSNWSGZECGEVCT-UHFFFAOYSA-N -1 0 318.420 0.997 50 0 DCAARM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000284655052 131101099 /nfs/dbraw/zinc/10/10/99/131101099.db2.gz DLTJFWBDNYLEQF-SSDOTTSWSA-N -1 0 304.372 0.586 50 0 DCAARM COc1ccccc1NC(=O)C[C@H](C(=O)[O-])N1CCOCC1 ZINC000008496180 395684635 /nfs/dbraw/zinc/68/46/35/395684635.db2.gz DLAQCCBNPQFVAF-GFCCVEGCSA-N -1 0 308.334 0.809 50 0 DCAARM CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013077206 395688466 /nfs/dbraw/zinc/68/84/66/395688466.db2.gz YWOUYUININIWNT-UHFFFAOYSA-N -1 0 320.754 0.405 50 0 DCAARM NS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000013357478 395688553 /nfs/dbraw/zinc/68/85/53/395688553.db2.gz GTAGASVUOLXUGJ-JTQLQIEISA-N -1 0 316.335 0.045 50 0 DCAARM COC(CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)OC ZINC000000425349 395680419 /nfs/dbraw/zinc/68/04/19/395680419.db2.gz SXGVBAALXDYBKY-UHFFFAOYSA-N -1 0 323.374 0.794 50 0 DCAARM CC1(C)C[C@@H](O)C[C@](C)(CNC=C2C(=O)[N-]C(=O)NC2=O)C1 ZINC000003189460 395682238 /nfs/dbraw/zinc/68/22/38/395682238.db2.gz YSGGTTSALQBGFJ-PSLIRLAXSA-N -1 0 309.366 0.403 50 0 DCAARM COc1ccc(CC(=O)NCCc2n[nH]c(=O)[n-]2)c(Cl)c1 ZINC000089432650 395711690 /nfs/dbraw/zinc/71/16/90/395711690.db2.gz QWIPERLYGDGNOQ-UHFFFAOYSA-N -1 0 310.741 0.661 50 0 DCAARM CO[N-]C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000032635575 395712026 /nfs/dbraw/zinc/71/20/26/395712026.db2.gz BIKDPINPOYYQEN-UHFFFAOYSA-N -1 0 315.123 0.852 50 0 DCAARM C[C@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)[O-])C1=O ZINC000033520827 395716827 /nfs/dbraw/zinc/71/68/27/395716827.db2.gz SQMJGQJDQCSJHH-SNVBAGLBSA-N -1 0 306.318 0.782 50 0 DCAARM O=C(CN1CSCC1=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000037430628 395727020 /nfs/dbraw/zinc/72/70/20/395727020.db2.gz GEIUAUVXHVTNGM-LLVKDONJSA-N -1 0 308.359 0.331 50 0 DCAARM CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037493642 395727792 /nfs/dbraw/zinc/72/77/92/395727792.db2.gz BIKFPOXJTYUMPW-UHFFFAOYSA-N -1 0 309.347 0.939 50 0 DCAARM O=C([O-])[C@@H]1CN(Cc2c[nH]cn2)CCN(C(=O)c2ccc[nH]2)C1 ZINC000097301315 395757101 /nfs/dbraw/zinc/75/71/01/395757101.db2.gz YTVWPDXNWVYKPT-LLVKDONJSA-N -1 0 317.349 0.397 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[n-]o2)CC[N@H+](CC2CC2)C1 ZINC000097521999 395758509 /nfs/dbraw/zinc/75/85/09/395758509.db2.gz YFQIHCUGTVQYSI-JTQLQIEISA-N -1 0 309.322 0.249 50 0 DCAARM COc1coc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cc1=O ZINC000097636494 395759631 /nfs/dbraw/zinc/75/96/31/395759631.db2.gz CIHVLNPAEKHYNO-NSHDSACASA-N -1 0 305.290 0.383 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000100544178 395763232 /nfs/dbraw/zinc/76/32/32/395763232.db2.gz LPBXLYYIGKHSND-GHMZBOCLSA-N -1 0 317.301 0.076 50 0 DCAARM O=S(=O)(C[C@H](O)CO)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000195211904 395821627 /nfs/dbraw/zinc/82/16/27/395821627.db2.gz GJTGGESEOMWGNR-GFCCVEGCSA-N -1 0 323.374 0.087 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000049550558 395832707 /nfs/dbraw/zinc/83/27/07/395832707.db2.gz CYASIKPACPKGDW-GFCCVEGCSA-N -1 0 315.329 0.720 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCCn1ccnc1 ZINC000219925864 395847013 /nfs/dbraw/zinc/84/70/13/395847013.db2.gz PZNGONDRZITFLX-NEPJUHHUSA-N -1 0 311.338 0.038 50 0 DCAARM CCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000222488612 395852911 /nfs/dbraw/zinc/85/29/11/395852911.db2.gz BVMYYOZXXGIMCP-VXGBXAGGSA-N -1 0 324.333 0.469 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000261693713 396057002 /nfs/dbraw/zinc/05/70/02/396057002.db2.gz JITFMCXONWAFEQ-SNVBAGLBSA-N -1 0 320.301 0.333 50 0 DCAARM O=C([O-])CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000262574037 396157860 /nfs/dbraw/zinc/15/78/60/396157860.db2.gz DAXZSMZTEXDWHO-UHFFFAOYSA-N -1 0 312.347 0.189 50 0 DCAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])S(=O)(=O)C1CCOCC1 ZINC000263278703 396210806 /nfs/dbraw/zinc/21/08/06/396210806.db2.gz JFAYZPKDYDYVGL-GXSJLCMTSA-N -1 0 319.379 0.044 50 0 DCAARM C[C@H](NC(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1)C(=O)[O-] ZINC000263413145 396216366 /nfs/dbraw/zinc/21/63/66/396216366.db2.gz JILACBAOQHGQFW-AXFHLTTASA-N -1 0 307.350 0.898 50 0 DCAARM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1csc(Cl)c1 ZINC000193010574 396442358 /nfs/dbraw/zinc/44/23/58/396442358.db2.gz KHUOVJHVUISNOY-UHFFFAOYSA-N -1 0 310.784 0.597 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c(F)c2)CCO1 ZINC000584908057 396637775 /nfs/dbraw/zinc/63/77/75/396637775.db2.gz IJFOKJQMOCEJAF-LBPRGKRZSA-N -1 0 320.280 0.332 50 0 DCAARM O=C1CC[C@H](NS(=O)(=O)[N-]CC(F)(F)F)C2(CCC2)N1 ZINC000374653101 396678322 /nfs/dbraw/zinc/67/83/22/396678322.db2.gz MJECFURYAMNMBG-ZETCQYMHSA-N -1 0 315.317 0.174 50 0 DCAARM CCO[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262204800 158784096 /nfs/dbraw/zinc/78/40/96/158784096.db2.gz PBVUJLCFYMPYHW-GRYCIOLGSA-N -1 0 312.366 0.193 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)CCO1 ZINC000049864845 415309999 /nfs/dbraw/zinc/30/99/99/415309999.db2.gz TTWSDHXKDHZNGN-SNVBAGLBSA-N -1 0 313.693 0.994 50 0 DCAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccc(C(N)=O)cc3)c2n1 ZINC000067225471 415376451 /nfs/dbraw/zinc/37/64/51/415376451.db2.gz UMGUFKSECMPHBW-UHFFFAOYSA-N -1 0 311.301 0.682 50 0 DCAARM NC(=O)c1ccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000089712909 415523742 /nfs/dbraw/zinc/52/37/42/415523742.db2.gz DBXPYPLWSHQNFU-SECBINFHSA-N -1 0 312.347 0.271 50 0 DCAARM CC(C)(C(N)=O)n1nnc(C(=O)[O-])c1-c1ccc2c(c1)OCO2 ZINC000094988212 415550346 /nfs/dbraw/zinc/55/03/46/415550346.db2.gz IVGLWZZGJRKRDH-UHFFFAOYSA-N -1 0 318.289 0.592 50 0 DCAARM Cc1[nH]nc(C(=O)N2CCN(CCC(=O)[O-])CC2)c1Cl ZINC000299763046 416066354 /nfs/dbraw/zinc/06/63/54/416066354.db2.gz ZCQXUXVTJJLCRV-UHFFFAOYSA-N -1 0 300.746 0.604 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000238103462 416329706 /nfs/dbraw/zinc/32/97/06/416329706.db2.gz MXQNSMKNJFZHEK-VIFPVBQESA-N -1 0 304.281 0.953 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc3O2)CCO1 ZINC000583650594 416480714 /nfs/dbraw/zinc/48/07/14/416480714.db2.gz PAVPLUGFVHSFDE-QWRGUYRKSA-N -1 0 309.343 0.852 50 0 DCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CCO1 ZINC000560480879 288506094 /nfs/dbraw/zinc/50/60/94/288506094.db2.gz AGKRRMGHEAUSQJ-NSHDSACASA-N -1 0 321.301 0.580 50 0 DCAARM O=C([O-])c1nscc1S(=O)(=O)NC[C@@H]1CCCOC1 ZINC000564922955 288788695 /nfs/dbraw/zinc/78/86/95/288788695.db2.gz JIPAHEUFPGBYNE-ZETCQYMHSA-N -1 0 306.365 0.546 50 0 DCAARM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000299749129 288894863 /nfs/dbraw/zinc/89/48/63/288894863.db2.gz JJTCIUBQSKAPHO-LMLFDSFASA-N -1 0 303.380 0.521 50 0 DCAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])C2 ZINC000299752265 295268509 /nfs/dbraw/zinc/26/85/09/295268509.db2.gz TURRNDWDGLMIDQ-WCQYABFASA-N -1 0 321.329 0.558 50 0 DCAARM COc1cccc([C@@H]2C[N@H+](CC(=O)[O-])C[C@H]2C(=O)[O-])c1OC ZINC000091986901 295316249 /nfs/dbraw/zinc/31/62/49/295316249.db2.gz IFUAJAVJHNRBAY-WDEREUQCSA-N -1 0 309.318 0.888 50 0 DCAARM Cc1cc(C)n2ncc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2n1 ZINC000299741443 534129918 /nfs/dbraw/zinc/12/99/18/534129918.db2.gz GCOSVIOUTQRPBH-NSHDSACASA-N -1 0 304.306 0.272 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)n1 ZINC000299753082 534509056 /nfs/dbraw/zinc/50/90/56/534509056.db2.gz WTFLLHZPNHFGDI-UHFFFAOYSA-N -1 0 317.301 0.920 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2occc2Br)CCO1 ZINC000178280621 534537487 /nfs/dbraw/zinc/53/74/87/534537487.db2.gz GFYBKKZXWCACNV-SSDOTTSWSA-N -1 0 304.096 0.968 50 0 DCAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000299752234 534539154 /nfs/dbraw/zinc/53/91/54/534539154.db2.gz SYFUEPRPSWHEJU-STQMWFEESA-N -1 0 308.378 0.958 50 0 DCAARM CCOc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC000262384476 521206243 /nfs/dbraw/zinc/20/62/43/521206243.db2.gz HOLSIXJGSPENJH-NSHDSACASA-N -1 0 302.352 0.868 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000262062584 526333175 /nfs/dbraw/zinc/33/31/75/526333175.db2.gz BXYVKTZHQXPKMQ-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM CCc1nc(=N[C@H]2CCc3c(nc(C)n3CCO)C2)s[n-]1 ZINC000585092070 546303476 /nfs/dbraw/zinc/30/34/76/546303476.db2.gz DCFMTVHKVYJGFB-JTQLQIEISA-N -1 0 307.423 0.989 50 0 DCAARM O=C(CCC(=O)Nc1cccc(F)c1)NCc1n[nH]c(=O)[n-]1 ZINC000670436563 547089378 /nfs/dbraw/zinc/08/93/78/547089378.db2.gz PNPRJLSTZYVNJI-UHFFFAOYSA-N -1 0 307.285 0.685 50 0 DCAARM COCC[C@@H]1CN(Cc2cc(=O)n3[n-]c(C)cc3n2)CCO1 ZINC000670472294 547101623 /nfs/dbraw/zinc/10/16/23/547101623.db2.gz CWPRQDLTCFEBIF-CYBMUJFWSA-N -1 0 306.366 0.568 50 0 DCAARM CN1CCO[C@@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C[C@H]21 ZINC000888095932 661170161 /nfs/dbraw/zinc/17/01/61/661170161.db2.gz FKVJPOOJBPYVHF-ZIAGYGMSSA-N -1 0 304.346 0.930 50 0 DCAARM Cc1noc([C@@H]2COCCN2C(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000776365716 668875631 /nfs/dbraw/zinc/87/56/31/668875631.db2.gz MEUZVCAOHLYEJQ-NSHDSACASA-N -1 0 318.289 0.685 50 0 DCAARM CCOc1ccccc1CCCNC(=O)Cn1[n-]nnc1=N ZINC000952986078 685601730 /nfs/dbraw/zinc/60/17/30/685601730.db2.gz YDGCZPBWOFTNLY-UHFFFAOYSA-N -1 0 304.354 0.233 50 0 DCAARM CNC(=O)c1ccsc1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000952993858 685603383 /nfs/dbraw/zinc/60/33/83/685603383.db2.gz LBKKHRYHRARUOQ-UHFFFAOYSA-N -1 0 314.392 0.950 50 0 DCAARM CCN(CCOc1cc(C)cc(C)c1)C(=O)Cn1[n-]nnc1=N ZINC000952987563 685602912 /nfs/dbraw/zinc/60/29/12/685602912.db2.gz OMXHUOSRNUVNFM-UHFFFAOYSA-N -1 0 318.381 0.630 50 0 DCAARM CC1(C)O[C@H]2O[C@@H](COCC(=O)[O-])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC001772491104 1190701292 /nfs/dbraw/zinc/70/12/92/1190701292.db2.gz OFECXDXQSFHKBA-XENQEKTKSA-N -1 0 318.322 0.484 50 0 DCAARM CC[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)O1 ZINC000585085762 766273256 /nfs/dbraw/zinc/27/32/56/766273256.db2.gz RLLDIJNHTYGFLA-MWLCHTKSSA-N -1 0 314.363 0.936 50 0 DCAARM CC(C)Cc1nc(CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)no1 ZINC001506418558 1017264462 /nfs/dbraw/zinc/26/44/62/1017264462.db2.gz ZUUBTPZEBOIOJX-UHFFFAOYSA-N -1 0 321.337 0.670 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cn1nc2ccccc2n1 ZINC000072147558 191052279 /nfs/dbraw/zinc/05/22/79/191052279.db2.gz KNBHQWBLHYMBQL-SNVBAGLBSA-N -1 0 304.306 0.133 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)Cn1nc2ccccc2n1 ZINC000072147557 191053159 /nfs/dbraw/zinc/05/31/59/191053159.db2.gz KNBHQWBLHYMBQL-JTQLQIEISA-N -1 0 304.306 0.133 50 0 DCAARM O=C([O-])CCCNS(=O)(=O)c1cccc2nsnc21 ZINC000002065105 180908968 /nfs/dbraw/zinc/90/89/68/180908968.db2.gz HEACSBBFPRPHOC-UHFFFAOYSA-N -1 0 301.349 0.834 50 0 DCAARM Cc1c(O)ccc2c(CC(=O)NCCC(=O)[O-])cc(=O)oc12 ZINC000004064658 181068840 /nfs/dbraw/zinc/06/88/40/181068840.db2.gz ICHULAFRFDVMPU-UHFFFAOYSA-N -1 0 305.286 0.940 50 0 biogenic DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000088376625 545712358 /nfs/dbraw/zinc/71/23/58/545712358.db2.gz WBKKGTIIPUKPAE-JTQLQIEISA-N -1 0 323.729 0.953 50 0 DCAARM O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(=O)[nH]1 ZINC000004479995 181112951 /nfs/dbraw/zinc/11/29/51/181112951.db2.gz PACWULORORWNBF-UHFFFAOYSA-N -1 0 303.246 0.142 50 0 DCAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)c(OC)c1 ZINC000004998554 181188107 /nfs/dbraw/zinc/18/81/07/181188107.db2.gz QLYPCKLJWYLYLU-SNVBAGLBSA-N -1 0 303.278 0.674 50 0 DCAARM Cc1nn(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)c1Cl ZINC000237864182 202374418 /nfs/dbraw/zinc/37/44/18/202374418.db2.gz ZLNKJZNETLFXHZ-JTQLQIEISA-N -1 0 315.757 0.855 50 0 DCAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCCOc1ccc(F)cc1 ZINC000262668607 238178590 /nfs/dbraw/zinc/17/85/90/238178590.db2.gz QPPXMRGAYRNUMQ-ZDUSSCGKSA-N -1 0 310.325 0.870 50 0 DCAARM O=C([O-])c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000268917654 238252523 /nfs/dbraw/zinc/25/25/23/238252523.db2.gz QYHQBZJQRBABNQ-UHFFFAOYSA-N -1 0 312.347 0.150 50 0 DCAARM CCc1c(C)nn(CC(=O)NC2(C(=O)[O-])CCOCC2)c1C ZINC000220424232 201576501 /nfs/dbraw/zinc/57/65/01/201576501.db2.gz FZQKDNJFMOOMLF-UHFFFAOYSA-N -1 0 309.366 0.812 50 0 DCAARM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)c1 ZINC000096025945 193491360 /nfs/dbraw/zinc/49/13/60/193491360.db2.gz DPGGXAWIBXJBBH-UHFFFAOYSA-N -1 0 306.347 0.507 50 0 DCAARM CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000012504854 181768451 /nfs/dbraw/zinc/76/84/51/181768451.db2.gz ZSBFDIPIJCQQCV-JTQLQIEISA-N -1 0 319.766 0.958 50 0 DCAARM O=C([O-])c1c(F)c(F)c(S(=O)(=O)CCO)c(F)c1F ZINC000013729261 181885196 /nfs/dbraw/zinc/88/51/96/181885196.db2.gz CADJPXDVDVWDSN-UHFFFAOYSA-N -1 0 302.201 0.707 50 0 DCAARM CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)[O-] ZINC000015883441 182023858 /nfs/dbraw/zinc/02/38/58/182023858.db2.gz WRDPNUXZBZKTGQ-UHFFFAOYSA-N -1 0 323.374 0.761 50 0 DCAARM CN(C)S(=O)(=O)c1csc(C(=O)NCCC(=O)[O-])c1 ZINC000016648314 182055223 /nfs/dbraw/zinc/05/52/23/182055223.db2.gz VPCLLWAWKDAYRI-UHFFFAOYSA-N -1 0 306.365 0.203 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000017858961 182087222 /nfs/dbraw/zinc/08/72/22/182087222.db2.gz HPDVHPKKACYSDP-VXGBXAGGSA-N -1 0 315.329 0.684 50 0 DCAARM O=C([O-])c1ccn(CC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000020602726 182237293 /nfs/dbraw/zinc/23/72/93/182237293.db2.gz NGPUMJVIRDHKFO-UHFFFAOYSA-N -1 0 303.274 0.991 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000238075556 304185768 /nfs/dbraw/zinc/18/57/68/304185768.db2.gz QXPMJPPLAQZIFC-HUUCEWRRSA-N -1 0 318.373 0.963 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000299742811 304190475 /nfs/dbraw/zinc/19/04/75/304190475.db2.gz KOTCAXLAFICSEC-JTQLQIEISA-N -1 0 303.380 0.667 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000263061688 304197398 /nfs/dbraw/zinc/19/73/98/304197398.db2.gz YHQCXZNLITWIGY-CMPLNLGQSA-N -1 0 304.302 0.424 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N(Cc2csc(N3CCOCC3)n2)C1 ZINC000065462236 184348997 /nfs/dbraw/zinc/34/89/97/184348997.db2.gz YIPMLQQJXUVEEM-SECBINFHSA-N -1 0 311.363 0.413 50 0 DCAARM CSCC[C@H](NC(=O)c1c[nH]c2cc(C)nn2c1=O)C(=O)[O-] ZINC000426730234 257243521 /nfs/dbraw/zinc/24/35/21/257243521.db2.gz AAQBHVQPBSHCKY-VIFPVBQESA-N -1 0 324.362 0.267 50 0 DCAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cnc(N2CCOCC2)nc1 ZINC000426746073 257243569 /nfs/dbraw/zinc/24/35/69/257243569.db2.gz JHPBRKRZYITIJZ-HNNXBMFYSA-N -1 0 320.349 0.393 50 0 DCAARM NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003227039 257267124 /nfs/dbraw/zinc/26/71/24/257267124.db2.gz YFVYALDTWIYJTM-VIFPVBQESA-N -1 0 320.754 0.337 50 0 DCAARM C[C@H](NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000008996046 395685053 /nfs/dbraw/zinc/68/50/53/395685053.db2.gz VQRQBKYESYFJRF-QMMMGPOBSA-N -1 0 305.290 0.082 50 0 biogenic DCAARM Cc1nn(C)cc1S(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000012398092 395687582 /nfs/dbraw/zinc/68/75/82/395687582.db2.gz GPNBNSAAZAOGDK-UHFFFAOYSA-N -1 0 301.368 0.604 50 0 DCAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCCCO ZINC000001812465 395681078 /nfs/dbraw/zinc/68/10/78/395681078.db2.gz AFLPWHOCBJZSFL-GQCTYLIASA-N -1 0 315.347 0.454 50 0 biogenic,in-vitro DCAARM CCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)[O-])ccc21 ZINC000002928295 395682035 /nfs/dbraw/zinc/68/20/35/395682035.db2.gz QIFWGMGTHOHGKO-UHFFFAOYSA-N -1 0 312.347 0.349 50 0 DCAARM CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)[N-]C(=O)NC2=O)C1 ZINC000003189465 395682266 /nfs/dbraw/zinc/68/22/66/395682266.db2.gz YSGGTTSALQBGFJ-VFZGTOFNSA-N -1 0 309.366 0.403 50 0 DCAARM Cc1n[n-]c(SCCN2C(=O)c3ccccc3C2=O)nc1=O ZINC000085696827 395701585 /nfs/dbraw/zinc/70/15/85/395701585.db2.gz DYJWFJPUWBMLFK-UHFFFAOYSA-N -1 0 316.342 0.862 50 0 DCAARM O=C([O-])CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000036601272 395723877 /nfs/dbraw/zinc/72/38/77/395723877.db2.gz RKVIQLDRKRRNBM-SECBINFHSA-N -1 0 306.274 0.701 50 0 DCAARM Cc1nnc(N2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)s1 ZINC000096139996 395745986 /nfs/dbraw/zinc/74/59/86/395745986.db2.gz OBWXHXQJFOSOLO-HZMBPMFUSA-N -1 0 322.390 0.606 50 0 DCAARM CCCc1nnc(N2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)[O-])C2)s1 ZINC000096139592 395746342 /nfs/dbraw/zinc/74/63/42/395746342.db2.gz HAENKQNOQZYJKC-HZMBPMFUSA-N -1 0 324.406 0.860 50 0 DCAARM O=C([O-])CCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H](O)C1 ZINC000097468109 395757925 /nfs/dbraw/zinc/75/79/25/395757925.db2.gz CBIYMJHANIAOPJ-AWEZNQCLSA-N -1 0 324.352 0.696 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100544196 395763186 /nfs/dbraw/zinc/76/31/86/395763186.db2.gz QDCLWKHKBCWTDH-IUCAKERBSA-N -1 0 307.693 0.330 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000100775416 395763669 /nfs/dbraw/zinc/76/36/69/395763669.db2.gz WNGPSKSMZMUCIF-ZJUUUORDSA-N -1 0 321.720 0.639 50 0 DCAARM O=C([O-])CCCNC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000049548886 395832596 /nfs/dbraw/zinc/83/25/96/395832596.db2.gz OCTWVPQWEOOCTD-UHFFFAOYSA-N -1 0 307.350 0.493 50 0 DCAARM CCN(Cc1ccccc1C(=O)[O-])[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000055252997 395914762 /nfs/dbraw/zinc/91/47/62/395914762.db2.gz RHBAGGPXEQIGNN-STQMWFEESA-N -1 0 313.375 0.365 50 0 DCAARM CCn1cc([N-]S(=O)(=O)N2CCCCC2)c(C(N)=O)n1 ZINC000253429867 396028480 /nfs/dbraw/zinc/02/84/80/396028480.db2.gz DLHSDHSGDPVKAU-UHFFFAOYSA-N -1 0 301.372 0.145 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000153090661 396020531 /nfs/dbraw/zinc/02/05/31/396020531.db2.gz VHMCDNUXWPAXFA-SECBINFHSA-N -1 0 312.272 0.861 50 0 DCAARM O=C(Nc1cccc(CN2CCOCC2)c1)c1nc(=O)o[n-]1 ZINC000170602043 396094904 /nfs/dbraw/zinc/09/49/04/396094904.db2.gz JJVRZHFPERUNES-UHFFFAOYSA-N -1 0 304.306 0.447 50 0 DCAARM Cc1ccc(C2(CNC(=O)c3n[nH]c(=O)[n-]3)CCOCC2)cc1 ZINC000071890868 396123476 /nfs/dbraw/zinc/12/34/76/396123476.db2.gz VKXPZJNCEPZOEE-UHFFFAOYSA-N -1 0 316.361 0.885 50 0 DCAARM Cn1ccnc1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1CCCn1cccn1 ZINC000072275741 396129145 /nfs/dbraw/zinc/12/91/45/396129145.db2.gz ZZRASOBNFDRGSJ-AAEUAGOBSA-N -1 0 317.349 0.681 50 0 DCAARM CC(C)n1ccc(CC(=O)[N-]S(=O)(=O)N2CCCCC2)n1 ZINC000072310887 396130991 /nfs/dbraw/zinc/13/09/91/396130991.db2.gz DSJSZVMKTYCKLA-UHFFFAOYSA-N -1 0 314.411 0.853 50 0 DCAARM C[C@]1(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)CCCO1 ZINC000072427284 396131553 /nfs/dbraw/zinc/13/15/53/396131553.db2.gz AYGNTFCBKCOXAE-CQSZACIVSA-N -1 0 307.350 0.855 50 0 DCAARM C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262541338 396153074 /nfs/dbraw/zinc/15/30/74/396153074.db2.gz RKMXXMAHEQOYJO-RYUDHWBXSA-N -1 0 311.382 0.751 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)nn2)CCO1 ZINC000263056797 396200096 /nfs/dbraw/zinc/20/00/96/396200096.db2.gz XOBWMUVQHBECRI-ZDUSSCGKSA-N -1 0 316.317 0.252 50 0 DCAARM C[C@@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)[C@H]1C(=O)[O-] ZINC000263089616 396201266 /nfs/dbraw/zinc/20/12/66/396201266.db2.gz UCAPWMAGYDLVRU-QMTHXVAHSA-N -1 0 320.345 0.876 50 0 DCAARM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C1 ZINC000263347974 396214781 /nfs/dbraw/zinc/21/47/81/396214781.db2.gz PATNURHOJYTUIR-WOPDTQHZSA-N -1 0 311.382 0.750 50 0 DCAARM COCCn1cc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000626760078 397234211 /nfs/dbraw/zinc/23/42/11/397234211.db2.gz DBWJQKJCPSJPOV-YPMHNXCESA-N -1 0 324.381 0.782 50 0 DCAARM CC(=O)c1cccc(NC(=O)CCn2[n-]c(=O)ccc2=O)c1 ZINC000007327500 415136331 /nfs/dbraw/zinc/13/63/31/415136331.db2.gz SJEZKZONYGKQPL-UHFFFAOYSA-N -1 0 301.302 0.768 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000034926337 415187199 /nfs/dbraw/zinc/18/71/99/415187199.db2.gz RTOGGNKEKCMWCV-MNOVXSKESA-N -1 0 304.350 0.482 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000269161286 415247359 /nfs/dbraw/zinc/24/73/59/415247359.db2.gz YCUOABMYHQYKAX-UHFFFAOYSA-N -1 0 308.290 0.191 50 0 DCAARM CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269128474 415248598 /nfs/dbraw/zinc/24/85/98/415248598.db2.gz AHNSHUDMDPYKKO-ZETCQYMHSA-N -1 0 318.376 0.203 50 0 DCAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCCn1ccnc1 ZINC000095359832 415552427 /nfs/dbraw/zinc/55/24/27/415552427.db2.gz ZLTNCQHRGIVEMS-CYBMUJFWSA-N -1 0 303.322 0.597 50 0 DCAARM Cc1nc(C)c(CC(=O)NCc2ccc3nonc3c2)c(=O)[nH]1 ZINC000215392199 416326995 /nfs/dbraw/zinc/32/69/95/416326995.db2.gz GXBQKUUEEXWMIX-UHFFFAOYSA-N -1 0 313.317 0.782 50 0 DCAARM NC(=O)c1cc(F)c(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000451080440 417299709 /nfs/dbraw/zinc/29/97/09/417299709.db2.gz CQONBWATSGRPJN-ZETCQYMHSA-N -1 0 320.317 0.984 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(F)cc1F ZINC000088373968 262524907 /nfs/dbraw/zinc/52/49/07/262524907.db2.gz UGRJRUUNYPFOPJ-JTQLQIEISA-N -1 0 301.245 0.656 50 0 DCAARM CC1(C)[C@H](C(=O)N2CCN(c3ncccn3)CC2)[C@@H]1C(=O)[O-] ZINC000034926334 281464802 /nfs/dbraw/zinc/46/48/02/281464802.db2.gz RTOGGNKEKCMWCV-WDEREUQCSA-N -1 0 304.350 0.482 50 0 DCAARM Cc1c(C(=O)[O-])sc2ncnc(N3CC[NH2+][C@@H](C(=O)[O-])C3)c12 ZINC000071419043 300951371 /nfs/dbraw/zinc/95/13/71/300951371.db2.gz ZMENPCPAFOQAST-SSDOTTSWSA-N -1 0 322.346 0.561 50 0 DCAARM Cc1cc(C)n2ncc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2n1 ZINC000299743003 301259972 /nfs/dbraw/zinc/25/99/72/301259972.db2.gz LKCPMVHNLOBUEV-LLVKDONJSA-N -1 0 304.306 0.272 50 0 DCAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262830708 302770336 /nfs/dbraw/zinc/77/03/36/302770336.db2.gz SBLKVUCGTSXUMD-CABZTGNLSA-N -1 0 309.366 0.843 50 0 DCAARM NC(=O)CSc1nnnn1C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000000537202 303255561 /nfs/dbraw/zinc/25/55/61/303255561.db2.gz KVFXMYSTVLIWOY-SNVBAGLBSA-N -1 0 321.362 0.509 50 0 DCAARM CCCc1nc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)no1 ZINC000534583491 334290092 /nfs/dbraw/zinc/29/00/92/334290092.db2.gz UOCUAWGBHDKQQB-SNVBAGLBSA-N -1 0 322.365 0.924 50 0 DCAARM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000408516216 534233513 /nfs/dbraw/zinc/23/35/13/534233513.db2.gz HLNWOCYKQYGJRG-NKWVEPMBSA-N -1 0 306.365 0.400 50 0 DCAARM CC(C)[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)C(=O)[O-] ZINC000262260787 519820504 /nfs/dbraw/zinc/82/05/04/519820504.db2.gz YULHVNBHVNNARA-QMMMGPOBSA-N -1 0 306.365 0.235 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000299741872 534520254 /nfs/dbraw/zinc/52/02/54/534520254.db2.gz HKTLTKTXPQRIFM-SNVBAGLBSA-N -1 0 316.317 0.115 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000299741871 534534626 /nfs/dbraw/zinc/53/46/26/534534626.db2.gz HKTLTKTXPQRIFM-JTQLQIEISA-N -1 0 316.317 0.115 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1=O ZINC000262446120 534701579 /nfs/dbraw/zinc/70/15/79/534701579.db2.gz UEYZBMRUSKITOL-IEBDPFPHSA-N -1 0 321.333 0.344 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000238088173 526326144 /nfs/dbraw/zinc/32/61/44/526326144.db2.gz NEQUEULDDJSHGU-NSHDSACASA-N -1 0 300.314 0.935 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000299746593 526678468 /nfs/dbraw/zinc/67/84/68/526678468.db2.gz YHYXOGCPUXRBQE-VQXHTEKXSA-N -1 0 300.380 0.667 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299751752 526680701 /nfs/dbraw/zinc/68/07/01/526680701.db2.gz ROTYUOUZMJENHG-NSHDSACASA-N -1 0 312.347 0.824 50 0 DCAARM CCOc1ccccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299741185 528748117 /nfs/dbraw/zinc/74/81/17/528748117.db2.gz DLMDDGBSUYCFIP-NSHDSACASA-N -1 0 309.318 0.776 50 0 DCAARM CC[C@](CNC(=O)[C@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000263104714 662632878 /nfs/dbraw/zinc/63/28/78/662632878.db2.gz WSLNVNILQKUUGL-CZUORRHYSA-N -1 0 307.346 0.951 50 0 DCAARM NC(=O)c1cc([C@H]2CCCN(c3cnc(C(=O)[O-])cn3)C2)n[nH]1 ZINC000263418173 662686902 /nfs/dbraw/zinc/68/69/02/662686902.db2.gz OMSINJKKHDMJLL-QMMMGPOBSA-N -1 0 316.321 0.381 50 0 DCAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000065397812 685064508 /nfs/dbraw/zinc/06/45/08/685064508.db2.gz BXTYXQARUIFPNY-WDEREUQCSA-N -1 0 307.302 0.394 50 0 DCAARM CCc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)s1 ZINC001704341143 1179978974 /nfs/dbraw/zinc/97/89/74/1179978974.db2.gz QAXQPWZPDXNYSR-VHSXEESVSA-N -1 0 319.404 0.767 50 0 DCAARM CN(C)c1ncccc1[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000585086119 766271471 /nfs/dbraw/zinc/27/14/71/766271471.db2.gz CEWALORCYLJQRL-UHFFFAOYSA-N -1 0 323.378 0.927 50 0 DCAARM CN1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000095399170 185353903 /nfs/dbraw/zinc/35/39/03/185353903.db2.gz DTLOYTNYDUVIIR-QWHCGFSZSA-N -1 0 304.346 0.667 50 0 DCAARM O=C(NC[C@@H]1CCCC[C@H]1OCC(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000095400290 185354044 /nfs/dbraw/zinc/35/40/44/185354044.db2.gz RLSFGSOWFRWEDJ-JGVFFNPUSA-N -1 0 322.287 0.966 50 0 DCAARM CN1CC[C@@H](C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)CC1=O ZINC000095424506 185361353 /nfs/dbraw/zinc/36/13/53/185361353.db2.gz CWBOGGIGNHXJHZ-LLVKDONJSA-N -1 0 316.357 0.593 50 0 DCAARM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c(C)o1 ZINC000262693875 530025018 /nfs/dbraw/zinc/02/50/18/530025018.db2.gz GZYSJFJEDRGDFC-VIFPVBQESA-N -1 0 316.335 0.185 50 0 DCAARM C[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)[O-] ZINC000004046689 299140256 /nfs/dbraw/zinc/14/02/56/299140256.db2.gz JAARVQDZUJVXQE-AXFHLTTASA-N -1 0 305.334 0.450 50 0 biogenic DCAARM O=C([O-])C[C@H](C(=O)OCC(F)(F)C(F)F)N1CCOCC1 ZINC000002254177 180917184 /nfs/dbraw/zinc/91/71/84/180917184.db2.gz JXSUWGOMISWMHI-SSDOTTSWSA-N -1 0 317.235 0.606 50 0 DCAARM CCn1ncc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000002731924 180949857 /nfs/dbraw/zinc/94/98/57/180949857.db2.gz CAWIBQKNCMGPNV-SNVBAGLBSA-N -1 0 301.368 0.697 50 0 DCAARM CC(C)(C)C(=O)NC(=O)C[C@@H](NC(=O)C(C)(C)C)C(=O)[O-] ZINC000003882974 181052339 /nfs/dbraw/zinc/05/23/39/181052339.db2.gz AAPZCKKQRNKCKE-MRVPVSSYSA-N -1 0 300.355 0.681 50 0 biogenic DCAARM CCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OCC(=O)[O-] ZINC000004691190 181137183 /nfs/dbraw/zinc/13/71/83/181137183.db2.gz CQVNHYFBHRJLDD-WEVVVXLNSA-N -1 0 322.342 0.894 50 0 DCAARM CCCC(=O)[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000005259950 181223199 /nfs/dbraw/zinc/22/31/99/181223199.db2.gz XFNBOTNAZFPHDU-UHFFFAOYSA-N -1 0 320.392 0.663 50 0 DCAARM COc1ccc(CNC(=O)C[S@](=O)CC(=O)[O-])cc1OC ZINC000005351451 181233079 /nfs/dbraw/zinc/23/30/79/181233079.db2.gz CONGEKDSFSXCHV-OAQYLSRUSA-N -1 0 315.347 0.153 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000238071391 202435129 /nfs/dbraw/zinc/43/51/29/202435129.db2.gz WZSZOKANYJMODB-GFCCVEGCSA-N -1 0 301.302 0.472 50 0 DCAARM CC1(C)C[C@H](c2cn(CCn3[n-]c(=O)ccc3=O)nn2)CCO1 ZINC000091547956 193071561 /nfs/dbraw/zinc/07/15/61/193071561.db2.gz HKLWUPYDLBLJOU-LLVKDONJSA-N -1 0 319.365 0.913 50 0 DCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)c1ccncc1)CC2 ZINC000091650227 193084662 /nfs/dbraw/zinc/08/46/62/193084662.db2.gz CIBNROHZTNJUFZ-LLVKDONJSA-N -1 0 303.318 0.277 50 0 DCAARM O=C([O-])C1(NC(=O)c2cnc3ccccc3n2)CCOCC1 ZINC000218394702 201539535 /nfs/dbraw/zinc/53/95/35/201539535.db2.gz ZSFBYIUQYDJROY-UHFFFAOYSA-N -1 0 301.302 0.993 50 0 DCAARM O=C([O-])COCCNC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000093227210 193218719 /nfs/dbraw/zinc/21/87/19/193218719.db2.gz VFZRLUUXSJJRQY-UHFFFAOYSA-N -1 0 301.682 0.900 50 0 DCAARM CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094554576 193379489 /nfs/dbraw/zinc/37/94/89/193379489.db2.gz QVWPNMUSXLZVOS-VIFPVBQESA-N -1 0 316.335 0.018 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000018250213 182100583 /nfs/dbraw/zinc/10/05/83/182100583.db2.gz IQTJYXGILGFVMQ-JQWIXIFHSA-N -1 0 318.285 0.503 50 0 DCAARM CCC(NCCO)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020566895 182232976 /nfs/dbraw/zinc/23/29/76/182232976.db2.gz UZTMMPOWVLDIII-SEYXRHQNSA-N -1 0 317.345 0.511 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000299745489 304199830 /nfs/dbraw/zinc/19/98/30/304199830.db2.gz ZMUSAFBWUBPFCF-ZYHUDNBSSA-N -1 0 310.350 0.090 50 0 DCAARM CC(C)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000041125007 183168942 /nfs/dbraw/zinc/16/89/42/183168942.db2.gz FLCXKYKAKDZINF-JTQLQIEISA-N -1 0 314.319 0.921 50 0 DCAARM CC[C@]1(c2cc(OC)ccc2OC)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842218 184056612 /nfs/dbraw/zinc/05/66/12/184056612.db2.gz JZERNUJBWPCCSB-OAHLLOKOSA-N -1 0 322.317 0.946 50 0 DCAARM O=C(NCCN1CCCS1(=O)=O)c1ccc([O-])c(Cl)c1 ZINC000058216589 184089165 /nfs/dbraw/zinc/08/91/65/184089165.db2.gz XRTPOFPGMOQONL-UHFFFAOYSA-N -1 0 318.782 0.811 50 0 DCAARM CCN1C[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1=O ZINC000236830423 285448801 /nfs/dbraw/zinc/44/88/01/285448801.db2.gz UVTLWUWHAPBZBB-ZIAGYGMSSA-N -1 0 316.357 0.893 50 0 DCAARM COc1ccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cc1 ZINC000008492446 395684610 /nfs/dbraw/zinc/68/46/10/395684610.db2.gz JROIJGIRSXDFAO-UHFFFAOYSA-N -1 0 314.363 0.086 50 0 DCAARM Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1 ZINC000012526114 395687681 /nfs/dbraw/zinc/68/76/81/395687681.db2.gz RMHDKTRYCILDGO-UHFFFAOYSA-N -1 0 308.319 0.552 50 0 DCAARM CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000012972708 395688257 /nfs/dbraw/zinc/68/82/57/395688257.db2.gz FOHVMNKBZRXTPJ-UHFFFAOYSA-N -1 0 318.376 0.345 50 0 DCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C)C1 ZINC000013455959 395688547 /nfs/dbraw/zinc/68/85/47/395688547.db2.gz MDDHQPFNDFJIBU-SECBINFHSA-N -1 0 315.347 0.803 50 0 DCAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000000031349 395679674 /nfs/dbraw/zinc/67/96/74/395679674.db2.gz MLBDVSSNNTVKSP-LBPRGKRZSA-N -1 0 312.347 0.883 50 0 biogenic,in-vitro DCAARM Cn1nccc1NC(=O)CN(CC(=O)[O-])Cc1ccccc1 ZINC000000130071 395679996 /nfs/dbraw/zinc/67/99/96/395679996.db2.gz UYVRYZHZRQHVFS-UHFFFAOYSA-N -1 0 302.334 0.945 50 0 DCAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N(CCO)CCO)c1 ZINC000000390543 395680255 /nfs/dbraw/zinc/68/02/55/395680255.db2.gz LTYKKEDATQXSSZ-UHFFFAOYSA-N -1 0 323.754 0.014 50 0 DCAARM COc1nc([N-]S(=O)(=O)c2ccc(N)cc2)nc(N(C)C)n1 ZINC000000379347 395680327 /nfs/dbraw/zinc/68/03/27/395680327.db2.gz AYOKXYNJKPEIPA-UHFFFAOYSA-N -1 0 324.366 0.329 50 0 DCAARM Cc1cccc(C)c1NC(=O)CSc1n[nH]c(=O)[n-]c1=O ZINC000001282380 395680763 /nfs/dbraw/zinc/68/07/63/395680763.db2.gz QHVKWWPLFIVRJI-UHFFFAOYSA-N -1 0 306.347 0.806 50 0 DCAARM CCn1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036610997 395723819 /nfs/dbraw/zinc/72/38/19/395723819.db2.gz OVCJFJRQNKVWEB-DTWKUNHWSA-N -1 0 306.322 0.607 50 0 DCAARM CN(Cc1ccc(F)cc1F)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000089356210 395710614 /nfs/dbraw/zinc/71/06/14/395710614.db2.gz OQJVWSVOJUHBRC-UHFFFAOYSA-N -1 0 309.272 0.886 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000032848292 395714262 /nfs/dbraw/zinc/71/42/62/395714262.db2.gz IFHMNKIZFFSXBM-HNNXBMFYSA-N -1 0 305.334 0.911 50 0 DCAARM O=C(Cc1cccc(Br)c1)NCc1n[nH]c(=O)[n-]1 ZINC000096450065 395753306 /nfs/dbraw/zinc/75/33/06/395753306.db2.gz LLPWSDJUSOCORD-UHFFFAOYSA-N -1 0 311.139 0.719 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100057857 395762545 /nfs/dbraw/zinc/76/25/45/395762545.db2.gz YMHQMPQRXPUJBL-UWVGGRQHSA-N -1 0 321.720 0.720 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100165764 395762812 /nfs/dbraw/zinc/76/28/12/395762812.db2.gz BLARNBWXGUKFJQ-WCBMZHEXSA-N -1 0 308.677 0.757 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000101020905 395763991 /nfs/dbraw/zinc/76/39/91/395763991.db2.gz PZCCVITWUIVBNF-KOLCDFICSA-N -1 0 316.273 0.379 50 0 DCAARM Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)s1 ZINC000101763736 395767046 /nfs/dbraw/zinc/76/70/46/395767046.db2.gz ULNQOJFOARLACH-ZETCQYMHSA-N -1 0 306.347 0.588 50 0 DCAARM COc1ccc(-c2ccc(=O)n(CC(=O)NCC(=O)[O-])n2)cc1 ZINC000049545115 395832494 /nfs/dbraw/zinc/83/24/94/395832494.db2.gz DBXYNCNUSOCAAR-UHFFFAOYSA-N -1 0 317.301 0.120 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCOc1ccccc1 ZINC000218115184 395841524 /nfs/dbraw/zinc/84/15/24/395841524.db2.gz ZWXASOUGVBAVTE-KGLIPLIRSA-N -1 0 323.345 0.830 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)Cc1cscn1 ZINC000223436329 395855134 /nfs/dbraw/zinc/85/51/34/395855134.db2.gz YGLZKRPCXWCDRN-ZJUUUORDSA-N -1 0 300.336 0.061 50 0 DCAARM CCCCn1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1=O ZINC000236727692 395896565 /nfs/dbraw/zinc/89/65/65/395896565.db2.gz CIVJTJQQVCMDCV-OAHLLOKOSA-N -1 0 307.350 0.980 50 0 DCAARM CC(C)(CC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000236796022 395898785 /nfs/dbraw/zinc/89/87/85/395898785.db2.gz HCIJTVUNVNKXKW-SSDOTTSWSA-N -1 0 310.272 0.767 50 0 DCAARM C[C@@H]1O[C@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O ZINC000245235242 395926562 /nfs/dbraw/zinc/92/65/62/395926562.db2.gz IOBCYGJFFBZLHE-WUXCAISBSA-N -1 0 317.725 0.278 50 0 DCAARM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccsc1 ZINC000252479637 396019911 /nfs/dbraw/zinc/01/99/11/396019911.db2.gz BJBATGZFRUTXQF-DTWKUNHWSA-N -1 0 319.404 0.934 50 0 DCAARM CNC(=O)N1CCC([C@H]2CCN(C(=O)CCC(=O)[O-])C2)CC1 ZINC000169781856 396091969 /nfs/dbraw/zinc/09/19/69/396091969.db2.gz BXZABCFBYKLAML-LBPRGKRZSA-N -1 0 311.382 0.751 50 0 DCAARM CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000170091466 396094414 /nfs/dbraw/zinc/09/44/14/396094414.db2.gz IFVPQKMEVUAUCM-AWEZNQCLSA-N -1 0 316.361 0.480 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)CCc2cccs2)n[n-]1 ZINC000069568055 396082981 /nfs/dbraw/zinc/08/29/81/396082981.db2.gz MWMORPSCXUPYNW-UHFFFAOYSA-N -1 0 300.365 0.841 50 0 DCAARM COc1cc(NC(=O)C2=NN(C)C(=O)CC2)ccc1C(=O)[O-] ZINC000262563038 396156272 /nfs/dbraw/zinc/15/62/72/396156272.db2.gz VYHMWDMXIDDXKW-UHFFFAOYSA-N -1 0 305.290 0.940 50 0 DCAARM CCN(CC)S(=O)(=O)CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262596935 396159876 /nfs/dbraw/zinc/15/98/76/396159876.db2.gz XCLBGQVWLGPPCJ-SNVBAGLBSA-N -1 0 306.384 0.124 50 0 DCAARM CC(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000262627632 396164156 /nfs/dbraw/zinc/16/41/56/396164156.db2.gz DSUFQWQGXFCVEW-ZETCQYMHSA-N -1 0 304.324 0.156 50 0 DCAARM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1nc(=O)[nH][n-]1 ZINC000075604419 396182423 /nfs/dbraw/zinc/18/24/23/396182423.db2.gz XCSHSEWGQTUZQI-ZETCQYMHSA-N -1 0 310.745 0.771 50 0 DCAARM CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262853687 396187659 /nfs/dbraw/zinc/18/76/59/396187659.db2.gz HBGFKTMWVATVDZ-GFCCVEGCSA-N -1 0 310.281 0.710 50 0 DCAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCn2cccn2)N1C1CC1 ZINC000630657887 397073197 /nfs/dbraw/zinc/07/31/97/397073197.db2.gz WINYRIUTFMFYHE-STQMWFEESA-N -1 0 306.366 0.469 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CCO1 ZINC000387004898 397292157 /nfs/dbraw/zinc/29/21/57/397292157.db2.gz AADQVPVCIIMNFE-LSYFEZSPSA-N -1 0 305.286 0.741 50 0 DCAARM CCn1cncc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000261615552 158721949 /nfs/dbraw/zinc/72/19/49/158721949.db2.gz AWIPOBHQHHUJOV-GFCCVEGCSA-N -1 0 323.374 0.877 50 0 DCAARM C[C@H](NC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1)C(=O)[O-] ZINC000263413168 158877517 /nfs/dbraw/zinc/87/75/17/158877517.db2.gz JILACBAOQHGQFW-MXWKQRLJSA-N -1 0 307.350 0.898 50 0 DCAARM COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] ZINC000004207209 292520599 /nfs/dbraw/zinc/52/05/99/292520599.db2.gz ARJDRISVIVWBQI-OAHLLOKOSA-N -1 0 304.302 0.697 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000269165005 415247966 /nfs/dbraw/zinc/24/79/66/415247966.db2.gz DWLMEACGVUKBBX-JTQLQIEISA-N -1 0 312.347 0.141 50 0 DCAARM COc1ccc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000268991207 415248124 /nfs/dbraw/zinc/24/81/24/415248124.db2.gz SXRGFNYZMSPOAI-GFCCVEGCSA-N -1 0 323.345 0.948 50 0 DCAARM C[C@@H](CN(C)C(=O)c1sccc1S(C)(=O)=O)C(=O)[O-] ZINC000089895820 415527966 /nfs/dbraw/zinc/52/79/66/415527966.db2.gz BSFYUENXOQCSLE-ZETCQYMHSA-N -1 0 305.377 0.944 50 0 DCAARM CN1CC(=O)N(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1=O ZINC000299744451 416064964 /nfs/dbraw/zinc/06/49/64/416064964.db2.gz SGRUPPIAZCSGOB-VWYCJHECSA-N -1 0 323.349 0.125 50 0 DCAARM Cc1csc2ncc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)n12 ZINC000263291088 416337719 /nfs/dbraw/zinc/33/77/19/416337719.db2.gz WMTQDFLKQMYONX-SECBINFHSA-N -1 0 309.347 0.903 50 0 DCAARM CSCc1noc(CN2CCc3[nH]nc(C(=O)[O-])c3C2)n1 ZINC000244708238 416330668 /nfs/dbraw/zinc/33/06/68/416330668.db2.gz KPWTUHROQZQEDK-UHFFFAOYSA-N -1 0 309.351 0.912 50 0 DCAARM CC(C)C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000424239832 416630762 /nfs/dbraw/zinc/63/07/62/416630762.db2.gz GAFZNYOLYPXLEE-MRVPVSSYSA-N -1 0 318.351 0.404 50 0 DCAARM CC(C)n1ncc2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cnc21 ZINC000659170422 418067746 /nfs/dbraw/zinc/06/77/46/418067746.db2.gz WJARHIGLCKTLKZ-NEPJUHHUSA-N -1 0 318.333 0.984 50 0 DCAARM CC(=O)N1CCc2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])ccc21 ZINC000659171200 418068628 /nfs/dbraw/zinc/06/86/28/418068628.db2.gz LPJRSELHHZNPGI-OCCSQVGLSA-N -1 0 318.329 0.568 50 0 DCAARM NC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000299744702 229383378 /nfs/dbraw/zinc/38/33/78/229383378.db2.gz UJKTZYLYXSWWGA-STQMWFEESA-N -1 0 319.361 0.589 50 0 DCAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299750058 229394555 /nfs/dbraw/zinc/39/45/55/229394555.db2.gz MOEKBKJRWYVSIB-NOZJJQNGSA-N -1 0 309.366 0.528 50 0 DCAARM COc1cc(C)ccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299740960 533685775 /nfs/dbraw/zinc/68/57/75/533685775.db2.gz CJOVDOOPPJNUAL-ZDUSSCGKSA-N -1 0 309.318 0.694 50 0 DCAARM CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=O)[nH]c1=O ZINC000000488974 278059635 /nfs/dbraw/zinc/05/96/35/278059635.db2.gz RLKBEJZZQHRXGR-GFCCVEGCSA-N -1 0 301.302 0.263 50 0 biogenic DCAARM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000094702592 278987811 /nfs/dbraw/zinc/98/78/11/278987811.db2.gz GNRGRXQQNXJENC-QWRGUYRKSA-N -1 0 320.411 0.274 50 0 DCAARM CC1(C)[C@H](C(=O)N2CCCN(c3ncccn3)CC2)[C@@H]1C(=O)[O-] ZINC000071282791 281464846 /nfs/dbraw/zinc/46/48/46/281464846.db2.gz PBWBEQRKDUJXGR-NWDGAFQWSA-N -1 0 318.377 0.872 50 0 DCAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C1CC1 ZINC000262669272 298204598 /nfs/dbraw/zinc/20/45/98/298204598.db2.gz WTIKANINNQXJJR-MRVPVSSYSA-N -1 0 316.313 0.990 50 0 DCAARM Cc1c[nH]c(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)n1 ZINC000299777360 301024360 /nfs/dbraw/zinc/02/43/60/301024360.db2.gz JSTDXRDXEZVWHO-VHSXEESVSA-N -1 0 318.337 0.177 50 0 DCAARM Cc1cnc(C(=O)[N-]N2C(=O)NC3(CCC(C)CC3)C2=O)cn1 ZINC000014093228 302335340 /nfs/dbraw/zinc/33/53/40/302335340.db2.gz ITHFPZXLXHVXDE-UHFFFAOYSA-N -1 0 317.349 0.931 50 0 DCAARM Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@]12C(=O)[O-] ZINC000089499469 302808123 /nfs/dbraw/zinc/80/81/23/302808123.db2.gz KLCOQVAUBXCGFU-HNNXBMFYSA-N -1 0 312.285 0.492 50 0 DCAARM NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000408513518 534334071 /nfs/dbraw/zinc/33/40/71/534334071.db2.gz MQIRSUZOQONHAR-LJLILKBBSA-N -1 0 318.329 0.640 50 0 DCAARM CCO[C@@H]1C[C@@](NC(=O)c2nccnc2N)(C(=O)[O-])C1(C)C ZINC000262688456 520397334 /nfs/dbraw/zinc/39/73/34/520397334.db2.gz BKKAGEQNSUMWGF-XLKFXECMSA-N -1 0 308.338 0.447 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000299742256 526677667 /nfs/dbraw/zinc/67/76/67/526677667.db2.gz AWKLWXYWEXJYLV-GFCCVEGCSA-N -1 0 308.359 0.922 50 0 DCAARM O=C([O-])CNC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000262724286 527612366 /nfs/dbraw/zinc/61/23/66/527612366.db2.gz XVLCSBBRGZIYFQ-UHFFFAOYSA-N -1 0 307.274 0.638 50 0 DCAARM O=C(Cc1cc2c(cc1Cl)OCCO2)NCc1n[nH]c(=O)[n-]1 ZINC000670456208 547097064 /nfs/dbraw/zinc/09/70/64/547097064.db2.gz PJDUEUUQACVSIB-UHFFFAOYSA-N -1 0 324.724 0.794 50 0 DCAARM NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000739168103 599760858 /nfs/dbraw/zinc/76/08/58/599760858.db2.gz RQHKMWOHCZQISQ-RYUDHWBXSA-N -1 0 305.334 0.342 50 0 DCAARM Cc1nc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)ccc1C(=O)[O-] ZINC000888095656 661167059 /nfs/dbraw/zinc/16/70/59/661167059.db2.gz APWZAYMBWOJDSE-QWHCGFSZSA-N -1 0 305.334 0.243 50 0 DCAARM O=C([O-])[C@@]1(F)CN(C(=O)C[C@H]2CCCCO2)CC12COC2 ZINC000888098281 661176757 /nfs/dbraw/zinc/17/67/57/661176757.db2.gz DYKHKWAPYVDJCL-YGRLFVJLSA-N -1 0 301.314 0.597 50 0 DCAARM Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](O)C1 ZINC001704313166 1179970197 /nfs/dbraw/zinc/97/01/97/1179970197.db2.gz GIJZEZWOOXXVHK-WDEREUQCSA-N -1 0 317.338 0.590 50 0 DCAARM O=C([O-])CN(CCc1ccccc1)C(=O)CN1CCOCC1 ZINC000887557296 765327790 /nfs/dbraw/zinc/32/77/90/765327790.db2.gz GZFUZKKKOBVYQK-UHFFFAOYSA-N -1 0 306.362 0.475 50 0 DCAARM COC(=O)c1ccc(CS(=O)(=O)[N-]c2n[nH]nc2C)cc1 ZINC000585129795 766291152 /nfs/dbraw/zinc/29/11/52/766291152.db2.gz WVFXHWLWFVXHMX-UHFFFAOYSA-N -1 0 310.335 0.842 50 0 DCAARM COCCn1cc([N-]S(=O)(=O)c2n[nH]c3ncccc32)cn1 ZINC000952848769 768911190 /nfs/dbraw/zinc/91/11/90/768911190.db2.gz JOYGUQVCJBJVIV-UHFFFAOYSA-N -1 0 322.350 0.602 50 0 DCAARM CC(C)O[N-]C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC000952848072 768911356 /nfs/dbraw/zinc/91/13/56/768911356.db2.gz BDULECDHOLPLMI-OCCSQVGLSA-N -1 0 324.352 0.786 50 0 DCAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000082097390 192355249 /nfs/dbraw/zinc/35/52/49/192355249.db2.gz HVYFQWHFXQKGNL-GFCCVEGCSA-N -1 0 318.381 0.745 50 0 DCAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(C)=O)cc1 ZINC000006856964 190624840 /nfs/dbraw/zinc/62/48/40/190624840.db2.gz HIGRPOBBNIABCX-UHFFFAOYSA-N -1 0 315.376 0.344 50 0 DCAARM O=C([O-])CCNC(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000095424238 185361524 /nfs/dbraw/zinc/36/15/24/185361524.db2.gz GLNHSCGTTYFVOX-UHFFFAOYSA-N -1 0 313.375 0.625 50 0 DCAARM CN(CCC(=O)[O-])C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000268922588 529872706 /nfs/dbraw/zinc/87/27/06/529872706.db2.gz BSGMRWAKCDAAQH-HNNXBMFYSA-N -1 0 319.317 0.288 50 0 DCAARM CCC(=O)N1C[C@H](C(=O)NCc2cccnc2)C[C@H](C(=O)[O-])C1 ZINC000072153137 191058156 /nfs/dbraw/zinc/05/81/56/191058156.db2.gz UCBHQLXFQGFLRA-OLZOCXBDSA-N -1 0 319.361 0.657 50 0 DCAARM COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000001926580 180902089 /nfs/dbraw/zinc/90/20/89/180902089.db2.gz ZBXZZODSQINRIV-BPJJOFIESA-N -1 0 304.346 0.984 50 0 DCAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)[O-] ZINC000004044665 181066808 /nfs/dbraw/zinc/06/68/08/181066808.db2.gz NHKYSERBWAEUMK-SDBXPKJASA-N -1 0 321.285 0.948 50 0 biogenic DCAARM O=C([O-])[C@@H](CC(=O)NCc1ccco1)[NH2+]Cc1cccnc1 ZINC000004116959 181075515 /nfs/dbraw/zinc/07/55/15/181075515.db2.gz YHDFOYHIYSZPLK-CYBMUJFWSA-N -1 0 303.318 0.924 50 0 DCAARM CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000004387740 181105744 /nfs/dbraw/zinc/10/57/44/181105744.db2.gz NWCKNNMVGYSWRY-UHFFFAOYSA-N -1 0 300.336 0.787 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000237778555 202352130 /nfs/dbraw/zinc/35/21/30/202352130.db2.gz YKEMDUFCMRANCV-UFBFGSQYSA-N -1 0 322.283 0.720 50 0 DCAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 ZINC000238082706 202437777 /nfs/dbraw/zinc/43/77/77/202437777.db2.gz SHTNUZONRPDNLM-SNVBAGLBSA-N -1 0 306.318 0.704 50 0 DCAARM O=C([O-])c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2 ZINC000238853957 202451160 /nfs/dbraw/zinc/45/11/60/202451160.db2.gz LUXBSSUTWZVIDX-SNVBAGLBSA-N -1 0 300.318 0.969 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000268958530 238254433 /nfs/dbraw/zinc/25/44/33/238254433.db2.gz WRDZDLLDCYAJAN-UHFFFAOYSA-N -1 0 306.318 0.745 50 0 DCAARM Cc1ccc(-n2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])nn2)cc1 ZINC000268974591 238254716 /nfs/dbraw/zinc/25/47/16/238254716.db2.gz JCCBXXGVJVGJAO-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N)nc2C)C1 ZINC000091433963 193054828 /nfs/dbraw/zinc/05/48/28/193054828.db2.gz AFMABLBBYWFWQL-HNNXBMFYSA-N -1 0 322.365 0.711 50 0 DCAARM Cn1nc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)ccc1=O ZINC000013177052 181836838 /nfs/dbraw/zinc/83/68/38/181836838.db2.gz YOEPKSJFKXDPGA-LBPRGKRZSA-N -1 0 319.292 0.865 50 0 DCAARM COc1ccc(-c2n[n-]c(NN3CCOCC3)nc2=O)cc1 ZINC000016046071 182030173 /nfs/dbraw/zinc/03/01/73/182030173.db2.gz APRARNXVGGHKKK-UHFFFAOYSA-N -1 0 303.322 0.500 50 0 DCAARM O=c1nc(NN2CCOCC2)[n-]nc1Cc1ccc(F)cc1 ZINC000016777515 182060697 /nfs/dbraw/zinc/06/06/97/182060697.db2.gz AJVNHCBRRWMVKK-UHFFFAOYSA-N -1 0 305.313 0.554 50 0 DCAARM CN(C)C(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000019853112 182157289 /nfs/dbraw/zinc/15/72/89/182157289.db2.gz BPKUXPIIJIIFFK-UHFFFAOYSA-N -1 0 307.335 0.541 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2 ZINC000100048861 193793875 /nfs/dbraw/zinc/79/38/75/193793875.db2.gz ZXMSFIQJVKQWGR-GHMZBOCLSA-N -1 0 317.301 0.076 50 0 DCAARM CCOc1cc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)ccc1O ZINC000101347930 193811482 /nfs/dbraw/zinc/81/14/82/193811482.db2.gz LFUXYFINDAGHHT-SECBINFHSA-N -1 0 303.278 0.761 50 0 DCAARM COc1ccccc1OC1CN(C(=O)c2cncc(=O)[nH]2)C1 ZINC000426589922 257245994 /nfs/dbraw/zinc/24/59/94/257245994.db2.gz DPXYTIWZAYCYQS-UHFFFAOYSA-N -1 0 301.302 0.682 50 0 DCAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)c(=O)n(C)c1C ZINC000426530690 257247774 /nfs/dbraw/zinc/24/77/74/257247774.db2.gz BFMMARWKGMIFGF-UHFFFAOYSA-N -1 0 308.334 0.366 50 0 DCAARM COCCn1cnnc1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426444616 257250629 /nfs/dbraw/zinc/25/06/29/257250629.db2.gz ORJKASKBQLLFLA-WDEREUQCSA-N -1 0 310.354 0.084 50 0 DCAARM CC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000011867192 395686956 /nfs/dbraw/zinc/68/69/56/395686956.db2.gz SPJWSHIPSVMOHD-JTQLQIEISA-N -1 0 304.306 0.161 50 0 DCAARM CCOC(=O)CCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O ZINC000012653012 395687881 /nfs/dbraw/zinc/68/78/81/395687881.db2.gz LRXGGOGRSHJYOJ-UHFFFAOYSA-N -1 0 308.382 0.326 50 0 DCAARM CCN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000013367001 395688501 /nfs/dbraw/zinc/68/85/01/395688501.db2.gz XZZMPEGGETUNFT-UHFFFAOYSA-N -1 0 316.354 0.850 50 0 DCAARM CCn1ncc(CN(C)C(=O)c2nn(C)cc2C(=O)[O-])c1C ZINC000020319259 395691127 /nfs/dbraw/zinc/69/11/27/395691127.db2.gz GDOIDSCIVINEEP-UHFFFAOYSA-N -1 0 305.338 0.915 50 0 DCAARM CCOc1ccc(C(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000001907387 395681299 /nfs/dbraw/zinc/68/12/99/395681299.db2.gz HLTHILPJYLTPRZ-UHFFFAOYSA-N -1 0 307.331 0.832 50 0 DCAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003191629 395682240 /nfs/dbraw/zinc/68/22/40/395682240.db2.gz HTUYDXHLCOKELV-UHFFFAOYSA-N -1 0 301.320 0.171 50 0 DCAARM CSCC[C@@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC000036585594 395723441 /nfs/dbraw/zinc/72/34/41/395723441.db2.gz ZPJLOAFUXDERFU-GFCCVEGCSA-N -1 0 322.386 0.965 50 0 DCAARM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037796066 395729093 /nfs/dbraw/zinc/72/90/93/395729093.db2.gz YLCHMDBWABWIIG-SFYZADRCSA-N -1 0 314.319 0.002 50 0 DCAARM CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037838919 395729322 /nfs/dbraw/zinc/72/93/22/395729322.db2.gz ATPJHOMOFFLYRM-NSHDSACASA-N -1 0 312.347 0.284 50 0 DCAARM CSCCc1nc([C@H](C)N2CCCC2=O)n(CC(=O)[O-])n1 ZINC000097492594 395758056 /nfs/dbraw/zinc/75/80/56/395758056.db2.gz BMDWBVVVQATJCU-VIFPVBQESA-N -1 0 312.395 0.952 50 0 DCAARM COC(=O)c1cccc(NC(C)=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000101037953 395763923 /nfs/dbraw/zinc/76/39/23/395763923.db2.gz HCPRJUPKVQDPBG-UHFFFAOYSA-N -1 0 303.274 0.525 50 0 DCAARM O=C([O-])c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 ZINC000048339886 395814326 /nfs/dbraw/zinc/81/43/26/395814326.db2.gz YBKAIMJOQWSOCT-UHFFFAOYSA-N -1 0 309.347 0.950 50 0 DCAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)Nc3nncn32)c1 ZINC000049551744 395833089 /nfs/dbraw/zinc/83/30/89/395833089.db2.gz HWPZTBAAPWZFPQ-VIFPVBQESA-N -1 0 301.262 0.498 50 0 DCAARM CN(C)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])cn1 ZINC000218273144 395842280 /nfs/dbraw/zinc/84/22/80/395842280.db2.gz HZDXHELLYBPCRJ-VXGBXAGGSA-N -1 0 323.349 0.136 50 0 DCAARM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000236711084 395896651 /nfs/dbraw/zinc/89/66/51/395896651.db2.gz CPQHWYASQSYWAC-AWEZNQCLSA-N -1 0 317.345 0.806 50 0 DCAARM CCCc1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)[nH]n1 ZINC000157873161 396064396 /nfs/dbraw/zinc/06/43/96/396064396.db2.gz QPUJRWLCESWXAT-VIFPVBQESA-N -1 0 301.368 0.458 50 0 DCAARM CC(C)c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)[nH]n1 ZINC000157908189 396064578 /nfs/dbraw/zinc/06/45/78/396064578.db2.gz JPAVLSGXIXRXMX-SECBINFHSA-N -1 0 301.368 0.629 50 0 DCAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262083167 396097239 /nfs/dbraw/zinc/09/72/39/396097239.db2.gz DUSPGAKVCKTIDT-CQSZACIVSA-N -1 0 304.281 0.906 50 0 DCAARM CCc1nccn1CC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000072474131 396131372 /nfs/dbraw/zinc/13/13/72/396131372.db2.gz KXHIYYFDVSGYTM-CYBMUJFWSA-N -1 0 303.322 0.379 50 0 DCAARM CC(=O)Nc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F ZINC000262556878 396154810 /nfs/dbraw/zinc/15/48/10/396154810.db2.gz YJEBYGLXTIDHKW-LBPRGKRZSA-N -1 0 310.281 0.710 50 0 DCAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-n2cncn2)nc1)C1CC1 ZINC000262814387 396184745 /nfs/dbraw/zinc/18/47/45/396184745.db2.gz UROMGVJCCIBORW-SECBINFHSA-N -1 0 301.306 0.740 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc21 ZINC000262841982 396186908 /nfs/dbraw/zinc/18/69/08/396186908.db2.gz ZXHWNXSGKCVDGL-CQSZACIVSA-N -1 0 307.281 0.505 50 0 DCAARM Cc1noc(-c2ccccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000262981768 396195290 /nfs/dbraw/zinc/19/52/90/396195290.db2.gz NBFKVUYEQKPBGO-GFCCVEGCSA-N -1 0 317.301 0.971 50 0 DCAARM C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)NC1=O ZINC000262974350 396195333 /nfs/dbraw/zinc/19/53/33/396195333.db2.gz MDJHDMSMHVXBNU-LDYMZIIASA-N -1 0 320.301 0.332 50 0 DCAARM Cc1nnc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)s1 ZINC000584892092 396633939 /nfs/dbraw/zinc/63/39/39/396633939.db2.gz WOYQVWHAELBTJR-SNVBAGLBSA-N -1 0 324.406 0.744 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000299752585 292452194 /nfs/dbraw/zinc/45/21/94/292452194.db2.gz UQNSNGCIJWLELG-LLVKDONJSA-N -1 0 324.308 0.811 50 0 DCAARM O=C([O-])COCC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000006726038 415133060 /nfs/dbraw/zinc/13/30/60/415133060.db2.gz LCAQOBKMSUZOAW-UHFFFAOYSA-N -1 0 306.362 0.475 50 0 DCAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC000269134149 415249311 /nfs/dbraw/zinc/24/93/11/415249311.db2.gz CFWFGKVUIKXBOI-NSHDSACASA-N -1 0 311.359 0.945 50 0 DCAARM CCCc1nc(CN2[N-]S(=O)(=O)c3ccccc3C2=O)no1 ZINC000066409182 415361915 /nfs/dbraw/zinc/36/19/15/415361915.db2.gz NCUKSHYABHOXMK-UHFFFAOYSA-N -1 0 322.346 0.871 50 0 DCAARM Cc1ccccc1[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)N(C)C ZINC000095371055 415555171 /nfs/dbraw/zinc/55/51/71/415555171.db2.gz VUHFSFWCHNUMGS-CYBMUJFWSA-N -1 0 303.366 0.368 50 0 DCAARM Cc1cn2nc(C(=O)N3CCC(C(=O)[O-])CC3)cc2c(=O)[nH]1 ZINC000096032987 415573705 /nfs/dbraw/zinc/57/37/05/415573705.db2.gz DQEBRCCMUYAPJQ-UHFFFAOYSA-N -1 0 304.306 0.268 50 0 DCAARM CC(C)NC(=O)N1CCN(Cc2c[nH]cn2)C[C@@H](C(=O)[O-])C1 ZINC000097522414 415591020 /nfs/dbraw/zinc/59/10/20/415591020.db2.gz RXLGEBZVPZBIPI-LLVKDONJSA-N -1 0 309.370 0.346 50 0 DCAARM Cc1nc([C@@H]2CCOC2)cc(N2CCN(CC(=O)[O-])C(=O)C2)n1 ZINC000299757419 416064571 /nfs/dbraw/zinc/06/45/71/416064571.db2.gz JLYBOJPQSJEYGY-LLVKDONJSA-N -1 0 320.349 0.022 50 0 DCAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@@H]21 ZINC000299765037 416065747 /nfs/dbraw/zinc/06/57/47/416065747.db2.gz ZKOJLLVNCQNPLR-NHAGDIPZSA-N -1 0 316.357 0.926 50 0 DCAARM CN(C)c1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000299802995 416071467 /nfs/dbraw/zinc/07/14/67/416071467.db2.gz ZTTNNEUTOMPSTN-AWEZNQCLSA-N -1 0 306.362 0.997 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1cc(C(F)(F)F)nn1C ZINC000299800855 416071817 /nfs/dbraw/zinc/07/18/17/416071817.db2.gz WASQYRZGMAYTRE-UHFFFAOYSA-N -1 0 309.244 0.612 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCO1 ZINC000583650550 416480280 /nfs/dbraw/zinc/48/02/80/416480280.db2.gz HWUGLMLZYMCFSU-LLVKDONJSA-N -1 0 319.379 0.046 50 0 DCAARM Cn1nc(C(C)(C)C)cc1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784157 418054676 /nfs/dbraw/zinc/05/46/76/418054676.db2.gz KCOXSFUPPNSFLM-UHFFFAOYSA-N -1 0 306.326 0.646 50 0 DCAARM COc1ccc(CNC(=O)[C@@H]2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000299753462 229398114 /nfs/dbraw/zinc/39/81/14/229398114.db2.gz YHFUQAPOPAHWON-LLVKDONJSA-N -1 0 320.345 0.878 50 0 DCAARM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262953377 278476213 /nfs/dbraw/zinc/47/62/13/278476213.db2.gz LLXJMUYBLADWRO-JBLDHEPKSA-N -1 0 317.407 0.911 50 0 DCAARM CC(C)(CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000127004147 278619467 /nfs/dbraw/zinc/61/94/67/278619467.db2.gz OZHZBDLAQWQXME-SECBINFHSA-N -1 0 306.384 0.028 50 0 DCAARM COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)[O-] ZINC000083254792 294921154 /nfs/dbraw/zinc/92/11/54/294921154.db2.gz HPMUHUHXQQFRTF-UHFFFAOYSA-N -1 0 310.125 0.803 50 0 DCAARM COc1ccccc1S([O-])=CC(=O)N[C@H]1CCCCNC1=O ZINC000095394030 295418906 /nfs/dbraw/zinc/41/89/06/295418906.db2.gz NOPORXBWSSPVKK-KPWVOAKYSA-N -1 0 324.402 0.588 50 0 DCAARM Cc1onc(N)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000263081709 302878162 /nfs/dbraw/zinc/87/81/62/302878162.db2.gz RURRPJXJBWSWBX-XPUUQOCRSA-N -1 0 303.340 0.439 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000268931163 534265043 /nfs/dbraw/zinc/26/50/43/534265043.db2.gz AAZHLGCMBFXKMT-CQSZACIVSA-N -1 0 301.306 0.599 50 0 DCAARM CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(=O)[O-])c1 ZINC000261776645 521693241 /nfs/dbraw/zinc/69/32/41/521693241.db2.gz JGYDRUKXTLJCID-UHFFFAOYSA-N -1 0 321.376 0.185 50 0 DCAARM O=C([O-])C1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000238023777 527563464 /nfs/dbraw/zinc/56/34/64/527563464.db2.gz JWFISYPIRDRUOB-UHFFFAOYSA-N -1 0 315.333 0.528 50 0 DCAARM CS(=O)(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000222793313 545942806 /nfs/dbraw/zinc/94/28/06/545942806.db2.gz RQWYGZDDWXDENT-VXGBXAGGSA-N -1 0 315.347 0.470 50 0 DCAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)CC(C)C)CCO1 ZINC000681942426 548330424 /nfs/dbraw/zinc/33/04/24/548330424.db2.gz AHDGSXOTHHKJJI-LBPRGKRZSA-N -1 0 300.355 0.193 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C)nc2C)C1 ZINC000685940975 548746602 /nfs/dbraw/zinc/74/66/02/548746602.db2.gz MNJLXBCYQYXGLD-AAEUAGOBSA-N -1 0 319.361 0.750 50 0 DCAARM Cn1c(=O)c2cccc(Br)c2n(CC(=O)[O-])c1=O ZINC000725261629 548748748 /nfs/dbraw/zinc/74/87/48/548748748.db2.gz NHHYCDZSCGNNPL-UHFFFAOYSA-N -1 0 313.107 0.547 50 0 DCAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)c1scc2c1OCCO2 ZINC000065396720 685062927 /nfs/dbraw/zinc/06/29/27/685062927.db2.gz CXZWYCLFWVOOSS-JGVFFNPUSA-N -1 0 313.331 0.569 50 0 DCAARM Cc1c[nH]c(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c(C)c1=O ZINC001704303216 1179966639 /nfs/dbraw/zinc/96/66/39/1179966639.db2.gz FTEUFYPDGDXIMR-GASCZTMLSA-N -1 0 306.318 0.353 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001704358272 1179984096 /nfs/dbraw/zinc/98/40/96/1179984096.db2.gz HYSUUWFOUXFVFG-RYUDHWBXSA-N -1 0 313.375 0.760 50 0 DCAARM Cn1cc([C@H](NC(=O)CCc2cc(=O)[n-]o2)[C@H]2C[C@@H](O)C2)cn1 ZINC000828870042 759115101 /nfs/dbraw/zinc/11/51/01/759115101.db2.gz NLIMEVKDZNRRCP-BPYAMOTFSA-N -1 0 320.349 0.675 50 0 DCAARM CCCC(=O)[N-]S(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000952847257 768911086 /nfs/dbraw/zinc/91/10/86/768911086.db2.gz JESVFIUXKOMUBQ-NSHDSACASA-N -1 0 317.388 0.761 50 0 DCAARM CCOC(=O)c1[nH]c(C)nc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC000952881647 768948352 /nfs/dbraw/zinc/94/83/52/768948352.db2.gz BSUAVUYFHIRCMR-SSDOTTSWSA-N -1 0 305.356 0.671 50 0 DCAARM Cc1n[nH]cc1CN(C)CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001529158951 1014508928 /nfs/dbraw/zinc/50/89/28/1014508928.db2.gz KRVNKNUZTSIHOB-UHFFFAOYSA-N -1 0 306.322 0.758 50 0 DCAARM CC[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)[O-] ZINC000268942240 529540812 /nfs/dbraw/zinc/54/08/12/529540812.db2.gz SXCLPGXPSGRDEL-MDZLAQPJSA-N -1 0 322.365 0.309 50 0 DCAARM CN1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000095399171 185353735 /nfs/dbraw/zinc/35/37/35/185353735.db2.gz DTLOYTNYDUVIIR-CHWSQXEVSA-N -1 0 304.346 0.667 50 0 DCAARM Cc1cc(CCC(=O)[O-])nc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072344324 191127567 /nfs/dbraw/zinc/12/75/67/191127567.db2.gz FPCQUOWYXMMFOW-LLVKDONJSA-N -1 0 313.379 0.899 50 0 DCAARM Cc1ccc2nc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(F)n2c1 ZINC000072419682 191157449 /nfs/dbraw/zinc/15/74/49/191157449.db2.gz MEUIIRGQHJDTNA-SECBINFHSA-N -1 0 307.281 0.707 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCO1 ZINC000072468911 191175771 /nfs/dbraw/zinc/17/57/71/191175771.db2.gz ZGUGLPSZIMQZFW-LBPRGKRZSA-N -1 0 303.318 0.808 50 0 DCAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000004117650 181075443 /nfs/dbraw/zinc/07/54/43/181075443.db2.gz PAZRNFHBUAVIRN-KBPBESRZSA-N -1 0 306.362 0.959 50 0 biogenic,in-vitro DCAARM C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084657 299213601 /nfs/dbraw/zinc/21/36/01/299213601.db2.gz VFXAXQFWZWULTE-LCWDIZFYSA-N -1 0 306.343 0.846 50 0 biogenic DCAARM CN(C)S(=O)(=O)c1ccc(NCCCC(=O)[O-])c(N)c1 ZINC000005319150 181229047 /nfs/dbraw/zinc/22/90/47/181229047.db2.gz JVVJFZHMFOPCPY-UHFFFAOYSA-N -1 0 301.368 0.796 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)CCn1nnc2ccccc2c1=O ZINC000005442826 181243493 /nfs/dbraw/zinc/24/34/93/181243493.db2.gz PRHSKZHADORVTC-LBPRGKRZSA-N -1 0 316.317 0.257 50 0 DCAARM CC(=O)N[C@H](C)C(=O)NC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000089632195 192830282 /nfs/dbraw/zinc/83/02/82/192830282.db2.gz RJJOIOJOGVQKAP-RISCZKNCSA-N -1 0 306.362 0.879 50 0 DCAARM C[C@@H](NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000237650259 202318729 /nfs/dbraw/zinc/31/87/29/202318729.db2.gz FLPZNYUBFUZPCO-VXGBXAGGSA-N -1 0 323.368 0.926 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CCO1 ZINC000262865603 238182413 /nfs/dbraw/zinc/18/24/13/238182413.db2.gz HYSBDWRRMFRGQS-LBPRGKRZSA-N -1 0 322.292 0.636 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ncccn1)CC2 ZINC000091965975 193133714 /nfs/dbraw/zinc/13/37/14/193133714.db2.gz NFFZORBRQOHQMB-NSHDSACASA-N -1 0 304.350 0.374 50 0 DCAARM Cc1cc(C(=O)NCCc2nc(C(=O)[O-])cs2)cc(=O)[nH]1 ZINC000217512301 201517980 /nfs/dbraw/zinc/51/79/80/201517980.db2.gz CZGILVIXVFAJIX-UHFFFAOYSA-N -1 0 307.331 0.811 50 0 DCAARM CC(=O)c1sc(NC(=O)CCn2[n-]c(=O)ccc2=O)nc1C ZINC000007719262 181489827 /nfs/dbraw/zinc/48/98/27/181489827.db2.gz LUYWFKHOUQYPTH-UHFFFAOYSA-N -1 0 322.346 0.533 50 0 DCAARM Cc1nn(-c2ccccc2)nc1-c1nn(CC(=O)[O-])c(=O)o1 ZINC000020357853 182210958 /nfs/dbraw/zinc/21/09/58/182210958.db2.gz GNUDRDJCJHELIN-UHFFFAOYSA-N -1 0 301.262 0.477 50 0 DCAARM COc1nc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC000038927298 183012707 /nfs/dbraw/zinc/01/27/07/183012707.db2.gz GSZHQQRPVYFNQY-UHFFFAOYSA-N -1 0 311.323 0.272 50 0 DCAARM Cc1cc(N2C[C@@H](C(=O)[O-])CC2=O)ccc1NS(C)(=O)=O ZINC000065463160 184349741 /nfs/dbraw/zinc/34/97/41/184349741.db2.gz HKZSFSZTIJARSM-VIFPVBQESA-N -1 0 312.347 0.804 50 0 DCAARM O=C([O-])c1ccc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)nc1 ZINC000072418089 304246375 /nfs/dbraw/zinc/24/63/75/304246375.db2.gz QESXUVJBWXBCQO-LLVKDONJSA-N -1 0 305.334 0.813 50 0 DCAARM O=C([O-])c1cccc(CC(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000262261225 304259187 /nfs/dbraw/zinc/25/91/87/304259187.db2.gz WSTQYVHSTBENNA-LBPRGKRZSA-N -1 0 311.359 0.621 50 0 DCAARM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000408516217 533212492 /nfs/dbraw/zinc/21/24/92/533212492.db2.gz HLNWOCYKQYGJRG-RNFRBKRXSA-N -1 0 306.365 0.400 50 0 DCAARM Cc1ccc2c(c1)c(CNC(=O)Cc1n[nH]c(=O)[n-]1)nn2C ZINC000426632973 257244938 /nfs/dbraw/zinc/24/49/38/257244938.db2.gz ZIDFFIQEACNELO-UHFFFAOYSA-N -1 0 300.322 0.564 50 0 DCAARM CSCC[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000426441715 257250204 /nfs/dbraw/zinc/25/02/04/257250204.db2.gz GGELMQJGTFUUFD-JTQLQIEISA-N -1 0 321.358 0.859 50 0 DCAARM NC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000012504882 395687785 /nfs/dbraw/zinc/68/77/85/395687785.db2.gz ZNWYUCVQMPQAPA-UHFFFAOYSA-N -1 0 312.347 0.271 50 0 DCAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000013320521 395688561 /nfs/dbraw/zinc/68/85/61/395688561.db2.gz PGLQBYMUSHKMEA-NWINJMCUSA-N -1 0 310.394 0.572 50 0 DCAARM COc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)c(OC)c1 ZINC000003000011 395682022 /nfs/dbraw/zinc/68/20/22/395682022.db2.gz GYFTYGRYVYKBQJ-UHFFFAOYSA-N -1 0 306.318 0.913 50 0 DCAARM CC(C)[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000032077298 395709117 /nfs/dbraw/zinc/70/91/17/395709117.db2.gz VNECGDXUFNPBGK-HNNXBMFYSA-N -1 0 320.393 0.429 50 0 DCAARM C[C@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000089900619 395716526 /nfs/dbraw/zinc/71/65/26/395716526.db2.gz DTYDEIMMLQIROJ-LLVKDONJSA-N -1 0 311.382 0.751 50 0 DCAARM CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037837240 395729503 /nfs/dbraw/zinc/72/95/03/395729503.db2.gz XHZWYLGPDIDHNZ-UHFFFAOYSA-N -1 0 314.363 0.661 50 0 DCAARM CCc1noc(C)c1C(=O)N1CCc2c([n-]n(CCO)c2=O)C1 ZINC000097654006 395759658 /nfs/dbraw/zinc/75/96/58/395759658.db2.gz JDIZSZGPNSCJGU-UHFFFAOYSA-N -1 0 320.349 0.226 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100639779 395763691 /nfs/dbraw/zinc/76/36/91/395763691.db2.gz KNLOLCCCXCVSNW-GHMZBOCLSA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3CC)c(=O)c1-2 ZINC000100998007 395763820 /nfs/dbraw/zinc/76/38/20/395763820.db2.gz LEYBITBXYNKQLF-NEPJUHHUSA-N -1 0 315.329 0.629 50 0 DCAARM Cc1ccn(CCC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])n1 ZINC000220083411 395847760 /nfs/dbraw/zinc/84/77/60/395847760.db2.gz ZWAVDSJXECEVEO-GFCCVEGCSA-N -1 0 303.322 0.343 50 0 DCAARM CCCCn1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1=O ZINC000236727462 395896438 /nfs/dbraw/zinc/89/64/38/395896438.db2.gz GSPJGKANKOASTC-NSHDSACASA-N -1 0 307.350 0.980 50 0 DCAARM O=C([O-])[C@H]1CCCN1CC(=O)NCCOc1ccc(F)cc1 ZINC000238092554 395921560 /nfs/dbraw/zinc/92/15/60/395921560.db2.gz QPPXMRGAYRNUMQ-CYBMUJFWSA-N -1 0 310.325 0.870 50 0 DCAARM Cc1noc(C)c1[C@H]1CCCN1C(=O)Cn1[n-]c(=O)ccc1=O ZINC000067955021 396040199 /nfs/dbraw/zinc/04/01/99/396040199.db2.gz APPAPTHGTAJKHK-LLVKDONJSA-N -1 0 318.333 0.917 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000261747596 396062034 /nfs/dbraw/zinc/06/20/34/396062034.db2.gz ORDZTCRWOIRTAN-YPMHNXCESA-N -1 0 324.377 0.480 50 0 DCAARM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)[S@](C)=O ZINC000169176160 396090373 /nfs/dbraw/zinc/09/03/73/396090373.db2.gz OSXNKHXKALDGIP-NTCNTBNZSA-N -1 0 305.377 0.430 50 0 DCAARM O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000169785273 396092594 /nfs/dbraw/zinc/09/25/94/396092594.db2.gz KWXVEEJMODNQFY-VIFPVBQESA-N -1 0 311.342 0.907 50 0 DCAARM Cc1noc(-c2ccc(N3CCC(O)(C(=O)[O-])CC3)nc2)n1 ZINC000071613966 396114611 /nfs/dbraw/zinc/11/46/11/396114611.db2.gz LYHVPICBSBADHY-UHFFFAOYSA-N -1 0 304.306 0.856 50 0 DCAARM Cc1cc(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)no1 ZINC000069386713 396076457 /nfs/dbraw/zinc/07/64/57/396076457.db2.gz MDKNFKNHRIAXSR-UHFFFAOYSA-N -1 0 315.333 0.795 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)NC[C@@H]1CCCc2ccccc21 ZINC000069391503 396077413 /nfs/dbraw/zinc/07/74/13/396077413.db2.gz SXAICJDAVGSIOS-ZDUSSCGKSA-N -1 0 313.357 0.773 50 0 DCAARM Cn1c2ccccc2n(CC(=O)[N-]O[C@@H]2CCCCO2)c1=O ZINC000069415181 396078321 /nfs/dbraw/zinc/07/83/21/396078321.db2.gz VIZJKEKFXGBQKD-CQSZACIVSA-N -1 0 305.334 0.914 50 0 DCAARM CN1N=C(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCC1=O ZINC000261952181 396083671 /nfs/dbraw/zinc/08/36/71/396083671.db2.gz NFZTYIAQWTUZRZ-LLVKDONJSA-N -1 0 321.255 0.460 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)CN2CCCCCCC2=O)CCO1 ZINC000262706027 396174216 /nfs/dbraw/zinc/17/42/16/396174216.db2.gz DFXBETRAFVGVRH-LBPRGKRZSA-N -1 0 312.366 0.481 50 0 DCAARM Cn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]cnc2C(=O)[O-])C1 ZINC000299766019 396714429 /nfs/dbraw/zinc/71/44/29/396714429.db2.gz ZJVXEECVWIUHKV-SECBINFHSA-N -1 0 303.322 0.861 50 0 DCAARM COCCn1cc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cn1 ZINC000626760076 397234204 /nfs/dbraw/zinc/23/42/04/397234204.db2.gz DBWJQKJCPSJPOV-DGCLKSJQSA-N -1 0 324.381 0.782 50 0 DCAARM Cc1nc(=NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s[n-]1 ZINC000578090447 397389910 /nfs/dbraw/zinc/38/99/10/397389910.db2.gz LGKXUDJOJUFQDH-UWVGGRQHSA-N -1 0 304.441 0.788 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@@H]1c1ccccc1 ZINC000262803721 158841239 /nfs/dbraw/zinc/84/12/39/158841239.db2.gz CVKVCUFPZHUNMD-MGPQQGTHSA-N -1 0 305.330 0.729 50 0 DCAARM COC[C@@](C)(NC(=O)c1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC000262058668 287127867 /nfs/dbraw/zinc/12/78/67/287127867.db2.gz GQLRHTWNIXBXIY-CQSZACIVSA-N -1 0 304.306 0.487 50 0 DCAARM O=C([O-])COCC(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000044980304 415241631 /nfs/dbraw/zinc/24/16/31/415241631.db2.gz KHFXIUWYSVDYAH-UHFFFAOYSA-N -1 0 303.318 0.632 50 0 DCAARM CC(C)[C@@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)[O-] ZINC000071328952 415411196 /nfs/dbraw/zinc/41/11/96/415411196.db2.gz MEOQJBOKADSING-CQSZACIVSA-N -1 0 319.317 0.729 50 0 DCAARM CC(C)c1cc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])no1 ZINC000095370554 415551620 /nfs/dbraw/zinc/55/16/20/415551620.db2.gz DIEZZENGKAOBJY-QMMMGPOBSA-N -1 0 318.351 0.416 50 0 DCAARM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCS(=O)(=O)C1 ZINC000111472644 415696564 /nfs/dbraw/zinc/69/65/64/415696564.db2.gz BQICIBVXOIQTKT-VWYCJHECSA-N -1 0 303.380 0.523 50 0 DCAARM Cc1c(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)cnn1C ZINC000299799587 416071191 /nfs/dbraw/zinc/07/11/91/416071191.db2.gz TYRJLTJEQZIZHR-GXSJLCMTSA-N -1 0 318.337 0.177 50 0 DCAARM COc1cccc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000263375784 416338008 /nfs/dbraw/zinc/33/80/08/416338008.db2.gz ASFWHLPLIVYLTF-LBPRGKRZSA-N -1 0 306.318 0.501 50 0 DCAARM O=C(C[C@H]1NC(=O)NC1=O)NCCc1nc2c(s1)CCCC2 ZINC000215305385 416327023 /nfs/dbraw/zinc/32/70/23/416327023.db2.gz MSXAWJQDGKIVQB-SECBINFHSA-N -1 0 322.390 0.279 50 0 DCAARM NC(=O)c1cc(F)c(F)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000451080438 417299871 /nfs/dbraw/zinc/29/98/71/417299871.db2.gz CQONBWATSGRPJN-SSDOTTSWSA-N -1 0 320.317 0.984 50 0 DCAARM O=S(=O)(Cc1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000575314503 417526973 /nfs/dbraw/zinc/52/69/73/417526973.db2.gz PZDOHCPVKUWGMW-GFCCVEGCSA-N -1 0 307.379 0.909 50 0 DCAARM CC[C@@](C)(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000263295559 287389416 /nfs/dbraw/zinc/38/94/16/287389416.db2.gz SISSINDJXRVPNY-JOYOIKCWSA-N -1 0 303.380 0.571 50 0 DCAARM O=C([O-])Cn1cc(NC(=O)CN2CCCCCCC2=O)cn1 ZINC000647745923 418049243 /nfs/dbraw/zinc/04/92/43/418049243.db2.gz VOLGGGVXHXWHAX-UHFFFAOYSA-N -1 0 308.338 0.699 50 0 DCAARM NC(=O)c1cccc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000299746868 229389020 /nfs/dbraw/zinc/38/90/20/229389020.db2.gz BMGSKZKZCLFWMO-CYBMUJFWSA-N -1 0 320.345 0.881 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000214511561 261152530 /nfs/dbraw/zinc/15/25/30/261152530.db2.gz JCYYVDHWWUKKNA-UMBAGQNISA-N -1 0 313.741 0.707 50 0 DCAARM Cc1c([O-])nc(SCC(N)=O)n(-c2ccc(F)cc2)c1=O ZINC000000512078 262530498 /nfs/dbraw/zinc/53/04/98/262530498.db2.gz KZJWCKAVPODRSZ-UHFFFAOYSA-N -1 0 309.322 0.963 50 0 DCAARM CN1N=C(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCC1=O ZINC000262563066 290314792 /nfs/dbraw/zinc/31/47/92/290314792.db2.gz VZLKMCOGBVPRAR-ZDUSSCGKSA-N -1 0 315.329 0.633 50 0 DCAARM COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c1OC ZINC000001236595 295297687 /nfs/dbraw/zinc/29/76/87/295297687.db2.gz IVXJAXDNDTZWLE-NSHDSACASA-N -1 0 308.334 0.479 50 0 DCAARM C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC000269174654 297654697 /nfs/dbraw/zinc/65/46/97/297654697.db2.gz JAOXJDALUZVXST-QWRGUYRKSA-N -1 0 318.329 0.734 50 0 DCAARM Cc1nccnc1N1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000091876506 302716922 /nfs/dbraw/zinc/71/69/22/302716922.db2.gz FWVAPXQLXZYVDC-NSHDSACASA-N -1 0 304.350 0.687 50 0 DCAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C2CC2)CC1 ZINC000055312121 302869870 /nfs/dbraw/zinc/86/98/70/302869870.db2.gz RGYUZYIBVGENBH-UHFFFAOYSA-N -1 0 314.363 0.755 50 0 DCAARM Cn1ccc(-c2cc(=O)n(-c3ccc(S(N)(=O)=O)cc3)[n-]2)n1 ZINC000006925540 302951350 /nfs/dbraw/zinc/95/13/50/302951350.db2.gz DPUWTMGHQPANSM-UHFFFAOYSA-N -1 0 319.346 0.209 50 0 DCAARM CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000262258181 520543116 /nfs/dbraw/zinc/54/31/16/520543116.db2.gz FRJCQJIVPUSBGK-UHFFFAOYSA-N -1 0 321.376 0.233 50 0 DCAARM CCn1nc(C)c(S(=O)(=O)[N-]c2nc3ncccn3n2)c1C ZINC000266390318 523658599 /nfs/dbraw/zinc/65/85/99/523658599.db2.gz ZXTLLNCZSBERIW-UHFFFAOYSA-N -1 0 321.366 0.758 50 0 DCAARM CC(C)(C)c1noc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000299753639 526900315 /nfs/dbraw/zinc/90/03/15/526900315.db2.gz YWENLHJPAZITFD-SECBINFHSA-N -1 0 311.338 0.612 50 0 DCAARM NC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCC(=O)[O-])c1 ZINC000262184693 527025894 /nfs/dbraw/zinc/02/58/94/527025894.db2.gz FZEVSKQLHMENCD-UHFFFAOYSA-N -1 0 320.754 0.582 50 0 DCAARM O=C(CC[C@@H]1NC(=O)NC1=O)N1CC(Oc2ccccc2)C1 ZINC000216032328 545938935 /nfs/dbraw/zinc/93/89/35/545938935.db2.gz MRYNIZYZDLWVQB-LBPRGKRZSA-N -1 0 303.318 0.264 50 0 DCAARM Cn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 ZINC000670464160 547098995 /nfs/dbraw/zinc/09/89/95/547098995.db2.gz SHBFHUXXSZDSEB-SNVBAGLBSA-N -1 0 323.378 0.484 50 0 DCAARM CCc1nc(CN(C)Cc2cc(=O)n3nc(C)[n-]c3n2)no1 ZINC000670469352 547100339 /nfs/dbraw/zinc/10/03/39/547100339.db2.gz KICONZKBWJGOJB-UHFFFAOYSA-N -1 0 303.326 0.716 50 0 DCAARM O=C([O-])[C@@H](NC(=O)N1CCCN(c2ncccn2)CC1)C1CC1 ZINC000670473300 547101321 /nfs/dbraw/zinc/10/13/21/547101321.db2.gz IOYTZBHZPAPDTM-LBPRGKRZSA-N -1 0 319.365 0.562 50 0 DCAARM Cc1cccc2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cn21 ZINC000170000947 663447417 /nfs/dbraw/zinc/44/74/17/663447417.db2.gz HWBYMWNRWKJNDL-NSHDSACASA-N -1 0 303.318 0.958 50 0 DCAARM Cc1cccc2nc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cn21 ZINC000170000943 663447457 /nfs/dbraw/zinc/44/74/57/663447457.db2.gz HWBYMWNRWKJNDL-LLVKDONJSA-N -1 0 303.318 0.958 50 0 DCAARM NC(=O)CC1CCN(S(=O)(=O)c2cc(F)ccc2[O-])CC1 ZINC000952992172 685602532 /nfs/dbraw/zinc/60/25/32/685602532.db2.gz BGDIBMOGOMLFTF-UHFFFAOYSA-N -1 0 316.354 0.807 50 0 DCAARM CC(C)(C)NC(=O)CN1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001529125555 1014501423 /nfs/dbraw/zinc/50/14/23/1014501423.db2.gz PHUSPEQTJQMESQ-UHFFFAOYSA-N -1 0 321.381 0.212 50 0 DCAARM CC[C@@H](NC(=O)Cn1[n-]nnc1=N)c1ccc(OC)c(OC)c1 ZINC001506407959 1017258155 /nfs/dbraw/zinc/25/81/55/1017258155.db2.gz UHWXEUVMHCIMLR-SNVBAGLBSA-N -1 0 320.353 0.370 50 0 DCAARM CCOC(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000079067697 185153210 /nfs/dbraw/zinc/15/32/10/185153210.db2.gz GVBYXGZCGYNRSN-UHFFFAOYSA-N -1 0 305.294 0.596 50 0 DCAARM CCN1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000070156368 190864285 /nfs/dbraw/zinc/86/42/85/190864285.db2.gz KXLJHOOALMQECN-UHFFFAOYSA-N -1 0 304.393 0.773 50 0 DCAARM C[C@H](NC(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O)C(=O)[O-] ZINC000237471537 186294537 /nfs/dbraw/zinc/29/45/37/186294537.db2.gz YYBCKEGMIRULQZ-CPCISQLKSA-N -1 0 312.272 0.907 50 0 DCAARM CCOC(=O)C[C@H](c1cnn(C)c1)c1oc(CO)cc(=O)c1O ZINC000072324580 191123350 /nfs/dbraw/zinc/12/33/50/191123350.db2.gz HJGKCHPONZSXHS-LLVKDONJSA-N -1 0 322.317 0.656 50 0 biogenic DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)CCc1cc(Cl)no1 ZINC000072481001 191181307 /nfs/dbraw/zinc/18/13/07/191181307.db2.gz PRQQLDREDXYSNL-MRVPVSSYSA-N -1 0 302.714 0.963 50 0 DCAARM COc1ccc(OCCNC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000004324884 181097874 /nfs/dbraw/zinc/09/78/74/181097874.db2.gz KYNPQIWQYPKDAD-UHFFFAOYSA-N -1 0 317.301 0.992 50 0 DCAARM NS(=O)(=O)c1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000004324932 181098066 /nfs/dbraw/zinc/09/80/66/181098066.db2.gz SUOPBYMZIWGWDM-UHFFFAOYSA-N -1 0 304.349 0.090 50 0 DCAARM Cc1ccccc1CSc1nnc(CCC(=O)[O-])c(=O)n1N ZINC000004854831 181163847 /nfs/dbraw/zinc/16/38/47/181163847.db2.gz ZRRCNZZVAIFZBV-UHFFFAOYSA-N -1 0 320.374 0.970 50 0 DCAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)o1 ZINC000238054149 202430438 /nfs/dbraw/zinc/43/04/38/202430438.db2.gz JVFDNQKDNUYCGJ-LURJTMIESA-N -1 0 320.223 0.871 50 0 DCAARM O=C([O-])CCNC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000238178889 202447880 /nfs/dbraw/zinc/44/78/80/202447880.db2.gz KTLCFRVUWXZRKD-MRVPVSSYSA-N -1 0 312.272 0.909 50 0 DCAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262830656 238183205 /nfs/dbraw/zinc/18/32/05/238183205.db2.gz RZLGZAUKXZYHQG-SDDRHHMPSA-N -1 0 301.339 0.273 50 0 DCAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262830657 238183853 /nfs/dbraw/zinc/18/38/53/238183853.db2.gz RZLGZAUKXZYHQG-SRVKXCTJSA-N -1 0 301.339 0.273 50 0 DCAARM C/C(=C\C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000006316996 181329405 /nfs/dbraw/zinc/32/94/05/181329405.db2.gz PETODDKGLWJDAX-CMDGGOBGSA-N -1 0 312.347 0.024 50 0 DCAARM CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1nnn[n-]1 ZINC000091819154 193112105 /nfs/dbraw/zinc/11/21/05/193112105.db2.gz FYBZLROTMWDHHV-MNOVXSKESA-N -1 0 308.386 0.539 50 0 DCAARM CNc1ncc(C(=O)N2CCC[C@](CCOC)(C(=O)[O-])C2)cn1 ZINC000091908072 193124496 /nfs/dbraw/zinc/12/44/96/193124496.db2.gz LEPHLYBSUQFAEA-OAHLLOKOSA-N -1 0 322.365 0.862 50 0 DCAARM CC1(C)C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000567799508 291378368 /nfs/dbraw/zinc/37/83/68/291378368.db2.gz RUFCZZNIJNUCRR-UWVGGRQHSA-N -1 0 306.384 0.327 50 0 DCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CSCC1=O ZINC000268888257 304151915 /nfs/dbraw/zinc/15/19/15/304151915.db2.gz DDNBQYJIICROLI-LBPRGKRZSA-N -1 0 320.370 0.557 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)NC2(C(=O)[O-])CC2)oc1C ZINC000282930646 217332937 /nfs/dbraw/zinc/33/29/37/217332937.db2.gz TYRUHITUXJOFEM-UHFFFAOYSA-N -1 0 303.292 0.270 50 0 DCAARM O=C([O-])c1cn2nc(NCCCN3CCOCC3)ccc2n1 ZINC000019872817 182159273 /nfs/dbraw/zinc/15/92/73/182159273.db2.gz BXMSPGHDKLEIII-UHFFFAOYSA-N -1 0 305.338 0.562 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cncc(Br)c2)CCO1 ZINC000043700887 183381952 /nfs/dbraw/zinc/38/19/52/183381952.db2.gz UXIXHXDDCCHWLU-SECBINFHSA-N -1 0 315.123 0.770 50 0 DCAARM O=C([O-])COCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000044980088 183473427 /nfs/dbraw/zinc/47/34/27/183473427.db2.gz GJYKHMPOGJNQFA-UHFFFAOYSA-N -1 0 317.305 0.715 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C(N)=O ZINC000062132651 184207924 /nfs/dbraw/zinc/20/79/24/184207924.db2.gz PGKQEISEQGOCBJ-SECBINFHSA-N -1 0 312.347 0.189 50 0 DCAARM O=C([O-])c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011755498 304250315 /nfs/dbraw/zinc/25/03/15/304250315.db2.gz VOGQTOLEXZHGSD-SNVBAGLBSA-N -1 0 304.345 0.346 50 0 DCAARM Cc1cc(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@H]2C)cc(C)n1 ZINC000426494324 257248620 /nfs/dbraw/zinc/24/86/20/257248620.db2.gz GLSKPZIRWHLGRH-LLVKDONJSA-N -1 0 305.334 0.456 50 0 DCAARM CSC[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)C(=O)[O-] ZINC000426428323 257250252 /nfs/dbraw/zinc/25/02/52/257250252.db2.gz MVUYFMUDJJTKHN-JTQLQIEISA-N -1 0 308.363 0.961 50 0 DCAARM Cc1cc(=O)n2nc(CC(=O)NCCc3ccccc3)[n-]c2n1 ZINC000009306034 395685282 /nfs/dbraw/zinc/68/52/82/395685282.db2.gz YYMULLHYXQDSJI-UHFFFAOYSA-N -1 0 311.345 0.627 50 0 DCAARM COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000013027863 395688357 /nfs/dbraw/zinc/68/83/57/395688357.db2.gz UABKTQZGZKBZPC-JTQLQIEISA-N -1 0 315.347 0.942 50 0 DCAARM COc1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])cc(OC)c1 ZINC000001236589 395680724 /nfs/dbraw/zinc/68/07/24/395680724.db2.gz RXOCYZSKLDMEMZ-CYBMUJFWSA-N -1 0 308.334 0.479 50 0 DCAARM C[C@@H](CN(C)S(=O)(=O)Cc1ccc(F)cc1)c1nnn[n-]1 ZINC000097097275 395755196 /nfs/dbraw/zinc/75/51/96/395755196.db2.gz MDYGMSULNAPEMY-VIFPVBQESA-N -1 0 313.358 0.904 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000100905248 395763912 /nfs/dbraw/zinc/76/39/12/395763912.db2.gz TYIZLMGPWRYNPD-NEPJUHHUSA-N -1 0 315.329 0.629 50 0 DCAARM O=C([O-])c1cccc(OCCNC(=O)CN2CCC[C@H](O)C2)c1 ZINC000218889068 395843983 /nfs/dbraw/zinc/84/39/83/395843983.db2.gz BSNBXAYTDFBSLX-ZDUSSCGKSA-N -1 0 322.361 0.337 50 0 DCAARM Cc1cccc(OCC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])c1 ZINC000222408498 395852852 /nfs/dbraw/zinc/85/28/52/395852852.db2.gz WQEDPUUTGMLADP-ZIAGYGMSSA-N -1 0 323.345 0.749 50 0 DCAARM COCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)o1 ZINC000170649742 396097248 /nfs/dbraw/zinc/09/72/48/396097248.db2.gz MMSUTXYSDQQHGG-UHFFFAOYSA-N -1 0 300.292 0.674 50 0 DCAARM CNS(=O)(=O)c1cc(NC(=O)C2(C(=O)[O-])CC2)ccc1C ZINC000262246249 396114553 /nfs/dbraw/zinc/11/45/53/396114553.db2.gz BGKQGOKWFCMBKO-UHFFFAOYSA-N -1 0 312.347 0.706 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1coc(Br)c1 ZINC000262343972 396127943 /nfs/dbraw/zinc/12/79/43/396127943.db2.gz ZGHRKJDSFDBXDB-SSDOTTSWSA-N -1 0 304.096 0.968 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@H]1c1ccncc1 ZINC000069348601 396076129 /nfs/dbraw/zinc/07/61/29/396076129.db2.gz QXTPPKMERUWSSL-LBPRGKRZSA-N -1 0 300.318 0.295 50 0 DCAARM C[C@H](C(=O)[O-])C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000263211152 396206074 /nfs/dbraw/zinc/20/60/74/396206074.db2.gz ZBQWSLQIYDTQIW-JTQLQIEISA-N -1 0 305.334 0.155 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)CCO1 ZINC000262807288 396183835 /nfs/dbraw/zinc/18/38/35/396183835.db2.gz SRPMFHNPUCROSA-NSHDSACASA-N -1 0 302.290 0.193 50 0 DCAARM Cc1cccc(-n2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)nn2)c1 ZINC000262902279 396190759 /nfs/dbraw/zinc/19/07/59/396190759.db2.gz BPASJKGICRIJEC-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC000183441324 396269979 /nfs/dbraw/zinc/26/99/79/396269979.db2.gz AVIZVCPGVVQAAS-MNOVXSKESA-N -1 0 320.397 0.553 50 0 DCAARM C[C@@H]1C[C@H](C(=O)NCCc2cccc(C(N)=O)c2)O[C@H]1C(=O)[O-] ZINC000630117765 396943998 /nfs/dbraw/zinc/94/39/98/396943998.db2.gz SNRGBOGCFZWOAH-OASPWFOLSA-N -1 0 320.345 0.322 50 0 DCAARM NC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCO1 ZINC000606441958 397680912 /nfs/dbraw/zinc/68/09/12/397680912.db2.gz RFSSXBFSRTXZKM-RYBZSIHZSA-N -1 0 304.302 0.111 50 0 DCAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc[n+]([O-])c1)C2=O ZINC000022023949 415152556 /nfs/dbraw/zinc/15/25/56/415152556.db2.gz HRIZDFJRPJDKEO-UHFFFAOYSA-N -1 0 318.333 0.466 50 0 DCAARM CC1(C)O[C@H]2O[C@H](COCC(=O)[O-])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000004028586 415131356 /nfs/dbraw/zinc/13/13/56/415131356.db2.gz OFECXDXQSFHKBA-NBIDRCSRSA-N -1 0 318.322 0.484 50 0 biogenic DCAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC000269189797 415247829 /nfs/dbraw/zinc/24/78/29/415247829.db2.gz NPLHMMIMNQQLLD-GFCCVEGCSA-N -1 0 300.318 0.873 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000048374703 415290642 /nfs/dbraw/zinc/29/06/42/415290642.db2.gz JBZIFVFBXIZKEC-JTQLQIEISA-N -1 0 324.358 0.664 50 0 DCAARM CCn1c(=O)[nH]nc1[C@@H]1CCCN(Cc2c[nH]nc2C(=O)[O-])C1 ZINC000067695651 415385359 /nfs/dbraw/zinc/38/53/59/415385359.db2.gz LRMMFVMUOXKRNI-SECBINFHSA-N -1 0 320.353 0.392 50 0 DCAARM CC(C)[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)C(=O)[O-] ZINC000156305903 415998433 /nfs/dbraw/zinc/99/84/33/415998433.db2.gz PZUFULMJPJFUHM-CQSZACIVSA-N -1 0 319.361 0.956 50 0 DCAARM COCCN(Cc1ccccn1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000215444784 416327005 /nfs/dbraw/zinc/32/70/05/416327005.db2.gz YZUJFJSLBFQDTD-UHFFFAOYSA-N -1 0 304.306 0.792 50 0 DCAARM CN(C[C@H](O)CO)c1ccnc(-c2cccc(C(=O)[O-])c2)n1 ZINC000216217274 416327471 /nfs/dbraw/zinc/32/74/71/416327471.db2.gz NJZMJCZBZLAFJV-LBPRGKRZSA-N -1 0 303.318 0.631 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 ZINC000376789409 417038154 /nfs/dbraw/zinc/03/81/54/417038154.db2.gz HQHUIMININDBFQ-JTQLQIEISA-N -1 0 314.301 1.032 50 0 DCAARM CC1(C)OC[C@H]2C[C@]21NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000530153316 417545631 /nfs/dbraw/zinc/54/56/31/417545631.db2.gz NZNYICISRGTEGJ-KBUNVGBDSA-N -1 0 318.376 0.687 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCO1 ZINC000299743119 229379288 /nfs/dbraw/zinc/37/92/88/229379288.db2.gz LXGOLYQGJRBAQY-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM COCCN1C(=O)C[C@@](CC(=O)[O-])(c2ccccc2F)C1=O ZINC000299789566 229444465 /nfs/dbraw/zinc/44/44/65/229444465.db2.gz ZPGQWRVMIZAOBT-OAHLLOKOSA-N -1 0 309.293 0.944 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000214511612 261152687 /nfs/dbraw/zinc/15/26/87/261152687.db2.gz JCYYVDHWWUKKNA-XOULXFPDSA-N -1 0 313.741 0.707 50 0 DCAARM CC1CCC(NC(=O)C[C@@H]2CCS(=O)(=O)C2)(C(=O)[O-])CC1 ZINC000036870767 281752978 /nfs/dbraw/zinc/75/29/78/281752978.db2.gz ZVEAHXGOOWMVJP-CVZZAPKMSA-N -1 0 317.407 0.961 50 0 DCAARM CO[N-]C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000025823855 293371968 /nfs/dbraw/zinc/37/19/68/293371968.db2.gz FZXPHCDVZRQVNP-HNNXBMFYSA-N -1 0 303.318 0.448 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CCOC[C@@H]3CC(=O)[O-])cc21 ZINC000263293733 302891880 /nfs/dbraw/zinc/89/18/80/302891880.db2.gz LZIRJFBBDNGTHD-JTQLQIEISA-N -1 0 319.317 0.182 50 0 DCAARM CN1C[C@H](C(=O)NC2(C(=O)[O-])CCOCC2)Oc2ccccc21 ZINC000534584240 334289264 /nfs/dbraw/zinc/28/92/64/334289264.db2.gz YUIUOKPMJPPHBU-CYBMUJFWSA-N -1 0 320.345 0.634 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000262409875 534504286 /nfs/dbraw/zinc/50/42/86/534504286.db2.gz CWCSWWWPVCWXBU-CYBMUJFWSA-N -1 0 316.317 0.583 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000268964810 534539583 /nfs/dbraw/zinc/53/95/83/534539583.db2.gz CDVIMNQRXVOJBM-CQSZACIVSA-N -1 0 315.329 0.727 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 ZINC000238046651 527659793 /nfs/dbraw/zinc/65/97/93/527659793.db2.gz GQANNTCCHPEGPP-LBPRGKRZSA-N -1 0 301.306 0.742 50 0 DCAARM C[C@@](O)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000090276943 545715736 /nfs/dbraw/zinc/71/57/36/545715736.db2.gz LIGXCSMHYVIVBD-SNVBAGLBSA-N -1 0 311.718 0.593 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)NCc1ccccc1 ZINC000222673560 545941953 /nfs/dbraw/zinc/94/19/53/545941953.db2.gz DHTRZFFXXOCJSH-CHWSQXEVSA-N -1 0 308.334 0.745 50 0 DCAARM C[C@@]1(NC(=O)Cc2cccc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC000262104571 604676599 /nfs/dbraw/zinc/67/65/99/604676599.db2.gz DVELFDODJIWQSJ-CQSZACIVSA-N -1 0 311.359 0.621 50 0 DCAARM CN1CCO[C@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000888096218 661173261 /nfs/dbraw/zinc/17/32/61/661173261.db2.gz NXMCWACJIACVJR-GJZGRUSLSA-N -1 0 318.373 0.859 50 0 DCAARM O=C([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C(=O)[O-])[C@H](O)C2)cc1 ZINC001704313469 1179970207 /nfs/dbraw/zinc/97/02/07/1179970207.db2.gz QDYKBKVMKHFBKD-UONOGXRCSA-N -1 0 323.345 0.921 50 0 DCAARM Cn1nc([N-]S(C)(=O)=O)c2c1CCN(C(=O)C1CCC1)C2 ZINC000675021948 748028189 /nfs/dbraw/zinc/02/81/89/748028189.db2.gz UPCLLXKPTLKVNE-UHFFFAOYSA-N -1 0 312.395 0.476 50 0 DCAARM N=c1nn[n-]n1CC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000952868828 768925006 /nfs/dbraw/zinc/92/50/06/768925006.db2.gz HPMGLKBCVOSHIE-LLVKDONJSA-N -1 0 322.394 0.355 50 0 DCAARM CCOc1ccc([C@H](C)NC(=O)Cn2[n-]nnc2=N)cc1F ZINC001506410826 1017259914 /nfs/dbraw/zinc/25/99/14/1017259914.db2.gz UOKZUMXYGFVWAA-QMMMGPOBSA-N -1 0 308.317 0.501 50 0 DCAARM CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)Cn1[n-]nnc1=N ZINC001506423739 1017266740 /nfs/dbraw/zinc/26/67/40/1017266740.db2.gz ZPNSINPZPYGIKD-UHFFFAOYSA-N -1 0 318.366 0.196 50 0 DCAARM CC(C)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000087492517 185226407 /nfs/dbraw/zinc/22/64/07/185226407.db2.gz IXVSFQIZBUBJFJ-NSHDSACASA-N -1 0 314.363 0.421 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1c(=O)[nH]c2ccccc21 ZINC000095424210 185361459 /nfs/dbraw/zinc/36/14/59/185361459.db2.gz GSODGPHCZXNFKE-GFCCVEGCSA-N -1 0 303.318 0.795 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000299394394 530027408 /nfs/dbraw/zinc/02/74/08/530027408.db2.gz LDOGYSZYSYKJKP-MRVPVSSYSA-N -1 0 316.335 0.125 50 0 DCAARM Cc1ccc(F)c(S(=O)(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000071746700 191020134 /nfs/dbraw/zinc/02/01/34/191020134.db2.gz PQTMCMHCFWRCJD-UHFFFAOYSA-N -1 0 317.338 0.734 50 0 DCAARM Cc1c(C(=O)[O-])nnn1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000071768136 191028626 /nfs/dbraw/zinc/02/86/26/191028626.db2.gz YMJQGXYAPVZJEX-UHFFFAOYSA-N -1 0 318.289 0.695 50 0 DCAARM Cc1c(C(=O)N2CC(c3ccccn3)C2)cnc2cc(=O)[n-]n21 ZINC000072152268 191057543 /nfs/dbraw/zinc/05/75/43/191057543.db2.gz QOXVVKYDGYNXRM-UHFFFAOYSA-N -1 0 309.329 0.966 50 0 DCAARM Cn1c2ccccc2n(CC(=O)N2CCC(C(=O)[O-])CC2)c1=O ZINC000072280581 191101312 /nfs/dbraw/zinc/10/13/12/191101312.db2.gz QRMCLOUDVYSFDW-UHFFFAOYSA-N -1 0 317.345 0.663 50 0 DCAARM C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC000237472170 186294437 /nfs/dbraw/zinc/29/44/37/186294437.db2.gz PDFCIRQNAQSECB-YUMQZZPRSA-N -1 0 312.272 0.907 50 0 DCAARM Cc1nc[nH]c1C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072419759 191156773 /nfs/dbraw/zinc/15/67/73/191156773.db2.gz GVUQVLQHVJIJEB-UHFFFAOYSA-N -1 0 317.349 0.978 50 0 DCAARM CCC(=O)Nc1nnc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1 ZINC000072438161 191165805 /nfs/dbraw/zinc/16/58/05/191165805.db2.gz HTMGUHNKLGMNLQ-SSDOTTSWSA-N -1 0 320.396 0.344 50 0 DCAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1cnn2ccccc12 ZINC000072440251 191167547 /nfs/dbraw/zinc/16/75/47/191167547.db2.gz PYIVMJKKXDCHDA-CYBMUJFWSA-N -1 0 311.301 0.882 50 0 DCAARM CCCS(=O)(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072447501 191168624 /nfs/dbraw/zinc/16/86/24/191168624.db2.gz HQVIHFMTMDOAFH-UHFFFAOYSA-N -1 0 301.368 0.499 50 0 DCAARM O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000001576138 180874527 /nfs/dbraw/zinc/87/45/27/180874527.db2.gz OJJIMQSJQYRZLT-LBPRGKRZSA-N -1 0 306.318 0.988 50 0 DCAARM O=C([O-])C[C@H](C(=O)OCCOc1ccccc1)N1CCOCC1 ZINC000002245319 180917175 /nfs/dbraw/zinc/91/71/75/180917175.db2.gz NUXGOEHWNHKBDV-CQSZACIVSA-N -1 0 323.345 0.784 50 0 DCAARM CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000003327106 181006230 /nfs/dbraw/zinc/00/62/30/181006230.db2.gz IIRUALMFSFVLCB-UHFFFAOYSA-N -1 0 312.347 0.238 50 0 DCAARM CC[C@@H](C)n1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000005247721 181221130 /nfs/dbraw/zinc/22/11/30/181221130.db2.gz DUVJYCHUUZJLHR-ZCFIWIBFSA-N -1 0 312.351 0.571 50 0 DCAARM COCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000092046655 193147170 /nfs/dbraw/zinc/14/71/70/193147170.db2.gz XKFAJCKLFMHJHK-WDEREUQCSA-N -1 0 307.302 0.688 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000299743170 304135484 /nfs/dbraw/zinc/13/54/84/304135484.db2.gz MGFSKRLXZSGOEP-LBPRGKRZSA-N -1 0 302.286 0.866 50 0 DCAARM CCN1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000095194676 193424453 /nfs/dbraw/zinc/42/44/53/193424453.db2.gz WNHRICUVGBEETI-UHFFFAOYSA-N -1 0 305.378 0.742 50 0 DCAARM CCc1nc(N2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)[O-])C2)ncc1C ZINC000096164611 193559260 /nfs/dbraw/zinc/55/92/60/193559260.db2.gz PECRYAFHIHIUEE-LRDDRELGSA-N -1 0 318.377 0.717 50 0 DCAARM CO[N-]C(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000097212486 193691642 /nfs/dbraw/zinc/69/16/42/193691642.db2.gz JJOAFGLSWPSTQG-JTQLQIEISA-N -1 0 309.347 0.278 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000013787873 304171911 /nfs/dbraw/zinc/17/19/11/304171911.db2.gz MMZUYMRACDCOMP-JEPNRXRBSA-N -1 0 301.302 0.213 50 0 DCAARM CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)[O-])cc1 ZINC000020199486 182197012 /nfs/dbraw/zinc/19/70/12/182197012.db2.gz IIJYQKQXUGLWRV-QMMMGPOBSA-N -1 0 300.336 0.787 50 0 DCAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NC[C@H]2CCCO2)C1=O ZINC000020333062 182208923 /nfs/dbraw/zinc/20/89/23/182208923.db2.gz DYPMZRYQWSEXKI-KPMWUXBGSA-N -1 0 309.366 0.908 50 0 DCAARM CCOC(=O)C1CCN(C(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000020614493 182238707 /nfs/dbraw/zinc/23/87/07/182238707.db2.gz ITVKAQMPJZJXMM-UHFFFAOYSA-N -1 0 309.322 0.534 50 0 DCAARM CCOC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100625972 193802660 /nfs/dbraw/zinc/80/26/60/193802660.db2.gz NBWBGCIYAWBDIF-RYUDHWBXSA-N -1 0 302.290 0.543 50 0 DCAARM COc1cc2c(cc1OC)C1=NNC(=O)[C@H](CC(=O)[O-])N1C=N2 ZINC000032824464 182668583 /nfs/dbraw/zinc/66/85/83/182668583.db2.gz CTCQTWOUVPZSDE-VIFPVBQESA-N -1 0 318.289 0.314 50 0 DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000088376740 304200998 /nfs/dbraw/zinc/20/09/98/304200998.db2.gz MFRVWHRJVWTJIY-SECBINFHSA-N -1 0 323.729 0.953 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)[O-] ZINC000061719110 184185354 /nfs/dbraw/zinc/18/53/54/184185354.db2.gz MEOQJBOKADSING-AWEZNQCLSA-N -1 0 319.317 0.729 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N(Cc2csc(N3CCOCC3)n2)C1 ZINC000065462238 184348937 /nfs/dbraw/zinc/34/89/37/184348937.db2.gz YIPMLQQJXUVEEM-VIFPVBQESA-N -1 0 311.363 0.413 50 0 DCAARM O=C(COC[C@H]1CCCCO1)NC1(C(=O)[O-])CCOCC1 ZINC000426628946 257244773 /nfs/dbraw/zinc/24/47/73/257244773.db2.gz ZYKDOLXOJKLOAI-LLVKDONJSA-N -1 0 301.339 0.322 50 0 DCAARM CN1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1=O ZINC000426640346 257245470 /nfs/dbraw/zinc/24/54/70/257245470.db2.gz DWUCAIBOYQZWJD-ZDUSSCGKSA-N -1 0 317.345 0.392 50 0 DCAARM Cc1cc(C(F)(F)F)nc(CNC(=O)Cc2n[nH]c(=O)[n-]2)n1 ZINC000426403417 257251521 /nfs/dbraw/zinc/25/15/21/257251521.db2.gz ASJCIZDTEIUPFP-UHFFFAOYSA-N -1 0 316.243 0.486 50 0 DCAARM NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003227040 257267112 /nfs/dbraw/zinc/26/71/12/257267112.db2.gz YFVYALDTWIYJTM-SECBINFHSA-N -1 0 320.754 0.337 50 0 DCAARM Cc1cc(C)n(CCCNC(=O)c2nn(C)cc2C(=O)[O-])n1 ZINC000012397574 395687634 /nfs/dbraw/zinc/68/76/34/395687634.db2.gz OFSCNGQVTWVKON-UHFFFAOYSA-N -1 0 305.338 0.752 50 0 DCAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCC(N)=O ZINC000000053686 395679748 /nfs/dbraw/zinc/67/97/48/395679748.db2.gz ZKBJCVHWLYBQIN-QPUJVOFHSA-N -1 0 312.347 0.348 50 0 DCAARM CCOC(=O)[C@H](Sc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000000116806 395679858 /nfs/dbraw/zinc/67/98/58/395679858.db2.gz UUZFYUQGEKHKRL-SECBINFHSA-N -1 0 307.331 0.855 50 0 DCAARM Cc1ccc2c(C)nc(NC3=N[C@@H](CC(=O)[O-])C(=O)N3)nc2c1 ZINC000000261080 395680227 /nfs/dbraw/zinc/68/02/27/395680227.db2.gz IXYGMUZUDQMGLB-NSHDSACASA-N -1 0 313.317 0.988 50 0 biogenic DCAARM O=C([O-])CN1C(=O)S[C@@H](CC(=O)Nc2nccs2)C1=O ZINC000001889460 395681282 /nfs/dbraw/zinc/68/12/82/395681282.db2.gz MMCKQJDWAUYXKX-YFKPBYRVSA-N -1 0 315.332 0.620 50 0 DCAARM COc1cccc(/C=C2\NC(=S)NC2=O)c1OCC(=O)[O-] ZINC000002978198 395682113 /nfs/dbraw/zinc/68/21/13/395682113.db2.gz NCRIEBLTDDUQBB-YVMONPNESA-N -1 0 308.315 0.504 50 0 DCAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036611034 395723828 /nfs/dbraw/zinc/72/38/28/395723828.db2.gz ZFIUTISUNPNCGM-BDAKNGLRSA-N -1 0 308.338 0.831 50 0 DCAARM CCC[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000036836901 395724930 /nfs/dbraw/zinc/72/49/30/395724930.db2.gz UQMHCVVEGHPLDX-SFYZADRCSA-N -1 0 310.272 0.767 50 0 DCAARM Cc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1C(N)=O ZINC000037420004 395727185 /nfs/dbraw/zinc/72/71/85/395727185.db2.gz DIASUBQOHXQBRS-UHFFFAOYSA-N -1 0 314.363 0.579 50 0 DCAARM CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037502203 395727863 /nfs/dbraw/zinc/72/78/63/395727863.db2.gz LQYHOUPQVYHVAA-UHFFFAOYSA-N -1 0 314.363 0.517 50 0 DCAARM O=C([O-])[C@H]1CN(Cc2c[nH]cn2)CCN(C(=O)c2ccc[nH]2)C1 ZINC000097301314 395757205 /nfs/dbraw/zinc/75/72/05/395757205.db2.gz YTVWPDXNWVYKPT-NSHDSACASA-N -1 0 317.349 0.397 50 0 DCAARM CC(C)NC(=O)N1CCN(Cc2c[nH]cn2)C[C@H](C(=O)[O-])C1 ZINC000097522411 395758758 /nfs/dbraw/zinc/75/87/58/395758758.db2.gz RXLGEBZVPZBIPI-NSHDSACASA-N -1 0 309.370 0.346 50 0 DCAARM O=C(NCCCO)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613677 395763240 /nfs/dbraw/zinc/76/32/40/395763240.db2.gz HTRHYOOVUFKSIL-UHFFFAOYSA-N -1 0 302.330 0.766 50 0 biogenic DCAARM CCc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100857539 395763813 /nfs/dbraw/zinc/76/38/13/395763813.db2.gz NCEUTQXYMUSLCC-WDEREUQCSA-N -1 0 301.302 0.239 50 0 DCAARM CC(=O)Nc1ccc(NC(C)=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000101074601 395764157 /nfs/dbraw/zinc/76/41/57/395764157.db2.gz ODXRJVRJADITGB-UHFFFAOYSA-N -1 0 302.290 0.697 50 0 DCAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000111403381 395808131 /nfs/dbraw/zinc/80/81/31/395808131.db2.gz GMLXTBXWPIAMQU-LBPRGKRZSA-N -1 0 311.359 0.478 50 0 DCAARM O=C([O-])CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000049544029 395832583 /nfs/dbraw/zinc/83/25/83/395832583.db2.gz AKVCGMFNXIBPTJ-UHFFFAOYSA-N -1 0 305.265 0.250 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cccn1C1CC1 ZINC000222458177 395852662 /nfs/dbraw/zinc/85/26/62/395852662.db2.gz SEQGJODUDAFPRT-DGCLKSJQSA-N -1 0 308.334 0.812 50 0 DCAARM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000135178872 395937884 /nfs/dbraw/zinc/93/78/84/395937884.db2.gz KMFFTNXHWDHDAO-CABZTGNLSA-N -1 0 311.359 0.630 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccccc1 ZINC000253430801 396028825 /nfs/dbraw/zinc/02/88/25/396028825.db2.gz FXRQIEWVIHANIY-ZDUSSCGKSA-N -1 0 312.391 0.748 50 0 DCAARM O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649807 396097236 /nfs/dbraw/zinc/09/72/36/396097236.db2.gz UJRGOXICYCAGPI-NSHDSACASA-N -1 0 302.352 0.970 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)o1 ZINC000262212716 396111489 /nfs/dbraw/zinc/11/14/89/396111489.db2.gz SHCPIKAFZNMYHV-SECBINFHSA-N -1 0 304.324 0.027 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000071280288 396111647 /nfs/dbraw/zinc/11/16/47/396111647.db2.gz BWONXPRRGAISFT-QWRGUYRKSA-N -1 0 301.306 0.958 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1coc(Br)c1 ZINC000262343974 396127585 /nfs/dbraw/zinc/12/75/85/396127585.db2.gz ZGHRKJDSFDBXDB-ZETCQYMHSA-N -1 0 304.096 0.968 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000262444147 396140157 /nfs/dbraw/zinc/14/01/57/396140157.db2.gz GLLPZMUNKWXGNU-NSHDSACASA-N -1 0 322.346 0.314 50 0 DCAARM CCO[C@@H]1C[C@](NC(=O)[C@@H]2COCCO2)(C(=O)[O-])C1(C)C ZINC000262765332 396180112 /nfs/dbraw/zinc/18/01/12/396180112.db2.gz GILVDIDZINPVLH-RBZYPMLTSA-N -1 0 301.339 0.176 50 0 DCAARM C[C@H](CC(=O)[O-])NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000262834531 396186288 /nfs/dbraw/zinc/18/62/88/396186288.db2.gz YGBLPAWRNXTCDX-GLEZIHRCSA-N -1 0 319.317 0.334 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCO1 ZINC000262869475 396188366 /nfs/dbraw/zinc/18/83/66/396188366.db2.gz XLDSIZYSCUABDI-LBPRGKRZSA-N -1 0 318.329 0.345 50 0 DCAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262913285 396191589 /nfs/dbraw/zinc/19/15/89/396191589.db2.gz CZOYLPDGFGYWJN-LLVKDONJSA-N -1 0 318.333 0.580 50 0 DCAARM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000263287822 396212143 /nfs/dbraw/zinc/21/21/43/396212143.db2.gz YGNOZKWULSTJEH-AGIUHOORSA-N -1 0 320.393 0.985 50 0 DCAARM C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@H](C(=O)[O-])C2)NC1=O ZINC000262974346 396195329 /nfs/dbraw/zinc/19/53/29/396195329.db2.gz MDJHDMSMHVXBNU-KWQFWETISA-N -1 0 320.301 0.332 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCO1 ZINC000262969517 396195526 /nfs/dbraw/zinc/19/55/26/396195526.db2.gz LKWKHQBQWYVGBT-LBPRGKRZSA-N -1 0 306.318 0.592 50 0 DCAARM C[C@H]1CN(c2ccnc(C(=O)NCCC(=O)[O-])c2)C[C@H](C)O1 ZINC000263566747 396220694 /nfs/dbraw/zinc/22/06/94/396220694.db2.gz GFGWKEYIILAKKB-QWRGUYRKSA-N -1 0 307.350 0.900 50 0 DCAARM COc1ccccc1OCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268968947 396379584 /nfs/dbraw/zinc/37/95/84/396379584.db2.gz FTESZDXSDPTZMJ-NSHDSACASA-N -1 0 309.318 0.776 50 0 DCAARM Cc1c(NS(=O)(=O)N2CCCCCC2)c(C(=O)[O-])nn1C ZINC000585136414 396641525 /nfs/dbraw/zinc/64/15/25/396641525.db2.gz FCNZVAJFAYGSEL-UHFFFAOYSA-N -1 0 316.383 0.959 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492114260 397512738 /nfs/dbraw/zinc/51/27/38/397512738.db2.gz AQHKWXPGOGFUQB-DTRQGZQOSA-N -1 0 319.313 0.783 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCn1nc2ccccn2c1=O ZINC000136494093 158342943 /nfs/dbraw/zinc/34/29/43/158342943.db2.gz BHWFVAIOMFAARI-NSHDSACASA-N -1 0 318.333 0.352 50 0 DCAARM COCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000081242 415125810 /nfs/dbraw/zinc/12/58/10/415125810.db2.gz JLWQXBVCSILUQT-UHFFFAOYSA-N -1 0 322.346 0.862 50 0 DCAARM CCOC(=O)N1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000000608636 415126021 /nfs/dbraw/zinc/12/60/21/415126021.db2.gz NKDQVIWRNQEBNL-NWDGAFQWSA-N -1 0 310.350 0.954 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000268991205 415249626 /nfs/dbraw/zinc/24/96/26/415249626.db2.gz SXCUOCHETHEFIJ-CYBMUJFWSA-N -1 0 316.317 0.252 50 0 DCAARM C[C@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1n[nH]c(=O)[n-]1 ZINC000095356264 415551529 /nfs/dbraw/zinc/55/15/29/415551529.db2.gz QOCQEOKRBZYKKX-QMMMGPOBSA-N -1 0 311.305 0.441 50 0 DCAARM COc1cccc([C@@H](C(=O)[O-])N2CCN(C(C)=O)CC2)c1OC ZINC000095365636 415553258 /nfs/dbraw/zinc/55/32/58/415553258.db2.gz OBUCBNFGSIGHKG-AWEZNQCLSA-N -1 0 322.361 0.994 50 0 DCAARM Cc1[nH+]c(N)nc(N2CCC[C@@H](C(=O)[O-])C2)c1CCC(=O)[O-] ZINC000095368106 415554681 /nfs/dbraw/zinc/55/46/81/415554681.db2.gz DQWSQXIORBKIFC-SECBINFHSA-N -1 0 308.338 0.685 50 0 DCAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000095949213 415565732 /nfs/dbraw/zinc/56/57/32/415565732.db2.gz CPWBMHNICCVBMT-PWSUYJOCSA-N -1 0 313.398 0.996 50 0 DCAARM CC(C)c1cc(CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)no1 ZINC000299757014 416064814 /nfs/dbraw/zinc/06/48/14/416064814.db2.gz GREYRRISGSQIEB-UHFFFAOYSA-N -1 0 306.322 0.376 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)CCO3)CCO1 ZINC000314961718 416111758 /nfs/dbraw/zinc/11/17/58/416111758.db2.gz OKQUJHCDIUWANO-CTGSTSKSSA-N -1 0 303.314 0.947 50 0 DCAARM COCCN(Cc1cnn(C)c1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000215173833 416326903 /nfs/dbraw/zinc/32/69/03/416326903.db2.gz LRDWFWIKIDDICN-UHFFFAOYSA-N -1 0 307.310 0.130 50 0 DCAARM Cc1cc(C(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)cc(=O)[nH]1 ZINC000215251232 416327150 /nfs/dbraw/zinc/32/71/50/416327150.db2.gz HEEQNJVHAIUHEF-UHFFFAOYSA-N -1 0 314.345 0.316 50 0 DCAARM O=C([O-])[C@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000237954247 416329281 /nfs/dbraw/zinc/32/92/81/416329281.db2.gz VTNSLJHFCXXXSE-ZDUSSCGKSA-N -1 0 306.362 0.978 50 0 DCAARM Cc1sc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000408513520 417166102 /nfs/dbraw/zinc/16/61/02/417166102.db2.gz NJJOSLFWSJMNSR-ZETCQYMHSA-N -1 0 318.376 0.393 50 0 DCAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nnnn1-c1ccccc1 ZINC000299750752 229394449 /nfs/dbraw/zinc/39/44/49/229394449.db2.gz OGMJPGYQNWTKOG-LSJOCFKGSA-N -1 0 301.306 0.560 50 0 DCAARM CC1CCC(NC(=O)C[C@H]2CCS(=O)(=O)C2)(C(=O)[O-])CC1 ZINC000036870768 281753052 /nfs/dbraw/zinc/75/30/52/281753052.db2.gz ZVEAHXGOOWMVJP-IQLKVPPVSA-N -1 0 317.407 0.961 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCN(C)CC2)C1 ZINC000091830603 292661423 /nfs/dbraw/zinc/66/14/23/292661423.db2.gz UKGWNYFOEIUJGB-HNNXBMFYSA-N -1 0 313.398 0.557 50 0 DCAARM CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000016033744 288884174 /nfs/dbraw/zinc/88/41/74/288884174.db2.gz YKGNFQSXCHNISB-AXFHLTTASA-N -1 0 303.380 0.523 50 0 DCAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000261676604 297658095 /nfs/dbraw/zinc/65/80/95/297658095.db2.gz HQMQLXIYIDTYAV-RWSFTLGLSA-N -1 0 321.329 0.917 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000062913613 300784015 /nfs/dbraw/zinc/78/40/15/300784015.db2.gz ANCKDWVQDFBFKI-MFKMUULPSA-N -1 0 318.395 0.124 50 0 DCAARM CCCc1nc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)no1 ZINC000534583490 334290091 /nfs/dbraw/zinc/29/00/91/334290091.db2.gz UOCUAWGBHDKQQB-JTQLQIEISA-N -1 0 322.365 0.924 50 0 DCAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262830658 534117044 /nfs/dbraw/zinc/11/70/44/534117044.db2.gz RZLGZAUKXZYHQG-TUAOUCFPSA-N -1 0 301.339 0.273 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCO1 ZINC000262872959 534504360 /nfs/dbraw/zinc/50/43/60/534504360.db2.gz XXDIUGGRRGCIFW-NWDGAFQWSA-N -1 0 301.339 0.274 50 0 DCAARM O=C(Cc1nnn[n-]1)NN=Cc1ccc(Br)cc1 ZINC000252615873 545975057 /nfs/dbraw/zinc/97/50/57/545975057.db2.gz JWJFYTRXLSOUEZ-UHFFFAOYSA-N -1 0 309.127 0.655 50 0 DCAARM Cc1noc(C)c1S(=O)(=O)NCCn1ccn2nccc12 ZINC000206745945 563637990 /nfs/dbraw/zinc/63/79/90/563637990.db2.gz LBUGRYJLGJUECB-UHFFFAOYSA-N -1 0 309.351 0.719 50 0 DCAARM O=C([N-]S(=O)(=O)CC1CCOCC1)c1cc(C2CC2)n[nH]1 ZINC000170007258 563902555 /nfs/dbraw/zinc/90/25/55/563902555.db2.gz LDLDUEXCXLSDDC-UHFFFAOYSA-N -1 0 313.379 0.773 50 0 DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1c[nH]c2ccccc21 ZINC000888099546 661178686 /nfs/dbraw/zinc/17/86/86/661178686.db2.gz PTFNBKPNBRGMHD-NSHDSACASA-N -1 0 310.331 0.642 50 0 DCAARM CCc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)s1 ZINC001704339285 1179979267 /nfs/dbraw/zinc/97/92/67/1179979267.db2.gz QAXQPWZPDXNYSR-UWVGGRQHSA-N -1 0 319.404 0.767 50 0 DCAARM COc1ccc2[nH]c(CCN(C)C(=O)c3n[nH]c(=O)[n-]3)nc2c1 ZINC001506429070 1017272640 /nfs/dbraw/zinc/27/26/40/1017272640.db2.gz UJWRXBASCRJPDU-UHFFFAOYSA-N -1 0 316.321 0.710 50 0 DCAARM CNC(=O)c1nnsc1-c1n[n-]n(-c2ccccc2)c1=O ZINC000101386948 290636480 /nfs/dbraw/zinc/63/64/80/290636480.db2.gz PHBNDXZGTUOAIV-UHFFFAOYSA-N -1 0 302.319 0.851 50 0 DCAARM CC[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C(=O)[O-] ZINC000268942233 529550998 /nfs/dbraw/zinc/55/09/98/529550998.db2.gz SXCLPGXPSGRDEL-GMXVVIOVSA-N -1 0 322.365 0.309 50 0 DCAARM Cc1nc(CCC(=O)[O-])cc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000072343988 191127842 /nfs/dbraw/zinc/12/78/42/191127842.db2.gz DSXYSOHYKDPIOD-LBPRGKRZSA-N -1 0 313.379 0.899 50 0 DCAARM CC(=O)c1c(C)nn(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000072458781 191172454 /nfs/dbraw/zinc/17/24/54/191172454.db2.gz VYEDGSQVRLCTEJ-LLVKDONJSA-N -1 0 309.322 0.015 50 0 DCAARM Cn1ncc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1-n1cccc1 ZINC000174441180 198335781 /nfs/dbraw/zinc/33/57/81/198335781.db2.gz FLDFTIAXZGEYQG-LLVKDONJSA-N -1 0 318.333 0.527 50 0 DCAARM CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)[O-] ZINC000003913936 181058133 /nfs/dbraw/zinc/05/81/33/181058133.db2.gz SCMSYZJDIQPSDI-SRVKXCTJSA-N -1 0 314.382 0.532 50 0 aggregator,in-vitro DCAARM COC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1 ZINC000004959694 181179723 /nfs/dbraw/zinc/17/97/23/181179723.db2.gz NCQGYWLUJPYOMO-UHFFFAOYSA-N -1 0 324.318 0.463 50 0 DCAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000050922029 304059033 /nfs/dbraw/zinc/05/90/33/304059033.db2.gz RVBVHJFUHDPWOX-MNOVXSKESA-N -1 0 303.380 0.667 50 0 DCAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCCOc1cccc(F)c1 ZINC000262672230 238178796 /nfs/dbraw/zinc/17/87/96/238178796.db2.gz SCYDWHNQYUHDLK-ZDUSSCGKSA-N -1 0 310.325 0.870 50 0 DCAARM Cc1ccc([C@H](C(=O)NCCc2n[nH]c(=O)[n-]2)N(C)C)cc1 ZINC000219043195 201549934 /nfs/dbraw/zinc/54/99/34/201549934.db2.gz YWGHNOXYJAQFBJ-CYBMUJFWSA-N -1 0 303.366 0.368 50 0 DCAARM CCCCc1c(C)nc2[n-]c(C(=O)N3CCOCC3)nn2c1=O ZINC000017112530 182075444 /nfs/dbraw/zinc/07/54/44/182075444.db2.gz PQMMDQDUVPQQPI-UHFFFAOYSA-N -1 0 319.365 0.953 50 0 DCAARM CC(NCCO)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020332157 182208373 /nfs/dbraw/zinc/20/83/73/182208373.db2.gz OVCIKEIAFBBBDV-ZRDIBKRKSA-N -1 0 303.318 0.121 50 0 DCAARM COc1cc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc(OC)c1O ZINC000101675779 193834336 /nfs/dbraw/zinc/83/43/36/193834336.db2.gz ZQVFQQLKHZZYOM-MRVPVSSYSA-N -1 0 319.277 0.379 50 0 DCAARM COCCN1C[C@H](C(=O)NC(C)(C)CCC(=O)[O-])CC1=O ZINC000050195692 183776473 /nfs/dbraw/zinc/77/64/73/183776473.db2.gz XGQLMMGLBHVTGS-SNVBAGLBSA-N -1 0 300.355 0.241 50 0 DCAARM COC(=O)c1cc2n(n1)CCN(C(=O)CCc1cc(=O)[n-]o1)C2 ZINC000065462746 184349142 /nfs/dbraw/zinc/34/91/42/184349142.db2.gz GFAMODMAAJLDDU-UHFFFAOYSA-N -1 0 320.305 0.338 50 0 DCAARM COCCN1C[C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)CC1=O ZINC000299744680 532989010 /nfs/dbraw/zinc/98/90/10/532989010.db2.gz UDYSNEUQJSGYND-CXQJBGSLSA-N -1 0 312.366 0.241 50 0 DCAARM O=C([O-])c1ccccc1CC(=O)NCCNc1ncccn1 ZINC000044980440 304268199 /nfs/dbraw/zinc/26/81/99/304268199.db2.gz CVXNYQBOXVNIDE-UHFFFAOYSA-N -1 0 300.318 0.946 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)COCc1ccccc1 ZINC000378725777 257242029 /nfs/dbraw/zinc/24/20/29/257242029.db2.gz TYRNZOFYPKAVHK-ZDUSSCGKSA-N -1 0 303.318 0.738 50 0 DCAARM CCCc1nnsc1C(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000316954881 257242044 /nfs/dbraw/zinc/24/20/44/257242044.db2.gz BOYCVMUQWFRVSO-SNVBAGLBSA-N -1 0 321.362 0.865 50 0 DCAARM CN1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1=O ZINC000426640345 257245232 /nfs/dbraw/zinc/24/52/32/257245232.db2.gz DWUCAIBOYQZWJD-CYBMUJFWSA-N -1 0 317.345 0.392 50 0 DCAARM O=C(Cc1n[nH]c(=O)[n-]1)NCc1nncn1C1CCCCC1 ZINC000426495571 257248186 /nfs/dbraw/zinc/24/81/86/257248186.db2.gz DYZNOUXEUSNNBA-UHFFFAOYSA-N -1 0 305.342 0.466 50 0 DCAARM Cc1ccoc1C(=O)N1CCN(c2ncccn2)C[C@@H]1C(=O)[O-] ZINC000071762554 257270558 /nfs/dbraw/zinc/27/05/58/257270558.db2.gz SIHPVEADOLKWAH-LLVKDONJSA-N -1 0 316.317 0.794 50 0 DCAARM CC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000008554101 395684816 /nfs/dbraw/zinc/68/48/16/395684816.db2.gz DUFWDHWYTSCRGW-WQLSENKSSA-N -1 0 317.301 0.487 50 0 DCAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000013320519 395688592 /nfs/dbraw/zinc/68/85/92/395688592.db2.gz PGLQBYMUSHKMEA-CLRIEMFWSA-N -1 0 310.394 0.572 50 0 DCAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCC(N)=O ZINC000000053684 395679629 /nfs/dbraw/zinc/67/96/29/395679629.db2.gz ZKBJCVHWLYBQIN-PRHODGIISA-N -1 0 312.347 0.348 50 0 DCAARM Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)N2CCCCC2)n1 ZINC000000230003 395680066 /nfs/dbraw/zinc/68/00/66/395680066.db2.gz BQEQDKOWCNCSED-UHFFFAOYSA-N -1 0 313.383 0.946 50 0 DCAARM O=C([O-])CCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000002197800 395681462 /nfs/dbraw/zinc/68/14/62/395681462.db2.gz PLNOYWRLIFDSRN-UHFFFAOYSA-N -1 0 304.306 0.163 50 0 DCAARM O=C([N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000003124746 395682342 /nfs/dbraw/zinc/68/23/42/395682342.db2.gz LFSLEZFXBFWJEN-SNVBAGLBSA-N -1 0 318.376 0.325 50 0 DCAARM CNS(=O)(=O)c1cc(O)c2c(cccc2S(=O)(=O)[O-])c1 ZINC000003191757 395682344 /nfs/dbraw/zinc/68/23/44/395682344.db2.gz LUKUOCAHHNULJI-UHFFFAOYSA-N -1 0 317.344 0.700 50 0 DCAARM Nc1nc(SCCO)[n-]c(=O)c1NC(=O)c1ccccc1 ZINC000005078203 395682672 /nfs/dbraw/zinc/68/26/72/395682672.db2.gz OGKZFPNYLUBAGE-UHFFFAOYSA-N -1 0 306.347 0.689 50 0 DCAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)NC2=O)cc1OC ZINC000007977273 395683832 /nfs/dbraw/zinc/68/38/32/395683832.db2.gz IBLZVUUAQBXWHV-UHFFFAOYSA-N -1 0 305.290 0.756 50 0 DCAARM CC(=O)N[C@@H](C)C(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000089632199 395713749 /nfs/dbraw/zinc/71/37/49/395713749.db2.gz RJJOIOJOGVQKAP-SMDDNHRTSA-N -1 0 306.362 0.879 50 0 DCAARM CN(CC(=O)NC1CC1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000032885524 395714387 /nfs/dbraw/zinc/71/43/87/395714387.db2.gz PNKRYRHXNSGPCY-UHFFFAOYSA-N -1 0 318.376 0.345 50 0 DCAARM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037796068 395728957 /nfs/dbraw/zinc/72/89/57/395728957.db2.gz YLCHMDBWABWIIG-HTQZYQBOSA-N -1 0 314.319 0.002 50 0 DCAARM CN(C)C(=O)N1C[C@@H]2CN(Cc3cscn3)C[C@]2(C(=O)[O-])C1 ZINC000096130891 395745651 /nfs/dbraw/zinc/74/56/51/395745651.db2.gz PENYFDIMJNUGFP-HZMBPMFUSA-N -1 0 324.406 0.643 50 0 DCAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1C1(Cn2cccn2)CC1 ZINC000097499639 395758726 /nfs/dbraw/zinc/75/87/26/395758726.db2.gz QYABGAKYJXWLNK-NSHDSACASA-N -1 0 317.349 0.795 50 0 DCAARM CC(C)(C)OC(=O)NCCOCCOCCOCC(=O)[O-] ZINC000098213229 395762165 /nfs/dbraw/zinc/76/21/65/395762165.db2.gz IFSMYFLQPDFUOI-UHFFFAOYSA-N -1 0 307.343 0.646 50 0 DCAARM CCOc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100052823 395762569 /nfs/dbraw/zinc/76/25/69/395762569.db2.gz ABJLXTGNYKZUFN-QWRGUYRKSA-N -1 0 317.301 0.076 50 0 DCAARM CCOc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000100062375 395762702 /nfs/dbraw/zinc/76/27/02/395762702.db2.gz UMDBHGHZVHNQDX-MNOVXSKESA-N -1 0 317.301 0.076 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000100165777 395762913 /nfs/dbraw/zinc/76/29/13/395762913.db2.gz IQTJYXGILGFVMQ-ZYHUDNBSSA-N -1 0 318.285 0.503 50 0 DCAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000101007904 395763802 /nfs/dbraw/zinc/76/38/02/395763802.db2.gz COJFVEBCHFRABB-GXSJLCMTSA-N -1 0 316.273 0.461 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2nc3c(cc2=O)CCCC3)C1 ZINC000049545534 395832678 /nfs/dbraw/zinc/83/26/78/395832678.db2.gz CSZQUVBUUSLCJK-LBPRGKRZSA-N -1 0 319.361 0.445 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)COCc1ccccc1 ZINC000219246035 395844681 /nfs/dbraw/zinc/84/46/81/395844681.db2.gz INCIGFLARZMDEA-KGLIPLIRSA-N -1 0 323.345 0.578 50 0 DCAARM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccsc1 ZINC000252479639 396020159 /nfs/dbraw/zinc/02/01/59/396020159.db2.gz BJBATGZFRUTXQF-RKDXNWHRSA-N -1 0 319.404 0.934 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CCO1 ZINC000261983722 396086542 /nfs/dbraw/zinc/08/65/42/396086542.db2.gz RRMBFOGHYMRRDD-LBPRGKRZSA-N -1 0 302.286 0.866 50 0 DCAARM CN1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000071278658 396111681 /nfs/dbraw/zinc/11/16/81/396111681.db2.gz RDMYADNHRNRMIC-CYBMUJFWSA-N -1 0 312.391 0.291 50 0 DCAARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000261931532 396081042 /nfs/dbraw/zinc/08/10/42/396081042.db2.gz JQCAVYHSFZYPBB-GXFFZTMASA-N -1 0 304.302 0.638 50 0 DCAARM CCO[C@@H]1C[C@](NC(=O)c2cccc(=O)n2C)(C(=O)[O-])C1(C)C ZINC000262808127 396183838 /nfs/dbraw/zinc/18/38/38/396183838.db2.gz NTCBXWZBKRNULP-BZNIZROVSA-N -1 0 322.361 0.774 50 0 DCAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262928079 396192051 /nfs/dbraw/zinc/19/20/51/396192051.db2.gz FXAGIGJORHDZAH-QJPTWQEYSA-N -1 0 301.339 0.273 50 0 DCAARM Cc1noc(-c2ccccc2C(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000262981772 396195666 /nfs/dbraw/zinc/19/56/66/396195666.db2.gz NBFKVUYEQKPBGO-LBPRGKRZSA-N -1 0 317.301 0.971 50 0 DCAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000269092104 396385378 /nfs/dbraw/zinc/38/53/78/396385378.db2.gz VREXWHREBPIHQC-AWEZNQCLSA-N -1 0 306.362 0.821 50 0 DCAARM O=C(CN1CCCCCCC1=O)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000585136030 396641518 /nfs/dbraw/zinc/64/15/18/396641518.db2.gz NCEDYMOZUXZTHI-UHFFFAOYSA-N -1 0 322.814 0.954 50 0 DCAARM Cc1cc(C)c(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000311787789 396761473 /nfs/dbraw/zinc/76/14/73/396761473.db2.gz ZIXVQCTYHZMYJB-VIFPVBQESA-N -1 0 305.377 0.839 50 0 DCAARM CCOC(=O)N1CCN(C(=O)c2c(C(=O)[O-])cnn2C)CC1 ZINC000020616518 285816606 /nfs/dbraw/zinc/81/66/06/285816606.db2.gz OXOBSMBOOLEPCQ-UHFFFAOYSA-N -1 0 310.310 0.033 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2ccc(N(C)C)nc2)C[C@H]1C(=O)[O-] ZINC000263090572 158856459 /nfs/dbraw/zinc/85/64/59/158856459.db2.gz IULDCRFGEJUVGM-MWLCHTKSSA-N -1 0 313.379 0.489 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000299752586 292452709 /nfs/dbraw/zinc/45/27/09/292452709.db2.gz UQNSNGCIJWLELG-NSHDSACASA-N -1 0 324.308 0.811 50 0 DCAARM CCC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020567615 415152045 /nfs/dbraw/zinc/15/20/45/415152045.db2.gz VGVGBUWZNGDZRH-ACCUITESSA-N -1 0 317.345 0.824 50 0 DCAARM CC(NCCCO)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000006160918 415134525 /nfs/dbraw/zinc/13/45/25/415134525.db2.gz DFQHZQDZFFWINN-ACCUITESSA-N -1 0 317.345 0.824 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100916247 415592821 /nfs/dbraw/zinc/59/28/21/415592821.db2.gz HPDVHPKKACYSDP-NEPJUHHUSA-N -1 0 315.329 0.684 50 0 DCAARM COCCN1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000170566011 416027994 /nfs/dbraw/zinc/02/79/94/416027994.db2.gz CBDYHMOSJFOYPO-ZDUSSCGKSA-N -1 0 320.345 0.496 50 0 DCAARM CC(C)[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000263267792 416337724 /nfs/dbraw/zinc/33/77/24/416337724.db2.gz LJRUXSZOPHDUIN-SECBINFHSA-N -1 0 305.377 0.991 50 0 DCAARM Cc1nc(C(C)C)sc1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000215516709 416327074 /nfs/dbraw/zinc/32/70/74/416327074.db2.gz PYPITIVXWZGKOK-QMMMGPOBSA-N -1 0 310.379 0.789 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)CCO1 ZINC000238130743 416329710 /nfs/dbraw/zinc/32/97/10/416329710.db2.gz UUFPSZJHIJMCAS-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM CC(C)N1C[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)CC1=O ZINC000583650528 416481060 /nfs/dbraw/zinc/48/10/60/416481060.db2.gz CFLPIDPXMCCFCE-LLVKDONJSA-N -1 0 312.366 0.336 50 0 DCAARM CN1Cc2ccccc2[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)C1=O ZINC000623232635 416774369 /nfs/dbraw/zinc/77/43/69/416774369.db2.gz SJHVDPUCMJXDJC-XQQFMLRXSA-N -1 0 318.329 0.448 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000331106997 278063297 /nfs/dbraw/zinc/06/32/97/278063297.db2.gz GVBCGTODJXRHOL-GHMZBOCLSA-N -1 0 302.396 0.771 50 0 DCAARM CC(C)NC(=O)CNC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000065554174 279578184 /nfs/dbraw/zinc/57/81/84/279578184.db2.gz FQZIPSNDTAGFEN-INIZCTEOSA-N -1 0 319.361 0.737 50 0 DCAARM CN1N=C(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCC1=O ZINC000262563065 290314753 /nfs/dbraw/zinc/31/47/53/290314753.db2.gz VZLKMCOGBVPRAR-CYBMUJFWSA-N -1 0 315.329 0.633 50 0 DCAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCNC(=O)C2)c1C ZINC000013088479 301154127 /nfs/dbraw/zinc/15/41/27/301154127.db2.gz QCLADMGFKMACEN-UHFFFAOYSA-N -1 0 312.347 0.122 50 0 DCAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)N1CCCc2ccccc21 ZINC000071405407 337366811 /nfs/dbraw/zinc/36/68/11/337366811.db2.gz QFHZBKLRKTZMOM-UHFFFAOYSA-N -1 0 318.358 0.942 50 0 DCAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000299740526 534501179 /nfs/dbraw/zinc/50/11/79/534501179.db2.gz BJIZVKHFDWNUSM-LBPRGKRZSA-N -1 0 311.359 0.535 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCO1 ZINC000262872961 534503973 /nfs/dbraw/zinc/50/39/73/534503973.db2.gz XXDIUGGRRGCIFW-VXGBXAGGSA-N -1 0 301.339 0.274 50 0 DCAARM O=C([O-])COc1ccccc1C=NNC(=O)c1ccc(=O)[nH]n1 ZINC000015722767 545642311 /nfs/dbraw/zinc/64/23/11/545642311.db2.gz UBNXJBPVVSLNHM-CHHVJCJISA-N -1 0 316.273 0.410 50 0 DCAARM CS(=O)(=O)C[C@H]1CCCN(Cc2c[nH]nc2C(=O)[O-])C1 ZINC000215877654 545939153 /nfs/dbraw/zinc/93/91/53/545939153.db2.gz AXFQUDVDTTVHAG-VIFPVBQESA-N -1 0 301.368 0.365 50 0 DCAARM CS(=O)(=O)C1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCC1 ZINC000262424193 545985480 /nfs/dbraw/zinc/98/54/80/545985480.db2.gz GUEIFLYTZQPUGW-SNVBAGLBSA-N -1 0 319.379 0.046 50 0 DCAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000584908031 546302592 /nfs/dbraw/zinc/30/25/92/546302592.db2.gz PXTYVFOIZMNMDD-KBPBESRZSA-N -1 0 318.329 0.276 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 ZINC000315020252 599947289 /nfs/dbraw/zinc/94/72/89/599947289.db2.gz VNLZGEVIVFUQLV-CQSZACIVSA-N -1 0 305.330 0.866 50 0 DCAARM CN1CCO[C@@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000888095931 661170011 /nfs/dbraw/zinc/17/00/11/661170011.db2.gz FKVJPOOJBPYVHF-UONOGXRCSA-N -1 0 304.346 0.930 50 0 DCAARM C[C@H](NC(=O)Cc1n[nH]c(=O)[n-]1)c1nc(-c2cccnc2)no1 ZINC000426538369 661608189 /nfs/dbraw/zinc/60/81/89/661608189.db2.gz NIZGYWVVTRMNDB-ZETCQYMHSA-N -1 0 315.293 0.375 50 0 DCAARM O=C([O-])CNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000243923492 665871318 /nfs/dbraw/zinc/87/13/18/665871318.db2.gz RSOOBYKESCTWSF-UHFFFAOYSA-N -1 0 321.333 0.327 50 0 DCAARM NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000863981678 667204799 /nfs/dbraw/zinc/20/47/99/667204799.db2.gz HQXRKMZGKSDWDM-NSHDSACASA-N -1 0 312.347 0.413 50 0 DCAARM CN1N=C(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)CCC1=O ZINC000864174567 667222367 /nfs/dbraw/zinc/22/23/67/667222367.db2.gz GRYMLBPDJGAXKU-NHCYSSNCSA-N -1 0 307.350 0.696 50 0 DCAARM Cc1nc2sccc2c(N2CCN(CC(=O)[O-])C(=O)C2)n1 ZINC001772702793 1157842125 /nfs/dbraw/zinc/84/21/25/1157842125.db2.gz DYDVNPFQUZTOGP-UHFFFAOYSA-N -1 0 306.347 0.733 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704340010 1179979254 /nfs/dbraw/zinc/97/92/54/1179979254.db2.gz BOMPHRAMXWUQAO-RYUDHWBXSA-N -1 0 313.375 0.760 50 0 DCAARM COC(=O)c1c(OCCO)n[nH]c1NC(=O)[C@@H](C)CSC ZINC000585130099 766291867 /nfs/dbraw/zinc/29/18/67/766291867.db2.gz HQGNSTCOBQVZJL-ZETCQYMHSA-N -1 0 317.367 0.505 50 0 DCAARM CC(C)n1c(CNC(=O)Cn2[n-]nnc2=N)nc2ccccc21 ZINC001506416848 1017263426 /nfs/dbraw/zinc/26/34/26/1017263426.db2.gz MSEBEELAXALMBY-UHFFFAOYSA-N -1 0 314.353 0.333 50 0 DCAARM CC(C)[NH+]1CCC(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC1 ZINC001506424332 1017267122 /nfs/dbraw/zinc/26/71/22/1017267122.db2.gz ZXCDDIYIEHTOGD-NSHDSACASA-N -1 0 300.355 0.541 50 0 DCAARM O=C(NC[C@H]1CCCC[C@@H]1OCC(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000095400291 185353974 /nfs/dbraw/zinc/35/39/74/185353974.db2.gz RLSFGSOWFRWEDJ-SFYZADRCSA-N -1 0 322.287 0.966 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000072134506 191045822 /nfs/dbraw/zinc/04/58/22/191045822.db2.gz VPPXSNYZVCDGTD-ZDUSSCGKSA-N -1 0 316.317 0.583 50 0 DCAARM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000152456684 186075255 /nfs/dbraw/zinc/07/52/55/186075255.db2.gz KDIMQSOJEDWPCE-GHMZBOCLSA-N -1 0 315.329 0.995 50 0 DCAARM Cc1cc(C)c(CN2C(=O)C(=O)N(CC(=O)[O-])C2=O)c(C)c1 ZINC000002243905 180916428 /nfs/dbraw/zinc/91/64/28/180916428.db2.gz XYEYQSRYMLFGQT-UHFFFAOYSA-N -1 0 304.302 0.987 50 0 DCAARM Nc1nonc1-n1nnc(C(=O)[O-])c1-c1ccc2c(c1)OCO2 ZINC000002848453 180963658 /nfs/dbraw/zinc/96/36/58/180963658.db2.gz NMONDPGLANTDGN-UHFFFAOYSA-N -1 0 316.233 0.326 50 0 DCAARM CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000003355870 181011319 /nfs/dbraw/zinc/01/13/19/181011319.db2.gz UNDDMYFAGBTHLQ-UHFFFAOYSA-N -1 0 300.336 0.188 50 0 DCAARM CCn1ncc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C(F)(F)F ZINC000236978521 202104855 /nfs/dbraw/zinc/10/48/55/202104855.db2.gz PELZNODVCITXEN-QMMMGPOBSA-N -1 0 321.255 0.847 50 0 DCAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000299741598 304058790 /nfs/dbraw/zinc/05/87/90/304058790.db2.gz GSOKEDMWGFHSTN-JTQLQIEISA-N -1 0 309.322 0.195 50 0 DCAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000050922030 304062299 /nfs/dbraw/zinc/06/22/99/304062299.db2.gz RVBVHJFUHDPWOX-GHMZBOCLSA-N -1 0 303.380 0.667 50 0 DCAARM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178261417 237222133 /nfs/dbraw/zinc/22/21/33/237222133.db2.gz AJOCFQJQMPMOJJ-VIFPVBQESA-N -1 0 307.350 0.923 50 0 DCAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000237947827 202399366 /nfs/dbraw/zinc/39/93/66/202399366.db2.gz KOJBPXWZSIZMPO-ZDUSSCGKSA-N -1 0 316.357 0.811 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000268883771 238251420 /nfs/dbraw/zinc/25/14/20/238251420.db2.gz AEXNNELIGYAGIL-UHFFFAOYSA-N -1 0 321.333 0.389 50 0 DCAARM NS(=O)(=O)c1ccc(CCNC(=O)CCCC(=O)[O-])cc1 ZINC000006550735 181353250 /nfs/dbraw/zinc/35/32/50/181353250.db2.gz JWRWEOYESVTXQN-UHFFFAOYSA-N -1 0 314.363 0.248 50 0 DCAARM O=C([O-])C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000006758636 181384497 /nfs/dbraw/zinc/38/44/97/181384497.db2.gz KUZFOJVFYZGBEO-UHFFFAOYSA-N -1 0 315.329 0.720 50 0 DCAARM O=C([O-])c1c(NC(=O)C(=O)NCCO)sc2c1CCCC2 ZINC000006764262 181385648 /nfs/dbraw/zinc/38/56/48/181385648.db2.gz PUAHQMJIOSDTMO-UHFFFAOYSA-N -1 0 312.347 0.372 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000299745488 304134993 /nfs/dbraw/zinc/13/49/93/304134993.db2.gz ZMUSAFBWUBPFCF-PWSUYJOCSA-N -1 0 310.350 0.090 50 0 DCAARM C[C@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CCO1 ZINC000013455986 181852105 /nfs/dbraw/zinc/85/21/05/181852105.db2.gz PQUPBINBQODQSO-QMMMGPOBSA-N -1 0 301.320 0.500 50 0 DCAARM CN(C)S(=O)(=O)c1csc(C(=O)N(C)CC(=O)[O-])c1 ZINC000016652242 182056632 /nfs/dbraw/zinc/05/66/32/182056632.db2.gz VREMIEDOXXAEGZ-UHFFFAOYSA-N -1 0 306.365 0.155 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018058987 182091363 /nfs/dbraw/zinc/09/13/63/182091363.db2.gz PPLVVAOSJGTMLN-NXEZZACHSA-N -1 0 321.720 0.720 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3C)c(=O)c1-2 ZINC000018155031 182095090 /nfs/dbraw/zinc/09/50/90/182095090.db2.gz ZOQPQDXPGPZXDV-NXEZZACHSA-N -1 0 321.720 0.639 50 0 DCAARM CC[C@@H](C(=O)[O-])N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000021635686 182281596 /nfs/dbraw/zinc/28/15/96/182281596.db2.gz RZZUCJIXGVESDR-LBPRGKRZSA-N -1 0 308.309 0.860 50 0 DCAARM CCNC(=O)[C@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000040478780 183075818 /nfs/dbraw/zinc/07/58/18/183075818.db2.gz MEFWNRKXMIKBKM-QMMMGPOBSA-N -1 0 307.379 0.732 50 0 DCAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2c(c1)CCO2 ZINC000218057748 304207782 /nfs/dbraw/zinc/20/77/82/304207782.db2.gz YMPGQGTUQJDKJO-CYBMUJFWSA-N -1 0 313.313 0.996 50 0 DCAARM CS(=O)(=O)[N-]C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000042279343 183249921 /nfs/dbraw/zinc/24/99/21/183249921.db2.gz YKEDHNSVHCQZAG-UHFFFAOYSA-N -1 0 312.347 0.268 50 0 DCAARM CCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000062873818 184258249 /nfs/dbraw/zinc/25/82/49/184258249.db2.gz CWIAOQWFLWNYHX-CYBMUJFWSA-N -1 0 320.411 0.530 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3c(c2)ncn3CCCO)C1 ZINC000065434240 184344579 /nfs/dbraw/zinc/34/45/79/184344579.db2.gz RYWSUACISDADEX-SNVBAGLBSA-N -1 0 303.318 0.856 50 0 DCAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCNC3=S)C2=O)cc1 ZINC000019782510 304246260 /nfs/dbraw/zinc/24/62/60/304246260.db2.gz YDUXKIUZTYZBCZ-JTQLQIEISA-N -1 0 319.342 0.207 50 0 DCAARM C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1COc2ccccc2O1 ZINC000317833067 257237066 /nfs/dbraw/zinc/23/70/66/257237066.db2.gz BPRQVABQZAZUDK-CYBMUJFWSA-N -1 0 308.334 0.301 50 0 DCAARM CN1C(=O)C[C@H](C(=O)NCCCc2nnn[n-]2)c2ccccc21 ZINC000426690221 257244176 /nfs/dbraw/zinc/24/41/76/257244176.db2.gz CVPOLSHSUGXKPL-NSHDSACASA-N -1 0 314.349 0.399 50 0 DCAARM CN(Cc1noc(C2CCCC2)n1)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426598815 257245990 /nfs/dbraw/zinc/24/59/90/257245990.db2.gz DPCTXKWFLSJIPJ-UHFFFAOYSA-N -1 0 306.326 0.752 50 0 DCAARM Cn1cnc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)c1 ZINC000426551905 257247300 /nfs/dbraw/zinc/24/73/00/257247300.db2.gz AUWMRQNKGVTPAL-LLVKDONJSA-N -1 0 317.349 0.721 50 0 DCAARM C[C@@H](NC(=O)c1cc(C2CC2)on1)c1n[nH]c(CC(=O)[O-])n1 ZINC000426534397 257247372 /nfs/dbraw/zinc/24/73/72/257247372.db2.gz FSSAEYASGQEVKR-ZCFIWIBFSA-N -1 0 305.294 0.788 50 0 DCAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000426487974 257249186 /nfs/dbraw/zinc/24/91/86/257249186.db2.gz JRGYYLKZTXTFHN-NSHDSACASA-N -1 0 315.333 0.778 50 0 DCAARM Cc1cccc2nc(C(=O)NCCc3n[nH]c(=O)[n-]3)c(F)n21 ZINC000426465177 257250349 /nfs/dbraw/zinc/25/03/49/257250349.db2.gz LNXYMYSCEIVCIJ-UHFFFAOYSA-N -1 0 304.285 0.578 50 0 DCAARM O=C([O-])c1ccc2c(c1)C(=O)N(NC(=O)c1ccncc1)C2=O ZINC000000192736 395679973 /nfs/dbraw/zinc/67/99/73/395679973.db2.gz BDJYBDHDEQOJRG-UHFFFAOYSA-N -1 0 311.253 0.721 50 0 DCAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000002737138 395681784 /nfs/dbraw/zinc/68/17/84/395681784.db2.gz OMPFMPHZXFHHSN-LBPRGKRZSA-N -1 0 312.347 0.629 50 0 DCAARM CSC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006259729 395683007 /nfs/dbraw/zinc/68/30/07/395683007.db2.gz DRBLVXIFCQCLBJ-VIFPVBQESA-N -1 0 320.348 0.689 50 0 DCAARM Cn1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CC(C)(C)OC3 ZINC000006758377 395683130 /nfs/dbraw/zinc/68/31/30/395683130.db2.gz YPWPOQUPAMNXHK-UHFFFAOYSA-N -1 0 324.358 0.698 50 0 DCAARM CCn1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036610994 395723790 /nfs/dbraw/zinc/72/37/90/395723790.db2.gz OVCJFJRQNKVWEB-BDAKNGLRSA-N -1 0 306.322 0.607 50 0 DCAARM CCCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000038100394 395731477 /nfs/dbraw/zinc/73/14/77/395731477.db2.gz XXMIGHLSZGIMIU-UHFFFAOYSA-N -1 0 314.363 0.532 50 0 DCAARM C[C@H](CN(C)S(=O)(=O)Cc1ccc(F)cc1)c1nnn[n-]1 ZINC000097097277 395755010 /nfs/dbraw/zinc/75/50/10/395755010.db2.gz MDYGMSULNAPEMY-SECBINFHSA-N -1 0 313.358 0.904 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100048848 395762162 /nfs/dbraw/zinc/76/21/62/395762162.db2.gz PPLVVAOSJGTMLN-ZJUUUORDSA-N -1 0 321.720 0.720 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000100639131 395763541 /nfs/dbraw/zinc/76/35/41/395763541.db2.gz ABFHOVXTVRLVQZ-JQWIXIFHSA-N -1 0 302.286 0.802 50 0 DCAARM COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1 ZINC000101763550 395767255 /nfs/dbraw/zinc/76/72/55/395767255.db2.gz AXSZUZUXERAKKY-SNVBAGLBSA-N -1 0 316.317 0.227 50 0 DCAARM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccnc1OC(C)C ZINC000225471330 395860584 /nfs/dbraw/zinc/86/05/84/395860584.db2.gz ZNPHICRFBWYMSW-JTQLQIEISA-N -1 0 316.379 0.963 50 0 DCAARM Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1cn[nH]n1 ZINC000222475878 395852843 /nfs/dbraw/zinc/85/28/43/395852843.db2.gz OYIMXMRKAQFZIW-DGCLKSJQSA-N -1 0 321.337 0.514 50 0 DCAARM C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000129147595 395918918 /nfs/dbraw/zinc/91/89/18/395918918.db2.gz OJXRRDTVTDXRMX-CABZTGNLSA-N -1 0 311.359 0.458 50 0 DCAARM O=C([O-])C1(CNS(=O)(=O)c2cccs2)CCOCC1 ZINC000138142629 395951331 /nfs/dbraw/zinc/95/13/31/395951331.db2.gz PJIFOPSHFDCIOC-UHFFFAOYSA-N -1 0 305.377 0.908 50 0 DCAARM Cn1nc(C(=O)N2CCN(C)[C@H](C(=O)[O-])C2)c2c1CCCC2 ZINC000067772213 396033050 /nfs/dbraw/zinc/03/30/50/396033050.db2.gz ISXWRRYYKFEEDW-LBPRGKRZSA-N -1 0 306.366 0.140 50 0 DCAARM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000067878831 396037799 /nfs/dbraw/zinc/03/77/99/396037799.db2.gz FNKQZTHDIHMUFX-UHFFFAOYSA-N -1 0 319.365 0.628 50 0 DCAARM COc1ccc(CCN2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1OC ZINC000252484612 396020670 /nfs/dbraw/zinc/02/06/70/396020670.db2.gz GANOJBINRTVSHX-SNVBAGLBSA-N -1 0 322.317 0.641 50 0 DCAARM CN1N=C(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)CCC1=O ZINC000262109099 396099851 /nfs/dbraw/zinc/09/98/51/396099851.db2.gz JRFKPCQZEIVNLU-JTQLQIEISA-N -1 0 301.302 0.810 50 0 DCAARM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1CCCOC1 ZINC000262210633 396111560 /nfs/dbraw/zinc/11/15/60/396111560.db2.gz PSQJVBJTPXWIBV-NWDGAFQWSA-N -1 0 312.366 0.195 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])CC2 ZINC000262402718 396136027 /nfs/dbraw/zinc/13/60/27/396136027.db2.gz MQGXUOHAYLSRJP-MNOVXSKESA-N -1 0 324.358 0.205 50 0 DCAARM C[C@H](CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000262834518 396186086 /nfs/dbraw/zinc/18/60/86/396186086.db2.gz YGBLPAWRNXTCDX-ANRSDYALSA-N -1 0 319.317 0.334 50 0 DCAARM Cc1cccc(-n2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)nn2)c1 ZINC000262902286 396190973 /nfs/dbraw/zinc/19/09/73/396190973.db2.gz BPASJKGICRIJEC-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262928082 396191984 /nfs/dbraw/zinc/19/19/84/396191984.db2.gz FXAGIGJORHDZAH-TUAOUCFPSA-N -1 0 301.339 0.273 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000263295754 396212188 /nfs/dbraw/zinc/21/21/88/396212188.db2.gz MHNMOHGHOMUYJY-LLVKDONJSA-N -1 0 312.347 0.284 50 0 DCAARM O=S(=O)(NCc1nc(C2CCOCC2)no1)N1CCCC1 ZINC000585149441 396642063 /nfs/dbraw/zinc/64/20/63/396642063.db2.gz SLDSLQRLIAFCAC-UHFFFAOYSA-N -1 0 316.383 0.394 50 0 DCAARM O=C([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)cs1 ZINC000070156473 158046203 /nfs/dbraw/zinc/04/62/03/158046203.db2.gz QHWXACJDJZMHMN-UHFFFAOYSA-N -1 0 320.392 0.057 50 0 DCAARM CN1N=C(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)CCC1=O ZINC000262109100 158774562 /nfs/dbraw/zinc/77/45/62/158774562.db2.gz JRFKPCQZEIVNLU-SNVBAGLBSA-N -1 0 301.302 0.810 50 0 DCAARM Cc1noc(COCC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)n1 ZINC000262285194 158792830 /nfs/dbraw/zinc/79/28/30/158792830.db2.gz WJUSSAFROHSJLS-IINYFYTJSA-N -1 0 309.322 0.608 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)CN2CCCCCCC2=O)CCO1 ZINC000262706026 158835123 /nfs/dbraw/zinc/83/51/23/158835123.db2.gz DFXBETRAFVGVRH-GFCCVEGCSA-N -1 0 312.366 0.481 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)CN2CSCC2=O)c2ccccc21 ZINC000131941596 196212385 /nfs/dbraw/zinc/21/23/85/196212385.db2.gz RCOQMSGZWHIFGQ-JTQLQIEISA-N -1 0 306.343 0.734 50 0 DCAARM COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000045896124 415254748 /nfs/dbraw/zinc/25/47/48/415254748.db2.gz MAKSGEODMJKKIJ-LLVKDONJSA-N -1 0 315.289 0.833 50 0 DCAARM NC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC000089712910 415522232 /nfs/dbraw/zinc/52/22/32/415522232.db2.gz DBXPYPLWSHQNFU-VIFPVBQESA-N -1 0 312.347 0.271 50 0 DCAARM Cc1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000095971761 415568094 /nfs/dbraw/zinc/56/80/94/415568094.db2.gz RVTCMNDHTXHDOS-UHFFFAOYSA-N -1 0 318.746 0.005 50 0 DCAARM CCO[C@H](C)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000105102383 415630964 /nfs/dbraw/zinc/63/09/64/415630964.db2.gz IOXOCYGMTXMOFK-HGIWHZBTSA-N -1 0 316.379 0.043 50 0 DCAARM CCN(Cc1cc(=O)n2[n-]c(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000102781869 415599249 /nfs/dbraw/zinc/59/92/49/415599249.db2.gz UREJDYNIAOBXSL-GFCCVEGCSA-N -1 0 324.406 0.340 50 0 DCAARM O=C(c1cc(=O)[n-]o1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000299758632 416064462 /nfs/dbraw/zinc/06/44/62/416064462.db2.gz LKRHJPPIAPUJOU-UHFFFAOYSA-N -1 0 309.322 0.091 50 0 DCAARM COc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(OC)n1 ZINC000299789259 416069536 /nfs/dbraw/zinc/06/95/36/416069536.db2.gz YHSRFCLTCBIQRQ-VIFPVBQESA-N -1 0 310.306 0.415 50 0 DCAARM O=C(CCc1cc(=O)[n-]o1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299789736 416070093 /nfs/dbraw/zinc/07/00/93/416070093.db2.gz ABBRHAHPGMNRHC-RYUDHWBXSA-N -1 0 319.321 0.277 50 0 DCAARM CN(C[C@@H](O)CO)c1ccnc(-c2cccc(C(=O)[O-])c2)n1 ZINC000216217320 416327493 /nfs/dbraw/zinc/32/74/93/416327493.db2.gz NJZMJCZBZLAFJV-GFCCVEGCSA-N -1 0 303.318 0.631 50 0 DCAARM O=C([O-])CN(C(=O)c1c[nH]c(=O)c(Br)c1)C1CC1 ZINC000238084710 416329765 /nfs/dbraw/zinc/32/97/65/416329765.db2.gz OYZRMWPNJQUWEI-UHFFFAOYSA-N -1 0 315.123 0.827 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2N(C)C1 ZINC000239882336 416330196 /nfs/dbraw/zinc/33/01/96/416330196.db2.gz DBFICBGSJFZTRB-GFCCVEGCSA-N -1 0 312.391 0.388 50 0 DCAARM CCCC(=O)N1CCC[C@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784596 418055276 /nfs/dbraw/zinc/05/52/76/418055276.db2.gz ZHRLTWALYIKSHQ-VIFPVBQESA-N -1 0 309.326 0.092 50 0 DCAARM C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])NC1=O ZINC000659169499 418067147 /nfs/dbraw/zinc/06/71/47/418067147.db2.gz CYZQSBVVXDCZHP-KOLSJAJHSA-N -1 0 320.301 0.378 50 0 DCAARM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000653496691 418082402 /nfs/dbraw/zinc/08/24/02/418082402.db2.gz DGXYHTMVGRJHHC-VXGBXAGGSA-N -1 0 314.363 0.176 50 0 DCAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc2nncn2c1 ZINC000299751472 229395870 /nfs/dbraw/zinc/39/58/70/229395870.db2.gz QPAQKYQWSSZLIS-GFCCVEGCSA-N -1 0 318.333 0.825 50 0 DCAARM CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)[O-] ZINC000008611833 280656145 /nfs/dbraw/zinc/65/61/45/280656145.db2.gz RYAYCQDCAOGJGX-UHFFFAOYSA-N -1 0 323.374 0.932 50 0 DCAARM CC[C@](C)(NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000263295558 288396395 /nfs/dbraw/zinc/39/63/95/288396395.db2.gz SISSINDJXRVPNY-CABZTGNLSA-N -1 0 303.380 0.571 50 0 DCAARM CN(CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)S(C)(=O)=O ZINC000262310464 289469541 /nfs/dbraw/zinc/46/95/41/289469541.db2.gz BKJBRJYTNRTWRN-DCAQKATOSA-N -1 0 318.395 0.122 50 0 DCAARM CN1CCN(C(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)CC1 ZINC000100621215 290028896 /nfs/dbraw/zinc/02/88/96/290028896.db2.gz WEPFKTGIXKPCQS-UHFFFAOYSA-N -1 0 313.357 0.651 50 0 DCAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])C2 ZINC000299752266 295268734 /nfs/dbraw/zinc/26/87/34/295268734.db2.gz TURRNDWDGLMIDQ-YPMHNXCESA-N -1 0 321.329 0.558 50 0 DCAARM Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@@]12C(=O)[O-] ZINC000089499470 302807984 /nfs/dbraw/zinc/80/79/84/302807984.db2.gz KLCOQVAUBXCGFU-OAHLLOKOSA-N -1 0 312.285 0.492 50 0 DCAARM Cc1onc(N)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000263081706 302878169 /nfs/dbraw/zinc/87/81/69/302878169.db2.gz RURRPJXJBWSWBX-HTRCEHHLSA-N -1 0 303.340 0.439 50 0 DCAARM CN1C[C@@H](C(=O)NC2(C(=O)[O-])CCOCC2)Oc2ccccc21 ZINC000534584241 334289205 /nfs/dbraw/zinc/28/92/05/334289205.db2.gz YUIUOKPMJPPHBU-ZDUSSCGKSA-N -1 0 320.345 0.634 50 0 DCAARM O=C([O-])CN(C(=O)CCn1ccccc1=O)C1CCOCC1 ZINC000408513368 534498184 /nfs/dbraw/zinc/49/81/84/534498184.db2.gz ZHOUKURFFUEJKE-UHFFFAOYSA-N -1 0 308.334 0.331 50 0 DCAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000299740525 534499890 /nfs/dbraw/zinc/49/98/90/534499890.db2.gz BJIZVKHFDWNUSM-GFCCVEGCSA-N -1 0 311.359 0.535 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000262505676 534525893 /nfs/dbraw/zinc/52/58/93/534525893.db2.gz OEJQFJBTESNGOO-ZDUSSCGKSA-N -1 0 318.329 0.739 50 0 DCAARM CCc1nc(=N[C@@H]2CCc3c(nc(C)n3CCO)C2)s[n-]1 ZINC000585092071 546303221 /nfs/dbraw/zinc/30/32/21/546303221.db2.gz DCFMTVHKVYJGFB-SNVBAGLBSA-N -1 0 307.423 0.989 50 0 DCAARM O=C(CCc1nc2cc(F)ccc2[nH]1)NCc1n[nH]c(=O)[n-]1 ZINC000670440179 547091521 /nfs/dbraw/zinc/09/15/21/547091521.db2.gz DWDZMGFLCFLENQ-UHFFFAOYSA-N -1 0 304.285 0.775 50 0 DCAARM Cc1cccc2[nH]c(COCC(=O)NCc3n[nH]c(=O)[n-]3)nc21 ZINC000670450277 547096646 /nfs/dbraw/zinc/09/66/46/547096646.db2.gz MIACSNVDPDFRPJ-UHFFFAOYSA-N -1 0 316.321 0.528 50 0 DCAARM C[C@@H](Cn1cncn1)C(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000952988124 685602908 /nfs/dbraw/zinc/60/29/08/685602908.db2.gz MLXHYTHUEYXLFY-NSHDSACASA-N -1 0 318.333 0.808 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)Cn2ccc3ccccc32)CC[C@H]1O ZINC001704343323 1179979996 /nfs/dbraw/zinc/97/99/96/1179979996.db2.gz GOHCJYJWUACBSO-GXTWGEPZSA-N -1 0 302.330 0.935 50 0 DCAARM Cn1c2ccc(C(=O)NCC(=O)[O-])cc2nc1N1CCOCC1 ZINC000095516695 185376475 /nfs/dbraw/zinc/37/64/75/185376475.db2.gz BKRHQPYRSKCLSK-UHFFFAOYSA-N -1 0 318.333 0.224 50 0 DCAARM Cc1nc(N(C)C)ncc1C(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000095522618 185377566 /nfs/dbraw/zinc/37/75/66/185377566.db2.gz AFGWIXRWAPGWFX-GFCCVEGCSA-N -1 0 318.333 0.870 50 0 DCAARM CCCn1cc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c(C)n1 ZINC000095526744 185377938 /nfs/dbraw/zinc/37/79/38/185377938.db2.gz YWVDJYNMWFCIDT-CYBMUJFWSA-N -1 0 317.349 0.976 50 0 DCAARM CN1CC[C@H](C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)CC1=O ZINC000095424505 185361420 /nfs/dbraw/zinc/36/14/20/185361420.db2.gz CWBOGGIGNHXJHZ-NSHDSACASA-N -1 0 316.357 0.593 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1Cc1cnc(N2CCCC2)nc1 ZINC000072165938 191065506 /nfs/dbraw/zinc/06/55/06/191065506.db2.gz QQERTBSYZDUDSM-CYBMUJFWSA-N -1 0 306.366 0.752 50 0 DCAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1 ZINC000000100431 180692411 /nfs/dbraw/zinc/69/24/11/180692411.db2.gz NQMZVOLOIJXGIX-LBPRGKRZSA-N -1 0 304.302 0.349 50 0 DCAARM Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000072474643 191177553 /nfs/dbraw/zinc/17/75/53/191177553.db2.gz BYPRREXJHFFZQB-ZDUSSCGKSA-N -1 0 309.366 0.982 50 0 DCAARM C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002564491 180935921 /nfs/dbraw/zinc/93/59/21/180935921.db2.gz ONSJKBWEYSPLAL-UMNHJUIQSA-N -1 0 324.333 0.252 50 0 DCAARM CCOC(=O)c1[nH]cnc1SC[C@@H](NC(C)=O)C(=O)[O-] ZINC000005799567 181285346 /nfs/dbraw/zinc/28/53/46/181285346.db2.gz TWRSKEDRKXJNNV-SSDOTTSWSA-N -1 0 301.324 0.268 50 0 DCAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000237408457 202258241 /nfs/dbraw/zinc/25/82/41/202258241.db2.gz ITYJMOONIZENRP-ZYHUDNBSSA-N -1 0 315.333 0.977 50 0 DCAARM CCOc1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000566053236 291265526 /nfs/dbraw/zinc/26/55/26/291265526.db2.gz HTTPNEFIHILALC-LBPRGKRZSA-N -1 0 315.347 0.559 50 0 DCAARM Cn1nnnc1SCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000006525999 181349733 /nfs/dbraw/zinc/34/97/33/181349733.db2.gz BJGXDWQUUHCWAQ-UHFFFAOYSA-N -1 0 309.307 0.345 50 0 DCAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCCCN1CCOCC1 ZINC000006731963 181379035 /nfs/dbraw/zinc/37/90/35/181379035.db2.gz YDYONXSOUBSUGG-PFSRBDOWSA-N -1 0 324.421 0.962 50 0 DCAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCNC(C)=O)C1 ZINC000091769221 193103639 /nfs/dbraw/zinc/10/36/39/193103639.db2.gz BFQRPUAOZKTQIA-HNNXBMFYSA-N -1 0 314.382 0.633 50 0 DCAARM Cc1nc(N)nc(C)c1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091974304 193134658 /nfs/dbraw/zinc/13/46/58/193134658.db2.gz CAOSNGFKBLSVPN-QWHCGFSZSA-N -1 0 318.377 0.787 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000268943636 304146974 /nfs/dbraw/zinc/14/69/74/304146974.db2.gz MWFGUQYOBARXOR-VWYCJHECSA-N -1 0 321.333 0.193 50 0 DCAARM CN(C)C(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000095350376 193425777 /nfs/dbraw/zinc/42/57/77/193425777.db2.gz DTZOTRMURFJHPL-WDEREUQCSA-N -1 0 313.398 0.996 50 0 DCAARM CNC(=O)c1c2c(sc1NC(=O)Cc1nnn[n-]1)CCCC2 ZINC000016750147 182060201 /nfs/dbraw/zinc/06/02/01/182060201.db2.gz JSGREIXTMHDIIR-UHFFFAOYSA-N -1 0 320.378 0.681 50 0 DCAARM COCCN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019881448 182159887 /nfs/dbraw/zinc/15/98/87/182159887.db2.gz PARRAQJVACLVCV-VIFPVBQESA-N -1 0 310.331 0.646 50 0 DCAARM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000020008098 182176755 /nfs/dbraw/zinc/17/67/55/182176755.db2.gz CAOVBCRDNBHVGA-SNVBAGLBSA-N -1 0 312.347 0.271 50 0 DCAARM NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000020008101 182176801 /nfs/dbraw/zinc/17/68/01/182176801.db2.gz CAOVBCRDNBHVGA-JTQLQIEISA-N -1 0 312.347 0.271 50 0 DCAARM CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)[O-])cc1 ZINC000020199484 182196996 /nfs/dbraw/zinc/19/69/96/182196996.db2.gz IIJYQKQXUGLWRV-MRVPVSSYSA-N -1 0 300.336 0.787 50 0 DCAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(Cc3ccco3)CC2)n1 ZINC000020614932 182239198 /nfs/dbraw/zinc/23/91/98/182239198.db2.gz IVBXYGTVRIOEGD-UHFFFAOYSA-N -1 0 318.333 0.669 50 0 DCAARM CCOC(=O)[C@H]1CCCN(C(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000020614724 182239233 /nfs/dbraw/zinc/23/92/33/182239233.db2.gz GPYDDRLIUMWMNU-VIFPVBQESA-N -1 0 309.322 0.534 50 0 DCAARM CCOC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100625974 193802252 /nfs/dbraw/zinc/80/22/52/193802252.db2.gz NBWBGCIYAWBDIF-VXGBXAGGSA-N -1 0 302.290 0.543 50 0 DCAARM CCn1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036610995 182827680 /nfs/dbraw/zinc/82/76/80/182827680.db2.gz OVCJFJRQNKVWEB-IUCAKERBSA-N -1 0 306.322 0.607 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000262455769 304196932 /nfs/dbraw/zinc/19/69/32/304196932.db2.gz XCHGAALUHSVQIJ-ZYHUDNBSSA-N -1 0 322.292 0.564 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CCO1 ZINC000362804027 257235730 /nfs/dbraw/zinc/23/57/30/257235730.db2.gz BVMXXSZQSBPZPT-CYBMUJFWSA-N -1 0 316.317 0.583 50 0 DCAARM CCC[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000036837063 257240282 /nfs/dbraw/zinc/24/02/82/257240282.db2.gz VQQUVFXIDAQGBR-VHSXEESVSA-N -1 0 306.384 0.170 50 0 DCAARM CS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000299742248 533441091 /nfs/dbraw/zinc/44/10/91/533441091.db2.gz AVJWRDQELZKCEY-VXGBXAGGSA-N -1 0 311.359 0.470 50 0 DCAARM COc1ccc(Cc2nnc(NCCO)[n-]c2=O)cc1OC ZINC000013113950 395688483 /nfs/dbraw/zinc/68/84/83/395688483.db2.gz PARMKERRNYZWEM-UHFFFAOYSA-N -1 0 306.322 0.177 50 0 DCAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCC(N)=O ZINC000014011330 395688911 /nfs/dbraw/zinc/68/89/11/395688911.db2.gz PCWJIFJZFUOQSU-UITAMQMPSA-N -1 0 305.290 0.130 50 0 DCAARM O=C([O-])CCNC(=O)CCCn1nnc2ccccc2c1=O ZINC000002326137 395681449 /nfs/dbraw/zinc/68/14/49/395681449.db2.gz VAMNKYBMTAOVSS-UHFFFAOYSA-N -1 0 304.306 0.163 50 0 DCAARM CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)NC2=O)C1 ZINC000003189466 395682300 /nfs/dbraw/zinc/68/23/00/395682300.db2.gz YSGGTTSALQBGFJ-BJOHPYRUSA-N -1 0 309.366 0.403 50 0 DCAARM NC(=O)[C@H]1CC(C(=O)[N-]C2=NCCS2)=NN1c1ccccc1 ZINC000030656242 395704037 /nfs/dbraw/zinc/70/40/37/395704037.db2.gz PSRDQOKYJZMQKB-LLVKDONJSA-N -1 0 317.374 0.326 50 0 DCAARM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nncs2)o1 ZINC000029258644 395697569 /nfs/dbraw/zinc/69/75/69/395697569.db2.gz WJLAOWGIMKKSND-UHFFFAOYSA-N -1 0 302.337 0.634 50 0 DCAARM CCc1nccn1CCC(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000096136675 395745664 /nfs/dbraw/zinc/74/56/64/395745664.db2.gz DEWCPQNSHVUIJP-GFCCVEGCSA-N -1 0 317.349 0.597 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000096316599 395752285 /nfs/dbraw/zinc/75/22/85/395752285.db2.gz MDDAPCSZKDCYDM-RYUDHWBXSA-N -1 0 315.329 0.684 50 0 DCAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1CN1CCCCC1=O ZINC000097575038 395759388 /nfs/dbraw/zinc/75/93/88/395759388.db2.gz DQXMCDAWSSKHFH-SNVBAGLBSA-N -1 0 308.338 0.379 50 0 DCAARM COc1coc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1=O ZINC000097636493 395759640 /nfs/dbraw/zinc/75/96/40/395759640.db2.gz CIHVLNPAEKHYNO-LLVKDONJSA-N -1 0 305.290 0.383 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100048842 395762127 /nfs/dbraw/zinc/76/21/27/395762127.db2.gz PPLVVAOSJGTMLN-VHSXEESVSA-N -1 0 321.720 0.720 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000100165853 395762822 /nfs/dbraw/zinc/76/28/22/395762822.db2.gz WWOFOTPRBADOQH-KOLCDFICSA-N -1 0 306.249 0.633 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2 ZINC000100872147 395763981 /nfs/dbraw/zinc/76/39/81/395763981.db2.gz NCSPAOJVBXCTFA-QWHCGFSZSA-N -1 0 323.308 0.830 50 0 DCAARM CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)NC1=O ZINC000101086246 395764271 /nfs/dbraw/zinc/76/42/71/395764271.db2.gz ZIEDXZKNUDBEBO-UHFFFAOYSA-N -1 0 317.301 0.535 50 0 DCAARM O=C([O-])c1c(OCc2ccccc2)c(=O)ccn1C[C@@H](O)CO ZINC000115961096 395841606 /nfs/dbraw/zinc/84/16/06/395841606.db2.gz RTNJSNISZQOUJS-GFCCVEGCSA-N -1 0 319.313 0.479 50 0 DCAARM Cc1cccc([C@@H](NC(=O)c2cnc(C)[nH]c2=O)C(=O)[O-])c1 ZINC000219797973 395846381 /nfs/dbraw/zinc/84/63/81/395846381.db2.gz SFNBQDUGJDCLFJ-GFCCVEGCSA-N -1 0 301.302 0.942 50 0 DCAARM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(N(C)C)c1 ZINC000252504773 396021961 /nfs/dbraw/zinc/02/19/61/396021961.db2.gz VKYGRSQXNJNRHG-SNVBAGLBSA-N -1 0 300.380 0.847 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C[C@H]3[C@@H]1C(=O)N(c1cccc([N+](=O)[O-])c1)[C@@H]3[C@@H]2O ZINC000256048157 396033630 /nfs/dbraw/zinc/03/36/30/396033630.db2.gz RCDQDAVVBBQHOY-WWBIDZNWSA-N -1 0 318.285 0.638 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000153090551 396020402 /nfs/dbraw/zinc/02/04/02/396020402.db2.gz VHMCDNUXWPAXFA-VIFPVBQESA-N -1 0 312.272 0.861 50 0 DCAARM CN(CC(=O)[O-])C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000153138895 396021844 /nfs/dbraw/zinc/02/18/44/396021844.db2.gz OVDIBFNJFPRUBR-AWEZNQCLSA-N -1 0 306.362 0.821 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)cc2)CCO1 ZINC000262395513 396134847 /nfs/dbraw/zinc/13/48/47/396134847.db2.gz LHNUNZZVPBIVAI-AWEZNQCLSA-N -1 0 315.329 0.857 50 0 DCAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000262435825 396139779 /nfs/dbraw/zinc/13/97/79/396139779.db2.gz PBOAVFXAZPSIQS-UHFFFAOYSA-N -1 0 301.320 0.901 50 0 DCAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCn1cncn1 ZINC000261922201 396079495 /nfs/dbraw/zinc/07/94/95/396079495.db2.gz IDIAFQQTFFUSKF-CQSZACIVSA-N -1 0 300.318 0.879 50 0 DCAARM Cn1nc(CC(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc21 ZINC000263225939 396206841 /nfs/dbraw/zinc/20/68/41/396206841.db2.gz PZNLMEGUZMPKDC-ZDUSSCGKSA-N -1 0 303.318 0.428 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000262897139 396190971 /nfs/dbraw/zinc/19/09/71/396190971.db2.gz AZVXLCHYCBZMIQ-CQSZACIVSA-N -1 0 315.329 0.727 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000262975821 396195405 /nfs/dbraw/zinc/19/54/05/396195405.db2.gz MHLSTDGMERMWFW-ZDUSSCGKSA-N -1 0 307.302 0.312 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cn1ncc2ccccc21 ZINC000263338628 396214331 /nfs/dbraw/zinc/21/43/31/396214331.db2.gz WYDMTUQUKVUYRC-GFCCVEGCSA-N -1 0 303.318 0.738 50 0 DCAARM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)[C@H](O)Cc1ccccc1 ZINC000263457510 396217204 /nfs/dbraw/zinc/21/72/04/396217204.db2.gz UXINWCLFRDAUOT-QMTHXVAHSA-N -1 0 315.329 0.897 50 0 DCAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000630249657 396970344 /nfs/dbraw/zinc/97/03/44/396970344.db2.gz OHZZGMBBTLVMSW-HNNXBMFYSA-N -1 0 307.302 0.774 50 0 DCAARM C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)[O-] ZINC000135898582 158340472 /nfs/dbraw/zinc/34/04/72/158340472.db2.gz LLKZLGDTTIZUJL-DTWKUNHWSA-N -1 0 320.301 0.358 50 0 DCAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000000060430 415124602 /nfs/dbraw/zinc/12/46/02/415124602.db2.gz ZCYFHIOHNFQBFX-QMMMGPOBSA-N -1 0 313.360 0.929 50 0 DCAARM COc1cc(OC)cc(-n2nc(C(=O)[O-])c(=O)cc2OC)c1 ZINC000067244882 415373697 /nfs/dbraw/zinc/37/36/97/415373697.db2.gz KUSJIRQAJGKATI-UHFFFAOYSA-N -1 0 306.274 0.957 50 0 DCAARM COc1ccc(-n2nc(C(=O)[O-])c(=O)cc2OC)cc1OC ZINC000067244881 415375144 /nfs/dbraw/zinc/37/51/44/415375144.db2.gz KJEAABFXRWWWRB-UHFFFAOYSA-N -1 0 306.274 0.957 50 0 DCAARM COCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000281659713 415563508 /nfs/dbraw/zinc/56/35/08/415563508.db2.gz JWIZJQBDWGZFRI-VIFPVBQESA-N -1 0 324.358 0.950 50 0 DCAARM CN1C(=O)C(=C([O-])c2cnn(C(C)(C)C)c2)C(=O)N(C)C1=O ZINC000103502031 415620194 /nfs/dbraw/zinc/62/01/94/415620194.db2.gz MHQBGAGKECDRJR-UHFFFAOYSA-N -1 0 306.322 0.487 50 0 DCAARM Cc1nc2[n-]c(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)nn2c(=O)c1C ZINC000098170453 415590610 /nfs/dbraw/zinc/59/06/10/415590610.db2.gz BAYXKHVUNLXCOL-AOOOYVTPSA-N -1 0 313.317 0.490 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100916243 415593794 /nfs/dbraw/zinc/59/37/94/415593794.db2.gz HPDVHPKKACYSDP-RYUDHWBXSA-N -1 0 315.329 0.684 50 0 DCAARM O=C([O-])CCC(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000338197958 416056664 /nfs/dbraw/zinc/05/66/64/416056664.db2.gz CBBGRKPKQSOKSE-UHFFFAOYSA-N -1 0 303.311 0.580 50 0 DCAARM Cc1nc([C@H]2CCOC2)cc(N2CCN(CC(=O)[O-])C(=O)C2)n1 ZINC000299757422 416064674 /nfs/dbraw/zinc/06/46/74/416064674.db2.gz JLYBOJPQSJEYGY-NSHDSACASA-N -1 0 320.349 0.022 50 0 DCAARM O=C(c1cn2ccsc2n1)N1CCC(c2nnn[n-]2)CC1 ZINC000299792024 416069353 /nfs/dbraw/zinc/06/93/53/416069353.db2.gz GKDMTJQTTWZSEZ-UHFFFAOYSA-N -1 0 303.351 0.929 50 0 DCAARM COCc1nc(=NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)s[n-]1 ZINC000331515248 416323120 /nfs/dbraw/zinc/32/31/20/416323120.db2.gz FSYQHEKHADKACX-GXSJLCMTSA-N -1 0 323.378 0.556 50 0 DCAARM Cn1ncc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1-n1cccc1 ZINC000237827991 416328820 /nfs/dbraw/zinc/32/88/20/416328820.db2.gz QZPVIPQDGREFRR-LLVKDONJSA-N -1 0 304.306 0.136 50 0 DCAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000656239197 418337933 /nfs/dbraw/zinc/33/79/33/418337933.db2.gz WGXUORNAXTZDMR-MNOVXSKESA-N -1 0 317.407 0.913 50 0 DCAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2COCCO2)C(=O)[O-])c1 ZINC000299751776 229396265 /nfs/dbraw/zinc/39/62/65/229396265.db2.gz RRJFCBTWBSUWAJ-KBPBESRZSA-N -1 0 307.346 0.770 50 0 DCAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncc(F)cn1)CC2 ZINC000072168611 277981556 /nfs/dbraw/zinc/98/15/56/277981556.db2.gz PDPVEYUOKZOEFX-GFCCVEGCSA-N -1 0 322.340 0.908 50 0 DCAARM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000162185299 295516277 /nfs/dbraw/zinc/51/62/77/295516277.db2.gz ILTWONWNPCQWMI-MNOVXSKESA-N -1 0 318.395 0.124 50 0 DCAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])C2 ZINC000268974376 301439050 /nfs/dbraw/zinc/43/90/50/301439050.db2.gz IVNDEBQZIDHZPB-GXTWGEPZSA-N -1 0 305.330 0.919 50 0 DCAARM Cn1c2[nH]c(CC3(CC(=O)[O-])CCCC3)nc2c(=O)[nH]c1=O ZINC000095944239 302903360 /nfs/dbraw/zinc/90/33/60/302903360.db2.gz LWXGMKBKZPMWLQ-UHFFFAOYSA-N -1 0 306.322 0.528 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000299750486 534526439 /nfs/dbraw/zinc/52/64/39/534526439.db2.gz NOAWKIQKRDJONV-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000299747620 534539443 /nfs/dbraw/zinc/53/94/43/534539443.db2.gz DKWFNQMUBMTWMG-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000268963773 534539730 /nfs/dbraw/zinc/53/97/30/534539730.db2.gz BBKMMJWIZHTWCR-GFCCVEGCSA-N -1 0 319.317 0.142 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-n2cncn2)c1 ZINC000299753135 534540032 /nfs/dbraw/zinc/54/00/32/534540032.db2.gz WYZBSNHZBHPAOA-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM Cn1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1=O ZINC000408513359 534731879 /nfs/dbraw/zinc/73/18/79/534731879.db2.gz XGMCOFADGOUNRI-LBPRGKRZSA-N -1 0 308.334 0.481 50 0 DCAARM COc1ccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)[O-])cc1 ZINC000262081845 525192315 /nfs/dbraw/zinc/19/23/15/525192315.db2.gz DRKFGWIVBHMCKR-CYBMUJFWSA-N -1 0 319.317 0.545 50 0 DCAARM Cn1ncnc1CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084304007 545700184 /nfs/dbraw/zinc/70/01/84/545700184.db2.gz UTTMYHFGWPDAGB-UHFFFAOYSA-N -1 0 316.296 0.776 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CCO1 ZINC000262420664 545985447 /nfs/dbraw/zinc/98/54/47/545985447.db2.gz QBIGSYGEVDQHMU-LBPRGKRZSA-N -1 0 319.317 0.142 50 0 DCAARM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263307289 545986571 /nfs/dbraw/zinc/98/65/71/545986571.db2.gz HKZHKYNUPKXVIN-FVCCEPFGSA-N -1 0 314.382 0.790 50 0 DCAARM O=C([O-])/C=C\C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033633349 665184340 /nfs/dbraw/zinc/18/43/40/665184340.db2.gz HAHZRPHGEPKIEE-SREVYHEPSA-N -1 0 324.358 0.160 50 0 DCAARM CCc1noc([C@@H](C)NCc2cnc(N(C)CC(=O)[O-])nc2)n1 ZINC001506406879 1017258301 /nfs/dbraw/zinc/25/83/01/1017258301.db2.gz RXDMMAHEYKBSAY-SECBINFHSA-N -1 0 320.353 0.794 50 0 DCAARM CCCOc1ccc([C@@H](C)NC(=O)Cn2[n-]nnc2=N)cc1 ZINC001506418197 1017263611 /nfs/dbraw/zinc/26/36/11/1017263611.db2.gz OFHGAVTUZIPMKV-SNVBAGLBSA-N -1 0 304.354 0.752 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Br)o1 ZINC000088374981 185247485 /nfs/dbraw/zinc/24/74/85/185247485.db2.gz YICKBCUXBUIMQQ-LURJTMIESA-N -1 0 304.096 0.968 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc3ccccc3o2)CCN1 ZINC000071747473 191020745 /nfs/dbraw/zinc/02/07/45/191020745.db2.gz JJRONOSKPOEJFK-SNVBAGLBSA-N -1 0 310.331 0.480 50 0 DCAARM O=C(NCc1nnn[n-]1)c1cn(Cc2c(F)cccc2F)nn1 ZINC000072171290 191070175 /nfs/dbraw/zinc/07/01/75/191070175.db2.gz QFYLDKDGVPWEED-UHFFFAOYSA-N -1 0 320.263 0.048 50 0 DCAARM O=C([O-])C1(NC(=O)Cn2cnc3ccccc3c2=O)CCCC1 ZINC000072277037 191097794 /nfs/dbraw/zinc/09/77/94/191097794.db2.gz OBRYTBDUGSHGFA-UHFFFAOYSA-N -1 0 315.329 0.910 50 0 DCAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237457407 186292610 /nfs/dbraw/zinc/29/26/10/186292610.db2.gz AYXZTUBWUPSRRN-NOZJJQNGSA-N -1 0 309.366 0.528 50 0 DCAARM COc1cc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)nc(N)n1 ZINC000072433229 191163820 /nfs/dbraw/zinc/16/38/20/191163820.db2.gz ZJIXIVGXQMTJAF-UHFFFAOYSA-N -1 0 318.337 0.344 50 0 DCAARM CCCCNC(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000101362396 282820176 /nfs/dbraw/zinc/82/01/76/282820176.db2.gz SDSIXAOIDRCIHR-WEDXCCLWSA-N -1 0 315.395 0.601 50 0 DCAARM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000004294531 181093642 /nfs/dbraw/zinc/09/36/42/181093642.db2.gz KVQQYFCIAYGISQ-UHFFFAOYSA-N -1 0 301.368 0.522 50 0 DCAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000236932553 202079380 /nfs/dbraw/zinc/07/93/80/202079380.db2.gz HQFBDSXPKWHAMY-LLVKDONJSA-N -1 0 308.334 0.951 50 0 DCAARM O=C([O-])C1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 ZINC000238024179 202421200 /nfs/dbraw/zinc/42/12/00/202421200.db2.gz DUXJWTBJZYIDSL-UHFFFAOYSA-N -1 0 303.318 0.653 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCO1 ZINC000262318473 238172210 /nfs/dbraw/zinc/17/22/10/238172210.db2.gz QOHITJNOTHLVHT-NSHDSACASA-N -1 0 307.302 0.774 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)Cc1ccsc1)CC2 ZINC000091321767 193040522 /nfs/dbraw/zinc/04/05/22/193040522.db2.gz AEKVPLODZXOJBU-NSHDSACASA-N -1 0 322.386 0.873 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ncccc2C(N)=O)C1 ZINC000091943023 193130157 /nfs/dbraw/zinc/13/01/57/193130157.db2.gz KRMHLQUCQSXODW-HNNXBMFYSA-N -1 0 307.350 0.888 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000268991210 304135797 /nfs/dbraw/zinc/13/57/97/304135797.db2.gz SXWMDNKFFCWULZ-LBPRGKRZSA-N -1 0 304.302 0.497 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000299749806 304135889 /nfs/dbraw/zinc/13/58/89/304135889.db2.gz LPMFGHGZOKKREL-LBPRGKRZSA-N -1 0 320.280 0.332 50 0 DCAARM CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])on1 ZINC000222503151 201613496 /nfs/dbraw/zinc/61/34/96/201613496.db2.gz QWHWLHMXFAONNB-BXKDBHETSA-N -1 0 312.322 0.787 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000003882723 304160319 /nfs/dbraw/zinc/16/03/19/304160319.db2.gz SLPZEBLBIJOIBQ-XNIJJKJLSA-N -1 0 315.281 0.786 50 0 DCAARM COc1cc(OC)cc(-n2nc(C(=O)[O-])c(OC)cc2=O)c1 ZINC000096511661 193674064 /nfs/dbraw/zinc/67/40/64/193674064.db2.gz MHJSRORDUFLBEC-UHFFFAOYSA-N -1 0 306.274 0.957 50 0 DCAARM CN(Cc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cnn(C)c1 ZINC000037918749 182936624 /nfs/dbraw/zinc/93/66/24/182936624.db2.gz POPZIIVTBWESPD-UHFFFAOYSA-N -1 0 309.347 0.939 50 0 DCAARM Cc1cccc2c1ccn2CCC(=O)NCC(=O)NCC(=O)[O-] ZINC000040310195 183053658 /nfs/dbraw/zinc/05/36/58/183053658.db2.gz IRMJFGTVQMEGRY-UHFFFAOYSA-N -1 0 317.345 0.657 50 0 biogenic DCAARM CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000040543809 183098981 /nfs/dbraw/zinc/09/89/81/183098981.db2.gz IPMXVZIOUTYHNA-UHFFFAOYSA-N -1 0 313.331 0.497 50 0 DCAARM Cn1cc(Br)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043700689 183381769 /nfs/dbraw/zinc/38/17/69/183381769.db2.gz OVNWEECAXRJXIR-SECBINFHSA-N -1 0 317.139 0.713 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000062118606 184206946 /nfs/dbraw/zinc/20/69/46/184206946.db2.gz FUZLQUVRCWGHOI-JGVFFNPUSA-N -1 0 308.256 0.330 50 0 DCAARM Nc1cc(=O)[nH]c(CCNC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000426606764 257245331 /nfs/dbraw/zinc/24/53/31/257245331.db2.gz PMIDFYHKQXFEJO-PHIMTYICSA-N -1 0 303.366 0.915 50 0 DCAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000426487973 257249065 /nfs/dbraw/zinc/24/90/65/257249065.db2.gz JRGYYLKZTXTFHN-LLVKDONJSA-N -1 0 315.333 0.778 50 0 DCAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc3nnnn32)C1 ZINC000426465222 257250126 /nfs/dbraw/zinc/25/01/26/257250126.db2.gz OXBZMZNBVRHGGI-CQSZACIVSA-N -1 0 303.322 0.841 50 0 DCAARM O=C([O-])CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000020218854 257268853 /nfs/dbraw/zinc/26/88/53/257268853.db2.gz UTNYRJLKHOLTAB-UHFFFAOYSA-N -1 0 300.292 0.677 50 0 DCAARM CS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000299742246 533441167 /nfs/dbraw/zinc/44/11/67/533441167.db2.gz AVJWRDQELZKCEY-NWDGAFQWSA-N -1 0 311.359 0.470 50 0 DCAARM COc1cncc(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c1 ZINC000284059341 131045422 /nfs/dbraw/zinc/04/54/22/131045422.db2.gz SXXVEDBJMWQWJZ-KWQFWETISA-N -1 0 300.336 0.716 50 0 DCAARM Cn1ncc(C(=O)[O-])c1C(=O)NCCn1ccc(C2CC2)n1 ZINC000012397562 395687639 /nfs/dbraw/zinc/68/76/39/395687639.db2.gz FBIOMIWOHQPVCT-UHFFFAOYSA-N -1 0 303.322 0.622 50 0 DCAARM O=C([O-])CCCc1nc(-c2cnc3n(c2=O)CCS3)no1 ZINC000000107306 395679774 /nfs/dbraw/zinc/67/97/74/395679774.db2.gz IGDNZDPCHBJZSV-UHFFFAOYSA-N -1 0 308.319 0.806 50 0 DCAARM CS(=O)(=O)N1CCC(c2nc(CC(=O)[O-])cs2)CC1 ZINC000032198643 395709344 /nfs/dbraw/zinc/70/93/44/395709344.db2.gz WQUKOLQRUPMLAU-UHFFFAOYSA-N -1 0 304.393 0.909 50 0 DCAARM Cc1nc(C)c(C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])s1 ZINC000032095884 395709477 /nfs/dbraw/zinc/70/94/77/395709477.db2.gz YAMKNFSZLXCIML-MRVPVSSYSA-N -1 0 314.367 0.391 50 0 DCAARM CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037838920 395729378 /nfs/dbraw/zinc/72/93/78/395729378.db2.gz ATPJHOMOFFLYRM-LLVKDONJSA-N -1 0 312.347 0.284 50 0 DCAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000037863541 395729404 /nfs/dbraw/zinc/72/94/04/395729404.db2.gz HMVZVXLNTAOIEO-GFCCVEGCSA-N -1 0 311.359 0.778 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100061357 395762519 /nfs/dbraw/zinc/76/25/19/395762519.db2.gz SHYZHEQLCKMYAP-VHSXEESVSA-N -1 0 321.720 0.639 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000100905251 395764011 /nfs/dbraw/zinc/76/40/11/395764011.db2.gz TYIZLMGPWRYNPD-RYUDHWBXSA-N -1 0 315.329 0.629 50 0 DCAARM C[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)[O-] ZINC000049548374 395832529 /nfs/dbraw/zinc/83/25/29/395832529.db2.gz JFSJTKJIZRLUQW-VIFPVBQESA-N -1 0 319.292 0.639 50 0 DCAARM COc1cc(OC)c(C(=O)N[C@@H](C)c2nc(=O)[n-][nH]2)cc1OC ZINC000221282278 395850100 /nfs/dbraw/zinc/85/01/00/395850100.db2.gz YAKKFTYYEONICU-ZETCQYMHSA-N -1 0 322.321 0.615 50 0 DCAARM O=C(NCCCn1cncn1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000223067994 395853436 /nfs/dbraw/zinc/85/34/36/395853436.db2.gz CXCHQQMSBFALIJ-UHFFFAOYSA-N -1 0 312.333 0.577 50 0 DCAARM C[C@H]1CCc2[nH]nc(C(=O)NCCn3[n-]c(=O)ccc3=O)c2C1 ZINC000067673301 396031156 /nfs/dbraw/zinc/03/11/56/396031156.db2.gz RBBJOMKFFMFIGG-VIFPVBQESA-N -1 0 317.349 0.227 50 0 DCAARM CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000261799137 396067579 /nfs/dbraw/zinc/06/75/79/396067579.db2.gz KXLWDOCCADVFLC-QMMMGPOBSA-N -1 0 316.335 0.043 50 0 DCAARM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@H]1CCCOC1 ZINC000262210632 396111403 /nfs/dbraw/zinc/11/14/03/396111403.db2.gz PSQJVBJTPXWIBV-NEPJUHHUSA-N -1 0 312.366 0.195 50 0 DCAARM CC[C@H](C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000071333644 396112564 /nfs/dbraw/zinc/11/25/64/396112564.db2.gz MFIRDZWODIBWLA-BONVTDFDSA-N -1 0 321.377 0.738 50 0 DCAARM O=C([O-])C1(CNC(=O)[C@H]2Cc3ccccc3O2)CCOCC1 ZINC000262343350 396127615 /nfs/dbraw/zinc/12/76/15/396127615.db2.gz UOUCVZQQHLFXMQ-CYBMUJFWSA-N -1 0 305.330 0.988 50 0 DCAARM COc1ccccc1[C@H](C)N(C)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000069391555 396077179 /nfs/dbraw/zinc/07/71/79/396077179.db2.gz IDTIRBFZNVMHEW-NSHDSACASA-N -1 0 317.345 0.765 50 0 DCAARM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000069571093 396083562 /nfs/dbraw/zinc/08/35/62/396083562.db2.gz CXPWRXDHNGKCRD-ZETCQYMHSA-N -1 0 321.376 0.765 50 0 DCAARM C[C@@H](C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1)n1cccn1 ZINC000262499391 396147719 /nfs/dbraw/zinc/14/77/19/396147719.db2.gz HVEIFIFJXTUDTN-NSHDSACASA-N -1 0 322.365 0.226 50 0 DCAARM NC(=O)c1cccc(OCCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000262718184 396175689 /nfs/dbraw/zinc/17/56/89/396175689.db2.gz TYOCUKLBCOAPOD-LBPRGKRZSA-N -1 0 306.318 0.630 50 0 DCAARM CCCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000263050923 396199300 /nfs/dbraw/zinc/19/93/00/396199300.db2.gz WWOLDSZPMHVWDT-RYUDHWBXSA-N -1 0 312.366 0.337 50 0 DCAARM COCc1cc(NC(=O)[C@H](C)S(C)(=O)=O)cc(C(=O)[O-])c1 ZINC000263112576 396201956 /nfs/dbraw/zinc/20/19/56/396201956.db2.gz PYRQNBSMKRJOQP-QMMMGPOBSA-N -1 0 315.347 0.903 50 0 DCAARM N=c1nn[n-]n1CC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000584900747 396636406 /nfs/dbraw/zinc/63/64/06/396636406.db2.gz LBPCDJGMLAXTLL-AAEUAGOBSA-N -1 0 318.356 0.752 50 0 DCAARM Cn1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1=O ZINC000329160656 159068680 /nfs/dbraw/zinc/06/86/80/159068680.db2.gz FHIHVUJWAQRMGS-JTQLQIEISA-N -1 0 303.322 0.576 50 0 DCAARM CC(C)c1nc(SCC(=O)[O-])c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000007347062 415137221 /nfs/dbraw/zinc/13/72/21/415137221.db2.gz UXABAHTVJBPNIP-UHFFFAOYSA-N -1 0 324.362 0.327 50 0 DCAARM CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000269108710 415249594 /nfs/dbraw/zinc/24/95/94/415249594.db2.gz GZYSJFJEDRGDFC-SECBINFHSA-N -1 0 316.335 0.185 50 0 DCAARM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C(CC)CC ZINC000069815709 415399810 /nfs/dbraw/zinc/39/98/10/415399810.db2.gz MJVJCOUWXIXTKW-LLVKDONJSA-N -1 0 320.411 0.811 50 0 DCAARM C[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)[O-] ZINC000067640751 415379187 /nfs/dbraw/zinc/37/91/87/415379187.db2.gz BBJLSTDUCMWHGP-MRVPVSSYSA-N -1 0 307.331 0.561 50 0 DCAARM CCO[P@](=O)([O-])CO[C@@H](C)Cn1cnc2c1ncnc2N ZINC000085210532 415506456 /nfs/dbraw/zinc/50/64/56/415506456.db2.gz RKTDGEHXFPNCDC-QMMMGPOBSA-N -1 0 315.270 0.993 50 0 DCAARM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]O[C@@H]1CCCCO1 ZINC000102097593 415594825 /nfs/dbraw/zinc/59/48/25/415594825.db2.gz LLKMIGZKFYRLSD-NQBHXWOUSA-N -1 0 310.350 0.736 50 0 DCAARM CN(C)c1nsc(N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)n1 ZINC000299793680 416069092 /nfs/dbraw/zinc/06/90/92/416069092.db2.gz HNOJHLBXDNYOBN-JGVFFNPUSA-N -1 0 323.382 0.417 50 0 DCAARM CCNc1nc(C)c(C(=O)NCc2c[nH]c(=O)[nH]c2=O)s1 ZINC000215474803 416327247 /nfs/dbraw/zinc/32/72/47/416327247.db2.gz FHHJJYSRCCYJKR-UHFFFAOYSA-N -1 0 309.351 0.190 50 0 DCAARM CCN1C[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1=O ZINC000236830453 416328453 /nfs/dbraw/zinc/32/84/53/416328453.db2.gz UVTLWUWHAPBZBB-KGLIPLIRSA-N -1 0 316.357 0.893 50 0 DCAARM CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000492233013 287573429 /nfs/dbraw/zinc/57/34/29/287573429.db2.gz RSZVCCKKCNDYMO-QUCGXOGASA-N -1 0 303.318 0.388 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000299741159 229376776 /nfs/dbraw/zinc/37/67/76/229376776.db2.gz DDSDIHKFMHUOPQ-MRVPVSSYSA-N -1 0 321.724 0.862 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000299753937 229399604 /nfs/dbraw/zinc/39/96/04/229399604.db2.gz ZWFUXCIANCAQLV-LBPRGKRZSA-N -1 0 321.329 0.702 50 0 DCAARM CO[C@]12CCN(C(=O)CCc3cc(=O)[n-]o3)[C@H]1C[C@H](O)CC2 ZINC000299776849 294882844 /nfs/dbraw/zinc/88/28/44/294882844.db2.gz MLZXSUVLLFUOCI-IFUGULHKSA-N -1 0 310.350 0.844 50 0 DCAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000261766790 297660872 /nfs/dbraw/zinc/66/08/72/297660872.db2.gz QIGRTSHDCPRYII-GXFFZTMASA-N -1 0 321.329 0.965 50 0 DCAARM NC(=O)Cc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000299748775 534367351 /nfs/dbraw/zinc/36/73/51/534367351.db2.gz IDNIKVBNZAXJEB-CYBMUJFWSA-N -1 0 320.345 0.559 50 0 DCAARM O=C([O-])[C@H](c1cccc(Br)c1)S(=O)(=O)CCO ZINC000328598528 534531056 /nfs/dbraw/zinc/53/10/56/534531056.db2.gz MQTBSNYNTAHHHD-VIFPVBQESA-N -1 0 323.164 0.982 50 0 DCAARM Cc1noc(-c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000408513441 534875018 /nfs/dbraw/zinc/87/50/18/534875018.db2.gz HNUUKZYISIMEDU-GFCCVEGCSA-N -1 0 317.301 0.971 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000238044295 526318552 /nfs/dbraw/zinc/31/85/52/526318552.db2.gz SAJNARNAODLPSB-GFCCVEGCSA-N -1 0 315.333 0.806 50 0 DCAARM C[C@H](NC(=O)CN1CCOc2ccccc2C1)c1nc(=O)[nH][nH]1 ZINC000216041838 545938627 /nfs/dbraw/zinc/93/86/27/545938627.db2.gz OSKXUMHVVBEQRK-JTQLQIEISA-N -1 0 317.349 0.170 50 0 DCAARM C[C@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000262818236 545986256 /nfs/dbraw/zinc/98/62/56/545986256.db2.gz PHHGZRYYLSRPBE-RISCZKNCSA-N -1 0 317.407 0.961 50 0 DCAARM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(F)cc1 ZINC000666078041 546423219 /nfs/dbraw/zinc/42/32/19/546423219.db2.gz WPKNMDWRYLBXOS-LLVKDONJSA-N -1 0 315.322 0.078 50 0 DCAARM CNC(=O)c1[nH]nnc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000874434546 665175145 /nfs/dbraw/zinc/17/51/45/665175145.db2.gz UMZILJSTULXDIG-UHFFFAOYSA-N -1 0 309.351 0.582 50 0 DCAARM CCc1nc(C)ccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000072457467 685075758 /nfs/dbraw/zinc/07/57/58/685075758.db2.gz BZUPZVVKMBVGFN-CYBMUJFWSA-N -1 0 308.334 0.643 50 0 DCAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](CC(=O)Nc1ccccc1)C2 ZINC001772705191 1157843820 /nfs/dbraw/zinc/84/38/20/1157843820.db2.gz XKYLONZIOQCYKJ-GASCZTMLSA-N -1 0 304.302 0.486 50 0 DCAARM C[C@@H](Nc1ncc(F)c(N(C)C)n1)c1n[nH]c(CC(=O)[O-])n1 ZINC001772708814 1157846618 /nfs/dbraw/zinc/84/66/18/1157846618.db2.gz FMABDAZURMZZOS-ZCFIWIBFSA-N -1 0 309.305 0.600 50 0 DCAARM COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)[O-] ZINC000000488982 1158674064 /nfs/dbraw/zinc/67/40/64/1158674064.db2.gz NHKYSERBWAEUMK-AMIZOPFISA-N -1 0 321.285 0.948 50 0 DCAARM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@H]1c1nnn[n-]1 ZINC000585087437 766274094 /nfs/dbraw/zinc/27/40/94/766274094.db2.gz HLOBKZDCDUPUDS-NXEZZACHSA-N -1 0 322.369 0.873 50 0 DCAARM O=C(CCCN1CCCCC1=O)NC1(C(=O)[O-])CCOCC1 ZINC001506418445 1017262891 /nfs/dbraw/zinc/26/28/91/1017262891.db2.gz SWYNZYRPEKQHMR-UHFFFAOYSA-N -1 0 312.366 0.529 50 0 DCAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1CC(=O)NCc1cccs1 ZINC000095497794 185374295 /nfs/dbraw/zinc/37/42/95/185374295.db2.gz VIBDCSJVJRFXDN-GFCCVEGCSA-N -1 0 320.374 0.599 50 0 DCAARM C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000090276912 185289129 /nfs/dbraw/zinc/28/91/29/185289129.db2.gz UKRAVVVAILFGIR-SNVBAGLBSA-N -1 0 311.718 0.593 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000262016547 530027567 /nfs/dbraw/zinc/02/75/67/530027567.db2.gz LDOGYSZYSYKJKP-QMMMGPOBSA-N -1 0 316.335 0.125 50 0 DCAARM CC1(C)[C@H](C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H]1C(=O)[O-] ZINC000071280286 190952136 /nfs/dbraw/zinc/95/21/36/190952136.db2.gz BWONXPRRGAISFT-WDEREUQCSA-N -1 0 301.306 0.958 50 0 DCAARM C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000237493439 186297383 /nfs/dbraw/zinc/29/73/83/186297383.db2.gz FLPZNYUBFUZPCO-RYUDHWBXSA-N -1 0 323.368 0.926 50 0 DCAARM Cc1nc(CCC(=O)[O-])cc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000072343989 191127470 /nfs/dbraw/zinc/12/74/70/191127470.db2.gz DSXYSOHYKDPIOD-GFCCVEGCSA-N -1 0 313.379 0.899 50 0 DCAARM O=C([O-])C1(n2ccnc2)CCN(c2ncnc3nc[nH]c32)CC1 ZINC000072409851 191154527 /nfs/dbraw/zinc/15/45/27/191154527.db2.gz PZYOFOQMZQBYFM-UHFFFAOYSA-N -1 0 313.321 0.630 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174249284 198310126 /nfs/dbraw/zinc/31/01/26/198310126.db2.gz KTOQJDUMTPKLHU-DZGCQCFKSA-N -1 0 309.387 0.983 50 0 DCAARM CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004070940 181069808 /nfs/dbraw/zinc/06/98/08/181069808.db2.gz IBEKICGYLZCGQM-SECBINFHSA-N -1 0 301.320 0.599 50 0 DCAARM O=C([O-])CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000004118051 181075477 /nfs/dbraw/zinc/07/54/77/181075477.db2.gz ROEKDGAPNBCYJZ-UHFFFAOYSA-N -1 0 321.358 0.538 50 0 DCAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)NCC(=O)[O-] ZINC000004204632 181084801 /nfs/dbraw/zinc/08/48/01/181084801.db2.gz GCVTVGACEFASLT-UHFFFAOYSA-N -1 0 302.308 0.017 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000004872251 181167095 /nfs/dbraw/zinc/16/70/95/181167095.db2.gz TYIZLMGPWRYNPD-VXGBXAGGSA-N -1 0 315.329 0.629 50 0 DCAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000050922034 304062451 /nfs/dbraw/zinc/06/24/51/304062451.db2.gz RVBVHJFUHDPWOX-WDEREUQCSA-N -1 0 303.380 0.667 50 0 DCAARM Cn1c2ccccc2n(CCC(=O)N2CCC[C@@H]2C(=O)[O-])c1=O ZINC000178276149 198841215 /nfs/dbraw/zinc/84/12/15/198841215.db2.gz LJKBOEPRTBNJBH-CYBMUJFWSA-N -1 0 317.345 0.806 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1cccc(-n2cnnn2)c1 ZINC000426652822 240352517 /nfs/dbraw/zinc/35/25/17/240352517.db2.gz FEOYVFCXIICPHC-LBPRGKRZSA-N -1 0 317.305 0.117 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000262459631 238174511 /nfs/dbraw/zinc/17/45/11/238174511.db2.gz VFMSYQMBVWOMIW-JQWIXIFHSA-N -1 0 318.329 0.815 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000091410285 193051742 /nfs/dbraw/zinc/05/17/42/193051742.db2.gz WMSSXWBWMLSADU-HNNXBMFYSA-N -1 0 308.334 0.718 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000263061698 304131013 /nfs/dbraw/zinc/13/10/13/304131013.db2.gz YHQCXZNLITWIGY-PWSUYJOCSA-N -1 0 304.302 0.424 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000088374321 304135474 /nfs/dbraw/zinc/13/54/74/304135474.db2.gz KBLISVJNDNDDAU-CMPLNLGQSA-N -1 0 311.721 0.956 50 0 DCAARM CCCn1cc(CN(C)C(=O)c2nn(C)cc2C(=O)[O-])cn1 ZINC000012397572 181757057 /nfs/dbraw/zinc/75/70/57/181757057.db2.gz HXKOKDRTHDUCFM-UHFFFAOYSA-N -1 0 305.338 0.997 50 0 DCAARM CC(NCCCO)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020292310 182203267 /nfs/dbraw/zinc/20/32/67/182203267.db2.gz OQQRZOOVDNWHGK-ZRDIBKRKSA-N -1 0 309.366 0.644 50 0 DCAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000020614524 182238875 /nfs/dbraw/zinc/23/88/75/182238875.db2.gz JWLCVAPSKUJUHJ-UHFFFAOYSA-N -1 0 315.333 0.476 50 0 DCAARM O=C([O-])CCCN1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000021155058 182267281 /nfs/dbraw/zinc/26/72/81/182267281.db2.gz KBADOJXKZPBCKX-UHFFFAOYSA-N -1 0 308.309 0.861 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000008996029 304185079 /nfs/dbraw/zinc/18/50/79/304185079.db2.gz AJQUINMOGWOZIL-LLVKDONJSA-N -1 0 317.301 0.178 50 0 biogenic DCAARM COC(=O)[C@H](CO)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000574217561 291682040 /nfs/dbraw/zinc/68/20/40/291682040.db2.gz STZAKAWKYJRUPD-QMMMGPOBSA-N -1 0 307.224 0.675 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000065565524 184367187 /nfs/dbraw/zinc/36/71/87/184367187.db2.gz MHWGGEIROSCLRI-CQSZACIVSA-N -1 0 313.357 0.770 50 0 DCAARM Cn1c2ccccc2cc(C(=O)NCCCc2nnn[n-]2)c1=O ZINC000426635604 257245015 /nfs/dbraw/zinc/24/50/15/257245015.db2.gz WEQUEUWKWPBGGX-UHFFFAOYSA-N -1 0 312.333 0.414 50 0 DCAARM O=C([O-])CN1C(=O)S[C@H](CC(=O)Nc2nccs2)C1=O ZINC000001889462 395681256 /nfs/dbraw/zinc/68/12/56/395681256.db2.gz MMCKQJDWAUYXKX-RXMQYKEDSA-N -1 0 315.332 0.620 50 0 DCAARM Cc1nc(-n2cccc2)sc1C(=O)NCC(=O)NCC(=O)[O-] ZINC000036358924 395723412 /nfs/dbraw/zinc/72/34/12/395723412.db2.gz DEAFGIRZAXXGRC-UHFFFAOYSA-N -1 0 322.346 0.173 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000100059263 395762494 /nfs/dbraw/zinc/76/24/94/395762494.db2.gz OCYOUKBIWMOJHK-QWRGUYRKSA-N -1 0 301.302 0.294 50 0 DCAARM CCOc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000100062380 395762729 /nfs/dbraw/zinc/76/27/29/395762729.db2.gz UMDBHGHZVHNQDX-GHMZBOCLSA-N -1 0 317.301 0.076 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100510437 395763211 /nfs/dbraw/zinc/76/32/11/395763211.db2.gz ZSWXBPWBKTXLBE-WDEREUQCSA-N -1 0 317.301 0.076 50 0 DCAARM CN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C(=O)[O-] ZINC000071278963 396111529 /nfs/dbraw/zinc/11/15/29/396111529.db2.gz MJHRZGMQFQMNGJ-LBPRGKRZSA-N -1 0 315.333 0.313 50 0 DCAARM CNS(=O)(=O)c1csc(C(=O)NCCCCC(=O)[O-])c1 ZINC000262314318 396122042 /nfs/dbraw/zinc/12/20/42/396122042.db2.gz DEPJLNUBHMPZKE-UHFFFAOYSA-N -1 0 320.392 0.641 50 0 DCAARM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000262350747 396128987 /nfs/dbraw/zinc/12/89/87/396128987.db2.gz YWWQJGHIOZTZJB-NSHDSACASA-N -1 0 312.347 0.149 50 0 DCAARM Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000072287051 396130070 /nfs/dbraw/zinc/13/00/70/396130070.db2.gz MOCIDFLKCMMLDA-SNVBAGLBSA-N -1 0 307.306 0.674 50 0 DCAARM O=C([O-])c1cccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000262582725 396158391 /nfs/dbraw/zinc/15/83/91/396158391.db2.gz GABMFKNINDSRTM-UHFFFAOYSA-N -1 0 317.345 0.911 50 0 DCAARM Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000262833173 396186067 /nfs/dbraw/zinc/18/60/67/396186067.db2.gz YBPYCESJUWABQL-CYBMUJFWSA-N -1 0 320.345 0.345 50 0 DCAARM Cc1oc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000262948323 396194042 /nfs/dbraw/zinc/19/40/42/396194042.db2.gz OGKRYJHKJAYAPJ-JGVFFNPUSA-N -1 0 316.335 0.219 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1 ZINC000263015054 396197671 /nfs/dbraw/zinc/19/76/71/396197671.db2.gz RTAKSQRFGCOOBQ-ZDUSSCGKSA-N -1 0 318.329 0.739 50 0 DCAARM O=c1[n-]c(CCNc2ccc3nnc(-c4ccccc4)n3n2)n[nH]1 ZINC000079017220 396259960 /nfs/dbraw/zinc/25/99/60/396259960.db2.gz NYXQFXCBWWDECN-UHFFFAOYSA-N -1 0 322.332 0.857 50 0 DCAARM CCOc1ccncc1S(=O)(=O)N(CC(=O)[O-])C(C)C ZINC000263493116 396219184 /nfs/dbraw/zinc/21/91/84/396219184.db2.gz PPCZBLCQCKTSSF-UHFFFAOYSA-N -1 0 302.352 0.964 50 0 DCAARM Cc1c(Cl)cccc1C(=O)NCCC(=O)[N-]S(C)(=O)=O ZINC000193011833 396442519 /nfs/dbraw/zinc/44/25/19/396442519.db2.gz QLGLCCQPIPCICC-UHFFFAOYSA-N -1 0 318.782 0.844 50 0 DCAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000630249659 396970030 /nfs/dbraw/zinc/97/00/30/396970030.db2.gz OHZZGMBBTLVMSW-OAHLLOKOSA-N -1 0 307.302 0.774 50 0 DCAARM CN1CC[C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000172359471 158393839 /nfs/dbraw/zinc/39/38/39/158393839.db2.gz SAJCAORLAIGOCD-CYBMUJFWSA-N -1 0 304.346 0.912 50 0 DCAARM Cn1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)n1 ZINC000329448538 159093274 /nfs/dbraw/zinc/09/32/74/159093274.db2.gz DCMPHZMVZQWFJZ-UHFFFAOYSA-N -1 0 313.301 0.810 50 0 DCAARM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000005576387 415134630 /nfs/dbraw/zinc/13/46/30/415134630.db2.gz YKGNFQSXCHNISB-GARJFASQSA-N -1 0 303.380 0.523 50 0 DCAARM Cc1cccc(C)c1CS(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000296999823 415945671 /nfs/dbraw/zinc/94/56/71/415945671.db2.gz QVOSUKPFTRHZNH-CYBMUJFWSA-N -1 0 313.375 0.919 50 0 DCAARM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000299749130 416063920 /nfs/dbraw/zinc/06/39/20/416063920.db2.gz JJTCIUBQSKAPHO-RCWTZXSCSA-N -1 0 303.380 0.521 50 0 DCAARM O=C(NCCc1noc([C@H]2CCCO2)n1)c1ncccc1O ZINC000215597439 416327045 /nfs/dbraw/zinc/32/70/45/416327045.db2.gz JWWWOSLHRFQOTK-SNVBAGLBSA-N -1 0 304.306 0.994 50 0 DCAARM COCCN1C[C@H](CNC(=O)c2cccc(F)c2[O-])CC1=O ZINC000216392465 416327460 /nfs/dbraw/zinc/32/74/60/416327460.db2.gz MGSJHLLUZGSGIF-JTQLQIEISA-N -1 0 310.325 0.756 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000238102598 416329730 /nfs/dbraw/zinc/32/97/30/416329730.db2.gz KNWNBXIHCBNLKT-LBPRGKRZSA-N -1 0 300.318 0.873 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000238100938 416329798 /nfs/dbraw/zinc/32/97/98/416329798.db2.gz DDSDIHKFMHUOPQ-QMMMGPOBSA-N -1 0 321.724 0.862 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CSc3ccccc3O2)CCO1 ZINC000583650595 416480213 /nfs/dbraw/zinc/48/02/13/416480213.db2.gz PAVPLUGFVHSFDE-WDEREUQCSA-N -1 0 309.343 0.852 50 0 DCAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC000656239189 418338173 /nfs/dbraw/zinc/33/81/73/418338173.db2.gz WGXUORNAXTZDMR-GHMZBOCLSA-N -1 0 317.407 0.913 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)OCCO2 ZINC000299748959 229390750 /nfs/dbraw/zinc/39/07/50/229390750.db2.gz IRENPUAFPDCHBM-UHFFFAOYSA-N -1 0 309.318 0.560 50 0 DCAARM COCCn1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000262675830 292736997 /nfs/dbraw/zinc/73/69/97/292736997.db2.gz RALGPHVBHSCJFD-LLVKDONJSA-N -1 0 317.367 0.157 50 0 DCAARM O=S(=O)([N-]n1cnnc1)c1ccc(Br)cc1 ZINC000000299853 304768051 /nfs/dbraw/zinc/76/80/51/304768051.db2.gz UQWZMCVERCCWHA-UHFFFAOYSA-N -1 0 303.141 0.973 50 0 DCAARM Cc1cn(C)c(CC(=O)NCCN2CCOCC2)c1C(=O)[O-] ZINC000064980539 302317806 /nfs/dbraw/zinc/31/78/06/302317806.db2.gz HLAFFHQBHZJEBM-UHFFFAOYSA-N -1 0 309.366 0.023 50 0 DCAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCc1ccc(F)cc1 ZINC000004727560 303506839 /nfs/dbraw/zinc/50/68/39/303506839.db2.gz VJJSCGZDJZHBEQ-UHFFFAOYSA-N -1 0 324.337 0.801 50 0 DCAARM NC(=O)[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000262678762 534460146 /nfs/dbraw/zinc/46/01/46/534460146.db2.gz ZFFOWLCZLYYVCA-GFCCVEGCSA-N -1 0 306.318 0.030 50 0 DCAARM NC(=O)c1cccc(OCCC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000299752381 534497929 /nfs/dbraw/zinc/49/79/29/534497929.db2.gz TYOCUKLBCOAPOD-GFCCVEGCSA-N -1 0 306.318 0.630 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccccc2)n1 ZINC000238033822 527659697 /nfs/dbraw/zinc/65/96/97/527659697.db2.gz SAJNARNAODLPSB-LBPRGKRZSA-N -1 0 315.333 0.806 50 0 DCAARM Cc1nc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000041010855 545648293 /nfs/dbraw/zinc/64/82/93/545648293.db2.gz BYRDLYKXIODBNF-SECBINFHSA-N -1 0 319.408 0.583 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CCO1 ZINC000262420663 545984985 /nfs/dbraw/zinc/98/49/85/545984985.db2.gz QBIGSYGEVDQHMU-GFCCVEGCSA-N -1 0 319.317 0.142 50 0 DCAARM COc1cncc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263030868 545986032 /nfs/dbraw/zinc/98/60/32/545986032.db2.gz BHKQFMGBFLOKIG-LDYMZIIASA-N -1 0 300.336 0.431 50 0 DCAARM C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1nnc(CC(=O)[O-])[n-]1 ZINC000426575193 661623736 /nfs/dbraw/zinc/62/37/36/661623736.db2.gz ZGEDCWNPBYNHML-VIFPVBQESA-N -1 0 309.370 0.483 50 0 DCAARM CNC(=O)c1[nH]nnc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000874434432 665175161 /nfs/dbraw/zinc/17/51/61/665175161.db2.gz NWQUVMAHLUUYOS-UHFFFAOYSA-N -1 0 309.351 0.582 50 0 DCAARM Cc1cc(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c(F)cc1F ZINC000864092284 667214168 /nfs/dbraw/zinc/21/41/68/667214168.db2.gz OJFPLDYGFYAKAU-ZETCQYMHSA-N -1 0 309.290 0.387 50 0 DCAARM CCn1nc(C(C)C)cc1C(=O)N1CCN(C)[C@@H](C(=O)[O-])C1 ZINC000067676165 685069309 /nfs/dbraw/zinc/06/93/09/685069309.db2.gz PNSHXWUOQHEYMW-CYBMUJFWSA-N -1 0 308.382 0.867 50 0 DCAARM CCn1nc(Cc2ccc(OC)cc2)nc1Cn1[n-]nnc1=N ZINC000824674594 758780127 /nfs/dbraw/zinc/78/01/27/758780127.db2.gz RGUYUKUVORKPLZ-UHFFFAOYSA-N -1 0 314.353 0.345 50 0 DCAARM CC(=O)N(C)CC(=O)Nc1nccc(Br)c1[O-] ZINC000585128741 766290400 /nfs/dbraw/zinc/29/04/00/766290400.db2.gz MJXLHXNXGVSEBI-UHFFFAOYSA-N -1 0 302.128 0.967 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000165374424 197675250 /nfs/dbraw/zinc/67/52/50/197675250.db2.gz JALWASLCZSDUOP-LLVKDONJSA-N -1 0 308.309 0.765 50 0 DCAARM COc1ccc(CN2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1OC ZINC000170622851 197794030 /nfs/dbraw/zinc/79/40/30/197794030.db2.gz GZWTUPGHDHOLEC-SECBINFHSA-N -1 0 308.290 0.599 50 0 DCAARM CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1O)C2 ZINC000072172922 191069677 /nfs/dbraw/zinc/06/96/77/191069677.db2.gz PTFZTTSRKNQLTN-UHFFFAOYSA-N -1 0 314.345 0.740 50 0 DCAARM Cc1cc(C(=O)[O-])nc(N2CCN(c3ncccn3)CC2)n1 ZINC000072240809 191084109 /nfs/dbraw/zinc/08/41/09/191084109.db2.gz VBSYQOHXQRTYAA-UHFFFAOYSA-N -1 0 300.322 0.600 50 0 DCAARM C[S@@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000004195892 181083907 /nfs/dbraw/zinc/08/39/07/181083907.db2.gz OHBLCPSPVBXNBB-MGNBDDOMSA-N -1 0 305.377 0.187 50 0 DCAARM O=C([N-]C(=O)c1ccc(F)cc1)O[C@@H]1CCS(=O)(=O)C1 ZINC000004580461 181126686 /nfs/dbraw/zinc/12/66/86/181126686.db2.gz SFPCQYGJEWGKNB-SNVBAGLBSA-N -1 0 301.295 0.879 50 0 DCAARM O=S(=O)([O-])C[C@@H](O)CSc1nnnn1-c1ccccc1 ZINC000004831614 181158639 /nfs/dbraw/zinc/15/86/39/181158639.db2.gz MVCQCFMCEAKWOZ-VIFPVBQESA-N -1 0 316.364 0.003 50 0 DCAARM COc1ccc(C(=O)CSc2n[nH]c(=O)[n-]c2=O)c(OC)c1 ZINC000005183715 181214246 /nfs/dbraw/zinc/21/42/46/181214246.db2.gz CTJPQCFHKUZXLK-UHFFFAOYSA-N -1 0 323.330 0.450 50 0 DCAARM O=C([N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000005257455 181223203 /nfs/dbraw/zinc/22/32/03/181223203.db2.gz LFSLEZFXBFWJEN-JTQLQIEISA-N -1 0 318.376 0.325 50 0 DCAARM Cc1ccc(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])o1 ZINC000005547653 181256267 /nfs/dbraw/zinc/25/62/67/181256267.db2.gz VJKGDEVIJQIDSB-KBVBSXBZSA-N -1 0 324.358 0.833 50 0 DCAARM CC[S@@](=O)CCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005599519 181262285 /nfs/dbraw/zinc/26/22/85/181262285.db2.gz CAFAHGPCKKNPCZ-IBGZPJMESA-N -1 0 318.420 0.752 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000262459630 304084099 /nfs/dbraw/zinc/08/40/99/304084099.db2.gz VFMSYQMBVWOMIW-CMPLNLGQSA-N -1 0 318.329 0.815 50 0 DCAARM Cc1ccc(-c2nnn(CC(=O)N3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000237812348 202361114 /nfs/dbraw/zinc/36/11/14/202361114.db2.gz VABINNOSKZOSLL-GFCCVEGCSA-N -1 0 315.333 0.582 50 0 DCAARM Cc1ccc2ncc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)n2c1 ZINC000237906869 202385291 /nfs/dbraw/zinc/38/52/91/202385291.db2.gz OSSPODQCVIGVSG-LLVKDONJSA-N -1 0 315.329 0.940 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000262409876 238173472 /nfs/dbraw/zinc/17/34/72/238173472.db2.gz CWCSWWWPVCWXBU-ZDUSSCGKSA-N -1 0 316.317 0.583 50 0 DCAARM CC(C)[C@@H](NS(=O)(=O)c1csc(C(N)=O)c1)C(=O)[O-] ZINC000006681473 181370310 /nfs/dbraw/zinc/37/03/10/181370310.db2.gz PCJOCUWYEVCQGO-MRVPVSSYSA-N -1 0 306.365 0.235 50 0 DCAARM Cn1cc(NC(=O)CCC(=O)[O-])c(C(=O)NCc2ccco2)n1 ZINC000006828034 181395650 /nfs/dbraw/zinc/39/56/50/181395650.db2.gz QCRHIUQKLNETMS-UHFFFAOYSA-N -1 0 320.305 0.746 50 0 DCAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC000091550389 193072780 /nfs/dbraw/zinc/07/27/80/193072780.db2.gz SUJKTNDUPAOVMG-CYBMUJFWSA-N -1 0 320.411 0.549 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000268973216 304136008 /nfs/dbraw/zinc/13/60/08/304136008.db2.gz ICHNOVADZVJMKL-JTQLQIEISA-N -1 0 322.342 0.656 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000017886112 182086943 /nfs/dbraw/zinc/08/69/43/182086943.db2.gz KNLOLCCCXCVSNW-WDEREUQCSA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000018100953 182093429 /nfs/dbraw/zinc/09/34/29/182093429.db2.gz ZSWXBPWBKTXLBE-MNOVXSKESA-N -1 0 317.301 0.076 50 0 DCAARM Cc1nn(C)c(C)c1CN(C)C(=O)c1c(C(=O)[O-])cnn1C ZINC000020318486 182206174 /nfs/dbraw/zinc/20/61/74/182206174.db2.gz WJUKMWMOTGKKFM-UHFFFAOYSA-N -1 0 305.338 0.741 50 0 DCAARM O=C(NC1CC1)[C@@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000040478776 183076048 /nfs/dbraw/zinc/07/60/48/183076048.db2.gz KOUCXUPRKJMTOJ-MRVPVSSYSA-N -1 0 319.390 0.875 50 0 DCAARM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOCC1 ZINC000040510306 183086325 /nfs/dbraw/zinc/08/63/25/183086325.db2.gz DLJFYSOGMSBFLO-SNVBAGLBSA-N -1 0 320.361 0.964 50 0 DCAARM CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000059880560 184142000 /nfs/dbraw/zinc/14/20/00/184142000.db2.gz ISOVPQYRNREXEX-UHFFFAOYSA-N -1 0 312.347 0.102 50 0 DCAARM Cn1c2ccccc2n(CC(=O)[N-]O[C@H]2CCCCO2)c1=O ZINC000069415182 184512723 /nfs/dbraw/zinc/51/27/23/184512723.db2.gz VIZJKEKFXGBQKD-AWEZNQCLSA-N -1 0 305.334 0.914 50 0 DCAARM CCCc1noc(CCCC(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000268996293 256624511 /nfs/dbraw/zinc/62/45/11/256624511.db2.gz WPJCDKYETLXMRV-SNVBAGLBSA-N -1 0 311.338 0.657 50 0 DCAARM CC(C)CN1C[C@@H](C(=O)NCCCc2nnn[n-]2)CCC1=O ZINC000426678121 257244163 /nfs/dbraw/zinc/24/41/63/257244163.db2.gz PLNXYUCPZCEYGJ-NSHDSACASA-N -1 0 308.386 0.143 50 0 DCAARM Cc1nc(CCNC(=O)NCc2n[nH]c(=O)[n-]2)sc1Cl ZINC000426602538 257245001 /nfs/dbraw/zinc/24/50/01/257245001.db2.gz QOBOHBUUFQQDDR-UHFFFAOYSA-N -1 0 316.774 0.971 50 0 DCAARM Cc1ccc2nc(C(=O)NCCc3n[nH]c(=O)[n-]3)c(F)n2c1 ZINC000426372208 257252949 /nfs/dbraw/zinc/25/29/49/257252949.db2.gz JPXPAOXXYOPRBK-UHFFFAOYSA-N -1 0 304.285 0.578 50 0 DCAARM CCCn1c([O-])c([C@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000008972317 395685087 /nfs/dbraw/zinc/68/50/87/395685087.db2.gz JIABVBXGCMGDEG-NSHDSACASA-N -1 0 302.286 0.912 50 0 DCAARM NC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1N1CCOCC1 ZINC000015857166 395690223 /nfs/dbraw/zinc/69/02/23/395690223.db2.gz ZJQFMEZCGUJSBC-UHFFFAOYSA-N -1 0 321.333 0.425 50 0 DCAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]n2cnnc2)cc1 ZINC000000437383 395680485 /nfs/dbraw/zinc/68/04/85/395680485.db2.gz WLJKCPIOUKNTGL-UHFFFAOYSA-N -1 0 311.323 0.779 50 0 DCAARM CN(C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000556208 395680592 /nfs/dbraw/zinc/68/05/92/395680592.db2.gz VAEZXBOKUMXNRO-UHFFFAOYSA-N -1 0 300.336 0.740 50 0 DCAARM Cn1cc(NC(=O)CCNC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000002528672 395681537 /nfs/dbraw/zinc/68/15/37/395681537.db2.gz MGYNKSFQJAIIPH-UHFFFAOYSA-N -1 0 312.326 0.972 50 0 DCAARM COc1ccc(OC)c(Cc2c([O-])n(C)c(=O)n(C)c2=O)c1 ZINC000002999922 395682194 /nfs/dbraw/zinc/68/21/94/395682194.db2.gz WPUGXDCFJNHISE-UHFFFAOYSA-N -1 0 306.318 0.913 50 0 DCAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000003280961 395682429 /nfs/dbraw/zinc/68/24/29/395682429.db2.gz RPZLZRBTEXGDMP-UHFFFAOYSA-N -1 0 315.347 0.343 50 0 DCAARM CCn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036611037 395723857 /nfs/dbraw/zinc/72/38/57/395723857.db2.gz ZFIUTISUNPNCGM-DTWKUNHWSA-N -1 0 308.338 0.831 50 0 DCAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000034926438 395718674 /nfs/dbraw/zinc/71/86/74/395718674.db2.gz KBGMSXKDTQTSFZ-VXGBXAGGSA-N -1 0 320.345 0.921 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000035126664 395719095 /nfs/dbraw/zinc/71/90/95/395719095.db2.gz ABLLNOZNQUBCSB-UHFFFAOYSA-N -1 0 320.317 0.356 50 0 DCAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000037589993 395727800 /nfs/dbraw/zinc/72/78/00/395727800.db2.gz VMVXXDFBJWDKDW-WDEREUQCSA-N -1 0 300.355 0.193 50 0 DCAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CN1CSCC1=O ZINC000037863473 395729624 /nfs/dbraw/zinc/72/96/24/395729624.db2.gz SUFJSPORLQHKPH-UHFFFAOYSA-N -1 0 308.359 0.876 50 0 DCAARM CN1C[C@@H](c2nc(C3CCOCC3)nn2CC(=O)[O-])CC1=O ZINC000097527292 395758602 /nfs/dbraw/zinc/75/86/02/395758602.db2.gz JCFBGYQRDJWMPE-JTQLQIEISA-N -1 0 308.338 0.202 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000100057535 395762726 /nfs/dbraw/zinc/76/27/26/395762726.db2.gz PLHWYAWDTNCCGB-UWVGGRQHSA-N -1 0 305.265 0.206 50 0 DCAARM O=c1c(CN2CCOCC2)coc([O-])c1CN1CCOCC1 ZINC000101374569 395764176 /nfs/dbraw/zinc/76/41/76/395764176.db2.gz XFKZPQUVIRCJDJ-UHFFFAOYSA-N -1 0 310.350 0.010 50 0 DCAARM COc1cccc(CNC(=O)c2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000101602064 395765650 /nfs/dbraw/zinc/76/56/50/395765650.db2.gz RIEBRNIFERZTDN-UHFFFAOYSA-N -1 0 313.317 0.665 50 0 DCAARM Cn1c([O-])c(C2=NN[C@@H](c3ccc(F)cc3)C2)c(=O)n(C)c1=O ZINC000101761736 395767381 /nfs/dbraw/zinc/76/73/81/395767381.db2.gz LENXEYPYISCFLG-SNVBAGLBSA-N -1 0 318.308 0.367 50 0 DCAARM O=C([O-])CNC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000049550096 395832598 /nfs/dbraw/zinc/83/25/98/395832598.db2.gz SVMWCFCJSQTIBS-UHFFFAOYSA-N -1 0 305.265 0.250 50 0 DCAARM C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000237128633 395903525 /nfs/dbraw/zinc/90/35/25/395903525.db2.gz ATARVASUZCGFGC-VIFPVBQESA-N -1 0 317.349 0.156 50 0 DCAARM Cc1nonc1OCCNC(=O)c1ccccc1NCC(=O)[O-] ZINC000055269645 395915263 /nfs/dbraw/zinc/91/52/63/395915263.db2.gz GIBUTJNUKGWASQ-UHFFFAOYSA-N -1 0 320.305 0.683 50 0 DCAARM NC(=O)c1ccc(OCCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000261856746 396072826 /nfs/dbraw/zinc/07/28/26/396072826.db2.gz PHQMXRAHXAMJOZ-LLVKDONJSA-N -1 0 306.318 0.488 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000262027930 396091368 /nfs/dbraw/zinc/09/13/68/396091368.db2.gz YKYYPDUAWBTIQL-PWSUYJOCSA-N -1 0 310.350 0.090 50 0 DCAARM COc1ccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)[O-])cc1 ZINC000262081848 396097423 /nfs/dbraw/zinc/09/74/23/396097423.db2.gz DRKFGWIVBHMCKR-ZDUSSCGKSA-N -1 0 319.317 0.545 50 0 DCAARM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@H]1CCCOC1 ZINC000262210639 396111290 /nfs/dbraw/zinc/11/12/90/396111290.db2.gz PSQJVBJTPXWIBV-VXGBXAGGSA-N -1 0 312.366 0.195 50 0 DCAARM CCCC(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000262406545 396136493 /nfs/dbraw/zinc/13/64/93/396136493.db2.gz ARYJCMSPOUWRFY-RYUDHWBXSA-N -1 0 312.366 0.337 50 0 DCAARM COc1cc(C)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000262906454 396191042 /nfs/dbraw/zinc/19/10/42/396191042.db2.gz RAJYMLTVZYVORT-CYBMUJFWSA-N -1 0 309.318 0.938 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccn(-c3ccccc3F)n2)CCO1 ZINC000262916866 396191519 /nfs/dbraw/zinc/19/15/19/396191519.db2.gz DLTPUYDVRZRAIQ-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM CS(=O)(=O)C1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC000263134353 396202898 /nfs/dbraw/zinc/20/28/98/396202898.db2.gz LWWRPUBNIBRBHG-UHFFFAOYSA-N -1 0 311.359 0.968 50 0 DCAARM CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000492232234 397518989 /nfs/dbraw/zinc/51/89/89/397518989.db2.gz PBLYXKQXCALJEY-IRBQFCFKSA-N -1 0 302.330 0.993 50 0 DCAARM COc1ncnc(OC)c1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263029815 158853240 /nfs/dbraw/zinc/85/32/40/158853240.db2.gz PIFPPFAYESGWOX-CQSZACIVSA-N -1 0 309.322 0.821 50 0 DCAARM Cc1c(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2)cnn1C ZINC000291888582 158971063 /nfs/dbraw/zinc/97/10/63/158971063.db2.gz OHIHINVTUBPYNZ-UHFFFAOYSA-N -1 0 323.374 0.948 50 0 DCAARM CCN1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1=O ZINC000358390012 287207775 /nfs/dbraw/zinc/20/77/75/287207775.db2.gz NAUKYSLBOHSVGN-UHFFFAOYSA-N -1 0 316.310 0.334 50 0 DCAARM Cc1n[nH]c(C)c1[C@H](NS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000067640948 415380121 /nfs/dbraw/zinc/38/01/21/415380121.db2.gz UDSXYEZIPVBRNS-JTQLQIEISA-N -1 0 302.356 0.082 50 0 DCAARM CN1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1C(=O)[O-] ZINC000067674349 415380879 /nfs/dbraw/zinc/38/08/79/415380879.db2.gz ZUCACOVUQZDURE-ZETCQYMHSA-N -1 0 306.244 0.269 50 0 DCAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1cc(F)cc2cccnc21 ZINC000095981791 415567156 /nfs/dbraw/zinc/56/71/56/415567156.db2.gz IQDFWIYYCMYEKR-UHFFFAOYSA-N -1 0 301.281 0.758 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000212095737 416327044 /nfs/dbraw/zinc/32/70/44/416327044.db2.gz MTNHVRVNPHORLA-QWHCGFSZSA-N -1 0 322.386 0.720 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)N1CCCN(C(=O)C2CCC2)CC1 ZINC000215680982 416327272 /nfs/dbraw/zinc/32/72/72/416327272.db2.gz XJCOOCXXTBFGAF-UHFFFAOYSA-N -1 0 320.349 0.583 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000216208967 416327527 /nfs/dbraw/zinc/32/75/27/416327527.db2.gz TYZPYBNCKCFTIW-UHFFFAOYSA-N -1 0 315.333 0.461 50 0 DCAARM O=C([O-])CN1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000238161639 416329731 /nfs/dbraw/zinc/32/97/31/416329731.db2.gz QDRXRVXTIJMEEZ-UHFFFAOYSA-N -1 0 310.375 0.918 50 0 DCAARM CCCc1cc(C(=O)N2CCC(c3nnn[n-]3)CC2)n(C)n1 ZINC000244691648 416330968 /nfs/dbraw/zinc/33/09/68/416330968.db2.gz JGPKFLVHAFYTLZ-UHFFFAOYSA-N -1 0 303.370 0.906 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCO1 ZINC000583650551 416479757 /nfs/dbraw/zinc/47/97/57/416479757.db2.gz HWUGLMLZYMCFSU-NSHDSACASA-N -1 0 319.379 0.046 50 0 DCAARM O=C([O-])Cn1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cn1 ZINC000386898005 417092925 /nfs/dbraw/zinc/09/29/25/417092925.db2.gz IDULOFWIBCBMAA-UHFFFAOYSA-N -1 0 317.227 0.822 50 0 DCAARM CC[C@@](C)(NC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(=O)[O-] ZINC000263295557 287389894 /nfs/dbraw/zinc/38/98/94/287389894.db2.gz SISSINDJXRVPNY-BXKDBHETSA-N -1 0 303.380 0.571 50 0 DCAARM O=C([O-])CN1CC[C@H](n2nnnc2/C=C\c2ccccc2)C1=O ZINC000663219376 418001384 /nfs/dbraw/zinc/00/13/84/418001384.db2.gz INICQBJORGWDLZ-DGMVEKRQSA-N -1 0 313.317 0.702 50 0 DCAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1S(N)(=O)=O ZINC000299741848 229377785 /nfs/dbraw/zinc/37/77/85/229377785.db2.gz HFWIXAPIUDVHTK-JTQLQIEISA-N -1 0 312.347 0.189 50 0 DCAARM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000299749132 229391911 /nfs/dbraw/zinc/39/19/11/229391911.db2.gz JJTCIUBQSKAPHO-YTWAJWBKSA-N -1 0 303.380 0.521 50 0 DCAARM Cn1cc(-c2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cs2)cn1 ZINC000299750171 229392737 /nfs/dbraw/zinc/39/27/37/229392737.db2.gz MRQHRYPCAPDMOK-SNVBAGLBSA-N -1 0 322.346 0.469 50 0 DCAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299750059 229393556 /nfs/dbraw/zinc/39/35/56/229393556.db2.gz MOEKBKJRWYVSIB-RNCFNFMXSA-N -1 0 309.366 0.528 50 0 DCAARM NC(=O)COc1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000492295783 272121109 /nfs/dbraw/zinc/12/11/09/272121109.db2.gz MQIRSUZOQONHAR-DMTLFAOVSA-N -1 0 318.329 0.640 50 0 DCAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000236601287 278076827 /nfs/dbraw/zinc/07/68/27/278076827.db2.gz UFUWIBQGWDKNRB-JSGCOSHPSA-N -1 0 302.330 0.897 50 0 DCAARM COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])cc1C ZINC000222309298 295097057 /nfs/dbraw/zinc/09/70/57/295097057.db2.gz NVNCNGLULPQQQB-TZMCWYRMSA-N -1 0 323.345 0.992 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000269085122 298207939 /nfs/dbraw/zinc/20/79/39/298207939.db2.gz LVLDOELZYCMONB-XWIASGKRSA-N -1 0 322.365 0.261 50 0 DCAARM Cc1cc(C)n2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])c2n1 ZINC000299743004 301260006 /nfs/dbraw/zinc/26/00/06/301260006.db2.gz LKCPMVHNLOBUEV-NSHDSACASA-N -1 0 304.306 0.272 50 0 DCAARM COCc1cc(NC(=O)[C@@H](C)S(C)(=O)=O)cc(C(=O)[O-])c1 ZINC000263112575 522932966 /nfs/dbraw/zinc/93/29/66/522932966.db2.gz PYRQNBSMKRJOQP-MRVPVSSYSA-N -1 0 315.347 0.903 50 0 DCAARM C[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)[O-] ZINC000237315149 524717601 /nfs/dbraw/zinc/71/76/01/524717601.db2.gz CFUUYOHCPBNOFL-NSHDSACASA-N -1 0 315.329 0.742 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000238043469 526318681 /nfs/dbraw/zinc/31/86/81/526318681.db2.gz LPEPWQBNYKIKSP-CYBMUJFWSA-N -1 0 315.333 0.671 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299751751 526678143 /nfs/dbraw/zinc/67/81/43/526678143.db2.gz ROTYUOUZMJENHG-LLVKDONJSA-N -1 0 312.347 0.824 50 0 DCAARM CC(=O)N[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000299747492 526832887 /nfs/dbraw/zinc/83/28/87/526832887.db2.gz DEGGTRIQWJKKKZ-KBPBESRZSA-N -1 0 320.345 0.566 50 0 DCAARM Cc1nc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000041010854 545648499 /nfs/dbraw/zinc/64/84/99/545648499.db2.gz BYRDLYKXIODBNF-VIFPVBQESA-N -1 0 319.408 0.583 50 0 DCAARM C[C@H](NC(=O)c1ccc(N(C)CCO)cc1)c1nc(=O)[nH][nH]1 ZINC000215700996 545937316 /nfs/dbraw/zinc/93/73/16/545937316.db2.gz MBNIRLLTJFHWOW-VIFPVBQESA-N -1 0 305.338 0.018 50 0 DCAARM Cc1oc(CN(C)C(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000262430152 545985851 /nfs/dbraw/zinc/98/58/51/545985851.db2.gz DSWQIWWSSXYLOC-VIFPVBQESA-N -1 0 315.347 0.679 50 0 DCAARM COCC[C@H]1CN(Cc2cc(=O)n3[n-]c(C)cc3n2)CCO1 ZINC000670472295 547102005 /nfs/dbraw/zinc/10/20/05/547102005.db2.gz CWPRQDLTCFEBIF-ZDUSSCGKSA-N -1 0 306.366 0.568 50 0 DCAARM CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000584908023 600590366 /nfs/dbraw/zinc/59/03/66/600590366.db2.gz YVDJUJAGLAWPOH-LBPRGKRZSA-N -1 0 314.363 0.162 50 0 DCAARM Cc1nc(N)nc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)c1Cl ZINC001772712763 1157849624 /nfs/dbraw/zinc/84/96/24/1157849624.db2.gz PUINSAINARIHKI-OQPBUACISA-N -1 0 312.757 0.948 50 0 DCAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)[O-] ZINC000000488983 1158674112 /nfs/dbraw/zinc/67/41/12/1158674112.db2.gz NHKYSERBWAEUMK-OQPBUACISA-N -1 0 321.285 0.948 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[C@H]1O ZINC001704303948 1179966298 /nfs/dbraw/zinc/96/62/98/1179966298.db2.gz JPJPTJXJEHKHKT-WDEREUQCSA-N -1 0 321.301 0.421 50 0 DCAARM CCCn1ncc(C(=O)NCCc2nc(N)cc(=O)[nH]2)c1C ZINC000823033063 758219189 /nfs/dbraw/zinc/21/91/89/758219189.db2.gz KQEZJEBTQGZUSD-UHFFFAOYSA-N -1 0 304.354 0.652 50 0 DCAARM CC(C)O[N-]C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC000952848071 768910947 /nfs/dbraw/zinc/91/09/47/768910947.db2.gz BDULECDHOLPLMI-JSGCOSHPSA-N -1 0 324.352 0.786 50 0 DCAARM CO[C@@H](CS(=O)(=O)[N-]c1cnc(C(N)=O)s1)C(C)C ZINC000952880094 768945587 /nfs/dbraw/zinc/94/55/87/768945587.db2.gz BOAQHCLMOFURDL-ZETCQYMHSA-N -1 0 307.397 0.655 50 0 DCAARM Cn1ccc2ccc(NC(=O)CCc3n[nH]c(=O)[n-]c3=O)cc21 ZINC000095474981 185373132 /nfs/dbraw/zinc/37/31/32/185373132.db2.gz IMZOMKOCRJYWLC-UHFFFAOYSA-N -1 0 313.317 0.521 50 0 DCAARM COCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095497898 185374326 /nfs/dbraw/zinc/37/43/26/185374326.db2.gz VIOKZUYRCWCQEE-BLLLJJGKSA-N -1 0 305.330 0.797 50 0 DCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)Cc1ccc(O)c(F)c1 ZINC000095498692 185374327 /nfs/dbraw/zinc/37/43/27/185374327.db2.gz HEFMSGZIENBJFG-LBPRGKRZSA-N -1 0 319.292 0.835 50 0 DCAARM CCCn1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c(C)n1 ZINC000095526745 185378196 /nfs/dbraw/zinc/37/81/96/185378196.db2.gz YWVDJYNMWFCIDT-ZDUSSCGKSA-N -1 0 317.349 0.976 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299748814 530033292 /nfs/dbraw/zinc/03/32/92/530033292.db2.gz IHGCXBVHPRELIM-GHMZBOCLSA-N -1 0 324.358 0.205 50 0 DCAARM NC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000225587191 186280617 /nfs/dbraw/zinc/28/06/17/186280617.db2.gz GHUVTELTVUTTNA-GHMZBOCLSA-N -1 0 312.347 0.317 50 0 DCAARM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000237458356 186292386 /nfs/dbraw/zinc/29/23/86/186292386.db2.gz QMJLBAXVZNDAOS-JQWIXIFHSA-N -1 0 315.333 0.834 50 0 DCAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)CO)CC1 ZINC000072419115 191156396 /nfs/dbraw/zinc/15/63/96/191156396.db2.gz NSMITUYVHRWSFN-UHFFFAOYSA-N -1 0 303.318 0.431 50 0 DCAARM Cn1cccc1-c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]n1 ZINC000072469959 191175703 /nfs/dbraw/zinc/17/57/03/191175703.db2.gz CWJKDADCUOGARA-LBPRGKRZSA-N -1 0 304.306 0.341 50 0 DCAARM CCN(C[C@H](O)COc1ccc(C)cc1OC)S(=O)(=O)[O-] ZINC000003117443 180982931 /nfs/dbraw/zinc/98/29/31/180982931.db2.gz YUDYOOYVPWFNCP-NSHDSACASA-N -1 0 319.379 0.868 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000004831893 181158601 /nfs/dbraw/zinc/15/86/01/181158601.db2.gz NSDBTGQATAHIJG-NEPJUHHUSA-N -1 0 315.329 0.684 50 0 DCAARM CCN1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000236900536 202061462 /nfs/dbraw/zinc/06/14/62/202061462.db2.gz ZVOPNXASDGERML-KGLIPLIRSA-N -1 0 306.362 0.519 50 0 DCAARM Cc1ccn2c(c1)ncc(C(=O)N1CC[C@@H](C(=O)[O-])C1)c2=O ZINC000237861873 202372256 /nfs/dbraw/zinc/37/22/56/202372256.db2.gz ZERICVBXJXTQMF-SNVBAGLBSA-N -1 0 301.302 0.550 50 0 DCAARM Cc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])o1 ZINC000091288671 193031343 /nfs/dbraw/zinc/03/13/43/193031343.db2.gz MDICNWHRWWLNSY-SNVBAGLBSA-N -1 0 321.333 0.487 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000268950088 304139506 /nfs/dbraw/zinc/13/95/06/304139506.db2.gz PNCREGIOIQCXPY-WDEREUQCSA-N -1 0 318.329 0.639 50 0 DCAARM O=C([O-])c1ccc(-n2nnnc2S[C@H]2CCOC2=O)cc1 ZINC000019853500 182157593 /nfs/dbraw/zinc/15/75/93/182157593.db2.gz FHJUKSIKTMVVTD-VIFPVBQESA-N -1 0 306.303 0.768 50 0 DCAARM CCS(=O)(=O)N(CC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000020231575 182199484 /nfs/dbraw/zinc/19/94/84/182199484.db2.gz SZSFRMRAZQCBKP-UHFFFAOYSA-N -1 0 301.320 0.699 50 0 DCAARM O=C([O-])[C@@H](Cc1c[nH]cn1)NS(=O)(=O)c1cccs1 ZINC000021540553 182279833 /nfs/dbraw/zinc/27/98/33/182279833.db2.gz PPNNXOUWDNEFPS-MRVPVSSYSA-N -1 0 301.349 0.445 50 0 DCAARM COC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000036354813 182818517 /nfs/dbraw/zinc/81/85/17/182818517.db2.gz BWJQPDHDAGYLRO-UHFFFAOYSA-N -1 0 314.344 0.659 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000268989598 304199410 /nfs/dbraw/zinc/19/94/10/304199410.db2.gz RWRVISJWLYTXSD-CXLRFSCWSA-N -1 0 303.314 0.947 50 0 DCAARM Cc1nc(COc2ccc(C(=O)[N-]S(C)(=O)=O)cc2)no1 ZINC000040543913 183099200 /nfs/dbraw/zinc/09/92/00/183099200.db2.gz XCILOJAORIVUJI-UHFFFAOYSA-N -1 0 311.319 0.646 50 0 DCAARM Cc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000041606262 183209330 /nfs/dbraw/zinc/20/93/30/183209330.db2.gz QXGGPUZPVBWLFC-UHFFFAOYSA-N -1 0 306.347 0.587 50 0 DCAARM CCCn1nc(C(=O)N[C@]2(C(=O)[O-])CCSC2)ccc1=O ZINC000043509228 183367961 /nfs/dbraw/zinc/36/79/61/183367961.db2.gz UICCENPHFNLYHC-CYBMUJFWSA-N -1 0 311.363 0.343 50 0 DCAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000062119913 184206900 /nfs/dbraw/zinc/20/69/00/184206900.db2.gz BVGYRPGVMVOUPW-SECBINFHSA-N -1 0 313.331 0.553 50 0 DCAARM COc1cc(-c2n[nH]c(=O)n2[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC000065393436 184333999 /nfs/dbraw/zinc/33/39/99/184333999.db2.gz QWUDPSZZLROYFL-ZETCQYMHSA-N -1 0 323.305 0.910 50 0 DCAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)s1 ZINC000069145864 304237268 /nfs/dbraw/zinc/23/72/68/304237268.db2.gz RUWQBDXZZHLTFR-SSDOTTSWSA-N -1 0 303.361 0.753 50 0 DCAARM O=C([O-])c1ccc2c(c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)C2=O ZINC000037295660 304251737 /nfs/dbraw/zinc/25/17/37/304251737.db2.gz IABZZPAAVQPBGD-MRVPVSSYSA-N -1 0 309.299 0.168 50 0 DCAARM O=C(COC[C@@H]1CCCCO1)NC1(C(=O)[O-])CCOCC1 ZINC000426628949 257244961 /nfs/dbraw/zinc/24/49/61/257244961.db2.gz ZYKDOLXOJKLOAI-NSHDSACASA-N -1 0 301.339 0.322 50 0 DCAARM CC(C)[C@H](NC(=O)c1cnc2c(O)cccn2c1=O)C(=O)[O-] ZINC000426419958 257251425 /nfs/dbraw/zinc/25/14/25/257251425.db2.gz HYEMXBFTYKLELC-JTQLQIEISA-N -1 0 305.290 0.239 50 0 DCAARM CC(C)[C@@H](C(=O)NCCC(=O)[O-])n1nnc2ccccc2c1=O ZINC000002208104 395681419 /nfs/dbraw/zinc/68/14/19/395681419.db2.gz HEPFABKZBBGERM-ZDUSSCGKSA-N -1 0 318.333 0.580 50 0 DCAARM CC(=O)N[C@@H](Cc1c[nH]cn1)c1nc(C(C)C)nn1CC(=O)[O-] ZINC000097402423 395757570 /nfs/dbraw/zinc/75/75/70/395757570.db2.gz LVXDFVLKIRFWTB-NSHDSACASA-N -1 0 320.353 0.629 50 0 DCAARM Cc1nc(N)sc1-c1nc([C@@H]2CCOC2)nn1CC(=O)[O-] ZINC000097505411 395758709 /nfs/dbraw/zinc/75/87/09/395758709.db2.gz ZBAGTBSGXAMEJB-SSDOTTSWSA-N -1 0 309.351 0.881 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2 ZINC000100056123 395762531 /nfs/dbraw/zinc/76/25/31/395762531.db2.gz CKGDVBSADPGILL-WDEREUQCSA-N -1 0 301.302 0.375 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000100056113 395762609 /nfs/dbraw/zinc/76/26/09/395762609.db2.gz CGPGAUDCVLLLEW-MNOVXSKESA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100057527 395762683 /nfs/dbraw/zinc/76/26/83/395762683.db2.gz MHFNJSXACBOZDX-NEPJUHHUSA-N -1 0 315.329 0.684 50 0 DCAARM O=C([O-])CCNC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049544941 395832445 /nfs/dbraw/zinc/83/24/45/395832445.db2.gz DMVCDNMVPLVDKY-UHFFFAOYSA-N -1 0 307.331 0.563 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])oc1C ZINC000261674375 396055296 /nfs/dbraw/zinc/05/52/96/396055296.db2.gz KSQNIDWLCBLGSK-LURJTMIESA-N -1 0 305.308 0.468 50 0 DCAARM CCc1ccc(CN2CCN(C(=O)c3nc(=O)[nH][n-]3)CC2)s1 ZINC000072291939 396129843 /nfs/dbraw/zinc/12/98/43/396129843.db2.gz CHOFDMLGRIHICC-UHFFFAOYSA-N -1 0 321.406 0.680 50 0 DCAARM CN1N=C(C(=O)NCCc2cccc(C(=O)[O-])c2)CCC1=O ZINC000261929079 396080055 /nfs/dbraw/zinc/08/00/55/396080055.db2.gz JGLYRIWORZKXHW-UHFFFAOYSA-N -1 0 303.318 0.652 50 0 DCAARM CCO[C@@H]1C[C@@](NC(=O)[C@H]2COCCO2)(C(=O)[O-])C1(C)C ZINC000262765329 396179939 /nfs/dbraw/zinc/17/99/39/396179939.db2.gz GILVDIDZINPVLH-GPCCPHFNSA-N -1 0 301.339 0.176 50 0 DCAARM CC(=O)N1CCc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc21 ZINC000262933803 396192983 /nfs/dbraw/zinc/19/29/83/396192983.db2.gz GTAHPKZGXMACTG-AWEZNQCLSA-N -1 0 318.329 0.521 50 0 DCAARM Cc1cc2ncc(C(=O)NCc3cc(C4CC4)n[nH]3)c(=O)n2[n-]1 ZINC000584885665 396632504 /nfs/dbraw/zinc/63/25/04/396632504.db2.gz CWCXBLDUGVAIMQ-UHFFFAOYSA-N -1 0 312.333 0.862 50 0 DCAARM CC(C)Cc1noc(CN(C)C(=O)Cc2cc(=O)[nH][n-]c2=O)n1 ZINC000584896720 396635294 /nfs/dbraw/zinc/63/52/94/396635294.db2.gz RVAFYCBFSVTMKN-UHFFFAOYSA-N -1 0 321.337 0.670 50 0 DCAARM CC(C)Oc1ncccc1C(=O)[N-]S(=O)(=O)c1cn[nH]n1 ZINC000585135863 396641569 /nfs/dbraw/zinc/64/15/69/396641569.db2.gz GMMVNQYWAVUKGG-UHFFFAOYSA-N -1 0 311.323 0.106 50 0 DCAARM O=S(=O)([N-]CCN1CCOCC1)c1c(F)cccc1F ZINC000038429352 415195063 /nfs/dbraw/zinc/19/50/63/415195063.db2.gz MHCMYNPTMKQCMP-UHFFFAOYSA-N -1 0 306.334 0.575 50 0 DCAARM CC(C)[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000269089412 415247806 /nfs/dbraw/zinc/24/78/06/415247806.db2.gz QOYPHUNAWWLSSS-SNVBAGLBSA-N -1 0 313.354 0.322 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000071282794 415411737 /nfs/dbraw/zinc/41/17/37/415411737.db2.gz PBWBEQRKDUJXGR-NEPJUHHUSA-N -1 0 318.377 0.872 50 0 DCAARM 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IVHPJDBGRAUTEC-NSHDSACASA-N -1 0 301.364 0.587 50 0 DCAARM CC(C)n1cc(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cn1 ZINC000530142400 417541583 /nfs/dbraw/zinc/54/15/83/417541583.db2.gz CPYAKKMDOOXSEH-AOOOYVTPSA-N -1 0 301.368 0.948 50 0 DCAARM Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])c12 ZINC000659169732 418067383 /nfs/dbraw/zinc/06/73/83/418067383.db2.gz IUJQRULPKAGQLE-PWSUYJOCSA-N -1 0 318.333 0.557 50 0 DCAARM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000299749463 229393182 /nfs/dbraw/zinc/39/31/82/229393182.db2.gz KKACKXDHBVSAOA-GFCCVEGCSA-N -1 0 311.359 0.621 50 0 DCAARM CN(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C1 ZINC000095350377 288977767 /nfs/dbraw/zinc/97/77/67/288977767.db2.gz DTZOTRMURFJHPL-QWRGUYRKSA-N -1 0 313.398 0.996 50 0 DCAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000261766786 297658918 /nfs/dbraw/zinc/65/89/18/297658918.db2.gz QIGRTSHDCPRYII-GWCFXTLKSA-N -1 0 321.329 0.965 50 0 DCAARM 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/nfs/dbraw/zinc/05/91/31/202059131.db2.gz ZVOPNXASDGERML-ZIAGYGMSSA-N -1 0 306.362 0.519 50 0 DCAARM CC(=O)N[C@@H](C)C(=O)NC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000089632198 192830076 /nfs/dbraw/zinc/83/00/76/192830076.db2.gz RJJOIOJOGVQKAP-FZMZJTMJSA-N -1 0 306.362 0.879 50 0 DCAARM Cc1ccn2c(c1)ncc(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c2=O ZINC000237861919 202371653 /nfs/dbraw/zinc/37/16/53/202371653.db2.gz CYTKCGPWGUCEHZ-MRXNPFEDSA-N -1 0 315.329 0.940 50 0 DCAARM Cc1ccn2c(c1)ncc(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c2=O ZINC000237861977 202372155 /nfs/dbraw/zinc/37/21/55/202372155.db2.gz CYTKCGPWGUCEHZ-INIZCTEOSA-N -1 0 315.329 0.940 50 0 DCAARM Cc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]3C(=O)[O-])C2=O)cc1 ZINC000262453259 238174701 /nfs/dbraw/zinc/17/47/01/238174701.db2.gz WUCMYCXUTIUOCB-XQQFMLRXSA-N -1 0 302.330 0.937 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(c1nnc3ccccn31)CC2 ZINC000095357782 304098308 /nfs/dbraw/zinc/09/83/08/304098308.db2.gz SSWHMWCKDFLHMJ-JTQLQIEISA-N -1 0 315.333 0.289 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1noc(C3CC3)n1)CC2 ZINC000091462285 193059773 /nfs/dbraw/zinc/05/97/73/193059773.db2.gz ZWLXYSNBLKLPEK-JTQLQIEISA-N -1 0 320.349 0.502 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000252499107 202853293 /nfs/dbraw/zinc/85/32/93/202853293.db2.gz RVOPKJQNCMWTBK-LLVKDONJSA-N -1 0 307.302 0.660 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000013787869 304171701 /nfs/dbraw/zinc/17/17/01/304171701.db2.gz MMZUYMRACDCOMP-KLGYTOIYSA-N -1 0 301.302 0.213 50 0 DCAARM O=C([O-])[C@H]1CN(c2ncccn2)CCN1C(=O)C1CCOCC1 ZINC000071753756 304198477 /nfs/dbraw/zinc/19/84/77/304198477.db2.gz BGGUMZJQJUUKJC-GFCCVEGCSA-N -1 0 320.349 0.005 50 0 DCAARM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCOCC1 ZINC000040510304 183086149 /nfs/dbraw/zinc/08/61/49/183086149.db2.gz DLJFYSOGMSBFLO-JTQLQIEISA-N -1 0 320.361 0.964 50 0 DCAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000003882722 304211836 /nfs/dbraw/zinc/21/18/36/304211836.db2.gz SLPZEBLBIJOIBQ-QZDOHJIMSA-N -1 0 315.281 0.786 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000049550556 183740714 /nfs/dbraw/zinc/74/07/14/183740714.db2.gz CYASIKPACPKGDW-LBPRGKRZSA-N -1 0 315.329 0.720 50 0 DCAARM COc1cc([C@@H]2CNC(=O)[C@H]2C(=O)[O-])c(OC)c2c1OCO2 ZINC000066091322 184388763 /nfs/dbraw/zinc/38/87/63/184388763.db2.gz LWLGIQZIEVXYLB-CBAPKCEASA-N -1 0 309.274 0.347 50 0 DCAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000263273052 304257529 /nfs/dbraw/zinc/25/75/29/304257529.db2.gz MQFWXNHIQSEHEC-MEBBXXQBSA-N -1 0 306.318 0.848 50 0 DCAARM CCc1nc(=NC2CCN([C@@H]3CCN(C)C3=O)CC2)s[n-]1 ZINC000521398546 257234524 /nfs/dbraw/zinc/23/45/24/257234524.db2.gz NCXIUUJBDGNSOE-LLVKDONJSA-N -1 0 309.439 0.629 50 0 DCAARM COCCN1CCN(C(=O)c2cc(OC)cc(C(=O)[O-])c2)CC1 ZINC000426734215 257243731 /nfs/dbraw/zinc/24/37/31/257243731.db2.gz BDLYSVGQYULOPS-UHFFFAOYSA-N -1 0 322.361 0.798 50 0 DCAARM CC(C)CN1C[C@H](C(=O)NCCCc2nnn[n-]2)CCC1=O ZINC000426678120 257244105 /nfs/dbraw/zinc/24/41/05/257244105.db2.gz PLNXYUCPZCEYGJ-LLVKDONJSA-N -1 0 308.386 0.143 50 0 DCAARM Cc1nnnn1[C@@H](C(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000426371984 257253335 /nfs/dbraw/zinc/25/33/35/257253335.db2.gz HMYZLXOFXFJGCD-GFCCVEGCSA-N -1 0 315.333 0.694 50 0 DCAARM CS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000299742247 533440779 /nfs/dbraw/zinc/44/07/79/533440779.db2.gz AVJWRDQELZKCEY-RYUDHWBXSA-N -1 0 311.359 0.470 50 0 DCAARM COc1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]c1=O ZINC000011990949 395686943 /nfs/dbraw/zinc/68/69/43/395686943.db2.gz GBURDGKZCHFZTF-ZETCQYMHSA-N -1 0 322.346 0.586 50 0 DCAARM O=C([O-])Cn1nnnc1SCC(=O)Nc1ccccc1F ZINC000000316834 395680245 /nfs/dbraw/zinc/68/02/45/395680245.db2.gz GMOOGBOSGFLQEY-UHFFFAOYSA-N -1 0 311.298 0.628 50 0 DCAARM COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c(OC)c1 ZINC000001236577 395680720 /nfs/dbraw/zinc/68/07/20/395680720.db2.gz NDHQXIIVAUUZKN-GFCCVEGCSA-N -1 0 308.334 0.479 50 0 DCAARM CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCC(=O)[O-] ZINC000001811703 395681153 /nfs/dbraw/zinc/68/11/53/395681153.db2.gz JTQSYXYEJIQZGU-IZZDOVSWSA-N -1 0 320.301 0.483 50 0 biogenic DCAARM COCCNC(=O)CCc1nnc(-c2ccccc2)[n-]c1=O ZINC000034767665 395718243 /nfs/dbraw/zinc/71/82/43/395718243.db2.gz GWYCDQCSHBVJMX-UHFFFAOYSA-N -1 0 302.334 0.939 50 0 DCAARM O=C([O-])C[C@@H](NC(=O)CN1CSCC1=O)c1ccccc1 ZINC000036969577 395725093 /nfs/dbraw/zinc/72/50/93/395725093.db2.gz HEBHCYFLYBDODR-LLVKDONJSA-N -1 0 308.359 0.852 50 0 DCAARM Cc1nccnc1N1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000091876507 395728019 /nfs/dbraw/zinc/72/80/19/395728019.db2.gz FWVAPXQLXZYVDC-LLVKDONJSA-N -1 0 304.350 0.687 50 0 DCAARM O=C(CCc1n[nH]c(=O)[n-]c1=O)NCc1c(F)cccc1F ZINC000096230959 395751123 /nfs/dbraw/zinc/75/11/23/395751123.db2.gz ACHOKWJSFNWSBD-UHFFFAOYSA-N -1 0 310.260 0.398 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2 ZINC000100048855 395762501 /nfs/dbraw/zinc/76/25/01/395762501.db2.gz ZXMSFIQJVKQWGR-WDEREUQCSA-N -1 0 317.301 0.076 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100619450 395763219 /nfs/dbraw/zinc/76/32/19/395763219.db2.gz VMYXSAJOWAPRHM-MNOVXSKESA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3CC)c(=O)c1-2 ZINC000100998016 395763796 /nfs/dbraw/zinc/76/37/96/395763796.db2.gz LEYBITBXYNKQLF-NWDGAFQWSA-N -1 0 315.329 0.629 50 0 DCAARM COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cc1C ZINC000218968669 395843964 /nfs/dbraw/zinc/84/39/64/395843964.db2.gz NNKMTYNSAFMMOE-OCCSQVGLSA-N -1 0 323.345 0.992 50 0 DCAARM Cc1ccn(CCC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])n1 ZINC000220083479 395847700 /nfs/dbraw/zinc/84/77/00/395847700.db2.gz ZWAVDSJXECEVEO-LBPRGKRZSA-N -1 0 303.322 0.343 50 0 DCAARM O=C([O-])c1cccc(OCCNC(=O)[C@H]2CCCNC2=O)c1 ZINC000222391206 395852837 /nfs/dbraw/zinc/85/28/37/395852837.db2.gz WYDZASNMPIGDEZ-LBPRGKRZSA-N -1 0 306.318 0.406 50 0 DCAARM C[C@@H]1O[C@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O ZINC000245235241 395926640 /nfs/dbraw/zinc/92/66/40/395926640.db2.gz IOBCYGJFFBZLHE-RYIKZVKKSA-N -1 0 317.725 0.278 50 0 DCAARM Cc1nc2ncccc2cc1C(=O)N1CCN(C)[C@H](C(=O)[O-])C1 ZINC000067879409 396038065 /nfs/dbraw/zinc/03/80/65/396038065.db2.gz OIIHIFXNCHYTSC-ZDUSSCGKSA-N -1 0 314.345 0.779 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])oc1C ZINC000261735577 396060745 /nfs/dbraw/zinc/06/07/45/396060745.db2.gz SZQBPIKLYMRVIJ-SECBINFHSA-N -1 0 317.319 0.612 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC000165374303 396088560 /nfs/dbraw/zinc/08/85/60/396088560.db2.gz JALWASLCZSDUOP-NSHDSACASA-N -1 0 308.309 0.765 50 0 DCAARM COc1cccc(S(=O)(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000169785275 396092740 /nfs/dbraw/zinc/09/27/40/396092740.db2.gz MPDHDUHZBIWTAW-JTQLQIEISA-N -1 0 323.378 0.777 50 0 DCAARM Cc1cccn2cc(C(=O)N3CCC(O)(C(=O)[O-])CC3)nc12 ZINC000071422287 396113284 /nfs/dbraw/zinc/11/32/84/396113284.db2.gz OEBMMAXZWHQXHA-UHFFFAOYSA-N -1 0 303.318 0.694 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)n[n-]1 ZINC000069513154 396081232 /nfs/dbraw/zinc/08/12/32/396081232.db2.gz UGLQUNRRGYXODT-ZJUUUORDSA-N -1 0 306.347 0.950 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)CCCc1nc(C2CC2)no1 ZINC000262555189 396154288 /nfs/dbraw/zinc/15/42/88/396154288.db2.gz YBQBICIXQSLGJI-SNVBAGLBSA-N -1 0 309.322 0.582 50 0 DCAARM CCO[C@@H]1C[C@@](NC(=O)[C@@H]2COCCO2)(C(=O)[O-])C1(C)C ZINC000262765331 396180137 /nfs/dbraw/zinc/18/01/37/396180137.db2.gz GILVDIDZINPVLH-IMSIIYSGSA-N -1 0 301.339 0.176 50 0 DCAARM COc1cccc(CO[C@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262959646 396194664 /nfs/dbraw/zinc/19/46/64/396194664.db2.gz JYBPRMYVCHKBQK-RISCZKNCSA-N -1 0 323.345 0.912 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000078307599 396241994 /nfs/dbraw/zinc/24/19/94/396241994.db2.gz DCOAWIYXHYJILR-LLVKDONJSA-N -1 0 315.329 0.720 50 0 DCAARM O=c1[n-]/c(=C/c2cccc(O)c2)c(=O)[nH]/c1=C\c1cccc(O)c1 ZINC000000399862 415126404 /nfs/dbraw/zinc/12/64/04/415126404.db2.gz KKEUNBNPGVHQQB-CKOAPEAFSA-N -1 0 322.320 0.132 50 0 DCAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc2c(c1)OCO2 ZINC000007327400 415136123 /nfs/dbraw/zinc/13/61/23/415136123.db2.gz SOMIYBZKOLSJAZ-UHFFFAOYSA-N -1 0 303.274 0.294 50 0 DCAARM CC(C)C[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000071328864 415408439 /nfs/dbraw/zinc/40/84/39/415408439.db2.gz MVCOXKYLMOQRCV-CYBMUJFWSA-N -1 0 321.377 0.738 50 0 DCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1ncc(F)cn1)CC2 ZINC000072168612 415410602 /nfs/dbraw/zinc/41/06/02/415410602.db2.gz PDPVEYUOKZOEFX-LBPRGKRZSA-N -1 0 322.340 0.908 50 0 DCAARM CCn1c(=O)[nH]nc1[C@H]1CCCN(Cc2c[nH]nc2C(=O)[O-])C1 ZINC000067695654 415385273 /nfs/dbraw/zinc/38/52/73/415385273.db2.gz LRMMFVMUOXKRNI-VIFPVBQESA-N -1 0 320.353 0.392 50 0 DCAARM O=C([O-])C1=Nc2nnnn2[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000102742028 415598174 /nfs/dbraw/zinc/59/81/74/415598174.db2.gz CDDJQRHRUJTQRI-VIFPVBQESA-N -1 0 301.262 0.428 50 0 DCAARM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000263252400 416337446 /nfs/dbraw/zinc/33/74/46/416337446.db2.gz FAWLAJQJWUNYIL-CYBMUJFWSA-N -1 0 320.345 0.891 50 0 DCAARM CCNC(=O)N1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263351746 416337955 /nfs/dbraw/zinc/33/79/55/416337955.db2.gz PWGOTXZBUWVBCY-UHFFFAOYSA-N -1 0 319.361 0.801 50 0 DCAARM O=C([O-])CCN1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000238162502 416329733 /nfs/dbraw/zinc/32/97/33/416329733.db2.gz MCPBSKMKCHZLNB-UHFFFAOYSA-N -1 0 310.325 0.823 50 0 DCAARM O=C([O-])CCNC(=O)[C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000238178717 416329843 /nfs/dbraw/zinc/32/98/43/416329843.db2.gz FNCMAIUBOLUSFS-LLVKDONJSA-N -1 0 312.272 0.909 50 0 DCAARM CCc1cc(CN2CCN(c3ncccn3)C[C@H]2C(=O)[O-])[nH]n1 ZINC000244795841 416331099 /nfs/dbraw/zinc/33/10/99/416331099.db2.gz ROMPTYSZTLYZAC-ZDUSSCGKSA-N -1 0 316.365 0.538 50 0 DCAARM COCCOCCS(=O)(=O)[N-]c1cccc2n[nH]nc21 ZINC000585118963 416518420 /nfs/dbraw/zinc/51/84/20/416518420.db2.gz KNUAFSCKKQNLBD-UHFFFAOYSA-N -1 0 300.340 0.363 50 0 DCAARM Cc1cnc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)o1 ZINC000443364069 416754198 /nfs/dbraw/zinc/75/41/98/416754198.db2.gz FIYPSWIXIKGOHG-UHFFFAOYSA-N -1 0 317.348 0.431 50 0 DCAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCS1(=O)=O ZINC000577231212 417676575 /nfs/dbraw/zinc/67/65/75/417676575.db2.gz HDWHCJKMGNDFNH-MNOVXSKESA-N -1 0 319.379 0.046 50 0 DCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000653552767 418088242 /nfs/dbraw/zinc/08/82/42/418088242.db2.gz CVEUCIKSPBPJCY-VXGBXAGGSA-N -1 0 312.366 0.193 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000299745467 229385803 /nfs/dbraw/zinc/38/58/03/229385803.db2.gz ZJIVNBZCNBWQQV-NEPJUHHUSA-N -1 0 317.345 0.363 50 0 DCAARM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000299749464 229392559 /nfs/dbraw/zinc/39/25/59/229392559.db2.gz KKACKXDHBVSAOA-LBPRGKRZSA-N -1 0 311.359 0.621 50 0 DCAARM CC(=O)N1CCC2(CC1)NC(=O)N(c1ccc(C(=O)[O-])cc1)N2 ZINC000001431711 277984604 /nfs/dbraw/zinc/98/46/04/277984604.db2.gz BSSUVGHJLMUCPL-UHFFFAOYSA-N -1 0 318.333 0.758 50 0 DCAARM COc1cc(OC)c(CN2CCNC(=O)CC2)c(C(=O)[O-])c1 ZINC000097732637 295005872 /nfs/dbraw/zinc/00/58/72/295005872.db2.gz VZESDIJJLMEOGX-UHFFFAOYSA-N -1 0 308.334 0.724 50 0 DCAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])C2 ZINC000299752264 295268756 /nfs/dbraw/zinc/26/87/56/295268756.db2.gz TURRNDWDGLMIDQ-DGCLKSJQSA-N -1 0 321.329 0.558 50 0 DCAARM C[C@@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCC[C@H]1C(=O)[O-] ZINC000262818239 297911088 /nfs/dbraw/zinc/91/10/88/297911088.db2.gz PHHGZRYYLSRPBE-SMDDNHRTSA-N -1 0 317.407 0.961 50 0 DCAARM Cc1csc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000038090824 337372470 /nfs/dbraw/zinc/37/24/70/337372470.db2.gz IIFUTBAUSAGEIB-VIFPVBQESA-N -1 0 319.408 0.583 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000299743286 534523609 /nfs/dbraw/zinc/52/36/09/534523609.db2.gz MXQNSMKNJFZHEK-SECBINFHSA-N -1 0 304.281 0.953 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000299751253 534537527 /nfs/dbraw/zinc/53/75/27/534537527.db2.gz QBLOHDTUTXKZPY-CYBMUJFWSA-N -1 0 316.313 0.795 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CCO1 ZINC000299749871 534537582 /nfs/dbraw/zinc/53/75/82/534537582.db2.gz LXFVHKBTWJTDJR-GFCCVEGCSA-N -1 0 320.280 0.332 50 0 DCAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000268925324 534539907 /nfs/dbraw/zinc/53/99/07/534539907.db2.gz VJSBNOBFLKUTJU-BQBZGAKWSA-N -1 0 318.255 0.744 50 0 DCAARM CN(CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000262310462 522453318 /nfs/dbraw/zinc/45/33/18/522453318.db2.gz BKJBRJYTNRTWRN-AXFHLTTASA-N -1 0 318.395 0.122 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000248846380 526291041 /nfs/dbraw/zinc/29/10/41/526291041.db2.gz AQKCDBNEHREWCE-SOCHQFKDSA-N -1 0 324.283 0.907 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000299747970 526678421 /nfs/dbraw/zinc/67/84/21/526678421.db2.gz FPVCFRDHYZLLET-LLVKDONJSA-N -1 0 302.396 0.867 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1=O ZINC000262880227 527078509 /nfs/dbraw/zinc/07/85/09/527078509.db2.gz XQZKSHTVOJMLDO-OTYXRUKQSA-N -1 0 309.322 0.249 50 0 DCAARM CC1(C)NC(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000299745436 527785403 /nfs/dbraw/zinc/78/54/03/527785403.db2.gz ZBIQMSLJFNNZQS-NSHDSACASA-N -1 0 319.317 0.259 50 0 DCAARM O=C(N=c1nc(CC2CC2)[n-]s1)[C@@H]1CCc2nncn2C1 ZINC000585114241 546303496 /nfs/dbraw/zinc/30/34/96/546303496.db2.gz ONFACRWSRXZFHY-SECBINFHSA-N -1 0 304.379 0.705 50 0 DCAARM Cc1nn(C)cc1CN(C)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000670451143 547096114 /nfs/dbraw/zinc/09/61/14/547096114.db2.gz GHJUWXPFIPYLSI-UHFFFAOYSA-N -1 0 318.381 0.671 50 0 DCAARM Cc1ccc(C(=O)[O-])cc1CNC(=O)CN1CCCNC(=O)C1 ZINC000670452719 547096231 /nfs/dbraw/zinc/09/62/31/547096231.db2.gz WJGLMNFLXLUBRA-UHFFFAOYSA-N -1 0 319.361 0.131 50 0 DCAARM CC(C)C[C@H](CNC(=O)[C@H](C)N1CCOCC1)CC(=O)[O-] ZINC000888096904 661176037 /nfs/dbraw/zinc/17/60/37/661176037.db2.gz PMMGUXFLIDOELZ-STQMWFEESA-N -1 0 300.399 0.960 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC001704342845 1179980790 /nfs/dbraw/zinc/98/07/90/1179980790.db2.gz QXGXDVKIEHETND-QWRGUYRKSA-N -1 0 319.766 0.796 50 0 DCAARM COc1ccccc1-n1cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cn1 ZINC001704347516 1179981154 /nfs/dbraw/zinc/98/11/54/1179981154.db2.gz ODOVJLKDWNXSLM-OCCSQVGLSA-N -1 0 317.345 0.901 50 0 DCAARM CCCN1C[C@H](NC(=O)c2cc(O)cc(C(=O)[O-])c2)CC1=O ZINC000822919115 758214484 /nfs/dbraw/zinc/21/44/84/758214484.db2.gz FDARGZVOPCOUSU-LLVKDONJSA-N -1 0 306.318 0.831 50 0 DCAARM C[C@H](NC1CSCCSC1)c1n[nH]c(CC(=O)[O-])n1 ZINC001506412878 1017259673 /nfs/dbraw/zinc/25/96/73/1017259673.db2.gz FUFVRZJAJSSPGG-ZETCQYMHSA-N -1 0 302.425 0.931 50 0 DCAARM C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000090276913 185289194 /nfs/dbraw/zinc/28/91/94/185289194.db2.gz UKRAVVVAILFGIR-JTQLQIEISA-N -1 0 311.718 0.593 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc3ccccc32)CCN1 ZINC000071715345 191012790 /nfs/dbraw/zinc/01/27/90/191012790.db2.gz GYADIMYFKKMFOU-CYBMUJFWSA-N -1 0 320.370 0.887 50 0 DCAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237503620 186298611 /nfs/dbraw/zinc/29/86/11/186298611.db2.gz AYXZTUBWUPSRRN-TVQRCGJNSA-N -1 0 309.366 0.528 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)CCO1 ZINC000072424877 191159861 /nfs/dbraw/zinc/15/98/61/191159861.db2.gz LQGZHYBFNVYSHO-GFCCVEGCSA-N -1 0 305.290 0.450 50 0 DCAARM Cc1ccc(CSc2nnc(CCC(=O)[O-])c(=O)n2N)cc1 ZINC000004854819 181163808 /nfs/dbraw/zinc/16/38/08/181163808.db2.gz CSDJMPYKZXTWCS-UHFFFAOYSA-N -1 0 320.374 0.970 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000035126726 304067650 /nfs/dbraw/zinc/06/76/50/304067650.db2.gz FRWFANDODKQYSK-UHFFFAOYSA-N -1 0 320.317 0.356 50 0 DCAARM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000089960375 283424725 /nfs/dbraw/zinc/42/47/25/283424725.db2.gz HMTGCZYKEYRWFU-LLVKDONJSA-N -1 0 320.411 0.514 50 0 DCAARM O=C([O-])c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2 ZINC000238853956 202451628 /nfs/dbraw/zinc/45/16/28/202451628.db2.gz LUXBSSUTWZVIDX-JTQLQIEISA-N -1 0 300.318 0.969 50 0 DCAARM O=C([O-])[C@@]1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCSC1 ZINC000271885824 209295548 /nfs/dbraw/zinc/29/55/48/209295548.db2.gz BWGUIKFTKCUYRX-CQSZACIVSA-N -1 0 319.342 0.613 50 0 DCAARM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000194931461 201313487 /nfs/dbraw/zinc/31/34/87/201313487.db2.gz KZGWYTUAURNDOR-ZIAGYGMSSA-N -1 0 304.346 0.809 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1c1ccccc1 ZINC000091382151 193048445 /nfs/dbraw/zinc/04/84/45/193048445.db2.gz WHSLSTIAZKDLEC-UONOGXRCSA-N -1 0 314.345 0.995 50 0 DCAARM O=C([O-])[C@@]12CNC(=O)[C@@H]1CN(c1cccc(C(F)(F)F)n1)C2 ZINC000072418849 304169363 /nfs/dbraw/zinc/16/93/63/304169363.db2.gz XOUIKCRKRGQDOO-JVXZTZIISA-N -1 0 315.251 0.737 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(OC)c3)c(=O)c1-2 ZINC000018068888 182092089 /nfs/dbraw/zinc/09/20/89/182092089.db2.gz ZXMSFIQJVKQWGR-MNOVXSKESA-N -1 0 317.301 0.076 50 0 DCAARM O=C([O-])c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000019669749 182135067 /nfs/dbraw/zinc/13/50/67/182135067.db2.gz XVBZSMNBPKYVMI-SECBINFHSA-N -1 0 311.315 0.708 50 0 DCAARM COc1ccc(OC)c(N([C@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000020130934 182189847 /nfs/dbraw/zinc/18/98/47/182189847.db2.gz CPLHGEULSFFPJK-MRVPVSSYSA-N -1 0 303.336 0.943 50 0 DCAARM COc1ccc(OC)c(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000020130930 182190282 /nfs/dbraw/zinc/19/02/82/182190282.db2.gz CPLHGEULSFFPJK-QMMMGPOBSA-N -1 0 303.336 0.943 50 0 DCAARM COc1ccc(C)cc1[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000021168291 182268221 /nfs/dbraw/zinc/26/82/21/182268221.db2.gz VWSMBMNBRSQOAR-JTQLQIEISA-N -1 0 319.404 0.932 50 0 DCAARM CS(=O)(=O)[N-]C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000040544086 183099378 /nfs/dbraw/zinc/09/93/78/183099378.db2.gz PEJAOKRWHXTWJU-UHFFFAOYSA-N -1 0 309.347 0.322 50 0 DCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCN1CCOCC1 ZINC000299761348 304206299 /nfs/dbraw/zinc/20/62/99/304206299.db2.gz VLIPMPNRQCEJBM-OAHLLOKOSA-N -1 0 318.373 0.747 50 0 DCAARM COc1cccc(NC(=O)[C@H](C)Sc2n[nH]c(=O)[n-]c2=O)c1 ZINC000041606007 183209472 /nfs/dbraw/zinc/20/94/72/183209472.db2.gz JSQSHVXIKUDBNR-ZETCQYMHSA-N -1 0 322.346 0.998 50 0 DCAARM CC[C@@]1(c2cc(OC)ccc2OC)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842214 184056621 /nfs/dbraw/zinc/05/66/21/184056621.db2.gz JZERNUJBWPCCSB-HNNXBMFYSA-N -1 0 322.317 0.946 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000062873817 184258243 /nfs/dbraw/zinc/25/82/43/184258243.db2.gz CWIAOQWFLWNYHX-ZDUSSCGKSA-N -1 0 320.411 0.530 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000237950871 257238698 /nfs/dbraw/zinc/23/86/98/257238698.db2.gz HBRREUCVZRJLAH-MRVPVSSYSA-N -1 0 318.251 0.800 50 0 DCAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000426574693 257246324 /nfs/dbraw/zinc/24/63/24/257246324.db2.gz IMZAGTGQGLGDIF-VIFPVBQESA-N -1 0 304.310 0.106 50 0 DCAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCc1cn[nH]c1 ZINC000426477237 257249343 /nfs/dbraw/zinc/24/93/43/257249343.db2.gz PQFURIMIUAWAAD-ZDUSSCGKSA-N -1 0 303.318 0.860 50 0 DCAARM Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000426479125 257249370 /nfs/dbraw/zinc/24/93/70/257249370.db2.gz RYOCVMXTQBLTNJ-JTQLQIEISA-N -1 0 303.322 0.744 50 0 DCAARM Cc1n[nH]nc1C(=O)N1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426415713 257251026 /nfs/dbraw/zinc/25/10/26/257251026.db2.gz ZXBFLYAKUFYJQQ-JTQLQIEISA-N -1 0 318.337 0.414 50 0 DCAARM Cn1cnnc1CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000426358284 257253139 /nfs/dbraw/zinc/25/31/39/257253139.db2.gz IXGUGQUSFOBWDU-CYBMUJFWSA-N -1 0 314.345 0.786 50 0 DCAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NCCc2cn[nH]n2)c1 ZINC000426370276 257253509 /nfs/dbraw/zinc/25/35/09/257253509.db2.gz XBBYSSKDQCVRSU-UHFFFAOYSA-N -1 0 319.321 0.218 50 0 DCAARM COc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc(OC)c1C ZINC000299745500 533522980 /nfs/dbraw/zinc/52/29/80/533522980.db2.gz ZQPDWAIFEKXMGS-NSHDSACASA-N -1 0 309.318 0.938 50 0 DCAARM COc1ccc(CNC(=O)CN2CSCC2=O)cc1C(=O)[O-] ZINC000299747369 533583188 /nfs/dbraw/zinc/58/31/88/533583188.db2.gz CWDFOEFCOBGJAS-UHFFFAOYSA-N -1 0 324.358 0.543 50 0 DCAARM COc1cccc(OC)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299742345 533624265 /nfs/dbraw/zinc/62/42/65/533624265.db2.gz HEOSRPOLMGXSBO-CYBMUJFWSA-N -1 0 309.318 0.558 50 0 DCAARM CCN1C[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1=O ZINC000236829645 285434908 /nfs/dbraw/zinc/43/49/08/285434908.db2.gz UVTLWUWHAPBZBB-UONOGXRCSA-N -1 0 316.357 0.893 50 0 DCAARM COCCn1c(=O)[nH]c(=O)c([C@H]2OC(=O)c3ccccc32)c1[O-] ZINC000008995009 395685017 /nfs/dbraw/zinc/68/50/17/395685017.db2.gz PAQRWPBNUWPHKT-NSHDSACASA-N -1 0 318.285 0.148 50 0 DCAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnccn2)C1=O ZINC000008982234 395685052 /nfs/dbraw/zinc/68/50/52/395685052.db2.gz MJFCMEGCRSJVAR-HNNXBMFYSA-N -1 0 311.301 0.589 50 0 DCAARM CC(=O)c1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1 ZINC000012984712 395688283 /nfs/dbraw/zinc/68/82/83/395688283.db2.gz NRJVVDPPEMKVKU-UHFFFAOYSA-N -1 0 301.302 0.768 50 0 DCAARM O=C(CCn1[n-]c(=O)ccc1=O)NCCOc1ccccc1 ZINC000013987068 395688946 /nfs/dbraw/zinc/68/89/46/395688946.db2.gz MUNRAMDNHZZMNJ-UHFFFAOYSA-N -1 0 303.318 0.122 50 0 DCAARM C/C=C/Cn1c(S[C@@H](C)C(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000013739051 395688992 /nfs/dbraw/zinc/68/89/92/395688992.db2.gz GANBFBUAXVBOMI-KPJROHGDSA-N -1 0 324.362 0.565 50 0 DCAARM COc1ccc2c(c1)s/c(=N/N)n2CCCS(=O)(=O)[O-] ZINC000001572310 395680945 /nfs/dbraw/zinc/68/09/45/395680945.db2.gz PLTCOVUVRYSSPC-ACCUITESSA-N -1 0 317.392 0.764 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000002135145 395681336 /nfs/dbraw/zinc/68/13/36/395681336.db2.gz DAQRBDIBPFZXJS-ZDUSSCGKSA-N -1 0 303.318 0.622 50 0 biogenic DCAARM CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1 ZINC000002731942 395681763 /nfs/dbraw/zinc/68/17/63/395681763.db2.gz VJFZGFNBNLBZLA-SNVBAGLBSA-N -1 0 301.368 0.697 50 0 DCAARM CCn1ncc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000036611026 395723927 /nfs/dbraw/zinc/72/39/27/395723927.db2.gz VMTXQRYHOLQDEX-DTWKUNHWSA-N -1 0 308.338 0.831 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N)nc2C)C1 ZINC000091433965 395725040 /nfs/dbraw/zinc/72/50/40/395725040.db2.gz AFMABLBBYWFWQL-OAHLLOKOSA-N -1 0 322.365 0.711 50 0 DCAARM CSCc1noc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])n1 ZINC000097634979 395759178 /nfs/dbraw/zinc/75/91/78/395759178.db2.gz FQHCGCTUYAJDIV-SECBINFHSA-N -1 0 309.351 0.667 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000100048823 395762278 /nfs/dbraw/zinc/76/22/78/395762278.db2.gz UMEIVWNFSLFZMY-NEPJUHHUSA-N -1 0 315.329 0.684 50 0 DCAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=S)NC1=O ZINC000100149936 395762732 /nfs/dbraw/zinc/76/27/32/395762732.db2.gz UFKNVXBWMBITCM-UEUZTHOGSA-N -1 0 300.343 0.914 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000100775421 395763684 /nfs/dbraw/zinc/76/36/84/395763684.db2.gz WNGPSKSMZMUCIF-UWVGGRQHSA-N -1 0 321.720 0.639 50 0 DCAARM CCc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000100857534 395763866 /nfs/dbraw/zinc/76/38/66/395763866.db2.gz NCEUTQXYMUSLCC-QWRGUYRKSA-N -1 0 301.302 0.239 50 0 DCAARM Cc1cccc([C@H](NC(=O)c2cnc(C)[nH]c2=O)C(=O)[O-])c1 ZINC000219798026 395846397 /nfs/dbraw/zinc/84/63/97/395846397.db2.gz SFNBQDUGJDCLFJ-LBPRGKRZSA-N -1 0 301.302 0.942 50 0 DCAARM Cn1nnc([N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000127691726 395916009 /nfs/dbraw/zinc/91/60/09/395916009.db2.gz MMILELGVZUPHQG-UHFFFAOYSA-N -1 0 318.156 0.773 50 0 DCAARM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000135178833 395938302 /nfs/dbraw/zinc/93/83/02/395938302.db2.gz KMFFTNXHWDHDAO-JOYOIKCWSA-N -1 0 311.359 0.630 50 0 DCAARM COc1cc(N2C(=O)N[C@H](CC(=O)[O-])C2=O)cc(OC)c1OC ZINC000252509982 396022750 /nfs/dbraw/zinc/02/27/50/396022750.db2.gz YZMSNPBUDUTMEP-MRVPVSSYSA-N -1 0 324.289 0.612 50 0 DCAARM CC(C)c1cc(C2CCN(C(=O)Cc3nnn[n-]3)CC2)[nH]n1 ZINC000067756726 396033097 /nfs/dbraw/zinc/03/30/97/396033097.db2.gz GFLXMCKBVFHIFY-UHFFFAOYSA-N -1 0 303.370 0.995 50 0 DCAARM O=C(Cc1noc2ccccc12)NCCn1[n-]c(=O)ccc1=O ZINC000067954437 396040368 /nfs/dbraw/zinc/04/03/68/396040368.db2.gz CSIDDLLMAQAQKS-UHFFFAOYSA-N -1 0 314.301 0.449 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000262027928 396091283 /nfs/dbraw/zinc/09/12/83/396091283.db2.gz YKYYPDUAWBTIQL-CMPLNLGQSA-N -1 0 310.350 0.090 50 0 DCAARM COc1cncc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000262196038 396109359 /nfs/dbraw/zinc/10/93/59/396109359.db2.gz HIQCLJPAZVHIGF-NSHDSACASA-N -1 0 302.352 0.868 50 0 DCAARM CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])co1 ZINC000263243232 396208281 /nfs/dbraw/zinc/20/82/81/396208281.db2.gz COBPGKHTRCVSTD-SECBINFHSA-N -1 0 316.335 0.219 50 0 DCAARM CC(=O)Nc1ccc(F)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262854707 396187777 /nfs/dbraw/zinc/18/77/77/396187777.db2.gz HBGFKTMWVATVDZ-LBPRGKRZSA-N -1 0 310.281 0.710 50 0 DCAARM Cc1cc2ncc(C(=O)NCc3nc(C(C)C)no3)c(=O)n2[n-]1 ZINC000584896545 396635728 /nfs/dbraw/zinc/63/57/28/396635728.db2.gz TYVUMCXAZBLSAY-UHFFFAOYSA-N -1 0 316.321 0.767 50 0 DCAARM CCOCCC(=O)[N-]S(=O)(=O)c1sc(N(C)C)nc1C ZINC000585135900 396641475 /nfs/dbraw/zinc/64/14/75/396641475.db2.gz HRDDQENWGPAFRN-UHFFFAOYSA-N -1 0 321.424 0.749 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)NC(C)(C)CC(=O)[O-])oc1C ZINC000579306111 397549461 /nfs/dbraw/zinc/54/94/61/397549461.db2.gz TXKQKAWESWPBJU-UHFFFAOYSA-N -1 0 319.335 0.906 50 0 DCAARM Cc1nc(/C=C\C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cs1 ZINC000606442782 397680973 /nfs/dbraw/zinc/68/09/73/397680973.db2.gz SUWHCZCZNPOZMO-ZMWSMAPVSA-N -1 0 316.404 0.947 50 0 DCAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cn2cncn2)cn1 ZINC000607834244 397705359 /nfs/dbraw/zinc/70/53/59/397705359.db2.gz GFZVSLGMWOQBIJ-NSHDSACASA-N -1 0 301.306 0.676 50 0 DCAARM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263307288 158871570 /nfs/dbraw/zinc/87/15/70/158871570.db2.gz HKZHKYNUPKXVIN-FDYHWXHSSA-N -1 0 314.382 0.790 50 0 DCAARM CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000263558745 158887080 /nfs/dbraw/zinc/88/70/80/158887080.db2.gz AKVKSCVSOCSDCN-ZJUUUORDSA-N -1 0 324.358 0.668 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000018115653 415154648 /nfs/dbraw/zinc/15/46/48/415154648.db2.gz CGPGAUDCVLLLEW-WDEREUQCSA-N -1 0 301.302 0.294 50 0 DCAARM C[C@H](CN(C)C(=O)c1sccc1S(C)(=O)=O)C(=O)[O-] ZINC000089895822 415526210 /nfs/dbraw/zinc/52/62/10/415526210.db2.gz BSFYUENXOQCSLE-SSDOTTSWSA-N -1 0 305.377 0.944 50 0 DCAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCCn1ccnc1 ZINC000095359833 415554145 /nfs/dbraw/zinc/55/41/45/415554145.db2.gz ZLTNCQHRGIVEMS-ZDUSSCGKSA-N -1 0 303.322 0.597 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2cncs2)C[C@H]1c1cn[nH]n1 ZINC000299756825 416064427 /nfs/dbraw/zinc/06/44/27/416064427.db2.gz GGPSQJLYEBCXKY-JGVFFNPUSA-N -1 0 307.335 0.592 50 0 DCAARM O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cn[nH]n1 ZINC000244716232 416330841 /nfs/dbraw/zinc/33/08/41/416330841.db2.gz LLDCNXKQADPACP-ZOWXZIJZSA-N -1 0 314.345 0.982 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2CSc3ccccc3O2)CCO1 ZINC000583650592 416479824 /nfs/dbraw/zinc/47/98/24/416479824.db2.gz PAVPLUGFVHSFDE-GHMZBOCLSA-N -1 0 309.343 0.852 50 0 DCAARM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)C[C@@H]1CCCO1 ZINC000653496690 418083164 /nfs/dbraw/zinc/08/31/64/418083164.db2.gz DGXYHTMVGRJHHC-RYUDHWBXSA-N -1 0 314.363 0.176 50 0 DCAARM CC(C)C[C@H](CNS(=O)(=O)c1ccn(C)n1)CC(=O)[O-] ZINC000650441589 418311101 /nfs/dbraw/zinc/31/11/01/418311101.db2.gz ALFACXYPMYHRDS-JTQLQIEISA-N -1 0 303.384 0.835 50 0 DCAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000492178361 287569229 /nfs/dbraw/zinc/56/92/29/287569229.db2.gz CZNWTWKDVWAKOZ-IRBQFCFKSA-N -1 0 318.329 0.371 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000299743722 229380974 /nfs/dbraw/zinc/38/09/74/229380974.db2.gz LYSXDZQWDPLVAR-DGCLKSJQSA-N -1 0 317.345 0.506 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000299743687 229382871 /nfs/dbraw/zinc/38/28/71/229382871.db2.gz OSROLEGTVCBHJQ-HNNXBMFYSA-N -1 0 301.302 0.631 50 0 DCAARM COCCN1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1=O ZINC000170581172 262524216 /nfs/dbraw/zinc/52/42/16/262524216.db2.gz JJURPENAYORRFM-JSGCOSHPSA-N -1 0 320.345 0.423 50 0 DCAARM CC(=O)Nc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1C ZINC000532597508 272790604 /nfs/dbraw/zinc/79/06/04/272790604.db2.gz MMVUQWQSYQKLBE-ZDUSSCGKSA-N -1 0 306.318 0.879 50 0 DCAARM Cc1nc2cc(CC(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])ccc2[nH]1 ZINC000534676960 334323540 /nfs/dbraw/zinc/32/35/40/334323540.db2.gz RRVPRLFRIKYWKY-MFKMUULPSA-N -1 0 303.318 0.460 50 0 DCAARM O=C([O-])CN(C(=O)Cn1nnc2ccccc21)C1CCOCC1 ZINC000408513293 534499134 /nfs/dbraw/zinc/49/91/34/534499134.db2.gz LWEOOINZHWVGSM-UHFFFAOYSA-N -1 0 318.333 0.524 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)CCO1 ZINC000262318471 534504843 /nfs/dbraw/zinc/50/48/43/534504843.db2.gz QOHITJNOTHLVHT-LLVKDONJSA-N -1 0 307.302 0.774 50 0 DCAARM Cc1nc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1C#N ZINC000299753263 534871185 /nfs/dbraw/zinc/87/11/85/534871185.db2.gz XNNYNWKNDMIPKT-UHFFFAOYSA-N -1 0 303.318 0.968 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC000262150056 525818566 /nfs/dbraw/zinc/81/85/66/525818566.db2.gz BIOLFYSMLLMKQS-OAHLLOKOSA-N -1 0 306.318 0.488 50 0 DCAARM CC(C)(C)c1noc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])n1 ZINC000299753640 526900432 /nfs/dbraw/zinc/90/04/32/526900432.db2.gz YWENLHJPAZITFD-VIFPVBQESA-N -1 0 311.338 0.612 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1=O ZINC000262880225 527078815 /nfs/dbraw/zinc/07/88/15/527078815.db2.gz XQZKSHTVOJMLDO-LKFCYVNXSA-N -1 0 309.322 0.249 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCO1 ZINC000262042846 545977614 /nfs/dbraw/zinc/97/76/14/545977614.db2.gz DDQGFHOESMWBAT-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2Cc3ccccc3O2)C1 ZINC000262585489 545985823 /nfs/dbraw/zinc/98/58/23/545985823.db2.gz ZRAQUUBOZVLSKU-CJNGLKHVSA-N -1 0 305.330 0.940 50 0 DCAARM CC(C)Cc1cc(C(=O)N2CCC(=O)NC[C@H]2C)[nH]c(=O)n1 ZINC000221172583 563723346 /nfs/dbraw/zinc/72/33/46/563723346.db2.gz IAECVQOQMGZGOF-SNVBAGLBSA-N -1 0 306.366 0.319 50 0 DCAARM CCCc1cnc(C)nc1N1C[C@H]2C(=O)NC[C@@]2(C(=O)[O-])C1 ZINC000072456599 685074611 /nfs/dbraw/zinc/07/46/11/685074611.db2.gz KYWMHGYDIORCHL-XHDPSFHLSA-N -1 0 304.350 0.375 50 0 DCAARM Cc1cc(C)cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704327226 1179973295 /nfs/dbraw/zinc/97/32/95/1179973295.db2.gz PQRBMZRXWQXAMY-QWHCGFSZSA-N -1 0 313.375 0.760 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CC[C@@H]1O ZINC001704345090 1179980481 /nfs/dbraw/zinc/98/04/81/1179980481.db2.gz VUSIIKZNMAXCDK-WPRPVWTQSA-N -1 0 321.301 0.421 50 0 DCAARM O=c1c2cnc3nc(-c4ccccc4)nn3c2cc([O-])n1CCO ZINC000675019000 748026862 /nfs/dbraw/zinc/02/68/62/748026862.db2.gz IYVBQIXZXCKUAD-UHFFFAOYSA-N -1 0 323.312 0.804 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)CCO1 ZINC000585138152 766293858 /nfs/dbraw/zinc/29/38/58/766293858.db2.gz RUZZDKLISXCIPB-MRVPVSSYSA-N -1 0 303.311 0.933 50 0 DCAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(F)c(Br)c1 ZINC000078998473 185144095 /nfs/dbraw/zinc/14/40/95/185144095.db2.gz RKIDFUXATYTKKZ-UHFFFAOYSA-N -1 0 315.102 0.930 50 0 DCAARM CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000090622096 185307197 /nfs/dbraw/zinc/30/71/97/185307197.db2.gz ZDYBCXAVYYOIHX-MNOVXSKESA-N -1 0 318.395 0.124 50 0 DCAARM CCCC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000263050913 282580955 /nfs/dbraw/zinc/58/09/55/282580955.db2.gz WWOLDSZPMHVWDT-NEPJUHHUSA-N -1 0 312.366 0.337 50 0 DCAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237503717 186298511 /nfs/dbraw/zinc/29/85/11/186298511.db2.gz FDDCWUONZIVOFN-GXFFZTMASA-N -1 0 323.393 0.918 50 0 DCAARM Nc1n[nH]c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1-c1ccccc1 ZINC000072474175 191176872 /nfs/dbraw/zinc/17/68/72/191176872.db2.gz CVUGGNMEHQCCRT-JTQLQIEISA-N -1 0 316.317 0.585 50 0 DCAARM O=C([O-])CS(=O)(=O)CC(=O)NCc1ccccc1Cl ZINC000002561430 180935199 /nfs/dbraw/zinc/93/51/99/180935199.db2.gz ABUVYSJJCDGUFZ-UHFFFAOYSA-N -1 0 305.739 0.456 50 0 DCAARM Cc1ccnc2nc(C(=O)[N-]N3C(=O)c4ccccc4C3=O)nn21 ZINC000003430652 181018754 /nfs/dbraw/zinc/01/87/54/181018754.db2.gz ZHBIFIXZWSBPEC-UHFFFAOYSA-N -1 0 322.284 0.374 50 0 DCAARM CCN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000004742705 181145921 /nfs/dbraw/zinc/14/59/21/181145921.db2.gz BDMHEHYTUBRSAR-UHFFFAOYSA-N -1 0 311.407 0.836 50 0 DCAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000004992576 181186385 /nfs/dbraw/zinc/18/63/85/181186385.db2.gz VZPHXKVSMQQSEI-GFCCVEGCSA-N -1 0 309.347 0.692 50 0 DCAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnnn1C ZINC000005059914 181198680 /nfs/dbraw/zinc/19/86/80/181198680.db2.gz UZAUYUCVHJXBHP-UHFFFAOYSA-N -1 0 307.335 0.948 50 0 DCAARM COCc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])c1 ZINC000237226487 202197678 /nfs/dbraw/zinc/19/76/78/202197678.db2.gz DEZYSBTWZXFTBU-AWEZNQCLSA-N -1 0 306.362 0.998 50 0 DCAARM O=C([O-])CNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000299750984 304069296 /nfs/dbraw/zinc/06/92/96/304069296.db2.gz PAFDLHRZMCOCHD-UHFFFAOYSA-N -1 0 302.080 0.992 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000263296855 304078441 /nfs/dbraw/zinc/07/84/41/304078441.db2.gz MLSCKUUTYKYHMS-GFCCVEGCSA-N -1 0 316.317 0.583 50 0 DCAARM CCC[C@H](NC(=O)c1cnn2cc(CCO)cnc12)C(=O)[O-] ZINC000426652790 240353495 /nfs/dbraw/zinc/35/34/95/240353495.db2.gz BJIAFIDSOQVADB-NSHDSACASA-N -1 0 306.322 0.247 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000268883866 238252164 /nfs/dbraw/zinc/25/21/64/238252164.db2.gz AMRMHRVWAMWUAN-LLVKDONJSA-N -1 0 324.333 0.188 50 0 DCAARM O=S(=O)([N-]NC(=S)NC[C@H]1CCCO1)c1ccccc1 ZINC000006885447 181402188 /nfs/dbraw/zinc/40/21/88/181402188.db2.gz FQXNOLQSJLLKKZ-SNVBAGLBSA-N -1 0 315.420 0.523 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CCCS(N)(=O)=O)C1 ZINC000091550388 193072600 /nfs/dbraw/zinc/07/26/00/193072600.db2.gz SUJKTNDUPAOVMG-ZDUSSCGKSA-N -1 0 320.411 0.549 50 0 DCAARM Cc1ncc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[nH]1 ZINC000091650273 193084822 /nfs/dbraw/zinc/08/48/22/193084822.db2.gz JDMRRASMLOONIO-NWDGAFQWSA-N -1 0 305.334 0.190 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000092065187 193150331 /nfs/dbraw/zinc/15/03/31/193150331.db2.gz GRXLQPQRDANVCR-CYBMUJFWSA-N -1 0 320.411 0.530 50 0 DCAARM CSCC[C@H](NC(=O)CN1Cc2ccccc2C1=O)C(=O)[O-] ZINC000020732341 182245316 /nfs/dbraw/zinc/24/53/16/182245316.db2.gz ZPJLOAFUXDERFU-LBPRGKRZSA-N -1 0 322.386 0.965 50 0 DCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000021505520 182275588 /nfs/dbraw/zinc/27/55/88/182275588.db2.gz JOMKTTJHQVRIBJ-SNVBAGLBSA-N -1 0 315.347 0.851 50 0 DCAARM NC(=O)C1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000034926604 182744609 /nfs/dbraw/zinc/74/46/09/182744609.db2.gz ZEQCSOVTCGLKRT-UHFFFAOYSA-N -1 0 319.361 0.302 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000271908772 304200398 /nfs/dbraw/zinc/20/03/98/304200398.db2.gz OZIVZJNPSWMMOF-LLVKDONJSA-N -1 0 307.302 0.774 50 0 DCAARM Cc1cccc2c(=O)n(CCCC(=O)[N-]S(C)(=O)=O)cnc12 ZINC000040543904 183099250 /nfs/dbraw/zinc/09/92/50/183099250.db2.gz CXAATWMQBWEJLE-UHFFFAOYSA-N -1 0 323.374 0.561 50 0 DCAARM O=C1Nc2ccc(S(=O)(=O)[N-]n3cnnc3)c3cccc1c23 ZINC000041124567 183169027 /nfs/dbraw/zinc/16/90/27/183169027.db2.gz OORMIKGFTMIFKF-UHFFFAOYSA-N -1 0 315.314 0.929 50 0 DCAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CNC(=O)c4ccccc4NC(=O)[C@@H]13)O2 ZINC000015414381 304211951 /nfs/dbraw/zinc/21/19/51/304211951.db2.gz SCRYGNWYNGHETK-AZKPJATDSA-N -1 0 314.297 0.393 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N(CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000065454568 184347793 /nfs/dbraw/zinc/34/77/93/184347793.db2.gz WFAOCRGBGGOGSF-VIFPVBQESA-N -1 0 315.322 0.533 50 0 DCAARM Cc1ncn(C)c1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000426412630 257251816 /nfs/dbraw/zinc/25/18/16/257251816.db2.gz CCAHHWVZFONBIW-LBPRGKRZSA-N -1 0 303.318 0.860 50 0 DCAARM Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)[O-])NC(=O)CO2 ZINC000008816565 395684942 /nfs/dbraw/zinc/68/49/42/395684942.db2.gz ACLYJWFUENSYKC-UHFFFAOYSA-N -1 0 314.319 0.031 50 0 DCAARM CC1(C)NC(=O)N(CC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000013092102 395688418 /nfs/dbraw/zinc/68/84/18/395688418.db2.gz KNBNDJARJNZUMG-UHFFFAOYSA-N -1 0 319.317 0.331 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000035126645 395718977 /nfs/dbraw/zinc/71/89/77/395718977.db2.gz SGOHYMBUGONIQR-IZZDOVSWSA-N -1 0 310.375 0.689 50 0 DCAARM CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1cc(=O)[n-]o1)CC2 ZINC000091547246 395725700 /nfs/dbraw/zinc/72/57/00/395725700.db2.gz DHUVESPKYMJDTA-NEPJUHHUSA-N -1 0 310.350 0.701 50 0 DCAARM CC(C)C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000037430808 395727165 /nfs/dbraw/zinc/72/71/65/395727165.db2.gz URGHFUFHRSJKIK-WDEREUQCSA-N -1 0 320.411 0.274 50 0 DCAARM COc1cc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc(OC)c1OC ZINC000096140105 395746118 /nfs/dbraw/zinc/74/61/18/395746118.db2.gz GDICQWSCPWKKLB-UHFFFAOYSA-N -1 0 323.309 0.446 50 0 DCAARM CC[C@@H](C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000049545818 395832552 /nfs/dbraw/zinc/83/25/52/395832552.db2.gz MFIRDZWODIBWLA-BMIGLBTASA-N -1 0 321.377 0.738 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000049548742 395832641 /nfs/dbraw/zinc/83/26/41/395832641.db2.gz KMDBBNZERDRWSW-AWEZNQCLSA-N -1 0 307.350 0.348 50 0 DCAARM O=C(N[C@@H]1CCOC[C@H]1OCCO)c1ccc([O-])c(Cl)c1 ZINC000223899013 395857568 /nfs/dbraw/zinc/85/75/68/395857568.db2.gz DQKAWBCZFKGMHA-DGCLKSJQSA-N -1 0 315.753 0.942 50 0 DCAARM O=C([O-])[C@H]1CCCN1CC(=O)NCCOc1cccc(F)c1 ZINC000238092639 395921531 /nfs/dbraw/zinc/92/15/31/395921531.db2.gz SCYDWHNQYUHDLK-CYBMUJFWSA-N -1 0 310.325 0.870 50 0 DCAARM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1ncccc1[O-] ZINC000058231251 395951927 /nfs/dbraw/zinc/95/19/27/395951927.db2.gz IDTOKOMARJULBD-UHFFFAOYSA-N -1 0 312.329 0.976 50 0 DCAARM O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]o1 ZINC000252536126 396022651 /nfs/dbraw/zinc/02/26/51/396022651.db2.gz HQAINFDFWRYDEY-ADEWGFFLSA-N -1 0 303.318 0.887 50 0 DCAARM C[C@@H]1CN(C(=O)[C@@H](NC(=O)C(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000252571079 396023464 /nfs/dbraw/zinc/02/34/64/396023464.db2.gz XQHPCVVRIXJSNU-LOWVWBTDSA-N -1 0 320.345 0.564 50 0 DCAARM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)S(C)(=O)=O ZINC000252708549 396024415 /nfs/dbraw/zinc/02/44/15/396024415.db2.gz AJQGRDHTFJBFFY-ZNSHCXBVSA-N -1 0 303.380 0.664 50 0 DCAARM COc1ccc(CN2CC[N@H+](C)[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC000067894153 396037691 /nfs/dbraw/zinc/03/76/91/396037691.db2.gz LUZHAVGDVRUAAA-GFCCVEGCSA-N -1 0 308.334 0.594 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CCO1 ZINC000261983717 396086511 /nfs/dbraw/zinc/08/65/11/396086511.db2.gz RRMBFOGHYMRRDD-GFCCVEGCSA-N -1 0 302.286 0.866 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)c1ncoc1-c1ccco1 ZINC000170626955 396096449 /nfs/dbraw/zinc/09/64/49/396096449.db2.gz GQOZNZWJULUCAU-UHFFFAOYSA-N -1 0 300.292 0.641 50 0 DCAARM CCOC(=O)N=c1[n-]nc(SCCC(=O)NC(N)=O)s1 ZINC000070039558 396099301 /nfs/dbraw/zinc/09/93/01/396099301.db2.gz KWMIYDNLHJOATL-UHFFFAOYSA-N -1 0 319.368 0.784 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)COCCOc2ccccc2)CCO1 ZINC000262406030 396136876 /nfs/dbraw/zinc/13/68/76/396136876.db2.gz BCPBACTYQOECTE-CQSZACIVSA-N -1 0 323.345 0.784 50 0 DCAARM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000263239739 396208314 /nfs/dbraw/zinc/20/83/14/396208314.db2.gz FTTLFKCPCMNGIE-SNVBAGLBSA-N -1 0 320.411 0.274 50 0 DCAARM C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262541339 396152958 /nfs/dbraw/zinc/15/29/58/396152958.db2.gz RKMXXMAHEQOYJO-VXGBXAGGSA-N -1 0 311.382 0.751 50 0 DCAARM O=C([O-])Cn1cc(CNC(=O)c2ccnn2C2CCCC2)nn1 ZINC000262694751 396173527 /nfs/dbraw/zinc/17/35/27/396173527.db2.gz DHNDFJCBZCOJMC-UHFFFAOYSA-N -1 0 318.337 0.604 50 0 DCAARM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1ccncc1[O-] ZINC000075108452 396176056 /nfs/dbraw/zinc/17/60/56/396176056.db2.gz RZXAAULHKMYAGN-UHFFFAOYSA-N -1 0 312.329 0.976 50 0 DCAARM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000075584542 396182027 /nfs/dbraw/zinc/18/20/27/396182027.db2.gz ZSMGXAIFQUVPLR-CQSZACIVSA-N -1 0 324.402 0.975 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCO1 ZINC000262917888 396192043 /nfs/dbraw/zinc/19/20/43/396192043.db2.gz UOSVVZKWQMEKFK-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262971145 396195714 /nfs/dbraw/zinc/19/57/14/396195714.db2.gz RUWCKVUAGYRPGM-DCAQKATOSA-N -1 0 318.395 0.028 50 0 DCAARM C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)NC1=O ZINC000262974338 396195727 /nfs/dbraw/zinc/19/57/27/396195727.db2.gz MDJHDMSMHVXBNU-GZMMTYOYSA-N -1 0 320.301 0.332 50 0 DCAARM COCCOc1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000263043364 396199238 /nfs/dbraw/zinc/19/92/38/396199238.db2.gz VYUWRYWQCRHEFU-ZDUSSCGKSA-N -1 0 309.318 0.637 50 0 DCAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000091737685 292379377 /nfs/dbraw/zinc/37/93/77/292379377.db2.gz CNDQJRNCCSMROO-HNNXBMFYSA-N -1 0 323.349 0.916 50 0 DCAARM COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000004207208 292520861 /nfs/dbraw/zinc/52/08/61/292520861.db2.gz ARJDRISVIVWBQI-HNNXBMFYSA-N -1 0 304.302 0.697 50 0 DCAARM CNc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(NC)n1 ZINC000000023472 415124214 /nfs/dbraw/zinc/12/42/14/415124214.db2.gz JELFWSXQTXRMAJ-UHFFFAOYSA-N -1 0 308.367 0.943 50 0 in-vivo DCAARM O=S(=O)([N-]NC(=S)NC[C@@H]1CCCO1)c1ccccc1 ZINC000006885446 415134705 /nfs/dbraw/zinc/13/47/05/415134705.db2.gz FQXNOLQSJLLKKZ-JTQLQIEISA-N -1 0 315.420 0.523 50 0 DCAARM Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000331690113 415187772 /nfs/dbraw/zinc/18/77/72/415187772.db2.gz WWSLNQDEWIKSCJ-UHFFFAOYSA-N -1 0 301.310 0.408 50 0 DCAARM CC1(C)CC(=O)C(=C([O-])Cn2nc3ccccn3c2=O)C(=O)C1 ZINC000102448980 415599760 /nfs/dbraw/zinc/59/97/60/415599760.db2.gz UTGCFKNPVVLOHN-UHFFFAOYSA-N -1 0 315.329 0.640 50 0 DCAARM Cc1nc(CCNC(=O)c2cc(=O)[n-]o2)nc2c1CCCC2 ZINC000215103277 416326978 /nfs/dbraw/zinc/32/69/78/416326978.db2.gz AYWZBYSMOXHCOS-UHFFFAOYSA-N -1 0 302.334 0.918 50 0 DCAARM Cn1ncc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1-n1cccc1 ZINC000237828019 416328898 /nfs/dbraw/zinc/32/88/98/416328898.db2.gz QZPVIPQDGREFRR-NSHDSACASA-N -1 0 304.306 0.136 50 0 DCAARM Cc1cccc(C[C@@H](CNC(=O)[C@H]2COCCO2)C(=O)[O-])c1 ZINC000299751778 229394875 /nfs/dbraw/zinc/39/48/75/229394875.db2.gz RRJFCBTWBSUWAJ-UONOGXRCSA-N -1 0 307.346 0.770 50 0 DCAARM CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)[nH]c1=O ZINC000000488973 278060908 /nfs/dbraw/zinc/06/09/08/278060908.db2.gz RLKBEJZZQHRXGR-LBPRGKRZSA-N -1 0 301.302 0.263 50 0 biogenic DCAARM CN1C(=O)C[C@@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000378169578 289818970 /nfs/dbraw/zinc/81/89/70/289818970.db2.gz SOOLUSUMEJUZGD-YPMHNXCESA-N -1 0 318.329 0.449 50 0 DCAARM CCO[C@H]1COC[C@@H]1NC(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000534662598 334322524 /nfs/dbraw/zinc/32/25/24/334322524.db2.gz QYOLPEABMGASDJ-STQMWFEESA-N -1 0 309.318 0.927 50 0 DCAARM NC(=O)Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000299750518 534368218 /nfs/dbraw/zinc/36/82/18/534368218.db2.gz NQJZAAJZBFRLLA-GFCCVEGCSA-N -1 0 306.318 0.169 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCCO3)CCO1 ZINC000299745802 534524344 /nfs/dbraw/zinc/52/43/44/534524344.db2.gz SNJISGBENOEBNL-AWEZNQCLSA-N -1 0 321.329 0.702 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-n2cncn2)c1 ZINC000299753136 534525794 /nfs/dbraw/zinc/52/57/94/534525794.db2.gz WYZBSNHZBHPAOA-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000299747621 534526140 /nfs/dbraw/zinc/52/61/40/534526140.db2.gz DKWFNQMUBMTWMG-ZDUSSCGKSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000238087421 526325552 /nfs/dbraw/zinc/32/55/52/526325552.db2.gz YIHDXBFALUJUOF-NSHDSACASA-N -1 0 301.306 0.138 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1=O ZINC000262140713 545979616 /nfs/dbraw/zinc/97/96/16/545979616.db2.gz AFSKQGSVLBBNTH-SECBINFHSA-N -1 0 309.322 0.203 50 0 DCAARM O=C(NCc1noc(-c2cccs2)n1)c1cncc(=O)[nH]1 ZINC000670465599 547098694 /nfs/dbraw/zinc/09/86/94/547098694.db2.gz QSIAYWLWWZHSNS-UHFFFAOYSA-N -1 0 303.303 0.811 50 0 DCAARM CC[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)O1 ZINC000585085760 766273559 /nfs/dbraw/zinc/27/35/59/766273559.db2.gz RLLDIJNHTYGFLA-GXSJLCMTSA-N -1 0 314.363 0.936 50 0 DCAARM COCCn1ccc([N-]S(=O)(=O)c2n[nH]c3ncccc32)n1 ZINC000952881691 768947952 /nfs/dbraw/zinc/94/79/52/768947952.db2.gz CKURMSGEJMATGT-UHFFFAOYSA-N -1 0 322.350 0.602 50 0 DCAARM CCCOc1ccc([C@H](C)NC(=O)Cn2[n-]nnc2=N)cc1 ZINC001506418189 1017263304 /nfs/dbraw/zinc/26/33/04/1017263304.db2.gz OFHGAVTUZIPMKV-JTQLQIEISA-N -1 0 304.354 0.752 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Br)cn1 ZINC000088374477 185247602 /nfs/dbraw/zinc/24/76/02/185247602.db2.gz PLXSKTHRVMYACY-SECBINFHSA-N -1 0 315.123 0.770 50 0 DCAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000268967702 295799730 /nfs/dbraw/zinc/79/97/30/295799730.db2.gz DOWCDYIFJPOCMZ-AAEUAGOBSA-N -1 0 304.346 0.967 50 0 DCAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2cncn2)c1 ZINC000072148255 191053993 /nfs/dbraw/zinc/05/39/93/191053993.db2.gz FIZNFLWNHOZCNH-UHFFFAOYSA-N -1 0 310.335 0.652 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1nc2ccccc2[nH]c1=O ZINC000072409235 191153781 /nfs/dbraw/zinc/15/37/81/191153781.db2.gz GXNMIRGTMOJHFZ-SECBINFHSA-N -1 0 317.301 0.239 50 0 DCAARM O=C([O-])C1(NC(=O)C2CCS(=O)(=O)CC2)CCCCC1 ZINC000262211534 304030934 /nfs/dbraw/zinc/03/09/34/304030934.db2.gz VZNSKTCCNYVKJQ-UHFFFAOYSA-N -1 0 303.380 0.715 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000174249322 198309823 /nfs/dbraw/zinc/30/98/23/198309823.db2.gz KTOQJDUMTPKLHU-HIFRSBDPSA-N -1 0 309.387 0.983 50 0 DCAARM Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c(C)c1 ZINC000002638912 180942834 /nfs/dbraw/zinc/94/28/34/180942834.db2.gz XRCFYLHXXLSTTD-JTQLQIEISA-N -1 0 314.363 0.300 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000238070761 202435284 /nfs/dbraw/zinc/43/52/84/202435284.db2.gz AEIONTYTHMCJRU-LBPRGKRZSA-N -1 0 315.333 0.528 50 0 DCAARM COc1ccc(O)c(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000006084154 181311280 /nfs/dbraw/zinc/31/12/80/181311280.db2.gz QCXNBEHCMJBNAJ-UHFFFAOYSA-N -1 0 313.269 0.557 50 0 DCAARM NC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000006096398 181312410 /nfs/dbraw/zinc/31/24/10/181312410.db2.gz FCRRSTCOJQAZEG-NSHDSACASA-N -1 0 309.322 0.815 50 0 DCAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1-n1cncn1 ZINC000268973307 238253864 /nfs/dbraw/zinc/25/38/64/238253864.db2.gz IGILBSCHPULHSY-ZDUSSCGKSA-N -1 0 316.317 0.501 50 0 DCAARM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)NC(=O)CO3)CCSC1 ZINC000271899194 209308710 /nfs/dbraw/zinc/30/87/10/209308710.db2.gz XTLONEKEPRDXLM-CQSZACIVSA-N -1 0 322.342 0.708 50 0 DCAARM O=C([O-])[C@]1(NC(=O)c2n[nH]c(=O)c3ccccc32)CCSC1 ZINC000271885823 209296681 /nfs/dbraw/zinc/29/66/81/209296681.db2.gz BWGUIKFTKCUYRX-AWEZNQCLSA-N -1 0 319.342 0.613 50 0 DCAARM O=C([O-])C1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000006662566 181367338 /nfs/dbraw/zinc/36/73/38/181367338.db2.gz NDJJKOYQZBKCPW-UHFFFAOYSA-N -1 0 316.317 0.115 50 0 DCAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000091645780 193084718 /nfs/dbraw/zinc/08/47/18/193084718.db2.gz SATJQEIRILKVOU-OAHLLOKOSA-N -1 0 323.349 0.181 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1CSCC1=O ZINC000221720755 304146862 /nfs/dbraw/zinc/14/68/62/304146862.db2.gz ORHDNQHWUOYFCX-VWYCJHECSA-N -1 0 312.391 0.764 50 0 DCAARM CCCn1ncc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c1C ZINC000096151915 284132911 /nfs/dbraw/zinc/13/29/11/284132911.db2.gz BPPJQOIAFUMEHM-CYBMUJFWSA-N -1 0 317.349 0.976 50 0 DCAARM O=C([O-])c1cn2nc(NCCCN3CCCC3=O)ccc2n1 ZINC000096318811 193613694 /nfs/dbraw/zinc/61/36/94/193613694.db2.gz KOYWFVVHWBVJLD-UHFFFAOYSA-N -1 0 303.322 0.852 50 0 DCAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cnccn2)C1=O ZINC000008982239 181594376 /nfs/dbraw/zinc/59/43/76/181594376.db2.gz MJFCMEGCRSJVAR-OAHLLOKOSA-N -1 0 311.301 0.589 50 0 DCAARM CC(=O)c1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)cc1 ZINC000017055163 182072634 /nfs/dbraw/zinc/07/26/34/182072634.db2.gz ISLSFFORWJLRLB-UHFFFAOYSA-N -1 0 320.345 0.639 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000376784666 304199421 /nfs/dbraw/zinc/19/94/21/304199421.db2.gz NKUHNWLVKYNIHS-LLVKDONJSA-N -1 0 319.379 0.046 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000268991209 304200493 /nfs/dbraw/zinc/20/04/93/304200493.db2.gz SXWMDNKFFCWULZ-GFCCVEGCSA-N -1 0 304.302 0.497 50 0 DCAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1nccs1 ZINC000104852164 194046550 /nfs/dbraw/zinc/04/65/50/194046550.db2.gz YJZNGPNKMVTYEK-UHFFFAOYSA-N -1 0 317.374 0.955 50 0 DCAARM Cc1noc(-c2ccc(N3CCN(C)[C@@H](C(=O)[O-])C3)nc2)n1 ZINC000106704646 194244691 /nfs/dbraw/zinc/24/46/91/194244691.db2.gz QROGMEXVNDFZLS-LLVKDONJSA-N -1 0 303.322 0.645 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000062118608 184206773 /nfs/dbraw/zinc/20/67/73/184206773.db2.gz FUZLQUVRCWGHOI-YUMQZZPRSA-N -1 0 308.256 0.330 50 0 DCAARM C[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000067640864 184475928 /nfs/dbraw/zinc/47/59/28/184475928.db2.gz FBSBVBAOIMIDKZ-SECBINFHSA-N -1 0 319.292 0.639 50 0 DCAARM O=C([O-])c1ccc2c(c1)C(=O)N([C@H]1CCS(=O)(=O)C1)C2=O ZINC000037295662 304251799 /nfs/dbraw/zinc/25/17/99/304251799.db2.gz IABZZPAAVQPBGD-QMMMGPOBSA-N -1 0 309.299 0.168 50 0 DCAARM CCC[C@@H](NC(=O)c1cc2ncc(CCO)cn2n1)C(=O)[O-] ZINC000426533788 257247956 /nfs/dbraw/zinc/24/79/56/257247956.db2.gz LOTOJWJGCRDWIJ-SNVBAGLBSA-N -1 0 306.322 0.247 50 0 DCAARM Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000010491830 395686056 /nfs/dbraw/zinc/68/60/56/395686056.db2.gz JSTPMWILRCNWCU-UHFFFAOYSA-N -1 0 320.330 0.781 50 0 DCAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]C[C@@H]3CCCO3)nc2n1 ZINC000015107995 395689820 /nfs/dbraw/zinc/68/98/20/395689820.db2.gz PLYSOFVUSXQBKT-JTQLQIEISA-N -1 0 311.367 0.198 50 0 DCAARM CCOC(=O)Cc1csc(NC(=O)COCC(=O)[O-])n1 ZINC000000070241 395679681 /nfs/dbraw/zinc/67/96/81/395679681.db2.gz DCYBSRZJHRPGTP-UHFFFAOYSA-N -1 0 302.308 0.288 50 0 DCAARM CC(C)[C@H](NC(=O)CN1C(=O)C(Cl)=C(Cl)C1=O)C(=O)[O-] ZINC000002099859 395681322 /nfs/dbraw/zinc/68/13/22/395681322.db2.gz LUQZCYXSMIAMOF-QMMMGPOBSA-N -1 0 323.132 0.270 50 0 biogenic DCAARM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000006948307 395683143 /nfs/dbraw/zinc/68/31/43/395683143.db2.gz CJYNCJMQAGDWKJ-JTQLQIEISA-N -1 0 301.368 0.522 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000032848306 395714316 /nfs/dbraw/zinc/71/43/16/395714316.db2.gz HZXDVRSWULLKBR-HNNXBMFYSA-N -1 0 321.333 0.530 50 0 DCAARM CCC[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000036836903 395724865 /nfs/dbraw/zinc/72/48/65/395724865.db2.gz UQMHCVVEGHPLDX-YUMQZZPRSA-N -1 0 310.272 0.767 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000037419994 395727170 /nfs/dbraw/zinc/72/71/70/395727170.db2.gz VHNACGRRFBFEOA-NSHDSACASA-N -1 0 312.347 0.332 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000096511668 395754345 /nfs/dbraw/zinc/75/43/45/395754345.db2.gz HVLKEBVGJKJFSE-JTQLQIEISA-N -1 0 301.302 0.631 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100619455 395763171 /nfs/dbraw/zinc/76/31/71/395763171.db2.gz VMYXSAJOWAPRHM-WDEREUQCSA-N -1 0 301.302 0.294 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100660503 395763719 /nfs/dbraw/zinc/76/37/19/395763719.db2.gz XAEHOUHENKOUJJ-IUCAKERBSA-N -1 0 307.693 0.330 50 0 DCAARM C[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1n[nH]c(=O)[n-]1 ZINC000055166798 395913108 /nfs/dbraw/zinc/91/31/08/395913108.db2.gz LIYFTBYZPIBWOV-MRVPVSSYSA-N -1 0 321.312 0.234 50 0 DCAARM C[C@@H](C(=O)[O-])N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000226087174 395864968 /nfs/dbraw/zinc/86/49/68/395864968.db2.gz FBUORZSDBYQLDS-QMMMGPOBSA-N -1 0 301.320 0.697 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 ZINC000136122847 395944625 /nfs/dbraw/zinc/94/46/25/395944625.db2.gz QGHBVVQTTPEPNU-JTQLQIEISA-N -1 0 303.318 0.653 50 0 DCAARM CCCc1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)[nH]n1 ZINC000157873002 396064485 /nfs/dbraw/zinc/06/44/85/396064485.db2.gz QPUJRWLCESWXAT-SECBINFHSA-N -1 0 301.368 0.458 50 0 DCAARM O=C(NCc1nnc2ccccn21)c1n[n-]c2ccccc2c1=O ZINC000069738673 396088774 /nfs/dbraw/zinc/08/87/74/396088774.db2.gz WZZYKHLXUQIHRV-UHFFFAOYSA-N -1 0 320.312 0.896 50 0 DCAARM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262915306 396191317 /nfs/dbraw/zinc/19/13/17/396191317.db2.gz UADWMAXTFOALIV-SECBINFHSA-N -1 0 323.349 0.714 50 0 DCAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262913287 396191506 /nfs/dbraw/zinc/19/15/06/396191506.db2.gz CZOYLPDGFGYWJN-NSHDSACASA-N -1 0 318.333 0.580 50 0 DCAARM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 ZINC000263287823 396212104 /nfs/dbraw/zinc/21/21/04/396212104.db2.gz YGNOZKWULSTJEH-FRRDWIJNSA-N -1 0 320.393 0.985 50 0 DCAARM COc1cccc(CO[C@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262959636 396195007 /nfs/dbraw/zinc/19/50/07/396195007.db2.gz JYBPRMYVCHKBQK-BXUZGUMPSA-N -1 0 323.345 0.912 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492114261 397512347 /nfs/dbraw/zinc/51/23/47/397512347.db2.gz AQHKWXPGOGFUQB-QQHVMHFCSA-N -1 0 319.313 0.783 50 0 DCAARM CN1CC[C@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000172359467 158394064 /nfs/dbraw/zinc/39/40/64/158394064.db2.gz SAJCAORLAIGOCD-ZDUSSCGKSA-N -1 0 304.346 0.912 50 0 DCAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000262809703 158843012 /nfs/dbraw/zinc/84/30/12/158843012.db2.gz QDKHQKSCFNMBSI-CQSZACIVSA-N -1 0 304.281 0.906 50 0 DCAARM CN(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000263511582 158884218 /nfs/dbraw/zinc/88/42/18/158884218.db2.gz XZGHIAPFZCQOER-LLVKDONJSA-N -1 0 313.379 0.775 50 0 DCAARM COC[C@](C)(NC(=O)c1ccc(-n2cnnc2)cc1)C(=O)[O-] ZINC000262058666 287127823 /nfs/dbraw/zinc/12/78/23/287127823.db2.gz GQLRHTWNIXBXIY-AWEZNQCLSA-N -1 0 304.306 0.487 50 0 DCAARM CN(C)S(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000000106659 415124506 /nfs/dbraw/zinc/12/45/06/415124506.db2.gz PBFGMKHJOQPXCP-UHFFFAOYSA-N -1 0 312.391 0.911 50 0 DCAARM C[C@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC000269174653 415248285 /nfs/dbraw/zinc/24/82/85/415248285.db2.gz JAOXJDALUZVXST-MNOVXSKESA-N -1 0 318.329 0.734 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000269002578 415248816 /nfs/dbraw/zinc/24/88/16/415248816.db2.gz ZQXVLVGELFRBKX-CYBMUJFWSA-N -1 0 318.329 0.739 50 0 DCAARM CC[C@H](C)[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000095949216 415563780 /nfs/dbraw/zinc/56/37/80/415563780.db2.gz CPWBMHNICCVBMT-CMPLNLGQSA-N -1 0 313.398 0.996 50 0 DCAARM COc1cc(OC)c(CN2CCOC[C@@H]2CO)c(C(=O)[O-])c1 ZINC000097155793 415588212 /nfs/dbraw/zinc/58/82/12/415588212.db2.gz NFJBNOAHOUXJKH-JTQLQIEISA-N -1 0 311.334 0.595 50 0 DCAARM Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000102708326 415599609 /nfs/dbraw/zinc/59/96/09/415599609.db2.gz XLTOMTLYTBZGGC-UHFFFAOYSA-N -1 0 323.378 0.498 50 0 DCAARM C[C@@H](CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1)c1nnn[n-]1 ZINC000124579260 415853272 /nfs/dbraw/zinc/85/32/72/415853272.db2.gz GHXBRNYUWTXQJI-GZMMTYOYSA-N -1 0 305.313 0.904 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1=O ZINC000262446124 416336781 /nfs/dbraw/zinc/33/67/81/416336781.db2.gz UEYZBMRUSKITOL-LSJOCFKGSA-N -1 0 321.333 0.344 50 0 DCAARM CCN1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1=O ZINC000236829675 416328386 /nfs/dbraw/zinc/32/83/86/416328386.db2.gz UVTLWUWHAPBZBB-KBPBESRZSA-N -1 0 316.357 0.893 50 0 DCAARM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]O[C@H]1CCCCO1 ZINC000241287458 416329962 /nfs/dbraw/zinc/32/99/62/416329962.db2.gz LLKMIGZKFYRLSD-WZRBSPASSA-N -1 0 310.350 0.736 50 0 DCAARM COCc1nnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)s1 ZINC000244633737 416330719 /nfs/dbraw/zinc/33/07/19/416330719.db2.gz GIUQYOXJBDQOJP-QMMMGPOBSA-N -1 0 314.367 0.420 50 0 DCAARM O=c1[n-]c([C@@H]2CCCCN2S(=O)(=O)N2CCCCC2)n[nH]1 ZINC000585114667 416519030 /nfs/dbraw/zinc/51/90/30/416519030.db2.gz QKKFKQFXTABTFP-JTQLQIEISA-N -1 0 315.399 0.768 50 0 DCAARM COc1nc(CNS(=O)(=O)c2ccccc2)nc(OC)n1 ZINC000575605492 417540014 /nfs/dbraw/zinc/54/00/14/417540014.db2.gz BHGSPOWYQCBCFV-UHFFFAOYSA-N -1 0 310.335 0.367 50 0 DCAARM CC1(C)OC[C@@H]2C[C@@]21NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000530153320 417545785 /nfs/dbraw/zinc/54/57/85/417545785.db2.gz NZNYICISRGTEGJ-UPONEAKYSA-N -1 0 318.376 0.687 50 0 DCAARM Cc1ncc2n1C[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CC2 ZINC000630136243 417811668 /nfs/dbraw/zinc/81/16/68/417811668.db2.gz XYLUVWWTSMVPTO-SNVBAGLBSA-N -1 0 303.322 0.674 50 0 DCAARM Cn1nnc2ccc(C(=O)NC3(CC(=O)[O-])CCOCC3)cc21 ZINC000663122459 417992717 /nfs/dbraw/zinc/99/27/17/417992717.db2.gz JEKPRRLPFCBTTP-UHFFFAOYSA-N -1 0 318.333 0.722 50 0 DCAARM COC[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C1CCOCC1 ZINC000659192554 418069651 /nfs/dbraw/zinc/06/96/51/418069651.db2.gz MWOGXAJDYYDLKQ-CYBMUJFWSA-N -1 0 308.334 0.951 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000299743723 229381069 /nfs/dbraw/zinc/38/10/69/229381069.db2.gz LYSXDZQWDPLVAR-WCQYABFASA-N -1 0 317.345 0.506 50 0 DCAARM Cn1nc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2c1=O ZINC000299744260 229384281 /nfs/dbraw/zinc/38/42/81/229384281.db2.gz RMTSUXWSVPPPKG-SNVBAGLBSA-N -1 0 315.329 0.409 50 0 DCAARM CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)[O-])cc1 ZINC000020199460 278370449 /nfs/dbraw/zinc/37/04/49/278370449.db2.gz AWCYXFHORIVTAO-UHFFFAOYSA-N -1 0 300.336 0.787 50 0 DCAARM COc1ccc([C@H]2[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC(=O)N2C)cc1 ZINC000299740083 295252015 /nfs/dbraw/zinc/25/20/15/295252015.db2.gz VNIWIJPDBCZFQP-WFBYXXMGSA-N -1 0 320.345 0.804 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000269085117 298209516 /nfs/dbraw/zinc/20/95/16/298209516.db2.gz LVLDOELZYCMONB-CDMKHQONSA-N -1 0 322.365 0.261 50 0 DCAARM C[C@@H]1C(=O)N(CC(=O)[O-])CCN1Cc1cc(C(C)(C)C)n[nH]1 ZINC000534588886 334293123 /nfs/dbraw/zinc/29/31/23/334293123.db2.gz FHBLRARFNKYPRH-SNVBAGLBSA-N -1 0 308.382 0.825 50 0 DCAARM C[C@H]1C(=O)N(CC(=O)[O-])CCN1Cc1cc(C(C)(C)C)n[nH]1 ZINC000534588877 334293224 /nfs/dbraw/zinc/29/32/24/334293224.db2.gz FHBLRARFNKYPRH-JTQLQIEISA-N -1 0 308.382 0.825 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000299748610 534525493 /nfs/dbraw/zinc/52/54/93/534525493.db2.gz HRFYZGSXBZEGML-ZDUSSCGKSA-N -1 0 316.313 0.795 50 0 DCAARM CC(=O)N[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CCCC1 ZINC000262441696 526817061 /nfs/dbraw/zinc/81/70/61/526817061.db2.gz NPUMKGTYQWMIGK-GXTWGEPZSA-N -1 0 312.366 0.383 50 0 DCAARM CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc(=O)[nH][n-]2)cn1 ZINC000685942734 548747729 /nfs/dbraw/zinc/74/77/29/548747729.db2.gz UVOLHILTVHWZOV-CMPLNLGQSA-N -1 0 305.338 0.195 50 0 DCAARM CN1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)C[C@@H]21 ZINC000888097588 661176854 /nfs/dbraw/zinc/17/68/54/661176854.db2.gz KMZHJFUQWCOCRE-SJPZSHDVSA-N -1 0 316.357 0.939 50 0 DCAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000262442649 662390792 /nfs/dbraw/zinc/39/07/92/662390792.db2.gz UUWWTFIQZZBOAK-BONVTDFDSA-N -1 0 314.382 0.223 50 0 DCAARM CC(C)[C@]1(C)NC(c2ncc(C(=O)NC3CC3)cc2[O-])=NC1=O ZINC000585121627 766286595 /nfs/dbraw/zinc/28/65/95/766286595.db2.gz UJPATKGXIRMDJG-INIZCTEOSA-N -1 0 316.361 0.971 50 0 DCAARM COC[C@H](c1ccccn1)N(C)C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC001529119753 1014498922 /nfs/dbraw/zinc/49/89/22/1014498922.db2.gz LBSNTTDUQGDICU-GFCCVEGCSA-N -1 0 318.333 0.671 50 0 DCAARM COc1ccccc1-n1cc(CNCc2n[nH]c(=O)[n-]2)cn1 ZINC001506421531 1017267002 /nfs/dbraw/zinc/26/70/02/1017267002.db2.gz IYLJRYVMXZGCTO-UHFFFAOYSA-N -1 0 300.322 0.994 50 0 DCAARM CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262566388 529960878 /nfs/dbraw/zinc/96/08/78/529960878.db2.gz BJWBLSFPOCKLOC-BFHYXJOUSA-N -1 0 307.346 0.743 50 0 DCAARM CN1C(=O)N(CC(=O)NCCC(=O)[O-])C(=O)C12CCCCC2 ZINC000299753038 530045408 /nfs/dbraw/zinc/04/54/08/530045408.db2.gz WPFAEZRDWKZBOA-UHFFFAOYSA-N -1 0 311.338 0.174 50 0 DCAARM CCCC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000262406541 282580970 /nfs/dbraw/zinc/58/09/70/282580970.db2.gz ARYJCMSPOUWRFY-NEPJUHHUSA-N -1 0 312.366 0.337 50 0 DCAARM C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)[O-] ZINC000071375549 190962669 /nfs/dbraw/zinc/96/26/69/190962669.db2.gz LTDZZHZNWVZEHS-SNVBAGLBSA-N -1 0 301.302 0.500 50 0 DCAARM COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000152456574 186075203 /nfs/dbraw/zinc/07/52/03/186075203.db2.gz KDIMQSOJEDWPCE-QWRGUYRKSA-N -1 0 315.329 0.995 50 0 DCAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)Cc1ccncc1)C2 ZINC000072407247 191152953 /nfs/dbraw/zinc/15/29/53/191152953.db2.gz KRZYXHOXJCXHKY-UHFFFAOYSA-N -1 0 314.345 0.880 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)CCO1 ZINC000072424876 191160084 /nfs/dbraw/zinc/16/00/84/191160084.db2.gz LQGZHYBFNVYSHO-LBPRGKRZSA-N -1 0 305.290 0.450 50 0 DCAARM CNc1cc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)nc(N)n1 ZINC000072462552 191172226 /nfs/dbraw/zinc/17/22/26/191172226.db2.gz ZTZQYUYIRYZBCP-UHFFFAOYSA-N -1 0 317.353 0.377 50 0 DCAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000072457872 191172906 /nfs/dbraw/zinc/17/29/06/191172906.db2.gz VSZKVPDDVOTQIW-GFCCVEGCSA-N -1 0 307.350 0.855 50 0 DCAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000206531 180725553 /nfs/dbraw/zinc/72/55/53/180725553.db2.gz JMVLYTLDKYADRF-QMMMGPOBSA-N -1 0 300.336 0.773 50 0 DCAARM CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000002641074 180942907 /nfs/dbraw/zinc/94/29/07/180942907.db2.gz AERAMFZBFSAFDP-SECBINFHSA-N -1 0 314.388 0.931 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004380657 181103902 /nfs/dbraw/zinc/10/39/02/181103902.db2.gz QDCLWKHKBCWTDH-RKDXNWHRSA-N -1 0 307.693 0.330 50 0 DCAARM CCN(C[C@@H](O)CS(=O)(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000004517617 181118839 /nfs/dbraw/zinc/11/88/39/181118839.db2.gz BTIDJAQNJLWPTI-LLVKDONJSA-N -1 0 319.379 0.779 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000004812578 181155530 /nfs/dbraw/zinc/15/55/30/181155530.db2.gz VMYXSAJOWAPRHM-GHMZBOCLSA-N -1 0 301.302 0.294 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2 ZINC000004893454 181169208 /nfs/dbraw/zinc/16/92/08/181169208.db2.gz NCSPAOJVBXCTFA-OLZOCXBDSA-N -1 0 323.308 0.830 50 0 DCAARM Cc1n[n-]c(SCC(=O)NCCc2ccccc2)nc1=O ZINC000004920987 181173273 /nfs/dbraw/zinc/17/32/73/181173273.db2.gz JZKWURWKZMXRHD-UHFFFAOYSA-N -1 0 304.375 0.924 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000005069242 181200795 /nfs/dbraw/zinc/20/07/95/181200795.db2.gz UZPWBSVAGQUZSZ-GXSJLCMTSA-N -1 0 316.273 0.379 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000268943634 238254410 /nfs/dbraw/zinc/25/44/10/238254410.db2.gz MWFGUQYOBARXOR-DCAQKATOSA-N -1 0 321.333 0.193 50 0 DCAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ncc[nH]1)CC2 ZINC000091644422 193084192 /nfs/dbraw/zinc/08/41/92/193084192.db2.gz WVBDSLCWSRTDEF-LBPRGKRZSA-N -1 0 306.366 0.697 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CNC(=O)c4ccccc4NC(=O)[C@H]13)O2 ZINC000247424542 304160699 /nfs/dbraw/zinc/16/06/99/304160699.db2.gz SCRYGNWYNGHETK-LSSIXWDNSA-N -1 0 314.297 0.393 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000017953415 182087904 /nfs/dbraw/zinc/08/79/04/182087904.db2.gz BLARNBWXGUKFJQ-WPRPVWTQSA-N -1 0 308.677 0.757 50 0 DCAARM CNC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000037414814 182890212 /nfs/dbraw/zinc/89/02/12/182890212.db2.gz QIIDMTWZBUGQFM-NSHDSACASA-N -1 0 314.363 0.434 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000268997354 304200198 /nfs/dbraw/zinc/20/01/98/304200198.db2.gz WWCNXBVKWRCGNZ-GFCCVEGCSA-N -1 0 302.286 0.866 50 0 DCAARM CS(=O)(=O)[N-]C(=O)COc1ccc(Br)cc1 ZINC000040544074 183099334 /nfs/dbraw/zinc/09/93/34/183099334.db2.gz OCGGONWSWBSCEV-UHFFFAOYSA-N -1 0 308.153 0.904 50 0 DCAARM O=C([O-])CNc1ccccc1C(=O)N1CCS(=O)(=O)CC1 ZINC000065462878 184349068 /nfs/dbraw/zinc/34/90/68/184349068.db2.gz OPPJOEPQMGTMRD-UHFFFAOYSA-N -1 0 312.347 0.054 50 0 DCAARM O=C([O-])c1cccc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000263273054 304258347 /nfs/dbraw/zinc/25/83/47/304258347.db2.gz MQFWXNHIQSEHEC-ZUZCIYMTSA-N -1 0 306.318 0.848 50 0 DCAARM CN(Cc1[nH]nc2c1CCCCC2)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426574913 257246342 /nfs/dbraw/zinc/24/63/42/257246342.db2.gz ZULBBVHVKBVGRY-UHFFFAOYSA-N -1 0 304.354 0.703 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CN1Cc2ccccc2C1 ZINC000426518323 257247627 /nfs/dbraw/zinc/24/76/27/257247627.db2.gz MHUBXEUVKAEHQJ-AWEZNQCLSA-N -1 0 314.345 0.537 50 0 DCAARM Cc1cc(F)ccc1S(=O)(=O)N1CCN[C@H](C(=O)[O-])C1 ZINC000071775785 184841345 /nfs/dbraw/zinc/84/13/45/184841345.db2.gz VKENELHTGQHQML-JTQLQIEISA-N -1 0 302.327 0.181 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008699059 395684896 /nfs/dbraw/zinc/68/48/96/395684896.db2.gz DZEXZYYBRHNYOT-UHFFFAOYSA-N -1 0 302.327 0.217 50 0 DCAARM COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000008939840 395684981 /nfs/dbraw/zinc/68/49/81/395684981.db2.gz DDTVYRVUEMUBRK-SNVBAGLBSA-N -1 0 315.347 0.313 50 0 DCAARM Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000012507992 395687823 /nfs/dbraw/zinc/68/78/23/395687823.db2.gz XACZLWQSTXATNY-UHFFFAOYSA-N -1 0 306.347 0.740 50 0 DCAARM Cc1cccc2nc(C(=O)[N-]n3cnc4c(cnn4C)c3=O)cn21 ZINC000012627511 395687879 /nfs/dbraw/zinc/68/78/79/395687879.db2.gz LMYLIPWAKGOKFH-UHFFFAOYSA-N -1 0 323.316 0.470 50 0 DCAARM COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000000037316 395679676 /nfs/dbraw/zinc/67/96/76/395679676.db2.gz KXBVANCVBWUHCU-SNVBAGLBSA-N -1 0 315.347 0.942 50 0 DCAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCC(N)=O ZINC000000053685 395679684 /nfs/dbraw/zinc/67/96/84/395679684.db2.gz ZKBJCVHWLYBQIN-UFBFGSQYSA-N -1 0 312.347 0.348 50 0 DCAARM O=C([O-])[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000000091139 395679791 /nfs/dbraw/zinc/67/97/91/395679791.db2.gz ZNIKCDQUKAIUGM-QMMMGPOBSA-N -1 0 324.152 0.173 50 0 DCAARM NC(=O)CSc1nnnn1C[C@H](CC(=O)[O-])c1ccccc1 ZINC000000537201 395680598 /nfs/dbraw/zinc/68/05/98/395680598.db2.gz KVFXMYSTVLIWOY-JTQLQIEISA-N -1 0 321.362 0.509 50 0 DCAARM C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000036593530 395723440 /nfs/dbraw/zinc/72/34/40/395723440.db2.gz QKYAEWMMTGCAQC-MRVPVSSYSA-N -1 0 303.311 0.579 50 0 DCAARM CN(C)C(=O)CCc1ccccc1NC(=O)NCc1nnn[n-]1 ZINC000096165087 395746515 /nfs/dbraw/zinc/74/65/15/395746515.db2.gz JGDWXSRBGMXSJK-UHFFFAOYSA-N -1 0 317.353 0.542 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000100048930 395762435 /nfs/dbraw/zinc/76/24/35/395762435.db2.gz PTCQESBPQMEHJX-MNOVXSKESA-N -1 0 301.302 0.375 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000100048923 395762677 /nfs/dbraw/zinc/76/26/77/395762677.db2.gz PTCQESBPQMEHJX-WDEREUQCSA-N -1 0 301.302 0.375 50 0 DCAARM COCc1nn2c(nc(CSCC(=O)[O-])cc2=O)s1 ZINC000045951725 395768979 /nfs/dbraw/zinc/76/89/79/395768979.db2.gz HHAVKWOOEQQCFH-UHFFFAOYSA-N -1 0 301.349 0.615 50 0 DCAARM Cc1ccc([C@@H](C(=O)NCCc2n[nH]c(=O)[n-]2)N(C)C)cc1 ZINC000219043122 395844904 /nfs/dbraw/zinc/84/49/04/395844904.db2.gz YWGHNOXYJAQFBJ-ZDUSSCGKSA-N -1 0 303.366 0.368 50 0 DCAARM Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@H](CO)C(C)C)c2=O ZINC000252508680 396022296 /nfs/dbraw/zinc/02/22/96/396022296.db2.gz XQULJFSWCCROMK-GFCCVEGCSA-N -1 0 321.381 0.512 50 0 DCAARM CCS(=O)(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1 ZINC000067642675 396030040 /nfs/dbraw/zinc/03/00/40/396030040.db2.gz BNJKPBFIPANODH-UHFFFAOYSA-N -1 0 313.379 0.699 50 0 DCAARM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cscn1 ZINC000262099051 396098800 /nfs/dbraw/zinc/09/88/00/396098800.db2.gz DGTBSFWGNRCTIN-VIFPVBQESA-N -1 0 311.363 0.538 50 0 DCAARM O=C([O-])c1n[nH]cc1CN1CCNC(=O)[C@H]1c1ccc(F)cc1 ZINC000071762203 396114396 /nfs/dbraw/zinc/11/43/96/396114396.db2.gz GLPRKEQNNBHSDM-CYBMUJFWSA-N -1 0 318.308 0.920 50 0 DCAARM Cc1cc(F)ccc1S(=O)(=O)N1CCN[C@@H](C(=O)[O-])C1 ZINC000071775786 396114478 /nfs/dbraw/zinc/11/44/78/396114478.db2.gz VKENELHTGQHQML-SNVBAGLBSA-N -1 0 302.327 0.181 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])CC2 ZINC000262402720 396135968 /nfs/dbraw/zinc/13/59/68/396135968.db2.gz MQGXUOHAYLSRJP-WDEREUQCSA-N -1 0 324.358 0.205 50 0 DCAARM O=C([O-])[C@@]1(F)CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000262883645 396190228 /nfs/dbraw/zinc/19/02/28/396190228.db2.gz ZIERXSCHSISBNS-GFCCVEGCSA-N -1 0 307.343 0.369 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000262897132 396190675 /nfs/dbraw/zinc/19/06/75/396190675.db2.gz AZVXLCHYCBZMIQ-AWEZNQCLSA-N -1 0 315.329 0.727 50 0 DCAARM C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)[O-] ZINC000135898618 158339820 /nfs/dbraw/zinc/33/98/20/158339820.db2.gz LLKZLGDTTIZUJL-IUCAKERBSA-N -1 0 320.301 0.358 50 0 DCAARM CC(C)NS(=O)(=O)c1cccnc1N(C)C[C@H](C)C(=O)[O-] ZINC000263559176 158888316 /nfs/dbraw/zinc/88/83/16/158888316.db2.gz QHCCITGIGYIFRK-JTQLQIEISA-N -1 0 315.395 0.925 50 0 DCAARM CCCc1noc(CCCC(=O)N2CCOC[C@H]2C(=O)[O-])n1 ZINC000268996291 415247855 /nfs/dbraw/zinc/24/78/55/415247855.db2.gz WPJCDKYETLXMRV-JTQLQIEISA-N -1 0 311.338 0.657 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 ZINC000269039198 415248675 /nfs/dbraw/zinc/24/86/75/415248675.db2.gz PTGFPZOKFGUMLF-JTQLQIEISA-N -1 0 307.302 0.774 50 0 DCAARM Cn1ccc(CC(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)c1 ZINC000072408627 415413300 /nfs/dbraw/zinc/41/33/00/415413300.db2.gz BGNDCHTYDIACPE-UHFFFAOYSA-N -1 0 316.361 0.867 50 0 DCAARM Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)s1 ZINC000101763740 415596504 /nfs/dbraw/zinc/59/65/04/415596504.db2.gz ULNQOJFOARLACH-SSDOTTSWSA-N -1 0 306.347 0.588 50 0 DCAARM CC(C)CN1C[C@H](C(=O)Nc2cnn(CC(=O)[O-])c2)CC1=O ZINC000315069623 416113540 /nfs/dbraw/zinc/11/35/40/416113540.db2.gz IJKGMVCPUXLJHU-SNVBAGLBSA-N -1 0 308.338 0.411 50 0 DCAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000583650590 416480325 /nfs/dbraw/zinc/48/03/25/416480325.db2.gz NXWNFWWDMIVEEL-UONOGXRCSA-N -1 0 318.329 0.276 50 0 DCAARM Cn1ncc(NS(=O)(=O)C[C@@H]2CCCCO2)c1C(=O)[O-] ZINC000539195952 416577336 /nfs/dbraw/zinc/57/73/36/416577336.db2.gz IKWGJXDHVOQDCU-QMMMGPOBSA-N -1 0 303.340 0.429 50 0 DCAARM NC(=O)c1cc(F)c(F)cc1[N-]S(=O)(=O)N1CCCC1 ZINC000451089891 417298040 /nfs/dbraw/zinc/29/80/40/417298040.db2.gz SPPZDFSSRIIVNJ-UHFFFAOYSA-N -1 0 305.306 0.816 50 0 DCAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1S(N)(=O)=O ZINC000299741849 229376451 /nfs/dbraw/zinc/37/64/51/229376451.db2.gz HFWIXAPIUDVHTK-SNVBAGLBSA-N -1 0 312.347 0.189 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000316797659 261175468 /nfs/dbraw/zinc/17/54/68/261175468.db2.gz RPLIVBOKEQVUDR-MORRKMRCSA-N -1 0 305.286 0.741 50 0 DCAARM COc1ccc(CNC(=O)[C@@H](C)S(C)(=O)=O)cc1C(=O)[O-] ZINC000095350445 295133735 /nfs/dbraw/zinc/13/37/35/295133735.db2.gz SQYDMCYXOSXCOG-MRVPVSSYSA-N -1 0 315.347 0.443 50 0 DCAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000261676602 297660650 /nfs/dbraw/zinc/66/06/50/297660650.db2.gz HQMQLXIYIDTYAV-FIXISWKDSA-N -1 0 321.329 0.917 50 0 DCAARM O=C1CCC(=O)N1c1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000101008798 304622577 /nfs/dbraw/zinc/62/25/77/304622577.db2.gz TWDJPBLWHQLHOI-UHFFFAOYSA-N -1 0 309.285 0.738 50 0 DCAARM Cc1cc(C)nc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095364413 301262649 /nfs/dbraw/zinc/26/26/49/301262649.db2.gz KIQHPMJBDKSHKW-LBPRGKRZSA-N -1 0 318.377 0.995 50 0 DCAARM Cc1[nH+]c(N)nc(N2CCC[C@H](C(=O)[O-])C2)c1CCC(=O)[O-] ZINC000095368105 302597710 /nfs/dbraw/zinc/59/77/10/302597710.db2.gz DQWSQXIORBKIFC-VIFPVBQESA-N -1 0 308.338 0.685 50 0 DCAARM CCN(CCOc1cccc(Cl)c1)C(=O)Cn1[n-]nnc1=N ZINC000952966353 685598680 /nfs/dbraw/zinc/59/86/80/685598680.db2.gz WCZXJERWIYMONC-UHFFFAOYSA-N -1 0 324.772 0.667 50 0 DCAARM COCc1cc(=O)[nH]c(N2CC[C@H](Nc3ncccn3)C2)n1 ZINC000952995432 685603584 /nfs/dbraw/zinc/60/35/84/685603584.db2.gz LUNSYQNKHZKAOO-JTQLQIEISA-N -1 0 302.338 0.809 50 0 DCAARM Cc1ccnc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)n1 ZINC000067723869 685069959 /nfs/dbraw/zinc/06/99/59/685069959.db2.gz LDPJTCGIFTVTRO-LLVKDONJSA-N -1 0 302.338 0.991 50 0 DCAARM Cc1[nH+]c(N(C)C)nc(N2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1C ZINC001704304696 1179967570 /nfs/dbraw/zinc/96/75/70/1179967570.db2.gz HYFRTVVDURNKQG-GASCZTMLSA-N -1 0 320.349 0.525 50 0 DCAARM COc1ccc(O)cc1C[N@@H+]1C[C@@]2(C(=O)[O-])C[C@@]2(C(=O)[O-])C1 ZINC001704326254 1179974057 /nfs/dbraw/zinc/97/40/57/1179974057.db2.gz ZJCRQYVDDGVLLC-GASCZTMLSA-N -1 0 307.302 0.762 50 0 DCAARM Nc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1 ZINC000585138050 766293666 /nfs/dbraw/zinc/29/36/66/766293666.db2.gz KVSJAUSGYTVJII-LBPRGKRZSA-N -1 0 305.334 0.464 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N([C@H]2CCN(C(=O)OCC(F)(F)F)C2)C1 ZINC000952876111 768938780 /nfs/dbraw/zinc/93/87/80/768938780.db2.gz YOVRIQHIELLTAH-YUMQZZPRSA-N -1 0 324.255 0.693 50 0 DCAARM O=C(NC[C@H]1CCCC[C@H]1OCC(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000095400292 185354131 /nfs/dbraw/zinc/35/41/31/185354131.db2.gz RLSFGSOWFRWEDJ-HTQZYQBOSA-N -1 0 322.287 0.966 50 0 DCAARM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(F)c(F)c1F ZINC000095414342 185358590 /nfs/dbraw/zinc/35/85/90/185358590.db2.gz GHIWRSBEXHFKJR-UHFFFAOYSA-N -1 0 300.240 0.878 50 0 DCAARM Cc1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c(Cl)c1 ZINC000095461184 185370871 /nfs/dbraw/zinc/37/08/71/185370871.db2.gz YKVLEMBHSCWVEW-UHFFFAOYSA-N -1 0 309.713 0.315 50 0 DCAARM CNC(=O)Cc1csc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071285500 190953410 /nfs/dbraw/zinc/95/34/10/190953410.db2.gz OKXVPTMQZOXUCH-RKDXNWHRSA-N -1 0 311.363 0.727 50 0 DCAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000071280287 190952246 /nfs/dbraw/zinc/95/22/46/190952246.db2.gz BWONXPRRGAISFT-GHMZBOCLSA-N -1 0 301.306 0.958 50 0 DCAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000237453757 186292038 /nfs/dbraw/zinc/29/20/38/186292038.db2.gz ITYJMOONIZENRP-CMPLNLGQSA-N -1 0 315.333 0.977 50 0 DCAARM COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000000037315 180674559 /nfs/dbraw/zinc/67/45/59/180674559.db2.gz KXBVANCVBWUHCU-JTQLQIEISA-N -1 0 315.347 0.942 50 0 DCAARM Cn1cccc1-c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000072469960 191175431 /nfs/dbraw/zinc/17/54/31/191175431.db2.gz CWJKDADCUOGARA-GFCCVEGCSA-N -1 0 304.306 0.341 50 0 DCAARM O=C([O-])CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000004200412 181084825 /nfs/dbraw/zinc/08/48/25/181084825.db2.gz ITGYIUYEIZSBOC-UHFFFAOYSA-N -1 0 315.347 0.991 50 0 DCAARM COc1ccccc1CCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237152723 202169205 /nfs/dbraw/zinc/16/92/05/202169205.db2.gz KLJCGPCIUUYUQH-CYBMUJFWSA-N -1 0 306.362 0.903 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000237778623 202351631 /nfs/dbraw/zinc/35/16/31/202351631.db2.gz YKEMDUFCMRANCV-PELKAZGASA-N -1 0 322.283 0.720 50 0 DCAARM O=C([O-])[C@@H]1CCCN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000262681142 238178662 /nfs/dbraw/zinc/17/86/62/238178662.db2.gz 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/nfs/dbraw/zinc/13/52/36/304135236.db2.gz ZEIQJTFNTKLCDR-GXSJLCMTSA-N -1 0 309.343 0.852 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CNC(=O)c4ccccc4NC(=O)[C@@H]13)O2 ZINC000015414378 304160459 /nfs/dbraw/zinc/16/04/59/304160459.db2.gz SCRYGNWYNGHETK-DSZLRUIBSA-N -1 0 314.297 0.393 50 0 DCAARM O=C(NCCN1CCOCC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000019228995 182108779 /nfs/dbraw/zinc/10/87/79/182108779.db2.gz HULLBLSNLVDTEY-UHFFFAOYSA-N -1 0 317.345 0.296 50 0 DCAARM CC[C@H](C(=O)[O-])N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000021635679 182281189 /nfs/dbraw/zinc/28/11/89/182281189.db2.gz RZZUCJIXGVESDR-GFCCVEGCSA-N -1 0 308.309 0.860 50 0 DCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(=O)[nH]c1 ZINC000022203304 182313413 /nfs/dbraw/zinc/31/34/13/182313413.db2.gz XAYYARHQXUYWMN-UHFFFAOYSA-N -1 0 316.342 0.945 50 0 DCAARM COc1cc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc(OC)c1O ZINC000101675777 193834313 /nfs/dbraw/zinc/83/43/13/193834313.db2.gz ZQVFQQLKHZZYOM-QMMMGPOBSA-N -1 0 319.277 0.379 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2c1cccc2Cl ZINC000040313019 183054316 /nfs/dbraw/zinc/05/43/16/183054316.db2.gz WUPSWVQFZXPAFI-UHFFFAOYSA-N -1 0 323.736 0.612 50 0 biogenic DCAARM C[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000049547693 183740046 /nfs/dbraw/zinc/74/00/46/183740046.db2.gz FBSBVBAOIMIDKZ-VIFPVBQESA-N -1 0 319.292 0.639 50 0 DCAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nncn32)cc1 ZINC000049551826 183740476 /nfs/dbraw/zinc/74/04/76/183740476.db2.gz CKYDXGSZEIVVMD-VIFPVBQESA-N -1 0 301.262 0.498 50 0 DCAARM O=C([O-])c1cc(I)ccc1-n1cnnn1 ZINC000002656559 304225598 /nfs/dbraw/zinc/22/55/98/304225598.db2.gz SPRAXFHDMAPZNE-UHFFFAOYSA-N -1 0 316.058 0.965 50 0 DCAARM CS(=O)(=O)c1ccc(C(=O)CNC(=O)CCC(=O)[O-])cc1 ZINC000057218527 184029973 /nfs/dbraw/zinc/02/99/73/184029973.db2.gz CRHUQDJXIUENJB-UHFFFAOYSA-N -1 0 313.331 0.254 50 0 DCAARM CC(C)(NC(=O)c1cccs1)C(=O)NCCCc1nnn[n-]1 ZINC000065423997 184341941 /nfs/dbraw/zinc/34/19/41/184341941.db2.gz QUQYPNWTXIOJLG-UHFFFAOYSA-N -1 0 322.394 0.519 50 0 DCAARM O=C([O-])c1cccc(S(=O)(=O)NCCCn2cccn2)c1 ZINC000065437064 184345606 /nfs/dbraw/zinc/34/56/06/184345606.db2.gz XEJRSLLROVXAFM-UHFFFAOYSA-N -1 0 309.347 0.950 50 0 DCAARM CCN1C[C@H](Nc2nc(N)nc3ccc(C(=O)[O-])cc32)CC1=O ZINC000065459891 184348628 /nfs/dbraw/zinc/34/86/28/184348628.db2.gz YHLVKZFGKQYXSE-SECBINFHSA-N -1 0 315.333 0.943 50 0 DCAARM CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2ccccc2)cn1 ZINC000066242179 184398224 /nfs/dbraw/zinc/39/82/24/184398224.db2.gz XJKUHEXOTKDDSO-UHFFFAOYSA-N -1 0 308.363 0.772 50 0 DCAARM COC(=O)[C@H](C)NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000069440072 184515030 /nfs/dbraw/zinc/51/50/30/184515030.db2.gz UZRAEZJOGVZVBB-VIFPVBQESA-N -1 0 314.363 0.658 50 0 DCAARM O=C([O-])c1ccc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)nc1 ZINC000072418090 304246526 /nfs/dbraw/zinc/24/65/26/304246526.db2.gz QESXUVJBWXBCQO-NSHDSACASA-N -1 0 305.334 0.813 50 0 DCAARM O=C(CCn1ccnn1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000225788421 256597058 /nfs/dbraw/zinc/59/70/58/256597058.db2.gz NEJGBJUYLRQYBZ-UHFFFAOYSA-N -1 0 308.363 0.357 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000426535726 257246965 /nfs/dbraw/zinc/24/69/65/257246965.db2.gz VPOJOKOHVPCEKL-UHFFFAOYSA-N -1 0 304.306 0.645 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)N1CCN(C2CCCCC2)C(=O)C1 ZINC000426519344 257247842 /nfs/dbraw/zinc/24/78/42/257247842.db2.gz WGDYZVVGTVJCMK-UHFFFAOYSA-N -1 0 320.349 0.725 50 0 DCAARM NC(=O)[C@@H]1CN(C(=O)CSCCC(=O)[O-])c2ccccc2O1 ZINC000025105579 134661773 /nfs/dbraw/zinc/66/17/73/134661773.db2.gz SDNYVGUVTOZEQL-NSHDSACASA-N -1 0 324.358 0.474 50 0 DCAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NN2CCN(C)CC2)C1=O ZINC000009328084 395685303 /nfs/dbraw/zinc/68/53/03/395685303.db2.gz GIMAIWWVYYEEPZ-VAWYXSNFSA-N -1 0 323.397 0.731 50 0 DCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C)C1 ZINC000013455956 395688499 /nfs/dbraw/zinc/68/84/99/395688499.db2.gz MDDHQPFNDFJIBU-VIFPVBQESA-N -1 0 315.347 0.803 50 0 DCAARM C[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000000115612 395679790 /nfs/dbraw/zinc/67/97/90/395679790.db2.gz MTYLPHNWVRTVTB-ZCFIWIBFSA-N -1 0 310.310 0.717 50 0 DCAARM CC(C)C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002346378 395681355 /nfs/dbraw/zinc/68/13/55/395681355.db2.gz GWVVZPFHNADKPZ-LBPRGKRZSA-N -1 0 318.333 0.407 50 0 DCAARM O=C([O-])C[C@H](C(=O)OCCc1ccccc1)N1CCOCC1 ZINC000002246387 395681398 /nfs/dbraw/zinc/68/13/98/395681398.db2.gz YZZMAHSMRDHQDU-CQSZACIVSA-N -1 0 307.346 0.948 50 0 DCAARM COC(=O)C(C(=O)OC)c1ccc(NC(=O)/C=C/C(=O)[O-])cn1 ZINC000002509211 395681582 /nfs/dbraw/zinc/68/15/82/395681582.db2.gz BHZUSIZTYFFRFC-AATRIKPKSA-N -1 0 322.273 0.091 50 0 DCAARM CCn1ncc(Cl)c1CNC(=O)c1nn(C)cc1C(=O)[O-] ZINC000036615420 395723890 /nfs/dbraw/zinc/72/38/90/395723890.db2.gz UVOQADCMKNJHKW-UHFFFAOYSA-N -1 0 311.729 0.918 50 0 DCAARM CS(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561445 395727935 /nfs/dbraw/zinc/72/79/35/395727935.db2.gz JENQIGNVWNRWKW-VQXHTEKXSA-N -1 0 318.395 0.170 50 0 DCAARM COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037796067 395729085 /nfs/dbraw/zinc/72/90/85/395729085.db2.gz YLCHMDBWABWIIG-YUMQZZPRSA-N -1 0 314.319 0.002 50 0 DCAARM Cn1ccc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)n1 ZINC000226687649 395866937 /nfs/dbraw/zinc/86/69/37/395866937.db2.gz OUOSTNLCRJWEHQ-UHFFFAOYSA-N -1 0 310.335 0.085 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000261693707 396057128 /nfs/dbraw/zinc/05/71/28/396057128.db2.gz JITFMCXONWAFEQ-JTQLQIEISA-N -1 0 320.301 0.333 50 0 DCAARM Cn1cc([C@H](c2sc3ncnn3c2[O-])N2CCOCC2)cn1 ZINC000252482572 396020039 /nfs/dbraw/zinc/02/00/39/396020039.db2.gz DJICWBKDINWIMJ-SNVBAGLBSA-N -1 0 320.378 0.652 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000261926725 396080006 /nfs/dbraw/zinc/08/00/06/396080006.db2.gz YIHDXBFALUJUOF-LLVKDONJSA-N -1 0 301.306 0.138 50 0 DCAARM CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)C(=O)[O-])ccc2c1=O ZINC000262718283 396175632 /nfs/dbraw/zinc/17/56/32/396175632.db2.gz HFRHLZIEOZLLGL-SSDOTTSWSA-N -1 0 305.290 0.325 50 0 DCAARM CC(C)Oc1cccnc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262827510 396185591 /nfs/dbraw/zinc/18/55/91/396185591.db2.gz WZBPTZFEYFYPKE-UHFFFAOYSA-N -1 0 308.334 0.921 50 0 DCAARM Cn1cc(Br)cc1C(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000079018458 396260143 /nfs/dbraw/zinc/26/01/43/396260143.db2.gz WPMKQYRTFKLTIB-UHFFFAOYSA-N -1 0 314.143 0.172 50 0 DCAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCn2cccn2)N1C1CC1 ZINC000630657883 397072847 /nfs/dbraw/zinc/07/28/47/397072847.db2.gz WINYRIUTFMFYHE-OLZOCXBDSA-N -1 0 306.366 0.469 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CCO1 ZINC000387004899 397292189 /nfs/dbraw/zinc/29/21/89/397292189.db2.gz AADQVPVCIIMNFE-QDOCKXBDSA-N -1 0 305.286 0.741 50 0 DCAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2cncc(C(N)=O)n2)C1 ZINC000091535959 292379416 /nfs/dbraw/zinc/37/94/16/292379416.db2.gz UWQDFOGLGKNNCN-HNNXBMFYSA-N -1 0 322.365 0.673 50 0 DCAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CCCOC1 ZINC000262109881 158774352 /nfs/dbraw/zinc/77/43/52/158774352.db2.gz ODFOBBJBNCRJNO-GFCCVEGCSA-N -1 0 312.366 0.195 50 0 DCAARM COc1c(F)ccc(F)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262919127 158848234 /nfs/dbraw/zinc/84/82/34/158848234.db2.gz UUNXXVVOIWDPGH-SECBINFHSA-N -1 0 301.245 0.899 50 0 DCAARM Cc1ccoc1C(=O)N1CCc2c(c(C(=O)[O-])nn2CCO)C1 ZINC000067723870 415383929 /nfs/dbraw/zinc/38/39/29/415383929.db2.gz XRBMWCHIYRJOGZ-UHFFFAOYSA-N -1 0 319.317 0.674 50 0 DCAARM Cc1ccc2[nH]c(COCC(=O)NCc3nnn[n-]3)nc2c1 ZINC000097179422 415586668 /nfs/dbraw/zinc/58/66/68/415586668.db2.gz SSZYSBOKBHRKNV-UHFFFAOYSA-N -1 0 301.310 0.217 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100916240 415593592 /nfs/dbraw/zinc/59/35/92/415593592.db2.gz HPDVHPKKACYSDP-NWDGAFQWSA-N -1 0 315.329 0.684 50 0 DCAARM O=C([O-])CN1CCn2nc(CNC(=O)C3CCCC3)cc2C1 ZINC000299774998 416066461 /nfs/dbraw/zinc/06/64/61/416066461.db2.gz KGNMIOGHSGAHAG-UHFFFAOYSA-N -1 0 306.366 0.590 50 0 DCAARM O=C([O-])C1(NC(=O)c2cn(-c3ccccc3)nn2)CCOCC1 ZINC000322896540 416121244 /nfs/dbraw/zinc/12/12/44/416121244.db2.gz GJNQRIMFHCAPKC-UHFFFAOYSA-N -1 0 316.317 0.631 50 0 DCAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000179072384 416180368 /nfs/dbraw/zinc/18/03/68/416180368.db2.gz UONRLJLVZXVQQD-LLVKDONJSA-N -1 0 321.358 0.968 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000331107000 416265947 /nfs/dbraw/zinc/26/59/47/416265947.db2.gz GVBCGTODJXRHOL-WDEREUQCSA-N -1 0 302.396 0.771 50 0 DCAARM C[C@@](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)(C(=O)[O-])C1CC1 ZINC000237723814 416328758 /nfs/dbraw/zinc/32/87/58/416328758.db2.gz NPYYETXJWDKVHJ-HWPZZCPQSA-N -1 0 320.345 0.998 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CCO1 ZINC000238196406 416329718 /nfs/dbraw/zinc/32/97/18/416329718.db2.gz VTNHTWIVCIRFQC-GFCCVEGCSA-N -1 0 303.318 0.738 50 0 DCAARM COc1ccccc1OCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000583650612 416480116 /nfs/dbraw/zinc/48/01/16/416480116.db2.gz QDRWOMLEUYGDLW-ZDUSSCGKSA-N -1 0 309.318 0.776 50 0 DCAARM NC(=O)Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000583652319 416482232 /nfs/dbraw/zinc/48/22/32/416482232.db2.gz VCEZCYQFBPAXDN-LBPRGKRZSA-N -1 0 320.345 0.416 50 0 DCAARM Cc1ncc2n1C[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CC2 ZINC000630136242 417811167 /nfs/dbraw/zinc/81/11/67/417811167.db2.gz XYLUVWWTSMVPTO-JTQLQIEISA-N -1 0 303.322 0.674 50 0 DCAARM COCc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000654786447 418187789 /nfs/dbraw/zinc/18/77/89/418187789.db2.gz NSRKKMKBUABFOR-GFCCVEGCSA-N -1 0 315.347 0.307 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)CCn2c(=O)oc3ccccc32)C1 ZINC000299742173 229380180 /nfs/dbraw/zinc/38/01/80/229380180.db2.gz IHFFCBXVFUEESA-SNVBAGLBSA-N -1 0 304.302 0.918 50 0 DCAARM NC(=O)c1cccc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000299746869 229388988 /nfs/dbraw/zinc/38/89/88/229388988.db2.gz BMGSKZKZCLFWMO-ZDUSSCGKSA-N -1 0 320.345 0.881 50 0 DCAARM O=C([O-])[C@@H](CNS(=O)(=O)c1cccnc1)C1CCOCC1 ZINC000562994661 288614237 /nfs/dbraw/zinc/61/42/37/288614237.db2.gz YVXPPKJYVGDGAG-LBPRGKRZSA-N -1 0 314.363 0.487 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000091410284 292728520 /nfs/dbraw/zinc/72/85/20/292728520.db2.gz WMSSXWBWMLSADU-OAHLLOKOSA-N -1 0 308.334 0.718 50 0 DCAARM C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000129147820 298108474 /nfs/dbraw/zinc/10/84/74/298108474.db2.gz OJXRRDTVTDXRMX-SKDRFNHKSA-N -1 0 311.359 0.458 50 0 DCAARM C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000135176813 298108518 /nfs/dbraw/zinc/10/85/18/298108518.db2.gz OJXRRDTVTDXRMX-BXKDBHETSA-N -1 0 311.359 0.458 50 0 DCAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])C2 ZINC000268974383 301441340 /nfs/dbraw/zinc/44/13/40/301441340.db2.gz IVNDEBQZIDHZPB-JSGCOSHPSA-N -1 0 305.330 0.919 50 0 DCAARM Cc1ccc2ncc(C(=O)N3CCC[C@H]3C(=O)[O-])c(=O)n2c1 ZINC000237906975 301929202 /nfs/dbraw/zinc/92/92/02/301929202.db2.gz NMUTXTKHDLGJIC-NSHDSACASA-N -1 0 301.302 0.692 50 0 DCAARM Cn1cc(C(=O)[O-])c(S(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000065240418 302910008 /nfs/dbraw/zinc/91/00/08/302910008.db2.gz YWBOZGAVEXKSDM-UHFFFAOYSA-N -1 0 321.358 0.865 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cncn3C)CC2)c1 ZINC000072407812 331930193 /nfs/dbraw/zinc/93/01/93/331930193.db2.gz BKRMNORPLONYMV-UHFFFAOYSA-N -1 0 317.349 0.641 50 0 DCAARM CC(=O)Nc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F ZINC000262556877 519703260 /nfs/dbraw/zinc/70/32/60/519703260.db2.gz YJEBYGLXTIDHKW-GFCCVEGCSA-N -1 0 310.281 0.710 50 0 DCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@H]1c1cccnc1 ZINC000091256055 526287000 /nfs/dbraw/zinc/28/70/00/526287000.db2.gz XIHNEWIVYGQIJH-NWDGAFQWSA-N -1 0 322.346 0.294 50 0 DCAARM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCS(=O)(=O)C1 ZINC000224563813 545942665 /nfs/dbraw/zinc/94/26/65/545942665.db2.gz BQICIBVXOIQTKT-GMTAPVOTSA-N -1 0 303.380 0.523 50 0 DCAARM Cn1cc(Cl)c(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])n1 ZINC000222745017 545942690 /nfs/dbraw/zinc/94/26/90/545942690.db2.gz TZASMTOXRYICBZ-BDAKNGLRSA-N -1 0 317.729 0.062 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(F)cn2)C1 ZINC000685941047 548746980 /nfs/dbraw/zinc/74/69/80/548746980.db2.gz PBYUFNGVJSUXDK-KWQFWETISA-N -1 0 309.297 0.272 50 0 DCAARM Cn1c(=O)c2ccc(Br)cc2n(CC(=O)[O-])c1=O ZINC000725261636 548748805 /nfs/dbraw/zinc/74/88/05/548748805.db2.gz VXUDUBGUGYWIIZ-UHFFFAOYSA-N -1 0 313.107 0.547 50 0 DCAARM O=C([O-])[C@@]1(F)CN(C(=O)C[C@@H]2CCCCO2)CC12COC2 ZINC000888098266 661176439 /nfs/dbraw/zinc/17/64/39/661176439.db2.gz DYKHKWAPYVDJCL-HZMBPMFUSA-N -1 0 301.314 0.597 50 0 DCAARM COc1ccccc1-c1[nH]c2c(c1[O-])n(C)c(=O)n(C)c2=O ZINC000000456504 685047477 /nfs/dbraw/zinc/04/74/77/685047477.db2.gz SYIGVRDFWLUILT-UHFFFAOYSA-N -1 0 301.302 0.947 50 0 DCAARM CCC[C@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nnn[n-]1 ZINC000089949607 185271156 /nfs/dbraw/zinc/27/11/56/185271156.db2.gz SQNCCRITWAJAFU-JTQLQIEISA-N -1 0 315.337 0.500 50 0 DCAARM O=C([O-])[C@H]1C[C@@H](C(=O)NC2CC2)CN(c2ncc(F)cn2)C1 ZINC000072167950 191067295 /nfs/dbraw/zinc/06/72/95/191067295.db2.gz BTBXZCZPTCUNTD-BDAKNGLRSA-N -1 0 308.313 0.421 50 0 DCAARM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1nnc(-c2ccccc2)n1 ZINC000237455257 186292372 /nfs/dbraw/zinc/29/23/72/186292372.db2.gz ITYJMOONIZENRP-JQWIXIFHSA-N -1 0 315.333 0.977 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)c1nc2ccccc2[nH]c1=O ZINC000072409234 191153485 /nfs/dbraw/zinc/15/34/85/191153485.db2.gz GXNMIRGTMOJHFZ-VIFPVBQESA-N -1 0 317.301 0.239 50 0 DCAARM O=C([O-])c1ccccc1CC(=O)NCCCN1CCOCC1 ZINC000072401544 191150558 /nfs/dbraw/zinc/15/05/58/191150558.db2.gz HPHSSTWITPPMBG-UHFFFAOYSA-N -1 0 306.362 0.766 50 0 DCAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3C)CC2)[nH]n1 ZINC000072422973 191158513 /nfs/dbraw/zinc/15/85/13/191158513.db2.gz QSSHQMFNNJWEGB-UHFFFAOYSA-N -1 0 317.349 0.939 50 0 DCAARM CN1c2ccc(S(=O)(=O)NCC(=O)[O-])c3cccc(c23)C1=O ZINC000000816432 180834966 /nfs/dbraw/zinc/83/49/66/180834966.db2.gz GTYJVHSLFRFPEL-UHFFFAOYSA-N -1 0 320.326 0.793 50 0 DCAARM COC(=O)c1cc(NC(=O)/C=C/C(=O)[O-])cc(C(=O)OC)c1 ZINC000002736456 180950537 /nfs/dbraw/zinc/95/05/37/180950537.db2.gz MQDKTNLPPBONNN-ONEGZZNKSA-N -1 0 307.258 0.839 50 0 DCAARM Nc1ncnc2c1nc(S(=O)(=O)[O-])n2Cc1ccccc1 ZINC000003656490 181044137 /nfs/dbraw/zinc/04/41/37/181044137.db2.gz YNXVAEIJYKGOBD-UHFFFAOYSA-N -1 0 305.319 0.704 50 0 DCAARM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CCCC(=O)[O-] ZINC000004179596 181082279 /nfs/dbraw/zinc/08/22/79/181082279.db2.gz FNIAULQAGGDGBL-UHFFFAOYSA-N -1 0 300.336 0.836 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004380658 181104344 /nfs/dbraw/zinc/10/43/44/181104344.db2.gz QDCLWKHKBCWTDH-BDAKNGLRSA-N -1 0 307.693 0.330 50 0 DCAARM CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000004551470 181124061 /nfs/dbraw/zinc/12/40/61/181124061.db2.gz OSQTZFQIJZCOKJ-UHFFFAOYSA-N -1 0 314.319 0.013 50 0 DCAARM NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1nccnc1C(=O)[O-] ZINC000085432590 192504708 /nfs/dbraw/zinc/50/47/08/192504708.db2.gz GOQBSOINCYASFI-SNVBAGLBSA-N -1 0 312.285 0.232 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc2c(c1)OCCO2 ZINC000072152081 304085079 /nfs/dbraw/zinc/08/50/79/304085079.db2.gz BCMZZCJLZJOVIP-NSHDSACASA-N -1 0 307.302 0.774 50 0 DCAARM Cc1cccc2c(=O)n(CC(=O)N3CCC[C@@H]3C(=O)[O-])cnc12 ZINC000237744334 202344356 /nfs/dbraw/zinc/34/43/56/202344356.db2.gz WAFHOWAPSSYNJW-GFCCVEGCSA-N -1 0 315.329 0.781 50 0 DCAARM CNC(=O)c1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cs1 ZINC000006681523 181369773 /nfs/dbraw/zinc/36/97/73/181369773.db2.gz BVPLPLRHUQIQJG-VIFPVBQESA-N -1 0 320.392 0.495 50 0 DCAARM CC(=O)N[C@@H](CCCSc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000006692551 181370601 /nfs/dbraw/zinc/37/06/01/181370601.db2.gz LYCDMFSYQJBFFK-QMMMGPOBSA-N -1 0 309.351 0.815 50 0 DCAARM CC(C)=CC(=O)N1C[C@H]2CN(Cc3ncc[nH]3)C[C@@]2(C(=O)[O-])C1 ZINC000091593495 193076386 /nfs/dbraw/zinc/07/63/86/193076386.db2.gz IXSLFCVUWZWJEN-MLGOLLRUSA-N -1 0 318.377 0.721 50 0 DCAARM CC1(C)C[C@@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000567799509 291378220 /nfs/dbraw/zinc/37/82/20/291378220.db2.gz RUFCZZNIJNUCRR-VHSXEESVSA-N -1 0 306.384 0.327 50 0 DCAARM O=C([O-])CCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000008914647 181590998 /nfs/dbraw/zinc/59/09/98/181590998.db2.gz XZGHYCPBFPQAAI-UHFFFAOYSA-N -1 0 305.290 0.083 50 0 DCAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000262021620 304162809 /nfs/dbraw/zinc/16/28/09/304162809.db2.gz XUHXRAFBCGLPKL-AAEUAGOBSA-N -1 0 323.370 0.632 50 0 DCAARM COc1ccc(C(=O)NN2C[C@@H](C(=O)[O-])CC2=O)cc1OC ZINC000039315675 183016467 /nfs/dbraw/zinc/01/64/67/183016467.db2.gz VLSKMXGLFYHWKN-VIFPVBQESA-N -1 0 308.290 0.282 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 ZINC000043700682 183381868 /nfs/dbraw/zinc/38/18/68/183381868.db2.gz TTWGMBRESZNVGN-QMMMGPOBSA-N -1 0 303.112 0.703 50 0 DCAARM O=C([O-])c1cc(-n2ccnn2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071767963 304220156 /nfs/dbraw/zinc/22/01/56/304220156.db2.gz YPEJRZXUABOEQF-UHFFFAOYSA-N -1 0 322.346 0.750 50 0 DCAARM COc1ccc([C@@H](CC(=O)[N-]S(C)(=O)=O)NC(C)=O)cc1 ZINC000065437298 184345634 /nfs/dbraw/zinc/34/56/34/184345634.db2.gz LBILOJRFGQRDFX-GFCCVEGCSA-N -1 0 314.363 0.338 50 0 DCAARM Cc1nn(C)c(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1Cl ZINC000426575100 257246269 /nfs/dbraw/zinc/24/62/69/257246269.db2.gz XKNOTDNBWKOOLG-VIFPVBQESA-N -1 0 323.740 0.757 50 0 DCAARM Cn1nc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)ccc1=O ZINC000013224530 395688442 /nfs/dbraw/zinc/68/84/42/395688442.db2.gz VZHFFRRWRZRFNU-LBPRGKRZSA-N -1 0 301.302 0.726 50 0 DCAARM O=C1[N-]S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc21 ZINC000000088114 395679857 /nfs/dbraw/zinc/67/98/57/395679857.db2.gz VWQXOPLNYBYYMQ-UHFFFAOYSA-N -1 0 323.351 0.952 50 0 DCAARM Cc1ccc2c(C)nc(NC3=N[C@H](CC(=O)[O-])C(=O)N3)nc2c1 ZINC000000261087 395680154 /nfs/dbraw/zinc/68/01/54/395680154.db2.gz IXYGMUZUDQMGLB-LLVKDONJSA-N -1 0 313.317 0.988 50 0 biogenic DCAARM COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCC(=O)[O-])c2=O ZINC000000256547 395680248 /nfs/dbraw/zinc/68/02/48/395680248.db2.gz DJRIVGMCYURYGD-UHFFFAOYSA-N -1 0 306.274 0.341 50 0 DCAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)NC2CC2)cc1 ZINC000000528743 395680529 /nfs/dbraw/zinc/68/05/29/395680529.db2.gz VGNCSAKDAMXISP-UHFFFAOYSA-N -1 0 319.346 0.731 50 0 DCAARM COc1ccc(/C=C(/NC(C)=O)C(=O)NCCC(=O)[O-])cc1 ZINC000002295735 395681460 /nfs/dbraw/zinc/68/14/60/395681460.db2.gz XBJBLALDXSAKCQ-UKTHLTGXSA-N -1 0 306.318 0.763 50 0 DCAARM CCN(C[C@H](O)CS(=O)(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000002522558 395681598 /nfs/dbraw/zinc/68/15/98/395681598.db2.gz BTIDJAQNJLWPTI-NSHDSACASA-N -1 0 319.379 0.779 50 0 DCAARM C[C@@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)[O-])C1=O ZINC000033520826 395716822 /nfs/dbraw/zinc/71/68/22/395716822.db2.gz SQMJGQJDQCSJHH-JTQLQIEISA-N -1 0 306.318 0.782 50 0 DCAARM CS(=O)(=O)N1CCC[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561446 395727931 /nfs/dbraw/zinc/72/79/31/395727931.db2.gz JENQIGNVWNRWKW-ILDUYXDCSA-N -1 0 318.395 0.170 50 0 DCAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000038022332 395730794 /nfs/dbraw/zinc/73/07/94/395730794.db2.gz BJHQERIRPYKOPQ-JTQLQIEISA-N -1 0 306.384 0.124 50 0 DCAARM CSCc1noc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])n1 ZINC000097634980 395759321 /nfs/dbraw/zinc/75/93/21/395759321.db2.gz FQHCGCTUYAJDIV-VIFPVBQESA-N -1 0 309.351 0.667 50 0 DCAARM CN(C)C(=O)NCc1nc(-c2ccncc2)nn1CC(=O)[O-] ZINC000097696391 395760323 /nfs/dbraw/zinc/76/03/23/395760323.db2.gz RZBPDMXFCJEJMW-UHFFFAOYSA-N -1 0 304.310 0.196 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100165761 395762859 /nfs/dbraw/zinc/76/28/59/395762859.db2.gz BLARNBWXGUKFJQ-SCZZXKLOSA-N -1 0 308.677 0.757 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3C)c(=O)c1-2 ZINC000100628295 395763645 /nfs/dbraw/zinc/76/36/45/395763645.db2.gz ZOQPQDXPGPZXDV-UWVGGRQHSA-N -1 0 321.720 0.639 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)C1(Cn2cccn2)CC1 ZINC000218069335 395841225 /nfs/dbraw/zinc/84/12/25/395841225.db2.gz VAOCSFSUDQRGMW-VXGBXAGGSA-N -1 0 323.349 0.038 50 0 DCAARM CO[C@@H]1COCC[C@H]1NC(=O)c1[n-]c(=O)nc2ccccc21 ZINC000219115649 395844427 /nfs/dbraw/zinc/84/44/27/395844427.db2.gz IAJXTMSWFBOBMP-VXGBXAGGSA-N -1 0 303.318 0.457 50 0 DCAARM Cn1nnc([N-]S(=O)(=O)c2cccc(Br)c2)n1 ZINC000127691951 395916105 /nfs/dbraw/zinc/91/61/05/395916105.db2.gz SEDUVOWYRDTALB-UHFFFAOYSA-N -1 0 318.156 0.773 50 0 DCAARM NC(=O)COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000261723023 396059265 /nfs/dbraw/zinc/05/92/65/396059265.db2.gz QGOPJOVHANQVKM-LLVKDONJSA-N -1 0 306.318 0.488 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc21 ZINC000261829085 396070097 /nfs/dbraw/zinc/07/00/97/396070097.db2.gz OCXMEYULRZVSTQ-SNVBAGLBSA-N -1 0 303.318 0.803 50 0 DCAARM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)[S@](C)=O ZINC000169176083 396090347 /nfs/dbraw/zinc/09/03/47/396090347.db2.gz OSXNKHXKALDGIP-DCXZOGHSSA-N -1 0 305.377 0.430 50 0 DCAARM O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc2c(c1)CCO2 ZINC000170649763 396096823 /nfs/dbraw/zinc/09/68/23/396096823.db2.gz RMYDTDDUZNPZBA-UHFFFAOYSA-N -1 0 308.315 0.869 50 0 DCAARM O=C([O-])CC[C@@]1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O ZINC000071657830 396114546 /nfs/dbraw/zinc/11/45/46/396114546.db2.gz PCFRDNPDGMMGQK-AWEZNQCLSA-N -1 0 303.274 0.081 50 0 DCAARM CCCC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000262406547 396136679 /nfs/dbraw/zinc/13/66/79/396136679.db2.gz ARYJCMSPOUWRFY-VXGBXAGGSA-N -1 0 312.366 0.337 50 0 DCAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000262495313 396146838 /nfs/dbraw/zinc/14/68/38/396146838.db2.gz YZVMSVSMFMDBIO-SECBINFHSA-N -1 0 323.321 0.776 50 0 DCAARM Cc1n[nH]c(=O)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000262497973 396147872 /nfs/dbraw/zinc/14/78/72/396147872.db2.gz LQXHHUFZQSOKCC-GFCCVEGCSA-N -1 0 315.329 0.812 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000262906614 396191271 /nfs/dbraw/zinc/19/12/71/396191271.db2.gz CATZCXAFGUZPLN-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM COc1cccc(CO[C@@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262959641 396194779 /nfs/dbraw/zinc/19/47/79/396194779.db2.gz JYBPRMYVCHKBQK-FZMZJTMJSA-N -1 0 323.345 0.912 50 0 DCAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(N3CCC[C@H]3CO)ncn2)C1 ZINC000263287825 396212178 /nfs/dbraw/zinc/21/21/78/396212178.db2.gz YGNOZKWULSTJEH-UPJWGTAASA-N -1 0 320.393 0.985 50 0 DCAARM CN(CC(=O)Nc1cccc(CC(=O)[O-])c1)S(C)(=O)=O ZINC000263166122 396204305 /nfs/dbraw/zinc/20/43/05/396204305.db2.gz QDDIULDEIZWYHZ-UHFFFAOYSA-N -1 0 300.336 0.144 50 0 DCAARM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C1 ZINC000263347973 396215138 /nfs/dbraw/zinc/21/51/38/396215138.db2.gz PATNURHOJYTUIR-UTUOFQBUSA-N -1 0 311.382 0.750 50 0 DCAARM CN(C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cn1 ZINC000263511583 396219015 /nfs/dbraw/zinc/21/90/15/396219015.db2.gz XZGHIAPFZCQOER-NSHDSACASA-N -1 0 313.379 0.775 50 0 DCAARM CCC[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000585134004 396640871 /nfs/dbraw/zinc/64/08/71/396640871.db2.gz AKGWHTDTKQYVRN-SNVBAGLBSA-N -1 0 314.363 0.565 50 0 DCAARM COc1cccc([C@H](NC(=O)Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000630205876 396960529 /nfs/dbraw/zinc/96/05/29/396960529.db2.gz MFKJCLZUPJBPNS-AWEZNQCLSA-N -1 0 303.318 0.913 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccncc2Br)CCO1 ZINC000190976008 158564495 /nfs/dbraw/zinc/56/44/95/158564495.db2.gz RUHVIMUXFRDAGM-VIFPVBQESA-N -1 0 315.123 0.770 50 0 DCAARM CS(=O)(=O)C1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCC1 ZINC000262424190 158811573 /nfs/dbraw/zinc/81/15/73/158811573.db2.gz GUEIFLYTZQPUGW-JTQLQIEISA-N -1 0 319.379 0.046 50 0 DCAARM COc1ccc2c(c1)C[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])CO2 ZINC000262447720 158814942 /nfs/dbraw/zinc/81/49/42/158814942.db2.gz VMDARNKKRUDXMB-ZUZCIYMTSA-N -1 0 309.318 0.198 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CN2CSCC2=O)c2ccccc21 ZINC000131941345 196212840 /nfs/dbraw/zinc/21/28/40/196212840.db2.gz RCOQMSGZWHIFGQ-SNVBAGLBSA-N -1 0 306.343 0.734 50 0 DCAARM Cc1cc2c(c(C)c1)=NC(=O)C=2NNc1ccc(C(=O)[O-])cc1 ZINC000007168418 415136277 /nfs/dbraw/zinc/13/62/77/415136277.db2.gz QOBWUKNRFHJYCI-UHFFFAOYSA-N -1 0 309.325 0.886 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N[C@H](C)CC(=O)[O-])oc1C ZINC000270416602 415259415 /nfs/dbraw/zinc/25/94/15/415259415.db2.gz DLKMMZJSMYBXDQ-ZCFIWIBFSA-N -1 0 305.308 0.516 50 0 DCAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1 ZINC000095958485 415568975 /nfs/dbraw/zinc/56/89/75/415568975.db2.gz IUCOMACLTKZMJM-UHFFFAOYSA-N -1 0 305.323 0.197 50 0 DCAARM Cn1c([O-])c(C2=NN[C@@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000101761544 415594577 /nfs/dbraw/zinc/59/45/77/415594577.db2.gz SARDEPALBRFSEH-SNVBAGLBSA-N -1 0 300.318 0.228 50 0 DCAARM Cc1noc(-c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2)n1 ZINC000299753623 416063738 /nfs/dbraw/zinc/06/37/38/416063738.db2.gz YVHPCTCGPOFDPO-LBPRGKRZSA-N -1 0 317.301 0.971 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000299743149 416064586 /nfs/dbraw/zinc/06/45/86/416064586.db2.gz MCYIUIVDGBQAPY-LLVKDONJSA-N -1 0 312.366 0.337 50 0 DCAARM CC(C)(C)c1noc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000331108685 416266717 /nfs/dbraw/zinc/26/67/17/416266717.db2.gz HKUNBDAEIJCADY-VIFPVBQESA-N -1 0 311.338 0.612 50 0 DCAARM CCOc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000263399637 416337878 /nfs/dbraw/zinc/33/78/78/416337878.db2.gz FAWLAJQJWUNYIL-ZDUSSCGKSA-N -1 0 320.345 0.891 50 0 DCAARM Cc1sc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000408513519 417166015 /nfs/dbraw/zinc/16/60/15/417166015.db2.gz NJJOSLFWSJMNSR-SSDOTTSWSA-N -1 0 318.376 0.393 50 0 DCAARM O=C([O-])Cn1cc(NC(=O)CS(=O)(=O)C2CCCC2)cn1 ZINC000647745612 418049485 /nfs/dbraw/zinc/04/94/85/418049485.db2.gz KICQNDWFMGNAET-UHFFFAOYSA-N -1 0 315.351 0.264 50 0 DCAARM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663091318 417989063 /nfs/dbraw/zinc/98/90/63/417989063.db2.gz JZURLBVNPPCPIM-OLZOCXBDSA-N -1 0 320.345 0.924 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)COc2ccc(CC(N)=O)cc2)C1 ZINC000299744769 229384543 /nfs/dbraw/zinc/38/45/43/229384543.db2.gz PTYLTDMRPPRDJH-INIZCTEOSA-N -1 0 320.345 0.416 50 0 DCAARM COc1ccc(CNC(=O)[C@H]2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000299753463 229397472 /nfs/dbraw/zinc/39/74/72/229397472.db2.gz YHFUQAPOPAHWON-NSHDSACASA-N -1 0 320.345 0.878 50 0 DCAARM CC(C)C[C@H](CNC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000094702593 279158911 /nfs/dbraw/zinc/15/89/11/279158911.db2.gz GNRGRXQQNXJENC-MNOVXSKESA-N -1 0 320.411 0.274 50 0 DCAARM CN(C)S(=O)(=O)[C@@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000263414255 289265022 /nfs/dbraw/zinc/26/50/22/289265022.db2.gz NJTJDSZYVJIVEW-SECBINFHSA-N -1 0 314.367 0.035 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000153087247 289487023 /nfs/dbraw/zinc/48/70/23/289487023.db2.gz NMPDNHBEXOLZIG-AWEZNQCLSA-N -1 0 310.325 0.742 50 0 DCAARM CN1C(=O)C[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000299748224 289832200 /nfs/dbraw/zinc/83/22/00/289832200.db2.gz GMNNQWRLEYJHNO-WCQYABFASA-N -1 0 318.329 0.449 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000269181965 298205993 /nfs/dbraw/zinc/20/59/93/298205993.db2.gz LOIOKRQINSAYJI-SECBINFHSA-N -1 0 311.338 0.173 50 0 DCAARM Cc1c(F)cccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000275085522 300969243 /nfs/dbraw/zinc/96/92/43/300969243.db2.gz JKKVNOKOSBGULO-SNVBAGLBSA-N -1 0 303.311 0.608 50 0 DCAARM Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1[C@H](C(=O)[O-])C(C)C ZINC000048990267 302325016 /nfs/dbraw/zinc/32/50/16/302325016.db2.gz SOMLYCTWSFGHLT-QMMMGPOBSA-N -1 0 319.321 0.266 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc(-c2nnn(C)n2)cc1 ZINC000534590792 334294018 /nfs/dbraw/zinc/29/40/18/334294018.db2.gz ZSNMPZJMCPLURO-UHFFFAOYSA-N -1 0 319.321 0.050 50 0 DCAARM CCc1cc(N2CCN(C(=O)NC3(C(=O)[O-])CC3)CC2)ncn1 ZINC000534649972 334311290 /nfs/dbraw/zinc/31/12/90/334311290.db2.gz UZSFDNAZZAIIGM-UHFFFAOYSA-N -1 0 319.365 0.488 50 0 DCAARM CN(CC(=O)N1CCOCC1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000262295812 522445175 /nfs/dbraw/zinc/44/51/75/522445175.db2.gz MJDPQJSDWYWUMP-UHFFFAOYSA-N -1 0 306.318 0.316 50 0 DCAARM Cc1cnn(Cc2cc(C(=O)N(CC(=O)[O-])C3CC3)no2)c1 ZINC000190726620 526265015 /nfs/dbraw/zinc/26/50/15/526265015.db2.gz RDWZSPMWOIADAO-UHFFFAOYSA-N -1 0 304.306 0.917 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000238088289 526326191 /nfs/dbraw/zinc/32/61/91/526326191.db2.gz WBGCXHAIWLMGHK-JTQLQIEISA-N -1 0 301.302 0.330 50 0 DCAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000584908032 546302686 /nfs/dbraw/zinc/30/26/86/546302686.db2.gz PXTYVFOIZMNMDD-UONOGXRCSA-N -1 0 318.329 0.276 50 0 DCAARM CN1CCO[C@H]2CCN(C(=O)c3cccc(C(=O)[O-])c3)C[C@H]21 ZINC000888095930 661169942 /nfs/dbraw/zinc/16/99/42/661169942.db2.gz FKVJPOOJBPYVHF-KGLIPLIRSA-N -1 0 304.346 0.930 50 0 DCAARM Cc1nn(C)c(C)c1CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000320542936 662095526 /nfs/dbraw/zinc/09/55/26/662095526.db2.gz BWCKPVCFZQLQCB-ZDUSSCGKSA-N -1 0 319.365 0.505 50 0 DCAARM CN1N=C(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)CCC1=O ZINC000864174570 667222423 /nfs/dbraw/zinc/22/24/23/667222423.db2.gz GRYMLBPDJGAXKU-SCVCMEIPSA-N -1 0 307.350 0.696 50 0 DCAARM N=c1nn[n-]n1CC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000952981411 685600615 /nfs/dbraw/zinc/60/06/15/685600615.db2.gz ZASNIOCNSSJLNH-UHFFFAOYSA-N -1 0 315.381 0.842 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000072424504 685074745 /nfs/dbraw/zinc/07/47/45/685074745.db2.gz XPKXWNWZGLGDSO-LBPRGKRZSA-N -1 0 307.350 0.773 50 0 DCAARM O=C([O-])[C@@]1(CC2CC2)CN(c2ncnc3nc[nH]c32)CC[C@@H]1O ZINC001704339513 1179979315 /nfs/dbraw/zinc/97/93/15/1179979315.db2.gz KEPIRSTXQBPWMW-BONVTDFDSA-N -1 0 317.349 0.795 50 0 DCAARM Cc1cc2ncc(C(=O)NCCc3c(C)n[nH]c3C)c(=O)n2[n-]1 ZINC000825151490 758798265 /nfs/dbraw/zinc/79/82/65/758798265.db2.gz CJLUNJYSPNJGQK-UHFFFAOYSA-N -1 0 314.349 0.643 50 0 DCAARM CCCC(=O)[N-]S(=O)(=O)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000952847251 768911329 /nfs/dbraw/zinc/91/13/29/768911329.db2.gz JESVFIUXKOMUBQ-LLVKDONJSA-N -1 0 317.388 0.761 50 0 DCAARM CCOC(=O)c1[nH]c(C)nc1[N-]S(=O)(=O)C[C@H](C)OC ZINC000952881650 768948094 /nfs/dbraw/zinc/94/80/94/768948094.db2.gz BSUAVUYFHIRCMR-ZETCQYMHSA-N -1 0 305.356 0.671 50 0 DCAARM O=C(NC[C@@H]1CCCC[C@@H]1OCC(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000095400289 185354171 /nfs/dbraw/zinc/35/41/71/185354171.db2.gz RLSFGSOWFRWEDJ-YUMQZZPRSA-N -1 0 322.287 0.966 50 0 DCAARM Cn1cc(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)cn1 ZINC000095425118 185361596 /nfs/dbraw/zinc/36/15/96/185361596.db2.gz SOPDDXSCUZVLAS-UHFFFAOYSA-N -1 0 316.317 0.416 50 0 DCAARM C[C@@H](C(=O)[O-])N(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000269181970 295798442 /nfs/dbraw/zinc/79/84/42/295798442.db2.gz LOIOKRQINSAYJI-VIFPVBQESA-N -1 0 311.338 0.173 50 0 DCAARM Cc1nc(C(C)C)ncc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000071745879 191020056 /nfs/dbraw/zinc/02/00/56/191020056.db2.gz DKKRAZSJEYPJMR-UHFFFAOYSA-N -1 0 307.350 0.960 50 0 DCAARM O=C([O-])C[C@H]1COCCN1Cc1cnc(N2CCCC2)nc1 ZINC000072165937 191064471 /nfs/dbraw/zinc/06/44/71/191064471.db2.gz QQERTBSYZDUDSM-ZDUSSCGKSA-N -1 0 306.366 0.752 50 0 DCAARM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000237457618 186292060 /nfs/dbraw/zinc/29/20/60/186292060.db2.gz QMJLBAXVZNDAOS-CMPLNLGQSA-N -1 0 315.333 0.834 50 0 DCAARM Cc1c[nH]c(C(=O)N2CCC(C(=O)[O-])(n3ccnc3C)CC2)n1 ZINC000072436133 191165735 /nfs/dbraw/zinc/16/57/35/191165735.db2.gz IBFBIVFSHLAOQH-UHFFFAOYSA-N -1 0 317.349 0.939 50 0 DCAARM CCOC(=O)COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000004185439 181082957 /nfs/dbraw/zinc/08/29/57/181082957.db2.gz XTENFPBZKBCIGQ-UXBLZVDNSA-N -1 0 320.301 0.817 50 0 DCAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000004270300 181090212 /nfs/dbraw/zinc/09/02/12/181090212.db2.gz WKPLRQWEUTYARX-UHFFFAOYSA-N -1 0 311.319 0.593 50 0 DCAARM NC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000261785817 238166406 /nfs/dbraw/zinc/16/64/06/238166406.db2.gz XHLHBHPELCQKDL-GFCCVEGCSA-N -1 0 305.334 0.934 50 0 DCAARM Cc1nn(C)c2ncc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)cc12 ZINC000277267089 238328285 /nfs/dbraw/zinc/32/82/85/238328285.db2.gz OPVPYWLKMUHJBX-AWEZNQCLSA-N -1 0 320.374 0.967 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000238073869 304112347 /nfs/dbraw/zinc/11/23/47/304112347.db2.gz QXPMJPPLAQZIFC-GJZGRUSLSA-N -1 0 318.373 0.963 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)N2CCOCC2)C[C@H]1c1ccccn1 ZINC000091793181 193109590 /nfs/dbraw/zinc/10/95/90/193109590.db2.gz DMURDYOHNVYHAI-VXGBXAGGSA-N -1 0 305.334 0.634 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000299745487 304135198 /nfs/dbraw/zinc/13/51/98/304135198.db2.gz ZMUSAFBWUBPFCF-JQWIXIFHSA-N -1 0 310.350 0.090 50 0 DCAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000011691476 181699336 /nfs/dbraw/zinc/69/93/36/181699336.db2.gz IZEAOCKBKFHULV-SNVBAGLBSA-N -1 0 311.319 0.094 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000018006579 182089872 /nfs/dbraw/zinc/08/98/72/182089872.db2.gz GUTVTRKIDBAZQV-GHMZBOCLSA-N -1 0 301.302 0.294 50 0 DCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1nccnc1N ZINC000022186796 182311709 /nfs/dbraw/zinc/31/17/09/182311709.db2.gz WPBZLDXRBNWMJA-UHFFFAOYSA-N -1 0 316.346 0.629 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCO1 ZINC000262455763 304197528 /nfs/dbraw/zinc/19/75/28/304197528.db2.gz XCHGAALUHSVQIJ-CMPLNLGQSA-N -1 0 322.292 0.564 50 0 DCAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000040538650 183096329 /nfs/dbraw/zinc/09/63/29/183096329.db2.gz VNMZYSIGSUULHH-UHFFFAOYSA-N -1 0 313.335 0.909 50 0 DCAARM COc1cccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)[n-]c2=O)c1 ZINC000041606010 183209444 /nfs/dbraw/zinc/20/94/44/183209444.db2.gz JSQSHVXIKUDBNR-SSDOTTSWSA-N -1 0 322.346 0.998 50 0 DCAARM COc1ccc([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1OC ZINC000057842295 184056353 /nfs/dbraw/zinc/05/63/53/184056353.db2.gz LYYNZVKFLMNDBV-CQSZACIVSA-N -1 0 308.290 0.555 50 0 DCAARM COc1cc([C@@H]2CNC(=O)[C@@H]2C(=O)[O-])c(OC)c2c1OCO2 ZINC000066091320 184388695 /nfs/dbraw/zinc/38/86/95/184388695.db2.gz LWLGIQZIEVXYLB-IONNQARKSA-N -1 0 309.274 0.347 50 0 DCAARM O=C([O-])c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000020265803 304246886 /nfs/dbraw/zinc/24/68/86/304246886.db2.gz OCFUMPVNNJSMMF-AWEZNQCLSA-N -1 0 324.402 0.694 50 0 DCAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(C)(=O)=O ZINC000269134148 256624770 /nfs/dbraw/zinc/62/47/70/256624770.db2.gz CFWFGKVUIKXBOI-LLVKDONJSA-N -1 0 311.359 0.945 50 0 DCAARM CC1(C)CN(C(=O)Cn2[n-]nnc2=N)C[C@H]1c1ccccc1 ZINC000426595124 257246421 /nfs/dbraw/zinc/24/64/21/257246421.db2.gz YPNHZICNQRGJAI-LBPRGKRZSA-N -1 0 300.366 0.738 50 0 DCAARM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CCN(C)CC1 ZINC000426491074 257248164 /nfs/dbraw/zinc/24/81/64/257248164.db2.gz QBEXVIIKKWNRIU-ZDUSSCGKSA-N -1 0 311.426 0.916 50 0 DCAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000299749910 533284830 /nfs/dbraw/zinc/28/48/30/533284830.db2.gz LZZAASBPYJJHRU-BXUZGUMPSA-N -1 0 321.329 0.558 50 0 DCAARM COc1ccc(-c2cc(C(=O)[O-])n3nnnc3n2)c(OC)c1 ZINC000008278844 395684253 /nfs/dbraw/zinc/68/42/53/395684253.db2.gz IJMXRHHPRIARIX-UHFFFAOYSA-N -1 0 301.262 0.902 50 0 DCAARM CC(=O)N[C@H](CSc1nc(Cl)nc2[nH]cnc21)C(=O)[O-] ZINC000013569193 395688677 /nfs/dbraw/zinc/68/86/77/395688677.db2.gz AJTHHITYMWBJEB-RXMQYKEDSA-N -1 0 315.742 0.688 50 0 DCAARM C[C@H](O)C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000167914 395679886 /nfs/dbraw/zinc/67/98/86/395679886.db2.gz QRZCGRVTJFRTNR-LURJTMIESA-N -1 0 308.153 0.635 50 0 DCAARM Cc1ccc2nc(NC3=N[C@H](CC(=O)[O-])C(=O)N3)nc(C)c2c1 ZINC000000198997 395680118 /nfs/dbraw/zinc/68/01/18/395680118.db2.gz OHBOLJGIJSNQJX-LLVKDONJSA-N -1 0 313.317 0.988 50 0 biogenic DCAARM Cc1ccc(C)c(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1 ZINC000002634449 395681663 /nfs/dbraw/zinc/68/16/63/395681663.db2.gz BCXWYNWLIBJFMK-SNVBAGLBSA-N -1 0 314.363 0.300 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(F)ccc3[O-])cnc21 ZINC000002652837 395681666 /nfs/dbraw/zinc/68/16/66/395681666.db2.gz SORLXCOSUAGYIP-UHFFFAOYSA-N -1 0 315.260 0.698 50 0 DCAARM CCn1cc(S(=O)(=O)[N-]c2cncc(C(=O)OC)c2)cn1 ZINC000089309920 395710194 /nfs/dbraw/zinc/71/01/94/395710194.db2.gz UELSJNQHCBKKJX-UHFFFAOYSA-N -1 0 310.335 0.885 50 0 DCAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000037589992 395728016 /nfs/dbraw/zinc/72/80/16/395728016.db2.gz VMVXXDFBJWDKDW-GHMZBOCLSA-N -1 0 300.355 0.193 50 0 DCAARM CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2[nH]cnc2C(=O)[O-])C1 ZINC000215332952 395836835 /nfs/dbraw/zinc/83/68/35/395836835.db2.gz OIDVDMYRGCVONB-SNVBAGLBSA-N -1 0 322.365 0.829 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 ZINC000238128039 395922244 /nfs/dbraw/zinc/92/22/44/395922244.db2.gz KTBUSYBITHIYHO-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000248097743 395982345 /nfs/dbraw/zinc/98/23/45/395982345.db2.gz DGFOHDWRHIYFNI-JLLWLGSASA-N -1 0 313.379 0.827 50 0 DCAARM Cc1ccc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)nn1 ZINC000067974703 396041472 /nfs/dbraw/zinc/04/14/72/396041472.db2.gz NFAMKMJKGMJRPZ-LLVKDONJSA-N -1 0 302.338 0.991 50 0 DCAARM Cc1nc(/C=C/C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cs1 ZINC000158081370 396064539 /nfs/dbraw/zinc/06/45/39/396064539.db2.gz SUWHCZCZNPOZMO-VMZHVLLKSA-N -1 0 316.404 0.947 50 0 DCAARM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)[S@@](C)=O ZINC000169176327 396090192 /nfs/dbraw/zinc/09/01/92/396090192.db2.gz OSXNKHXKALDGIP-CVJBHZAOSA-N -1 0 305.377 0.430 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 ZINC000262102171 396098847 /nfs/dbraw/zinc/09/88/47/396098847.db2.gz NARIIJDIIVTLPO-LLVKDONJSA-N -1 0 307.302 0.660 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000071284642 396112054 /nfs/dbraw/zinc/11/20/54/396112054.db2.gz IDVWKUUHLDAKLU-UWVGGRQHSA-N -1 0 312.347 0.629 50 0 DCAARM COc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1-n1cnnn1 ZINC000262262318 396115838 /nfs/dbraw/zinc/11/58/38/396115838.db2.gz SJNWHJCTWCVYFV-UHFFFAOYSA-N -1 0 303.278 0.474 50 0 DCAARM Cn1ccnc1[C@H]1[C@H](C(=O)[O-])CC(=O)N1CCCn1cccn1 ZINC000072275740 396128678 /nfs/dbraw/zinc/12/86/78/396128678.db2.gz ZZRASOBNFDRGSJ-DGCLKSJQSA-N -1 0 317.349 0.681 50 0 DCAARM Cc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)o1 ZINC000072275686 396128993 /nfs/dbraw/zinc/12/89/93/396128993.db2.gz PMRFGSZHFGWGPE-IUODEOHRSA-N -1 0 322.361 0.894 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)n[n-]1 ZINC000069513151 396081035 /nfs/dbraw/zinc/08/10/35/396081035.db2.gz UGLQUNRRGYXODT-NXEZZACHSA-N -1 0 306.347 0.950 50 0 DCAARM COc1cccc(CCC(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000069533871 396082011 /nfs/dbraw/zinc/08/20/11/396082011.db2.gz IUDJUPYYEVUOMX-UHFFFAOYSA-N -1 0 324.362 0.788 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2cccc3c2OCO3)C[C@H]1C(=O)[O-] ZINC000263189073 396205208 /nfs/dbraw/zinc/20/52/08/396205208.db2.gz VJJQKPVXVZDZHC-RKDXNWHRSA-N -1 0 313.331 0.757 50 0 DCAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000262471137 396144519 /nfs/dbraw/zinc/14/45/19/396144519.db2.gz ZYGHWDADYFTEOF-UONOGXRCSA-N -1 0 305.330 0.919 50 0 DCAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]Cc3ccco3)nc2n1 ZINC000075283498 396178819 /nfs/dbraw/zinc/17/88/19/396178819.db2.gz OLQVWNREXSFQPS-UHFFFAOYSA-N -1 0 307.335 0.813 50 0 DCAARM CCCC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000263050928 396199224 /nfs/dbraw/zinc/19/92/24/396199224.db2.gz WWOLDSZPMHVWDT-VXGBXAGGSA-N -1 0 312.366 0.337 50 0 DCAARM Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)[O-])CC2)c1 ZINC000193121430 396444171 /nfs/dbraw/zinc/44/41/71/396444171.db2.gz UURXBHYBVUSSPG-UHFFFAOYSA-N -1 0 319.405 0.656 50 0 DCAARM Cn1cc([C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299800406 396714472 /nfs/dbraw/zinc/71/44/72/396714472.db2.gz SEQVCQKFWMXLPE-NWDGAFQWSA-N -1 0 304.350 0.798 50 0 DCAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)nc2OC)C1 ZINC000263096346 158856129 /nfs/dbraw/zinc/85/61/29/158856129.db2.gz TUQICRCAXSQAJM-HNNXBMFYSA-N -1 0 308.334 0.962 50 0 DCAARM CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000003394204 415130260 /nfs/dbraw/zinc/13/02/60/415130260.db2.gz LPWUQSGBMUBVDX-UHFFFAOYSA-N -1 0 314.363 0.472 50 0 DCAARM CNC(=O)NC(=O)[C@H](C)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000007784970 415140567 /nfs/dbraw/zinc/14/05/67/415140567.db2.gz LFQNHNZDUZPMHD-ZETCQYMHSA-N -1 0 318.289 0.111 50 0 DCAARM Cn1cnnc1SCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000007786610 415141600 /nfs/dbraw/zinc/14/16/00/415141600.db2.gz IGUHZGFALXMFMP-NSHDSACASA-N -1 0 320.374 0.719 50 0 DCAARM CN(Cc1cc(Cl)cn1C)C(=O)c1cnc([O-])n(C)c1=O ZINC000268180421 415173132 /nfs/dbraw/zinc/17/31/32/415173132.db2.gz LKSFDGGNDCNBOQ-UHFFFAOYSA-N -1 0 310.741 0.750 50 0 DCAARM C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1[n-]c(=O)ccc1=O ZINC000048290496 415288118 /nfs/dbraw/zinc/28/81/18/415288118.db2.gz JFJKNMAURPPISR-RYUDHWBXSA-N -1 0 309.366 0.660 50 0 DCAARM Cn1c(CO)nnc1C1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000095371962 415553827 /nfs/dbraw/zinc/55/38/27/415553827.db2.gz HKQZRAFYUDRRNO-UHFFFAOYSA-N -1 0 318.337 0.180 50 0 DCAARM Cn1c([O-])c(C2=NN[C@H](c3ccccc3)C2)c(=O)n(C)c1=O ZINC000101761541 415595067 /nfs/dbraw/zinc/59/50/67/415595067.db2.gz SARDEPALBRFSEH-JTQLQIEISA-N -1 0 300.318 0.228 50 0 DCAARM CC(C)(NC(=O)c1cnc(-c2ncccn2)s1)c1nnn[n-]1 ZINC000354790912 415820794 /nfs/dbraw/zinc/82/07/94/415820794.db2.gz UYCHNOPULGNLHX-UHFFFAOYSA-N -1 0 316.350 0.778 50 0 DCAARM COCCN1C(=O)C[C@](CC(=O)[O-])(c2cccc(OC)c2)C1=O ZINC000299758796 416063677 /nfs/dbraw/zinc/06/36/77/416063677.db2.gz LWFRRHCBOBJKGI-INIZCTEOSA-N -1 0 321.329 0.813 50 0 DCAARM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]O[C@H]1CCCCO1 ZINC000241287457 416329924 /nfs/dbraw/zinc/32/99/24/416329924.db2.gz LLKMIGZKFYRLSD-LOWVWBTDSA-N -1 0 310.350 0.736 50 0 DCAARM O=C([O-])Cn1cc(NC(=O)Cc2ccc3c(c2)OCCO3)cn1 ZINC000647746804 418048935 /nfs/dbraw/zinc/04/89/35/418048935.db2.gz LTNDILOXYPEUTN-UHFFFAOYSA-N -1 0 317.301 0.920 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)CCc2ccc3c(c2)OCCO3)CCO1 ZINC000299745803 229387722 /nfs/dbraw/zinc/38/77/22/229387722.db2.gz SNJISGBENOEBNL-CQSZACIVSA-N -1 0 321.329 0.702 50 0 DCAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2COCCO2)C(=O)[O-])c1 ZINC000299751779 229395671 /nfs/dbraw/zinc/39/56/71/229395671.db2.gz RRJFCBTWBSUWAJ-ZIAGYGMSSA-N -1 0 307.346 0.770 50 0 DCAARM CCn1cc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)cn1 ZINC000299785920 229439332 /nfs/dbraw/zinc/43/93/32/229439332.db2.gz LAXIJTSNLAXIFS-GXSJLCMTSA-N -1 0 318.337 0.352 50 0 DCAARM CC(C)[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)[O-] ZINC000269089410 280293334 /nfs/dbraw/zinc/29/33/34/280293334.db2.gz QOYPHUNAWWLSSS-JTQLQIEISA-N -1 0 313.354 0.322 50 0 DCAARM Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])cn1 ZINC000095366063 332169464 /nfs/dbraw/zinc/16/94/64/332169464.db2.gz UEDAKNGTIZKLBB-GFCCVEGCSA-N -1 0 317.345 0.586 50 0 DCAARM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1CSC(C)(C)C(=O)N1 ZINC000534587184 334292412 /nfs/dbraw/zinc/29/24/12/334292412.db2.gz AHHVMAQNWFJCJV-SECBINFHSA-N -1 0 302.396 0.566 50 0 DCAARM Cc1csc(CNS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000038090825 337372363 /nfs/dbraw/zinc/37/23/63/337372363.db2.gz IIFUTBAUSAGEIB-SECBINFHSA-N -1 0 319.408 0.583 50 0 DCAARM NC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000299744700 534378725 /nfs/dbraw/zinc/37/87/25/534378725.db2.gz UJKTZYLYXSWWGA-OLZOCXBDSA-N -1 0 319.361 0.589 50 0 DCAARM O=C([O-])CN(Cc1ccccc1)C(=O)CN1CSCC1=O ZINC000268884423 534500096 /nfs/dbraw/zinc/50/00/96/534500096.db2.gz DBDFLLYTMXWQBI-UHFFFAOYSA-N -1 0 308.359 0.633 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000262413458 526332681 /nfs/dbraw/zinc/33/26/81/526332681.db2.gz BPFQBDOUFYAMAV-SNVBAGLBSA-N -1 0 321.289 0.574 50 0 DCAARM Cc1noc(C)c1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262229173 526467351 /nfs/dbraw/zinc/46/73/51/526467351.db2.gz SCVBZOWSBQBMSU-LLVKDONJSA-N -1 0 323.349 0.687 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000299749509 526679941 /nfs/dbraw/zinc/67/99/41/526679941.db2.gz KNPLQUZYEHCHIW-NEPJUHHUSA-N -1 0 308.359 0.850 50 0 DCAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)S(C)(=O)=O ZINC000262981896 545985955 /nfs/dbraw/zinc/98/59/55/545985955.db2.gz NDKNEWABEYRBDD-SECBINFHSA-N -1 0 315.347 0.830 50 0 DCAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262831910 545986082 /nfs/dbraw/zinc/98/60/82/545986082.db2.gz SBLKVUCGTSXUMD-SKDRFNHKSA-N -1 0 309.366 0.843 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cnccc2C)C1 ZINC000685941235 548746899 /nfs/dbraw/zinc/74/68/99/548746899.db2.gz VMTUBAZTDOCPAW-JQWIXIFHSA-N -1 0 305.334 0.441 50 0 DCAARM O=C([O-])[C@]1(F)CN(C(=O)C[C@H]2CCCCO2)CC12COC2 ZINC000888098280 661176725 /nfs/dbraw/zinc/17/67/25/661176725.db2.gz DYKHKWAPYVDJCL-QMTHXVAHSA-N -1 0 301.314 0.597 50 0 DCAARM C[C@@H](NC(=O)Cc1n[nH]c(=O)[n-]1)c1nc(-c2cccnc2)no1 ZINC000426538103 661608185 /nfs/dbraw/zinc/60/81/85/661608185.db2.gz NIZGYWVVTRMNDB-SSDOTTSWSA-N -1 0 315.293 0.375 50 0 DCAARM N=c1nn[n-]n1CC(=O)NCCCN1CCCc2ccccc21 ZINC000952986007 685601856 /nfs/dbraw/zinc/60/18/56/685601856.db2.gz VXADCXBWXFIHAX-UHFFFAOYSA-N -1 0 315.381 0.045 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[C@@H]1O ZINC001704298426 1179965256 /nfs/dbraw/zinc/96/52/56/1179965256.db2.gz JPJPTJXJEHKHKT-QWRGUYRKSA-N -1 0 321.301 0.421 50 0 DCAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1O ZINC001704303872 1179966722 /nfs/dbraw/zinc/96/67/22/1179966722.db2.gz KLOYVAZQKMYRKM-WDEREUQCSA-N -1 0 319.766 0.796 50 0 DCAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)Cc1ccc(O)c(F)c1 ZINC000095498691 185374483 /nfs/dbraw/zinc/37/44/83/185374483.db2.gz HEFMSGZIENBJFG-GFCCVEGCSA-N -1 0 319.292 0.835 50 0 DCAARM CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000087492516 185226438 /nfs/dbraw/zinc/22/64/38/185226438.db2.gz IXVSFQIZBUBJFJ-LLVKDONJSA-N -1 0 314.363 0.421 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000088373584 185247296 /nfs/dbraw/zinc/24/72/96/185247296.db2.gz GGQKMJLWOLWWGD-SECBINFHSA-N -1 0 313.693 0.994 50 0 DCAARM COCCOc1ccc(S(=O)(=O)[N-]c2nnc(C)[nH]2)cc1 ZINC000072301875 191115781 /nfs/dbraw/zinc/11/57/81/191115781.db2.gz AKLNWTMBCILGJF-UHFFFAOYSA-N -1 0 312.351 0.939 50 0 DCAARM Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000001782155 180895683 /nfs/dbraw/zinc/89/56/83/180895683.db2.gz LVWZTYCIRDMTEY-UHFFFAOYSA-N -1 0 311.363 0.766 50 0 world DCAARM CC(C)(C)C(=O)NC(=O)C[C@H](NC(=O)C(C)(C)C)C(=O)[O-] ZINC000003882973 181052349 /nfs/dbraw/zinc/05/23/49/181052349.db2.gz AAPZCKKQRNKCKE-QMMMGPOBSA-N -1 0 300.355 0.681 50 0 biogenic DCAARM O=C([O-])[C@H](CC(=O)NCc1ccco1)[NH2+]Cc1cccnc1 ZINC000004116957 181075231 /nfs/dbraw/zinc/07/52/31/181075231.db2.gz YHDFOYHIYSZPLK-ZDUSSCGKSA-N -1 0 303.318 0.924 50 0 DCAARM Cn1cnnc1SCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000004321518 181097390 /nfs/dbraw/zinc/09/73/90/181097390.db2.gz MIOVWGDQZMJXBD-UHFFFAOYSA-N -1 0 313.364 0.630 50 0 DCAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000299741599 304061967 /nfs/dbraw/zinc/06/19/67/304061967.db2.gz GSOKEDMWGFHSTN-SNVBAGLBSA-N -1 0 309.322 0.195 50 0 DCAARM Cn1nnnc1SCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000005887316 181293027 /nfs/dbraw/zinc/29/30/27/181293027.db2.gz CIFRQKSTRIRIDE-UHFFFAOYSA-N -1 0 307.335 0.317 50 0 DCAARM CCCN1C(=O)CC[C@H]2CN(C(=O)c3cc(=O)[nH][n-]3)CC[C@H]21 ZINC000072431924 283313063 /nfs/dbraw/zinc/31/30/63/283313063.db2.gz VTOPKSVRKDLQFG-CMPLNLGQSA-N -1 0 306.366 0.978 50 0 DCAARM CCC[C@@H](NC(=O)c1cnn2cc(CCO)cnc12)C(=O)[O-] ZINC000426652789 240353599 /nfs/dbraw/zinc/35/35/99/240353599.db2.gz BJIAFIDSOQVADB-LLVKDONJSA-N -1 0 306.322 0.247 50 0 DCAARM C[C@H](NC(=O)[C@H]1CCN(c2cc(F)cc(F)c2)C1=O)C(=O)[O-] ZINC000237542492 202276290 /nfs/dbraw/zinc/27/62/90/202276290.db2.gz YYBCKEGMIRULQZ-WRWORJQWSA-N -1 0 312.272 0.907 50 0 DCAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1COCCO1 ZINC000268906116 238252183 /nfs/dbraw/zinc/25/21/83/238252183.db2.gz YOCVTVCQUXDHDL-KGLIPLIRSA-N -1 0 318.329 0.695 50 0 DCAARM CCN1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000194926110 201311867 /nfs/dbraw/zinc/31/18/67/201311867.db2.gz ZVOPNXASDGERML-KBPBESRZSA-N -1 0 306.362 0.519 50 0 DCAARM CC(=O)N[C@H](CCCSc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000006692574 181371043 /nfs/dbraw/zinc/37/10/43/181371043.db2.gz LYCDMFSYQJBFFK-MRVPVSSYSA-N -1 0 309.351 0.815 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000299742812 304120574 /nfs/dbraw/zinc/12/05/74/304120574.db2.gz KOTCAXLAFICSEC-SNVBAGLBSA-N -1 0 303.380 0.667 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000091519239 193068442 /nfs/dbraw/zinc/06/84/42/193068442.db2.gz YFADJYVQTVOSNJ-OAHLLOKOSA-N -1 0 308.334 0.718 50 0 DCAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2nccn2)C1 ZINC000091691700 193092542 /nfs/dbraw/zinc/09/25/42/193092542.db2.gz HVQRUTCRBSJWMH-AWEZNQCLSA-N -1 0 310.354 0.398 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000262436406 304134713 /nfs/dbraw/zinc/13/47/13/304134713.db2.gz FNDGTKCEQYLVFZ-ZDUSSCGKSA-N -1 0 316.313 0.314 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299753743 304134882 /nfs/dbraw/zinc/13/48/82/304134882.db2.gz ZEIQJTFNTKLCDR-ONGXEEELSA-N -1 0 309.343 0.852 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000268979519 304136036 /nfs/dbraw/zinc/13/60/36/304136036.db2.gz MNEQZNYNRJREFC-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000008939773 181592201 /nfs/dbraw/zinc/59/22/01/181592201.db2.gz NGFNQJSTFVSYTG-JTQLQIEISA-N -1 0 319.766 0.958 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000002577174 304171809 /nfs/dbraw/zinc/17/18/09/304171809.db2.gz MMZUYMRACDCOMP-FVQWSSJJSA-N -1 0 301.302 0.213 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000018202673 182098062 /nfs/dbraw/zinc/09/80/62/182098062.db2.gz QQXQXQPYWRSPSW-MNOVXSKESA-N -1 0 301.302 0.375 50 0 DCAARM CC1(C)[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@@H]1C(=O)[O-] ZINC000034926437 182744541 /nfs/dbraw/zinc/74/45/41/182744541.db2.gz KBGMSXKDTQTSFZ-NWDGAFQWSA-N -1 0 320.345 0.921 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)CCn1ccc2ccc(F)cc21 ZINC000040287791 183052260 /nfs/dbraw/zinc/05/22/60/183052260.db2.gz FVTIABPUBNWNKS-UHFFFAOYSA-N -1 0 321.308 0.488 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 ZINC000043702078 183381807 /nfs/dbraw/zinc/38/18/07/183381807.db2.gz JJPGCCYVMPXLKN-LLVKDONJSA-N -1 0 301.245 0.656 50 0 DCAARM NS(=O)(=O)c1cccc(NC(=O)NCCCC(=O)[O-])c1 ZINC000040544315 257240183 /nfs/dbraw/zinc/24/01/83/257240183.db2.gz SBMGERCJHQINGD-UHFFFAOYSA-N -1 0 301.324 0.320 50 0 DCAARM CCC[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000036837064 257240483 /nfs/dbraw/zinc/24/04/83/257240483.db2.gz VQQUVFXIDAQGBR-NXEZZACHSA-N -1 0 306.384 0.170 50 0 DCAARM CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1 ZINC000315902233 257242170 /nfs/dbraw/zinc/24/21/70/257242170.db2.gz DCOFKQFPOLVLRS-HNNXBMFYSA-N -1 0 311.382 0.846 50 0 DCAARM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000268945578 533413298 /nfs/dbraw/zinc/41/32/98/533413298.db2.gz MISBWBUTIFWRCG-SSDOTTSWSA-N -1 0 318.376 0.210 50 0 DCAARM COc1cccc(OC)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299742346 533623884 /nfs/dbraw/zinc/62/38/84/533623884.db2.gz HEOSRPOLMGXSBO-ZDUSSCGKSA-N -1 0 309.318 0.558 50 0 DCAARM CCCn1c([O-])c([C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000008972322 395685100 /nfs/dbraw/zinc/68/51/00/395685100.db2.gz JIABVBXGCMGDEG-LLVKDONJSA-N -1 0 302.286 0.912 50 0 DCAARM CS(=O)(=O)[N-]c1nc(CC(=O)NC[C@@H]2CCCO2)cs1 ZINC000012324118 395687424 /nfs/dbraw/zinc/68/74/24/395687424.db2.gz DSJWXPZSYQYMHL-VIFPVBQESA-N -1 0 319.408 0.352 50 0 DCAARM Cc1nnc(SCc2nnnn2-c2ccc(F)cc2)[n-]c1=O ZINC000013552172 395688701 /nfs/dbraw/zinc/68/87/01/395688701.db2.gz CYLVIRVOQWQABM-UHFFFAOYSA-N -1 0 319.325 0.880 50 0 DCAARM Cc1n[n-]c(NNS(=O)(=O)c2ccc(Cl)cc2)nc1=O ZINC000013683298 395688783 /nfs/dbraw/zinc/68/87/83/395688783.db2.gz WYZRZYWWYZTXPS-UHFFFAOYSA-N -1 0 315.742 0.432 50 0 DCAARM CN1C(=O)[N-]C(=O)C(=CNC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)C1=O ZINC000019535464 395691026 /nfs/dbraw/zinc/69/10/26/395691026.db2.gz HNZXOGMTIJYWCC-BOAABQKHSA-N -1 0 323.393 0.745 50 0 DCAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000103077 395679872 /nfs/dbraw/zinc/67/98/72/395679872.db2.gz VWDUAIVTBAQGNF-AATRIKPKSA-N -1 0 307.258 0.839 50 0 DCAARM O=C1C[C@H](c2ccccc2)CN1Cc1n[n-]c(=N[N+](=O)[O-])[nH]1 ZINC000000333406 395680165 /nfs/dbraw/zinc/68/01/65/395680165.db2.gz ZBIIZGLJBRDXNQ-JTQLQIEISA-N -1 0 302.294 0.924 50 0 DCAARM CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)[O-])ccc21 ZINC000002928298 395682072 /nfs/dbraw/zinc/68/20/72/395682072.db2.gz AUTZTZHBEWMTCY-UHFFFAOYSA-N -1 0 312.347 0.349 50 0 DCAARM NS(=O)(=O)c1ccc(N2CCSCC2)c(C(=O)[O-])c1 ZINC000036893427 395724893 /nfs/dbraw/zinc/72/48/93/395724893.db2.gz ZGDRYAFOWXTFHN-UHFFFAOYSA-N -1 0 302.377 0.585 50 0 DCAARM COc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1OC ZINC000033073999 395716100 /nfs/dbraw/zinc/71/61/00/395716100.db2.gz OIKWHMZIONKAHT-UHFFFAOYSA-N -1 0 310.335 0.877 50 0 DCAARM COCCN1C[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1=O ZINC000033449898 395716949 /nfs/dbraw/zinc/71/69/49/395716949.db2.gz HFAOQWIGEVTKAR-GHMZBOCLSA-N -1 0 300.355 0.097 50 0 DCAARM COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)CC(=O)[O-] ZINC000036969705 395725250 /nfs/dbraw/zinc/72/52/50/395725250.db2.gz LWCOEWDZPOKSBW-UHFFFAOYSA-N -1 0 305.308 0.388 50 0 DCAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1C1(Cn2cccn2)CC1 ZINC000097499638 395758704 /nfs/dbraw/zinc/75/87/04/395758704.db2.gz QYABGAKYJXWLNK-LLVKDONJSA-N -1 0 317.349 0.795 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100510419 395763243 /nfs/dbraw/zinc/76/32/43/395763243.db2.gz DUSKOZOKHATRJQ-UWVGGRQHSA-N -1 0 321.720 0.720 50 0 DCAARM COc1ccc(NC(C)=C2C(=O)[N-]C(=O)NC2=O)c(OC)c1 ZINC000101067765 395764220 /nfs/dbraw/zinc/76/42/20/395764220.db2.gz MHUHMAZBQJOBAH-UHFFFAOYSA-N -1 0 305.290 0.756 50 0 DCAARM C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000051658885 395853007 /nfs/dbraw/zinc/85/30/07/395853007.db2.gz NMMLFPDQJLFHOZ-SNVBAGLBSA-N -1 0 316.354 0.605 50 0 DCAARM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCC1)N(C)CC(F)(F)F ZINC000225603613 395862534 /nfs/dbraw/zinc/86/25/34/395862534.db2.gz SGTZPTDRYGSKGJ-ZETCQYMHSA-N -1 0 302.318 0.868 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 ZINC000262102172 396098824 /nfs/dbraw/zinc/09/88/24/396098824.db2.gz NARIIJDIIVTLPO-NSHDSACASA-N -1 0 307.302 0.660 50 0 DCAARM Cn1nc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000263225936 396206661 /nfs/dbraw/zinc/20/66/61/396206661.db2.gz PZNLMEGUZMPKDC-CYBMUJFWSA-N -1 0 303.318 0.428 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000263281021 396211303 /nfs/dbraw/zinc/21/13/03/396211303.db2.gz JSBMNUVEYZXYOE-ZDUSSCGKSA-N -1 0 316.317 0.583 50 0 DCAARM CCO[C@H]1C[C@@](NC(=O)c2cccc(=O)n2C)(C(=O)[O-])C1(C)C ZINC000262808128 396183572 /nfs/dbraw/zinc/18/35/72/396183572.db2.gz NTCBXWZBKRNULP-MEDUHNTESA-N -1 0 322.361 0.774 50 0 DCAARM CCN(C(=O)CCc1cc(=O)[n-]o1)[C@@H]1CCS(=O)(=O)C1 ZINC000077538797 396225646 /nfs/dbraw/zinc/22/56/46/396225646.db2.gz HZTVVZBKLMDOBB-SECBINFHSA-N -1 0 302.352 0.348 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCCO3)CCO1 ZINC000492177912 397515720 /nfs/dbraw/zinc/51/57/20/397515720.db2.gz BGNMVLOAYDWQDE-XBPVQUQDSA-N -1 0 319.313 0.783 50 0 DCAARM CCOC(=O)c1c[nH]nc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020616490 285971363 /nfs/dbraw/zinc/97/13/63/285971363.db2.gz COZSAELZOSDMFE-UHFFFAOYSA-N -1 0 307.266 0.270 50 0 DCAARM CCO[C@@H]1C[C@@](NC(=O)c2cccc(=O)n2C)(C(=O)[O-])C1(C)C ZINC000262808126 158842782 /nfs/dbraw/zinc/84/27/82/158842782.db2.gz NTCBXWZBKRNULP-BDJLRTHQSA-N -1 0 322.361 0.774 50 0 DCAARM Cc1ncsc1CCS(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263202973 158861947 /nfs/dbraw/zinc/86/19/47/158861947.db2.gz XQYCFANGCANUEG-PSASIEDQSA-N -1 0 318.420 0.976 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000269002580 415249108 /nfs/dbraw/zinc/24/91/08/415249108.db2.gz ZQXVLVGELFRBKX-ZDUSSCGKSA-N -1 0 318.329 0.739 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000269166973 415249977 /nfs/dbraw/zinc/24/99/77/415249977.db2.gz FUKLPQURDNHQBM-LLVKDONJSA-N -1 0 303.318 0.763 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 ZINC000062913614 415344604 /nfs/dbraw/zinc/34/46/04/415344604.db2.gz ANCKDWVQDFBFKI-ZWNOBZJWSA-N -1 0 318.395 0.124 50 0 DCAARM NS(=O)(=O)c1cccc(NC(=O)NCCCCC(=O)[O-])c1 ZINC000070200170 415404340 /nfs/dbraw/zinc/40/43/40/415404340.db2.gz IXFXCCFSAIHAHX-UHFFFAOYSA-N -1 0 315.351 0.710 50 0 DCAARM CN1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1C(=O)[O-] ZINC000067674348 415379075 /nfs/dbraw/zinc/37/90/75/415379075.db2.gz ZUCACOVUQZDURE-SSDOTTSWSA-N -1 0 306.244 0.269 50 0 DCAARM Cc1nc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n(C)n1 ZINC000095352043 415548620 /nfs/dbraw/zinc/54/86/20/415548620.db2.gz HUKHMYRANYLONE-NSHDSACASA-N -1 0 321.381 0.021 50 0 DCAARM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]O[C@@H]1CCCCO1 ZINC000102097598 415597204 /nfs/dbraw/zinc/59/72/04/415597204.db2.gz LLKMIGZKFYRLSD-NTZNESFSSA-N -1 0 310.350 0.736 50 0 DCAARM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H]1C ZINC000108455495 415677316 /nfs/dbraw/zinc/67/73/16/415677316.db2.gz NHELRXVCDFDFDQ-UTLUCORTSA-N -1 0 323.349 0.161 50 0 DCAARM O=C([O-])[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000237945651 416329084 /nfs/dbraw/zinc/32/90/84/416329084.db2.gz VTNSLJHFCXXXSE-CYBMUJFWSA-N -1 0 306.362 0.978 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000583650651 416479695 /nfs/dbraw/zinc/47/96/95/416479695.db2.gz YVYQZVNGDUAMAI-AWEZNQCLSA-N -1 0 320.345 0.524 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CCCO)on1 ZINC000585115497 416518958 /nfs/dbraw/zinc/51/89/58/416518958.db2.gz DHWVIMPAJBDRSV-UHFFFAOYSA-N -1 0 320.367 0.538 50 0 DCAARM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)CC1=CCCCC1 ZINC000643432949 417208672 /nfs/dbraw/zinc/20/86/72/417208672.db2.gz IVHPJDBGRAUTEC-LLVKDONJSA-N -1 0 301.364 0.587 50 0 DCAARM Cn1cc(-c2ncc(C(=O)N3CCOC[C@H]3C(=O)[O-])s2)cn1 ZINC000299748853 229390606 /nfs/dbraw/zinc/39/06/06/229390606.db2.gz ILOMMMDMQILIAY-VIFPVBQESA-N -1 0 322.346 0.469 50 0 DCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCCn1cnnn1 ZINC000299760855 229406445 /nfs/dbraw/zinc/40/64/45/229406445.db2.gz XVRFNIIGDCTGIA-ZDUSSCGKSA-N -1 0 315.333 0.491 50 0 DCAARM COc1cc(C)ccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299744905 533686662 /nfs/dbraw/zinc/68/66/62/533686662.db2.gz VJNPGPBXQQWLQR-LLVKDONJSA-N -1 0 309.318 0.694 50 0 DCAARM COCc1nc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cs1 ZINC000263286478 293328691 /nfs/dbraw/zinc/32/86/91/293328691.db2.gz KPLQNQIHSGDIFW-QMMMGPOBSA-N -1 0 300.336 0.605 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000013196593 297063657 /nfs/dbraw/zinc/06/36/57/297063657.db2.gz XYIFMABRTZDEHM-RKDXNWHRSA-N -1 0 315.347 0.888 50 0 DCAARM C[C@@]1(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)CCCO1 ZINC000072427285 297856630 /nfs/dbraw/zinc/85/66/30/297856630.db2.gz AYGNTFCBKCOXAE-AWEZNQCLSA-N -1 0 307.350 0.855 50 0 DCAARM C[C@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000252708547 298110120 /nfs/dbraw/zinc/11/01/20/298110120.db2.gz AJQGRDHTFJBFFY-DBIOUOCHSA-N -1 0 303.380 0.664 50 0 DCAARM Cc1nn(C)c2ncc(C(=O)[O-])c(N3CC[C@H](CO)[C@@H](O)C3)c12 ZINC000072120747 302791647 /nfs/dbraw/zinc/79/16/47/302791647.db2.gz HTJCEZWIFDLMQV-KOLCDFICSA-N -1 0 320.349 0.154 50 0 DCAARM O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]o1 ZINC000252536127 303822866 /nfs/dbraw/zinc/82/28/66/303822866.db2.gz HQAINFDFWRYDEY-WCQGTBRESA-N -1 0 303.318 0.887 50 0 DCAARM CC(=O)N1CCO[C@@H](CNc2nc(C)[n-]c(=O)c2Cl)C1 ZINC000534590191 334294038 /nfs/dbraw/zinc/29/40/38/334294038.db2.gz ZDNJZVAMGACZFZ-VIFPVBQESA-N -1 0 300.746 0.803 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000268963774 534525972 /nfs/dbraw/zinc/52/59/72/534525972.db2.gz BBKMMJWIZHTWCR-LBPRGKRZSA-N -1 0 319.317 0.142 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000238032957 527660097 /nfs/dbraw/zinc/66/00/97/527660097.db2.gz LPEPWQBNYKIKSP-ZDUSSCGKSA-N -1 0 315.333 0.671 50 0 DCAARM CC1(C)C(=O)NC(=O)N1CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000299748799 528864197 /nfs/dbraw/zinc/86/41/97/528864197.db2.gz IFMUAWLPNAUVEG-UHFFFAOYSA-N -1 0 319.317 0.331 50 0 DCAARM Cc1cnc2c(cccc2S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000262383652 662360143 /nfs/dbraw/zinc/36/01/43/662360143.db2.gz YYQTZECYPHCYIA-CQSZACIVSA-N -1 0 324.358 0.657 50 0 DCAARM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cn1[n-]nnc1=N ZINC000952966563 685598857 /nfs/dbraw/zinc/59/88/57/685598857.db2.gz IGNAYOHMWZMXHH-LBPRGKRZSA-N -1 0 302.338 0.288 50 0 DCAARM O=C([O-])c1ccc(N2CCC[C@@H](CNC(=O)C3CC3)C2)nn1 ZINC000952965988 685599351 /nfs/dbraw/zinc/59/93/51/685599351.db2.gz GKQIJESITQXOFD-JTQLQIEISA-N -1 0 304.350 0.917 50 0 DCAARM CNC(=O)c1noc(-c2nc3c([n-]2)CC(C)(C)CNC3=O)n1 ZINC000065406933 685063852 /nfs/dbraw/zinc/06/38/52/685063852.db2.gz JJWARFDXYBYKOX-UHFFFAOYSA-N -1 0 304.310 0.131 50 0 DCAARM COc1ccc(-n2cccn2)c(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC001704353119 1179983398 /nfs/dbraw/zinc/98/33/98/1179983398.db2.gz RRZIHMQVUYWTPB-DOMZBBRYSA-N -1 0 317.345 0.901 50 0 DCAARM CCCn1cnnc1CNC(=O)c1ccccc1-c1nn[nH]n1 ZINC000823031288 758218789 /nfs/dbraw/zinc/21/87/89/758218789.db2.gz HLNNKWVXCQHSTD-UHFFFAOYSA-N -1 0 312.337 0.798 50 0 DCAARM Cc1nccn1CC[C@H]1CCCCN1C(=O)Cn1[n-]nnc1=N ZINC001506419694 1017266463 /nfs/dbraw/zinc/26/64/63/1017266463.db2.gz VJRUFYWDQJXKCG-GFCCVEGCSA-N -1 0 318.385 0.062 50 0 DCAARM COc1cccc(CO[C@@H](C)C(=O)N(C)Cc2nnn[n-]2)c1 ZINC000078914745 185128249 /nfs/dbraw/zinc/12/82/49/185128249.db2.gz BJWLYOAWQRDRLW-JTQLQIEISA-N -1 0 305.338 0.772 50 0 DCAARM COc1ccccc1S([O-])=CC(=O)N[C@@H]1CCCCNC1=O ZINC000095394029 185352040 /nfs/dbraw/zinc/35/20/40/185352040.db2.gz NOPORXBWSSPVKK-XFNZEKPQSA-N -1 0 324.402 0.588 50 0 DCAARM Cc1nc(C(C)C)ncc1C(=O)NCCn1[n-]c(=O)ccc1=O ZINC000071746891 191021174 /nfs/dbraw/zinc/02/11/74/191021174.db2.gz KLHMYHGZRWGQDH-UHFFFAOYSA-N -1 0 317.349 0.601 50 0 DCAARM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003885988 181052158 /nfs/dbraw/zinc/05/21/58/181052158.db2.gz AFRSUXWJUFUMFM-WCBMZHEXSA-N -1 0 305.739 0.549 50 0 DCAARM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000003886491 181052879 /nfs/dbraw/zinc/05/28/79/181052879.db2.gz MPTAGPDKOCKSRA-LBPRGKRZSA-N -1 0 315.347 0.845 50 0 DCAARM C[S@@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000004195890 181083676 /nfs/dbraw/zinc/08/36/76/181083676.db2.gz OHBLCPSPVBXNBB-YPMLDQLKSA-N -1 0 305.377 0.187 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004380642 181104093 /nfs/dbraw/zinc/10/40/93/181104093.db2.gz LPBXLYYIGKHSND-QWRGUYRKSA-N -1 0 317.301 0.076 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000078307597 191845851 /nfs/dbraw/zinc/84/58/51/191845851.db2.gz DCOAWIYXHYJILR-NSHDSACASA-N -1 0 315.329 0.720 50 0 DCAARM O=C([O-])CCN(C(=O)CN1CSCC1=O)C1CCOCC1 ZINC000299748252 304051850 /nfs/dbraw/zinc/05/18/50/304051850.db2.gz GPDNEZJBHDLORV-UHFFFAOYSA-N -1 0 316.379 0.002 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2ncc(=O)c3ccccc32)C1 ZINC000237645247 202316336 /nfs/dbraw/zinc/31/63/36/202316336.db2.gz LDXOBHHSSXOLKU-INIZCTEOSA-N -1 0 315.329 0.720 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000268925325 238251905 /nfs/dbraw/zinc/25/19/05/238251905.db2.gz VJSBNOBFLKUTJU-NKWVEPMBSA-N -1 0 318.255 0.744 50 0 DCAARM COCCOc1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268977083 238254147 /nfs/dbraw/zinc/25/41/47/238254147.db2.gz KFGOENFUIRXAEP-CYBMUJFWSA-N -1 0 309.318 0.637 50 0 DCAARM Cc1ccc(-n2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])nn2)cc1 ZINC000268974584 238254526 /nfs/dbraw/zinc/25/45/26/238254526.db2.gz JCCBXXGVJVGJAO-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM CC(NCCCO)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000006184946 181317883 /nfs/dbraw/zinc/31/78/83/181317883.db2.gz JWPXKNDUNOWWQP-ACCUITESSA-N -1 0 317.345 0.511 50 0 DCAARM O=C([O-])CNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000006624492 181362478 /nfs/dbraw/zinc/36/24/78/181362478.db2.gz KOMGSELVNUOCFF-HZMBPMFUSA-N -1 0 318.285 0.047 50 0 biogenic DCAARM C[C@H](NC(=O)c1cccc(Cn2cccn2)c1)c1n[nH]c(=O)[n-]1 ZINC000091757301 193103472 /nfs/dbraw/zinc/10/34/72/193103472.db2.gz TVXNOHZNBVJFTO-JTQLQIEISA-N -1 0 312.333 0.834 50 0 DCAARM CC1(C)C[C@H](NS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CCO1 ZINC000567799507 291378403 /nfs/dbraw/zinc/37/84/03/291378403.db2.gz RUFCZZNIJNUCRR-NXEZZACHSA-N -1 0 306.384 0.327 50 0 DCAARM CC(C)n1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cn1 ZINC000218627982 201542601 /nfs/dbraw/zinc/54/26/01/201542601.db2.gz JBNMMVIRBMSITO-NEPJUHHUSA-N -1 0 311.338 0.453 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000018007528 182089585 /nfs/dbraw/zinc/08/95/85/182089585.db2.gz DUSKOZOKHATRJQ-NXEZZACHSA-N -1 0 321.720 0.720 50 0 DCAARM CCCn1cc(C(=O)[O-])c(S(=O)(=O)N2CCOCC2)n1 ZINC000065240423 184316973 /nfs/dbraw/zinc/31/69/73/184316973.db2.gz QHHKMIGLZTULTG-UHFFFAOYSA-N -1 0 303.340 0.012 50 0 DCAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c2cnn(C)c2n1 ZINC000427965190 257235346 /nfs/dbraw/zinc/23/53/46/257235346.db2.gz PSUAASXJIOMBJU-NSHDSACASA-N -1 0 304.306 0.202 50 0 DCAARM CC(C)(C)N1C[C@H](C(=O)NC2(C(=O)[O-])CCOCC2)CC1=O ZINC000426402057 257250789 /nfs/dbraw/zinc/25/07/89/257250789.db2.gz SCTFDJGLPHJTAQ-SNVBAGLBSA-N -1 0 312.366 0.383 50 0 DCAARM CSCC[C@H](NC(C)=O)C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000426397449 257252572 /nfs/dbraw/zinc/25/25/72/257252572.db2.gz PQBBILXURMMOCB-ZRUFSTJUSA-N -1 0 300.380 0.033 50 0 DCAARM CCN(CC)C(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000009594999 395685384 /nfs/dbraw/zinc/68/53/84/395685384.db2.gz ZKMAGYFHQVKIIB-UHFFFAOYSA-N -1 0 311.363 0.204 50 0 DCAARM O=C([O-])c1ccc(NNC2=c3ccc(Cl)cc3=NC2=O)cc1 ZINC000013120531 395688487 /nfs/dbraw/zinc/68/84/87/395688487.db2.gz CLVJPCWJBBXLJK-UHFFFAOYSA-N -1 0 315.716 0.923 50 0 DCAARM O=C([O-])/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000000032116 395679723 /nfs/dbraw/zinc/67/97/23/395679723.db2.gz KRPLPSOMXIAUNM-ONEGZZNKSA-N -1 0 318.329 0.700 50 0 DCAARM O=C([O-])c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000004755314 395682661 /nfs/dbraw/zinc/68/26/61/395682661.db2.gz BJPWOPWIEYSUSQ-UHFFFAOYSA-N -1 0 307.262 0.854 50 0 DCAARM CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000032917530 395714727 /nfs/dbraw/zinc/71/47/27/395714727.db2.gz DRQWPMLPXFLRBF-GFCCVEGCSA-N -1 0 312.347 0.569 50 0 DCAARM Cn1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1C(N)=O ZINC000028245376 395695938 /nfs/dbraw/zinc/69/59/38/395695938.db2.gz RTIWDRXNSHSGST-UHFFFAOYSA-N -1 0 319.346 0.801 50 0 DCAARM O=C([O-])c1sccc1S(=O)(=O)N1CCC(CO)CC1 ZINC000037328031 395726354 /nfs/dbraw/zinc/72/63/54/395726354.db2.gz OKDMAASSNQVVPZ-UHFFFAOYSA-N -1 0 305.377 0.839 50 0 DCAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000037589995 395727968 /nfs/dbraw/zinc/72/79/68/395727968.db2.gz VMVXXDFBJWDKDW-QWRGUYRKSA-N -1 0 300.355 0.193 50 0 DCAARM CCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(=O)n3nc[n-]c3n2)C1 ZINC000101772720 395767113 /nfs/dbraw/zinc/76/71/13/395767113.db2.gz SXEYJAKYTMOGKL-OAHLLOKOSA-N -1 0 319.365 0.885 50 0 DCAARM COc1cccc(CC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1 ZINC000219924325 395846984 /nfs/dbraw/zinc/84/69/84/395846984.db2.gz NQICJDTYLYPIOU-AWEZNQCLSA-N -1 0 315.329 0.999 50 0 DCAARM C[C@H](CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1)c1nnn[n-]1 ZINC000124579448 395900398 /nfs/dbraw/zinc/90/03/98/395900398.db2.gz GHXBRNYUWTXQJI-LDYMZIIASA-N -1 0 305.313 0.904 50 0 DCAARM Cc1cccc(NC(=O)CC(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)c1C ZINC000055271371 395915389 /nfs/dbraw/zinc/91/53/89/395915389.db2.gz CYHWNKKWQGEKOA-JTQLQIEISA-N -1 0 317.349 0.921 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000261747588 396062419 /nfs/dbraw/zinc/06/24/19/396062419.db2.gz ORDZTCRWOIRTAN-DGCLKSJQSA-N -1 0 324.377 0.480 50 0 DCAARM O=C(c1ccc2c(c1)OCO2)N1CCC(c2nnn[n-]2)CC1 ZINC000252496852 396021544 /nfs/dbraw/zinc/02/15/44/396021544.db2.gz PSYLEASZRQRFMI-UHFFFAOYSA-N -1 0 301.306 0.948 50 0 DCAARM COCCOCCOCCOCCOCCOCCC(=O)[O-] ZINC000079016499 396260263 /nfs/dbraw/zinc/26/02/63/396260263.db2.gz YMWMTQPDLHRNCZ-UHFFFAOYSA-N -1 0 324.370 0.191 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccccc3)c(=O)[nH]c21 ZINC000585152436 396642242 /nfs/dbraw/zinc/64/22/42/396642242.db2.gz DRWBSFIZDQQHFA-YFHOEESVSA-N -1 0 312.285 0.779 50 0 DCAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)C1=COCCO1 ZINC000003514194 415127716 /nfs/dbraw/zinc/12/77/16/415127716.db2.gz PACGIYZVIZTAEU-UHFFFAOYSA-N -1 0 321.285 0.383 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000269021107 415248548 /nfs/dbraw/zinc/24/85/48/415248548.db2.gz IFEQEOLIGLWLCN-LBPRGKRZSA-N -1 0 318.329 0.887 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000269165006 415248705 /nfs/dbraw/zinc/24/87/05/415248705.db2.gz DWLMEACGVUKBBX-SNVBAGLBSA-N -1 0 312.347 0.141 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)NC[C@H](C)C(=O)[O-])oc1C ZINC000274945552 415368087 /nfs/dbraw/zinc/36/80/87/415368087.db2.gz RSTJYFYNVTYXJJ-LURJTMIESA-N -1 0 305.308 0.374 50 0 DCAARM Cc1c(F)cccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000275085520 415373437 /nfs/dbraw/zinc/37/34/37/415373437.db2.gz JKKVNOKOSBGULO-JTQLQIEISA-N -1 0 303.311 0.608 50 0 DCAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)C(=O)N1CCc2ccccc21 ZINC000118960182 415736117 /nfs/dbraw/zinc/73/61/17/415736117.db2.gz LUIJBCBNRLXLNL-SNVBAGLBSA-N -1 0 302.330 0.945 50 0 DCAARM COCCN1C(=O)C[C@](CC(=O)[O-])(c2ccccc2OC)C1=O ZINC000299757600 416064928 /nfs/dbraw/zinc/06/49/28/416064928.db2.gz HIUGDGQHWDMCJX-INIZCTEOSA-N -1 0 321.329 0.813 50 0 DCAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C(=O)[O-])c1 ZINC000237150724 416328139 /nfs/dbraw/zinc/32/81/39/416328139.db2.gz QMKLDSWKHNKLSU-UONOGXRCSA-N -1 0 318.373 0.833 50 0 DCAARM CN1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC000244795298 416331064 /nfs/dbraw/zinc/33/10/64/416331064.db2.gz RDMYADNHRNRMIC-ZDUSSCGKSA-N -1 0 312.391 0.291 50 0 DCAARM Cc1sc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000583652270 416482472 /nfs/dbraw/zinc/48/24/72/416482472.db2.gz ACQOTCBJJLLHCE-ZETCQYMHSA-N -1 0 318.376 0.251 50 0 DCAARM CN(C)c1ccnc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000655596395 418278697 /nfs/dbraw/zinc/27/86/97/418278697.db2.gz FOUNLHOZSTZIDL-CQSZACIVSA-N -1 0 314.345 0.968 50 0 DCAARM Cc1ccc(-n2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)nn2)cc1 ZINC000299748097 229391862 /nfs/dbraw/zinc/39/18/62/229391862.db2.gz FZQHBCVIFIEIOZ-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000269082878 289387859 /nfs/dbraw/zinc/38/78/59/289387859.db2.gz JCHGALKJURPZNK-OCCSQVGLSA-N -1 0 306.362 0.819 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000153076875 289487057 /nfs/dbraw/zinc/48/70/57/289487057.db2.gz YVUUEZJWFKZQQI-AWEZNQCLSA-N -1 0 310.325 0.742 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc21 ZINC000299748225 289819054 /nfs/dbraw/zinc/81/90/54/289819054.db2.gz GMNNQWRLEYJHNO-YPMHNXCESA-N -1 0 318.329 0.449 50 0 DCAARM Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000004218969 301196810 /nfs/dbraw/zinc/19/68/10/301196810.db2.gz GPKXJDJMUFBDBV-NWDGAFQWSA-N -1 0 313.375 0.820 50 0 DCAARM NC(=O)c1c2snnc2c(=O)n(Cc2ccc(F)cc2)c1[O-] ZINC000006058620 303338909 /nfs/dbraw/zinc/33/89/09/303338909.db2.gz BEHUXAMSCCVZHQ-UHFFFAOYSA-N -1 0 320.305 0.845 50 0 DCAARM Cc1ccc(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])o1 ZINC000247942441 341371239 /nfs/dbraw/zinc/37/12/39/341371239.db2.gz VJKGDEVIJQIDSB-PTRXPTGYSA-N -1 0 324.358 0.833 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CCO1 ZINC000262865602 534538152 /nfs/dbraw/zinc/53/81/52/534538152.db2.gz HYSBDWRRMFRGQS-GFCCVEGCSA-N -1 0 322.292 0.636 50 0 DCAARM CC(=O)N[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CCCC1 ZINC000262441708 526817675 /nfs/dbraw/zinc/81/76/75/526817675.db2.gz NPUMKGTYQWMIGK-TZMCWYRMSA-N -1 0 312.366 0.383 50 0 DCAARM O=C1C[C@@H](c2ccccc2)CN1Cc1n[n-]c(=N[N+](=O)[O-])[nH]1 ZINC000000333411 534973801 /nfs/dbraw/zinc/97/38/01/534973801.db2.gz ZBIIZGLJBRDXNQ-SNVBAGLBSA-N -1 0 302.294 0.924 50 0 DCAARM CCC(NCCCO)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020329428 535226885 /nfs/dbraw/zinc/22/68/85/535226885.db2.gz JGHLYIGKPZEFKF-OUKQBFOZSA-N -1 0 317.345 0.906 50 0 DCAARM O=C([O-])CCNC(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000952984708 685602090 /nfs/dbraw/zinc/60/20/90/685602090.db2.gz ADWATNINCIGXHO-JTQLQIEISA-N -1 0 309.322 0.658 50 0 DCAARM CN(C)CC(=O)Nc1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000952988985 685603015 /nfs/dbraw/zinc/60/30/15/685603015.db2.gz RFRMRBWFUHUSPM-UHFFFAOYSA-N -1 0 305.334 0.990 50 0 DCAARM COCc1cc(=O)[nH]c(N2CC[C@@H](Nc3ncccn3)C2)n1 ZINC000952995433 685603698 /nfs/dbraw/zinc/60/36/98/685603698.db2.gz LUNSYQNKHZKAOO-SNVBAGLBSA-N -1 0 302.338 0.809 50 0 DCAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@@H](C)N1CCCC1=O ZINC000065453349 685063991 /nfs/dbraw/zinc/06/39/91/685063991.db2.gz GUNIKHNGTVFVGG-SNVBAGLBSA-N -1 0 308.338 0.534 50 0 DCAARM Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c(C)s1 ZINC001704299660 1179965333 /nfs/dbraw/zinc/96/53/33/1179965333.db2.gz QDIHKWXNBPLTKH-UWVGGRQHSA-N -1 0 319.404 0.821 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(c2ncccc2C(=O)NC)C[C@@H]1O ZINC001704324707 1179974141 /nfs/dbraw/zinc/97/41/41/1179974141.db2.gz DJZRICIGVGUJMV-LRDDRELGSA-N -1 0 321.377 0.883 50 0 DCAARM Cn1ccc2cc(NC(=O)CCc3n[nH]c(=O)[n-]c3=O)ccc21 ZINC000095474337 185372936 /nfs/dbraw/zinc/37/29/36/185372936.db2.gz MSSROIZTAWVKQB-UHFFFAOYSA-N -1 0 313.317 0.521 50 0 DCAARM CCc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000095481302 185373908 /nfs/dbraw/zinc/37/39/08/185373908.db2.gz BYXNYHPMEAWBOU-MNOVXSKESA-N -1 0 301.302 0.239 50 0 DCAARM CN1CC(=O)N(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299744450 530046726 /nfs/dbraw/zinc/04/67/26/530046726.db2.gz SGRUPPIAZCSGOB-MXWKQRLJSA-N -1 0 323.349 0.125 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003839543 181047702 /nfs/dbraw/zinc/04/77/02/181047702.db2.gz AFRSUXWJUFUMFM-SCZZXKLOSA-N -1 0 305.739 0.549 50 0 DCAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C(=O)[O-])c1 ZINC000237150564 202168501 /nfs/dbraw/zinc/16/85/01/202168501.db2.gz QMKLDSWKHNKLSU-ZIAGYGMSSA-N -1 0 318.373 0.833 50 0 DCAARM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000194931443 201313543 /nfs/dbraw/zinc/31/35/43/201313543.db2.gz KZGWYTUAURNDOR-UONOGXRCSA-N -1 0 304.346 0.809 50 0 DCAARM Nc1nc2ncc(CNc3ccc(C(=O)[O-])cc3)nc2c(=O)[nH]1 ZINC000006628789 181362872 /nfs/dbraw/zinc/36/28/72/181362872.db2.gz JOAQINSXLLMRCV-UHFFFAOYSA-N -1 0 312.289 0.606 50 0 in-vivo DCAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCCCN1CCOCC1 ZINC000006731965 181378994 /nfs/dbraw/zinc/37/89/94/181378994.db2.gz YDYONXSOUBSUGG-NEXFUWMNSA-N -1 0 324.421 0.962 50 0 DCAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2nccn2)C1 ZINC000091691699 193093020 /nfs/dbraw/zinc/09/30/20/193093020.db2.gz HVQRUTCRBSJWMH-CQSZACIVSA-N -1 0 310.354 0.398 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328594740 304134320 /nfs/dbraw/zinc/13/43/20/304134320.db2.gz AQHKWXPGOGFUQB-KMOQFTEPSA-N -1 0 319.313 0.783 50 0 DCAARM COCc1cccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])n1 ZINC000223054424 201631677 /nfs/dbraw/zinc/63/16/77/201631677.db2.gz SMMCCJDSNRGJJR-OLZOCXBDSA-N -1 0 324.333 0.217 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000252431540 304143858 /nfs/dbraw/zinc/14/38/58/304143858.db2.gz LAFXIKOZHMDLJA-YFKTTZPYSA-N -1 0 315.391 0.665 50 0 DCAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000013027870 181825123 /nfs/dbraw/zinc/82/51/23/181825123.db2.gz BBFDCEIFVLKUOK-NSHDSACASA-N -1 0 310.331 0.419 50 0 DCAARM CCOCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013197028 181837657 /nfs/dbraw/zinc/83/76/57/181837657.db2.gz CNXCEYMZGLSHRA-UHFFFAOYSA-N -1 0 303.336 0.795 50 0 DCAARM CN(C)S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000017087051 182075086 /nfs/dbraw/zinc/07/50/86/182075086.db2.gz LEHADNOAODUGMN-SECBINFHSA-N -1 0 312.347 0.374 50 0 DCAARM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1O ZINC000019230484 182109047 /nfs/dbraw/zinc/10/90/47/182109047.db2.gz ZBGIIEOQXHIDKL-QMMMGPOBSA-N -1 0 301.320 0.548 50 0 DCAARM O=C([O-])C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000020728176 182244327 /nfs/dbraw/zinc/24/43/27/182244327.db2.gz JCXZZWLBKOKVKI-UHFFFAOYSA-N -1 0 301.302 0.537 50 0 DCAARM CC(=O)N1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000034926587 182744566 /nfs/dbraw/zinc/74/45/66/182744566.db2.gz SDSJCPJPCXJVQK-UHFFFAOYSA-N -1 0 319.361 0.268 50 0 DCAARM NC(=O)[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1 ZINC000034926606 182744611 /nfs/dbraw/zinc/74/46/11/182744611.db2.gz WELJMXFWOODALI-GFCCVEGCSA-N -1 0 319.361 0.302 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000034926440 182744792 /nfs/dbraw/zinc/74/47/92/182744792.db2.gz KBGMSXKDTQTSFZ-NEPJUHHUSA-N -1 0 320.345 0.921 50 0 DCAARM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])CS2 ZINC000042145301 183235811 /nfs/dbraw/zinc/23/58/11/183235811.db2.gz IVNWVYUXSFKPJO-RULNRJAQSA-N -1 0 312.391 0.906 50 0 DCAARM O=C([O-])CCCCCNC(=O)Cn1nc2c(cc1=O)CCCC2 ZINC000049550023 183740463 /nfs/dbraw/zinc/74/04/63/183740463.db2.gz FCATYFJMMVGIES-UHFFFAOYSA-N -1 0 321.377 0.883 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3c(c2)ncn3CCCO)C1 ZINC000065434243 184344590 /nfs/dbraw/zinc/34/45/90/184344590.db2.gz RYWSUACISDADEX-JTQLQIEISA-N -1 0 303.318 0.856 50 0 DCAARM COc1ccccc1CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000321942230 257241964 /nfs/dbraw/zinc/24/19/64/257241964.db2.gz BOWKHQOHOLWXLS-LBPRGKRZSA-N -1 0 320.345 0.430 50 0 DCAARM CCN(C(=O)c1cc(OC)cc(C(=O)[O-])c1)[C@H]1COC[C@@H]1O ZINC000426551381 257246801 /nfs/dbraw/zinc/24/68/01/257246801.db2.gz UMDVFLAYWZQGFB-STQMWFEESA-N -1 0 309.318 0.615 50 0 DCAARM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000012730920 257268237 /nfs/dbraw/zinc/26/82/37/257268237.db2.gz QAISEYQOEDIKPN-UHFFFAOYSA-N -1 0 317.273 0.451 50 0 DCAARM O=S(=O)(NC1CC1)c1ccc2c(c1)S(=O)(=O)[N-]C=N2 ZINC000009002246 395685022 /nfs/dbraw/zinc/68/50/22/395685022.db2.gz QUMUFXZDMZIYMY-UHFFFAOYSA-N -1 0 301.349 0.079 50 0 DCAARM Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)NCCCC(=O)[O-] ZINC000011635242 395686714 /nfs/dbraw/zinc/68/67/14/395686714.db2.gz ICEPFQUJYUGSDM-UHFFFAOYSA-N -1 0 313.335 0.308 50 0 DCAARM CC[C@@H](C)[C@@H](C(=O)NCC(=O)[O-])n1nnc2ccccc2c1=O ZINC000011867200 395686995 /nfs/dbraw/zinc/68/69/95/395686995.db2.gz OIGBDNGJCXKHLN-RNCFNFMXSA-N -1 0 318.333 0.580 50 0 DCAARM Cn1nc(C(=O)N2CCC(C(=O)[O-])CC2)c2ccccc2c1=O ZINC000013167199 395688439 /nfs/dbraw/zinc/68/84/39/395688439.db2.gz LZZIYNARMJTRRD-UHFFFAOYSA-N -1 0 315.329 0.870 50 0 DCAARM COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC000013233295 395688550 /nfs/dbraw/zinc/68/85/50/395688550.db2.gz ZZORFUFYDOWNEF-UHFFFAOYSA-N -1 0 310.335 0.877 50 0 world DCAARM COc1ccc(NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000013624804 395688706 /nfs/dbraw/zinc/68/87/06/395688706.db2.gz SCXOUMKZLNWOSA-UHFFFAOYSA-N -1 0 313.317 0.916 50 0 DCAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCO)C2=O)cc1 ZINC000020324225 395691286 /nfs/dbraw/zinc/69/12/86/395691286.db2.gz NNRPYPQJHCYOGK-FMIVXFBMSA-N -1 0 319.317 0.134 50 0 DCAARM CC(C)N(C(=O)CSc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000000388811 395680277 /nfs/dbraw/zinc/68/02/77/395680277.db2.gz KXAKZSKATGPFJV-UHFFFAOYSA-N -1 0 320.374 0.992 50 0 DCAARM CCOC(=O)N1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000000608638 395680587 /nfs/dbraw/zinc/68/05/87/395680587.db2.gz NKDQVIWRNQEBNL-VXGBXAGGSA-N -1 0 310.350 0.954 50 0 DCAARM CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)[O-] ZINC000001841384 395681259 /nfs/dbraw/zinc/68/12/59/395681259.db2.gz OZSSOVRIEPAIMP-ZETCQYMHSA-N -1 0 319.318 0.050 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1 ZINC000002634448 395681658 /nfs/dbraw/zinc/68/16/58/395681658.db2.gz BCXWYNWLIBJFMK-JTQLQIEISA-N -1 0 314.363 0.300 50 0 DCAARM C[C@H](Cc1ccccc1)n1cc([N-]C(=O)NCC(=O)[O-])[o+]n1 ZINC000006824219 395683061 /nfs/dbraw/zinc/68/30/61/395683061.db2.gz CBKNCTCXFKKUSZ-SNVBAGLBSA-O -1 0 305.314 0.972 50 0 DCAARM CCCn1ncc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1C ZINC000096151916 395746804 /nfs/dbraw/zinc/74/68/04/395746804.db2.gz BPPJQOIAFUMEHM-ZDUSSCGKSA-N -1 0 317.349 0.976 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000100059267 395762655 /nfs/dbraw/zinc/76/26/55/395762655.db2.gz OCYOUKBIWMOJHK-GHMZBOCLSA-N -1 0 301.302 0.294 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100619452 395763254 /nfs/dbraw/zinc/76/32/54/395763254.db2.gz VMYXSAJOWAPRHM-QWRGUYRKSA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000101007898 395763936 /nfs/dbraw/zinc/76/39/36/395763936.db2.gz COJFVEBCHFRABB-MWLCHTKSSA-N -1 0 316.273 0.461 50 0 DCAARM COc1ccc(OC)c(NC(C)=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000101033929 395764005 /nfs/dbraw/zinc/76/40/05/395764005.db2.gz BKOFAIDYJABZMP-UHFFFAOYSA-N -1 0 305.290 0.756 50 0 DCAARM CC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)NC1=O ZINC000101087162 395764120 /nfs/dbraw/zinc/76/41/20/395764120.db2.gz KWNNIBQQIGMZKE-UHFFFAOYSA-N -1 0 303.274 0.145 50 0 DCAARM COc1cc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc(OC)c1O ZINC000101347854 395764280 /nfs/dbraw/zinc/76/42/80/395764280.db2.gz XEWVWPVQDVYJPC-SECBINFHSA-N -1 0 318.289 0.984 50 0 DCAARM CCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])ccn1 ZINC000219591612 395846223 /nfs/dbraw/zinc/84/62/23/395846223.db2.gz ZTPFZKJKUFLTPC-CHWSQXEVSA-N -1 0 308.334 0.633 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cncc(Cl)c1 ZINC000219683911 395846288 /nfs/dbraw/zinc/84/62/88/395846288.db2.gz PQNANMSVKANWNN-GHMZBOCLSA-N -1 0 314.725 0.724 50 0 DCAARM O=C(CCCC(=O)c1ccccc1)NCCc1n[nH]c(=O)[n-]1 ZINC000219957411 395847164 /nfs/dbraw/zinc/84/71/64/395847164.db2.gz UAWYZVZVNTUDMJ-UHFFFAOYSA-N -1 0 302.334 0.810 50 0 DCAARM C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1n[nH]c(=O)[n-]1 ZINC000055166796 395912913 /nfs/dbraw/zinc/91/29/13/395912913.db2.gz LIYFTBYZPIBWOV-QMMMGPOBSA-N -1 0 321.312 0.234 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cn3cccn3)cc2)CCO1 ZINC000238129575 395922092 /nfs/dbraw/zinc/92/20/92/395922092.db2.gz LHNUNZZVPBIVAI-CQSZACIVSA-N -1 0 315.329 0.857 50 0 DCAARM Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@@H](CO)C(C)C)c2=O ZINC000230273955 395880174 /nfs/dbraw/zinc/88/01/74/395880174.db2.gz ONEXSMYYLAHJGE-LBPRGKRZSA-N -1 0 321.381 0.100 50 0 DCAARM C/C(=C/C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1)c1ccncc1 ZINC000158156877 396064035 /nfs/dbraw/zinc/06/40/35/396064035.db2.gz TWFQVBMMAISEAZ-KGTBHZDVSA-N -1 0 310.375 0.967 50 0 DCAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1n[nH]c2c1CCCC2 ZINC000158034224 396064622 /nfs/dbraw/zinc/06/46/22/396064622.db2.gz YBVVHPVJZRYVTO-VIFPVBQESA-N -1 0 313.379 0.385 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000153076780 396020849 /nfs/dbraw/zinc/02/08/49/396020849.db2.gz YVUUEZJWFKZQQI-CQSZACIVSA-N -1 0 310.325 0.742 50 0 DCAARM CNC(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000071287505 396111632 /nfs/dbraw/zinc/11/16/32/396111632.db2.gz LKFVFGSGRKHMSJ-UHFFFAOYSA-N -1 0 300.274 0.787 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)[C@H]2C[C@H]2c2ccccc2)n[n-]1 ZINC000069513163 396081162 /nfs/dbraw/zinc/08/11/62/396081162.db2.gz UGLQUNRRGYXODT-UWVGGRQHSA-N -1 0 306.347 0.950 50 0 DCAARM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000069525772 396082053 /nfs/dbraw/zinc/08/20/53/396082053.db2.gz KGLQIRPEROWCPG-SECBINFHSA-N -1 0 315.347 0.703 50 0 DCAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2COCCO2)c1OC ZINC000262480147 396145473 /nfs/dbraw/zinc/14/54/73/396145473.db2.gz KMBWFKMNERTUOU-NSHDSACASA-N -1 0 311.290 0.756 50 0 DCAARM C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262541337 396152976 /nfs/dbraw/zinc/15/29/76/396152976.db2.gz RKMXXMAHEQOYJO-NWDGAFQWSA-N -1 0 311.382 0.751 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)COCCOc2ccccc2)CCO1 ZINC000262999848 396197203 /nfs/dbraw/zinc/19/72/03/396197203.db2.gz PRKLJJCPLSKPAQ-CYBMUJFWSA-N -1 0 309.318 0.394 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccncc3)c(=O)[nH]c21 ZINC000585152481 396642236 /nfs/dbraw/zinc/64/22/36/396642236.db2.gz NJPYSDLTGLFRHM-TWGQIWQCSA-N -1 0 313.273 0.174 50 0 DCAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000630254399 396972508 /nfs/dbraw/zinc/97/25/08/396972508.db2.gz SLXAHCXBPAYIGN-OAHLLOKOSA-N -1 0 318.333 0.592 50 0 DCAARM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1CCCOC1 ZINC000262210637 158785963 /nfs/dbraw/zinc/78/59/63/158785963.db2.gz PSQJVBJTPXWIBV-RYUDHWBXSA-N -1 0 312.366 0.195 50 0 DCAARM O=C([O-])C1(CNC(=O)[C@@H]2Cc3ccccc3O2)CCOCC1 ZINC000262343352 158800019 /nfs/dbraw/zinc/80/00/19/158800019.db2.gz UOUCVZQQHLFXMQ-ZDUSSCGKSA-N -1 0 305.330 0.988 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(c(Cl)c2)OCO3)CCO1 ZINC000049864844 415308434 /nfs/dbraw/zinc/30/84/34/415308434.db2.gz TTWSDHXKDHZNGN-JTQLQIEISA-N -1 0 313.693 0.994 50 0 DCAARM Cc1nn(C)c2sc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc12 ZINC000049864797 415308751 /nfs/dbraw/zinc/30/87/51/415308751.db2.gz SRIKNDPNWPDMKB-SECBINFHSA-N -1 0 309.347 0.869 50 0 DCAARM CC(C)NC(=O)CNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000065554172 415357088 /nfs/dbraw/zinc/35/70/88/415357088.db2.gz FQZIPSNDTAGFEN-MRXNPFEDSA-N -1 0 319.361 0.737 50 0 DCAARM Cn1c(CO)nnc1[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095356948 415554920 /nfs/dbraw/zinc/55/49/20/415554920.db2.gz LONNQWMJDQMEIH-VIFPVBQESA-N -1 0 318.337 0.180 50 0 DCAARM CN(C)c1ccc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cn1 ZINC000096132202 415577451 /nfs/dbraw/zinc/57/74/51/415577451.db2.gz DXHQQUKYYBPFIA-GFCCVEGCSA-N -1 0 315.333 0.522 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 ZINC000299746557 416064577 /nfs/dbraw/zinc/06/45/77/416064577.db2.gz YDHRWNQVYXVWIW-OAHLLOKOSA-N -1 0 306.318 0.488 50 0 DCAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cccc(N4CCNC4=O)c3)C[C@@H]21 ZINC000299778984 416066780 /nfs/dbraw/zinc/06/67/80/416066780.db2.gz RTTMYNLKENKHPF-ITGUQSILSA-N -1 0 315.329 0.619 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)CCO1 ZINC000314961719 416111563 /nfs/dbraw/zinc/11/15/63/416111563.db2.gz OKQUJHCDIUWANO-KWEXDPCDSA-N -1 0 303.314 0.947 50 0 DCAARM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])CS2 ZINC000252451037 416334536 /nfs/dbraw/zinc/33/45/36/416334536.db2.gz IVNWVYUXSFKPJO-BHDSKKPTSA-N -1 0 312.391 0.906 50 0 DCAARM C[C@H](NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)C(=O)[O-] ZINC000212282719 416326902 /nfs/dbraw/zinc/32/69/02/416326902.db2.gz ZMZPNHAHOFFFMD-WCQYABFASA-N -1 0 304.346 0.809 50 0 DCAARM O=C([O-])CCNC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000238176127 416329758 /nfs/dbraw/zinc/32/97/58/416329758.db2.gz KTLCFRVUWXZRKD-QMMMGPOBSA-N -1 0 312.272 0.909 50 0 DCAARM CC1(C)C(=O)NC(=O)N1CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000521364871 417006497 /nfs/dbraw/zinc/00/64/97/417006497.db2.gz RPWJVKQSNYCZDT-UHFFFAOYSA-N -1 0 319.317 0.331 50 0 DCAARM O=C(NC1(c2nnn[n-]2)CC1)c1cnc(OCC2CC2)cn1 ZINC000355040619 261299522 /nfs/dbraw/zinc/29/95/22/261299522.db2.gz OHYWYHQDCFIRBV-UHFFFAOYSA-N -1 0 301.310 0.198 50 0 DCAARM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262953374 278476238 /nfs/dbraw/zinc/47/62/38/278476238.db2.gz LLXJMUYBLADWRO-HOSYDEDBSA-N -1 0 317.407 0.911 50 0 DCAARM CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCC(=O)[O-])O1 ZINC000012659366 281415775 /nfs/dbraw/zinc/41/57/75/281415775.db2.gz PQJQDUMTNKVEQJ-KICMGLQKSA-N -1 0 318.322 0.484 50 0 biogenic DCAARM Cn1cc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000248097747 302919334 /nfs/dbraw/zinc/91/93/34/302919334.db2.gz DGFOHDWRHIYFNI-WCQGTBRESA-N -1 0 313.379 0.827 50 0 DCAARM Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])cn1 ZINC000095366062 332169416 /nfs/dbraw/zinc/16/94/16/332169416.db2.gz UEDAKNGTIZKLBB-LBPRGKRZSA-N -1 0 317.345 0.586 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)COCCOc1ccccc1 ZINC000299747599 534526495 /nfs/dbraw/zinc/52/64/95/534526495.db2.gz DHORCUYUSWOLSW-ZDUSSCGKSA-N -1 0 309.318 0.394 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000299750485 534539932 /nfs/dbraw/zinc/53/99/32/534539932.db2.gz NOAWKIQKRDJONV-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000262091468 526333205 /nfs/dbraw/zinc/33/32/05/526333205.db2.gz GMPRFDVFXFNKGA-CYBMUJFWSA-N -1 0 316.317 0.257 50 0 DCAARM CC(=O)N[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000299747494 526832041 /nfs/dbraw/zinc/83/20/41/526832041.db2.gz DEGGTRIQWJKKKZ-UONOGXRCSA-N -1 0 320.345 0.566 50 0 DCAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000261676605 545976568 /nfs/dbraw/zinc/97/65/68/545976568.db2.gz HQMQLXIYIDTYAV-ZIBATOQPSA-N -1 0 321.329 0.917 50 0 DCAARM CCC(F)(F)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940399 548747258 /nfs/dbraw/zinc/74/72/58/548747258.db2.gz ITTXDCLVPGFNMD-HLTSFMKQSA-N -1 0 302.281 0.844 50 0 DCAARM N=c1nn[n-]n1CC(=O)N1CCCC[C@H]1c1cccc(F)c1 ZINC000952982174 685602096 /nfs/dbraw/zinc/60/20/96/685602096.db2.gz QFCIXUQHIFDEGE-LBPRGKRZSA-N -1 0 304.329 0.979 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)cc1F ZINC001704302644 1179965797 /nfs/dbraw/zinc/96/57/97/1179965797.db2.gz BJQLHOWUCVFXOH-JQWIXIFHSA-N -1 0 317.338 0.590 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](O)C2)c1 ZINC001704305086 1179968500 /nfs/dbraw/zinc/96/85/00/1179968500.db2.gz QKGHUHUVHNNCFS-NWDGAFQWSA-N -1 0 313.375 0.760 50 0 DCAARM CO[C@H](CS(=O)(=O)[N-]c1cnc(C(N)=O)s1)C(C)C ZINC000952880082 768945551 /nfs/dbraw/zinc/94/55/51/768945551.db2.gz BOAQHCLMOFURDL-SSDOTTSWSA-N -1 0 307.397 0.655 50 0 DCAARM CCC[C@@H](NC(=O)Cn1c2ccccc2[nH]c1=O)c1nnn[n-]1 ZINC000089949614 185271070 /nfs/dbraw/zinc/27/10/70/185271070.db2.gz SQNCCRITWAJAFU-SNVBAGLBSA-N -1 0 315.337 0.500 50 0 DCAARM O=C(N[C@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2)cc1[O-] ZINC000072857106 303980942 /nfs/dbraw/zinc/98/09/42/303980942.db2.gz UCNKNPJUARPDLC-JTQLQIEISA-N -1 0 321.358 0.495 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299748816 530033276 /nfs/dbraw/zinc/03/32/76/530033276.db2.gz IHGCXBVHPRELIM-QWRGUYRKSA-N -1 0 324.358 0.205 50 0 DCAARM NC(=O)NCC(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072410087 191154633 /nfs/dbraw/zinc/15/46/33/191154633.db2.gz HVWMACIYFLRORR-UHFFFAOYSA-N -1 0 321.333 0.180 50 0 DCAARM CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)[O-])n1nnc2ccccc2c1=O ZINC000002199786 180915487 /nfs/dbraw/zinc/91/54/87/180915487.db2.gz VVOFXJZMSNYBFE-CABZTGNLSA-N -1 0 318.333 0.578 50 0 DCAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003291097 181000926 /nfs/dbraw/zinc/00/09/26/181000926.db2.gz DXLMTYLWTFEJHA-SNVBAGLBSA-N -1 0 313.331 0.696 50 0 DCAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)[nH]c1=O ZINC000003863586 181050084 /nfs/dbraw/zinc/05/00/84/181050084.db2.gz BIKJSVALRAWGNY-VIFPVBQESA-N -1 0 320.257 0.046 50 0 biogenic DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000088376623 545711874 /nfs/dbraw/zinc/71/18/74/545711874.db2.gz WBKKGTIIPUKPAE-SNVBAGLBSA-N -1 0 323.729 0.953 50 0 DCAARM O=C([O-])C1CN(c2ncccn2)CCN(c2ncccn2)C1 ZINC000097334238 304042906 /nfs/dbraw/zinc/04/29/06/304042906.db2.gz HBZGSGBWRPEBBX-UHFFFAOYSA-N -1 0 300.322 0.294 50 0 DCAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)c(OC)c1 ZINC000004998553 181188135 /nfs/dbraw/zinc/18/81/35/181188135.db2.gz QLYPCKLJWYLYLU-JTQLQIEISA-N -1 0 303.278 0.674 50 0 DCAARM CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237174198 202177130 /nfs/dbraw/zinc/17/71/30/202177130.db2.gz PBLYXKQXCALJEY-WXJAXGNASA-N -1 0 302.330 0.993 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnc2ccccn2c1=O ZINC000238047090 304104606 /nfs/dbraw/zinc/10/46/06/304104606.db2.gz RJKVHDWREWKSKG-NSHDSACASA-N -1 0 301.302 0.774 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000262179696 304111657 /nfs/dbraw/zinc/11/16/57/304111657.db2.gz WKALXSXLUUAADM-NSHDSACASA-N -1 0 303.380 0.810 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000262198007 304111320 /nfs/dbraw/zinc/11/13/20/304111320.db2.gz ZQHQKXLFSQDPFG-JTQLQIEISA-N -1 0 323.349 0.317 50 0 DCAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCCCN1CCOCC1 ZINC000006731967 181379210 /nfs/dbraw/zinc/37/92/10/181379210.db2.gz YDYONXSOUBSUGG-WUCCLRPBSA-N -1 0 324.421 0.962 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(c2cc(OC)nc(N)n2)C1 ZINC000092099508 193158119 /nfs/dbraw/zinc/15/81/19/193158119.db2.gz PNSRQVHATUNQRB-AWEZNQCLSA-N -1 0 310.354 0.775 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCc1cccnc1 ZINC000223902199 201661093 /nfs/dbraw/zinc/66/10/93/201661093.db2.gz BNEVASDQNPWYTF-OLZOCXBDSA-N -1 0 308.334 0.389 50 0 DCAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1COCCO1 ZINC000263333663 203457593 /nfs/dbraw/zinc/45/75/93/203457593.db2.gz MWZQNDYYJUOQBF-CYBMUJFWSA-N -1 0 309.318 0.468 50 0 DCAARM C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000008316060 181546337 /nfs/dbraw/zinc/54/63/37/181546337.db2.gz VSEQOHQIPUQVGA-QMMMGPOBSA-N -1 0 300.336 0.140 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000018169736 182095593 /nfs/dbraw/zinc/09/55/93/182095593.db2.gz ABFHOVXTVRLVQZ-CMPLNLGQSA-N -1 0 302.286 0.802 50 0 DCAARM CCOC(=O)c1c[nH]nc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020615818 182239094 /nfs/dbraw/zinc/23/90/94/182239094.db2.gz JIBGGHCOXLBNDD-UHFFFAOYSA-N -1 0 307.266 0.270 50 0 DCAARM CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000037437280 182893581 /nfs/dbraw/zinc/89/35/81/182893581.db2.gz ZDYBCXAVYYOIHX-GHMZBOCLSA-N -1 0 318.395 0.124 50 0 DCAARM O=C([O-])[C@]1(NC(=O)[C@@H]2COc3ccccc3O2)CCSC1 ZINC000043503662 304213816 /nfs/dbraw/zinc/21/38/16/304213816.db2.gz DSQHOEUAIARHHO-FZMZJTMJSA-N -1 0 309.343 0.903 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N(CCc2nc(-c3cccnc3)no2)C1 ZINC000065432178 184344304 /nfs/dbraw/zinc/34/43/04/184344304.db2.gz UBLQDGFZWUZIGT-SNVBAGLBSA-N -1 0 302.290 0.607 50 0 DCAARM CCn1nnc(-c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)n1 ZINC000065397188 184336034 /nfs/dbraw/zinc/33/60/34/184336034.db2.gz YMIBWZCJXFWQTR-JTQLQIEISA-N -1 0 301.306 0.798 50 0 DCAARM CSCC[C@H](NC(=O)c1cnn2cc(C)cnc12)C(=O)[O-] ZINC000426575119 257246419 /nfs/dbraw/zinc/24/64/19/257246419.db2.gz ZZFZTMRGZICDPK-JTQLQIEISA-N -1 0 308.363 0.974 50 0 DCAARM Cc1[nH]c(=O)c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c(C)c1C ZINC000426491011 257248364 /nfs/dbraw/zinc/24/83/64/257248364.db2.gz GKUSWHCXMZJRRT-NSHDSACASA-N -1 0 318.333 0.861 50 0 DCAARM Cn1c(CCNC(=O)Cc2n[nH]c(=O)[n-]2)nc2ccccc21 ZINC000426477196 257249406 /nfs/dbraw/zinc/24/94/06/257249406.db2.gz JRWZUSPMRVDJEX-UHFFFAOYSA-N -1 0 300.322 0.298 50 0 DCAARM CC[C@H](Sc1ccnc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-] ZINC000010217114 395685883 /nfs/dbraw/zinc/68/58/83/395685883.db2.gz ZYONSWDJAKVKEL-ZETCQYMHSA-N -1 0 309.347 0.588 50 0 DCAARM COc1cc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc(OC)c1 ZINC000012990320 395688304 /nfs/dbraw/zinc/68/83/04/395688304.db2.gz ZUCSRVYXUHPIDI-UHFFFAOYSA-N -1 0 319.317 0.583 50 0 DCAARM C/C=C/Cn1c(SCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000013512280 395688579 /nfs/dbraw/zinc/68/85/79/395688579.db2.gz SVRDUAQCINNXIE-ONEGZZNKSA-N -1 0 310.335 0.176 50 0 DCAARM COC(=O)COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1OC ZINC000013899394 395688903 /nfs/dbraw/zinc/68/89/03/395688903.db2.gz ZSVISGLRKBGPLW-UITAMQMPSA-N -1 0 306.274 0.427 50 0 DCAARM CCOC(=O)c1nc(N)c(=O)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000000054532 395679636 /nfs/dbraw/zinc/67/96/36/395679636.db2.gz JSRKTFHQJWEAAH-UHFFFAOYSA-N -1 0 304.262 0.085 50 0 DCAARM C[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000000115607 395679772 /nfs/dbraw/zinc/67/97/72/395679772.db2.gz MTYLPHNWVRTVTB-LURJTMIESA-N -1 0 310.310 0.717 50 0 DCAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N(C)CCO ZINC000000168069 395679975 /nfs/dbraw/zinc/67/99/75/395679975.db2.gz NYYAHTIJXTWLML-GQCTYLIASA-N -1 0 315.347 0.406 50 0 biogenic DCAARM Cc1ccc2nc(NC3=N[C@@H](CC(=O)[O-])C(=O)N3)nc(C)c2c1 ZINC000000198993 395680097 /nfs/dbraw/zinc/68/00/97/395680097.db2.gz OHBOLJGIJSNQJX-NSHDSACASA-N -1 0 313.317 0.988 50 0 biogenic DCAARM CCC(=O)NC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002690718 395681762 /nfs/dbraw/zinc/68/17/62/395681762.db2.gz ZJTZJGFCBGFHQC-UHFFFAOYSA-N -1 0 301.393 0.589 50 0 DCAARM C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000035275766 395720400 /nfs/dbraw/zinc/72/04/00/395720400.db2.gz TUEIPMHTDAGGRN-SNVBAGLBSA-N -1 0 309.347 0.948 50 0 DCAARM CCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OC ZINC000097212491 395756045 /nfs/dbraw/zinc/75/60/45/395756045.db2.gz MKZIQNQHAQHYDI-SNVBAGLBSA-N -1 0 311.363 0.571 50 0 DCAARM CC(C)[C@@H](NC(=O)c1cc(=O)c2cccc(F)c2[n-]1)C(N)=O ZINC000097674413 395759776 /nfs/dbraw/zinc/75/97/76/395759776.db2.gz KHNPFXMEJPBSPM-GFCCVEGCSA-N -1 0 305.309 0.907 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000100057534 395762550 /nfs/dbraw/zinc/76/25/50/395762550.db2.gz PLHWYAWDTNCCGB-VHSXEESVSA-N -1 0 305.265 0.206 50 0 DCAARM CCCCNC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] ZINC000101362388 395764105 /nfs/dbraw/zinc/76/41/05/395764105.db2.gz SDSIXAOIDRCIHR-KHQFGBGNSA-N -1 0 315.395 0.601 50 0 DCAARM Cc1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)s1 ZINC000101761726 395767288 /nfs/dbraw/zinc/76/72/88/395767288.db2.gz YONYCEBYSHKSAP-QMMMGPOBSA-N -1 0 320.374 0.598 50 0 DCAARM Cc1cccc(OCC(=O)NCCn2[n-]c(=O)ccc2=O)c1C ZINC000067713802 396031714 /nfs/dbraw/zinc/03/17/14/396031714.db2.gz UUEHXPWLPDFCAX-UHFFFAOYSA-N -1 0 317.345 0.761 50 0 DCAARM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccsc1 ZINC000252479638 396020076 /nfs/dbraw/zinc/02/00/76/396020076.db2.gz BJBATGZFRUTXQF-IUCAKERBSA-N -1 0 319.404 0.934 50 0 DCAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000262092303 396098088 /nfs/dbraw/zinc/09/80/88/396098088.db2.gz HFVYDGHEEVPQQE-VHSXEESVSA-N -1 0 323.349 0.315 50 0 DCAARM CCc1nccn1CC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000072474132 396131480 /nfs/dbraw/zinc/13/14/80/396131480.db2.gz KXHIYYFDVSGYTM-ZDUSSCGKSA-N -1 0 303.322 0.379 50 0 DCAARM Cc1cc(C)cc([C@@H](NC(=O)c2ccc(=O)n(C)n2)C(=O)[O-])c1 ZINC000262875483 396189154 /nfs/dbraw/zinc/18/91/54/396189154.db2.gz BIARXEDKPDEPHR-CQSZACIVSA-N -1 0 315.329 0.953 50 0 DCAARM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC000183441269 396270045 /nfs/dbraw/zinc/27/00/45/396270045.db2.gz AVIZVCPGVVQAAS-WDEREUQCSA-N -1 0 320.397 0.553 50 0 DCAARM C[C@H](NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1)C(=O)[O-] ZINC000263413151 396216464 /nfs/dbraw/zinc/21/64/64/396216464.db2.gz JILACBAOQHGQFW-DCAQKATOSA-N -1 0 307.350 0.898 50 0 DCAARM Cc1cc(-c2noc(CNS(=O)(=O)N3CCCC3)n2)no1 ZINC000585149282 396642228 /nfs/dbraw/zinc/64/22/28/396642228.db2.gz FSAAAYXVRWQUTE-UHFFFAOYSA-N -1 0 313.339 0.463 50 0 DCAARM O=C([O-])c1coc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000262416077 158811772 /nfs/dbraw/zinc/81/17/72/158811772.db2.gz ZCNFWBLIAVHULJ-JTQLQIEISA-N -1 0 313.331 0.770 50 0 DCAARM Cc1c(C(=O)[N-]N2CC(=O)NC2=O)oc2c1C(=O)CC(C)(C)C2 ZINC000044946108 415235813 /nfs/dbraw/zinc/23/58/13/415235813.db2.gz FGICOIKRNNYXPK-UHFFFAOYSA-N -1 0 319.317 0.940 50 0 DCAARM NC(=O)c1cccc(OCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269205485 415249278 /nfs/dbraw/zinc/24/92/78/415249278.db2.gz UABFXQMKVXFNOS-LLVKDONJSA-N -1 0 306.318 0.488 50 0 DCAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(N)=O)nnn32)cc1 ZINC000101353791 415592748 /nfs/dbraw/zinc/59/27/48/415592748.db2.gz PFNWJVKOSNUGNQ-JTQLQIEISA-N -1 0 315.289 0.369 50 0 DCAARM CC(=O)N[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000299777861 416067238 /nfs/dbraw/zinc/06/72/38/416067238.db2.gz CRJAJSNKNAYPRT-AWEZNQCLSA-N -1 0 319.361 0.924 50 0 DCAARM O=C([O-])c1ccc(I)cc1-n1cnnn1 ZINC000583650879 416479967 /nfs/dbraw/zinc/47/99/67/416479967.db2.gz LFFNGILWJMASGU-UHFFFAOYSA-N -1 0 316.058 0.965 50 0 DCAARM CN(C)c1cccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000584037735 416495849 /nfs/dbraw/zinc/49/58/49/416495849.db2.gz KGSOQPDBKIQWJY-LBPRGKRZSA-N -1 0 314.363 0.227 50 0 DCAARM COCCOc1cccc(C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC000585130510 416519912 /nfs/dbraw/zinc/51/99/12/416519912.db2.gz SHDANBYYIQNIKP-UHFFFAOYSA-N -1 0 307.306 0.660 50 0 DCAARM O=C([O-])CN1CC[C@@H](n2c(=O)sc3ccccc3c2=O)C1=O ZINC000663220105 418001166 /nfs/dbraw/zinc/00/11/66/418001166.db2.gz NPAHYPJUSANQNR-SECBINFHSA-N -1 0 320.326 0.281 50 0 DCAARM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745524 418049427 /nfs/dbraw/zinc/04/94/27/418049427.db2.gz FOWDQUCFRXYNTI-VIFPVBQESA-N -1 0 308.338 0.601 50 0 DCAARM Cc1nc(-c2cccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2)no1 ZINC000299748811 229390653 /nfs/dbraw/zinc/39/06/53/229390653.db2.gz IHDJCDSRCHPXRU-GFCCVEGCSA-N -1 0 317.301 0.971 50 0 DCAARM Cc1nc(-c2cccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)no1 ZINC000299753913 229399614 /nfs/dbraw/zinc/39/96/14/229399614.db2.gz ZTQFHJROTFZSFX-GFCCVEGCSA-N -1 0 317.301 0.971 50 0 DCAARM CC1CCN(Cc2c(C(=O)[O-])nnn2-c2nonc2N)CC1 ZINC000000619909 278548438 /nfs/dbraw/zinc/54/84/38/278548438.db2.gz FTFQJIHTGAJLTO-UHFFFAOYSA-N -1 0 307.314 0.163 50 0 DCAARM O=C([O-])[C@H](CNS(=O)(=O)c1cccnc1)C1CCOCC1 ZINC000562994653 288614240 /nfs/dbraw/zinc/61/42/40/288614240.db2.gz YVXPPKJYVGDGAG-GFCCVEGCSA-N -1 0 314.363 0.487 50 0 DCAARM CN(CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000262310467 289468817 /nfs/dbraw/zinc/46/88/17/289468817.db2.gz BKJBRJYTNRTWRN-MXWKQRLJSA-N -1 0 318.395 0.122 50 0 DCAARM CN1C(=O)c2cccc3c(N)c(S(=O)(=O)[O-])cc(c32)C1=O ZINC000004836812 289858945 /nfs/dbraw/zinc/85/89/45/289858945.db2.gz TWYFYMSPRMAKNI-UHFFFAOYSA-N -1 0 306.299 0.895 50 0 DCAARM CS(=O)(=O)c1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000072144630 295556328 /nfs/dbraw/zinc/55/63/28/295556328.db2.gz JRQIBSZSQPSFMH-GFCCVEGCSA-N -1 0 313.375 0.766 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000268967703 298208189 /nfs/dbraw/zinc/20/81/89/298208189.db2.gz DOWCDYIFJPOCMZ-DGCLKSJQSA-N -1 0 304.346 0.967 50 0 DCAARM Cc1cnc(C)c(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095358208 302337815 /nfs/dbraw/zinc/33/78/15/302337815.db2.gz XPMHLTHIHFZLQJ-LBPRGKRZSA-N -1 0 318.377 0.995 50 0 DCAARM NC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000299742237 303265316 /nfs/dbraw/zinc/26/53/16/303265316.db2.gz JCQYTEUCUMZFQE-NWDGAFQWSA-N -1 0 305.334 0.719 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000387986127 333191375 /nfs/dbraw/zinc/19/13/75/333191375.db2.gz RWRVISJWLYTXSD-QDOCKXBDSA-N -1 0 303.314 0.947 50 0 DCAARM COC(=O)c1ccc(OC)c(CSc2n[nH]c(=O)[n-]c2=O)c1 ZINC000071405395 337366865 /nfs/dbraw/zinc/36/68/65/337366865.db2.gz XYMODKPJLPCATR-UHFFFAOYSA-N -1 0 323.330 0.958 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000299748609 534539294 /nfs/dbraw/zinc/53/92/94/534539294.db2.gz HRFYZGSXBZEGML-CYBMUJFWSA-N -1 0 316.313 0.795 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000262062587 526288395 /nfs/dbraw/zinc/28/83/95/526288395.db2.gz BXYVKTZHQXPKMQ-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000248846378 526289858 /nfs/dbraw/zinc/28/98/58/526289858.db2.gz AQKCDBNEHREWCE-RNSXUZJQSA-N -1 0 324.283 0.907 50 0 DCAARM NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000236298958 545950974 /nfs/dbraw/zinc/95/09/74/545950974.db2.gz WXRFIGFQISQJTB-BDAKNGLRSA-N -1 0 312.347 0.773 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)Cn2cc(-c3ccccc3)nn2)CCO1 ZINC000262071583 602352689 /nfs/dbraw/zinc/35/26/89/602352689.db2.gz IVUZJQCJZNGGTR-CYBMUJFWSA-N -1 0 316.317 0.257 50 0 DCAARM C[C@]1(NC(=O)Cc2cccc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC000262104568 604676569 /nfs/dbraw/zinc/67/65/69/604676569.db2.gz DVELFDODJIWQSJ-AWEZNQCLSA-N -1 0 311.359 0.621 50 0 DCAARM Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@](C)(O)C(=O)[O-])c12 ZINC000262558259 662478195 /nfs/dbraw/zinc/47/81/95/662478195.db2.gz VNWDAKAPIUKGHU-CQSZACIVSA-N -1 0 306.322 0.151 50 0 DCAARM CCCn1cc(CN(C)C(=O)c2c(C(=O)[O-])cnn2C)cn1 ZINC000012397570 666357374 /nfs/dbraw/zinc/35/73/74/666357374.db2.gz OZQZOOKJKKSOHM-UHFFFAOYSA-N -1 0 305.338 0.997 50 0 DCAARM [NH3+]CCc1ccc(C(=O)N2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)cc1 ZINC001704303860 1179965936 /nfs/dbraw/zinc/96/59/36/1179965936.db2.gz KDJMICPDERUJMV-IYBDPMFKSA-N -1 0 318.329 0.189 50 0 DCAARM Cc1cnc(N2CCc3c(c(C(=O)[O-])nn3C)C2)nc1N(C)C ZINC001704327769 1179974078 /nfs/dbraw/zinc/97/40/78/1179974078.db2.gz GDRJKQMFOHGZNM-UHFFFAOYSA-N -1 0 316.365 0.845 50 0 DCAARM Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704339706 1179978798 /nfs/dbraw/zinc/97/87/98/1179978798.db2.gz JLBQQBPTKJODLJ-GXSJLCMTSA-N -1 0 317.338 0.590 50 0 DCAARM Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c(C)s1 ZINC001704344433 1179980385 /nfs/dbraw/zinc/98/03/85/1179980385.db2.gz QDIHKWXNBPLTKH-VHSXEESVSA-N -1 0 319.404 0.821 50 0 DCAARM Cc1cc(=O)n2nc(Cc3nnc([C@@H]4CCOC4)[nH]3)[n-]c2n1 ZINC000825138862 758798308 /nfs/dbraw/zinc/79/83/08/758798308.db2.gz CWAIEFTZLRZASF-MRVPVSSYSA-N -1 0 301.310 0.351 50 0 DCAARM N=c1nn[n-]n1CC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000827929349 758902295 /nfs/dbraw/zinc/90/22/95/758902295.db2.gz NWGNWHFSDRKXCY-ZDUSSCGKSA-N -1 0 300.366 0.882 50 0 DCAARM N=c1nn[n-]n1CC(=O)NCc1csc(-c2cccs2)n1 ZINC000952862875 768922192 /nfs/dbraw/zinc/92/21/92/768922192.db2.gz RFBIWKXHNQCBEL-UHFFFAOYSA-N -1 0 321.391 0.587 50 0 DCAARM N=c1nn[n-]n1CC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000952868830 768925504 /nfs/dbraw/zinc/92/55/04/768925504.db2.gz HPMGLKBCVOSHIE-NSHDSACASA-N -1 0 322.394 0.355 50 0 DCAARM CC(C)CN1CCN(C(=O)c2[nH]cnc2C(=O)[O-])[C@@H](C)C1=O ZINC001506397554 1017253446 /nfs/dbraw/zinc/25/34/46/1017253446.db2.gz UNXSIVGPPSIHTE-VIFPVBQESA-N -1 0 308.338 0.437 50 0 DCAARM Cn1nccc1C(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] ZINC001506401300 1017255585 /nfs/dbraw/zinc/25/55/85/1017255585.db2.gz YWTRDLVYPWSZLS-LBPRGKRZSA-N -1 0 303.318 0.820 50 0 DCAARM COc1ccccc1CNC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000095470259 185372781 /nfs/dbraw/zinc/37/27/81/185372781.db2.gz AEVOHQUHVCNNKI-UHFFFAOYSA-N -1 0 316.313 0.872 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000071280289 190952252 /nfs/dbraw/zinc/95/22/52/190952252.db2.gz BWONXPRRGAISFT-MNOVXSKESA-N -1 0 301.306 0.958 50 0 DCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cc3ccccc3o2)CCN1 ZINC000071747472 191021023 /nfs/dbraw/zinc/02/10/23/191021023.db2.gz JJRONOSKPOEJFK-JTQLQIEISA-N -1 0 310.331 0.480 50 0 DCAARM CCCc1nc2c(cnn2C)c(N[C@@H](C)c2n[nH]c(=O)[n-]2)n1 ZINC000072135310 191046784 /nfs/dbraw/zinc/04/67/84/191046784.db2.gz KNLIXRGYOXGGMC-ZETCQYMHSA-N -1 0 302.342 0.900 50 0 DCAARM Nc1ncccc1CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072160900 191062630 /nfs/dbraw/zinc/06/26/30/191062630.db2.gz LRMFPWWBDRYTKF-UHFFFAOYSA-N -1 0 301.350 0.893 50 0 DCAARM COc1nccnc1N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072428491 191161100 /nfs/dbraw/zinc/16/11/00/191161100.db2.gz MHBUWNZJOWAKIL-UHFFFAOYSA-N -1 0 303.322 0.762 50 0 DCAARM CNc1ccnc(N2CCC(C(=O)[O-])(n3cccn3)CC2)n1 ZINC000072475239 191177944 /nfs/dbraw/zinc/17/79/44/191177944.db2.gz VEVPDPLHSQZZHP-UHFFFAOYSA-N -1 0 302.338 0.795 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000004031423 181065003 /nfs/dbraw/zinc/06/50/03/181065003.db2.gz PLHWYAWDTNCCGB-ZJUUUORDSA-N -1 0 305.265 0.206 50 0 DCAARM CCOc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000004380771 181104016 /nfs/dbraw/zinc/10/40/16/181104016.db2.gz UMDBHGHZVHNQDX-WDEREUQCSA-N -1 0 317.301 0.076 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2 ZINC000004893453 181169036 /nfs/dbraw/zinc/16/90/36/181169036.db2.gz NCSPAOJVBXCTFA-STQMWFEESA-N -1 0 323.308 0.830 50 0 DCAARM Cc1ccc(C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])o1 ZINC000005547654 181256291 /nfs/dbraw/zinc/25/62/91/181256291.db2.gz VJKGDEVIJQIDSB-LNLATYFQSA-N -1 0 324.358 0.833 50 0 DCAARM O=C([O-])C[N@@H+]1CCC[C@]2(C(=O)[O-])CN(c3cnccn3)CC[C@@H]12 ZINC000072478531 304067532 /nfs/dbraw/zinc/06/75/32/304067532.db2.gz FDMFGTUFAFAAPK-ABAIWWIYSA-N -1 0 320.349 0.307 50 0 DCAARM CCn1cc(C(=O)NCC(=O)[O-])c(=O)c2cc3c(cc21)OCO3 ZINC000006645556 181364397 /nfs/dbraw/zinc/36/43/97/181364397.db2.gz YSOKVLTWXDZSLT-UHFFFAOYSA-N -1 0 318.285 0.565 50 0 biogenic DCAARM NC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000016626401 182054086 /nfs/dbraw/zinc/05/40/86/182054086.db2.gz NYMNIGPPQHEIJU-UHFFFAOYSA-N -1 0 318.376 0.332 50 0 DCAARM O=C([O-])CNC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000016651810 182055915 /nfs/dbraw/zinc/05/59/15/182055915.db2.gz YIINUNXFEAAUDC-UHFFFAOYSA-N -1 0 318.376 0.347 50 0 DCAARM O=c1nc(NCCN2CCOCC2)[n-]nc1-c1ccccc1 ZINC000016675920 182057602 /nfs/dbraw/zinc/05/76/02/182057602.db2.gz HBSSOIWCCZYDRH-UHFFFAOYSA-N -1 0 301.350 0.576 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000018159128 182095225 /nfs/dbraw/zinc/09/52/25/182095225.db2.gz WNGPSKSMZMUCIF-NXEZZACHSA-N -1 0 321.720 0.639 50 0 DCAARM O=C([O-])CCc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000020436370 182217480 /nfs/dbraw/zinc/21/74/80/182217480.db2.gz XJBMZNPNBBKHSD-UHFFFAOYSA-N -1 0 315.347 0.430 50 0 DCAARM Cc1ccc2c(ccn2CCC(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000040309512 183053257 /nfs/dbraw/zinc/05/32/57/183053257.db2.gz NOCNLYXQJLOTOA-UHFFFAOYSA-N -1 0 317.345 0.657 50 0 biogenic DCAARM CN(C[C@@H]1COCCO1)c1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065461430 184348878 /nfs/dbraw/zinc/34/88/78/184348878.db2.gz NHRMWFRITKHTIS-SNVBAGLBSA-N -1 0 318.333 0.762 50 0 DCAARM CCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000065484455 184352729 /nfs/dbraw/zinc/35/27/29/184352729.db2.gz QGPBNPSLIMWZOV-UHFFFAOYSA-N -1 0 315.347 0.689 50 0 DCAARM C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1COc2ccccc2O1 ZINC000317833071 257237385 /nfs/dbraw/zinc/23/73/85/257237385.db2.gz BPRQVABQZAZUDK-ZDUSSCGKSA-N -1 0 308.334 0.301 50 0 DCAARM Cc1cccc([C@@H](NC(=O)CN2CCN(C)C2=O)C(=O)[O-])c1 ZINC000426641397 257245260 /nfs/dbraw/zinc/24/52/60/257245260.db2.gz QYMCZMDQYPRQSJ-CYBMUJFWSA-N -1 0 305.334 0.604 50 0 DCAARM CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426370989 257253249 /nfs/dbraw/zinc/25/32/49/257253249.db2.gz MOFPUPVRECAIIZ-UHFFFAOYSA-N -1 0 304.285 0.727 50 0 DCAARM COc1ccc(CNC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000011905433 395686967 /nfs/dbraw/zinc/68/69/67/395686967.db2.gz QYJPFMZQXQYVCK-UHFFFAOYSA-N -1 0 306.347 0.582 50 0 DCAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000013320522 395688565 /nfs/dbraw/zinc/68/85/65/395688565.db2.gz PGLQBYMUSHKMEA-PQAZSJQKSA-N -1 0 310.394 0.572 50 0 DCAARM CC(=O)Cn1c2ccccc2n2nc(CCC(=O)[O-])c(=O)nc12 ZINC000000090517 395679757 /nfs/dbraw/zinc/67/97/57/395679757.db2.gz AZYWKIIWRUIEAR-UHFFFAOYSA-N -1 0 314.301 0.650 50 0 DCAARM NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000214401 395680024 /nfs/dbraw/zinc/68/00/24/395680024.db2.gz MWRFKQKVOHOVAF-VXGBXAGGSA-N -1 0 324.358 0.940 50 0 DCAARM NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000214398 395680093 /nfs/dbraw/zinc/68/00/93/395680093.db2.gz MWRFKQKVOHOVAF-NWDGAFQWSA-N -1 0 324.358 0.940 50 0 DCAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCN(C=O)CC2)cc1 ZINC000002582442 395681648 /nfs/dbraw/zinc/68/16/48/395681648.db2.gz JBQAKQHDYYGXLQ-UHFFFAOYSA-N -1 0 311.363 0.167 50 0 DCAARM CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)[N-]C(=O)NC2=O)C1 ZINC000003189462 395682297 /nfs/dbraw/zinc/68/22/97/395682297.db2.gz YSGGTTSALQBGFJ-RFAUZJTJSA-N -1 0 309.366 0.403 50 0 DCAARM Cn1cc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)cn1 ZINC000036983542 395725769 /nfs/dbraw/zinc/72/57/69/395725769.db2.gz SYYGFKYEYCEAEH-UHFFFAOYSA-N -1 0 307.331 0.870 50 0 DCAARM CCN(CCC(=O)[O-])C(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000038022333 395730708 /nfs/dbraw/zinc/73/07/08/395730708.db2.gz BJHQERIRPYKOPQ-SNVBAGLBSA-N -1 0 306.384 0.124 50 0 DCAARM CC(C)(C(=O)[O-])c1cnc(N2CCC2)nc1N1CCOCC1 ZINC000096162786 395746757 /nfs/dbraw/zinc/74/67/57/395746757.db2.gz RRVUYYIZRNEWMB-UHFFFAOYSA-N -1 0 306.366 0.886 50 0 DCAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000101007901 395763827 /nfs/dbraw/zinc/76/38/27/395763827.db2.gz COJFVEBCHFRABB-KOLCDFICSA-N -1 0 316.273 0.461 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000100905259 395763895 /nfs/dbraw/zinc/76/38/95/395763895.db2.gz TYIZLMGPWRYNPD-NWDGAFQWSA-N -1 0 315.329 0.629 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000049864862 395834733 /nfs/dbraw/zinc/83/47/33/395834733.db2.gz MZUAOWANJQIGBZ-VXGBXAGGSA-N -1 0 311.721 0.956 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000049864860 395834884 /nfs/dbraw/zinc/83/48/84/395834884.db2.gz MZUAOWANJQIGBZ-NEPJUHHUSA-N -1 0 311.721 0.956 50 0 DCAARM COc1cc(OC)c(C(=O)N[C@H](C)c2nc(=O)[n-][nH]2)cc1OC ZINC000221282335 395850706 /nfs/dbraw/zinc/85/07/06/395850706.db2.gz YAKKFTYYEONICU-SSDOTTSWSA-N -1 0 322.321 0.615 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCO1 ZINC000261737717 396061401 /nfs/dbraw/zinc/06/14/01/396061401.db2.gz NPHSIMODDVVRPF-LBPRGKRZSA-N -1 0 316.317 0.583 50 0 DCAARM CCCc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)o1 ZINC000170609135 396094941 /nfs/dbraw/zinc/09/49/41/396094941.db2.gz HGSBHYWOKAWWSA-UHFFFAOYSA-N -1 0 314.323 0.938 50 0 DCAARM O=C(COC1CCCCC1)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649765 396096684 /nfs/dbraw/zinc/09/66/84/396096684.db2.gz ZJWYBWSDTDPOBA-UHFFFAOYSA-N -1 0 302.352 0.970 50 0 DCAARM CCCCNC(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000071770864 396114071 /nfs/dbraw/zinc/11/40/71/396114071.db2.gz SDSIXAOIDRCIHR-MRTMQBJTSA-N -1 0 315.395 0.601 50 0 DCAARM CC(C)c1nnc(NC(=O)NCCCc2n[nH]c(=O)[n-]2)s1 ZINC000072306268 396130847 /nfs/dbraw/zinc/13/08/47/396130847.db2.gz CUNQARBCTAAJLS-UHFFFAOYSA-N -1 0 311.371 0.827 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H]1c1ccsc1 ZINC000069393549 396077544 /nfs/dbraw/zinc/07/75/44/396077544.db2.gz YDWGYIAEBRFOAK-LLVKDONJSA-N -1 0 305.359 0.962 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000262704963 396174139 /nfs/dbraw/zinc/17/41/39/396174139.db2.gz MHNMOHGHOMUYJY-NSHDSACASA-N -1 0 312.347 0.284 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3cnccn3)n2)CCO1 ZINC000262873883 396189255 /nfs/dbraw/zinc/18/92/55/396189255.db2.gz JVBZOYRJAFEQKW-SNVBAGLBSA-N -1 0 320.330 0.526 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)COCCOc2ccccc2)CCO1 ZINC000262999853 396197217 /nfs/dbraw/zinc/19/72/17/396197217.db2.gz PRKLJJCPLSKPAQ-ZDUSSCGKSA-N -1 0 309.318 0.394 50 0 DCAARM CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000263558560 396220818 /nfs/dbraw/zinc/22/08/18/396220818.db2.gz AKVKSCVSOCSDCN-NXEZZACHSA-N -1 0 324.358 0.668 50 0 DCAARM NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000269086112 396384817 /nfs/dbraw/zinc/38/48/17/396384817.db2.gz MQIRSUZOQONHAR-OQHXTRMZSA-N -1 0 318.329 0.640 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000376784667 396978047 /nfs/dbraw/zinc/97/80/47/396978047.db2.gz NKUHNWLVKYNIHS-NSHDSACASA-N -1 0 319.379 0.046 50 0 DCAARM Cc1nc2[n-]c(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn2c(=O)c1C ZINC000018154197 415154384 /nfs/dbraw/zinc/15/43/84/415154384.db2.gz BAYXKHVUNLXCOL-UWVGGRQHSA-N -1 0 313.317 0.490 50 0 DCAARM Cc1cc(C)n(C[C@H](C)CNC(=O)Cn2[n-]c(=O)ccc2=O)n1 ZINC000048278014 415288110 /nfs/dbraw/zinc/28/81/10/415288110.db2.gz UVLFSKXOPJMCKJ-SNVBAGLBSA-N -1 0 319.365 0.215 50 0 DCAARM Cc1n[nH]c(C)c1[C@@H](NS(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000067640949 415379175 /nfs/dbraw/zinc/37/91/75/415379175.db2.gz UDSXYEZIPVBRNS-SNVBAGLBSA-N -1 0 302.356 0.082 50 0 DCAARM CCn1ncnc1CN1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299781950 416067002 /nfs/dbraw/zinc/06/70/02/416067002.db2.gz IPXCXYHOVKEUBZ-VHSXEESVSA-N -1 0 305.342 0.106 50 0 DCAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1COCCO1 ZINC000263333665 416337894 /nfs/dbraw/zinc/33/78/94/416337894.db2.gz MWZQNDYYJUOQBF-ZDUSSCGKSA-N -1 0 309.318 0.468 50 0 DCAARM Cn1cccc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c1=O ZINC000215377450 416327187 /nfs/dbraw/zinc/32/71/87/416327187.db2.gz JROPSEYMMYRYOG-NSHDSACASA-N -1 0 314.345 0.488 50 0 DCAARM C[C@@H](C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000643432819 417208571 /nfs/dbraw/zinc/20/85/71/417208571.db2.gz BIYVMQVBNNHACC-ZYHUDNBSSA-N -1 0 311.359 0.500 50 0 DCAARM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663091320 417988679 /nfs/dbraw/zinc/98/86/79/417988679.db2.gz JZURLBVNPPCPIM-STQMWFEESA-N -1 0 320.345 0.924 50 0 DCAARM CCCS(=O)(=O)N1CCC(NC(=O)C(C)(C)C(=O)[O-])CC1 ZINC000649241623 418214160 /nfs/dbraw/zinc/21/41/60/418214160.db2.gz LROMERFJXBIEGY-UHFFFAOYSA-N -1 0 320.411 0.418 50 0 DCAARM Cc1ncc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(C)n1 ZINC000655596149 418278858 /nfs/dbraw/zinc/27/88/58/418278858.db2.gz BIARXAQLCREKHE-CYBMUJFWSA-N -1 0 300.318 0.914 50 0 DCAARM COCCn1cnnc1CNC(=O)[C@H](C(=O)[O-])C1CCCCC1 ZINC000299775564 292739516 /nfs/dbraw/zinc/73/95/16/292739516.db2.gz KLQKKUVGODAZMH-CYBMUJFWSA-N -1 0 324.381 0.822 50 0 DCAARM CN1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1ccccc1 ZINC000015670697 290315538 /nfs/dbraw/zinc/31/55/38/290315538.db2.gz BTEGTWJBDTTYTA-LBPRGKRZSA-N -1 0 314.345 0.571 50 0 DCAARM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000135178855 298089520 /nfs/dbraw/zinc/08/95/20/298089520.db2.gz KMFFTNXHWDHDAO-BXKDBHETSA-N -1 0 311.359 0.630 50 0 DCAARM Cc1cnc(C)nc1N1CCC2(CC1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000091586608 302339565 /nfs/dbraw/zinc/33/95/65/302339565.db2.gz HIJSBSSNWMYZDQ-LLVKDONJSA-N -1 0 304.350 0.653 50 0 DCAARM COc1ccc(N2C[C@@H](C(=O)NCC(=O)[O-])CC2=O)c(OC)c1 ZINC000294441139 534017943 /nfs/dbraw/zinc/01/79/43/534017943.db2.gz QUVLZRCMKYNAQU-VIFPVBQESA-N -1 0 322.317 0.258 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 ZINC000262445784 545985883 /nfs/dbraw/zinc/98/58/83/545985883.db2.gz PCUOPFYVCMKHIB-CYBMUJFWSA-N -1 0 305.330 0.866 50 0 DCAARM O=C1[N-]C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)N1 ZINC000106810390 661121979 /nfs/dbraw/zinc/12/19/79/661121979.db2.gz CHDMMMAUCVSAQL-FPLPWBNLSA-N -1 0 308.091 0.952 50 0 DCAARM N=c1nn[n-]n1CC(=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000952982143 685601998 /nfs/dbraw/zinc/60/19/98/685601998.db2.gz QFCIXUQHIFDEGE-GFCCVEGCSA-N -1 0 304.329 0.979 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC001704338089 1179977815 /nfs/dbraw/zinc/97/78/15/1179977815.db2.gz LQYKCJOPSLCUKA-ONGXEEELSA-N -1 0 317.338 0.590 50 0 DCAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@H]1O ZINC001704339860 1179978587 /nfs/dbraw/zinc/97/85/87/1179978587.db2.gz NUKVQIFPVYPUDC-WCBMZHEXSA-N -1 0 319.766 0.796 50 0 DCAARM N=c1nn[n-]n1CC(=O)N(Cc1ccncc1)C1CCCCC1 ZINC000952873515 768937625 /nfs/dbraw/zinc/93/76/25/768937625.db2.gz XWXFHIDSNCQGSZ-UHFFFAOYSA-N -1 0 315.381 0.842 50 0 DCAARM COC[C@@H](c1ccccn1)N(C)C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC001529119754 1014498745 /nfs/dbraw/zinc/49/87/45/1014498745.db2.gz LBSNTTDUQGDICU-LBPRGKRZSA-N -1 0 318.333 0.671 50 0 DCAARM COc1cccc(CO[C@H](C)C(=O)N(C)Cc2nnn[n-]2)c1 ZINC000078914747 185128579 /nfs/dbraw/zinc/12/85/79/185128579.db2.gz BJWLYOAWQRDRLW-SNVBAGLBSA-N -1 0 305.338 0.772 50 0 DCAARM CN1C(=O)CN([N-]C(=O)c2ncoc2-c2cccs2)C1=O ZINC000095456622 185370025 /nfs/dbraw/zinc/37/00/25/185370025.db2.gz AQUXIGLMRVEPKE-UHFFFAOYSA-N -1 0 306.303 0.942 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000071282793 190952309 /nfs/dbraw/zinc/95/23/09/190952309.db2.gz PBWBEQRKDUJXGR-RYUDHWBXSA-N -1 0 318.377 0.872 50 0 DCAARM CC(C)C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000002545144 180933805 /nfs/dbraw/zinc/93/38/05/180933805.db2.gz KYHBJUCZZYAJIQ-LBPRGKRZSA-N -1 0 318.329 0.898 50 0 DCAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)NCCO ZINC000004459787 181110917 /nfs/dbraw/zinc/11/09/17/181110917.db2.gz JDMPWMZBXGXNCV-HYXAFXHYSA-N -1 0 301.320 0.064 50 0 DCAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000050922032 304059339 /nfs/dbraw/zinc/05/93/39/304059339.db2.gz RVBVHJFUHDPWOX-QWRGUYRKSA-N -1 0 303.380 0.667 50 0 DCAARM C[C@H](C(=O)N[C@@H](C)C(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000237421231 202260262 /nfs/dbraw/zinc/26/02/62/202260262.db2.gz FLPZNYUBFUZPCO-NWDGAFQWSA-N -1 0 323.368 0.926 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000263296856 304085118 /nfs/dbraw/zinc/08/51/18/304085118.db2.gz MLSCKUUTYKYHMS-LBPRGKRZSA-N -1 0 316.317 0.583 50 0 DCAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237738662 202342038 /nfs/dbraw/zinc/34/20/38/202342038.db2.gz WRISOOUTVWNZFB-ZETCQYMHSA-N -1 0 307.335 0.926 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC000299746964 304091114 /nfs/dbraw/zinc/09/11/14/304091114.db2.gz BPMLHLOXFUCNHM-JTQLQIEISA-N -1 0 320.349 0.697 50 0 DCAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262753517 238179167 /nfs/dbraw/zinc/17/91/67/238179167.db2.gz KSZKMBITORMJDL-XQQFMLRXSA-N -1 0 315.366 0.663 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000262704040 238179503 /nfs/dbraw/zinc/17/95/03/238179503.db2.gz MAMSVBFQWADHON-ZDUSSCGKSA-N -1 0 313.313 0.922 50 0 DCAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCCCN1CCOCC1 ZINC000006731969 181379296 /nfs/dbraw/zinc/37/92/96/181379296.db2.gz YDYONXSOUBSUGG-CVSAEHQPSA-N -1 0 324.421 0.962 50 0 DCAARM O=C([O-])c1c2c(sc1NC(=O)C(=O)N1CCOCC1)CCC2 ZINC000006760785 181384870 /nfs/dbraw/zinc/38/48/70/181384870.db2.gz BGPYBZJRHOPZNC-UHFFFAOYSA-N -1 0 324.358 0.732 50 0 DCAARM CNc1ncc(C(=O)N2CCC[C@@](CCOC)(C(=O)[O-])C2)cn1 ZINC000091908071 193125102 /nfs/dbraw/zinc/12/51/02/193125102.db2.gz LEPHLYBSUQFAEA-HNNXBMFYSA-N -1 0 322.365 0.862 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000271908775 304135902 /nfs/dbraw/zinc/13/59/02/304135902.db2.gz OZIVZJNPSWMMOF-NSHDSACASA-N -1 0 307.302 0.774 50 0 DCAARM CCOc1ccc(S(=O)(=O)NCC(=O)[O-])cc1OCC ZINC000008390516 181553313 /nfs/dbraw/zinc/55/33/13/181553313.db2.gz HPTQKYWBICPVGW-UHFFFAOYSA-N -1 0 303.336 0.847 50 0 DCAARM O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000030755539 182597193 /nfs/dbraw/zinc/59/71/93/182597193.db2.gz KSSVCKCLSNBZLR-WAYWQWQTSA-N -1 0 304.302 0.738 50 0 DCAARM CCCn1c2ccccc2n(CC(=O)[N-]S(C)(=O)=O)c1=O ZINC000040543871 183099410 /nfs/dbraw/zinc/09/94/10/183099410.db2.gz RFEXMBZSXRRVCT-UHFFFAOYSA-N -1 0 311.363 0.289 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000237957980 257238571 /nfs/dbraw/zinc/23/85/71/257238571.db2.gz HBRREUCVZRJLAH-QMMMGPOBSA-N -1 0 318.251 0.800 50 0 DCAARM Cn1cc(SCC(=O)N[C@H](CO)C(=O)[O-])c2ccccc21 ZINC000426724039 257243459 /nfs/dbraw/zinc/24/34/59/257243459.db2.gz UGYSIGXVYGZYAZ-SNVBAGLBSA-N -1 0 308.359 0.832 50 0 DCAARM NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000426593507 257246415 /nfs/dbraw/zinc/24/64/15/257246415.db2.gz AJIVJWVKLLVINC-ZETCQYMHSA-N -1 0 318.376 0.197 50 0 DCAARM Cc1nc2cc(C)ccn2c1C(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000426518885 257247779 /nfs/dbraw/zinc/24/77/79/257247779.db2.gz ZXYLNCBGROPAJY-UHFFFAOYSA-N -1 0 300.322 0.747 50 0 DCAARM O=C([O-])[C@H]1C=CCN1C(=O)CN1CCOc2ccccc2C1 ZINC000426473533 257249640 /nfs/dbraw/zinc/24/96/40/257249640.db2.gz KYERKXKUMOVELZ-CYBMUJFWSA-N -1 0 302.330 0.733 50 0 DCAARM Cn1cnnc1CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000426358285 257253396 /nfs/dbraw/zinc/25/33/96/257253396.db2.gz IXGUGQUSFOBWDU-ZDUSSCGKSA-N -1 0 314.345 0.786 50 0 DCAARM COc1cc([N-]S(=O)(=O)c2cnc(N)nc2)cc(OC)c1 ZINC000008600338 395684717 /nfs/dbraw/zinc/68/47/17/395684717.db2.gz INJKQIDZKUHGLW-UHFFFAOYSA-N -1 0 310.335 0.877 50 0 DCAARM Cc1[n-]n2c(nc(SCC(N)=O)nc2=O)c1-c1ccccc1 ZINC000009107408 395685225 /nfs/dbraw/zinc/68/52/25/395685225.db2.gz AOLXYGUFDICJDP-UHFFFAOYSA-N -1 0 315.358 0.970 50 0 DCAARM COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000000240046 395680059 /nfs/dbraw/zinc/68/00/59/395680059.db2.gz BGEISYFKCAFHOB-VIFPVBQESA-N -1 0 315.347 0.851 50 0 DCAARM O=C([O-])CCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002332425 395681463 /nfs/dbraw/zinc/68/14/63/395681463.db2.gz GBZORYXUEJLYKC-UHFFFAOYSA-N -1 0 319.317 0.061 50 0 DCAARM CNC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1 ZINC000005082332 395682639 /nfs/dbraw/zinc/68/26/39/395682639.db2.gz DBNBPVRDFDRZLF-UHFFFAOYSA-N -1 0 323.334 0.036 50 0 DCAARM C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000035275763 395720326 /nfs/dbraw/zinc/72/03/26/395720326.db2.gz TUEIPMHTDAGGRN-JTQLQIEISA-N -1 0 309.347 0.948 50 0 DCAARM CCc1nccn1CCC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000096136676 395745596 /nfs/dbraw/zinc/74/55/96/395745596.db2.gz DEWCPQNSHVUIJP-LBPRGKRZSA-N -1 0 317.349 0.597 50 0 DCAARM COc1cc2cc(C(=O)Nc3nnn[n-]3)n(C)c2cc1OC ZINC000096117388 395745841 /nfs/dbraw/zinc/74/58/41/395745841.db2.gz VJZAWMXDHRBTNJ-UHFFFAOYSA-N -1 0 302.294 0.961 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000100165767 395762836 /nfs/dbraw/zinc/76/28/36/395762836.db2.gz IRLFDERRZXNXJQ-ONGXEEELSA-N -1 0 304.258 0.112 50 0 DCAARM CN1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000100511212 395763213 /nfs/dbraw/zinc/76/32/13/395763213.db2.gz QDQGTFOFWWKDEQ-CYBMUJFWSA-N -1 0 317.345 0.264 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)NCCc1ccccc1 ZINC000223556878 395856023 /nfs/dbraw/zinc/85/60/23/395856023.db2.gz KECMMJUEERKBGA-ZIAGYGMSSA-N -1 0 322.361 0.787 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C[C@H]3[C@@H]1C(=O)N(c1cccc([N+](=O)[O-])c1)[C@@H]3[C@H]2O ZINC000256048155 396033547 /nfs/dbraw/zinc/03/35/47/396033547.db2.gz RCDQDAVVBBQHOY-FQIARQCESA-N -1 0 318.285 0.638 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000262027931 396091396 /nfs/dbraw/zinc/09/13/96/396091396.db2.gz YKYYPDUAWBTIQL-ZYHUDNBSSA-N -1 0 310.350 0.090 50 0 DCAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000169785288 396092802 /nfs/dbraw/zinc/09/28/02/396092802.db2.gz CMDUQKUZTVKZMB-SNVBAGLBSA-N -1 0 323.378 0.777 50 0 DCAARM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000169785282 396092821 /nfs/dbraw/zinc/09/28/21/396092821.db2.gz NKGUKFLYMNXNQA-SECBINFHSA-N -1 0 312.355 0.373 50 0 DCAARM CC[C@H](C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000071333648 396112571 /nfs/dbraw/zinc/11/25/71/396112571.db2.gz MFIRDZWODIBWLA-ZUZCIYMTSA-N -1 0 321.377 0.738 50 0 DCAARM Cn1cc(N2CC[C@@H](NC(=O)c3cc(C(=O)[O-])co3)C2=O)cn1 ZINC000262368291 396131241 /nfs/dbraw/zinc/13/12/41/396131241.db2.gz LDHDLAVABVPNBE-SNVBAGLBSA-N -1 0 318.289 0.247 50 0 DCAARM CS(=O)(=O)c1nc(NC(=O)[C@H]2COc3ccccc3C2)n[n-]1 ZINC000069535813 396082005 /nfs/dbraw/zinc/08/20/05/396082005.db2.gz GPRATYNSRLWGRY-SECBINFHSA-N -1 0 322.346 0.398 50 0 DCAARM CN1N=C(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCC1=O ZINC000262805807 396183917 /nfs/dbraw/zinc/18/39/17/396183917.db2.gz NJWWKSRDNZGHSO-UHFFFAOYSA-N -1 0 307.310 0.250 50 0 DCAARM Cn1c(=O)cccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262853464 396187664 /nfs/dbraw/zinc/18/76/64/396187664.db2.gz XOHHXLNFZUUHDQ-UHFFFAOYSA-N -1 0 304.306 0.654 50 0 DCAARM CCCc1noc(CCCC(=O)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC000262971020 396195295 /nfs/dbraw/zinc/19/52/95/396195295.db2.gz LQTLSQJBJHAXNM-JTQLQIEISA-N -1 0 311.338 0.657 50 0 DCAARM CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000263558561 396220815 /nfs/dbraw/zinc/22/08/15/396220815.db2.gz AKVKSCVSOCSDCN-UWVGGRQHSA-N -1 0 324.358 0.668 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccco3)c(=O)[nH]c21 ZINC000585152427 396642217 /nfs/dbraw/zinc/64/22/17/396642217.db2.gz CPEYOGGDANMQHO-ALCCZGGFSA-N -1 0 302.246 0.372 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3ccccn3)c(=O)[nH]c21 ZINC000585152504 396642239 /nfs/dbraw/zinc/64/22/39/396642239.db2.gz TZFVIZPZYPZGEO-TWGQIWQCSA-N -1 0 313.273 0.174 50 0 DCAARM COC[C@H](NC(=O)c1cncc(C(=O)[O-])c1)C1CCOCC1 ZINC000630207235 396960318 /nfs/dbraw/zinc/96/03/18/396960318.db2.gz KITQWUFSBONZLD-ZDUSSCGKSA-N -1 0 308.334 0.951 50 0 DCAARM CCOC(=O)N1CCN([C@H](C(=O)[O-])c2c(C)nn(C)c2C)CC1 ZINC000095380400 285817116 /nfs/dbraw/zinc/81/71/16/285817116.db2.gz CSIJBELCLJKRAB-ZDUSSCGKSA-N -1 0 324.381 0.937 50 0 DCAARM CNC(=O)c1cccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263360630 158875543 /nfs/dbraw/zinc/87/55/43/158875543.db2.gz YHRKDDLIQTYBTM-BETUJISGSA-N -1 0 304.346 0.958 50 0 DCAARM C[C@@H]1CN(c2ccnc(C(=O)NCCC(=O)[O-])c2)C[C@@H](C)O1 ZINC000263566745 158888104 /nfs/dbraw/zinc/88/81/04/158888104.db2.gz GFGWKEYIILAKKB-GHMZBOCLSA-N -1 0 307.350 0.900 50 0 DCAARM COC(=O)c1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1 ZINC000007327449 415137601 /nfs/dbraw/zinc/13/76/01/415137601.db2.gz PNGQMOTVYSGGKJ-UHFFFAOYSA-N -1 0 317.301 0.352 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000268991206 415248523 /nfs/dbraw/zinc/24/85/23/415248523.db2.gz SXCUOCHETHEFIJ-ZDUSSCGKSA-N -1 0 316.317 0.252 50 0 DCAARM Cc1ccsc1[C@@H](CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)[NH+](C)C ZINC000067934418 415390225 /nfs/dbraw/zinc/39/02/25/415390225.db2.gz QEULQJMZMLYMFQ-SNVBAGLBSA-N -1 0 322.390 0.466 50 0 DCAARM O=S(=O)([N-]CC1(O)CCOCC1)c1c(F)cccc1F ZINC000075158056 415436394 /nfs/dbraw/zinc/43/63/94/415436394.db2.gz NPSNHECXNGJMAV-UHFFFAOYSA-N -1 0 307.318 0.785 50 0 DCAARM Cc1cc(C)nc(S[C@@H](C)C(=O)NCCc2nnn[n-]2)n1 ZINC000299768979 416066046 /nfs/dbraw/zinc/06/60/46/416066046.db2.gz KQFSRLWEGWKBPR-VIFPVBQESA-N -1 0 307.383 0.446 50 0 DCAARM CN(CC(=O)N1CCOC[C@@H]1CC(=O)[O-])Cc1ccccn1 ZINC000299796426 416070500 /nfs/dbraw/zinc/07/05/00/416070500.db2.gz NVABWBVDBGOLRQ-ZDUSSCGKSA-N -1 0 307.350 0.216 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000212095872 416326936 /nfs/dbraw/zinc/32/69/36/416326936.db2.gz MTNHVRVNPHORLA-OLZOCXBDSA-N -1 0 322.386 0.720 50 0 DCAARM Cc1ccc(-c2nnn(CC(=O)N3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000237812416 416328872 /nfs/dbraw/zinc/32/88/72/416328872.db2.gz VABINNOSKZOSLL-LBPRGKRZSA-N -1 0 315.333 0.582 50 0 DCAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000583650589 416479938 /nfs/dbraw/zinc/47/99/38/416479938.db2.gz NXWNFWWDMIVEEL-KBPBESRZSA-N -1 0 318.329 0.276 50 0 DCAARM NC(=O)Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000583652318 416481428 /nfs/dbraw/zinc/48/14/28/416481428.db2.gz VCEZCYQFBPAXDN-GFCCVEGCSA-N -1 0 320.345 0.416 50 0 DCAARM C[C@@H](NS(C)(=O)=O)c1nnc([N-]c2ccccc2F)o1 ZINC000585134355 416519873 /nfs/dbraw/zinc/51/98/73/416519873.db2.gz PCRLEFGATRGSNH-SSDOTTSWSA-N -1 0 300.315 1.563 50 0 DCAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)c2nc(N)n[nH]2)c1 ZINC000426578896 416778400 /nfs/dbraw/zinc/77/84/00/416778400.db2.gz YKNOIAXESZOXRD-ZCFIWIBFSA-N -1 0 305.294 0.585 50 0 DCAARM Cc1nn(C)c(C)c1CCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000386939100 417091973 /nfs/dbraw/zinc/09/19/73/417091973.db2.gz QLRIFJZZIILPQJ-UHFFFAOYSA-N -1 0 305.338 0.889 50 0 DCAARM COCc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000654786448 418187654 /nfs/dbraw/zinc/18/76/54/418187654.db2.gz NSRKKMKBUABFOR-LBPRGKRZSA-N -1 0 315.347 0.307 50 0 DCAARM O=C([O-])C[C@@H](NC(=O)CN1CSCC1=O)c1cccs1 ZINC000299753778 229399074 /nfs/dbraw/zinc/39/90/74/229399074.db2.gz ZIALLRGMQCYGFA-MRVPVSSYSA-N -1 0 314.388 0.913 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000218886695 261152244 /nfs/dbraw/zinc/15/22/44/261152244.db2.gz BILNBYJJAPDTSR-XOULXFPDSA-N -1 0 313.741 0.707 50 0 DCAARM COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c1OC ZINC000001236593 295297662 /nfs/dbraw/zinc/29/76/62/295297662.db2.gz IVXJAXDNDTZWLE-LLVKDONJSA-N -1 0 308.334 0.479 50 0 DCAARM Cc1nn(C)c2sc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc12 ZINC000088374697 302792431 /nfs/dbraw/zinc/79/24/31/302792431.db2.gz XEPIKMQSLBGTLQ-SECBINFHSA-N -1 0 309.347 0.869 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1=O ZINC000262446116 302897759 /nfs/dbraw/zinc/89/77/59/302897759.db2.gz UEYZBMRUSKITOL-GDPRMGEGSA-N -1 0 321.333 0.344 50 0 DCAARM NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000036904909 303329038 /nfs/dbraw/zinc/32/90/38/303329038.db2.gz FVEQJAZFSKYTOK-ZETCQYMHSA-N -1 0 318.376 0.332 50 0 DCAARM Cc1oc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000262497120 534537215 /nfs/dbraw/zinc/53/72/15/534537215.db2.gz XPACHTMZVIOLHG-QMMMGPOBSA-N -1 0 316.335 0.172 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cccnc2-n2cccn2)CCO1 ZINC000299752815 534538600 /nfs/dbraw/zinc/53/86/00/534538600.db2.gz VOMRAACFRMWJMX-LLVKDONJSA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])C1(CNC(=O)c2cnc3sccn3c2=O)CCC1 ZINC000126875806 545772738 /nfs/dbraw/zinc/77/27/38/545772738.db2.gz KDEFPAZQYMFYRU-UHFFFAOYSA-N -1 0 307.331 0.741 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccncc2F)C1 ZINC000685941562 548746509 /nfs/dbraw/zinc/74/65/09/548746509.db2.gz ZFRDGIZKUZNDTC-KWQFWETISA-N -1 0 309.297 0.272 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cccc(F)c2)C1 ZINC000685940958 548746574 /nfs/dbraw/zinc/74/65/74/548746574.db2.gz LZCRYYDQYPDIQB-AAEUAGOBSA-N -1 0 322.336 0.806 50 0 DCAARM CS(=O)(=O)CCN(C(=O)c1ccc(C(=O)[O-])cn1)C1CC1 ZINC000833737784 605166723 /nfs/dbraw/zinc/16/67/23/605166723.db2.gz KIFUZFHHWHRIQA-UHFFFAOYSA-N -1 0 312.347 0.429 50 0 DCAARM Cc1cnc2c(cccc2S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1 ZINC000262383649 658077496 /nfs/dbraw/zinc/07/74/96/658077496.db2.gz YYQTZECYPHCYIA-AWEZNQCLSA-N -1 0 324.358 0.657 50 0 DCAARM C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])c1nncn1C ZINC000037040047 670220153 /nfs/dbraw/zinc/22/01/53/670220153.db2.gz UQNXKBSJAVJWGG-ZCFIWIBFSA-N -1 0 316.364 0.614 50 0 DCAARM C[C@H](Cn1cncn1)C(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000952987414 685602468 /nfs/dbraw/zinc/60/24/68/685602468.db2.gz MLXHYTHUEYXLFY-LLVKDONJSA-N -1 0 318.333 0.808 50 0 DCAARM CCn1c2ncc(C(=O)[O-])cc2nc1N1CCN(C)C(=O)[C@@H]1C ZINC001529160006 1014509561 /nfs/dbraw/zinc/50/95/61/1014509561.db2.gz ZEHZPTIDJSPSGD-VIFPVBQESA-N -1 0 317.349 0.816 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000088373587 185247354 /nfs/dbraw/zinc/24/73/54/185247354.db2.gz GGQKMJLWOLWWGD-VIFPVBQESA-N -1 0 313.693 0.994 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000174249299 198310422 /nfs/dbraw/zinc/31/04/22/198310422.db2.gz KTOQJDUMTPKLHU-UKRRQHHQSA-N -1 0 309.387 0.983 50 0 DCAARM O=C([O-])/C=C/C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003308041 181002975 /nfs/dbraw/zinc/00/29/75/181002975.db2.gz HAHZRPHGEPKIEE-VOTSOKGWSA-N -1 0 324.358 0.160 50 0 DCAARM Cc1ccc2c(cc(C(=O)N[C@@H](C)C(=O)NCC(=O)[O-])n2C)c1 ZINC000004000422 181061300 /nfs/dbraw/zinc/06/13/00/181061300.db2.gz ZPZPWAHCRURRQD-JTQLQIEISA-N -1 0 317.345 0.806 50 0 biogenic DCAARM COc1ccc(NC(=O)C[C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000004264019 181089210 /nfs/dbraw/zinc/08/92/10/181089210.db2.gz BFDOTLBPLISOSB-CYBMUJFWSA-N -1 0 308.334 0.809 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000004858157 181164411 /nfs/dbraw/zinc/16/44/11/181164411.db2.gz ZQAOYGLVSPJZGF-UHFFFAOYSA-N -1 0 312.391 0.776 50 0 DCAARM CC[S@](=O)CCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005053150 181198164 /nfs/dbraw/zinc/19/81/64/181198164.db2.gz CAFAHGPCKKNPCZ-LJQANCHMSA-N -1 0 318.420 0.752 50 0 DCAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C(=O)[O-])c1 ZINC000237148137 202167407 /nfs/dbraw/zinc/16/74/07/202167407.db2.gz QMKLDSWKHNKLSU-KGLIPLIRSA-N -1 0 318.373 0.833 50 0 DCAARM Cc1nn(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)c1Cl ZINC000237864141 202373621 /nfs/dbraw/zinc/37/36/21/202373621.db2.gz YWQIDLKCYQDCDQ-SECBINFHSA-N -1 0 301.730 0.465 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)CCOC[C@@H]2CCCO2)CCO1 ZINC000262872960 238183619 /nfs/dbraw/zinc/18/36/19/238183619.db2.gz XXDIUGGRRGCIFW-RYUDHWBXSA-N -1 0 301.339 0.274 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000268931162 238252000 /nfs/dbraw/zinc/25/20/00/238252000.db2.gz AAZHLGCMBFXKMT-AWEZNQCLSA-N -1 0 301.306 0.599 50 0 DCAARM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CCSC1 ZINC000271890709 209300049 /nfs/dbraw/zinc/30/00/49/209300049.db2.gz JXSVRLRBMMUKKM-CQSZACIVSA-N -1 0 322.342 0.708 50 0 DCAARM COCC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000281659705 216453156 /nfs/dbraw/zinc/45/31/56/216453156.db2.gz JWIZJQBDWGZFRI-SECBINFHSA-N -1 0 324.358 0.950 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 ZINC000246743842 304122023 /nfs/dbraw/zinc/12/20/23/304122023.db2.gz HDFKIUSIWBQUNW-BWZBUEFSSA-N -1 0 308.256 0.377 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1c1ccncc1 ZINC000091574205 193074163 /nfs/dbraw/zinc/07/41/63/193074163.db2.gz WRTWYGHJUOICAF-UONOGXRCSA-N -1 0 319.361 0.040 50 0 DCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000299745361 304152529 /nfs/dbraw/zinc/15/25/29/304152529.db2.gz YIIJYRJBMWXCKC-STQMWFEESA-N -1 0 323.370 0.459 50 0 DCAARM CS(=O)(=O)c1cc(CCC(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000019738634 182141491 /nfs/dbraw/zinc/14/14/91/182141491.db2.gz DTJJZJJHGDFFBO-UHFFFAOYSA-N -1 0 306.361 0.511 50 0 DCAARM CSc1ncc(Cl)c(C(=O)[N-]N2CC(=O)NC2=O)n1 ZINC000029019757 182549206 /nfs/dbraw/zinc/54/92/06/182549206.db2.gz JVBHCBGGMAGDFD-UHFFFAOYSA-N -1 0 301.715 0.049 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3F)c(=O)c1-2 ZINC000100061349 193793940 /nfs/dbraw/zinc/79/39/40/193793940.db2.gz IUVQLEITIGXDTB-ZJUUUORDSA-N -1 0 305.265 0.206 50 0 DCAARM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-] ZINC000032917532 182679796 /nfs/dbraw/zinc/67/97/96/182679796.db2.gz DRQWPMLPXFLRBF-LBPRGKRZSA-N -1 0 312.347 0.569 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328594739 304199321 /nfs/dbraw/zinc/19/93/21/304199321.db2.gz AQHKWXPGOGFUQB-FXMSTWTQSA-N -1 0 319.313 0.783 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000299743169 304200302 /nfs/dbraw/zinc/20/03/02/304200302.db2.gz MGFSKRLXZSGOEP-GFCCVEGCSA-N -1 0 302.286 0.866 50 0 DCAARM CC(C)C[C@H](NC(=O)c1ccccc1NCC(=O)[O-])C(N)=O ZINC000055357962 183982002 /nfs/dbraw/zinc/98/20/02/183982002.db2.gz IKEQRSLFNAWGLJ-LBPRGKRZSA-N -1 0 307.350 0.813 50 0 DCAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000408516218 533213479 /nfs/dbraw/zinc/21/34/79/533213479.db2.gz HLNWOCYKQYGJRG-RQJHMYQMSA-N -1 0 306.365 0.400 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)CCO1 ZINC000362572625 257236091 /nfs/dbraw/zinc/23/60/91/257236091.db2.gz KLDCJROPEMZKLV-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000314250103 257242986 /nfs/dbraw/zinc/24/29/86/257242986.db2.gz QSLWUMHMCPISEJ-SKDRFNHKSA-N -1 0 303.318 0.542 50 0 DCAARM O=C(NCCCc1nnn[n-]1)N1CCN(c2ccccn2)CC1 ZINC000426581071 257245933 /nfs/dbraw/zinc/24/59/33/257245933.db2.gz ZDOOGTQVAXLGRU-UHFFFAOYSA-N -1 0 316.369 0.059 50 0 DCAARM CSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(=O)[O-] ZINC000426471053 257249353 /nfs/dbraw/zinc/24/93/53/257249353.db2.gz ULLNMGMKCULWQR-UWVGGRQHSA-N -1 0 300.380 0.320 50 0 DCAARM NC(=O)CCN(CCc1ccccc1)C(=O)NC1(C(=O)[O-])CC1 ZINC000426478783 257249637 /nfs/dbraw/zinc/24/96/37/257249637.db2.gz NAVZPLBZNHZIOC-UHFFFAOYSA-N -1 0 319.361 0.733 50 0 DCAARM COc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)c(OC)c1 ZINC000012977709 395688240 /nfs/dbraw/zinc/68/82/40/395688240.db2.gz DIMPQMUSCJNDMZ-UHFFFAOYSA-N -1 0 319.317 0.583 50 0 DCAARM NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013269905 395688527 /nfs/dbraw/zinc/68/85/27/395688527.db2.gz HMJBXGSALOSJQA-SSDOTTSWSA-N -1 0 304.349 0.085 50 0 DCAARM CCn1cc([N-]S(=O)(=O)c2c(C)noc2C)c(C(N)=O)n1 ZINC000028233381 395695917 /nfs/dbraw/zinc/69/59/17/395695917.db2.gz KMJXIYCFYDUGFD-UHFFFAOYSA-N -1 0 313.339 0.408 50 0 DCAARM Cn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1=O ZINC000037789814 395728816 /nfs/dbraw/zinc/72/88/16/395728816.db2.gz VGRBBQJQRPBHHY-UHFFFAOYSA-N -1 0 308.315 0.884 50 0 DCAARM CCOC(=O)Cc1nn2c([n-]1)nc(C)c(Br)c2=O ZINC000100116337 395762622 /nfs/dbraw/zinc/76/26/22/395762622.db2.gz SMTFOTYUQWGBKY-UHFFFAOYSA-N -1 0 315.127 0.594 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000101020902 395763944 /nfs/dbraw/zinc/76/39/44/395763944.db2.gz PZCCVITWUIVBNF-ONGXEEELSA-N -1 0 316.273 0.379 50 0 DCAARM CC(C)[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236670267 395896252 /nfs/dbraw/zinc/89/62/52/395896252.db2.gz CFQDZKMVXZMKFG-ZDUSSCGKSA-N -1 0 306.366 0.918 50 0 DCAARM C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccc(F)c2O1)c1nnn[n-]1 ZINC000124578865 395900946 /nfs/dbraw/zinc/90/09/46/395900946.db2.gz GHXBRNYUWTXQJI-KWQFWETISA-N -1 0 305.313 0.904 50 0 DCAARM CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC000055311047 395916894 /nfs/dbraw/zinc/91/68/94/395916894.db2.gz YQIUATBXLXSXCB-UHFFFAOYSA-N -1 0 302.352 0.612 50 0 DCAARM Cc1nc(NC(=O)CN2CCc3nc[nH]c3C2)sc1C(=O)[O-] ZINC000244899592 395926333 /nfs/dbraw/zinc/92/63/33/395926333.db2.gz ZMKPIZADCWCERK-UHFFFAOYSA-N -1 0 321.362 0.870 50 0 DCAARM C[C@H](C(=O)N(C)CC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000153167918 396021527 /nfs/dbraw/zinc/02/15/27/396021527.db2.gz PZMFWTTVHWZHDD-GFCCVEGCSA-N -1 0 323.368 0.879 50 0 DCAARM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(N(C)C)c1 ZINC000252504772 396021876 /nfs/dbraw/zinc/02/18/76/396021876.db2.gz VKYGRSQXNJNRHG-JTQLQIEISA-N -1 0 300.380 0.847 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CCO1 ZINC000262855903 396187939 /nfs/dbraw/zinc/18/79/39/396187939.db2.gz HKHSRGOVGLGOCB-LBPRGKRZSA-N -1 0 318.285 0.973 50 0 DCAARM C[C@@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC000263089618 396201332 /nfs/dbraw/zinc/20/13/32/396201332.db2.gz UCAPWMAGYDLVRU-YGRLFVJLSA-N -1 0 320.345 0.876 50 0 DCAARM CC(=O)Nc1nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cs1 ZINC000533572898 396607248 /nfs/dbraw/zinc/60/72/48/396607248.db2.gz YMEFQIYXLYFQIH-QMMMGPOBSA-N -1 0 321.366 0.634 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cncn3)c(F)c2)CCO1 ZINC000584908056 396637765 /nfs/dbraw/zinc/63/77/65/396637765.db2.gz IJFOKJQMOCEJAF-GFCCVEGCSA-N -1 0 320.280 0.332 50 0 DCAARM Cn1c(=O)[nH]c(=O)c2nc(CC(=O)c3cccs3)c(=O)[nH]c21 ZINC000585152457 396642051 /nfs/dbraw/zinc/64/20/51/396642051.db2.gz JOJQXGNSQCVEDO-ALCCZGGFSA-N -1 0 318.314 0.840 50 0 DCAARM Cc1nc(=NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)s[n-]1 ZINC000578090449 397390419 /nfs/dbraw/zinc/39/04/19/397390419.db2.gz LGKXUDJOJUFQDH-ZJUUUORDSA-N -1 0 304.441 0.788 50 0 DCAARM C[C@H](C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000621614459 397404828 /nfs/dbraw/zinc/40/48/28/397404828.db2.gz IBLAZAFHPFLHTM-NRUUGDAUSA-N -1 0 303.380 0.523 50 0 DCAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000091737683 292384360 /nfs/dbraw/zinc/38/43/60/292384360.db2.gz CNDQJRNCCSMROO-OAHLLOKOSA-N -1 0 323.349 0.916 50 0 DCAARM CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000000052871 415124485 /nfs/dbraw/zinc/12/44/85/415124485.db2.gz DERCDELOZKOELA-LLVKDONJSA-N -1 0 300.336 0.787 50 0 biogenic DCAARM NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000000399859 415125999 /nfs/dbraw/zinc/12/59/99/415125999.db2.gz MDBKOWLNEJOEAD-CYBMUJFWSA-N -1 0 300.314 0.827 50 0 DCAARM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000005576385 415133733 /nfs/dbraw/zinc/13/37/33/415133733.db2.gz YKGNFQSXCHNISB-OUAUKWLOSA-N -1 0 303.380 0.523 50 0 DCAARM CCOc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1 ZINC000007327437 415136887 /nfs/dbraw/zinc/13/68/87/415136887.db2.gz YFVGYANPCFTWOD-UHFFFAOYSA-N -1 0 303.318 0.964 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000269040251 415249062 /nfs/dbraw/zinc/24/90/62/415249062.db2.gz QDNNJKSNFFPOFJ-HNNXBMFYSA-N -1 0 305.334 0.792 50 0 DCAARM CC(C)NS(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000045796260 415252461 /nfs/dbraw/zinc/25/24/61/415252461.db2.gz ZEEXHTKBGOXIFC-UHFFFAOYSA-N -1 0 310.331 0.913 50 0 DCAARM O=C([O-])CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000044892811 415229794 /nfs/dbraw/zinc/22/97/94/415229794.db2.gz QDNZSBQGLMERPD-UHFFFAOYSA-N -1 0 301.302 0.501 50 0 DCAARM O=C(N[C@@H]1CCS(=O)(=O)C1)c1nn(-c2ccccc2)cc1[O-] ZINC000072857105 415413699 /nfs/dbraw/zinc/41/36/99/415413699.db2.gz UCNKNPJUARPDLC-SNVBAGLBSA-N -1 0 321.358 0.495 50 0 DCAARM C[C@H](CN1CCOCC1)NC(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000101901958 415597094 /nfs/dbraw/zinc/59/70/94/415597094.db2.gz ZMJUNASALXWSHI-LLVKDONJSA-N -1 0 310.394 0.398 50 0 DCAARM CCNc1ccnc(N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)n1 ZINC000299773189 416065909 /nfs/dbraw/zinc/06/59/09/416065909.db2.gz CZLMHMLZUQJAPK-VHSXEESVSA-N -1 0 317.353 0.721 50 0 DCAARM C[C@@H]1CN(CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C[C@H](C)O1 ZINC000299764448 416066129 /nfs/dbraw/zinc/06/61/29/416066129.db2.gz ZTZYIFWGQFTOPW-JRPNMDOOSA-N -1 0 322.361 0.743 50 0 DCAARM NC(=O)c1ccc(NC(=O)CN2CCCC[C@H]2C(=O)[O-])cc1 ZINC000314161301 416109902 /nfs/dbraw/zinc/10/99/02/416109902.db2.gz ALMSGJLGCOFNAM-LBPRGKRZSA-N -1 0 305.334 0.663 50 0 DCAARM C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])CS2 ZINC000252451038 416334610 /nfs/dbraw/zinc/33/46/10/416334610.db2.gz IVNWVYUXSFKPJO-RBZYPMLTSA-N -1 0 312.391 0.906 50 0 DCAARM CSCC[C@H](NC(=O)Cc1sc(N)nc1C)C(=O)[O-] ZINC000426618066 416777403 /nfs/dbraw/zinc/77/74/03/416777403.db2.gz DOBUNCHGLZKOLQ-ZETCQYMHSA-N -1 0 303.409 0.899 50 0 DCAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299750060 229394656 /nfs/dbraw/zinc/39/46/56/229394656.db2.gz MOEKBKJRWYVSIB-TVQRCGJNSA-N -1 0 309.366 0.528 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000299752231 229396615 /nfs/dbraw/zinc/39/66/15/229396615.db2.gz SYFUEPRPSWHEJU-CHWSQXEVSA-N -1 0 308.378 0.958 50 0 DCAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000218886782 261152650 /nfs/dbraw/zinc/15/26/50/261152650.db2.gz BILNBYJJAPDTSR-UMBAGQNISA-N -1 0 313.741 0.707 50 0 DCAARM CCC(CC)(CNC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000424238266 262486685 /nfs/dbraw/zinc/48/66/85/262486685.db2.gz DPZXPSVPXXNJLW-UHFFFAOYSA-N -1 0 318.351 0.548 50 0 DCAARM CC(C)C[C@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000094702595 279161116 /nfs/dbraw/zinc/16/11/16/279161116.db2.gz GNRGRXQQNXJENC-GHMZBOCLSA-N -1 0 320.411 0.274 50 0 DCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000090622095 295520200 /nfs/dbraw/zinc/52/02/00/295520200.db2.gz ZDYBCXAVYYOIHX-QWRGUYRKSA-N -1 0 318.395 0.124 50 0 DCAARM Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(C)c1 ZINC000002635353 301197698 /nfs/dbraw/zinc/19/76/98/301197698.db2.gz GPKXJDJMUFBDBV-VXGBXAGGSA-N -1 0 313.375 0.820 50 0 DCAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])C2 ZINC000268974395 301438980 /nfs/dbraw/zinc/43/89/80/301438980.db2.gz IVNDEBQZIDHZPB-TZMCWYRMSA-N -1 0 305.330 0.919 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1=O ZINC000262446129 302897757 /nfs/dbraw/zinc/89/77/57/302897757.db2.gz UEYZBMRUSKITOL-MIMYLULJSA-N -1 0 321.333 0.344 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)CCO1 ZINC000268937768 534503656 /nfs/dbraw/zinc/50/36/56/534503656.db2.gz CVGNMCJWHJNFNU-QWHCGFSZSA-N -1 0 305.330 0.940 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1COCCO1 ZINC000268906119 534528605 /nfs/dbraw/zinc/52/86/05/534528605.db2.gz YOCVTVCQUXDHDL-UONOGXRCSA-N -1 0 318.329 0.695 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000262091470 526288315 /nfs/dbraw/zinc/28/83/15/526288315.db2.gz GMPRFDVFXFNKGA-ZDUSSCGKSA-N -1 0 316.317 0.257 50 0 DCAARM COc1ccc(Cc2n[n-]c(N3CCOCC3)nc2=O)cc1 ZINC000005154594 536534508 /nfs/dbraw/zinc/53/45/08/536534508.db2.gz RTAMYLUVQBORGH-UHFFFAOYSA-N -1 0 302.334 0.601 50 0 DCAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000262021623 545977454 /nfs/dbraw/zinc/97/74/54/545977454.db2.gz XUHXRAFBCGLPKL-WCQYABFASA-N -1 0 323.370 0.632 50 0 DCAARM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000262705464 545986139 /nfs/dbraw/zinc/98/61/39/545986139.db2.gz JJOWMVHVZUEZCA-SFYZADRCSA-N -1 0 301.320 0.666 50 0 DCAARM COc1cc(OC)c(S(=O)(=O)NCC(=O)[O-])cc1Cl ZINC000263264328 545986726 /nfs/dbraw/zinc/98/67/26/545986726.db2.gz WSJCIARXBIJFEI-UHFFFAOYSA-N -1 0 309.727 0.720 50 0 DCAARM CCc1nc(N2CCN(Cc3nccn3C)[C@@H](C(=O)[O-])C2)no1 ZINC000257372279 659270562 /nfs/dbraw/zinc/27/05/62/659270562.db2.gz OLBRSSZQHGOBJB-SNVBAGLBSA-N -1 0 320.353 0.141 50 0 DCAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1 ZINC000262442652 662391063 /nfs/dbraw/zinc/39/10/63/662391063.db2.gz UUWWTFIQZZBOAK-ZUZCIYMTSA-N -1 0 314.382 0.223 50 0 DCAARM CC[C@](CNC(=O)[C@@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000263104717 662632947 /nfs/dbraw/zinc/63/29/47/662632947.db2.gz WSLNVNILQKUUGL-XJKSGUPXSA-N -1 0 307.346 0.951 50 0 DCAARM O=C([O-])c1cncc(N2CCC[C@H](CNC(=O)C3CC3)C2)n1 ZINC000952978782 685600981 /nfs/dbraw/zinc/60/09/81/685600981.db2.gz FHVNNUOEMLOECB-SNVBAGLBSA-N -1 0 304.350 0.917 50 0 DCAARM COCCOCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000115729072 1176478441 /nfs/dbraw/zinc/47/84/41/1176478441.db2.gz FYBNWOKGUNVEEU-JTQLQIEISA-N -1 0 307.343 0.644 50 0 DCAARM N=c1nn[n-]n1CC(=O)NCc1ccc(C(F)(F)F)cc1F ZINC000952868322 768923675 /nfs/dbraw/zinc/92/36/75/768923675.db2.gz JTRCRPFLBFOWIQ-UHFFFAOYSA-N -1 0 318.234 0.560 50 0 DCAARM CC[C@H](NC(=O)Cn1[n-]nnc1=N)c1ccc(OC)c(OC)c1 ZINC001506407955 1017259007 /nfs/dbraw/zinc/25/90/07/1017259007.db2.gz UHWXEUVMHCIMLR-JTQLQIEISA-N -1 0 320.353 0.370 50 0 DCAARM C[C@@H](NC1CSCCSC1)c1n[nH]c(CC(=O)[O-])n1 ZINC001506412874 1017260048 /nfs/dbraw/zinc/26/00/48/1017260048.db2.gz FUFVRZJAJSSPGG-SSDOTTSWSA-N -1 0 302.425 0.931 50 0 DCAARM C[C@H](NC(=O)CN1[N-]S(=O)(=O)c2ccccc2C1=O)C1CC1 ZINC000095393324 185352144 /nfs/dbraw/zinc/35/21/44/185352144.db2.gz ZCCHREMIDOIKSL-VIFPVBQESA-N -1 0 323.374 0.250 50 0 DCAARM CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262566390 529960831 /nfs/dbraw/zinc/96/08/31/529960831.db2.gz BJWBLSFPOCKLOC-IHRRRGAJSA-N -1 0 307.346 0.743 50 0 DCAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1ncc(F)cc1F ZINC000072419934 191157677 /nfs/dbraw/zinc/15/76/77/191157677.db2.gz ZMRYJRJWEHCGLV-NSHDSACASA-N -1 0 308.244 0.907 50 0 DCAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1ncc(F)cc1F ZINC000072419933 191157778 /nfs/dbraw/zinc/15/77/78/191157778.db2.gz ZMRYJRJWEHCGLV-LLVKDONJSA-N -1 0 308.244 0.907 50 0 DCAARM Cc1cc(C)n(CCCC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC000072474644 191177780 /nfs/dbraw/zinc/17/77/80/191177780.db2.gz BYPRREXJHFFZQB-CYBMUJFWSA-N -1 0 309.366 0.982 50 0 DCAARM CCOC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1 ZINC000001796451 180897340 /nfs/dbraw/zinc/89/73/40/180897340.db2.gz ZQSFYVIOFAXEDT-UHFFFAOYSA-N -1 0 308.290 0.393 50 0 DCAARM CCc1ccc(-n2c(O)c3[nH][n-]c(C(=O)OC)c-3c2=O)cc1 ZINC000004889084 181168768 /nfs/dbraw/zinc/16/87/68/181168768.db2.gz NCEUTQXYMUSLCC-GHMZBOCLSA-N -1 0 301.302 0.239 50 0 DCAARM Cc1nc2ccccc2n1CC(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000426668294 240353545 /nfs/dbraw/zinc/35/35/45/240353545.db2.gz KJYAMBARBJKYFE-UHFFFAOYSA-N -1 0 300.322 0.527 50 0 DCAARM C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC000237543230 202277907 /nfs/dbraw/zinc/27/79/07/202277907.db2.gz PDFCIRQNAQSECB-JGVFFNPUSA-N -1 0 312.272 0.907 50 0 DCAARM Cc1nc(C)c(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])o1 ZINC000091288670 193031165 /nfs/dbraw/zinc/03/11/65/193031165.db2.gz MDICNWHRWWLNSY-JTQLQIEISA-N -1 0 321.333 0.487 50 0 DCAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ncccn1)CC2 ZINC000091663150 193087344 /nfs/dbraw/zinc/08/73/44/193087344.db2.gz NSLIIGLWMMZWIY-CYBMUJFWSA-N -1 0 318.377 0.764 50 0 DCAARM Cc1ccc(C(=O)N[C@H](C)c2nnn[n-]2)cc1N1CCNC1=O ZINC000091665087 193088502 /nfs/dbraw/zinc/08/85/02/193088502.db2.gz ICRDFNFZXALDMR-SECBINFHSA-N -1 0 315.337 0.529 50 0 DCAARM COCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000092065189 193150843 /nfs/dbraw/zinc/15/08/43/193150843.db2.gz GRXLQPQRDANVCR-ZDUSSCGKSA-N -1 0 320.411 0.530 50 0 DCAARM CC(C)(C(=O)[O-])C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000567971062 291394450 /nfs/dbraw/zinc/39/44/50/291394450.db2.gz XLSWTQPHLPJZDW-UHFFFAOYSA-N -1 0 314.363 0.785 50 0 DCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CN1CCCCCC1=O ZINC000095503516 304150764 /nfs/dbraw/zinc/15/07/64/304150764.db2.gz PQFNMWDYOIXPRI-LBPRGKRZSA-N -1 0 320.349 0.150 50 0 DCAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2c(c1)CCO2 ZINC000218057693 304153633 /nfs/dbraw/zinc/15/36/33/304153633.db2.gz YMPGQGTUQJDKJO-ZDUSSCGKSA-N -1 0 313.313 0.996 50 0 DCAARM CC(C)c1noc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 ZINC000095388744 193442529 /nfs/dbraw/zinc/44/25/29/193442529.db2.gz UUGKFGSINQQDFC-SNVBAGLBSA-N -1 0 322.365 0.748 50 0 DCAARM COC(=O)c1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000101675135 193834719 /nfs/dbraw/zinc/83/47/19/193834719.db2.gz FXDUNRNYHQWTKA-SNVBAGLBSA-N -1 0 301.262 0.443 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000268979517 304200743 /nfs/dbraw/zinc/20/07/43/304200743.db2.gz MNEQZNYNRJREFC-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1 ZINC000043702077 183381987 /nfs/dbraw/zinc/38/19/87/183381987.db2.gz JJPGCCYVMPXLKN-NSHDSACASA-N -1 0 301.245 0.656 50 0 DCAARM O=C([O-])CNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000061718344 184185202 /nfs/dbraw/zinc/18/52/02/184185202.db2.gz ATAOKDWYWYBJQU-UHFFFAOYSA-N -1 0 321.720 0.765 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(CC(=O)NC3CC3)cc2)C1 ZINC000065386744 184333755 /nfs/dbraw/zinc/33/37/55/184333755.db2.gz KFQLHHFELMCWMT-NSHDSACASA-N -1 0 302.330 0.945 50 0 DCAARM CC(C)c1nccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])n1 ZINC000222582541 257274331 /nfs/dbraw/zinc/27/43/31/257274331.db2.gz HGMXZZVXTZPPSQ-ZYHUDNBSSA-N -1 0 323.349 0.589 50 0 DCAARM COc1ccccc1NC(=O)C[C@@H](C(=O)[O-])N1CCOCC1 ZINC000008496155 395684612 /nfs/dbraw/zinc/68/46/12/395684612.db2.gz DLAQCCBNPQFVAF-LBPRGKRZSA-N -1 0 308.334 0.809 50 0 DCAARM CS(=O)(=O)[N-]c1nc(CC(=O)NC[C@H]2CCCO2)cs1 ZINC000012324119 395687445 /nfs/dbraw/zinc/68/74/45/395687445.db2.gz DSJWXPZSYQYMHL-SECBINFHSA-N -1 0 319.408 0.352 50 0 DCAARM CC[C@@H](C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002324503 395681369 /nfs/dbraw/zinc/68/13/69/395681369.db2.gz OUONDYVBQZANCF-RNCFNFMXSA-N -1 0 318.333 0.407 50 0 DCAARM CCn1ncc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000036611024 395723850 /nfs/dbraw/zinc/72/38/50/395723850.db2.gz VMTXQRYHOLQDEX-IUCAKERBSA-N -1 0 308.338 0.831 50 0 DCAARM Cn1nccc1C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000089741108 395714494 /nfs/dbraw/zinc/71/44/94/395714494.db2.gz XEHYHLJPZXTCFE-UHFFFAOYSA-N -1 0 316.317 0.877 50 0 DCAARM COc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)c(OC)c1 ZINC000033074009 395715883 /nfs/dbraw/zinc/71/58/83/395715883.db2.gz YJGNWHIGFZISHF-UHFFFAOYSA-N -1 0 310.335 0.877 50 0 DCAARM C[C@@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)[O-] ZINC000089900617 395716459 /nfs/dbraw/zinc/71/64/59/395716459.db2.gz DTYDEIMMLQIROJ-NSHDSACASA-N -1 0 311.382 0.751 50 0 DCAARM COc1cccc(/C=C2/NC(=S)NC2=O)c1OCC(=O)[O-] ZINC000033420061 395717190 /nfs/dbraw/zinc/71/71/90/395717190.db2.gz NCRIEBLTDDUQBB-VMPITWQZSA-N -1 0 308.315 0.504 50 0 DCAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000037430806 395727204 /nfs/dbraw/zinc/72/72/04/395727204.db2.gz URGHFUFHRSJKIK-GHMZBOCLSA-N -1 0 320.411 0.274 50 0 DCAARM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCc1cccs1 ZINC000037731670 395728168 /nfs/dbraw/zinc/72/81/68/395728168.db2.gz GLPDHOHCJBRUGS-UHFFFAOYSA-N -1 0 301.349 0.690 50 0 DCAARM O=c1[nH]c(NCc2nnn[n-]2)nc2c1Cc1ccccc1OC2 ZINC000095520434 395740935 /nfs/dbraw/zinc/74/09/35/395740935.db2.gz OIJZIRVKBOLVMZ-UHFFFAOYSA-N -1 0 311.305 0.378 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100660501 395763586 /nfs/dbraw/zinc/76/35/86/395763586.db2.gz XAEHOUHENKOUJJ-DTWKUNHWSA-N -1 0 307.693 0.330 50 0 DCAARM COC(=O)C1=C(C)NC(=O)[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000101652006 395766136 /nfs/dbraw/zinc/76/61/36/395766136.db2.gz YAXDIXDAVMLBGZ-LLVKDONJSA-N -1 0 316.239 0.766 50 0 DCAARM Cc1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)s1 ZINC000101761730 395767050 /nfs/dbraw/zinc/76/70/50/395767050.db2.gz YONYCEBYSHKSAP-MRVPVSSYSA-N -1 0 320.374 0.598 50 0 DCAARM C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000051658884 395852865 /nfs/dbraw/zinc/85/28/65/395852865.db2.gz NMMLFPDQJLFHOZ-JTQLQIEISA-N -1 0 316.354 0.605 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)n1 ZINC000122767749 395889777 /nfs/dbraw/zinc/88/97/77/395889777.db2.gz KBSNXZPLJPJSJV-UHFFFAOYSA-N -1 0 316.317 0.787 50 0 DCAARM Cc1cc([C@H](C(=O)[O-])N2CCS(=O)(=O)CC2)ccc1F ZINC000055403602 395918898 /nfs/dbraw/zinc/91/88/98/395918898.db2.gz DYGLDBHKKNFCBE-GFCCVEGCSA-N -1 0 301.339 0.990 50 0 DCAARM COc1c(=O)c(C(=O)[O-])cn2c1C(=O)N1[C@H](C)CCO[C@H]1C2 ZINC000150055997 395970433 /nfs/dbraw/zinc/97/04/33/395970433.db2.gz KGWJKKUSXSBPSK-APPZFPTMSA-N -1 0 308.290 0.146 50 0 DCAARM CN(C)c1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1 ZINC000252498921 396021984 /nfs/dbraw/zinc/02/19/84/396021984.db2.gz RQQAPUZQHYCDQL-UHFFFAOYSA-N -1 0 313.379 0.059 50 0 DCAARM CC[C@@H](C)[C@H](CO)NC(=O)CCc1nn2c([n-]1)nc(C)cc2=O ZINC000252549657 396023169 /nfs/dbraw/zinc/02/31/69/396023169.db2.gz ROJOMCWCWQPYEJ-KOLCDFICSA-N -1 0 321.381 0.594 50 0 DCAARM Cc1ccc(N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)nn1 ZINC000067974701 396041743 /nfs/dbraw/zinc/04/17/43/396041743.db2.gz NFAMKMJKGMJRPZ-NSHDSACASA-N -1 0 302.338 0.991 50 0 DCAARM COc1cc(C#N)ccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262434974 396139683 /nfs/dbraw/zinc/13/96/83/396139683.db2.gz SSDSHAVJOROQQF-CYBMUJFWSA-N -1 0 320.301 0.258 50 0 DCAARM O=C(CS(=O)(=O)C1CCCC1)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262716702 396175800 /nfs/dbraw/zinc/17/58/00/396175800.db2.gz NVYUOGKBBLTDPE-ZJUUUORDSA-N -1 0 303.380 0.713 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCO1 ZINC000262727424 396176455 /nfs/dbraw/zinc/17/64/55/396176455.db2.gz BDYOVLPPKBRZKC-NSHDSACASA-N -1 0 302.290 0.193 50 0 DCAARM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1nc(=O)[nH][n-]1 ZINC000075604420 396182388 /nfs/dbraw/zinc/18/23/88/396182388.db2.gz XCSHSEWGQTUZQI-SSDOTTSWSA-N -1 0 310.745 0.771 50 0 DCAARM CCN(C(=O)CCc1cc(=O)[n-]o1)[C@H]1CCS(=O)(=O)C1 ZINC000077538800 396225655 /nfs/dbraw/zinc/22/56/55/396225655.db2.gz HZTVVZBKLMDOBB-VIFPVBQESA-N -1 0 302.352 0.348 50 0 DCAARM COc1ccnc(CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c1OC ZINC000289470056 396461037 /nfs/dbraw/zinc/46/10/37/396461037.db2.gz QVHDZSSBRHSWIM-SNVBAGLBSA-N -1 0 319.365 0.890 50 0 DCAARM Cc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000311787787 396761367 /nfs/dbraw/zinc/76/13/67/396761367.db2.gz ZIXVQCTYHZMYJB-SECBINFHSA-N -1 0 305.377 0.839 50 0 DCAARM CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ncc[nH]2)cn1 ZINC000564830086 396874915 /nfs/dbraw/zinc/87/49/15/396874915.db2.gz VLAHPZOABBTCMI-UHFFFAOYSA-N -1 0 323.378 0.378 50 0 DCAARM CO[C@H](CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])[C@H]1CCOC1 ZINC000630445885 397023949 /nfs/dbraw/zinc/02/39/49/397023949.db2.gz IEGMYTDHSOWNGP-DMDPSCGWSA-N -1 0 321.395 0.307 50 0 DCAARM Cc1nn(C)c2ncc(C(=O)[O-])c(NCCn3cncn3)c12 ZINC000381744934 397272359 /nfs/dbraw/zinc/27/23/59/397272359.db2.gz BZMQZYSNCQGLLN-UHFFFAOYSA-N -1 0 301.310 0.679 50 0 DCAARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)CC(=O)[O-] ZINC000398243116 397313553 /nfs/dbraw/zinc/31/35/53/397313553.db2.gz QCBLPDCAIJGZEY-VIFPVBQESA-N -1 0 318.307 0.017 50 0 DCAARM Cc1nn(C)c(=O)c(C(=O)NCc2ccc(C(=O)[O-])o2)c1C ZINC000237798074 158642039 /nfs/dbraw/zinc/64/20/39/158642039.db2.gz WALBWEXTRNEDQV-UHFFFAOYSA-N -1 0 305.290 0.618 50 0 DCAARM C[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1n[nH]c(=O)[n-]1 ZINC000095356265 415553329 /nfs/dbraw/zinc/55/33/29/415553329.db2.gz QOCQEOKRBZYKKX-MRVPVSSYSA-N -1 0 311.305 0.441 50 0 DCAARM CNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000330488911 416210860 /nfs/dbraw/zinc/21/08/60/416210860.db2.gz LDVOWMINYVKNDP-JTQLQIEISA-N -1 0 312.347 0.141 50 0 DCAARM CN(C)c1ccnc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000663122180 417992542 /nfs/dbraw/zinc/99/25/42/417992542.db2.gz APDOJDLRRPTYOH-UHFFFAOYSA-N -1 0 307.350 0.901 50 0 DCAARM O=C([O-])c1cccc(C(=O)N2CCOC[C@H]2c2nc[nH]n2)c1 ZINC000663124687 417993893 /nfs/dbraw/zinc/99/38/93/417993893.db2.gz FJQPQNZYPUGHSJ-NSHDSACASA-N -1 0 302.290 0.717 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000299743720 229382446 /nfs/dbraw/zinc/38/24/46/229382446.db2.gz LYSXDZQWDPLVAR-AAEUAGOBSA-N -1 0 317.345 0.506 50 0 DCAARM COCCOc1cccc(C(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000359792421 271143314 /nfs/dbraw/zinc/14/33/14/271143314.db2.gz RVQSGYDNAUCLDY-UHFFFAOYSA-N -1 0 305.338 0.890 50 0 DCAARM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC000262585483 293275830 /nfs/dbraw/zinc/27/58/30/293275830.db2.gz ZRAQUUBOZVLSKU-BBRMVZONSA-N -1 0 305.330 0.940 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)CCO1 ZINC000328589225 534524828 /nfs/dbraw/zinc/52/48/28/534524828.db2.gz AADQVPVCIIMNFE-OHVSUOQFSA-N -1 0 305.286 0.741 50 0 DCAARM Cc1oc(CN(C)C(=O)CN2CSCC2=O)cc1C(=O)[O-] ZINC000262475363 534545011 /nfs/dbraw/zinc/54/50/11/534545011.db2.gz JWOQTBKRLNTWLR-UHFFFAOYSA-N -1 0 312.347 0.778 50 0 DCAARM CCc1cc(N2CCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])C2)ncn1 ZINC000263545317 545986608 /nfs/dbraw/zinc/98/66/08/545986608.db2.gz GMOPLOZECFNYTI-CMPLNLGQSA-N -1 0 306.366 0.845 50 0 DCAARM CN1N=C(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)CCC1=O ZINC000864174565 667222424 /nfs/dbraw/zinc/22/24/24/667222424.db2.gz GRYMLBPDJGAXKU-JFGNBEQYSA-N -1 0 307.350 0.696 50 0 DCAARM CN1N=C(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)CCC1=O ZINC000864174563 667222440 /nfs/dbraw/zinc/22/24/40/667222440.db2.gz GRYMLBPDJGAXKU-JBLDHEPKSA-N -1 0 307.350 0.696 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(c2ncccc2C(N)=O)C[C@@H]1O ZINC001704344573 1179980302 /nfs/dbraw/zinc/98/03/02/1179980302.db2.gz UBYBEXYOJGRRSG-NHYWBVRUSA-N -1 0 307.350 0.623 50 0 DCAARM N=c1nn[n-]n1CC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000827929348 758902243 /nfs/dbraw/zinc/90/22/43/758902243.db2.gz NWGNWHFSDRKXCY-CYBMUJFWSA-N -1 0 300.366 0.882 50 0 DCAARM O=C([O-])CNC(=O)NCc1nncn1CCc1ccccc1 ZINC000828018514 758911194 /nfs/dbraw/zinc/91/11/94/758911194.db2.gz BNFCSTCQWITESM-UHFFFAOYSA-N -1 0 303.322 0.405 50 0 DCAARM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)n(C)n1 ZINC000226744268 201784859 /nfs/dbraw/zinc/78/48/59/201784859.db2.gz JDEBUTIVWDQZKE-UHFFFAOYSA-N -1 0 324.362 0.393 50 0 DCAARM CN(CCCC(=O)[O-])C(=O)Cn1c2ccccc2n(C)c1=O ZINC000072291182 191109176 /nfs/dbraw/zinc/10/91/76/191109176.db2.gz GFSJEVYINYWWSM-UHFFFAOYSA-N -1 0 305.334 0.663 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCc2[nH]nc3c2CCCC3)CCO1 ZINC000072423279 191158963 /nfs/dbraw/zinc/15/89/63/191158963.db2.gz FBIGYGOJJCPJRJ-ZDUSSCGKSA-N -1 0 307.350 0.533 50 0 DCAARM CC1=NN(CC(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)CC1 ZINC000072475751 191177402 /nfs/dbraw/zinc/17/74/02/191177402.db2.gz WADQGXKGYUBGPV-UHFFFAOYSA-N -1 0 319.365 0.367 50 0 DCAARM Cc1cccc(OCC(=O)N2CCN(C(=O)CC(=O)[O-])CC2)c1 ZINC000002456356 180925052 /nfs/dbraw/zinc/92/50/52/180925052.db2.gz OKSDZSBPWLCNAG-UHFFFAOYSA-N -1 0 320.345 0.519 50 0 DCAARM Cn1ncc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1-n1cccc1 ZINC000174441190 198335736 /nfs/dbraw/zinc/33/57/36/198335736.db2.gz FLDFTIAXZGEYQG-NSHDSACASA-N -1 0 318.333 0.527 50 0 DCAARM CCn1ncc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000002538905 180933133 /nfs/dbraw/zinc/93/31/33/180933133.db2.gz CAWIBQKNCMGPNV-JTQLQIEISA-N -1 0 301.368 0.697 50 0 DCAARM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003885987 181052504 /nfs/dbraw/zinc/05/25/04/181052504.db2.gz AFRSUXWJUFUMFM-PSASIEDQSA-N -1 0 305.739 0.549 50 0 DCAARM CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCC(=O)[O-])O1 ZINC000004028020 181064559 /nfs/dbraw/zinc/06/45/59/181064559.db2.gz PQJQDUMTNKVEQJ-DVYMNCLGSA-N -1 0 318.322 0.484 50 0 biogenic DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2 ZINC000004474215 181111407 /nfs/dbraw/zinc/11/14/07/181111407.db2.gz CKGDVBSADPGILL-QWRGUYRKSA-N -1 0 301.302 0.375 50 0 DCAARM Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)[n-]c1=O ZINC000005640580 181267311 /nfs/dbraw/zinc/26/73/11/181267311.db2.gz PLNVQKADEZXCCZ-UHFFFAOYSA-N -1 0 320.330 0.933 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000237156512 202170832 /nfs/dbraw/zinc/17/08/32/202170832.db2.gz VTCRWUZAMFVBNH-CYBMUJFWSA-N -1 0 304.346 0.621 50 0 DCAARM Cc1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000180168112 199126156 /nfs/dbraw/zinc/12/61/56/199126156.db2.gz LNTCGGORVHBIAQ-LLVKDONJSA-N -1 0 308.334 0.983 50 0 DCAARM Cc1nn(C)c2ncc(C(=O)N[C@]3(C(=O)[O-])CCSC3)cc12 ZINC000277267092 238327514 /nfs/dbraw/zinc/32/75/14/238327514.db2.gz OPVPYWLKMUHJBX-CQSZACIVSA-N -1 0 320.374 0.967 50 0 DCAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCCN2CCOCC2)C1 ZINC000006698524 181372113 /nfs/dbraw/zinc/37/21/13/181372113.db2.gz CQKVHURRTXXQKG-KGLIPLIRSA-N -1 0 310.394 0.882 50 0 DCAARM Cc1nc(CN2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n(C)n1 ZINC000091461054 193059693 /nfs/dbraw/zinc/05/96/93/193059693.db2.gz VVQMDSKZRXFVFS-VXGBXAGGSA-N -1 0 301.350 0.819 50 0 DCAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1nc(C)no1)CC2 ZINC000091493689 193063783 /nfs/dbraw/zinc/06/37/83/193063783.db2.gz AQXUYLWHXUVNMI-GFCCVEGCSA-N -1 0 322.365 0.666 50 0 DCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1ccccn1)CC2 ZINC000095387498 193442484 /nfs/dbraw/zinc/44/24/84/193442484.db2.gz AZHGZXIWPVSGBZ-LLVKDONJSA-N -1 0 317.345 0.619 50 0 DCAARM CC(=O)N1CCC(CNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000264382579 203890700 /nfs/dbraw/zinc/89/07/00/203890700.db2.gz OWIRSWRTJBYAIH-UHFFFAOYSA-N -1 0 305.334 0.768 50 0 DCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(c1nnc3ccccn31)CC2 ZINC000095357783 304174714 /nfs/dbraw/zinc/17/47/14/304174714.db2.gz SSWHMWCKDFLHMJ-SNVBAGLBSA-N -1 0 315.333 0.289 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000018038164 182090444 /nfs/dbraw/zinc/09/04/44/182090444.db2.gz UMEIVWNFSLFZMY-VXGBXAGGSA-N -1 0 315.329 0.684 50 0 DCAARM CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C(=O)[O-])cnn2C)C1 ZINC000020614722 182239586 /nfs/dbraw/zinc/23/95/86/182239586.db2.gz GPYDDRLIUMWMNU-SECBINFHSA-N -1 0 309.322 0.534 50 0 DCAARM CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000036611023 182827652 /nfs/dbraw/zinc/82/76/52/182827652.db2.gz VMTXQRYHOLQDEX-BDAKNGLRSA-N -1 0 308.338 0.831 50 0 DCAARM Cn1cnc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1 ZINC000058393679 184112648 /nfs/dbraw/zinc/11/26/48/184112648.db2.gz QEYKAFDBVKFWCS-UHFFFAOYSA-N -1 0 314.754 0.973 50 0 DCAARM CCOc1ccccc1NC(=O)CC(=O)N[C@@H](C)c1nnn[n-]1 ZINC000065383190 184332450 /nfs/dbraw/zinc/33/24/50/184332450.db2.gz AOLKUJNITJECTN-VIFPVBQESA-N -1 0 318.337 0.804 50 0 DCAARM O=C([O-])c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011755499 304250482 /nfs/dbraw/zinc/25/04/82/304250482.db2.gz VOGQTOLEXZHGSD-JTQLQIEISA-N -1 0 304.345 0.346 50 0 DCAARM CCCc1nnsc1C(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000316954879 257242142 /nfs/dbraw/zinc/24/21/42/257242142.db2.gz BOYCVMUQWFRVSO-JTQLQIEISA-N -1 0 321.362 0.865 50 0 DCAARM C[C@@H](C(=O)NCCCc1nnn[n-]1)n1c2ccccc2oc1=O ZINC000426478923 257249726 /nfs/dbraw/zinc/24/97/26/257249726.db2.gz LUHZQGRQUSSIKA-VIFPVBQESA-N -1 0 316.321 0.418 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000008699058 395684972 /nfs/dbraw/zinc/68/49/72/395684972.db2.gz PCBPNECGZXIBEY-UHFFFAOYSA-N -1 0 318.782 0.731 50 0 DCAARM COc1cc2[n-]c(O)c(C(=O)NCCCO)c(=O)c2cc1OC ZINC000009087960 395685230 /nfs/dbraw/zinc/68/52/30/395685230.db2.gz VKZPLMVUWJOOMB-UHFFFAOYSA-N -1 0 322.317 0.363 50 0 biogenic DCAARM Cc1ccn2nc(C(=O)[N-]c3nn4cnnc4s3)nc2n1 ZINC000009440634 395685363 /nfs/dbraw/zinc/68/53/63/395685363.db2.gz VQRCAYCBZGMUHY-UHFFFAOYSA-N -1 0 301.295 0.184 50 0 DCAARM COc1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O ZINC000011990948 395686955 /nfs/dbraw/zinc/68/69/55/395686955.db2.gz GBURDGKZCHFZTF-SSDOTTSWSA-N -1 0 322.346 0.586 50 0 DCAARM Cn1cc(C(=O)[O-])c(C(=O)NCCn2ccc(C3CC3)n2)n1 ZINC000012397564 395687571 /nfs/dbraw/zinc/68/75/71/395687571.db2.gz GUXCCVXKPOVYGZ-UHFFFAOYSA-N -1 0 303.322 0.622 50 0 DCAARM Nc1nc(=O)cc(N2CCC(Cn3cc(C4CC4)nn3)CC2)[nH]1 ZINC000020598739 395691282 /nfs/dbraw/zinc/69/12/82/395691282.db2.gz HPJPVKUNYSITON-UHFFFAOYSA-N -1 0 315.381 0.738 50 0 DCAARM NC(=O)[C@H]1CN(C(=O)CSCCC(=O)[O-])c2ccccc2O1 ZINC000025105584 395693179 /nfs/dbraw/zinc/69/31/79/395693179.db2.gz SDNYVGUVTOZEQL-LLVKDONJSA-N -1 0 324.358 0.474 50 0 DCAARM C[C@@H](C(=O)NCCCC(=O)[O-])n1nnc2ccccc2c1=O ZINC000002328411 395681362 /nfs/dbraw/zinc/68/13/62/395681362.db2.gz DWTFQCHJNBDRFC-VIFPVBQESA-N -1 0 304.306 0.334 50 0 DCAARM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000002556551 395681652 /nfs/dbraw/zinc/68/16/52/395681652.db2.gz PEKPTLWQVLOJAJ-MRVPVSSYSA-N -1 0 306.384 0.834 50 0 DCAARM Cc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)[O-])ccc12 ZINC000035686315 395721197 /nfs/dbraw/zinc/72/11/97/395721197.db2.gz ARPURKOBKRGPNU-UHFFFAOYSA-N -1 0 305.286 0.989 50 0 DCAARM O=C([O-])c1ccc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000036908883 395725205 /nfs/dbraw/zinc/72/52/05/395725205.db2.gz BCRNFLCUEHHUEN-LBPRGKRZSA-N -1 0 311.359 0.478 50 0 DCAARM O=C([O-])[C@@]12CN(Cc3cscn3)C[C@@H]1CN(C(=O)C1CC1)C2 ZINC000096137150 395745692 /nfs/dbraw/zinc/74/56/92/395745692.db2.gz GEAGFRTXGSECJO-IAQYHMDHSA-N -1 0 321.402 0.898 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000100510416 395763228 /nfs/dbraw/zinc/76/32/28/395763228.db2.gz DUSKOZOKHATRJQ-VHSXEESVSA-N -1 0 321.720 0.720 50 0 DCAARM COc1cc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc(OC)c1O ZINC000101347852 395764147 /nfs/dbraw/zinc/76/41/47/395764147.db2.gz XEWVWPVQDVYJPC-VIFPVBQESA-N -1 0 318.289 0.984 50 0 DCAARM O=c1cc(CN2CCOCC2)nc2[n-]c(-c3cccs3)nn21 ZINC000101841946 395767043 /nfs/dbraw/zinc/76/70/43/395767043.db2.gz GAXWMYMZFQYOMX-UHFFFAOYSA-N -1 0 317.374 0.978 50 0 DCAARM O=C([O-])CCCNC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049545718 395832627 /nfs/dbraw/zinc/83/26/27/395832627.db2.gz PIWUEJZCVREQQB-UHFFFAOYSA-N -1 0 321.358 0.953 50 0 DCAARM CNC(=O)[C@@H]1CN(C(=O)c2ccccc2C(=O)[O-])C[C@H]1COC ZINC000257187428 396035200 /nfs/dbraw/zinc/03/52/00/396035200.db2.gz BBTRWPHPEQFMAB-GXFFZTMASA-N -1 0 320.345 0.465 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])oc1C ZINC000261735578 396060523 /nfs/dbraw/zinc/06/05/23/396060523.db2.gz SZQBPIKLYMRVIJ-VIFPVBQESA-N -1 0 317.319 0.612 50 0 DCAARM O=C([O-])c1n[nH]cc1CN1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000071762204 396114644 /nfs/dbraw/zinc/11/46/44/396114644.db2.gz GLPRKEQNNBHSDM-ZDUSSCGKSA-N -1 0 318.308 0.920 50 0 DCAARM C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000261931531 396080965 /nfs/dbraw/zinc/08/09/65/396080965.db2.gz JQCAVYHSFZYPBB-GWCFXTLKSA-N -1 0 304.302 0.638 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000262528864 396151043 /nfs/dbraw/zinc/15/10/43/396151043.db2.gz SFNSSUDRTVLZDE-QMMMGPOBSA-N -1 0 320.330 0.526 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 ZINC000262964639 396194909 /nfs/dbraw/zinc/19/49/09/396194909.db2.gz KTBUSYBITHIYHO-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccn(-c2ccccc2)n1 ZINC000268989322 396380335 /nfs/dbraw/zinc/38/03/35/396380335.db2.gz RGJLIMMONWSMAW-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCS1(=O)=O ZINC000581676734 396575066 /nfs/dbraw/zinc/57/50/66/396575066.db2.gz FYAXPIQSUQVPLI-NSHDSACASA-N -1 0 313.331 0.909 50 0 DCAARM O=C(NCCCc1nnn[n-]1)c1cccc(N2CCNC2=O)c1 ZINC000584897563 396635873 /nfs/dbraw/zinc/63/58/73/396635873.db2.gz QGEAPINAWGANHI-UHFFFAOYSA-N -1 0 315.337 0.092 50 0 DCAARM COc1ccnc(N2CCC(C(=O)N(C)CCC(=O)[O-])CC2)n1 ZINC000299749819 396714013 /nfs/dbraw/zinc/71/40/13/396714013.db2.gz LSUMUMGZYXZRFV-UHFFFAOYSA-N -1 0 322.365 0.635 50 0 DCAARM CN(CCC(=O)[O-])C(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000299750592 396714467 /nfs/dbraw/zinc/71/44/67/396714467.db2.gz OAINYLPECAJFHK-UHFFFAOYSA-N -1 0 311.338 0.174 50 0 DCAARM CO[C@H](CS(=O)(=O)N1CCC[C@@]1(C)C(=O)[O-])[C@@H]1CCOC1 ZINC000630445888 397023976 /nfs/dbraw/zinc/02/39/76/397023976.db2.gz IEGMYTDHSOWNGP-WZRBSPASSA-N -1 0 321.395 0.307 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)CN1CCCCCCC1=O ZINC000262207386 158785637 /nfs/dbraw/zinc/78/56/37/158785637.db2.gz IIWMDEREGHZZGE-LBPRGKRZSA-N -1 0 312.366 0.481 50 0 DCAARM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])C1 ZINC000262442647 158813167 /nfs/dbraw/zinc/81/31/67/158813167.db2.gz UUWWTFIQZZBOAK-BMIGLBTASA-N -1 0 314.382 0.223 50 0 DCAARM CC(C)Cc1nnc(NC(=O)CCn2[n-]c(=O)ccc2=O)s1 ZINC000007717810 415139879 /nfs/dbraw/zinc/13/98/79/415139879.db2.gz QAFVMNMQLDYFIX-UHFFFAOYSA-N -1 0 323.378 0.615 50 0 DCAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000269082876 415249711 /nfs/dbraw/zinc/24/97/11/415249711.db2.gz JCHGALKJURPZNK-JSGCOSHPSA-N -1 0 306.362 0.819 50 0 DCAARM COc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c(C)c1 ZINC000067659887 415378104 /nfs/dbraw/zinc/37/81/04/415378104.db2.gz ICFYGPOHQBOFJN-UHFFFAOYSA-N -1 0 311.363 0.993 50 0 DCAARM CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095969660 415566388 /nfs/dbraw/zinc/56/63/88/415566388.db2.gz CWGYEVBKZKEXSH-UHFFFAOYSA-N -1 0 314.363 0.995 50 0 DCAARM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)[C@H]1C ZINC000108455491 415679688 /nfs/dbraw/zinc/67/96/88/415679688.db2.gz NHELRXVCDFDFDQ-KXUCPTDWSA-N -1 0 323.349 0.161 50 0 DCAARM CCCS(=O)(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299765434 416065721 /nfs/dbraw/zinc/06/57/21/416065721.db2.gz AUADZKBDGZPBHO-DTWKUNHWSA-N -1 0 302.356 0.035 50 0 DCAARM CC(=O)N[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000244601820 416330386 /nfs/dbraw/zinc/33/03/86/416330386.db2.gz DSEOGWFRHOPGDU-ZDUSSCGKSA-N -1 0 305.334 0.534 50 0 DCAARM O=c1[n-]c([C@H]2CCCCN2S(=O)(=O)N2CCCCC2)n[nH]1 ZINC000585114668 416518009 /nfs/dbraw/zinc/51/80/09/416518009.db2.gz QKKFKQFXTABTFP-SNVBAGLBSA-N -1 0 315.399 0.768 50 0 DCAARM Cn1nc(CC(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc2c1=O ZINC000299744259 229383556 /nfs/dbraw/zinc/38/35/56/229383556.db2.gz RMTSUXWSVPPPKG-JTQLQIEISA-N -1 0 315.329 0.409 50 0 DCAARM CS(=O)(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000206322 295505472 /nfs/dbraw/zinc/50/54/72/295505472.db2.gz LHFMZTWTJXSQGK-JTQLQIEISA-N -1 0 311.315 0.171 50 0 DCAARM Cc1cc2n(n1)-c1cc(C)nn1-c1c(S(=O)(=O)[O-])c(C)nn1-2 ZINC000003056927 301460952 /nfs/dbraw/zinc/46/09/52/301460952.db2.gz UBITVYLAAGRAQS-UHFFFAOYSA-N -1 0 320.334 0.729 50 0 DCAARM O=C([O-])CCCC(=O)N1CCCO[C@H](CN2CCOCC2)C1 ZINC000534648398 334316382 /nfs/dbraw/zinc/31/63/82/334316382.db2.gz VDECCRCPNFFKJB-CYBMUJFWSA-N -1 0 314.382 0.191 50 0 DCAARM CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000534672599 334321174 /nfs/dbraw/zinc/32/11/74/334321174.db2.gz GEPHKNVKWPLMIK-SNVBAGLBSA-N -1 0 300.380 0.802 50 0 DCAARM CCO[C@@H]1C[C@](NC(=O)c2nccnc2N)(C(=O)[O-])C1(C)C ZINC000262688450 520454582 /nfs/dbraw/zinc/45/45/82/520454582.db2.gz BKKAGEQNSUMWGF-CLAHSXSESA-N -1 0 308.338 0.447 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000299749832 526679531 /nfs/dbraw/zinc/67/95/31/526679531.db2.gz LUZWUQVOFDDSLN-ZDUSSCGKSA-N -1 0 322.386 0.965 50 0 DCAARM C[C@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCC[C@H]1C(=O)[O-] ZINC000262818234 545986020 /nfs/dbraw/zinc/98/60/20/545986020.db2.gz PHHGZRYYLSRPBE-FZMZJTMJSA-N -1 0 317.407 0.961 50 0 DCAARM Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000585655818 546303414 /nfs/dbraw/zinc/30/34/14/546303414.db2.gz VMQVJWFYNUASLD-MRVPVSSYSA-N -1 0 300.274 0.937 50 0 DCAARM COc1ccc2c(cc(C(=O)NCc3n[nH]c(=O)[n-]3)n2C)c1 ZINC000670455800 547098005 /nfs/dbraw/zinc/09/80/05/547098005.db2.gz RLZQCPKKHQIGAU-UHFFFAOYSA-N -1 0 301.306 0.941 50 0 DCAARM COc1ccc2c(c1)C[C@@H](C(=O)NC[C@](C)(O)C(=O)[O-])CO2 ZINC000262447717 662391920 /nfs/dbraw/zinc/39/19/20/662391920.db2.gz VMDARNKKRUDXMB-BMIGLBTASA-N -1 0 309.318 0.198 50 0 DCAARM CC[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000135467595 685121947 /nfs/dbraw/zinc/12/19/47/685121947.db2.gz CHJZDKQHIQZNDY-SECBINFHSA-N -1 0 314.363 0.626 50 0 DCAARM CO[C@H]1CCCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000230233584 1180551773 /nfs/dbraw/zinc/55/17/73/1180551773.db2.gz GAWMRHFSMKHFJZ-VIFPVBQESA-N -1 0 315.347 0.890 50 0 DCAARM Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c(=O)n1 ZINC000219581059 766271023 /nfs/dbraw/zinc/27/10/23/766271023.db2.gz LXGFVZBZIGTCOZ-QWHCGFSZSA-N -1 0 321.377 0.675 50 0 DCAARM Cc1cc(N)cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000952885115 768933952 /nfs/dbraw/zinc/93/39/52/768933952.db2.gz ZOHPIDKWIYAFBK-LBPRGKRZSA-N -1 0 313.379 0.461 50 0 DCAARM COc1ccc(CN(C)C(=O)CS(=O)(=O)c2ncc[n-]2)cc1 ZINC000078819110 185114827 /nfs/dbraw/zinc/11/48/27/185114827.db2.gz YZWOPRUGAUJNCJ-UHFFFAOYSA-N -1 0 323.374 0.851 50 0 DCAARM CN1CC(=O)N(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299744448 530046677 /nfs/dbraw/zinc/04/66/77/530046677.db2.gz SGRUPPIAZCSGOB-AXFHLTTASA-N -1 0 323.349 0.125 50 0 DCAARM CN1CC(=O)N(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1=O ZINC000299744449 530046682 /nfs/dbraw/zinc/04/66/82/530046682.db2.gz SGRUPPIAZCSGOB-DCAQKATOSA-N -1 0 323.349 0.125 50 0 DCAARM COc1ccc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc2c1 ZINC000004064124 181068882 /nfs/dbraw/zinc/06/88/82/181068882.db2.gz MRRGKOFYZAZNJO-UHFFFAOYSA-N -1 0 305.286 0.853 50 0 biogenic DCAARM CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O ZINC000004270284 181089985 /nfs/dbraw/zinc/08/99/85/181089985.db2.gz IUJMGWZIAYEKAU-UHFFFAOYSA-N -1 0 311.319 0.675 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004812128 181155554 /nfs/dbraw/zinc/15/55/54/181155554.db2.gz XAEHOUHENKOUJJ-BDAKNGLRSA-N -1 0 307.693 0.330 50 0 DCAARM COc1cccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)c1OC ZINC000004942707 181177119 /nfs/dbraw/zinc/17/71/19/181177119.db2.gz RNIAIHCXEHGZRT-SECBINFHSA-N -1 0 303.278 0.674 50 0 DCAARM CC(C)[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC000075572852 191493574 /nfs/dbraw/zinc/49/35/74/191493574.db2.gz JCSGFWAKVFPQEU-AWEZNQCLSA-N -1 0 317.345 0.701 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000237151606 202168662 /nfs/dbraw/zinc/16/86/62/202168662.db2.gz VTCRWUZAMFVBNH-ZDUSSCGKSA-N -1 0 304.346 0.621 50 0 DCAARM CC1(C)C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCO1 ZINC000567799510 291378453 /nfs/dbraw/zinc/37/84/53/291378453.db2.gz RUFCZZNIJNUCRR-ZJUUUORDSA-N -1 0 306.384 0.327 50 0 DCAARM O=C([O-])Cn1nnnc1[C@H](c1ccccc1)N1CCOCC1 ZINC000019093589 182104446 /nfs/dbraw/zinc/10/44/46/182104446.db2.gz WJCGZMJZBWYCBG-ZDUSSCGKSA-N -1 0 303.322 0.179 50 0 DCAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CN1CCCCCC1=O ZINC000095503517 304205247 /nfs/dbraw/zinc/20/52/47/304205247.db2.gz PQFNMWDYOIXPRI-GFCCVEGCSA-N -1 0 320.349 0.150 50 0 DCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000299745358 304206703 /nfs/dbraw/zinc/20/67/03/304206703.db2.gz YIIJYRJBMWXCKC-CHWSQXEVSA-N -1 0 323.370 0.459 50 0 DCAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 ZINC000003882724 304211941 /nfs/dbraw/zinc/21/19/41/304211941.db2.gz SLPZEBLBIJOIBQ-QOFRNUMZSA-N -1 0 315.281 0.786 50 0 DCAARM Cn1c2ccc(CN3C[C@H](C(=O)[O-])CC3=O)cc2n(C)c1=O ZINC000065505544 184356972 /nfs/dbraw/zinc/35/69/72/184356972.db2.gz HFKGFFGBAQJYLJ-SNVBAGLBSA-N -1 0 303.318 0.310 50 0 DCAARM O=C([O-])c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000098212975 304240910 /nfs/dbraw/zinc/24/09/10/304240910.db2.gz CNGHETBQDLLWNB-UHFFFAOYSA-N -1 0 304.302 0.986 50 0 DCAARM Cc1ccc2[nH]c(CN(C)C(=O)Cc3n[nH]c(=O)[n-]3)nc2c1 ZINC000426598898 257246310 /nfs/dbraw/zinc/24/63/10/257246310.db2.gz OHFRIEADMWARDQ-UHFFFAOYSA-N -1 0 300.322 0.896 50 0 DCAARM CS(=O)(=O)NCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000426535392 257246597 /nfs/dbraw/zinc/24/65/97/257246597.db2.gz DQDVTFHLRPAWOF-JTQLQIEISA-N -1 0 306.384 0.172 50 0 DCAARM O=C(Cc1n[nH]c(=O)[n-]1)NC1CCN(c2ccccc2F)CC1 ZINC000426514909 257247707 /nfs/dbraw/zinc/24/77/07/257247707.db2.gz TXPYLSWGINJKRQ-UHFFFAOYSA-N -1 0 319.340 0.977 50 0 DCAARM COc1c[nH]c(C(=O)N[C@H](CCSC)C(=O)[O-])cc1=O ZINC000426501744 257248183 /nfs/dbraw/zinc/24/81/83/257248183.db2.gz IABUFFQMVRYSPB-SSDOTTSWSA-N -1 0 300.336 0.320 50 0 DCAARM O=C(Cc1n[nH]c(=O)[n-]1)NCc1nc(Cc2ccccc2)no1 ZINC000426434426 257250207 /nfs/dbraw/zinc/25/02/07/257250207.db2.gz HFHJNCJWAIHCHQ-UHFFFAOYSA-N -1 0 314.305 0.343 50 0 DCAARM CCOc1ccccc1N1CCN(C(=O)COCC(=O)[O-])CC1 ZINC000006699745 134476267 /nfs/dbraw/zinc/47/62/67/134476267.db2.gz CDKVHGCWABFZIY-UHFFFAOYSA-N -1 0 322.361 0.835 50 0 DCAARM CS(=O)(=O)[N-]c1nc(CC(=O)NCc2ccco2)cs1 ZINC000009421794 395685339 /nfs/dbraw/zinc/68/53/39/395685339.db2.gz YJXZXWOGXSQOBP-UHFFFAOYSA-N -1 0 315.376 0.967 50 0 DCAARM CC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020566563 395691248 /nfs/dbraw/zinc/69/12/48/395691248.db2.gz LGKWZZCHSVIONX-BENRWUELSA-N -1 0 303.318 0.434 50 0 DCAARM Cc1noc(C)c1CCC(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000096139385 395746032 /nfs/dbraw/zinc/74/60/32/395746032.db2.gz OHRSJLBNSFFWEK-CYBMUJFWSA-N -1 0 318.333 0.985 50 0 DCAARM CC1(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)COC1 ZINC000112728410 395823476 /nfs/dbraw/zinc/82/34/76/395823476.db2.gz WXBRFCYLSSRHDL-UHFFFAOYSA-N -1 0 305.359 0.978 50 0 DCAARM COc1ncccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000047521239 395795295 /nfs/dbraw/zinc/79/52/95/395795295.db2.gz HVTQSHNEFWDMGS-UHFFFAOYSA-N -1 0 307.331 0.990 50 0 DCAARM O=C([O-])[C@H]1CCCN1CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000238093071 395921280 /nfs/dbraw/zinc/92/12/80/395921280.db2.gz WBOUHHQIXXNAJW-QWHCGFSZSA-N -1 0 304.346 0.655 50 0 DCAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2c(=O)[nH]1 ZINC000231415062 395884585 /nfs/dbraw/zinc/88/45/85/395884585.db2.gz IFNSHMXNVBDWAM-UHFFFAOYSA-N -1 0 318.314 0.412 50 0 DCAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000136489548 395947864 /nfs/dbraw/zinc/94/78/64/395947864.db2.gz FQTMHQIDGFKRCF-ZDUSSCGKSA-N -1 0 315.329 0.862 50 0 DCAARM Cc1nc(/C=C/C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cs1 ZINC000158081497 396064332 /nfs/dbraw/zinc/06/43/32/396064332.db2.gz SUWHCZCZNPOZMO-PBKGFPTLSA-N -1 0 316.404 0.947 50 0 DCAARM CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)[O-])n2C ZINC000169294436 396090201 /nfs/dbraw/zinc/09/02/01/396090201.db2.gz TYQLURJFXMSFSW-UHFFFAOYSA-N -1 0 311.363 0.841 50 0 DCAARM Cc1ncc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)s1 ZINC000170619119 396095915 /nfs/dbraw/zinc/09/59/15/396095915.db2.gz GYKWYCNJGFJZKH-UHFFFAOYSA-N -1 0 302.319 0.973 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1 ZINC000262346529 396127627 /nfs/dbraw/zinc/12/76/27/396127627.db2.gz AQFYLBDGJQDZKZ-CYBMUJFWSA-N -1 0 318.329 0.739 50 0 DCAARM COc1ccccc1[C@@H](C)N(C)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000069391562 396077554 /nfs/dbraw/zinc/07/75/54/396077554.db2.gz IDTIRBFZNVMHEW-LLVKDONJSA-N -1 0 317.345 0.765 50 0 DCAARM COc1cccc(C(=O)NCC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000262836418 396186279 /nfs/dbraw/zinc/18/62/79/396186279.db2.gz BSZBKGAVBRDFBH-LBPRGKRZSA-N -1 0 320.345 0.891 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)CCO1 ZINC000262992980 396196530 /nfs/dbraw/zinc/19/65/30/396196530.db2.gz OQOAIFNOMXIEOL-JTQLQIEISA-N -1 0 321.289 0.574 50 0 DCAARM CCC(=O)N1CC[C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C1 ZINC000263347972 396214939 /nfs/dbraw/zinc/21/49/39/396214939.db2.gz PATNURHOJYTUIR-TUAOUCFPSA-N -1 0 311.382 0.750 50 0 DCAARM CO[C@H]1COCC[C@@H]1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000584895213 396634874 /nfs/dbraw/zinc/63/48/74/396634874.db2.gz DCYFKVMINPJIFF-JSGCOSHPSA-N -1 0 317.345 0.699 50 0 DCAARM Cc1nc(=NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)s[n-]1 ZINC000578090448 397389899 /nfs/dbraw/zinc/38/98/99/397389899.db2.gz LGKXUDJOJUFQDH-VHSXEESVSA-N -1 0 304.441 0.788 50 0 DCAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCn1cncn1 ZINC000261922198 158754157 /nfs/dbraw/zinc/75/41/57/158754157.db2.gz IDIAFQQTFFUSKF-AWEZNQCLSA-N -1 0 300.318 0.879 50 0 DCAARM COc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1N1CCNC1=O ZINC000262687096 158834559 /nfs/dbraw/zinc/83/45/59/158834559.db2.gz DPHDXYDRDKBDSL-QMMMGPOBSA-N -1 0 307.306 0.428 50 0 DCAARM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)N2CCOCC2)c1 ZINC000408340105 160088059 /nfs/dbraw/zinc/08/80/59/160088059.db2.gz MZXFCLXLNXUOAS-UHFFFAOYSA-N -1 0 314.363 0.991 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000268949022 292452753 /nfs/dbraw/zinc/45/27/53/292452753.db2.gz OZFJGQVPAKXODI-NSHDSACASA-N -1 0 306.318 0.672 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3c(C)cc(C)cc3C)c(=O)c1-2 ZINC000100061361 415588783 /nfs/dbraw/zinc/58/87/83/415588783.db2.gz IBSFJPURTCQVNL-MNOVXSKESA-N -1 0 315.329 0.602 50 0 DCAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-] ZINC000236735251 416328429 /nfs/dbraw/zinc/32/84/29/416328429.db2.gz CPQHWYASQSYWAC-CQSZACIVSA-N -1 0 317.345 0.806 50 0 DCAARM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000237719556 416328776 /nfs/dbraw/zinc/32/87/76/416328776.db2.gz ADXKQVMEKVSETQ-UHFFFAOYSA-N -1 0 318.333 0.387 50 0 DCAARM NC(=O)N1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000299744701 229385340 /nfs/dbraw/zinc/38/53/40/229385340.db2.gz UJKTZYLYXSWWGA-QWHCGFSZSA-N -1 0 319.361 0.589 50 0 DCAARM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262953381 278476181 /nfs/dbraw/zinc/47/61/81/278476181.db2.gz LLXJMUYBLADWRO-NHCYSSNCSA-N -1 0 317.407 0.911 50 0 DCAARM COCCn1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cn1 ZINC000262675831 292736933 /nfs/dbraw/zinc/73/69/33/292736933.db2.gz RALGPHVBHSCJFD-NSHDSACASA-N -1 0 317.367 0.157 50 0 DCAARM CN1C(=O)C[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000378169576 289832314 /nfs/dbraw/zinc/83/23/14/289832314.db2.gz SOOLUSUMEJUZGD-WCQYABFASA-N -1 0 318.329 0.449 50 0 DCAARM CN1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccccc1 ZINC000015670696 290315575 /nfs/dbraw/zinc/31/55/75/290315575.db2.gz BTEGTWJBDTTYTA-GFCCVEGCSA-N -1 0 314.345 0.571 50 0 DCAARM COc1cccc2c1OCC(C(=O)N1CCOC[C@H]1C(=O)[O-])=C2 ZINC000299753420 295339527 /nfs/dbraw/zinc/33/95/27/295339527.db2.gz YEHXRAOQVLHRHZ-LBPRGKRZSA-N -1 0 319.313 0.783 50 0 DCAARM COc1ccccc1S([O-])=CC(=O)N[C@H]1CCCCNC1=O ZINC000095394031 295419126 /nfs/dbraw/zinc/41/91/26/295419126.db2.gz NOPORXBWSSPVKK-SAHAZLINSA-N -1 0 324.402 0.588 50 0 DCAARM CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000013399550 333132114 /nfs/dbraw/zinc/13/21/14/333132114.db2.gz MDHGYQITLPSEOR-UHFFFAOYSA-N -1 0 318.376 0.299 50 0 DCAARM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cscn1 ZINC000408516215 534234229 /nfs/dbraw/zinc/23/42/29/534234229.db2.gz HLNWOCYKQYGJRG-BQBZGAKWSA-N -1 0 306.365 0.400 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000268964809 534526119 /nfs/dbraw/zinc/52/61/19/534526119.db2.gz CDVIMNQRXVOJBM-AWEZNQCLSA-N -1 0 315.329 0.727 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000248846387 526291773 /nfs/dbraw/zinc/29/17/73/526291773.db2.gz AQKCDBNEHREWCE-XLDPMVHQSA-N -1 0 324.283 0.907 50 0 DCAARM CC(=O)N[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CCCC1 ZINC000262441701 526866488 /nfs/dbraw/zinc/86/64/88/526866488.db2.gz NPUMKGTYQWMIGK-JSGCOSHPSA-N -1 0 312.366 0.383 50 0 DCAARM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC000262731515 527304333 /nfs/dbraw/zinc/30/43/33/527304333.db2.gz UNZILEJJOOZVHN-POYBYMJQSA-N -1 0 318.376 0.379 50 0 DCAARM CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000299742744 529088226 /nfs/dbraw/zinc/08/82/26/529088226.db2.gz KCADXAILYAETPI-SECBINFHSA-N -1 0 311.338 0.030 50 0 DCAARM CS(=O)(=O)C[C@@H]1CCCN(Cc2c[nH]nc2C(=O)[O-])C1 ZINC000215877610 545938976 /nfs/dbraw/zinc/93/89/76/545938976.db2.gz AXFQUDVDTTVHAG-SECBINFHSA-N -1 0 301.368 0.365 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC000218724378 545940579 /nfs/dbraw/zinc/94/05/79/545940579.db2.gz ORFBVBXIBZIKJZ-MNOVXSKESA-N -1 0 310.306 0.541 50 0 DCAARM Cc1c[nH]cc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262193492 545980192 /nfs/dbraw/zinc/98/01/92/545980192.db2.gz NQQPVABHZYPINF-NSHDSACASA-N -1 0 307.350 0.718 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)C=Cc2ccc(C(=O)[O-])cc2)c1=O ZINC000079098578 602020037 /nfs/dbraw/zinc/02/00/37/602020037.db2.gz WWWZRISBAQJRQA-QPJJXVBHSA-N -1 0 300.270 0.668 50 0 DCAARM CCN(C[C@H](O)COc1ccccc1C(C)=O)S(=O)(=O)[O-] ZINC000022590000 657518693 /nfs/dbraw/zinc/51/86/93/657518693.db2.gz ZSSJYDCNXFQXIO-NSHDSACASA-N -1 0 317.363 0.754 50 0 DCAARM NC(=O)C12CC(C1)CN2C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000952993395 685603751 /nfs/dbraw/zinc/60/37/51/685603751.db2.gz TWVXVXPFOFWRBB-UHFFFAOYSA-N -1 0 304.302 0.240 50 0 DCAARM Cc1nnc(SCCCNC(=O)c2n[nH]c(=O)[n-]2)s1 ZINC000825296649 758801822 /nfs/dbraw/zinc/80/18/22/758801822.db2.gz AHSRYHUWUUKOIN-UHFFFAOYSA-N -1 0 300.369 0.582 50 0 DCAARM Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)nc(C)n1 ZINC000584907987 766236687 /nfs/dbraw/zinc/23/66/87/766236687.db2.gz KKAKWGAIBAKGBU-RYUDHWBXSA-N -1 0 304.350 0.463 50 0 DCAARM Cc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)nc(C)n1 ZINC000584907986 766236989 /nfs/dbraw/zinc/23/69/89/766236989.db2.gz KKAKWGAIBAKGBU-NWDGAFQWSA-N -1 0 304.350 0.463 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cc[nH]c2)CCN(c2cnccn2)C1 ZINC000219624833 766273634 /nfs/dbraw/zinc/27/36/34/766273634.db2.gz KCDKJHLQTRFADJ-LBPRGKRZSA-N -1 0 315.333 0.468 50 0 DCAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3n[nH]c4ncnn34)ccc2O1 ZINC000585129716 766290872 /nfs/dbraw/zinc/29/08/72/766290872.db2.gz SOZBFUQWZZKUSG-ZETCQYMHSA-N -1 0 320.334 0.577 50 0 DCAARM CCNC(=O)[C@H]1CCN(C(=O)c2cc(O)cc(C(=O)[O-])c2)C1 ZINC001529101692 1014494603 /nfs/dbraw/zinc/49/46/03/1014494603.db2.gz LWKZOAUTCKESRV-VIFPVBQESA-N -1 0 306.318 0.689 50 0 DCAARM Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000095461188 185370945 /nfs/dbraw/zinc/37/09/45/185370945.db2.gz IPSBHTLDFUAXRE-UHFFFAOYSA-N -1 0 309.713 0.315 50 0 DCAARM CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1n[nH]cc1Cl)C2 ZINC000072172639 191069006 /nfs/dbraw/zinc/06/90/06/191069006.db2.gz SPGPPWVGUTVOGI-UHFFFAOYSA-N -1 0 322.756 0.411 50 0 DCAARM NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1nccnc1C(=O)[O-] ZINC000072401346 191150653 /nfs/dbraw/zinc/15/06/53/191150653.db2.gz GOQBSOINCYASFI-JTQLQIEISA-N -1 0 312.285 0.232 50 0 DCAARM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003866350 181051111 /nfs/dbraw/zinc/05/11/11/181051111.db2.gz PNKNFLDZFMVGME-UHFFFAOYSA-N -1 0 312.347 0.286 50 0 DCAARM C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084655 299214355 /nfs/dbraw/zinc/21/43/55/299214355.db2.gz VFXAXQFWZWULTE-TXMMPKFLSA-N -1 0 306.343 0.846 50 0 biogenic DCAARM Cc1ccc(NC(=O)/C=c2\[nH]c(=O)/c(=C\C(=O)[O-])s2)cc1C ZINC000005242803 181220625 /nfs/dbraw/zinc/22/06/25/181220625.db2.gz AMBFEEZRCMYZON-NBPRNCBBSA-N -1 0 318.354 0.338 50 0 DCAARM O=C([O-])C[C@@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 ZINC000262885796 304075749 /nfs/dbraw/zinc/07/57/49/304075749.db2.gz HKYDLLGFDCOFRY-JTQLQIEISA-N -1 0 303.380 0.810 50 0 DCAARM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000262798400 283437443 /nfs/dbraw/zinc/43/74/43/283437443.db2.gz PATILFRRHXYACH-ZJUUUORDSA-N -1 0 306.384 0.170 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000268925327 238252379 /nfs/dbraw/zinc/25/23/79/238252379.db2.gz VJSBNOBFLKUTJU-RNFRBKRXSA-N -1 0 318.255 0.744 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 ZINC000246743886 304122093 /nfs/dbraw/zinc/12/20/93/304122093.db2.gz HDFKIUSIWBQUNW-PRJMDXOYSA-N -1 0 308.256 0.377 50 0 DCAARM CCN(CC)S(=O)(=O)N1CCC[C@@](CCOC)(C(=O)[O-])C1 ZINC000091304070 193037453 /nfs/dbraw/zinc/03/74/53/193037453.db2.gz RGXBWRTYFMMPEA-ZDUSSCGKSA-N -1 0 322.427 0.776 50 0 DCAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ncccn1)CC2 ZINC000091965973 193133893 /nfs/dbraw/zinc/13/38/93/193133893.db2.gz NFFZORBRQOHQMB-LLVKDONJSA-N -1 0 304.350 0.374 50 0 DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000088377032 304136382 /nfs/dbraw/zinc/13/63/82/304136382.db2.gz ZUHOOYBHSPBTOO-JTQLQIEISA-N -1 0 305.739 0.814 50 0 DCAARM CNC(=O)NC(=O)[C@@H](C)n1nc(C(=O)[O-])c2ccccc2c1=O ZINC000007784971 181496720 /nfs/dbraw/zinc/49/67/20/181496720.db2.gz LFQNHNZDUZPMHD-SSDOTTSWSA-N -1 0 318.289 0.111 50 0 DCAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1cnn2ccccc12 ZINC000072440253 304162378 /nfs/dbraw/zinc/16/23/78/304162378.db2.gz PYIVMJKKXDCHDA-ZDUSSCGKSA-N -1 0 311.301 0.882 50 0 DCAARM CCCCNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)[N-]C=N2 ZINC000015682370 182012453 /nfs/dbraw/zinc/01/24/53/182012453.db2.gz WTODYKOVMZVDCK-UHFFFAOYSA-N -1 0 317.392 0.717 50 0 biogenic DCAARM CSCC[C@@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000021817142 182292880 /nfs/dbraw/zinc/29/28/80/182292880.db2.gz HLZPCBHBYMREEN-MRVPVSSYSA-N -1 0 308.381 0.776 50 0 DCAARM CCOC(=O)N1CCN(C(=O)c2nn(C)cc2C(=O)[O-])CC1 ZINC000036615441 182828708 /nfs/dbraw/zinc/82/87/08/182828708.db2.gz BFRPKURBRNPSED-UHFFFAOYSA-N -1 0 310.310 0.033 50 0 DCAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C(=O)[O-] ZINC000040385902 183059424 /nfs/dbraw/zinc/05/94/24/183059424.db2.gz FOTJLPRJSCCHQZ-DCAQKATOSA-N -1 0 320.411 0.274 50 0 DCAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCCS(=O)(=O)C2)s1 ZINC000069145865 304238627 /nfs/dbraw/zinc/23/86/27/304238627.db2.gz RUWQBDXZZHLTFR-ZETCQYMHSA-N -1 0 303.361 0.753 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000269178761 256625017 /nfs/dbraw/zinc/62/50/17/256625017.db2.gz KNWNBXIHCBNLKT-GFCCVEGCSA-N -1 0 300.318 0.873 50 0 DCAARM NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000000399858 257213998 /nfs/dbraw/zinc/21/39/98/257213998.db2.gz MDBKOWLNEJOEAD-ZDUSSCGKSA-N -1 0 300.314 0.827 50 0 DCAARM COc1cc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc(OC)c1OC ZINC000216626510 257273218 /nfs/dbraw/zinc/27/32/18/257273218.db2.gz YZMSNPBUDUTMEP-QMMMGPOBSA-N -1 0 324.289 0.612 50 0 biogenic DCAARM CCn1cnnc1CN1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426717025 257243623 /nfs/dbraw/zinc/24/36/23/257243623.db2.gz TWDZYRRQGHFQRC-GFCCVEGCSA-N -1 0 318.381 0.959 50 0 DCAARM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc2c(c1)ncn2CCO ZINC000426737326 257243767 /nfs/dbraw/zinc/24/37/67/257243767.db2.gz CNDZHAADTSENSH-XYPYZODXSA-N -1 0 303.318 0.622 50 0 DCAARM Cc1nonc1CC(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000426477215 257249600 /nfs/dbraw/zinc/24/96/00/257249600.db2.gz LTRSFWUPXKMJEX-UHFFFAOYSA-N -1 0 305.290 0.814 50 0 DCAARM O=C([O-])CCC(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000000204354 134431048 /nfs/dbraw/zinc/43/10/48/134431048.db2.gz ZCUZWNFKBGPTIH-UHFFFAOYSA-N -1 0 320.305 0.863 50 0 DCAARM COc1ccc(C)cc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012983727 395688322 /nfs/dbraw/zinc/68/83/22/395688322.db2.gz RQQDQRFHSBWXFK-UHFFFAOYSA-N -1 0 303.318 0.882 50 0 DCAARM CS(=O)(=O)CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000206323 395680065 /nfs/dbraw/zinc/68/00/65/395680065.db2.gz LHFMZTWTJXSQGK-SNVBAGLBSA-N -1 0 311.315 0.171 50 0 DCAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCOCC1 ZINC000000425333 395680403 /nfs/dbraw/zinc/68/04/03/395680403.db2.gz OLJIAJJLZRMJCR-UHFFFAOYSA-N -1 0 305.359 0.918 50 0 DCAARM O=C([O-])[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000003221620 395682358 /nfs/dbraw/zinc/68/23/58/395682358.db2.gz ZNIKCDQUKAIUGM-MRVPVSSYSA-N -1 0 324.152 0.173 50 0 DCAARM O=C([O-])CCCC(=O)NCc1ccc(-c2nncnn2)cc1 ZINC000086032182 395702743 /nfs/dbraw/zinc/70/27/43/395702743.db2.gz KWNYIZNORNUUJQ-UHFFFAOYSA-N -1 0 301.306 0.805 50 0 DCAARM O=C([O-])CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000032500168 395711163 /nfs/dbraw/zinc/71/11/63/395711163.db2.gz CZBIVIXVUGMSHI-UHFFFAOYSA-N -1 0 312.347 0.566 50 0 DCAARM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035122370 395719081 /nfs/dbraw/zinc/71/90/81/395719081.db2.gz ZJDJNEBUMQCOKE-UHFFFAOYSA-N -1 0 316.354 0.607 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028021258 395695639 /nfs/dbraw/zinc/69/56/39/395695639.db2.gz MTNHVRVNPHORLA-STQMWFEESA-N -1 0 322.386 0.720 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000037419991 395727190 /nfs/dbraw/zinc/72/71/90/395727190.db2.gz VHNACGRRFBFEOA-LLVKDONJSA-N -1 0 312.347 0.332 50 0 DCAARM COc1ccc(CN2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1OC ZINC000098063875 395761689 /nfs/dbraw/zinc/76/16/89/395761689.db2.gz QNPOWNQAVNTBFP-SNVBAGLBSA-N -1 0 322.317 0.989 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100510413 395763181 /nfs/dbraw/zinc/76/31/81/395763181.db2.gz QQXQXQPYWRSPSW-GHMZBOCLSA-N -1 0 301.302 0.375 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(OC)cc3)c(=O)c1-2 ZINC000100510443 395763241 /nfs/dbraw/zinc/76/32/41/395763241.db2.gz ZSWXBPWBKTXLBE-GHMZBOCLSA-N -1 0 317.301 0.076 50 0 DCAARM CCOC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000100625969 395763626 /nfs/dbraw/zinc/76/36/26/395763626.db2.gz NBWBGCIYAWBDIF-NWDGAFQWSA-N -1 0 302.290 0.543 50 0 DCAARM CN(Cc1noc2c1CCCC2)C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC000219823879 395846236 /nfs/dbraw/zinc/84/62/36/395846236.db2.gz FESNXTNWUPBCQW-UHFFFAOYSA-N -1 0 318.333 0.131 50 0 DCAARM CC[C@@H](C)N(Cc1cccnc1)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000055358681 395917931 /nfs/dbraw/zinc/91/79/31/395917931.db2.gz GIAPCQRTOWDUIY-GFCCVEGCSA-N -1 0 316.361 0.759 50 0 DCAARM CCn1ncnc1[C@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065381157 395992788 /nfs/dbraw/zinc/99/27/88/395992788.db2.gz LPAILPBWYPQQDY-QMMMGPOBSA-N -1 0 304.310 0.362 50 0 DCAARM C[C@H]1Oc2cc(S(=O)(=O)[N-]c3ccn(C)n3)ccc2NC1=O ZINC000252509165 396022504 /nfs/dbraw/zinc/02/25/04/396022504.db2.gz YDVUMIFOVWQSIQ-MRVPVSSYSA-N -1 0 322.346 0.940 50 0 DCAARM Cc1nn2c([n-]1)nc(C)c(CCC(=O)N[C@@H](CO)C(C)C)c2=O ZINC000252508681 396022713 /nfs/dbraw/zinc/02/27/13/396022713.db2.gz XQULJFSWCCROMK-LBPRGKRZSA-N -1 0 321.381 0.512 50 0 DCAARM CS(=O)(=O)[N-]C(=O)CCNC(=O)[C@@H](F)CC1CCCCC1 ZINC000253397600 396027001 /nfs/dbraw/zinc/02/70/01/396027001.db2.gz XVBVNHLHWBDYFY-NSHDSACASA-N -1 0 322.402 0.877 50 0 DCAARM CCO[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262204803 396110704 /nfs/dbraw/zinc/11/07/04/396110704.db2.gz PBVUJLCFYMPYHW-IJLUTSLNSA-N -1 0 312.366 0.193 50 0 DCAARM CNC(=O)Cc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000071287862 396112508 /nfs/dbraw/zinc/11/25/08/396112508.db2.gz KUSRYIHTOCSCRB-UHFFFAOYSA-N -1 0 314.301 0.716 50 0 DCAARM NC(=O)COc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000261923206 396080327 /nfs/dbraw/zinc/08/03/27/396080327.db2.gz ZSHHGIHBYGFFRY-SNVBAGLBSA-N -1 0 306.318 0.488 50 0 DCAARM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000069571096 396083614 /nfs/dbraw/zinc/08/36/14/396083614.db2.gz CXPWRXDHNGKCRD-SSDOTTSWSA-N -1 0 321.376 0.765 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000263281016 396211212 /nfs/dbraw/zinc/21/12/12/396211212.db2.gz JSBMNUVEYZXYOE-CYBMUJFWSA-N -1 0 316.317 0.583 50 0 DCAARM CC(C)(C(=O)[O-])n1cc(NC(=O)CN2CSCC2=O)cn1 ZINC000262792292 396182418 /nfs/dbraw/zinc/18/24/18/396182418.db2.gz KYHBAYAXFIJEGU-UHFFFAOYSA-N -1 0 312.351 0.174 50 0 DCAARM COCCOc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000263043362 396199393 /nfs/dbraw/zinc/19/93/93/396199393.db2.gz VYUWRYWQCRHEFU-CYBMUJFWSA-N -1 0 309.318 0.637 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000268949018 415246747 /nfs/dbraw/zinc/24/67/47/415246747.db2.gz OZFJGQVPAKXODI-LLVKDONJSA-N -1 0 306.318 0.672 50 0 DCAARM CC(C)(C)OC(=O)N1CCN(c2ncccn2)[C@H](C(=O)[O-])C1 ZINC000072202867 415411723 /nfs/dbraw/zinc/41/17/23/415411723.db2.gz WOROVQVSCFKCJK-JTQLQIEISA-N -1 0 308.338 0.987 50 0 DCAARM COC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000103689118 415620547 /nfs/dbraw/zinc/62/05/47/415620547.db2.gz KXUSPQFFWBKDKA-MRVPVSSYSA-N -1 0 306.771 0.964 50 0 DCAARM Cn1c([O-])c(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000101763644 415596131 /nfs/dbraw/zinc/59/61/31/415596131.db2.gz UJMTUXNSGMNWTB-SECBINFHSA-N -1 0 320.736 0.871 50 0 DCAARM NS(=O)(=O)c1cccc(NC(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000167027626 416022366 /nfs/dbraw/zinc/02/23/66/416022366.db2.gz OHOQXEPXYZSFEJ-UHFFFAOYSA-N -1 0 313.335 0.320 50 0 DCAARM CN1CCOc2cc(C(=O)N3CC[N@H+](C)[C@@H](C(=O)[O-])C3)ccc21 ZINC000216433246 416327420 /nfs/dbraw/zinc/32/74/20/416327420.db2.gz RCCHYIGTYCLJOG-CYBMUJFWSA-N -1 0 319.361 0.356 50 0 DCAARM COCCn1ccnc1CN1CCc2c(c(C(=O)[O-])nn2C)C1 ZINC000216131156 416327544 /nfs/dbraw/zinc/32/75/44/416327544.db2.gz RJIZMLCLRTZWND-UHFFFAOYSA-N -1 0 319.365 0.520 50 0 DCAARM CCOc1cc(C(=O)Nc2ccn(C)n2)ccc1OCC(=O)[O-] ZINC000585134341 416520401 /nfs/dbraw/zinc/52/04/01/416520401.db2.gz OSSYPVRRCAYENZ-UHFFFAOYSA-N -1 0 319.317 1.535 50 0 DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1sccc1Cl ZINC000654774394 418187003 /nfs/dbraw/zinc/18/70/03/418187003.db2.gz NPORFDYGSPKMFD-ZETCQYMHSA-N -1 0 311.768 0.876 50 0 DCAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)N1CCCOCC1 ZINC000650161580 418296392 /nfs/dbraw/zinc/29/63/92/418296392.db2.gz KNUFUMWSHVLRKX-UHFFFAOYSA-N -1 0 318.326 0.903 50 0 DCAARM COC1CC(CCNS(=O)(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000656717155 418371413 /nfs/dbraw/zinc/37/14/13/418371413.db2.gz JCUWEJXEULLTJD-UHFFFAOYSA-N -1 0 314.363 0.873 50 0 DCAARM Cn1cc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])cs2)cn1 ZINC000299750170 229393945 /nfs/dbraw/zinc/39/39/45/229393945.db2.gz MRQHRYPCAPDMOK-JTQLQIEISA-N -1 0 322.346 0.469 50 0 DCAARM CNC(=O)c1cncc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000492268363 272119530 /nfs/dbraw/zinc/11/95/30/272119530.db2.gz AFDBAUKFRBKSHJ-QMAVJUDZSA-N -1 0 303.318 0.530 50 0 DCAARM Cc1ccccc1[C@H](C(=O)NCC(=O)NCCC(=O)[O-])N(C)C ZINC000095511476 302170287 /nfs/dbraw/zinc/17/02/87/302170287.db2.gz ACPKZYYHUCNNBM-OAHLLOKOSA-N -1 0 321.377 0.305 50 0 DCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCN1CCOCC1 ZINC000299761346 334257945 /nfs/dbraw/zinc/25/79/45/334257945.db2.gz VLIPMPNRQCEJBM-HNNXBMFYSA-N -1 0 318.373 0.747 50 0 DCAARM CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000534672598 334321197 /nfs/dbraw/zinc/32/11/97/334321197.db2.gz GEPHKNVKWPLMIK-JTQLQIEISA-N -1 0 300.380 0.802 50 0 DCAARM COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C[C@H]2O ZINC000262668772 524921016 /nfs/dbraw/zinc/92/10/16/524921016.db2.gz WRMNERCDWPUNNJ-FXPVBKGRSA-N -1 0 321.329 0.800 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000261645828 526272234 /nfs/dbraw/zinc/27/22/34/526272234.db2.gz FCBAQCJKXFCCHR-LLVKDONJSA-N -1 0 301.306 0.599 50 0 DCAARM C[C@](O)(CNS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000090276944 545716060 /nfs/dbraw/zinc/71/60/60/545716060.db2.gz LIGXCSMHYVIVBD-JTQLQIEISA-N -1 0 311.718 0.593 50 0 DCAARM CCC(F)(F)C(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940400 548746926 /nfs/dbraw/zinc/74/69/26/548746926.db2.gz ITTXDCLVPGFNMD-YIZRAAEISA-N -1 0 302.281 0.844 50 0 DCAARM CN1CCO[C@@H]2CN(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)C[C@@H]21 ZINC000888097587 661176769 /nfs/dbraw/zinc/17/67/69/661176769.db2.gz KMZHJFUQWCOCRE-FEGLDZKKSA-N -1 0 316.357 0.939 50 0 DCAARM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCN(C)C(=O)C1)C2 ZINC000067785405 685070019 /nfs/dbraw/zinc/07/00/19/685070019.db2.gz VQDVRJMJASPQLK-NSHDSACASA-N -1 0 320.393 0.623 50 0 DCAARM CNc1nc(N2CCC(C(=O)[O-])(n3cccn3)CC2)ncc1F ZINC000072422273 685075626 /nfs/dbraw/zinc/07/56/26/685075626.db2.gz WYPGOIBXGVPQIQ-UHFFFAOYSA-N -1 0 320.328 0.934 50 0 DCAARM CCn1c(N[C@H]2COC[C@@H]2OC)nc2cc(C(=O)[O-])cnc21 ZINC001506421598 1017265236 /nfs/dbraw/zinc/26/52/36/1017265236.db2.gz RIYFFTYHUWPPIW-QWRGUYRKSA-N -1 0 306.322 0.975 50 0 DCAARM Cc1nc(N(C)C)ncc1C(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000095522617 185377388 /nfs/dbraw/zinc/37/73/88/185377388.db2.gz AFGWIXRWAPGWFX-LBPRGKRZSA-N -1 0 318.333 0.870 50 0 DCAARM Cn1cccc1-c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])[nH]n1 ZINC000072123950 191042034 /nfs/dbraw/zinc/04/20/34/191042034.db2.gz UNXXTAQRPUBHFY-JTQLQIEISA-N -1 0 318.333 0.731 50 0 DCAARM COC(=O)[C@H]1CCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000152456782 186075412 /nfs/dbraw/zinc/07/54/12/186075412.db2.gz KDIMQSOJEDWPCE-WDEREUQCSA-N -1 0 315.329 0.995 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3nonc3C)CC2)c1 ZINC000072480510 191181314 /nfs/dbraw/zinc/18/13/14/191181314.db2.gz CIKKZUFJIWEVLA-UHFFFAOYSA-N -1 0 319.321 0.599 50 0 DCAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000004117649 181075507 /nfs/dbraw/zinc/07/55/07/181075507.db2.gz PAZRNFHBUAVIRN-ZIAGYGMSSA-N -1 0 306.362 0.959 50 0 biogenic,in-vitro DCAARM O=C(C[C@@H]1NC(=O)c2ccccc21)NC1(C(=O)[O-])CCOCC1 ZINC000244594036 202483612 /nfs/dbraw/zinc/48/36/12/202483612.db2.gz DFKNFWRLVOPMHX-LBPRGKRZSA-N -1 0 318.329 0.611 50 0 DCAARM NC(=O)c1ccc(OCCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000261830130 238167355 /nfs/dbraw/zinc/16/73/55/238167355.db2.gz AHOQARATUSMWST-GFCCVEGCSA-N -1 0 306.318 0.630 50 0 DCAARM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262915311 238182856 /nfs/dbraw/zinc/18/28/56/238182856.db2.gz UADWMAXTFOALIV-VIFPVBQESA-N -1 0 323.349 0.714 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000018255879 182100737 /nfs/dbraw/zinc/10/07/37/182100737.db2.gz QQXQXQPYWRSPSW-WDEREUQCSA-N -1 0 301.302 0.375 50 0 DCAARM O=C([O-])C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020199479 182196781 /nfs/dbraw/zinc/19/67/81/182196781.db2.gz HYNNUTZFFRSPSA-UHFFFAOYSA-N -1 0 312.347 0.884 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000299745105 304198371 /nfs/dbraw/zinc/19/83/71/304198371.db2.gz WEXZDRVNNRLFEI-CYBMUJFWSA-N -1 0 307.302 0.774 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)CCn1ccc2ccccc21 ZINC000040309742 183053395 /nfs/dbraw/zinc/05/33/95/183053395.db2.gz LMUNAYUSFRDXLO-UHFFFAOYSA-N -1 0 303.318 0.348 50 0 biogenic DCAARM O=C(NC1CC1)[C@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000040478775 183076106 /nfs/dbraw/zinc/07/61/06/183076106.db2.gz KOUCXUPRKJMTOJ-QMMMGPOBSA-N -1 0 319.390 0.875 50 0 DCAARM COCCN1C[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])CC1=O ZINC000050195694 183776616 /nfs/dbraw/zinc/77/66/16/183776616.db2.gz XGQLMMGLBHVTGS-JTQLQIEISA-N -1 0 300.355 0.241 50 0 DCAARM O=C([O-])c1nccnc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000061721679 184186021 /nfs/dbraw/zinc/18/60/21/184186021.db2.gz CALSLJGJENTFDQ-UHFFFAOYSA-N -1 0 301.258 0.834 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000062118605 184206785 /nfs/dbraw/zinc/20/67/85/184206785.db2.gz FUZLQUVRCWGHOI-HTQZYQBOSA-N -1 0 308.256 0.330 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1 ZINC000062118607 184206979 /nfs/dbraw/zinc/20/69/79/184206979.db2.gz FUZLQUVRCWGHOI-SFYZADRCSA-N -1 0 308.256 0.330 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)CCO3)CCO1 ZINC000314961722 252643586 /nfs/dbraw/zinc/64/35/86/252643586.db2.gz OKQUJHCDIUWANO-XBPVQUQDSA-N -1 0 303.314 0.947 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2cncn2)cc1 ZINC000362698733 257235977 /nfs/dbraw/zinc/23/59/77/257235977.db2.gz QQUVRNLYMVGPQT-GFCCVEGCSA-N -1 0 302.290 0.193 50 0 DCAARM Cc1nccn1-c1ccccc1CNC(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426612726 257245421 /nfs/dbraw/zinc/24/54/21/257245421.db2.gz XMFBCMHZSMMYKW-UHFFFAOYSA-N -1 0 312.333 0.863 50 0 DCAARM Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000426490779 257248713 /nfs/dbraw/zinc/24/87/13/257248713.db2.gz XWCAURXXODIEJJ-LBPRGKRZSA-N -1 0 303.318 0.778 50 0 DCAARM Cc1cc(C)n(C[C@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])n1 ZINC000012397566 395687665 /nfs/dbraw/zinc/68/76/65/395687665.db2.gz GEACJFRCNKASIE-VIFPVBQESA-N -1 0 305.338 0.750 50 0 DCAARM C[C@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000012389229 395687669 /nfs/dbraw/zinc/68/76/69/395687669.db2.gz QKYAEWMMTGCAQC-QMMMGPOBSA-N -1 0 303.311 0.579 50 0 DCAARM Cn1nnnc1SCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000000544635 395680590 /nfs/dbraw/zinc/68/05/90/395680590.db2.gz VFLKCLRFMVRDQB-UHFFFAOYSA-N -1 0 307.335 0.317 50 0 DCAARM COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])cc1OC ZINC000001236689 395680619 /nfs/dbraw/zinc/68/06/19/395680619.db2.gz FDEWUQADCXNEKR-NSHDSACASA-N -1 0 308.334 0.479 50 0 DCAARM CCOC(=O)c1cnc(-n2[n-]c3c(c2=O)CCCC3)[nH]c1=O ZINC000001857456 395681248 /nfs/dbraw/zinc/68/12/48/395681248.db2.gz JMQKUBQDZZKADW-UHFFFAOYSA-N -1 0 304.306 0.304 50 0 DCAARM CC(C)(C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002269418 395681452 /nfs/dbraw/zinc/68/14/52/395681452.db2.gz GWLWMMHPHXGQBP-LBPRGKRZSA-N -1 0 306.362 0.961 50 0 DCAARM CCCCOc1ccc(CC(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000002279391 395681472 /nfs/dbraw/zinc/68/14/72/395681472.db2.gz PXJOOWKMXYKONS-UHFFFAOYSA-N -1 0 322.361 0.725 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3)c(=O)c1-2 ZINC000100048926 395762643 /nfs/dbraw/zinc/76/26/43/395762643.db2.gz PTCQESBPQMEHJX-QWRGUYRKSA-N -1 0 301.302 0.375 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100544193 395763216 /nfs/dbraw/zinc/76/32/16/395763216.db2.gz QDCLWKHKBCWTDH-DTWKUNHWSA-N -1 0 307.693 0.330 50 0 DCAARM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000169785283 396092583 /nfs/dbraw/zinc/09/25/83/396092583.db2.gz NKGUKFLYMNXNQA-VIFPVBQESA-N -1 0 312.355 0.373 50 0 DCAARM COCCS(=O)(=O)[N-]C(=O)c1ccc(NC(C)=O)cc1 ZINC000170625422 396096413 /nfs/dbraw/zinc/09/64/13/396096413.db2.gz BAEVAHGYCMVESL-UHFFFAOYSA-N -1 0 300.336 0.351 50 0 DCAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262916505 396191425 /nfs/dbraw/zinc/19/14/25/396191425.db2.gz DHXVRKWHSVCJIB-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM COc1cccc(CO[C@@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262959651 396194953 /nfs/dbraw/zinc/19/49/53/396194953.db2.gz JYBPRMYVCHKBQK-SMDDNHRTSA-N -1 0 323.345 0.912 50 0 DCAARM Cc1c(C(=O)NCc2cn(CC(=O)[O-])nn2)cnn1C(C)(C)C ZINC000262788009 158840815 /nfs/dbraw/zinc/84/08/15/158840815.db2.gz JYPAYINCZFKYLI-UHFFFAOYSA-N -1 0 320.353 0.553 50 0 DCAARM CCO[C@H]1C[C@](NC(=O)c2cccc(=O)n2C)(C(=O)[O-])C1(C)C ZINC000262808129 158842321 /nfs/dbraw/zinc/84/23/21/158842321.db2.gz NTCBXWZBKRNULP-ZBEGNZNMSA-N -1 0 322.361 0.774 50 0 DCAARM CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263307291 158870807 /nfs/dbraw/zinc/87/08/07/158870807.db2.gz HKZHKYNUPKXVIN-QNWHQSFQSA-N -1 0 314.382 0.790 50 0 DCAARM CCc1nnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)[nH]1 ZINC000329611068 159106485 /nfs/dbraw/zinc/10/64/85/159106485.db2.gz NZDVBPUKTTZHFO-UHFFFAOYSA-N -1 0 310.335 0.939 50 0 DCAARM O=C([O-])CCCNc1nc(Cl)nc(N2CCOCC2)n1 ZINC000001874132 415124371 /nfs/dbraw/zinc/12/43/71/415124371.db2.gz ZVRVJOGEXPXGMH-UHFFFAOYSA-N -1 0 301.734 0.638 50 0 DCAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000269082880 415249197 /nfs/dbraw/zinc/24/91/97/415249197.db2.gz JCHGALKJURPZNK-TZMCWYRMSA-N -1 0 306.362 0.819 50 0 DCAARM CC(C)[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000072404306 415413077 /nfs/dbraw/zinc/41/30/77/415413077.db2.gz WYNUVWKXIBKXMI-NSHDSACASA-N -1 0 307.354 0.417 50 0 DCAARM COc1cc2[nH]c3c(ncn(CC(=O)[O-])c3=O)c2cc1OC ZINC000067341438 415376433 /nfs/dbraw/zinc/37/64/33/415376433.db2.gz PEPQLUXVAQRUMU-UHFFFAOYSA-N -1 0 303.274 0.980 50 0 DCAARM CC(C)[C@@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)[O-] ZINC000075572853 415445391 /nfs/dbraw/zinc/44/53/91/415445391.db2.gz JCSGFWAKVFPQEU-CQSZACIVSA-N -1 0 317.345 0.701 50 0 DCAARM CN(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC000095350374 415547273 /nfs/dbraw/zinc/54/72/73/415547273.db2.gz DTZOTRMURFJHPL-GHMZBOCLSA-N -1 0 313.398 0.996 50 0 DCAARM Cc1nc(CN2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n(C)n1 ZINC000095352046 415550492 /nfs/dbraw/zinc/55/04/92/415550492.db2.gz HUKHMYRANYLONE-LLVKDONJSA-N -1 0 321.381 0.021 50 0 DCAARM CN(C)[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccccc1F ZINC000095358631 415553841 /nfs/dbraw/zinc/55/38/41/415553841.db2.gz SNADJFGPUCZRTL-LBPRGKRZSA-N -1 0 307.329 0.199 50 0 DCAARM Cc1cccc(C)c1CS(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000296999828 415945885 /nfs/dbraw/zinc/94/58/85/415945885.db2.gz QVOSUKPFTRHZNH-ZDUSSCGKSA-N -1 0 313.375 0.919 50 0 DCAARM O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cc(=O)[n-]o1 ZINC000216100669 416327470 /nfs/dbraw/zinc/32/74/70/416327470.db2.gz MJSXGICRPSLMIY-SNVBAGLBSA-N -1 0 303.322 0.404 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000238070421 416329821 /nfs/dbraw/zinc/32/98/21/416329821.db2.gz WFSQAPIBNIRDML-GFCCVEGCSA-N -1 0 301.306 0.280 50 0 DCAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)c2nc(N)n[nH]2)c1 ZINC000426578895 416777418 /nfs/dbraw/zinc/77/74/18/416777418.db2.gz YKNOIAXESZOXRD-LURJTMIESA-N -1 0 305.294 0.585 50 0 DCAARM O=C([O-])[C@H]1COCCN1S(=O)(=O)c1sccc1Cl ZINC000654774392 418186604 /nfs/dbraw/zinc/18/66/04/418186604.db2.gz NPORFDYGSPKMFD-SSDOTTSWSA-N -1 0 311.768 0.876 50 0 DCAARM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)[O-])CCS2(=O)=O ZINC000072267137 278380387 /nfs/dbraw/zinc/38/03/87/278380387.db2.gz DCZLIUMJKVXWOR-QMMMGPOBSA-N -1 0 305.352 0.495 50 0 DCAARM CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000262953384 278476218 /nfs/dbraw/zinc/47/62/18/278476218.db2.gz LLXJMUYBLADWRO-UMNHJUIQSA-N -1 0 317.407 0.911 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)N3CCOCC3)CC2)c1 ZINC000072474774 302398695 /nfs/dbraw/zinc/39/86/95/302398695.db2.gz WPZDCPBHUMJMPV-UHFFFAOYSA-N -1 0 322.365 0.519 50 0 DCAARM COc1cc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000268968882 533749888 /nfs/dbraw/zinc/74/98/88/533749888.db2.gz FGIORYIPWHQSDY-CQSZACIVSA-N -1 0 323.345 0.948 50 0 DCAARM CS(=O)(=O)NCc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1 ZINC000262303296 525204001 /nfs/dbraw/zinc/20/40/01/525204001.db2.gz LJFWUXHGMXINHM-UHFFFAOYSA-N -1 0 312.347 0.539 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000299742257 526681303 /nfs/dbraw/zinc/68/13/03/526681303.db2.gz AWKLWXYWEXJYLV-LBPRGKRZSA-N -1 0 308.359 0.922 50 0 DCAARM NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000261830264 545977668 /nfs/dbraw/zinc/97/76/68/545977668.db2.gz AKDMWWPCDJUGBS-NSHDSACASA-N -1 0 312.347 0.164 50 0 DCAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000262021621 545977729 /nfs/dbraw/zinc/97/77/29/545977729.db2.gz XUHXRAFBCGLPKL-DGCLKSJQSA-N -1 0 323.370 0.632 50 0 DCAARM CC(C)[C@@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000262161458 545980437 /nfs/dbraw/zinc/98/04/37/545980437.db2.gz PPEGXZQTOBRLKX-SNVBAGLBSA-N -1 0 318.351 0.369 50 0 DCAARM Cc1c[nH]cc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262193489 545980500 /nfs/dbraw/zinc/98/05/00/545980500.db2.gz NQQPVABHZYPINF-LLVKDONJSA-N -1 0 307.350 0.718 50 0 DCAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)nc2OC)C1 ZINC000263096347 545986673 /nfs/dbraw/zinc/98/66/73/545986673.db2.gz TUQICRCAXSQAJM-OAHLLOKOSA-N -1 0 308.334 0.962 50 0 DCAARM COc1ccc(C=N/N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1O ZINC000254762789 660734434 /nfs/dbraw/zinc/73/44/34/660734434.db2.gz AIBNZHQZRLPEFS-JTQLQIEISA-N -1 0 323.330 0.797 50 0 DCAARM CCCc1cc(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@@H]2C)[nH]n1 ZINC000055576479 685062209 /nfs/dbraw/zinc/06/22/09/685062209.db2.gz FLIAEKCMBVTBJM-VIFPVBQESA-N -1 0 308.338 0.120 50 0 DCAARM CC(=O)c1cnc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)nc1C ZINC001772706949 1157845078 /nfs/dbraw/zinc/84/50/78/1157845078.db2.gz QAIGJQOBFGHFBJ-ABAIWWIYSA-N -1 0 305.334 0.915 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)cc1C ZINC001704302130 1179967026 /nfs/dbraw/zinc/96/70/26/1179967026.db2.gz DUOPHVIJSPYMDR-STQMWFEESA-N -1 0 313.375 0.760 50 0 DCAARM O=C([O-])[C@@]1(Cc2ccccc2)CCN(C(=O)CCO)C[C@H]1O ZINC001704338402 1179978261 /nfs/dbraw/zinc/97/82/61/1179978261.db2.gz TZBKFCXVHCQLJW-CZUORRHYSA-N -1 0 307.346 0.276 50 0 DCAARM COc1cc2c(cc1CN1C[C@H](O)C[C@H]1C(=O)[O-])OCCCO2 ZINC001704355383 1179984266 /nfs/dbraw/zinc/98/42/66/1179984266.db2.gz SHQAYCHBKGBYLH-NEPJUHHUSA-N -1 0 323.345 0.876 50 0 DCAARM Nc1ccc(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1 ZINC000585138049 766293844 /nfs/dbraw/zinc/29/38/44/766293844.db2.gz KVSJAUSGYTVJII-GFCCVEGCSA-N -1 0 305.334 0.464 50 0 DCAARM Cc1ncnc(N2CCN(c3cnc(C(=O)[O-])cn3)CC2)c1C ZINC001529099121 1014495307 /nfs/dbraw/zinc/49/53/07/1014495307.db2.gz QRJPSUPDJUPRIP-UHFFFAOYSA-N -1 0 314.349 0.908 50 0 DCAARM NC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000225587211 186280418 /nfs/dbraw/zinc/28/04/18/186280418.db2.gz GHUVTELTVUTTNA-WDEREUQCSA-N -1 0 312.347 0.317 50 0 DCAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)Cn3cccn3)CC2)c1 ZINC000072411501 191153916 /nfs/dbraw/zinc/15/39/16/191153916.db2.gz GXTRXPJIFYIMBS-UHFFFAOYSA-N -1 0 317.349 0.491 50 0 DCAARM CCOC(=O)C(=O)N(Cc1n[nH]c(=O)[n-]1)c1cccc(OC)c1 ZINC000072405413 191152000 /nfs/dbraw/zinc/15/20/00/191152000.db2.gz XLMQOBIGJGMSMQ-UHFFFAOYSA-N -1 0 320.305 0.203 50 0 DCAARM CCN(C[C@@H](O)COc1ccc(C)cc1OC)S(=O)(=O)[O-] ZINC000003117444 180982990 /nfs/dbraw/zinc/98/29/90/180982990.db2.gz YUDYOOYVPWFNCP-LLVKDONJSA-N -1 0 319.379 0.868 50 0 DCAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)[O-])cc2oc1=O ZINC000004041993 181066247 /nfs/dbraw/zinc/06/62/47/181066247.db2.gz HINZRUGCONLKJB-UHFFFAOYSA-N -1 0 305.286 0.989 50 0 biogenic DCAARM CCn1ncc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000004294530 181093540 /nfs/dbraw/zinc/09/35/40/181093540.db2.gz SFTHHJOKHDTDIK-UHFFFAOYSA-N -1 0 301.368 0.697 50 0 DCAARM CCOc1ccc(-c2c(C(=O)[O-])nnn2-c2nonc2N)cc1 ZINC000005451619 181244595 /nfs/dbraw/zinc/24/45/95/181244595.db2.gz CHEQLLGPCKUFSX-UHFFFAOYSA-N -1 0 316.277 0.996 50 0 DCAARM CCCN(CC(=O)[O-])C(=O)Cn1c2ccccc2n(C)c1=O ZINC000236919466 202072418 /nfs/dbraw/zinc/07/24/18/202072418.db2.gz SPMUMNOFSDLIRQ-UHFFFAOYSA-N -1 0 305.334 0.663 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)CCO1 ZINC000299752816 304132374 /nfs/dbraw/zinc/13/23/74/304132374.db2.gz VOMRAACFRMWJMX-NSHDSACASA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN1CSCC1=O ZINC000252431720 304148758 /nfs/dbraw/zinc/14/87/58/304148758.db2.gz ORHDNQHWUOYFCX-MXWKQRLJSA-N -1 0 312.391 0.764 50 0 DCAARM CC[C@@H](C)[C@@H](NC(=O)C1CCN(C(=O)N(C)C)CC1)C(=O)[O-] ZINC000095949215 193455372 /nfs/dbraw/zinc/45/53/72/193455372.db2.gz CPWBMHNICCVBMT-ZYHUDNBSSA-N -1 0 313.398 0.996 50 0 DCAARM CCNC(=O)[C@@H](C)NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009154314 181603904 /nfs/dbraw/zinc/60/39/04/181603904.db2.gz LXHHZEGJTUTMIE-SNVBAGLBSA-N -1 0 313.379 0.508 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000018097850 182092862 /nfs/dbraw/zinc/09/28/62/182092862.db2.gz OCYOUKBIWMOJHK-WDEREUQCSA-N -1 0 301.302 0.294 50 0 DCAARM CS(=O)(=O)[N-]C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000040544054 183098932 /nfs/dbraw/zinc/09/89/32/183098932.db2.gz DIZKLXWDIDLAGI-UHFFFAOYSA-N -1 0 313.310 0.884 50 0 DCAARM CC(C)N(CCC(N)=O)C(=O)c1ccccc1NCC(=O)[O-] ZINC000065372188 184329823 /nfs/dbraw/zinc/32/98/23/184329823.db2.gz BUPXAMJGMLRSHQ-UHFFFAOYSA-N -1 0 307.350 0.909 50 0 DCAARM COc1ccccc1CCC(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000321942229 257242024 /nfs/dbraw/zinc/24/20/24/257242024.db2.gz BOWKHQOHOLWXLS-GFCCVEGCSA-N -1 0 320.345 0.430 50 0 DCAARM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000284655055 131100680 /nfs/dbraw/zinc/10/06/80/131100680.db2.gz DLTJFWBDNYLEQF-ZETCQYMHSA-N -1 0 304.372 0.586 50 0 DCAARM O=C([O-])CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000008765469 395684909 /nfs/dbraw/zinc/68/49/09/395684909.db2.gz RKVIQLDRKRRNBM-VIFPVBQESA-N -1 0 306.274 0.701 50 0 biogenic DCAARM Nc1nonc1-n1nnc(C(=O)[O-])c1CSc1ccccn1 ZINC000009130092 395685143 /nfs/dbraw/zinc/68/51/43/395685143.db2.gz SAAFQTQJRSHYAX-UHFFFAOYSA-N -1 0 319.306 0.618 50 0 DCAARM CCC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020289921 395691098 /nfs/dbraw/zinc/69/10/98/395691098.db2.gz XXJRYQHXGZXUBM-OUKQBFOZSA-N -1 0 317.345 0.824 50 0 DCAARM Cc1ccc([C@H](CNC(=O)Nc2nnn[n-]2)N2CCOCC2)o1 ZINC000023213920 395692260 /nfs/dbraw/zinc/69/22/60/395692260.db2.gz JXTPYAOTVSYTFM-JTQLQIEISA-N -1 0 321.341 0.296 50 0 DCAARM O=C([O-])CC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000002456303 395681608 /nfs/dbraw/zinc/68/16/08/395681608.db2.gz NWCQWAMRJKYMKJ-UHFFFAOYSA-N -1 0 306.318 0.211 50 0 DCAARM CC(=O)Nc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000003269047 395682392 /nfs/dbraw/zinc/68/23/92/395682392.db2.gz OUVNEDIUOZRZKP-UHFFFAOYSA-N -1 0 300.336 0.788 50 0 DCAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)n1 ZINC000036611036 395723803 /nfs/dbraw/zinc/72/38/03/395723803.db2.gz ZFIUTISUNPNCGM-RKDXNWHRSA-N -1 0 308.338 0.831 50 0 DCAARM CC(=O)N[C@H](C)C(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000089632197 395713858 /nfs/dbraw/zinc/71/38/58/395713858.db2.gz RJJOIOJOGVQKAP-BXUZGUMPSA-N -1 0 306.362 0.879 50 0 DCAARM Cc1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)s1 ZINC000029028753 395696620 /nfs/dbraw/zinc/69/66/20/395696620.db2.gz FZRQTVJGDYYUQR-UHFFFAOYSA-N -1 0 316.364 0.942 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)cc(C)c3)c(=O)c1-2 ZINC000100639777 395763578 /nfs/dbraw/zinc/76/35/78/395763578.db2.gz KNLOLCCCXCVSNW-MNOVXSKESA-N -1 0 301.302 0.294 50 0 DCAARM O=S(=O)(C[C@@H](O)CO)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000195211912 395821641 /nfs/dbraw/zinc/82/16/41/395821641.db2.gz GJTGGESEOMWGNR-LBPRGKRZSA-N -1 0 323.374 0.087 50 0 DCAARM CC(=O)c1cc(CN2CCc3c([n-]n(CCO)c3=O)C2)cs1 ZINC000214971289 395836648 /nfs/dbraw/zinc/83/66/48/395836648.db2.gz WEYQAMTXOXSBBD-UHFFFAOYSA-N -1 0 321.402 0.991 50 0 DCAARM Cc1cccc([C@@H](NC(=O)CCN2CCOCC2)C(=O)[O-])c1 ZINC000219150126 395844438 /nfs/dbraw/zinc/84/44/38/395844438.db2.gz MHHVJKYAUKGVRW-OAHLLOKOSA-N -1 0 306.362 0.959 50 0 DCAARM Cc1cc(=O)[nH]c(CNC(=O)c2ccccc2NCC(=O)[O-])n1 ZINC000055393182 395918838 /nfs/dbraw/zinc/91/88/38/395918838.db2.gz FVZTZUHLTRGUBP-UHFFFAOYSA-N -1 0 316.317 0.505 50 0 DCAARM C[C@@H]1Oc2cc(S(=O)(=O)[N-]c3ccn(C)n3)ccc2NC1=O ZINC000252509166 396022544 /nfs/dbraw/zinc/02/25/44/396022544.db2.gz YDVUMIFOVWQSIQ-QMMMGPOBSA-N -1 0 322.346 0.940 50 0 DCAARM O=C(Cc1ccc2c(c1)OCO2)NCCn1[n-]c(=O)ccc1=O ZINC000067673539 396031066 /nfs/dbraw/zinc/03/10/66/396031066.db2.gz HGFPIFHFAZSTPX-UHFFFAOYSA-N -1 0 317.301 0.037 50 0 DCAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000071286322 396111579 /nfs/dbraw/zinc/11/15/79/396111579.db2.gz FXVRDISCJQZWOV-NXEZZACHSA-N -1 0 312.347 0.629 50 0 DCAARM Cc1ccc(C(=O)NCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000262833174 396186428 /nfs/dbraw/zinc/18/64/28/396186428.db2.gz YBPYCESJUWABQL-ZDUSSCGKSA-N -1 0 320.345 0.345 50 0 DCAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262928080 396192047 /nfs/dbraw/zinc/19/20/47/396192047.db2.gz FXAGIGJORHDZAH-SDDRHHMPSA-N -1 0 301.339 0.273 50 0 DCAARM COc1cc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000263014917 396198013 /nfs/dbraw/zinc/19/80/13/396198013.db2.gz RQEHERZZOFGIEN-CQSZACIVSA-N -1 0 323.345 0.948 50 0 DCAARM CCn1c(C)cc(C)c(C(=O)NCCCc2nn[n-]n2)c1=O ZINC000584903609 396636960 /nfs/dbraw/zinc/63/69/60/396636960.db2.gz MUTLTEVQUZDSLB-UHFFFAOYSA-N -1 0 304.354 0.361 50 0 DCAARM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000630247791 396968828 /nfs/dbraw/zinc/96/88/28/396968828.db2.gz BFGHPXADYMADTN-XHDPSFHLSA-N -1 0 312.366 0.193 50 0 DCAARM Cc1ccc2c(c1)[N-]N=C(C(=O)N1CCOCC1)S2(=O)=O ZINC000062592027 292335844 /nfs/dbraw/zinc/33/58/44/292335844.db2.gz ASCQVHJOZPZJCS-UHFFFAOYSA-N -1 0 309.347 0.367 50 0 DCAARM Cn1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1=O ZINC000329160662 159068487 /nfs/dbraw/zinc/06/84/87/159068487.db2.gz FHIHVUJWAQRMGS-SNVBAGLBSA-N -1 0 303.322 0.576 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000268995034 415248511 /nfs/dbraw/zinc/24/85/11/415248511.db2.gz VEBVMIAKJGONJO-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1[n-]c(=O)ccc1=O ZINC000048290498 415288071 /nfs/dbraw/zinc/28/80/71/415288071.db2.gz JFJKNMAURPPISR-NWDGAFQWSA-N -1 0 309.366 0.660 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 ZINC000062913612 415348091 /nfs/dbraw/zinc/34/80/91/415348091.db2.gz ANCKDWVQDFBFKI-GXFFZTMASA-N -1 0 318.395 0.124 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000095949208 415562259 /nfs/dbraw/zinc/56/22/59/415562259.db2.gz GCSRRHHONNPVLO-CHWSQXEVSA-N -1 0 308.378 0.958 50 0 DCAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1ccccc1OC(F)(F)F ZINC000095985922 415568183 /nfs/dbraw/zinc/56/81/83/415568183.db2.gz DNEAMBCIUJCXQM-UHFFFAOYSA-N -1 0 316.239 0.969 50 0 DCAARM Cc1cc(N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)nc(C)n1 ZINC000118951190 415737233 /nfs/dbraw/zinc/73/72/33/415737233.db2.gz MYWJEDNNAKFROJ-UHFFFAOYSA-N -1 0 304.350 0.607 50 0 DCAARM CC(C)S(=O)(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299793915 416068917 /nfs/dbraw/zinc/06/89/17/416068917.db2.gz IPMQUCPXXJVFHR-DTWKUNHWSA-N -1 0 302.356 0.033 50 0 DCAARM COCCN1C(=O)C[C@](CC(=O)[O-])(c2ccccc2F)C1=O ZINC000299789565 416070209 /nfs/dbraw/zinc/07/02/09/416070209.db2.gz ZPGQWRVMIZAOBT-HNNXBMFYSA-N -1 0 309.293 0.944 50 0 DCAARM CCCCS(=O)(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299801266 416071835 /nfs/dbraw/zinc/07/18/35/416071835.db2.gz XNMKLYLFIYHVNC-VHSXEESVSA-N -1 0 316.383 0.425 50 0 DCAARM COCCN1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1=O ZINC000170581173 416027764 /nfs/dbraw/zinc/02/77/64/416027764.db2.gz JJURPENAYORRFM-OCCSQVGLSA-N -1 0 320.345 0.423 50 0 DCAARM O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cc(=O)[n-]o1 ZINC000215483575 416326979 /nfs/dbraw/zinc/32/69/79/416326979.db2.gz GYNDQQIHEYVWQQ-GFCCVEGCSA-N -1 0 318.333 0.166 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000238044042 416329802 /nfs/dbraw/zinc/32/98/02/416329802.db2.gz DNATURMYSDGZGK-CYBMUJFWSA-N -1 0 315.329 0.862 50 0 DCAARM Cn1nccc1S(=O)(=O)N1CCc2ccc(CC(=O)[O-])cc21 ZINC000451104793 417297487 /nfs/dbraw/zinc/29/74/87/417297487.db2.gz AOHAULKILLEHFH-UHFFFAOYSA-N -1 0 321.358 0.799 50 0 DCAARM O=S(=O)(Cc1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000575314505 417527429 /nfs/dbraw/zinc/52/74/29/417527429.db2.gz PZDOHCPVKUWGMW-LBPRGKRZSA-N -1 0 307.379 0.909 50 0 DCAARM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000659171115 418068082 /nfs/dbraw/zinc/06/80/82/418068082.db2.gz IDTRPMAFVIWBPK-WCQYABFASA-N -1 0 304.302 0.543 50 0 DCAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC000656239199 418337983 /nfs/dbraw/zinc/33/79/83/418337983.db2.gz WGXUORNAXTZDMR-QWRGUYRKSA-N -1 0 317.407 0.913 50 0 DCAARM CN1C(=O)C[C@H](C(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000378169572 289832791 /nfs/dbraw/zinc/83/27/91/289832791.db2.gz SOOLUSUMEJUZGD-AAEUAGOBSA-N -1 0 318.329 0.449 50 0 DCAARM COc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cc1C(=O)[O-] ZINC000095350444 295134096 /nfs/dbraw/zinc/13/40/96/295134096.db2.gz SQYDMCYXOSXCOG-QMMMGPOBSA-N -1 0 315.347 0.443 50 0 DCAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N1C(=O)NC2(CCCC2)C1=O ZINC000262092298 298031628 /nfs/dbraw/zinc/03/16/28/298031628.db2.gz HFVYDGHEEVPQQE-NXEZZACHSA-N -1 0 323.349 0.315 50 0 DCAARM Cn1nc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c2ccccc21 ZINC000244795789 303041805 /nfs/dbraw/zinc/04/18/05/303041805.db2.gz RNQZMRMJIBJKFV-JTQLQIEISA-N -1 0 303.318 0.889 50 0 DCAARM NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000036904910 303298300 /nfs/dbraw/zinc/29/83/00/303298300.db2.gz FVEQJAZFSKYTOK-SSDOTTSWSA-N -1 0 318.376 0.332 50 0 DCAARM CC(=O)N[C@H]1CCN(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C1 ZINC000534646491 334306169 /nfs/dbraw/zinc/30/61/69/334306169.db2.gz IHMUWXISUCFCPK-WCQYABFASA-N -1 0 321.333 0.438 50 0 DCAARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299753298 533940841 /nfs/dbraw/zinc/94/08/41/533940841.db2.gz XSOZDFVVUBCTDE-MFKMUULPSA-N -1 0 304.302 0.638 50 0 DCAARM O=C(CN1CCC[C@H]1C(=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000262681141 534534732 /nfs/dbraw/zinc/53/47/32/534534732.db2.gz WBOUHHQIXXNAJW-OLZOCXBDSA-N -1 0 304.346 0.655 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000262508001 534539791 /nfs/dbraw/zinc/53/97/91/534539791.db2.gz JPQTXZWBJQPQCD-CQSZACIVSA-N -1 0 315.329 0.727 50 0 DCAARM CO[C@@H](CNC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC000227264783 523532594 /nfs/dbraw/zinc/53/25/94/523532594.db2.gz WJQLRVYLNFIPIU-VIFPVBQESA-N -1 0 301.682 0.898 50 0 DCAARM C[C@@H](CC(=O)[O-])NC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000262834535 524393704 /nfs/dbraw/zinc/39/37/04/524393704.db2.gz YGBLPAWRNXTCDX-VXJOIVPMSA-N -1 0 319.317 0.334 50 0 DCAARM Cn1cnc2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)ccc2c1=O ZINC000216049880 545939436 /nfs/dbraw/zinc/93/94/36/545939436.db2.gz YDXRSMBAINXHID-NSHDSACASA-N -1 0 315.329 0.870 50 0 DCAARM CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000584908022 600590197 /nfs/dbraw/zinc/59/01/97/600590197.db2.gz YVDJUJAGLAWPOH-GFCCVEGCSA-N -1 0 314.363 0.162 50 0 DCAARM CSc1ncc(C(=O)[O-])c(N[C@H]2CCS(=O)(=O)C2)n1 ZINC000149833620 685131881 /nfs/dbraw/zinc/13/18/81/685131881.db2.gz XLHKUMDCQIKIJW-LURJTMIESA-N -1 0 303.365 0.496 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)cc1F ZINC001704339004 1179977742 /nfs/dbraw/zinc/97/77/42/1179977742.db2.gz BJQLHOWUCVFXOH-CMPLNLGQSA-N -1 0 317.338 0.590 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC001704338946 1179978186 /nfs/dbraw/zinc/97/81/86/1179978186.db2.gz LQYKCJOPSLCUKA-GXSJLCMTSA-N -1 0 317.338 0.590 50 0 DCAARM CCn1nnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)n1 ZINC000585128842 766290115 /nfs/dbraw/zinc/29/01/15/766290115.db2.gz OZOBXUYDASYXTQ-UHFFFAOYSA-N -1 0 311.367 1.281 50 0 DCAARM Cc1ncnc(N2CCN(C(=O)NCCC(=O)[O-])CC2)c1C ZINC001506419681 1017266286 /nfs/dbraw/zinc/26/62/86/1017266286.db2.gz VADBBSKULWVSAB-UHFFFAOYSA-N -1 0 307.354 0.400 50 0 DCAARM O=C(Cc1ccc(C(F)(F)F)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000078995220 185142680 /nfs/dbraw/zinc/14/26/80/185142680.db2.gz POOACEYQYCXKJH-UHFFFAOYSA-N -1 0 300.240 0.976 50 0 DCAARM Cc1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)nn1-c1ccccc1 ZINC000095456620 185370045 /nfs/dbraw/zinc/37/00/45/185370045.db2.gz JYMUVSZAUZIWNO-UHFFFAOYSA-N -1 0 313.317 0.720 50 0 DCAARM O=C([O-])CC[C@]1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O ZINC000071657829 190997625 /nfs/dbraw/zinc/99/76/25/190997625.db2.gz PCFRDNPDGMMGQK-CQSZACIVSA-N -1 0 303.274 0.081 50 0 DCAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237503689 186298368 /nfs/dbraw/zinc/29/83/68/186298368.db2.gz AYXZTUBWUPSRRN-ZANVPECISA-N -1 0 309.366 0.528 50 0 DCAARM CCC(=O)Nc1nnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1 ZINC000072438158 191166545 /nfs/dbraw/zinc/16/65/45/191166545.db2.gz HTMGUHNKLGMNLQ-ZETCQYMHSA-N -1 0 320.396 0.344 50 0 DCAARM NS(=O)(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000004324931 181097754 /nfs/dbraw/zinc/09/77/54/181097754.db2.gz ANEFNOFPZXUALH-UHFFFAOYSA-N -1 0 322.302 0.075 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000004352519 181101083 /nfs/dbraw/zinc/10/10/83/181101083.db2.gz WWOFOTPRBADOQH-ONGXEEELSA-N -1 0 306.249 0.633 50 0 DCAARM Cc1cc(C)nc(-n2[n-]c(CSc3nnnn3C)cc2=O)n1 ZINC000004502286 181116295 /nfs/dbraw/zinc/11/62/95/181116295.db2.gz IFUXEAPWKKEPTN-UHFFFAOYSA-N -1 0 318.366 0.502 50 0 DCAARM CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004521950 181119625 /nfs/dbraw/zinc/11/96/25/181119625.db2.gz HXNOBARAJMZKMB-UHFFFAOYSA-N -1 0 304.393 0.843 50 0 DCAARM Cc1cccc(CSc2nnc(CCC(=O)[O-])c(=O)n2N)c1 ZINC000004854829 181163739 /nfs/dbraw/zinc/16/37/39/181163739.db2.gz YJRMYIGRSLVXJR-UHFFFAOYSA-N -1 0 320.374 0.970 50 0 DCAARM COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3nnnn32)c1 ZINC000004942705 181176803 /nfs/dbraw/zinc/17/68/03/181176803.db2.gz AEAUHKCPAGUVON-SNVBAGLBSA-N -1 0 303.278 0.674 50 0 DCAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1OC ZINC000004942698 181177125 /nfs/dbraw/zinc/17/71/25/181177125.db2.gz QIIMLHPPTOESNG-VIFPVBQESA-N -1 0 303.278 0.674 50 0 DCAARM CC(C)[C@@H](C(=O)N[C@H](C)C(=O)[O-])n1nnc2ccccc2c1=O ZINC000005789827 181284102 /nfs/dbraw/zinc/28/41/02/181284102.db2.gz VVOFXJZMSNYBFE-SKDRFNHKSA-N -1 0 318.333 0.578 50 0 DCAARM COc1ccc(C(=O)NCCC(=O)NCCCC(=O)[O-])cc1 ZINC000002297612 236848910 /nfs/dbraw/zinc/84/89/10/236848910.db2.gz KKFSEIQDMRNRBD-UHFFFAOYSA-N -1 0 308.334 0.796 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)Cn2cccc2)C[C@H]1c1cn[nH]n1 ZINC000299790245 304084106 /nfs/dbraw/zinc/08/41/06/304084106.db2.gz BGRJSBAKGICUID-WDEREUQCSA-N -1 0 303.322 0.323 50 0 DCAARM Cn1cc(Br)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000089750012 192857279 /nfs/dbraw/zinc/85/72/79/192857279.db2.gz JXRCNVFMMNRBAJ-UHFFFAOYSA-N -1 0 300.116 0.129 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000262105172 238171192 /nfs/dbraw/zinc/17/11/92/238171192.db2.gz JDPUBRCXVVGNGG-NSHDSACASA-N -1 0 301.306 0.599 50 0 DCAARM O=C([O-])COc1cccc(CNC(=O)CN2CSCC2=O)c1 ZINC000262735874 238179427 /nfs/dbraw/zinc/17/94/27/238179427.db2.gz IQFARXCPHFZNNO-UHFFFAOYSA-N -1 0 324.358 0.299 50 0 DCAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000268925329 238251386 /nfs/dbraw/zinc/25/13/86/238251386.db2.gz VJSBNOBFLKUTJU-RQJHMYQMSA-N -1 0 318.255 0.744 50 0 DCAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])[nH]c(=O)[nH]c2=O)cc1 ZINC000006499020 181346549 /nfs/dbraw/zinc/34/65/49/181346549.db2.gz XWZUFKMEGYKBSH-UHFFFAOYSA-N -1 0 319.273 0.198 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000299749604 304134619 /nfs/dbraw/zinc/13/46/19/304134619.db2.gz KYYQLGJZJXVGKM-NSHDSACASA-N -1 0 307.302 0.312 50 0 DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1F ZINC000088376742 304136302 /nfs/dbraw/zinc/13/63/02/304136302.db2.gz MFRVWHRJVWTJIY-VIFPVBQESA-N -1 0 323.729 0.953 50 0 DCAARM O=C(CCn1ccnn1)[N-]S(=O)(=O)N1CCCCCCC1 ZINC000252488846 202844775 /nfs/dbraw/zinc/84/47/75/202844775.db2.gz JAHPLTKMOURFBK-UHFFFAOYSA-N -1 0 315.399 0.295 50 0 DCAARM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000096295089 193610798 /nfs/dbraw/zinc/61/07/98/193610798.db2.gz QBHIMUJMJNXIRK-BJMVGYQFSA-N -1 0 321.362 0.824 50 0 DCAARM CO[N-]C(=O)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(C)C ZINC000012999504 181820661 /nfs/dbraw/zinc/82/06/61/181820661.db2.gz ZBIVIFCXEPOPCF-LLVKDONJSA-N -1 0 311.363 0.427 50 0 DCAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NC[C@@H]2CCCO2)C1=O ZINC000020333059 182209170 /nfs/dbraw/zinc/20/91/70/182209170.db2.gz DYPMZRYQWSEXKI-OCUQMRJBSA-N -1 0 309.366 0.908 50 0 DCAARM O=c1[n-]c(=O)c(N2CCN(c3cccc(Cl)c3)CC2)n[nH]1 ZINC000021361027 182273028 /nfs/dbraw/zinc/27/30/28/182273028.db2.gz KKRBFQGQPFJCCA-UHFFFAOYSA-N -1 0 307.741 0.438 50 0 DCAARM CC(C)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-] ZINC000041125009 183168786 /nfs/dbraw/zinc/16/87/86/183168786.db2.gz FLCXKYKAKDZINF-SNVBAGLBSA-N -1 0 314.319 0.921 50 0 DCAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CNC(=O)c4ccccc4NC(=O)[C@@H]13)O2 ZINC000037133131 304210325 /nfs/dbraw/zinc/21/03/25/304210325.db2.gz SCRYGNWYNGHETK-OVZMXSCWSA-N -1 0 314.297 0.393 50 0 DCAARM COc1ccc(CN2CC[N@H+](C)[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC000106705820 194245112 /nfs/dbraw/zinc/24/51/12/194245112.db2.gz LUZHAVGDVRUAAA-LBPRGKRZSA-N -1 0 308.334 0.594 50 0 DCAARM O=C(Cn1cnc2ccccc2c1=O)[N-]O[C@@H]1CCCCO1 ZINC000058418163 184115291 /nfs/dbraw/zinc/11/52/91/184115291.db2.gz JLSFTOSOZBXUMV-CQSZACIVSA-N -1 0 303.318 0.971 50 0 DCAARM COc1ccc([C@H](CC(=O)[N-]S(C)(=O)=O)NC(C)=O)cc1 ZINC000065437297 184345239 /nfs/dbraw/zinc/34/52/39/184345239.db2.gz LBILOJRFGQRDFX-LBPRGKRZSA-N -1 0 314.363 0.338 50 0 DCAARM CCOC(=O)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000065538835 184362834 /nfs/dbraw/zinc/36/28/34/184362834.db2.gz VMYMATMCUCNZFV-ZETCQYMHSA-N -1 0 321.358 0.893 50 0 DCAARM O=C([O-])c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011755823 304265346 /nfs/dbraw/zinc/26/53/46/304265346.db2.gz XWOSWGHVFUMWOU-SNVBAGLBSA-N -1 0 304.345 0.346 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 ZINC000238130402 256600623 /nfs/dbraw/zinc/60/06/23/256600623.db2.gz UNXCCRNFURWNPG-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM CC(C)c1nccc(C(=O)N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)n1 ZINC000426383011 257252579 /nfs/dbraw/zinc/25/25/79/257252579.db2.gz DAUQTISMNSINKY-QMMMGPOBSA-N -1 0 318.337 0.836 50 0 DCAARM NC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1[O-] ZINC000010275765 395686009 /nfs/dbraw/zinc/68/60/09/395686009.db2.gz MGPYXZJSJIEVCL-UHFFFAOYSA-N -1 0 310.107 0.800 50 0 DCAARM O=C([O-])CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002124477 395681239 /nfs/dbraw/zinc/68/12/39/395681239.db2.gz OEJJMTXJVBHCSO-UHFFFAOYSA-N -1 0 317.297 0.861 50 0 biogenic DCAARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNn3cnnc3)C2=O)c1 ZINC000006557011 395683015 /nfs/dbraw/zinc/68/30/15/395683015.db2.gz BBWHAWFLVNFEPH-IZZDOVSWSA-N -1 0 312.289 0.297 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000035126723 395718979 /nfs/dbraw/zinc/71/89/79/395718979.db2.gz UJLKTHDDBGMNCG-UHFFFAOYSA-N -1 0 320.317 0.356 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC000035126633 395719066 /nfs/dbraw/zinc/71/90/66/395719066.db2.gz LKVVRSIMQWXENV-UHFFFAOYSA-N -1 0 312.391 0.694 50 0 DCAARM COc1c(/C=C2\NC(=S)NC2=O)cccc1OCC(=O)[O-] ZINC000036245378 395722957 /nfs/dbraw/zinc/72/29/57/395722957.db2.gz IAOCJEATEQVXBA-YVMONPNESA-N -1 0 308.315 0.504 50 0 DCAARM CO[N-]C(=O)C1(NC2=NS(=O)(=O)c3ccccc32)CCCC1 ZINC000097212485 395756012 /nfs/dbraw/zinc/75/60/12/395756012.db2.gz ZCZGFMNCCLFESF-UHFFFAOYSA-N -1 0 323.374 0.716 50 0 DCAARM COCCCn1cnnc1[C@@H](C)NC(=O)c1[nH]cnc1C(=O)[O-] ZINC000097301270 395756887 /nfs/dbraw/zinc/75/68/87/395756887.db2.gz MWFLERAWLXYSNT-MRVPVSSYSA-N -1 0 322.325 0.227 50 0 DCAARM Cc1nc(N)sc1-c1nc([C@H]2CCOC2)nn1CC(=O)[O-] ZINC000097505414 395758448 /nfs/dbraw/zinc/75/84/48/395758448.db2.gz ZBAGTBSGXAMEJB-ZETCQYMHSA-N -1 0 309.351 0.881 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100050406 395762738 /nfs/dbraw/zinc/76/27/38/395762738.db2.gz MPOQDJNXYFLADA-IUCAKERBSA-N -1 0 307.693 0.330 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100165759 395762825 /nfs/dbraw/zinc/76/28/25/395762825.db2.gz BLARNBWXGUKFJQ-PSASIEDQSA-N -1 0 308.677 0.757 50 0 DCAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000100165781 395762827 /nfs/dbraw/zinc/76/28/27/395762827.db2.gz IQTJYXGILGFVMQ-CMPLNLGQSA-N -1 0 318.285 0.503 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000100544185 395763226 /nfs/dbraw/zinc/76/32/26/395763226.db2.gz NSDBTGQATAHIJG-VXGBXAGGSA-N -1 0 315.329 0.684 50 0 DCAARM CCOC(=O)c1ccc(NC(C)=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000101043887 395763889 /nfs/dbraw/zinc/76/38/89/395763889.db2.gz ROJZBJQDYJXSRB-UHFFFAOYSA-N -1 0 317.301 0.915 50 0 DCAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nnc(CC)[nH]1 ZINC000239762499 395924030 /nfs/dbraw/zinc/92/40/30/395924030.db2.gz CLSAGQFIGAUMNG-UHFFFAOYSA-N -1 0 314.327 0.068 50 0 DCAARM C[C@@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1)n1ccnc1 ZINC000067967351 396040619 /nfs/dbraw/zinc/04/06/19/396040619.db2.gz YYWLVKOFEMXBNS-VIFPVBQESA-N -1 0 303.322 0.461 50 0 DCAARM CN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1C(=O)[O-] ZINC000071278962 396111540 /nfs/dbraw/zinc/11/15/40/396111540.db2.gz MJHRZGMQFQMNGJ-GFCCVEGCSA-N -1 0 315.333 0.313 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cn(Cc3cccs3)nn2)CCO1 ZINC000262385253 396133648 /nfs/dbraw/zinc/13/36/48/396133648.db2.gz JCGOQDSVABRHGH-LLVKDONJSA-N -1 0 322.346 0.314 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)N1CCC[C@@H]1c1ccncc1 ZINC000069348600 396076069 /nfs/dbraw/zinc/07/60/69/396076069.db2.gz QXTPPKMERUWSSL-GFCCVEGCSA-N -1 0 300.318 0.295 50 0 DCAARM CN(CC(=O)[O-])S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000261934433 396080871 /nfs/dbraw/zinc/08/08/71/396080871.db2.gz ZHXALYUTBVBRHY-UHFFFAOYSA-N -1 0 321.738 0.816 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)CCO1 ZINC000261969872 396085181 /nfs/dbraw/zinc/08/51/81/396085181.db2.gz PXAWTLFHDIXWTC-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM C[C@@H](CC(=O)[O-])NC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000262834524 396186458 /nfs/dbraw/zinc/18/64/58/396186458.db2.gz YGBLPAWRNXTCDX-AYVTZFPOSA-N -1 0 319.317 0.334 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000262975819 396195480 /nfs/dbraw/zinc/19/54/80/396195480.db2.gz MHLSTDGMERMWFW-CYBMUJFWSA-N -1 0 307.302 0.312 50 0 DCAARM O=C([O-])Cn1cc(C(=O)Nc2ccc3c(c2)CCCN3)nn1 ZINC000585136631 396641493 /nfs/dbraw/zinc/64/14/93/396641493.db2.gz NRGICMFWXNDIBE-UHFFFAOYSA-N -1 0 301.306 0.973 50 0 DCAARM O=C(NCCn1nc2c(cc1=O)CCC2)c1cncc(O)c1 ZINC000585150557 396642126 /nfs/dbraw/zinc/64/21/26/396642126.db2.gz QONSRDHJDCUDGL-UHFFFAOYSA-N -1 0 300.318 0.263 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)c1ccc(C(C)C)n(C)c1=O ZINC000299756980 292453349 /nfs/dbraw/zinc/45/33/49/292453349.db2.gz JIFLDYDAAGBNKL-UHFFFAOYSA-N -1 0 310.350 0.682 50 0 DCAARM CC(C)(C)c1onc(OC[P@@](=O)([O-])O)c1C[C@H]([NH3+])C(=O)[O-] ZINC000002047684 415124651 /nfs/dbraw/zinc/12/46/51/415124651.db2.gz AGSOOCUNMTYPSE-ZETCQYMHSA-N -1 0 322.254 0.441 50 0 aggregator,in-vivo DCAARM Cn1c2nc(Nc3ccccc3)n(CC(=O)[O-])c2c(=O)[nH]c1=O ZINC000006909068 415133129 /nfs/dbraw/zinc/13/31/29/415133129.db2.gz BPHVDBBTJLSWEL-UHFFFAOYSA-N -1 0 315.289 0.252 50 0 DCAARM O=C(CCn1[n-]c(=O)ccc1=O)NCCc1ccc(F)cc1 ZINC000007327599 415138457 /nfs/dbraw/zinc/13/84/57/415138457.db2.gz RYQWXZHUJMPYMJ-UHFFFAOYSA-N -1 0 305.309 0.425 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)NCC1(c2ccc(F)cc2)CC1 ZINC000048313981 415290585 /nfs/dbraw/zinc/29/05/85/415290585.db2.gz CHDXJCARJVMZJW-UHFFFAOYSA-N -1 0 317.320 0.936 50 0 DCAARM Cc1noc(C)c1S(=O)(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000072148600 415409931 /nfs/dbraw/zinc/40/99/31/415409931.db2.gz ZNJHFOHMIICPKZ-VIFPVBQESA-N -1 0 304.324 0.156 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000095348611 415547416 /nfs/dbraw/zinc/54/74/16/415547416.db2.gz KZPFILANPVMANR-UHFFFAOYSA-N -1 0 324.402 0.566 50 0 DCAARM Cc1nonc1CN1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095382424 415558561 /nfs/dbraw/zinc/55/85/61/415558561.db2.gz VXQCARRQJPEDDN-JTQLQIEISA-N -1 0 308.338 0.276 50 0 DCAARM COCC1(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)CCC1 ZINC000299776898 416067621 /nfs/dbraw/zinc/06/76/21/416067621.db2.gz HWKMIVZISITTCV-WDEREUQCSA-N -1 0 322.365 0.638 50 0 DCAARM CCc1nnc(N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)s1 ZINC000299781296 416067755 /nfs/dbraw/zinc/06/77/55/416067755.db2.gz OHKURZVZHOFWMF-JGVFFNPUSA-N -1 0 308.367 0.913 50 0 DCAARM COc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(OC)n1 ZINC000299789258 416068744 /nfs/dbraw/zinc/06/87/44/416068744.db2.gz YHSRFCLTCBIQRQ-SECBINFHSA-N -1 0 310.306 0.415 50 0 DCAARM Cc1ccc(CC(=O)N2C[C@@H](O)[C@@H](N(C)CC(=O)[O-])C2)s1 ZINC000241684892 416330282 /nfs/dbraw/zinc/33/02/82/416330282.db2.gz QGDKZWCDXAVQRS-NWDGAFQWSA-N -1 0 312.391 0.187 50 0 DCAARM CC(C)c1nc(CCNC(=O)Cc2cc(=O)[nH][n-]c2=O)cs1 ZINC000244595076 416330367 /nfs/dbraw/zinc/33/03/67/416330367.db2.gz DODXJOFXWXRTNQ-UHFFFAOYSA-N -1 0 322.390 0.545 50 0 DCAARM C[C@H]1Oc2c(cccc2C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])NC1=O ZINC000659169500 418067900 /nfs/dbraw/zinc/06/79/00/418067900.db2.gz CYZQSBVVXDCZHP-XXFPWJFMSA-N -1 0 320.301 0.378 50 0 DCAARM CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000492268364 272119972 /nfs/dbraw/zinc/11/99/72/272119972.db2.gz AFDBAUKFRBKSHJ-ZYOFXKKJSA-N -1 0 303.318 0.530 50 0 DCAARM CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000000052870 288055987 /nfs/dbraw/zinc/05/59/87/288055987.db2.gz DERCDELOZKOELA-NSHDSACASA-N -1 0 300.336 0.787 50 0 biogenic DCAARM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])S(C)(=O)=O ZINC000135178895 298090360 /nfs/dbraw/zinc/09/03/60/298090360.db2.gz KMFFTNXHWDHDAO-SKDRFNHKSA-N -1 0 311.359 0.630 50 0 DCAARM Cn1c(=O)c2sc3c(c2n(CC(=O)[O-])c1=O)COC(C)(C)C3 ZINC000006760781 302892783 /nfs/dbraw/zinc/89/27/83/302892783.db2.gz ZITBYTCNAYLTDY-UHFFFAOYSA-N -1 0 324.358 0.698 50 0 DCAARM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1CSC(C)(C)C(=O)N1 ZINC000534587185 334292430 /nfs/dbraw/zinc/29/24/30/334292430.db2.gz AHHVMAQNWFJCJV-VIFPVBQESA-N -1 0 302.396 0.566 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000534631048 334307672 /nfs/dbraw/zinc/30/76/72/334307672.db2.gz RNLCFWQCEBEPMB-GFCCVEGCSA-N -1 0 301.306 0.411 50 0 DCAARM Cc1cc(C)n2ncc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)c2n1 ZINC000320884722 534129950 /nfs/dbraw/zinc/12/99/50/534129950.db2.gz DCZFHMNMVSOEGY-LLVKDONJSA-N -1 0 318.333 0.662 50 0 DCAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2COc3ccccc3O2)n1 ZINC000299753517 534509491 /nfs/dbraw/zinc/50/94/91/534509491.db2.gz YJQKHLQWKCWKTJ-LLVKDONJSA-N -1 0 303.274 0.746 50 0 DCAARM CC(C)(C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262425184 545985630 /nfs/dbraw/zinc/98/56/30/545985630.db2.gz LNVWLEBEVCACRS-SECBINFHSA-N -1 0 303.380 0.523 50 0 DCAARM CCc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])C2)ncn1 ZINC000263545328 545986771 /nfs/dbraw/zinc/98/67/71/545986771.db2.gz GMOPLOZECFNYTI-ZYHUDNBSSA-N -1 0 306.366 0.845 50 0 DCAARM CC1(C)C(=O)NC(=O)N1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000736729996 600565279 /nfs/dbraw/zinc/56/52/79/600565279.db2.gz ZBCBUGGSWYOFJC-UHFFFAOYSA-N -1 0 311.338 0.221 50 0 DCAARM C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1nnc(CC(=O)[O-])[n-]1 ZINC000426575192 661623618 /nfs/dbraw/zinc/62/36/18/661623618.db2.gz ZGEDCWNPBYNHML-SECBINFHSA-N -1 0 309.370 0.483 50 0 DCAARM CC(=O)N1C[C@@H]2CN(C(=O)c3cnc(C)s3)C[C@]2(C(=O)[O-])C1 ZINC000091452566 685104116 /nfs/dbraw/zinc/10/41/16/685104116.db2.gz SMMNFHZKJZVRTI-QMTHXVAHSA-N -1 0 323.374 0.457 50 0 DCAARM Cc1cnc(CNCc2cnc(N(C)CC(=O)[O-])nc2)cn1 ZINC000828517573 759025588 /nfs/dbraw/zinc/02/55/88/759025588.db2.gz BFYHVSDGMDJOHL-UHFFFAOYSA-N -1 0 302.338 0.386 50 0 DCAARM CN1CCN(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C1=O ZINC000299790162 530071626 /nfs/dbraw/zinc/07/16/26/530071626.db2.gz ASOJSJDMTAFOFY-LBPRGKRZSA-N -1 0 305.334 0.686 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)c2ccc(Cn3ccnc3)o2)CC1 ZINC000071738456 191019030 /nfs/dbraw/zinc/01/90/30/191019030.db2.gz HVCKQLIPMRHRMB-UHFFFAOYSA-N -1 0 319.317 0.576 50 0 DCAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000206535 180725118 /nfs/dbraw/zinc/72/51/18/180725118.db2.gz JMVLYTLDKYADRF-MRVPVSSYSA-N -1 0 300.336 0.773 50 0 DCAARM O=C([O-])CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000002555069 180934609 /nfs/dbraw/zinc/93/46/09/180934609.db2.gz OJJIMQSJQYRZLT-GFCCVEGCSA-N -1 0 306.318 0.988 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000005053634 181197966 /nfs/dbraw/zinc/19/79/66/181197966.db2.gz XKHMORBPEMNJAJ-SCZZXKLOSA-N -1 0 320.236 0.210 50 0 DCAARM Cn1c(=O)oc2cc(S(=O)(=O)NCCCC(=O)[O-])ccc21 ZINC000005234526 181219022 /nfs/dbraw/zinc/21/90/22/181219022.db2.gz KZMZHONKRJXVGL-UHFFFAOYSA-N -1 0 314.319 0.275 50 0 DCAARM Cc1ccccc1NC(=O)/C=c1\[nH]c(=O)/c(=C\C(=O)[O-])s1 ZINC000005242795 181220480 /nfs/dbraw/zinc/22/04/80/181220480.db2.gz NPUSNNQZOKYPQD-QXZILWSFSA-N -1 0 304.327 0.029 50 0 DCAARM COc1ccc(-c2c(C(=O)[O-])nnn2-c2nonc2N)cc1 ZINC000005452231 181244568 /nfs/dbraw/zinc/24/45/68/181244568.db2.gz USYDBTLXJYFYIF-UHFFFAOYSA-N -1 0 302.250 0.606 50 0 DCAARM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000237412619 202257763 /nfs/dbraw/zinc/25/77/63/202257763.db2.gz QMJLBAXVZNDAOS-ZYHUDNBSSA-N -1 0 315.333 0.834 50 0 DCAARM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000237413446 202259384 /nfs/dbraw/zinc/25/93/84/202259384.db2.gz QMJLBAXVZNDAOS-PWSUYJOCSA-N -1 0 315.333 0.834 50 0 DCAARM Cn1c2[nH]c(CNc3ccccc3C(=O)[O-])nc2c(=O)[nH]c1=O ZINC000089741532 192855386 /nfs/dbraw/zinc/85/53/86/192855386.db2.gz GKBJAFCEQYXHJU-UHFFFAOYSA-N -1 0 315.289 0.260 50 0 DCAARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC(=O)N2C)c1 ZINC000241277684 202462166 /nfs/dbraw/zinc/46/21/66/202462166.db2.gz LIFXXFDSVVYMPL-LLVKDONJSA-N -1 0 310.375 0.729 50 0 DCAARM NC(=O)NCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000271891903 209300727 /nfs/dbraw/zinc/30/07/27/209300727.db2.gz LJGRVZJGBSQIHQ-AWEZNQCLSA-N -1 0 323.374 0.545 50 0 DCAARM O=C([O-])CCN(C(=O)CCn1ccccc1=O)C1CCOCC1 ZINC000408513253 239270904 /nfs/dbraw/zinc/27/09/04/239270904.db2.gz GPPCKBJGKCFMHF-UHFFFAOYSA-N -1 0 322.361 0.721 50 0 DCAARM O=C([O-])c1n[nH]cc1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000091737096 193099182 /nfs/dbraw/zinc/09/91/82/193099182.db2.gz QGSRYXIDJSQDHT-GHMZBOCLSA-N -1 0 316.317 0.803 50 0 DCAARM O=C([O-])CN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCCO1)CC2 ZINC000092065150 193150629 /nfs/dbraw/zinc/15/06/29/193150629.db2.gz ZBEKDLPEJBLHPB-LBPRGKRZSA-N -1 0 324.377 0.481 50 0 DCAARM O=C([O-])c1nc[nH]c1C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000215647431 201466253 /nfs/dbraw/zinc/46/62/53/201466253.db2.gz LHJNUIVPZLTMSY-UHFFFAOYSA-N -1 0 316.317 0.776 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000262747781 304136209 /nfs/dbraw/zinc/13/62/09/304136209.db2.gz IEAXXKRXABZSKF-NSHDSACASA-N -1 0 302.290 0.193 50 0 DCAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 ZINC000003882725 304160333 /nfs/dbraw/zinc/16/03/33/304160333.db2.gz SLPZEBLBIJOIBQ-YGSHXTJESA-N -1 0 315.281 0.786 50 0 DCAARM CCc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000018058162 182091355 /nfs/dbraw/zinc/09/13/55/182091355.db2.gz BYXNYHPMEAWBOU-WDEREUQCSA-N -1 0 301.302 0.239 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc2ccccn2c1=O ZINC000238055996 304179277 /nfs/dbraw/zinc/17/92/77/304179277.db2.gz RJKVHDWREWKSKG-LLVKDONJSA-N -1 0 301.302 0.774 50 0 DCAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(-n3cncn3)cc2)n1 ZINC000020616239 182239184 /nfs/dbraw/zinc/23/91/84/182239184.db2.gz YAVJVYZAHFSGNR-UHFFFAOYSA-N -1 0 312.289 0.951 50 0 DCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCn1cncn1 ZINC000024030254 182372747 /nfs/dbraw/zinc/37/27/47/182372747.db2.gz DOMQYDCMULGBFQ-UHFFFAOYSA-N -1 0 318.362 0.625 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000268973222 304200401 /nfs/dbraw/zinc/20/04/01/304200401.db2.gz ICHNOVADZVJMKL-SNVBAGLBSA-N -1 0 322.342 0.656 50 0 DCAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCn1cncn1 ZINC000238028599 304206358 /nfs/dbraw/zinc/20/63/58/304206358.db2.gz FIVNBIQVEUSGSP-CYBMUJFWSA-N -1 0 300.318 0.706 50 0 DCAARM CC(C)c1noc(C2CCN(C(=O)Cc3n[nH]c(=O)[n-]3)CC2)n1 ZINC000426441927 257250453 /nfs/dbraw/zinc/25/04/53/257250453.db2.gz QWTRXMZXUDXKKT-UHFFFAOYSA-N -1 0 320.353 0.965 50 0 DCAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc3nnnn32)C1 ZINC000426465221 257250464 /nfs/dbraw/zinc/25/04/64/257250464.db2.gz OXBZMZNBVRHGGI-AWEZNQCLSA-N -1 0 303.322 0.841 50 0 DCAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000299749911 533280810 /nfs/dbraw/zinc/28/08/10/533280810.db2.gz LZZAASBPYJJHRU-FZMZJTMJSA-N -1 0 321.329 0.558 50 0 DCAARM COC(=O)c1cnc(=NN2C(=O)CCC2=O)[n-]c1C(F)(F)F ZINC000000082380 292030890 /nfs/dbraw/zinc/03/08/90/292030890.db2.gz CENIBPDGJMQMMY-UHFFFAOYSA-N -1 0 318.211 0.758 50 0 DCAARM Cn1nc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)ccc1=O ZINC000013224531 395688422 /nfs/dbraw/zinc/68/84/22/395688422.db2.gz VZHFFRRWRZRFNU-GFCCVEGCSA-N -1 0 301.302 0.726 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1C(=O)[O-] ZINC000013269892 395688508 /nfs/dbraw/zinc/68/85/08/395688508.db2.gz CYWVRLFETFDZDJ-LLVKDONJSA-N -1 0 312.347 0.332 50 0 DCAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCO)cc2s1 ZINC000013690607 395688859 /nfs/dbraw/zinc/68/88/59/395688859.db2.gz OQIIVWYJJSGJIN-UHFFFAOYSA-N -1 0 315.376 0.390 50 0 DCAARM C[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002350989 395681484 /nfs/dbraw/zinc/68/14/84/395681484.db2.gz LXKDVNSQOHCDTC-VIFPVBQESA-N -1 0 304.306 0.161 50 0 DCAARM COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000002455246 395681501 /nfs/dbraw/zinc/68/15/01/395681501.db2.gz FUBAFUGQTVAQJR-UHFFFAOYSA-N -1 0 317.363 0.668 50 0 DCAARM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000002530788 395681602 /nfs/dbraw/zinc/68/16/02/395681602.db2.gz PEKPTLWQVLOJAJ-QMMMGPOBSA-N -1 0 306.384 0.834 50 0 DCAARM COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000002655717 395681749 /nfs/dbraw/zinc/68/17/49/395681749.db2.gz SWDHUAAHZSDXPZ-UHFFFAOYSA-N -1 0 317.363 0.668 50 0 DCAARM COc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1OC ZINC000002999406 395682216 /nfs/dbraw/zinc/68/22/16/395682216.db2.gz VSEJQOGLWBJRTG-UHFFFAOYSA-N -1 0 306.318 0.913 50 0 DCAARM COCCN1CCC[C@]2(CCN(C(=O)c3cc(=O)[n-]o3)C2)C1=O ZINC000091411934 395724986 /nfs/dbraw/zinc/72/49/86/395724986.db2.gz FZFMHIQKIJKUMK-OAHLLOKOSA-N -1 0 323.349 0.481 50 0 DCAARM Cc1cnc(NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)s1 ZINC000096298672 395752486 /nfs/dbraw/zinc/75/24/86/395752486.db2.gz CAUXSCNYQWDCHS-UHFFFAOYSA-N -1 0 304.335 0.672 50 0 DCAARM COC(=O)c1cc(S(=O)(=O)N(C)CCCC(=O)[O-])oc1C ZINC000270526668 395779720 /nfs/dbraw/zinc/77/97/20/395779720.db2.gz SUGIYHQZHVQMCJ-UHFFFAOYSA-N -1 0 319.335 0.860 50 0 DCAARM C[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)[O-] ZINC000049548315 395832570 /nfs/dbraw/zinc/83/25/70/395832570.db2.gz BBJLSTDUCMWHGP-QMMMGPOBSA-N -1 0 307.331 0.561 50 0 DCAARM O=Cc1ccc(C(=O)NCCOCCOCCC(=O)[O-])cc1 ZINC000214942876 395836869 /nfs/dbraw/zinc/83/68/69/395836869.db2.gz SMXKUAVAORJSAL-UHFFFAOYSA-N -1 0 309.318 0.737 50 0 DCAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000236601178 395894984 /nfs/dbraw/zinc/89/49/84/395894984.db2.gz UFUWIBQGWDKNRB-OCCSQVGLSA-N -1 0 302.330 0.897 50 0 DCAARM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC2)C1=O ZINC000253430160 396028623 /nfs/dbraw/zinc/02/86/23/396028623.db2.gz XJIWBNFYUBLLIF-STQMWFEESA-N -1 0 302.330 0.939 50 0 DCAARM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCCNC(=O)C1)C2 ZINC000067674073 396030877 /nfs/dbraw/zinc/03/08/77/396030877.db2.gz SRXNWLPNQURBDH-SNVBAGLBSA-N -1 0 306.366 0.280 50 0 DCAARM COc1cncc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262208264 396110687 /nfs/dbraw/zinc/11/06/87/396110687.db2.gz JGQLFRXHBMXYID-LLVKDONJSA-N -1 0 300.336 0.718 50 0 DCAARM COc1ccc(-c2nnc(CNC(=O)C3(C(=O)[O-])CC3)[nH]2)cc1 ZINC000262241821 396114463 /nfs/dbraw/zinc/11/44/63/396114463.db2.gz OSITZKUSVWEBLI-UHFFFAOYSA-N -1 0 316.317 0.961 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)CCn1cc(Cl)cn1 ZINC000072128233 396127422 /nfs/dbraw/zinc/12/74/22/396127422.db2.gz GIMPEGNVDCIVOR-JTQLQIEISA-N -1 0 301.730 0.629 50 0 DCAARM Cc1nnc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)o1 ZINC000069419841 396078136 /nfs/dbraw/zinc/07/81/36/396078136.db2.gz RMCCAQCIWDUDAM-UHFFFAOYSA-N -1 0 317.305 0.617 50 0 DCAARM CCN(CC)S(=O)(=O)CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262695028 396173774 /nfs/dbraw/zinc/17/37/74/396173774.db2.gz XCLBGQVWLGPPCJ-JTQLQIEISA-N -1 0 306.384 0.124 50 0 DCAARM CC(C)Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000262765253 396180141 /nfs/dbraw/zinc/18/01/41/396180141.db2.gz LPQWWMSBFWPRDO-LBPRGKRZSA-N -1 0 308.334 0.911 50 0 DCAARM COc1ncnc(OC)c1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263029813 396198620 /nfs/dbraw/zinc/19/86/20/396198620.db2.gz PIFPPFAYESGWOX-AWEZNQCLSA-N -1 0 309.322 0.821 50 0 DCAARM O=C([O-])c1ccc(CN2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000263111019 396202079 /nfs/dbraw/zinc/20/20/79/396202079.db2.gz BBJCWCHAGSGDKT-UHFFFAOYSA-N -1 0 317.389 0.781 50 0 DCAARM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nnn[n-]1 ZINC000183441289 396269884 /nfs/dbraw/zinc/26/98/84/396269884.db2.gz AVIZVCPGVVQAAS-GHMZBOCLSA-N -1 0 320.397 0.553 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000053720004 286184201 /nfs/dbraw/zinc/18/42/01/286184201.db2.gz QXARSILRTWKHNL-OAHLLOKOSA-N -1 0 303.318 0.448 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000262084226 158771170 /nfs/dbraw/zinc/77/11/70/158771170.db2.gz KPPWAGHVGPJGQJ-UHFFFAOYSA-N -1 0 316.317 0.319 50 0 DCAARM CCOc1ccncc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263021916 158853772 /nfs/dbraw/zinc/85/37/72/158853772.db2.gz ACSGPGMLUZEADS-NXEZZACHSA-N -1 0 314.363 0.822 50 0 DCAARM Cn1cnnc1SCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000007786614 415140701 /nfs/dbraw/zinc/14/07/01/415140701.db2.gz IGUHZGFALXMFMP-LLVKDONJSA-N -1 0 320.374 0.719 50 0 DCAARM C[C@H](NC(=O)CNC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000009043921 415143366 /nfs/dbraw/zinc/14/33/66/415143366.db2.gz QHHWHNPCQJUSLJ-QMMMGPOBSA-N -1 0 320.305 0.394 50 0 biogenic DCAARM Cc1ccccc1[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)N(C)C ZINC000095371054 415552758 /nfs/dbraw/zinc/55/27/58/415552758.db2.gz VUHFSFWCHNUMGS-ZDUSSCGKSA-N -1 0 303.366 0.368 50 0 DCAARM Cn1c([O-])c(C2=NN[C@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101763746 415596347 /nfs/dbraw/zinc/59/63/47/415596347.db2.gz OYWDGBONZIZBIX-VIFPVBQESA-N -1 0 304.281 0.357 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000331102100 416265924 /nfs/dbraw/zinc/26/59/24/416265924.db2.gz DKAYATVGYFNVET-MRVPVSSYSA-N -1 0 315.376 0.379 50 0 DCAARM O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc(=O)[n-]o1 ZINC000216100709 416327558 /nfs/dbraw/zinc/32/75/58/416327558.db2.gz MJSXGICRPSLMIY-JTQLQIEISA-N -1 0 303.322 0.404 50 0 DCAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)C(C)(C)C ZINC000643847418 417398998 /nfs/dbraw/zinc/39/89/98/417398998.db2.gz GPQLEPLTNQIIGY-CQSZACIVSA-N -1 0 300.355 0.241 50 0 DCAARM CC(=O)N1CCc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])ccc21 ZINC000268985272 278058416 /nfs/dbraw/zinc/05/84/16/278058416.db2.gz PMZPBYPXOZKZER-AWEZNQCLSA-N -1 0 318.329 0.521 50 0 DCAARM CN1N=C(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CCC1=O ZINC000261710813 290314082 /nfs/dbraw/zinc/31/40/82/290314082.db2.gz KYQZSGJTJCYJLX-AWEZNQCLSA-N -1 0 315.329 0.805 50 0 DCAARM CN1N=C(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CCC1=O ZINC000261710814 290314340 /nfs/dbraw/zinc/31/43/40/290314340.db2.gz KYQZSGJTJCYJLX-CQSZACIVSA-N -1 0 315.329 0.805 50 0 DCAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262830707 302752220 /nfs/dbraw/zinc/75/22/20/302752220.db2.gz SBLKVUCGTSXUMD-BXKDBHETSA-N -1 0 309.366 0.843 50 0 DCAARM Cn1nc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c2ccccc21 ZINC000244795790 303041884 /nfs/dbraw/zinc/04/18/84/303041884.db2.gz RNQZMRMJIBJKFV-SNVBAGLBSA-N -1 0 303.318 0.889 50 0 DCAARM O=C([O-])CCn1cc(CN2CCN(c3cnccn3)CC2)cn1 ZINC000534675278 334321698 /nfs/dbraw/zinc/32/16/98/334321698.db2.gz QARICSDDUFRWGG-UHFFFAOYSA-N -1 0 316.365 0.470 50 0 DCAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc(Cn4cnnn4)cc3)C[C@@H]21 ZINC000534663925 334323267 /nfs/dbraw/zinc/32/32/67/334323267.db2.gz AVYSTILTAXAMAL-ITGUQSILSA-N -1 0 313.317 0.124 50 0 DCAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCS1(=O)=O ZINC000577231216 341899204 /nfs/dbraw/zinc/89/92/04/341899204.db2.gz HDWHCJKMGNDFNH-WDEREUQCSA-N -1 0 319.379 0.046 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000331102101 526680303 /nfs/dbraw/zinc/68/03/03/526680303.db2.gz DKAYATVGYFNVET-QMMMGPOBSA-N -1 0 315.376 0.379 50 0 DCAARM CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](C(=O)[O-])C2)C1=O ZINC000299742745 529088325 /nfs/dbraw/zinc/08/83/25/529088325.db2.gz KCADXAILYAETPI-VIFPVBQESA-N -1 0 311.338 0.030 50 0 DCAARM C[C@@](O)(CNS(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000097895602 658078949 /nfs/dbraw/zinc/07/89/49/658078949.db2.gz GYPJHZJTQTXZAI-SNVBAGLBSA-N -1 0 311.718 0.593 50 0 DCAARM CC(C)(C)OC(=O)N[C@H](C[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC000950756045 662117315 /nfs/dbraw/zinc/11/73/15/662117315.db2.gz DXOKNUCSHKQCCV-RKDXNWHRSA-N -1 0 307.368 0.789 50 0 DCAARM CCN(CC(OC)OC)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000952994754 665872619 /nfs/dbraw/zinc/87/26/19/665872619.db2.gz UUNKPJWVTADXMZ-UHFFFAOYSA-N -1 0 314.304 0.911 50 0 DCAARM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)/N=c1\[n-]nc(C)n1C ZINC000096010868 685111374 /nfs/dbraw/zinc/11/13/74/685111374.db2.gz LEYZFABXMVIEKZ-DHHDDZJSSA-N -1 0 323.422 0.742 50 0 DCAARM Cc1cc(C)cc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)[O-])C2)c1 ZINC001704299434 1179964799 /nfs/dbraw/zinc/96/47/99/1179964799.db2.gz PQRBMZRXWQXAMY-STQMWFEESA-N -1 0 313.375 0.760 50 0 DCAARM CCN(C)c1cc(N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)ncn1 ZINC001704312159 1179970104 /nfs/dbraw/zinc/97/01/04/1179970104.db2.gz LZPFCMSKACBPGX-MRVPVSSYSA-N -1 0 305.342 0.851 50 0 DCAARM COc1cc2c(cc1CN1CCNC(=O)[C@H]1CC(=O)[O-])CCC2 ZINC001704353661 1179983502 /nfs/dbraw/zinc/98/35/02/1179983502.db2.gz QWULSJUSHPNUGC-CQSZACIVSA-N -1 0 318.373 0.959 50 0 DCAARM Cc1cc(=O)n2nc(Cc3nnc([C@H]4CCOC4)[nH]3)[n-]c2n1 ZINC000825138863 758798462 /nfs/dbraw/zinc/79/84/62/758798462.db2.gz CWAIEFTZLRZASF-QMMMGPOBSA-N -1 0 301.310 0.351 50 0 DCAARM CCc1noc([C@H](C)NCc2cnc(N(C)CC(=O)[O-])nc2)n1 ZINC001506406881 1017258857 /nfs/dbraw/zinc/25/88/57/1017258857.db2.gz RXDMMAHEYKBSAY-VIFPVBQESA-N -1 0 320.353 0.794 50 0 DCAARM CN(CC(=O)[O-])C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000095495934 185374000 /nfs/dbraw/zinc/37/40/00/185374000.db2.gz FCDUPOLHSWBTFL-AUTRQRHGSA-N -1 0 315.395 0.255 50 0 DCAARM C[C@@H]1CN(C(=O)[C@H](NC(=O)C(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000225608148 186282659 /nfs/dbraw/zinc/28/26/59/186282659.db2.gz XQHPCVVRIXJSNU-NQBHXWOUSA-N -1 0 320.345 0.564 50 0 DCAARM CCCS(=O)(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072432136 191163814 /nfs/dbraw/zinc/16/38/14/191163814.db2.gz DHQJYIZRMUPWLG-UHFFFAOYSA-N -1 0 301.368 0.456 50 0 DCAARM Cc1nc[nH]c1C(=O)N1CCC(C(=O)[O-])(n2ccnc2C)CC1 ZINC000072448515 191170403 /nfs/dbraw/zinc/17/04/03/191170403.db2.gz QQORFCYNZULMHJ-UHFFFAOYSA-N -1 0 317.349 0.939 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000004311104 181095895 /nfs/dbraw/zinc/09/58/95/181095895.db2.gz MDDAPCSZKDCYDM-VXGBXAGGSA-N -1 0 315.329 0.684 50 0 DCAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC1CC1 ZINC000005575159 181258975 /nfs/dbraw/zinc/25/89/75/181258975.db2.gz MRCUQXPJUVXDAT-UHFFFAOYSA-N -1 0 312.347 0.494 50 0 DCAARM Cn1c2ccccc2n(CCC(=O)N2CCC[C@H]2C(=O)[O-])c1=O ZINC000178276163 237223084 /nfs/dbraw/zinc/22/30/84/237223084.db2.gz LJKBOEPRTBNJBH-ZDUSSCGKSA-N -1 0 317.345 0.806 50 0 DCAARM Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)[O-])C2=O)cc1 ZINC000262453258 238174404 /nfs/dbraw/zinc/17/44/04/238174404.db2.gz WUCMYCXUTIUOCB-UPJWGTAASA-N -1 0 302.330 0.937 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)CCOC[C@H]2CCCO2)CCO1 ZINC000262872958 238183251 /nfs/dbraw/zinc/18/32/51/238183251.db2.gz XXDIUGGRRGCIFW-NEPJUHHUSA-N -1 0 301.339 0.274 50 0 DCAARM CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000268945581 238254358 /nfs/dbraw/zinc/25/43/58/238254358.db2.gz MISBWBUTIFWRCG-ZETCQYMHSA-N -1 0 318.376 0.210 50 0 DCAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000268943635 238254705 /nfs/dbraw/zinc/25/47/05/238254705.db2.gz MWFGUQYOBARXOR-MXWKQRLJSA-N -1 0 321.333 0.193 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000091645779 193084702 /nfs/dbraw/zinc/08/47/02/193084702.db2.gz SATJQEIRILKVOU-HNNXBMFYSA-N -1 0 323.349 0.181 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)c1ccncc1)CC2 ZINC000091650225 193084959 /nfs/dbraw/zinc/08/49/59/193084959.db2.gz CIBNROHZTNJUFZ-NSHDSACASA-N -1 0 303.318 0.277 50 0 DCAARM Cc1nc(C)c(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[nH]1 ZINC000091745410 193100026 /nfs/dbraw/zinc/10/00/26/193100026.db2.gz XFEUJPRYJXTPPB-QWHCGFSZSA-N -1 0 319.361 0.498 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000268963867 304135661 /nfs/dbraw/zinc/13/56/61/304135661.db2.gz BPNLZDCXXBRDQM-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000221722841 304141121 /nfs/dbraw/zinc/14/11/21/304141121.db2.gz LAFXIKOZHMDLJA-USZNOCQGSA-N -1 0 315.391 0.665 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000096511669 193674363 /nfs/dbraw/zinc/67/43/63/193674363.db2.gz HVLKEBVGJKJFSE-SNVBAGLBSA-N -1 0 301.302 0.631 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3C)c(=O)c1-2 ZINC000100056125 193793388 /nfs/dbraw/zinc/79/33/88/193793388.db2.gz CKGDVBSADPGILL-MNOVXSKESA-N -1 0 301.302 0.375 50 0 DCAARM O=C([O-])c1ccc(CCNC(=O)CN2CSCC2=O)cc1 ZINC000036908744 182852564 /nfs/dbraw/zinc/85/25/64/182852564.db2.gz SADYHMFCVXNFLK-UHFFFAOYSA-N -1 0 308.359 0.576 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000088374316 304200033 /nfs/dbraw/zinc/20/00/33/304200033.db2.gz KBLISVJNDNDDAU-ZYHUDNBSSA-N -1 0 311.721 0.956 50 0 DCAARM Cc1cc2ccccc2n1CC(=O)NCC(=O)NCC(=O)[O-] ZINC000040313304 183054242 /nfs/dbraw/zinc/05/42/42/183054242.db2.gz MQDFFZALVJARQO-UHFFFAOYSA-N -1 0 303.318 0.267 50 0 biogenic DCAARM CSc1nc(C)c(CCC(=O)[N-]S(C)(=O)=O)c(C)n1 ZINC000042279712 183249613 /nfs/dbraw/zinc/24/96/13/183249613.db2.gz DBJCTKIHANVVPC-UHFFFAOYSA-N -1 0 303.409 0.824 50 0 DCAARM Cc1cc([C@@H](C(=O)[O-])N2CCS(=O)(=O)CC2)ccc1F ZINC000055403599 183985154 /nfs/dbraw/zinc/98/51/54/183985154.db2.gz DYGLDBHKKNFCBE-LBPRGKRZSA-N -1 0 301.339 0.990 50 0 DCAARM CNC(=O)CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063778751 184288751 /nfs/dbraw/zinc/28/87/51/184288751.db2.gz JGSSMKUYIYXIKX-UHFFFAOYSA-N -1 0 306.347 0.864 50 0 DCAARM CCOc1ccccc1NC(=O)CC(=O)N[C@H](C)c1nnn[n-]1 ZINC000065383191 184332469 /nfs/dbraw/zinc/33/24/69/184332469.db2.gz AOLKUJNITJECTN-SECBINFHSA-N -1 0 318.337 0.804 50 0 DCAARM O=C([O-])[C@H]1CC(=O)N(CCc2nc(-c3cccnc3)no2)C1 ZINC000065432183 184343987 /nfs/dbraw/zinc/34/39/87/184343987.db2.gz UBLQDGFZWUZIGT-JTQLQIEISA-N -1 0 302.290 0.607 50 0 DCAARM O=C([O-])c1ccc(C(=O)N2CCOC3(CCOCC3)C2)cn1 ZINC000262634864 304234376 /nfs/dbraw/zinc/23/43/76/304234376.db2.gz MFVYBRXHDHTYTE-UHFFFAOYSA-N -1 0 306.318 0.801 50 0 DCAARM CN(C)S(=O)(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000359128606 257236459 /nfs/dbraw/zinc/23/64/59/257236459.db2.gz GOBWZEIFSQAURC-UHFFFAOYSA-N -1 0 310.335 0.789 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000426405125 257250860 /nfs/dbraw/zinc/25/08/60/257250860.db2.gz KNJDCSAZSYUJMU-NSHDSACASA-N -1 0 317.301 0.493 50 0 DCAARM COCCC1(C(=O)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000121975384 195384250 /nfs/dbraw/zinc/38/42/50/195384250.db2.gz ZRFSXZCHGGTKPT-UHFFFAOYSA-N -1 0 302.352 0.913 50 0 DCAARM COc1ccc([C@@H](CC(=O)[O-])NS(C)(=O)=O)cc1OC ZINC000008274340 395684262 /nfs/dbraw/zinc/68/42/62/395684262.db2.gz OVFYLNCURBIYDG-SECBINFHSA-N -1 0 303.336 0.769 50 0 DCAARM C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)NCC(=O)[O-] ZINC000011867343 395686926 /nfs/dbraw/zinc/68/69/26/395686926.db2.gz VGVQPTARJMMAPZ-ZETCQYMHSA-N -1 0 307.331 0.605 50 0 DCAARM C[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000013196598 395688473 /nfs/dbraw/zinc/68/84/73/395688473.db2.gz XYIFMABRTZDEHM-DTORHVGOSA-N -1 0 315.347 0.888 50 0 DCAARM O=C([O-])CCc1nn2c3ccccc3nc2n(CCO)c1=O ZINC000005286585 395682623 /nfs/dbraw/zinc/68/26/23/395682623.db2.gz DMOZRHQVLPKEKL-UHFFFAOYSA-N -1 0 302.290 0.054 50 0 DCAARM Cn1c2c(cc(C(=O)[O-])n2Cc2ccccc2)c(=O)n(C)c1=O ZINC000036294427 395722870 /nfs/dbraw/zinc/72/28/70/395722870.db2.gz SVWLLUUJATVFFE-UHFFFAOYSA-N -1 0 313.313 0.785 50 0 DCAARM CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000037437277 395726998 /nfs/dbraw/zinc/72/69/98/395726998.db2.gz ZDYBCXAVYYOIHX-WDEREUQCSA-N -1 0 318.395 0.124 50 0 DCAARM C[C@H](O)CNc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096149928 395746018 /nfs/dbraw/zinc/74/60/18/395746018.db2.gz FGCWMWXGPCASKJ-JTQLQIEISA-N -1 0 324.381 0.468 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)cc3C)c(=O)c1-2 ZINC000100056117 395762476 /nfs/dbraw/zinc/76/24/76/395762476.db2.gz CGPGAUDCVLLLEW-QWRGUYRKSA-N -1 0 301.302 0.294 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCCn1cccn1 ZINC000223422582 395855310 /nfs/dbraw/zinc/85/53/10/395855310.db2.gz WJDFLUCTFPKCJF-VXGBXAGGSA-N -1 0 311.338 0.038 50 0 DCAARM O=C(CCC(=O)NC1CCCCCC1)NCCc1n[nH]c(=O)[n-]1 ZINC000055413106 395918722 /nfs/dbraw/zinc/91/87/22/395918722.db2.gz XFAHGVONPZEOPJ-UHFFFAOYSA-N -1 0 323.397 0.376 50 0 DCAARM Cc1nn(CC(=O)[O-])c(C)c1NS(=O)(=O)N1CCCC1 ZINC000055413973 395918845 /nfs/dbraw/zinc/91/88/45/395918845.db2.gz VONKWKBXGRPZQN-UHFFFAOYSA-N -1 0 302.356 0.337 50 0 DCAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000136489514 395947404 /nfs/dbraw/zinc/94/74/04/395947404.db2.gz FQTMHQIDGFKRCF-CYBMUJFWSA-N -1 0 315.329 0.862 50 0 DCAARM Cc1nc2cc[n-]n2c(=O)c1CCC(=O)N[C@H](CO)C(C)C ZINC000252491840 396021043 /nfs/dbraw/zinc/02/10/43/396021043.db2.gz LWLCUDQPYYSMRE-GFCCVEGCSA-N -1 0 306.366 0.809 50 0 DCAARM O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000169785272 396092659 /nfs/dbraw/zinc/09/26/59/396092659.db2.gz KWXVEEJMODNQFY-SECBINFHSA-N -1 0 311.342 0.907 50 0 DCAARM CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000170091469 396094465 /nfs/dbraw/zinc/09/44/65/396094465.db2.gz IFVPQKMEVUAUCM-CQSZACIVSA-N -1 0 316.361 0.480 50 0 DCAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000071286326 396111574 /nfs/dbraw/zinc/11/15/74/396111574.db2.gz FXVRDISCJQZWOV-ZJUUUORDSA-N -1 0 312.347 0.629 50 0 DCAARM CC1(C)[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1C(=O)[O-] ZINC000071286320 396111629 /nfs/dbraw/zinc/11/16/29/396111629.db2.gz FXVRDISCJQZWOV-VHSXEESVSA-N -1 0 312.347 0.629 50 0 DCAARM O=C([O-])CN1N=C(c2nc(-c3ccncc3)no2)CCC1=O ZINC000072265067 396128062 /nfs/dbraw/zinc/12/80/62/396128062.db2.gz KOBRTJWXNMMQBP-UHFFFAOYSA-N -1 0 301.262 0.543 50 0 DCAARM CCc1ccc(CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)s1 ZINC000069593606 396083819 /nfs/dbraw/zinc/08/38/19/396083819.db2.gz ZQAJQGPFBPOABK-UHFFFAOYSA-N -1 0 308.363 0.331 50 0 DCAARM Cc1cccc(C(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000262550569 396154007 /nfs/dbraw/zinc/15/40/07/396154007.db2.gz UUHMAYVGHRRFBD-UHFFFAOYSA-N -1 0 319.361 0.785 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 ZINC000262906619 396191226 /nfs/dbraw/zinc/19/12/26/396191226.db2.gz CATZCXAFGUZPLN-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM CCCc1noc(CCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000262971026 396195300 /nfs/dbraw/zinc/19/53/00/396195300.db2.gz LQTLSQJBJHAXNM-SNVBAGLBSA-N -1 0 311.338 0.657 50 0 DCAARM Cc1nnc(CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)s1 ZINC000584892091 396634215 /nfs/dbraw/zinc/63/42/15/396634215.db2.gz WOYQVWHAELBTJR-JTQLQIEISA-N -1 0 324.406 0.744 50 0 DCAARM CCC[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000585134003 396640830 /nfs/dbraw/zinc/64/08/30/396640830.db2.gz AKGWHTDTKQYVRN-JTQLQIEISA-N -1 0 314.363 0.565 50 0 DCAARM O=C([N-]Cc1cn(-c2ccccc2CO)nn1)C(F)(F)F ZINC000585141890 396642255 /nfs/dbraw/zinc/64/22/55/396642255.db2.gz HKKOLVTVVHWIFW-UHFFFAOYSA-N -1 0 300.240 0.938 50 0 DCAARM C[C@@H](C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000621614458 397404453 /nfs/dbraw/zinc/40/44/53/397404453.db2.gz IBLAZAFHPFLHTM-KWBADKCTSA-N -1 0 303.380 0.523 50 0 DCAARM Cc1nc(/C=C\C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cs1 ZINC000606442781 397680855 /nfs/dbraw/zinc/68/08/55/397680855.db2.gz SUWHCZCZNPOZMO-MXQLGCADSA-N -1 0 316.404 0.947 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccncc2Br)CCO1 ZINC000190976022 158564839 /nfs/dbraw/zinc/56/48/39/158564839.db2.gz RUHVIMUXFRDAGM-SECBINFHSA-N -1 0 315.123 0.770 50 0 DCAARM O=C([O-])C1(O)CCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000262559672 158825103 /nfs/dbraw/zinc/82/51/03/158825103.db2.gz ZFTNISOUTACOBJ-UHFFFAOYSA-N -1 0 305.330 0.602 50 0 DCAARM NC(=O)c1cccc(OCCC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269205486 415248840 /nfs/dbraw/zinc/24/88/40/415248840.db2.gz UABFXQMKVXFNOS-NSHDSACASA-N -1 0 306.318 0.488 50 0 DCAARM Cc1c(C(=O)[O-])sc2ncnc(N3CC[NH2+][C@H](C(=O)[O-])C3)c12 ZINC000071419042 415410130 /nfs/dbraw/zinc/41/01/30/415410130.db2.gz ZMENPCPAFOQAST-ZETCQYMHSA-N -1 0 322.346 0.561 50 0 DCAARM O=c1[n-]c(CN2c3cccc4cccc(c34)S2(=O)=O)n[nH]1 ZINC000097114184 415586854 /nfs/dbraw/zinc/58/68/54/415586854.db2.gz MFOGXWSYMRTIPD-UHFFFAOYSA-N -1 0 302.315 0.960 50 0 DCAARM Cc1cc(C)nc(S[C@H](C)C(=O)NCCc2nnn[n-]2)n1 ZINC000299768976 416066108 /nfs/dbraw/zinc/06/61/08/416066108.db2.gz KQFSRLWEGWKBPR-SECBINFHSA-N -1 0 307.383 0.446 50 0 DCAARM Cc1[nH]ccc1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299784742 416066900 /nfs/dbraw/zinc/06/69/00/416066900.db2.gz MSYWFGMEBQLKCP-GXSJLCMTSA-N -1 0 303.322 0.772 50 0 DCAARM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000262798398 416337272 /nfs/dbraw/zinc/33/72/72/416337272.db2.gz PATILFRRHXYACH-NXEZZACHSA-N -1 0 306.384 0.170 50 0 DCAARM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000263239738 416337452 /nfs/dbraw/zinc/33/74/52/416337452.db2.gz FTTLFKCPCMNGIE-JTQLQIEISA-N -1 0 320.411 0.274 50 0 DCAARM O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cc(=O)[n-]o1 ZINC000215483619 416327047 /nfs/dbraw/zinc/32/70/47/416327047.db2.gz GYNDQQIHEYVWQQ-LBPRGKRZSA-N -1 0 318.333 0.166 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC000238095960 416329732 /nfs/dbraw/zinc/32/97/32/416329732.db2.gz NPLHMMIMNQQLLD-LBPRGKRZSA-N -1 0 300.318 0.873 50 0 DCAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)C(C)(C)C ZINC000643847416 417398892 /nfs/dbraw/zinc/39/88/92/417398892.db2.gz GPQLEPLTNQIIGY-AWEZNQCLSA-N -1 0 300.355 0.241 50 0 DCAARM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647784595 418055462 /nfs/dbraw/zinc/05/54/62/418055462.db2.gz ZHRLTWALYIKSHQ-SECBINFHSA-N -1 0 309.326 0.092 50 0 DCAARM COCCOc1ccccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299751893 229395511 /nfs/dbraw/zinc/39/55/11/229395511.db2.gz SGAPOPVPBVKLGY-CYBMUJFWSA-N -1 0 309.318 0.637 50 0 DCAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])C2 ZINC000299752263 295268432 /nfs/dbraw/zinc/26/84/32/295268432.db2.gz TURRNDWDGLMIDQ-AAEUAGOBSA-N -1 0 321.329 0.558 50 0 DCAARM C[C@H](C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1)n1cccn1 ZINC000262499390 297978455 /nfs/dbraw/zinc/97/84/55/297978455.db2.gz HVEIFIFJXTUDTN-LLVKDONJSA-N -1 0 322.365 0.226 50 0 DCAARM C[C@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000013196600 300287777 /nfs/dbraw/zinc/28/77/77/300287777.db2.gz XYIFMABRTZDEHM-IUCAKERBSA-N -1 0 315.347 0.888 50 0 DCAARM Cc1nc2ncccc2cc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] ZINC000065531211 302684818 /nfs/dbraw/zinc/68/48/18/302684818.db2.gz FLDYSMYMTASSJC-WCQYABFASA-N -1 0 315.329 0.988 50 0 DCAARM Cc1nccc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095362210 302709026 /nfs/dbraw/zinc/70/90/26/302709026.db2.gz JXXPLRVZZWGWQA-LLVKDONJSA-N -1 0 304.350 0.687 50 0 DCAARM NC(=O)COc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000299749944 303253228 /nfs/dbraw/zinc/25/32/28/303253228.db2.gz MEWUXTCAICINAH-GFCCVEGCSA-N -1 0 306.318 0.630 50 0 DCAARM Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCC(=O)[O-] ZINC000021155140 303494197 /nfs/dbraw/zinc/49/41/97/303494197.db2.gz GHMXBTIEEKGTIX-UHFFFAOYSA-N -1 0 313.379 0.940 50 0 DCAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)NCc1ccco1 ZINC000071405397 337366880 /nfs/dbraw/zinc/36/68/80/337366880.db2.gz JICAJPWBRNARAN-MRVPVSSYSA-N -1 0 310.335 0.651 50 0 DCAARM Cc1cc(C)n2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2n1 ZINC000299741442 534126938 /nfs/dbraw/zinc/12/69/38/534126938.db2.gz GCOSVIOUTQRPBH-LLVKDONJSA-N -1 0 304.306 0.272 50 0 DCAARM NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000262194639 534402771 /nfs/dbraw/zinc/40/27/71/534402771.db2.gz ZDKLOJWPMLHUDO-DTWKUNHWSA-N -1 0 311.363 0.923 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)CCO1 ZINC000299753936 534503598 /nfs/dbraw/zinc/50/35/98/534503598.db2.gz ZWFUXCIANCAQLV-GFCCVEGCSA-N -1 0 321.329 0.702 50 0 DCAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2COCCO2)c1OC ZINC000262480144 522166238 /nfs/dbraw/zinc/16/62/38/522166238.db2.gz KMBWFKMNERTUOU-LLVKDONJSA-N -1 0 311.290 0.756 50 0 DCAARM CC1(C)NC(=O)N(CCCC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC000262147043 527785209 /nfs/dbraw/zinc/78/52/09/527785209.db2.gz QQAWUFOBMLMKOQ-SECBINFHSA-N -1 0 311.338 0.173 50 0 DCAARM CC1(C)NC(=O)N(CCCC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000261734041 527785546 /nfs/dbraw/zinc/78/55/46/527785546.db2.gz GAIXDTDOFVZPPZ-SECBINFHSA-N -1 0 311.338 0.030 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)CCO1 ZINC000262042849 545977831 /nfs/dbraw/zinc/97/78/31/545977831.db2.gz DDQGFHOESMWBAT-LBPRGKRZSA-N -1 0 302.290 0.193 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccccc2OC)C1 ZINC000685940376 548745895 /nfs/dbraw/zinc/74/58/95/548745895.db2.gz HYYMYLDDUBBYLK-JQWIXIFHSA-N -1 0 320.345 0.747 50 0 DCAARM Cc1nn(C)c2nc(-c3cccnc3)nc(NCc3nnn[n-]3)c12 ZINC000072435661 658747900 /nfs/dbraw/zinc/74/79/00/658747900.db2.gz PFGJZCYLOLZVLE-UHFFFAOYSA-N -1 0 322.336 0.859 50 0 DCAARM Cc1nnc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])[nH]1 ZINC000863981660 667205176 /nfs/dbraw/zinc/20/51/76/667205176.db2.gz FIDSPBAJNHITTB-AWEZNQCLSA-N -1 0 300.318 0.866 50 0 DCAARM Cc1ccc2[nH]nc(C(=O)N3CCC(O)(C(=O)[O-])CC3)c2c1 ZINC000071752785 685074010 /nfs/dbraw/zinc/07/40/10/685074010.db2.gz LJYNFCFNILKOAL-UHFFFAOYSA-N -1 0 303.318 0.923 50 0 DCAARM COC(=O)c1c(OCCO)n[nH]c1NC(=O)[C@H](C)CSC ZINC000585130098 766292127 /nfs/dbraw/zinc/29/21/27/766292127.db2.gz HQGNSTCOBQVZJL-SSDOTTSWSA-N -1 0 317.367 0.505 50 0 DCAARM CC(C)C[N@@H+]1CCN(c2cnc(C(=O)[O-])cn2)C[C@H]1CCO ZINC001529179438 1014513243 /nfs/dbraw/zinc/51/32/43/1014513243.db2.gz AYRYSSDZPFCKAP-GFCCVEGCSA-N -1 0 308.382 0.704 50 0 DCAARM CC(C)C[N@@H+]1CCN(c2cnc(C(=O)[O-])cn2)C[C@@H]1CCO ZINC001529179440 1014513611 /nfs/dbraw/zinc/51/36/11/1014513611.db2.gz AYRYSSDZPFCKAP-LBPRGKRZSA-N -1 0 308.382 0.704 50 0 DCAARM Cc1cccc(N2CC[C@@H](CNC(=O)Cn3[n-]nnc3=N)C2)c1 ZINC001506405637 1017254955 /nfs/dbraw/zinc/25/49/55/1017254955.db2.gz CYHSAVQCTXZRNZ-LBPRGKRZSA-N -1 0 315.381 0.037 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299748815 530033288 /nfs/dbraw/zinc/03/32/88/530033288.db2.gz IHGCXBVHPRELIM-MNOVXSKESA-N -1 0 324.358 0.205 50 0 DCAARM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1C[C@@H]1C(=O)[O-])CC2 ZINC000262402719 530033614 /nfs/dbraw/zinc/03/36/14/530033614.db2.gz MQGXUOHAYLSRJP-QWRGUYRKSA-N -1 0 324.358 0.205 50 0 DCAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCCO ZINC000001834823 180898036 /nfs/dbraw/zinc/89/80/36/180898036.db2.gz JDMPWMZBXGXNCV-HWKANZROSA-N -1 0 301.320 0.064 50 0 DCAARM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000003426346 181018114 /nfs/dbraw/zinc/01/81/14/181018114.db2.gz AMMYKSFYQAISTF-RNCFNFMXSA-N -1 0 309.343 0.952 50 0 DCAARM COc1ccccc1CCNC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237152759 202168151 /nfs/dbraw/zinc/16/81/51/202168151.db2.gz KLJCGPCIUUYUQH-ZDUSSCGKSA-N -1 0 306.362 0.903 50 0 DCAARM Cc1ccc2ncc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)n2c1 ZINC000237906946 202386637 /nfs/dbraw/zinc/38/66/37/202386637.db2.gz OSSPODQCVIGVSG-NSHDSACASA-N -1 0 315.329 0.940 50 0 DCAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000005995628 181304026 /nfs/dbraw/zinc/30/40/26/181304026.db2.gz JDSKNNBTAUKETK-UHFFFAOYSA-N -1 0 311.319 0.708 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000268935147 238255002 /nfs/dbraw/zinc/25/50/02/238255002.db2.gz BRRIQGUTDIIAPX-AWEZNQCLSA-N -1 0 301.306 0.599 50 0 DCAARM CCOc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000566053235 291265547 /nfs/dbraw/zinc/26/55/47/291265547.db2.gz HTTPNEFIHILALC-GFCCVEGCSA-N -1 0 315.347 0.559 50 0 DCAARM Cn1ncnc1CS(=O)(=O)c1nnc(Cc2cccs2)[n-]1 ZINC000195162854 201350400 /nfs/dbraw/zinc/35/04/00/201350400.db2.gz JYDVNQMIIYIWHX-UHFFFAOYSA-N -1 0 324.391 0.559 50 0 DCAARM COc1cccc(N2CCN(C(=O)COCC(=O)[O-])CC2)c1 ZINC000006715627 181375975 /nfs/dbraw/zinc/37/59/75/181375975.db2.gz CIZHGLPOUYFISS-UHFFFAOYSA-N -1 0 308.334 0.445 50 0 DCAARM COc1ccc(-n2ccn3c(CCC(=O)[O-])nnc3c2=O)cc1 ZINC000006817596 181393968 /nfs/dbraw/zinc/39/39/68/181393968.db2.gz DMPFXDQCEUEYHT-UHFFFAOYSA-N -1 0 314.301 0.906 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCO)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091756387 193103487 /nfs/dbraw/zinc/10/34/87/193103487.db2.gz GDSOTAXDQXQHCX-WDEREUQCSA-N -1 0 307.302 0.424 50 0 DCAARM O=c1nc(NCCCN2CCOCC2)[n-]nc1-c1ccccc1 ZINC000016045962 182030612 /nfs/dbraw/zinc/03/06/12/182030612.db2.gz ZHMFESSEPHDNOP-UHFFFAOYSA-N -1 0 315.377 0.966 50 0 DCAARM O=C([O-])COCC(=O)Nc1ncn(Cc2ccc(F)cc2)n1 ZINC000017031666 182069335 /nfs/dbraw/zinc/06/93/35/182069335.db2.gz LFTIGLAXFPNVTG-UHFFFAOYSA-N -1 0 308.269 0.505 50 0 DCAARM O=C([O-])c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000019669747 182134839 /nfs/dbraw/zinc/13/48/39/182134839.db2.gz XVBZSMNBPKYVMI-VIFPVBQESA-N -1 0 311.315 0.708 50 0 DCAARM CN(Cc1c(Cl)cnn1C)C(=O)c1nn(C)cc1C(=O)[O-] ZINC000020616066 182239060 /nfs/dbraw/zinc/23/90/60/182239060.db2.gz FKEPQEZUNZKJCM-UHFFFAOYSA-N -1 0 311.729 0.777 50 0 DCAARM CCn1ncc(Cl)c1CNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC000020614807 182239458 /nfs/dbraw/zinc/23/94/58/182239458.db2.gz AJXWPTSZWROXRE-UHFFFAOYSA-N -1 0 311.729 0.768 50 0 DCAARM CC(C)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000035160004 182757246 /nfs/dbraw/zinc/75/72/46/182757246.db2.gz XCOURWSHHOXCRZ-SNVBAGLBSA-N -1 0 313.335 0.244 50 0 DCAARM Cn1cc(Br)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043700688 183382153 /nfs/dbraw/zinc/38/21/53/183382153.db2.gz OVNWEECAXRJXIR-VIFPVBQESA-N -1 0 317.139 0.713 50 0 DCAARM CCC[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)C(=O)[O-] ZINC000036837062 257240287 /nfs/dbraw/zinc/24/02/87/257240287.db2.gz VQQUVFXIDAQGBR-ZJUUUORDSA-N -1 0 306.384 0.170 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ccc2c(c1)OCCO2 ZINC000378702414 257241811 /nfs/dbraw/zinc/24/18/11/257241811.db2.gz KQCYQZQJKVPSPN-NSHDSACASA-N -1 0 317.301 0.607 50 0 DCAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000426590050 257245748 /nfs/dbraw/zinc/24/57/48/257245748.db2.gz WLIDBYHTUJRCQS-NTSWFWBYSA-N -1 0 306.244 0.941 50 0 DCAARM COc1c[nH]c(C(=O)N[C@@H](CCSC)C(=O)[O-])cc1=O ZINC000426501745 257248358 /nfs/dbraw/zinc/24/83/58/257248358.db2.gz IABUFFQMVRYSPB-ZETCQYMHSA-N -1 0 300.336 0.320 50 0 DCAARM COc1ccc(C(=O)NCC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000069662027 184834519 /nfs/dbraw/zinc/83/45/19/184834519.db2.gz MHYZADLTQIUVOY-CQSZACIVSA-N -1 0 308.334 0.999 50 0 DCAARM O=C(CSc1nncc(=O)[n-]1)N1CC(=O)Nc2ccccc21 ZINC000016524936 395690588 /nfs/dbraw/zinc/69/05/88/395690588.db2.gz YREJECMUBDKABC-UHFFFAOYSA-N -1 0 317.330 0.655 50 0 DCAARM CN1C(=O)[N-]C(=O)C(=CNC[C@]2(C)C[C@H](O)CC(C)(C)C2)C1=O ZINC000019535473 395691047 /nfs/dbraw/zinc/69/10/47/395691047.db2.gz HNZXOGMTIJYWCC-UZNBBHDYSA-N -1 0 323.393 0.745 50 0 DCAARM Nc1nnc2[nH]c(=O)c([C@@H](C(=O)[O-])c3ccc(Cl)cc3)nn12 ZINC000019799224 395691101 /nfs/dbraw/zinc/69/11/01/395691101.db2.gz SINZNOGERRJIFD-ZETCQYMHSA-N -1 0 320.696 0.677 50 0 DCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000000246289 395680072 /nfs/dbraw/zinc/68/00/72/395680072.db2.gz CIMGPVLMSMHBMD-UHFFFAOYSA-N -1 0 301.320 0.414 50 0 DCAARM Cc1ncc2c(c1O)[C@@H](c1c([O-])[nH]c(=S)n(C)c1=O)OC2 ZINC000000487690 395680436 /nfs/dbraw/zinc/68/04/36/395680436.db2.gz LOJBTEPBIJNKJX-JTQLQIEISA-N -1 0 307.331 0.803 50 0 biogenic DCAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc3nnnn32)cc1 ZINC000001275606 395680688 /nfs/dbraw/zinc/68/06/88/395680688.db2.gz JNUONROAWINIJU-UHFFFAOYSA-N -1 0 304.335 0.937 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 ZINC000002004342 395681270 /nfs/dbraw/zinc/68/12/70/395681270.db2.gz ZTUKZKYDJMGJDC-LBPRGKRZSA-N -1 0 306.318 0.988 50 0 in-vitro DCAARM Cc1ccc(OCC(=O)N2CCN(C(=O)CC(=O)[O-])CC2)cc1 ZINC000002456382 395681518 /nfs/dbraw/zinc/68/15/18/395681518.db2.gz UPHSEVGKYONMMV-UHFFFAOYSA-N -1 0 320.345 0.519 50 0 DCAARM CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000035247018 395719700 /nfs/dbraw/zinc/71/97/00/395719700.db2.gz DKJYYOMSHMQPTR-UHFFFAOYSA-N -1 0 300.336 0.141 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000100057522 395762637 /nfs/dbraw/zinc/76/26/37/395762637.db2.gz MHFNJSXACBOZDX-NWDGAFQWSA-N -1 0 315.329 0.684 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100050405 395762661 /nfs/dbraw/zinc/76/26/61/395762661.db2.gz MPOQDJNXYFLADA-DTWKUNHWSA-N -1 0 307.693 0.330 50 0 DCAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)NC1=O ZINC000101043568 395763970 /nfs/dbraw/zinc/76/39/70/395763970.db2.gz GPWZHTWALOVWAW-UHFFFAOYSA-N -1 0 312.329 0.940 50 0 DCAARM CCC(Nc1cccc(C(=O)OC)c1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101087768 395764213 /nfs/dbraw/zinc/76/42/13/395764213.db2.gz SCBZRNOTUUUQMI-UHFFFAOYSA-N -1 0 317.301 0.915 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC000219040855 395843491 /nfs/dbraw/zinc/84/34/91/395843491.db2.gz QKIZMFCHYYKUGM-OCCSQVGLSA-N -1 0 321.329 0.610 50 0 DCAARM Cc1nn2c([n-]1)ncc(C(=O)N[C@@H](C)c1cnn(C)c1C)c2=O ZINC000220026512 395847171 /nfs/dbraw/zinc/84/71/71/395847171.db2.gz NUCBYMKJMKMDOB-ZETCQYMHSA-N -1 0 315.337 0.259 50 0 DCAARM O=C([O-])CCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 ZINC000220631305 395849842 /nfs/dbraw/zinc/84/98/42/395849842.db2.gz FXVYZZJYQUVWHQ-ZIAGYGMSSA-N -1 0 323.345 0.696 50 0 DCAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000054053842 395893175 /nfs/dbraw/zinc/89/31/75/395893175.db2.gz MNXLTKMEYDBLLJ-ZETCQYMHSA-N -1 0 314.319 0.225 50 0 DCAARM CO[C@H](CNC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC000227264792 395868579 /nfs/dbraw/zinc/86/85/79/395868579.db2.gz WJQLRVYLNFIPIU-SECBINFHSA-N -1 0 301.682 0.898 50 0 DCAARM CCCn1[nH]ccc1=NC(=O)CN1CCn2c(C)c(C)nc2C1 ZINC000254751026 396032133 /nfs/dbraw/zinc/03/21/33/396032133.db2.gz XVLORWQIFJYBQC-UHFFFAOYSA-N -1 0 316.409 0.983 50 0 DCAARM Cc1noc(-c2ccc(N3CCN(C)[C@H](C(=O)[O-])C3)nc2)n1 ZINC000067850526 396036010 /nfs/dbraw/zinc/03/60/10/396036010.db2.gz QROGMEXVNDFZLS-NSHDSACASA-N -1 0 303.322 0.645 50 0 DCAARM C[C@H](C(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1)n1ccnc1 ZINC000067967353 396040542 /nfs/dbraw/zinc/04/05/42/396040542.db2.gz YYWLVKOFEMXBNS-SECBINFHSA-N -1 0 303.322 0.461 50 0 DCAARM COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1 ZINC000170089809 396094283 /nfs/dbraw/zinc/09/42/83/396094283.db2.gz JSNNHXILUIYFJQ-UHFFFAOYSA-N -1 0 311.319 0.546 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000262310402 396121893 /nfs/dbraw/zinc/12/18/93/396121893.db2.gz NQNIDGDJCAEDAA-ZETCQYMHSA-N -1 0 304.096 0.968 50 0 DCAARM CS(=O)(=O)N[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000262350746 396128968 /nfs/dbraw/zinc/12/89/68/396128968.db2.gz YWWQJGHIOZTZJB-LLVKDONJSA-N -1 0 312.347 0.149 50 0 DCAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(C)=O)cc1 ZINC000069525037 396081679 /nfs/dbraw/zinc/08/16/79/396081679.db2.gz YYBJSMWRLGBNMV-SECBINFHSA-N -1 0 314.363 0.415 50 0 DCAARM O=C([O-])C1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000262496457 396147888 /nfs/dbraw/zinc/14/78/88/396147888.db2.gz ZOBIYPYMOCMTIL-UHFFFAOYSA-N -1 0 323.321 0.634 50 0 DCAARM CC(=O)Nc1ccc(F)c(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000262840849 396186958 /nfs/dbraw/zinc/18/69/58/396186958.db2.gz ZQPQMZVYNJPQDT-LBPRGKRZSA-N -1 0 310.281 0.710 50 0 DCAARM Cc1cc(C)cc([C@H](NC(=O)c2ccc(=O)n(C)n2)C(=O)[O-])c1 ZINC000262875482 396189363 /nfs/dbraw/zinc/18/93/63/396189363.db2.gz BIARXEDKPDEPHR-AWEZNQCLSA-N -1 0 315.329 0.953 50 0 DCAARM CCn1ccnc1CNC(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000581006257 396518046 /nfs/dbraw/zinc/51/80/46/396518046.db2.gz YGIDXIKWVAUZDN-UHFFFAOYSA-N -1 0 323.378 0.136 50 0 DCAARM CO[C@H](CS(=O)(=O)N1CCC[C@]1(C)C(=O)[O-])[C@@H]1CCOC1 ZINC000630445887 397024112 /nfs/dbraw/zinc/02/41/12/397024112.db2.gz IEGMYTDHSOWNGP-NQBHXWOUSA-N -1 0 321.395 0.307 50 0 DCAARM Cc1nc(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])cs1 ZINC000044901679 415232637 /nfs/dbraw/zinc/23/26/37/415232637.db2.gz RIHMNQDPKIZXNN-SECBINFHSA-N -1 0 314.367 0.012 50 0 DCAARM Cc1nn(C)c2sc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc12 ZINC000049864796 415309714 /nfs/dbraw/zinc/30/97/14/415309714.db2.gz SRIKNDPNWPDMKB-VIFPVBQESA-N -1 0 309.347 0.869 50 0 DCAARM CCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(=O)[nH]c(=O)[nH]1 ZINC000067934587 415390404 /nfs/dbraw/zinc/39/04/04/415390404.db2.gz LQGOOGIUFSMPJX-UHFFFAOYSA-N -1 0 319.321 0.788 50 0 DCAARM CN(C)C(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCC2)CC1 ZINC000075572415 415446337 /nfs/dbraw/zinc/44/63/37/415446337.db2.gz WJUJQMNNLMXXOC-UHFFFAOYSA-N -1 0 311.382 0.894 50 0 DCAARM COCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091746061 415539508 /nfs/dbraw/zinc/53/95/08/415539508.db2.gz SITCBEGGIUCMIS-LSDHHAIUSA-N -1 0 320.389 0.891 50 0 DCAARM CN(C)[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)c1ccccc1F ZINC000095358632 415551989 /nfs/dbraw/zinc/55/19/89/415551989.db2.gz SNADJFGPUCZRTL-GFCCVEGCSA-N -1 0 307.329 0.199 50 0 DCAARM Cn1ccnc1CN1CCN([C@H](C(=O)[O-])c2ccoc2)CC1 ZINC000095353412 415555298 /nfs/dbraw/zinc/55/52/98/415555298.db2.gz NETGVGVYOVLVII-AWEZNQCLSA-N -1 0 304.350 0.957 50 0 DCAARM Cc1cc2nc(CN3CC[C@]4(CN(C)C(=O)O4)C3)cc(=O)n2[n-]1 ZINC000101797587 415595560 /nfs/dbraw/zinc/59/55/60/415595560.db2.gz HBRRFPPOWQAODZ-HNNXBMFYSA-N -1 0 317.349 0.358 50 0 DCAARM COc1cccc2c1CCc1c(C(=O)Nc3nnn[n-]3)n[nH]c1-2 ZINC000170625733 416027050 /nfs/dbraw/zinc/02/70/50/416027050.db2.gz QISMOUNDHHTTQU-UHFFFAOYSA-N -1 0 311.305 0.949 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc21 ZINC000263251141 416337313 /nfs/dbraw/zinc/33/73/13/416337313.db2.gz JLWWADCPNHMPDO-UHFFFAOYSA-N -1 0 303.318 0.803 50 0 DCAARM Cn1nccc1CCC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000215331866 416327212 /nfs/dbraw/zinc/32/72/12/416327212.db2.gz AWNPFCBCTLOKNX-UHFFFAOYSA-N -1 0 315.377 0.842 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000238102645 416329756 /nfs/dbraw/zinc/32/97/56/416329756.db2.gz RKZHWVJQVPZQOJ-VIFPVBQESA-N -1 0 306.347 0.935 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC000652051152 417840204 /nfs/dbraw/zinc/84/02/04/417840204.db2.gz VYPFKYSVUYMJPE-NSHDSACASA-N -1 0 307.354 0.656 50 0 DCAARM O=C([O-])[C@@H]1COCCN1S(=O)(=O)CCc1ccccc1F ZINC000656515112 418359598 /nfs/dbraw/zinc/35/95/98/418359598.db2.gz KSGKBFFHYYTOIT-LBPRGKRZSA-N -1 0 317.338 0.483 50 0 DCAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000299743640 229381656 /nfs/dbraw/zinc/38/16/56/229381656.db2.gz LXIGSXANEBMUDG-OAHLLOKOSA-N -1 0 316.317 0.115 50 0 DCAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000299743639 229382764 /nfs/dbraw/zinc/38/27/64/229382764.db2.gz LXIGSXANEBMUDG-HNNXBMFYSA-N -1 0 316.317 0.115 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000299745089 229383805 /nfs/dbraw/zinc/38/38/05/229383805.db2.gz WBRGZNGEBZGFOB-LBPRGKRZSA-N -1 0 304.302 0.497 50 0 DCAARM CNC(=O)C[C@@H](C)N(C)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000097579029 290437085 /nfs/dbraw/zinc/43/70/85/290437085.db2.gz ZLEKRJDVLQBIAA-SECBINFHSA-N -1 0 308.334 0.990 50 0 DCAARM CS(=O)(=O)N1CCC(Nc2ncncc2C(=O)[O-])CC1 ZINC000095377740 295514601 /nfs/dbraw/zinc/51/46/01/295514601.db2.gz GZBJKNBDSJNIBH-UHFFFAOYSA-N -1 0 300.340 0.011 50 0 DCAARM Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1[C@@H](C(=O)[O-])C(C)C ZINC000048990272 302325044 /nfs/dbraw/zinc/32/50/44/302325044.db2.gz SOMLYCTWSFGHLT-MRVPVSSYSA-N -1 0 319.321 0.266 50 0 DCAARM Cc1cnc(C)c(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)n1 ZINC000095358209 302337608 /nfs/dbraw/zinc/33/76/08/302337608.db2.gz XPMHLTHIHFZLQJ-GFCCVEGCSA-N -1 0 318.377 0.995 50 0 DCAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)NCc1ccco1 ZINC000071405396 337366806 /nfs/dbraw/zinc/36/68/06/337366806.db2.gz JICAJPWBRNARAN-QMMMGPOBSA-N -1 0 310.335 0.651 50 0 DCAARM C[C@H](CNS(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000576986147 341873769 /nfs/dbraw/zinc/87/37/69/341873769.db2.gz PFBMFBNTPQEYEP-RXMQYKEDSA-N -1 0 315.273 0.438 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000299745062 534525831 /nfs/dbraw/zinc/52/58/31/534525831.db2.gz VWZBTVLQTIVCNT-AWEZNQCLSA-N -1 0 305.330 0.866 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)CCO1 ZINC000299745088 534537969 /nfs/dbraw/zinc/53/79/69/534537969.db2.gz WBRGZNGEBZGFOB-GFCCVEGCSA-N -1 0 304.302 0.497 50 0 DCAARM COc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000262836416 525814296 /nfs/dbraw/zinc/81/42/96/525814296.db2.gz BSZBKGAVBRDFBH-GFCCVEGCSA-N -1 0 320.345 0.891 50 0 DCAARM CCN(C[C@@H](O)COc1ccccc1C(C)=O)S(=O)(=O)[O-] ZINC000022589994 657519062 /nfs/dbraw/zinc/51/90/62/657519062.db2.gz ZSSJYDCNXFQXIO-LLVKDONJSA-N -1 0 317.363 0.754 50 0 DCAARM COc1ccc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](O)C1 ZINC001704280221 1179958759 /nfs/dbraw/zinc/95/87/59/1179958759.db2.gz WAUXGXJZKFOHED-NWDGAFQWSA-N -1 0 309.318 0.661 50 0 DCAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)CC[C@@H]1O ZINC001704297870 1179965414 /nfs/dbraw/zinc/96/54/14/1179965414.db2.gz AARMECZGPLORON-QWRGUYRKSA-N -1 0 319.766 0.796 50 0 DCAARM CCC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(N)nc2)C[C@@H]1O ZINC001704302508 1179965833 /nfs/dbraw/zinc/96/58/33/1179965833.db2.gz NPWIYGBEWGHGAA-NHYWBVRUSA-N -1 0 307.350 0.742 50 0 DCAARM Cc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](C(=O)[O-])C1 ZINC001704339433 1179978901 /nfs/dbraw/zinc/97/89/01/1179978901.db2.gz GLSZNZWONIKINX-WDEREUQCSA-N -1 0 317.338 0.590 50 0 DCAARM CO[C@@H]1CCCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000230233580 1180551490 /nfs/dbraw/zinc/55/14/90/1180551490.db2.gz GAWMRHFSMKHFJZ-SECBINFHSA-N -1 0 315.347 0.890 50 0 DCAARM Cc1noc(C)c1Cn1nc2n(c1=O)CC[C@H](C(=O)[O-])CC2 ZINC000675016918 748026732 /nfs/dbraw/zinc/02/67/32/748026732.db2.gz HGUIOBLGWHYCFI-SNVBAGLBSA-N -1 0 306.322 0.735 50 0 DCAARM Cn1cc([C@@H](NC(=O)CCc2cc(=O)[n-]o2)[C@H]2C[C@@H](O)C2)cn1 ZINC000828870045 759115544 /nfs/dbraw/zinc/11/55/44/759115544.db2.gz NLIMEVKDZNRRCP-ISOBSLSZSA-N -1 0 320.349 0.675 50 0 DCAARM COc1cc(C(=O)N[C@@H](CCSC)c2nnn[n-]2)sn1 ZINC000585131209 766292772 /nfs/dbraw/zinc/29/27/72/766292772.db2.gz ONGVEOJJZBNFQM-LURJTMIESA-N -1 0 314.396 0.889 50 0 DCAARM CCNC(=O)[C@@H]1CCN(C(=O)c2cc(O)cc(C(=O)[O-])c2)C1 ZINC001529101691 1014493594 /nfs/dbraw/zinc/49/35/94/1014493594.db2.gz LWKZOAUTCKESRV-SECBINFHSA-N -1 0 306.318 0.689 50 0 DCAARM CCc1ccccc1-n1c(O)c2[nH][n-]c(C(=O)OC)c-2c1=O ZINC000095481303 185373995 /nfs/dbraw/zinc/37/39/95/185373995.db2.gz BYXNYHPMEAWBOU-QWRGUYRKSA-N -1 0 301.302 0.239 50 0 DCAARM CC(C)Cc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])n(C)n1 ZINC000095497734 185374502 /nfs/dbraw/zinc/37/45/02/185374502.db2.gz KVFXSNGZBZEVIQ-JTQLQIEISA-N -1 0 310.354 0.067 50 0 DCAARM O=C([O-])CNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000004200302 181084390 /nfs/dbraw/zinc/08/43/90/181084390.db2.gz KNJYUNQQCFAMNY-UHFFFAOYSA-N -1 0 302.333 0.094 50 0 DCAARM COc1ccc(CNC(=O)C[S@@](=O)CC(=O)[O-])cc1OC ZINC000005351448 181233393 /nfs/dbraw/zinc/23/33/93/181233393.db2.gz CONGEKDSFSXCHV-NRFANRHFSA-N -1 0 315.347 0.153 50 0 DCAARM CC(C)[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000085432489 192504453 /nfs/dbraw/zinc/50/44/53/192504453.db2.gz WYNUVWKXIBKXMI-LLVKDONJSA-N -1 0 307.354 0.417 50 0 DCAARM CN(CC(=O)[O-])C(=O)[C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000237156338 202169957 /nfs/dbraw/zinc/16/99/57/202169957.db2.gz QIKHHPQGCHYKLN-LLVKDONJSA-N -1 0 312.272 0.861 50 0 DCAARM Cc1nn(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)c1Cl ZINC000237864236 202373893 /nfs/dbraw/zinc/37/38/93/202373893.db2.gz ZLNKJZNETLFXHZ-SNVBAGLBSA-N -1 0 315.757 0.855 50 0 DCAARM C[C@H]1C[C@@H]1c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)o1 ZINC000367070568 239140473 /nfs/dbraw/zinc/14/04/73/239140473.db2.gz FCYZFXKQBKMSBY-IUCAKERBSA-N -1 0 314.363 0.599 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C1CC1 ZINC000091604594 193078477 /nfs/dbraw/zinc/07/84/77/193078477.db2.gz KARAEPVFJXEXEL-QWHCGFSZSA-N -1 0 308.378 0.958 50 0 DCAARM C[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)c1n[nH]c(=O)[n-]1 ZINC000091757302 193102836 /nfs/dbraw/zinc/10/28/36/193102836.db2.gz TVXNOHZNBVJFTO-SNVBAGLBSA-N -1 0 312.333 0.834 50 0 DCAARM CC(=O)NCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000092107106 193160811 /nfs/dbraw/zinc/16/08/11/193160811.db2.gz HPDWQIQRZPZIBN-QWHCGFSZSA-N -1 0 308.309 0.588 50 0 DCAARM O=C([O-])Cn1nnnc1[C@@H](c1ccccc1)N1CCOCC1 ZINC000019093591 182104369 /nfs/dbraw/zinc/10/43/69/182104369.db2.gz WJCGZMJZBWYCBG-CYBMUJFWSA-N -1 0 303.322 0.179 50 0 DCAARM CCn1ncc(CN2CCN(C(=O)CCC(=O)[O-])CC2)c1C ZINC000020615802 182239208 /nfs/dbraw/zinc/23/92/08/182239208.db2.gz AGDAPWALGYIWNU-UHFFFAOYSA-N -1 0 308.382 0.720 50 0 DCAARM O=C([O-])c1ccc(CNS(=O)(=O)N2CCOCC2)cc1 ZINC000021507938 182275594 /nfs/dbraw/zinc/27/55/94/182275594.db2.gz OREHGDCKYYMIRK-UHFFFAOYSA-N -1 0 300.336 0.051 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000238078164 304185799 /nfs/dbraw/zinc/18/57/99/304185799.db2.gz XZSIEVFNSMCFKA-MRVPVSSYSA-N -1 0 315.123 0.827 50 0 DCAARM CC(C)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-] ZINC000035160003 182757547 /nfs/dbraw/zinc/75/75/47/182757547.db2.gz XCOURWSHHOXCRZ-JTQLQIEISA-N -1 0 313.335 0.244 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 ZINC000043700683 183381775 /nfs/dbraw/zinc/38/17/75/183381775.db2.gz TTWGMBRESZNVGN-MRVPVSSYSA-N -1 0 303.112 0.703 50 0 DCAARM COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000062132469 184207618 /nfs/dbraw/zinc/20/76/18/184207618.db2.gz HXOQXLXHRQUCAY-QMMMGPOBSA-N -1 0 303.311 0.930 50 0 DCAARM O=C(OCc1nccs1)c1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC000065566033 184367382 /nfs/dbraw/zinc/36/73/82/184367382.db2.gz DPKIAMUBRURKPR-UHFFFAOYSA-N -1 0 324.339 0.932 50 0 DCAARM CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000065607436 184371934 /nfs/dbraw/zinc/37/19/34/184371934.db2.gz ZLCPNEULVRHIRQ-UHFFFAOYSA-N -1 0 310.335 0.579 50 0 DCAARM O=C([O-])c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000020265800 304246767 /nfs/dbraw/zinc/24/67/67/304246767.db2.gz OCFUMPVNNJSMMF-CQSZACIVSA-N -1 0 324.402 0.694 50 0 DCAARM CC(C)C[C@H](NC(=O)N1CCN(c2nc[nH]n2)CC1)C(=O)[O-] ZINC000426613627 257245444 /nfs/dbraw/zinc/24/54/44/257245444.db2.gz LXYRTWOFJMPNGH-JTQLQIEISA-N -1 0 310.358 0.136 50 0 DCAARM C[C@@H](O)[C@H](NC(=O)CCC(=O)Nc1cccc(O)c1)C(=O)[O-] ZINC000426544653 257247085 /nfs/dbraw/zinc/24/70/85/257247085.db2.gz GYQLRIHJVIPTHZ-OQPBUACISA-N -1 0 310.306 0.061 50 0 DCAARM CCc1cc(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@H]2C)cc(=O)[nH]1 ZINC000426443022 257249923 /nfs/dbraw/zinc/24/99/23/257249923.db2.gz ALZWHXPSHCRXCV-SECBINFHSA-N -1 0 321.333 0.107 50 0 DCAARM COc1ccc(C(=O)NCC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000069662032 184834421 /nfs/dbraw/zinc/83/44/21/184834421.db2.gz MHYZADLTQIUVOY-AWEZNQCLSA-N -1 0 308.334 0.999 50 0 DCAARM CCN1C[C@@H](C(=O)NCCCc2nonc2C(=O)[O-])CCC1=O ZINC000095508851 285434549 /nfs/dbraw/zinc/43/45/49/285434549.db2.gz RYICBNLIFVEIGW-VIFPVBQESA-N -1 0 324.337 0.075 50 0 DCAARM Cn1nc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)ccc1=O ZINC000013177054 395688476 /nfs/dbraw/zinc/68/84/76/395688476.db2.gz YOEPKSJFKXDPGA-GFCCVEGCSA-N -1 0 319.292 0.865 50 0 DCAARM COC1CCN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000013454922 395688540 /nfs/dbraw/zinc/68/85/40/395688540.db2.gz VDPBEMIPTCYQQW-UHFFFAOYSA-N -1 0 315.347 0.890 50 0 DCAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000013320520 395688563 /nfs/dbraw/zinc/68/85/63/395688563.db2.gz PGLQBYMUSHKMEA-HOAMVYINSA-N -1 0 310.394 0.572 50 0 DCAARM O=S(=O)([N-]c1nccs1)c1ccc(-n2cnnn2)cc1 ZINC000000181261 395680000 /nfs/dbraw/zinc/68/00/00/395680000.db2.gz WJFMBGMKGIRMGN-UHFFFAOYSA-N -1 0 308.348 0.920 50 0 DCAARM COc1ccccc1[N-]S(=O)(=O)c1[nH]c(=O)[nH]c(=O)c1C ZINC000000313211 395680183 /nfs/dbraw/zinc/68/01/83/395680183.db2.gz PPDYTTZJTDCPOK-UHFFFAOYSA-N -1 0 311.319 0.593 50 0 DCAARM COc1cccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)c1OC ZINC000001000644 395680641 /nfs/dbraw/zinc/68/06/41/395680641.db2.gz PBKFDXPVLRARMH-UHFFFAOYSA-N -1 0 306.318 0.913 50 0 DCAARM COc1cc(NC(=O)Cn2cnnn2)c(C(=O)[O-])cc1OC ZINC000002739254 395681793 /nfs/dbraw/zinc/68/17/93/395681793.db2.gz JKIFFIVZVBCPGB-UHFFFAOYSA-N -1 0 307.266 0.027 50 0 DCAARM O=C([O-])c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O ZINC000002710660 395681818 /nfs/dbraw/zinc/68/18/18/395681818.db2.gz CQDPTMSXUOMWIE-UHFFFAOYSA-N -1 0 318.329 0.703 50 0 DCAARM NS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1 ZINC000037302279 395726066 /nfs/dbraw/zinc/72/60/66/395726066.db2.gz UIPGOVRYBLKCDS-MRVPVSSYSA-N -1 0 300.336 0.623 50 0 DCAARM CSCCc1nc([C@@H](C)N2CCCC2=O)n(CC(=O)[O-])n1 ZINC000097492595 395757942 /nfs/dbraw/zinc/75/79/42/395757942.db2.gz BMDWBVVVQATJCU-SECBINFHSA-N -1 0 312.395 0.952 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000100059260 395762722 /nfs/dbraw/zinc/76/27/22/395762722.db2.gz OCYOUKBIWMOJHK-MNOVXSKESA-N -1 0 301.302 0.294 50 0 DCAARM CC(=O)c1ccc(OCC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000221200035 395850695 /nfs/dbraw/zinc/85/06/95/395850695.db2.gz XJADWDMZSUYQCE-ZDUSSCGKSA-N -1 0 321.329 0.970 50 0 DCAARM CN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C1=O ZINC000230010044 395877331 /nfs/dbraw/zinc/87/73/31/395877331.db2.gz TZVQGAFUWZDPPL-BLLLJJGKSA-N -1 0 315.329 0.347 50 0 DCAARM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC2)C1=O ZINC000253430150 396028895 /nfs/dbraw/zinc/02/88/95/396028895.db2.gz XJIWBNFYUBLLIF-QWHCGFSZSA-N -1 0 302.330 0.939 50 0 DCAARM O=C(Cn1[n-]c(=O)ccc1=O)NCc1cc(-c2ccco2)on1 ZINC000067756448 396033507 /nfs/dbraw/zinc/03/35/07/396033507.db2.gz DGUILCGCEVEJOL-UHFFFAOYSA-N -1 0 316.273 0.513 50 0 DCAARM Cc1nn2cc(S(=O)(=O)N(C)CC(=O)[O-])cnc2c1Cl ZINC000261684099 396055918 /nfs/dbraw/zinc/05/59/18/396055918.db2.gz ADXZTTBYRQTLMO-UHFFFAOYSA-N -1 0 318.742 0.396 50 0 DCAARM CN(CC(=O)N1CCOCC1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000262219500 396112213 /nfs/dbraw/zinc/11/22/13/396112213.db2.gz LCYROWSSOPMPFO-UHFFFAOYSA-N -1 0 312.347 0.377 50 0 DCAARM Cc1cccc(N2CCN(C(=O)c3n[nH]c(=O)[n-]3)[C@@H](C)C2)n1 ZINC000072285290 396129823 /nfs/dbraw/zinc/12/98/23/396129823.db2.gz AWFHODQSMKMFFX-JTQLQIEISA-N -1 0 302.338 0.565 50 0 DCAARM O=C([O-])CCn1c(=O)oc2cc(N3C(=O)CCC3=O)ccc21 ZINC000075260641 396178868 /nfs/dbraw/zinc/17/88/68/396178868.db2.gz HKVTZJHTHFHBBD-UHFFFAOYSA-N -1 0 304.258 0.723 50 0 DCAARM C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@H](C(=O)[O-])C2)NC1=O ZINC000262974342 396195697 /nfs/dbraw/zinc/19/56/97/396195697.db2.gz MDJHDMSMHVXBNU-KCJUWKMLSA-N -1 0 320.301 0.332 50 0 DCAARM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1n[nH]c(=O)[n-]1 ZINC000076089129 396196787 /nfs/dbraw/zinc/19/67/87/396196787.db2.gz ZGHMZQVEEPRSDR-UHFFFAOYSA-N -1 0 316.296 0.395 50 0 DCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2cccc3ccoc32)CCO1 ZINC000580817961 396501561 /nfs/dbraw/zinc/50/15/61/396501561.db2.gz DSNRWLBJDNCHJV-JTQLQIEISA-N -1 0 311.315 0.907 50 0 DCAARM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCS1(=O)=O ZINC000581676733 396575476 /nfs/dbraw/zinc/57/54/76/396575476.db2.gz FYAXPIQSUQVPLI-LLVKDONJSA-N -1 0 313.331 0.909 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CCO1 ZINC000238130217 158643131 /nfs/dbraw/zinc/64/31/31/158643131.db2.gz DNZFFJXAAXRHNO-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM CCO[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262204810 158784702 /nfs/dbraw/zinc/78/47/02/158784702.db2.gz PBVUJLCFYMPYHW-SDDRHHMPSA-N -1 0 312.366 0.193 50 0 DCAARM C[C@H](CNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)[O-] ZINC000262541336 158822741 /nfs/dbraw/zinc/82/27/41/158822741.db2.gz RKMXXMAHEQOYJO-NEPJUHHUSA-N -1 0 311.382 0.751 50 0 DCAARM CO[C@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000262853668 158845500 /nfs/dbraw/zinc/84/55/00/158845500.db2.gz GZARYLXRJYEMHC-CYBMUJFWSA-N -1 0 320.345 0.638 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CCO1 ZINC000314910484 159000334 /nfs/dbraw/zinc/00/03/34/159000334.db2.gz DNZFFJXAAXRHNO-ZDUSSCGKSA-N -1 0 301.302 0.798 50 0 DCAARM C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])CS2 ZINC000042145299 415204595 /nfs/dbraw/zinc/20/45/95/415204595.db2.gz IVNWVYUXSFKPJO-BFVZDQMLSA-N -1 0 312.391 0.906 50 0 DCAARM COCCOc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000268996167 415248974 /nfs/dbraw/zinc/24/89/74/415248974.db2.gz VSBYWHMOCXOUOY-ZDUSSCGKSA-N -1 0 309.318 0.637 50 0 DCAARM CC(C)C[C@@H](CNC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000094702594 415547039 /nfs/dbraw/zinc/54/70/39/415547039.db2.gz GNRGRXQQNXJENC-WDEREUQCSA-N -1 0 320.411 0.274 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000095949207 415564701 /nfs/dbraw/zinc/56/47/01/415564701.db2.gz GCSRRHHONNPVLO-QWHCGFSZSA-N -1 0 308.378 0.958 50 0 DCAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000238071326 416329719 /nfs/dbraw/zinc/32/97/19/416329719.db2.gz FQOUMRXXIQGRIE-SECBINFHSA-N -1 0 318.251 0.943 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000299749512 278063395 /nfs/dbraw/zinc/06/33/95/278063395.db2.gz KNPLQUZYEHCHIW-VXGBXAGGSA-N -1 0 308.359 0.850 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000299749511 278066990 /nfs/dbraw/zinc/06/69/90/278066990.db2.gz KNPLQUZYEHCHIW-RYUDHWBXSA-N -1 0 308.359 0.850 50 0 DCAARM CC(C)C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)[O-] ZINC000037430994 279000357 /nfs/dbraw/zinc/00/03/57/279000357.db2.gz HDXIRAORZQGOHF-NXEZZACHSA-N -1 0 306.384 0.026 50 0 DCAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCOCC2)C1 ZINC000092028207 292728486 /nfs/dbraw/zinc/72/84/86/292728486.db2.gz TUZYLOMHYKMQPV-CQSZACIVSA-N -1 0 300.355 0.642 50 0 DCAARM COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C[C@H]2O ZINC000262668776 295185127 /nfs/dbraw/zinc/18/51/27/295185127.db2.gz WRMNERCDWPUNNJ-WCABBAIRSA-N -1 0 321.329 0.800 50 0 DCAARM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436514 295516273 /nfs/dbraw/zinc/51/62/73/295516273.db2.gz ILTWONWNPCQWMI-QWRGUYRKSA-N -1 0 318.395 0.124 50 0 DCAARM C[C@@H]1O[C@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O ZINC000245235240 297647813 /nfs/dbraw/zinc/64/78/13/297647813.db2.gz IOBCYGJFFBZLHE-HASKGGTLSA-N -1 0 317.725 0.278 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)CCO1 ZINC000268937766 534504107 /nfs/dbraw/zinc/50/41/07/534504107.db2.gz CVGNMCJWHJNFNU-CHWSQXEVSA-N -1 0 305.330 0.940 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000268966127 534526022 /nfs/dbraw/zinc/52/60/22/534526022.db2.gz CQUXTHGOQBTWGT-NSHDSACASA-N -1 0 303.274 0.662 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000299749510 526680282 /nfs/dbraw/zinc/68/02/82/526680282.db2.gz KNPLQUZYEHCHIW-NWDGAFQWSA-N -1 0 308.359 0.850 50 0 DCAARM CC(=O)N[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000299747495 526881670 /nfs/dbraw/zinc/88/16/70/526881670.db2.gz DEGGTRIQWJKKKZ-ZIAGYGMSSA-N -1 0 320.345 0.566 50 0 DCAARM CCN(CC)S(=O)(=O)CC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262493666 600906338 /nfs/dbraw/zinc/90/63/38/600906338.db2.gz XAVYDNFSSSGVDC-UHFFFAOYSA-N -1 0 320.411 0.371 50 0 DCAARM Cn1nnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000313374947 658741322 /nfs/dbraw/zinc/74/13/22/658741322.db2.gz CYNPLBJLMJMEIZ-DAXSKMNVSA-N -1 0 309.307 0.109 50 0 DCAARM O=C([O-])c1nccnc1N1CCC[C@H](CNC(=O)C2CC2)C1 ZINC000952967729 685599345 /nfs/dbraw/zinc/59/93/45/685599345.db2.gz KXGOCDIPCDAEKA-SNVBAGLBSA-N -1 0 304.350 0.917 50 0 DCAARM COCCNC(=O)c1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1C ZINC000199392163 749269178 /nfs/dbraw/zinc/26/91/78/749269178.db2.gz YNWQXOZIRLXXIG-NSHDSACASA-N -1 0 320.345 0.809 50 0 DCAARM CC(C)Oc1ccc(CCNC(=O)Cn2c(=O)[n-][nH]c2=O)cc1 ZINC000585122164 766287668 /nfs/dbraw/zinc/28/76/68/766287668.db2.gz OXBJCJXGPRHCEM-UHFFFAOYSA-N -1 0 320.349 0.835 50 0 DCAARM CCOc1ccc([C@@H](C)NC(=O)Cn2[n-]nnc2=N)cc1F ZINC001506410825 1017261606 /nfs/dbraw/zinc/26/16/06/1017261606.db2.gz UOKZUMXYGFVWAA-MRVPVSSYSA-N -1 0 308.317 0.501 50 0 DCAARM CCCS(=O)(=O)CC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000095424718 185361532 /nfs/dbraw/zinc/36/15/32/185361532.db2.gz WXYDLIBVCLMFHD-VIFPVBQESA-N -1 0 309.409 0.230 50 0 DCAARM NC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000225587135 186280391 /nfs/dbraw/zinc/28/03/91/186280391.db2.gz GHUVTELTVUTTNA-MNOVXSKESA-N -1 0 312.347 0.317 50 0 DCAARM COC(=O)c1nn(CC(=O)[O-])cc1I ZINC000072339422 191126142 /nfs/dbraw/zinc/12/61/42/191126142.db2.gz YBXHTNNCGSTQKW-UHFFFAOYSA-N -1 0 310.047 0.359 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)CCc2[nH]nc3c2CCCC3)CCO1 ZINC000072423280 191158555 /nfs/dbraw/zinc/15/85/55/191158555.db2.gz FBIGYGOJJCPJRJ-CYBMUJFWSA-N -1 0 307.350 0.533 50 0 DCAARM O=C([O-])C[C@H]1COCCN1C(=O)CCc1cc(Cl)no1 ZINC000072481000 191181603 /nfs/dbraw/zinc/18/16/03/191181603.db2.gz PRQQLDREDXYSNL-QMMMGPOBSA-N -1 0 302.714 0.963 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCO1 ZINC000072468913 191175182 /nfs/dbraw/zinc/17/51/82/191175182.db2.gz ZGUGLPSZIMQZFW-GFCCVEGCSA-N -1 0 303.318 0.808 50 0 DCAARM O=C([O-])CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004501910 181115911 /nfs/dbraw/zinc/11/59/11/181115911.db2.gz HEXADDRAWPRQIP-UHFFFAOYSA-N -1 0 320.345 0.924 50 0 DCAARM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004641467 181131478 /nfs/dbraw/zinc/13/14/78/181131478.db2.gz AFRSUXWJUFUMFM-WPRPVWTQSA-N -1 0 305.739 0.549 50 0 DCAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000005055126 181197801 /nfs/dbraw/zinc/19/78/01/181197801.db2.gz COJFVEBCHFRABB-ONGXEEELSA-N -1 0 316.273 0.461 50 0 DCAARM COCc1ccccc1CNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237171740 202174332 /nfs/dbraw/zinc/17/43/32/202174332.db2.gz RLLGVZQLMHMGMS-CQSZACIVSA-N -1 0 306.362 0.998 50 0 DCAARM O=C([O-])CN1C(=O)C(=C2NC(=S)NC2=O)c2ccccc21 ZINC000026532664 304066602 /nfs/dbraw/zinc/06/66/02/304066602.db2.gz HPOBCZJHDVDPGU-KTKRTIGZSA-N -1 0 303.299 0.245 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000262459633 304077032 /nfs/dbraw/zinc/07/70/32/304077032.db2.gz VFMSYQMBVWOMIW-ZYHUDNBSSA-N -1 0 318.329 0.815 50 0 DCAARM CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000194931476 201313190 /nfs/dbraw/zinc/31/31/90/201313190.db2.gz KZGWYTUAURNDOR-KGLIPLIRSA-N -1 0 304.346 0.809 50 0 DCAARM O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)c2ccc(F)cc2C1=O ZINC000006493920 181345623 /nfs/dbraw/zinc/34/56/23/181345623.db2.gz AAIQGMJGNONOTG-LLVKDONJSA-N -1 0 303.249 0.841 50 0 DCAARM COc1ccc(CCn2c(=O)cc([O-])[nH]c2=S)cc1OC ZINC000006679032 181369269 /nfs/dbraw/zinc/36/92/69/181369269.db2.gz MSPRDGVAHUZLIS-UHFFFAOYSA-N -1 0 308.359 0.880 50 0 DCAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CN1CSCC1=O ZINC000221720702 304140668 /nfs/dbraw/zinc/14/06/68/304140668.db2.gz ORHDNQHWUOYFCX-DCAQKATOSA-N -1 0 312.391 0.764 50 0 DCAARM CC(C)C[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)[O-] ZINC000095958120 193459249 /nfs/dbraw/zinc/45/92/49/193459249.db2.gz YQOTZORJFQNIDX-ZDUSSCGKSA-N -1 0 306.362 0.961 50 0 DCAARM COCCc1nc(-c2cccc(COC)n2)n(CC(=O)[O-])n1 ZINC000096130810 193546893 /nfs/dbraw/zinc/54/68/93/193546893.db2.gz AECDDWCDPRVYDJ-UHFFFAOYSA-N -1 0 306.322 0.760 50 0 DCAARM CS(=O)(=O)NCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000012538041 181772643 /nfs/dbraw/zinc/77/26/43/181772643.db2.gz WYDLKPCMJKJXBA-UHFFFAOYSA-N -1 0 313.404 0.998 50 0 DCAARM Cc1nn(-c2nnn(CC(=O)[O-])n2)c(C)c1Br ZINC000036559193 182827203 /nfs/dbraw/zinc/82/72/03/182827203.db2.gz XOJFWPMHDNHNJM-UHFFFAOYSA-N -1 0 301.104 0.323 50 0 DCAARM CS(=O)(=O)[N-]C(=O)CCCn1cnc2ccccc2c1=O ZINC000040543901 183099283 /nfs/dbraw/zinc/09/92/83/183099283.db2.gz IKWHVFJPPVGNFJ-UHFFFAOYSA-N -1 0 309.347 0.253 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CCO1 ZINC000049864861 183761152 /nfs/dbraw/zinc/76/11/52/183761152.db2.gz MZUAOWANJQIGBZ-RYUDHWBXSA-N -1 0 311.721 0.956 50 0 DCAARM O=C(Cn1cnc2ccccc2c1=O)[N-]O[C@H]1CCCCO1 ZINC000058418165 184115218 /nfs/dbraw/zinc/11/52/18/184115218.db2.gz JLSFTOSOZBXUMV-AWEZNQCLSA-N -1 0 303.318 0.971 50 0 DCAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117901 184206624 /nfs/dbraw/zinc/20/66/24/184206624.db2.gz AAOBVZQAQIEPHA-JTQLQIEISA-N -1 0 311.359 0.945 50 0 DCAARM Cn1c2ccc(CN3C[C@@H](C(=O)[O-])CC3=O)cc2n(C)c1=O ZINC000065505547 184356697 /nfs/dbraw/zinc/35/66/97/184356697.db2.gz HFKGFFGBAQJYLJ-JTQLQIEISA-N -1 0 303.318 0.310 50 0 DCAARM Cc1ccc(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])o1 ZINC000170563215 257216913 /nfs/dbraw/zinc/21/69/13/257216913.db2.gz VJKGDEVIJQIDSB-VDDIYKPWSA-N -1 0 324.358 0.833 50 0 DCAARM CC(=O)N[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000322344662 257242220 /nfs/dbraw/zinc/24/22/20/257242220.db2.gz DBCNEODDXRZXNN-KBPBESRZSA-N -1 0 319.361 0.602 50 0 DCAARM Cc1[nH][nH]c(=O)c1CC(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000426689337 257244544 /nfs/dbraw/zinc/24/45/44/257244544.db2.gz WERDOPSZPBKHTE-UHFFFAOYSA-N -1 0 319.317 0.860 50 0 DCAARM CCn1nc(C)c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1C ZINC000426523306 257247659 /nfs/dbraw/zinc/24/76/59/257247659.db2.gz BEDUFEJVYGSAGL-NSHDSACASA-N -1 0 305.338 0.669 50 0 DCAARM O=C([O-])c1ccccc1C(=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000426514610 257247923 /nfs/dbraw/zinc/24/79/23/257247923.db2.gz GBNANZGRIVOOSN-UHFFFAOYSA-N -1 0 315.333 0.461 50 0 DCAARM COc1cccc(CO[C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268968896 533526386 /nfs/dbraw/zinc/52/63/86/533526386.db2.gz FIUUZPNOMUDCNN-FZMZJTMJSA-N -1 0 323.345 0.912 50 0 DCAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC000013248441 395688518 /nfs/dbraw/zinc/68/85/18/395688518.db2.gz BHFQXIWUFWXFEN-UHFFFAOYSA-N -1 0 313.375 0.849 50 0 DCAARM O=c1ccc(=O)n(CN2CCN(c3ccccc3F)CC2)[n-]1 ZINC000019973685 395691139 /nfs/dbraw/zinc/69/11/39/395691139.db2.gz XWUKRDFVKVVIKU-UHFFFAOYSA-N -1 0 304.325 0.868 50 0 DCAARM Nc1nc(N)c2nc(CNc3ccc(C(=O)[O-])cc3)cnc2n1 ZINC000001559380 395680936 /nfs/dbraw/zinc/68/09/36/395680936.db2.gz OSYSFOFKQDNPGP-UHFFFAOYSA-N -1 0 311.305 0.895 50 0 DCAARM O=C([O-])CCCNC(=O)CCCn1nnc2ccccc2c1=O ZINC000002229089 395681444 /nfs/dbraw/zinc/68/14/44/395681444.db2.gz OPSQZMPGGXYIIQ-UHFFFAOYSA-N -1 0 318.333 0.553 50 0 DCAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000002737137 395681838 /nfs/dbraw/zinc/68/18/38/395681838.db2.gz OMPFMPHZXFHHSN-GFCCVEGCSA-N -1 0 312.347 0.629 50 0 DCAARM CC1CCC(NC(=O)CN2CSCC2=O)(C(=O)[O-])CC1 ZINC000037457022 395727562 /nfs/dbraw/zinc/72/75/62/395727562.db2.gz FARLBDWVGLXVLM-UHFFFAOYSA-N -1 0 300.380 0.669 50 0 DCAARM Cc1cc(=O)n2nc(Cc3nc([C@H]4CCOC4)no3)[n-]c2n1 ZINC000096141150 395746173 /nfs/dbraw/zinc/74/61/73/395746173.db2.gz XFTOLQLYEJOKDX-QMMMGPOBSA-N -1 0 302.294 0.616 50 0 DCAARM COC(=O)C1=NOC2=C([O-])N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000100165773 395762880 /nfs/dbraw/zinc/76/28/80/395762880.db2.gz IRLFDERRZXNXJQ-GXSJLCMTSA-N -1 0 304.258 0.112 50 0 DCAARM COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])ccn1 ZINC000222393164 395852832 /nfs/dbraw/zinc/85/28/32/395852832.db2.gz QWTFEKJNRGPZJX-GHMZBOCLSA-N -1 0 310.306 0.079 50 0 DCAARM Cc1ccc(C)c(OCC(=O)NCCc2n[nH]c(=O)[n-]2)c1C ZINC000055308853 395916670 /nfs/dbraw/zinc/91/66/70/395916670.db2.gz SRXCFQBJZSABSD-UHFFFAOYSA-N -1 0 304.350 0.761 50 0 DCAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1nc[nH]n1)CC2 ZINC000067672982 396030830 /nfs/dbraw/zinc/03/08/30/396030830.db2.gz PXLYGCYLILRVJM-UHFFFAOYSA-N -1 0 316.321 0.308 50 0 DCAARM C[C@@H]1CCc2[nH]nc(C(=O)NCCn3[n-]c(=O)ccc3=O)c2C1 ZINC000067673300 396030936 /nfs/dbraw/zinc/03/09/36/396030936.db2.gz RBBJOMKFFMFIGG-SECBINFHSA-N -1 0 317.349 0.227 50 0 DCAARM CC(C)c1cc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)[nH]n1 ZINC000157908333 396064177 /nfs/dbraw/zinc/06/41/77/396064177.db2.gz JPAVLSGXIXRXMX-VIFPVBQESA-N -1 0 301.368 0.629 50 0 DCAARM CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000261799132 396067067 /nfs/dbraw/zinc/06/70/67/396067067.db2.gz KXLWDOCCADVFLC-MRVPVSSYSA-N -1 0 316.335 0.043 50 0 DCAARM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)[S@@](C)=O ZINC000169176251 396090407 /nfs/dbraw/zinc/09/04/07/396090407.db2.gz OSXNKHXKALDGIP-ASCAZGACSA-N -1 0 305.377 0.430 50 0 DCAARM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(F)cn1 ZINC000170614276 396095837 /nfs/dbraw/zinc/09/58/37/396095837.db2.gz NMEVIYQHROQLMG-UHFFFAOYSA-N -1 0 300.253 0.742 50 0 DCAARM CC[C@H](C(=O)[O-])n1c(C)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000170624205 396096106 /nfs/dbraw/zinc/09/61/06/396096106.db2.gz QSSFKJUFBIVERK-SSDOTTSWSA-N -1 0 305.294 0.020 50 0 DCAARM Cn1ccnc1[C@@H]1[C@H](C(=O)[O-])CC(=O)N1CCCn1cccn1 ZINC000072275739 396128933 /nfs/dbraw/zinc/12/89/33/396128933.db2.gz ZZRASOBNFDRGSJ-YPMHNXCESA-N -1 0 317.349 0.681 50 0 DCAARM O=C([O-])C[C@H]1CN(C(=O)COCCOc2ccccc2)CCO1 ZINC000262406028 396136418 /nfs/dbraw/zinc/13/64/18/396136418.db2.gz BCPBACTYQOECTE-AWEZNQCLSA-N -1 0 323.345 0.784 50 0 DCAARM C[C@H]1CN(C(=O)CC2(C(=O)[O-])CCC2)CCN1S(C)(=O)=O ZINC000262883119 396189885 /nfs/dbraw/zinc/18/98/85/396189885.db2.gz WDHYXQNGKWMWIW-JTQLQIEISA-N -1 0 318.395 0.124 50 0 DCAARM CN(CCC(=O)[O-])C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000269092106 396385371 /nfs/dbraw/zinc/38/53/71/396385371.db2.gz VREXWHREBPIHQC-CQSZACIVSA-N -1 0 306.362 0.821 50 0 DCAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000268962652 396379090 /nfs/dbraw/zinc/37/90/90/396379090.db2.gz ATXXXDIANTWQOI-WXJAXGNASA-N -1 0 318.329 0.371 50 0 DCAARM CCS(=O)(=O)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000262185447 286593533 /nfs/dbraw/zinc/59/35/33/286593533.db2.gz QNFIMJWDRFSOSN-LBPRGKRZSA-N -1 0 311.359 0.459 50 0 DCAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)C2 ZINC000262471134 158816505 /nfs/dbraw/zinc/81/65/05/158816505.db2.gz ZYGHWDADYFTEOF-KGLIPLIRSA-N -1 0 305.330 0.919 50 0 DCAARM CCO[C@@H]1C[C@H]1C(=O)N(C)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262494897 158819028 /nfs/dbraw/zinc/81/90/28/158819028.db2.gz GVZRKDAQXXQHKZ-VXGBXAGGSA-N -1 0 312.366 0.193 50 0 DCAARM O=c1nc(Cn2nnc(-c3ccccc3Br)n2)[nH][n-]1 ZINC000129865460 196081292 /nfs/dbraw/zinc/08/12/92/196081292.db2.gz BJQZMTQAWVAACC-UHFFFAOYSA-N -1 0 322.126 0.562 50 0 DCAARM CN1C(C(=O)N2CCOCC2)=C([O-])c2ccccc2S1(=O)=O ZINC000020546525 415153006 /nfs/dbraw/zinc/15/30/06/415153006.db2.gz WBXPAKLXTAWODL-UHFFFAOYSA-N -1 0 324.358 0.406 50 0 DCAARM CCO[C@H](C)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-] ZINC000004554791 415130128 /nfs/dbraw/zinc/13/01/28/415130128.db2.gz IOXOCYGMTXMOFK-KCGFPETGSA-N -1 0 316.379 0.043 50 0 DCAARM CC(C)[C@@H](O)C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072429660 415414509 /nfs/dbraw/zinc/41/45/09/415414509.db2.gz KDUGYWJKQAUAGD-CQSZACIVSA-N -1 0 309.366 0.650 50 0 DCAARM Cn1c(CO)nnc1[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095356947 415553395 /nfs/dbraw/zinc/55/33/95/415553395.db2.gz LONNQWMJDQMEIH-SECBINFHSA-N -1 0 318.337 0.180 50 0 DCAARM O=C([O-])C1=Nc2nnnn2[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000102742032 415598715 /nfs/dbraw/zinc/59/87/15/415598715.db2.gz CDDJQRHRUJTQRI-SECBINFHSA-N -1 0 301.262 0.428 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCO1 ZINC000238130783 416329720 /nfs/dbraw/zinc/32/97/20/416329720.db2.gz LXGOLYQGJRBAQY-CYBMUJFWSA-N -1 0 301.302 0.798 50 0 DCAARM CCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659761139 418178166 /nfs/dbraw/zinc/17/81/66/418178166.db2.gz XHEMNBWBZCMGJA-CYBMUJFWSA-N -1 0 320.345 0.891 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000299743892 229382331 /nfs/dbraw/zinc/38/23/31/229382331.db2.gz PXLVFDOCCCRBIC-VIFPVBQESA-N -1 0 317.301 0.035 50 0 DCAARM O=C([O-])C[C@H](NC(=O)CN1CSCC1=O)c1cccs1 ZINC000299753779 229397748 /nfs/dbraw/zinc/39/77/48/229397748.db2.gz ZIALLRGMQCYGFA-QMMMGPOBSA-N -1 0 314.388 0.913 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000299747971 278064318 /nfs/dbraw/zinc/06/43/18/278064318.db2.gz FPVCFRDHYZLLET-NSHDSACASA-N -1 0 302.396 0.867 50 0 DCAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(S(C)(=O)=O)CC1 ZINC000140231435 278381467 /nfs/dbraw/zinc/38/14/67/278381467.db2.gz FOZPYZXHNXXAHO-UHFFFAOYSA-N -1 0 307.368 0.885 50 0 DCAARM CN1C(=O)C[C@H](C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc21 ZINC000299748222 289832334 /nfs/dbraw/zinc/83/23/34/289832334.db2.gz GMNNQWRLEYJHNO-AAEUAGOBSA-N -1 0 318.329 0.449 50 0 DCAARM C[C@@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000262818231 297911120 /nfs/dbraw/zinc/91/11/20/297911120.db2.gz PHHGZRYYLSRPBE-BXUZGUMPSA-N -1 0 317.407 0.961 50 0 DCAARM Cc1nn(C)c2sc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc12 ZINC000088374699 302792461 /nfs/dbraw/zinc/79/24/61/302792461.db2.gz XEPIKMQSLBGTLQ-VIFPVBQESA-N -1 0 309.347 0.869 50 0 DCAARM Cn1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000261788852 303042256 /nfs/dbraw/zinc/04/22/56/303042256.db2.gz XPJQPGDXEUTEFB-JLLWLGSASA-N -1 0 305.334 0.638 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000299742004 534539360 /nfs/dbraw/zinc/53/93/60/534539360.db2.gz APSZDOTWTNGGMZ-CYBMUJFWSA-N -1 0 319.292 0.937 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000299745063 534539750 /nfs/dbraw/zinc/53/97/50/534539750.db2.gz VWZBTVLQTIVCNT-CQSZACIVSA-N -1 0 305.330 0.866 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)COCCOc1ccccc1 ZINC000299747598 534539880 /nfs/dbraw/zinc/53/98/80/534539880.db2.gz DHORCUYUSWOLSW-CYBMUJFWSA-N -1 0 309.318 0.394 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1c1ccccc1 ZINC000262803720 545986150 /nfs/dbraw/zinc/98/61/50/545986150.db2.gz CVKVCUFPZHUNMD-MCIONIFRSA-N -1 0 305.330 0.729 50 0 DCAARM CCc1nnc(CN(C)Cc2cc(=O)n3nc(C)[n-]c3n2)o1 ZINC000670437260 547090232 /nfs/dbraw/zinc/09/02/32/547090232.db2.gz QROXTMOHVIHMSG-UHFFFAOYSA-N -1 0 303.326 0.716 50 0 DCAARM O=C([O-])c1ccc(N2CCC[C@H](CNC(=O)C3CC3)C2)nn1 ZINC000952965994 685598945 /nfs/dbraw/zinc/59/89/45/685598945.db2.gz GKQIJESITQXOFD-SNVBAGLBSA-N -1 0 304.350 0.917 50 0 DCAARM Cc1cccc(N2CCC(NC(=O)Cn3[n-]nnc3=N)CC2)c1 ZINC000827864058 758891208 /nfs/dbraw/zinc/89/12/08/758891208.db2.gz MVIRSARRXONNOR-UHFFFAOYSA-N -1 0 315.381 0.179 50 0 DCAARM CCc1cc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)ncn1 ZINC001506395542 1017253582 /nfs/dbraw/zinc/25/35/82/1017253582.db2.gz JOHUTOLYGBFIIH-UHFFFAOYSA-N -1 0 314.349 0.854 50 0 DCAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1COCCN1C ZINC000095456793 185370360 /nfs/dbraw/zinc/37/03/60/185370360.db2.gz SZMJICWOZVGPDO-JTQLQIEISA-N -1 0 322.390 0.274 50 0 DCAARM CCCC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000262406543 282583258 /nfs/dbraw/zinc/58/32/58/282583258.db2.gz ARYJCMSPOUWRFY-NWDGAFQWSA-N -1 0 312.366 0.337 50 0 DCAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237457480 186292071 /nfs/dbraw/zinc/29/20/71/186292071.db2.gz AYXZTUBWUPSRRN-RNCFNFMXSA-N -1 0 309.366 0.528 50 0 DCAARM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cn1 ZINC000072301889 191115302 /nfs/dbraw/zinc/11/53/02/191115302.db2.gz MRXGPVVYTRYTGA-UHFFFAOYSA-N -1 0 313.310 0.996 50 0 DCAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)CO)CC1 ZINC000072425495 191159754 /nfs/dbraw/zinc/15/97/54/191159754.db2.gz OJBJIXPUWAEPCM-UHFFFAOYSA-N -1 0 311.309 0.951 50 0 DCAARM CCCn1c(SCCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2C ZINC000000310602 180755448 /nfs/dbraw/zinc/75/54/48/180755448.db2.gz GJOQWJLUCLPHNN-UHFFFAOYSA-N -1 0 312.351 0.400 50 0 DCAARM CCOC(=O)c1cnn(C)c1NC(=O)c1nccnc1C(=O)[O-] ZINC000004324886 181098071 /nfs/dbraw/zinc/09/80/71/181098071.db2.gz LFSHLOXNXRWCMQ-UHFFFAOYSA-N -1 0 319.277 0.337 50 0 DCAARM COC(=O)c1cc(NC(=O)/C=C\C(=O)[O-])cc(C(=O)OC)c1 ZINC000006007944 181305416 /nfs/dbraw/zinc/30/54/16/181305416.db2.gz MQDKTNLPPBONNN-ARJAWSKDSA-N -1 0 307.258 0.839 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]2)C[C@H]1c1ccc(F)cc1 ZINC000091412068 193052095 /nfs/dbraw/zinc/05/20/95/193052095.db2.gz LVTXLIBWPVJDQT-WDEREUQCSA-N -1 0 319.292 0.783 50 0 DCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1noc(C3CC3)n1)CC2 ZINC000091462287 193059313 /nfs/dbraw/zinc/05/93/13/193059313.db2.gz ZWLXYSNBLKLPEK-SNVBAGLBSA-N -1 0 320.349 0.502 50 0 DCAARM C[C@@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084846 296097409 /nfs/dbraw/zinc/09/74/09/296097409.db2.gz VFXAXQFWZWULTE-IDALBHDPSA-N -1 0 306.343 0.846 50 0 biogenic DCAARM CC(C)[C@H](C(=O)N[C@H](C)C(=O)[O-])n1nnc2ccccc2c1=O ZINC000008235998 181538647 /nfs/dbraw/zinc/53/86/47/181538647.db2.gz VVOFXJZMSNYBFE-BXKDBHETSA-N -1 0 318.333 0.578 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000018067708 182092301 /nfs/dbraw/zinc/09/23/01/182092301.db2.gz MHFNJSXACBOZDX-VXGBXAGGSA-N -1 0 315.329 0.684 50 0 DCAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000021505518 182276101 /nfs/dbraw/zinc/27/61/01/182276101.db2.gz JOMKTTJHQVRIBJ-JTQLQIEISA-N -1 0 315.347 0.851 50 0 DCAARM CSCC[C@H](NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000021817144 182292949 /nfs/dbraw/zinc/29/29/49/182292949.db2.gz HLZPCBHBYMREEN-QMMMGPOBSA-N -1 0 308.381 0.776 50 0 DCAARM Cc1cc(=O)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c[nH]1 ZINC000022001451 182302923 /nfs/dbraw/zinc/30/29/23/182302923.db2.gz UNZMURWBBRKTNN-CYBMUJFWSA-N -1 0 302.286 0.945 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000269215444 304190609 /nfs/dbraw/zinc/19/06/09/304190609.db2.gz XUWHZAIWFSDXGE-JTQLQIEISA-N -1 0 323.349 0.174 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000263061704 304196945 /nfs/dbraw/zinc/19/69/45/304196945.db2.gz YHQCXZNLITWIGY-ZYHUDNBSSA-N -1 0 304.302 0.424 50 0 DCAARM COc1cccc(N2C[C@H](C(=O)[N-]S(C)(=O)=O)CC2=O)c1 ZINC000040544030 183099112 /nfs/dbraw/zinc/09/91/12/183099112.db2.gz JBFVLYIIUUKGGN-SECBINFHSA-N -1 0 312.347 0.124 50 0 DCAARM COc1cccc(N2C[C@@H](C(=O)[N-]S(C)(=O)=O)CC2=O)c1 ZINC000040544033 183099377 /nfs/dbraw/zinc/09/93/77/183099377.db2.gz JBFVLYIIUUKGGN-VIFPVBQESA-N -1 0 312.347 0.124 50 0 DCAARM Cc1ccn(CCNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000061720085 184185364 /nfs/dbraw/zinc/18/53/64/184185364.db2.gz SZBFWSRSJQZJPG-UHFFFAOYSA-N -1 0 316.317 0.645 50 0 DCAARM COc1ccc([C@H](C)NC(=O)Cn2[n-]c(=O)ccc2=O)cc1F ZINC000065479460 184352707 /nfs/dbraw/zinc/35/27/07/184352707.db2.gz KNRBFZFROUDWFH-VIFPVBQESA-N -1 0 321.308 0.562 50 0 DCAARM COc1cc([C@H]2CNC(=O)[C@H]2C(=O)[O-])c(OC)c2c1OCO2 ZINC000066091323 184388643 /nfs/dbraw/zinc/38/86/43/184388643.db2.gz LWLGIQZIEVXYLB-APPZFPTMSA-N -1 0 309.274 0.347 50 0 DCAARM CCc1ccc(CN(C)C(=O)NCCCc2nnn[n-]2)nc1 ZINC000426580791 257246405 /nfs/dbraw/zinc/24/64/05/257246405.db2.gz NXIJEZYETVKCIB-UHFFFAOYSA-N -1 0 303.370 0.931 50 0 DCAARM CN1C(=O)[N-]C(=O)C(=CNC[C@]2(C)C[C@@H](O)CC(C)(C)C2)C1=O ZINC000019535467 395690977 /nfs/dbraw/zinc/69/09/77/395690977.db2.gz HNZXOGMTIJYWCC-SCDPOJGHSA-N -1 0 323.393 0.745 50 0 DCAARM Nc1nnc2[nH]c(=O)c([C@H](C(=O)[O-])c3ccc(Cl)cc3)nn12 ZINC000019799225 395691146 /nfs/dbraw/zinc/69/11/46/395691146.db2.gz SINZNOGERRJIFD-SSDOTTSWSA-N -1 0 320.696 0.677 50 0 DCAARM CC(C)[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000000536508 395680508 /nfs/dbraw/zinc/68/05/08/395680508.db2.gz NNWUZDTWYYJOFR-JTQLQIEISA-N -1 0 315.351 0.565 50 0 DCAARM O=C([O-])CN1C(=O)C(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000002243907 395681390 /nfs/dbraw/zinc/68/13/90/395681390.db2.gz OLCOMWSHMRXIMF-UHFFFAOYSA-N -1 0 314.656 0.855 50 0 DCAARM Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)[O-])cc1C ZINC000002634446 395681673 /nfs/dbraw/zinc/68/16/73/395681673.db2.gz NMXOUNKQTBTTJA-NSHDSACASA-N -1 0 314.363 0.300 50 0 DCAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 ZINC000002578163 395681676 /nfs/dbraw/zinc/68/16/76/395681676.db2.gz OHCJVAIZNSEZTF-CQSZACIVSA-N -1 0 322.386 0.894 50 0 DCAARM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000032917803 395714610 /nfs/dbraw/zinc/71/46/10/395714610.db2.gz CVRRJYCKLIYHFW-UHFFFAOYSA-N -1 0 312.347 0.714 50 0 DCAARM CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2 ZINC000032918674 395714647 /nfs/dbraw/zinc/71/46/47/395714647.db2.gz BVRJBGLRUJZORH-UHFFFAOYSA-N -1 0 306.318 0.979 50 0 DCAARM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)[O-])CC2)cc1C ZINC000035126650 395718974 /nfs/dbraw/zinc/71/89/74/395718974.db2.gz MSDPGMDRHBDDPT-UHFFFAOYSA-N -1 0 312.391 0.694 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 ZINC000101000457 395763906 /nfs/dbraw/zinc/76/39/06/395763906.db2.gz XKHMORBPEMNJAJ-PSASIEDQSA-N -1 0 320.236 0.210 50 0 DCAARM Cc1nc2[n-]c(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn2c(=O)c1C ZINC000102815324 395771367 /nfs/dbraw/zinc/77/13/67/395771367.db2.gz DNCGEIFVMKTVRJ-UWVGGRQHSA-N -1 0 313.317 0.902 50 0 DCAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)Nc3nncn32)cc1 ZINC000049551828 395833150 /nfs/dbraw/zinc/83/31/50/395833150.db2.gz CKYDXGSZEIVVMD-SECBINFHSA-N -1 0 301.262 0.498 50 0 DCAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000222394423 395852730 /nfs/dbraw/zinc/85/27/30/395852730.db2.gz YFZMAWCLSNMYNT-NEPJUHHUSA-N -1 0 321.333 0.343 50 0 DCAARM O=C(CCC(=O)NC1CCCCCC1)NCCCc1nnn[n-]1 ZINC000055340871 395917628 /nfs/dbraw/zinc/91/76/28/395917628.db2.gz UESZNNJHKSZFIP-UHFFFAOYSA-N -1 0 322.413 0.868 50 0 DCAARM CCCCn1ncc(C)c1NC(=O)Cn1[n-]c(=O)ccc1=O ZINC000055414757 395918610 /nfs/dbraw/zinc/91/86/10/395918610.db2.gz JKEGMTKKZMCHHV-UHFFFAOYSA-N -1 0 305.338 0.480 50 0 DCAARM Cn1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000261788854 396066639 /nfs/dbraw/zinc/06/66/39/396066639.db2.gz XPJQPGDXEUTEFB-WCQGTBRESA-N -1 0 305.334 0.638 50 0 DCAARM CN1CC(=O)N(CC(=O)Nc2ccccc2CC(=O)[O-])C1=O ZINC000261831879 396070551 /nfs/dbraw/zinc/07/05/51/396070551.db2.gz BPBYUEBEEGQCSA-UHFFFAOYSA-N -1 0 305.290 0.146 50 0 DCAARM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000069841659 396091714 /nfs/dbraw/zinc/09/17/14/396091714.db2.gz QBHIMUJMJNXIRK-YHYXMXQVSA-N -1 0 321.362 0.824 50 0 DCAARM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CCn2ccnn2)c1 ZINC000170609488 396095507 /nfs/dbraw/zinc/09/55/07/396095507.db2.gz LUJCDGUUHVFXRC-UHFFFAOYSA-N -1 0 312.326 0.621 50 0 DCAARM Cc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CCN2CCOCC2)o1 ZINC000072275687 396128970 /nfs/dbraw/zinc/12/89/70/396128970.db2.gz PMRFGSZHFGWGPE-WFASDCNBSA-N -1 0 322.361 0.894 50 0 DCAARM Cn1c(=O)[nH]c2ccc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc21 ZINC000262841977 396186981 /nfs/dbraw/zinc/18/69/81/396186981.db2.gz ZXHWNXSGKCVDGL-AWEZNQCLSA-N -1 0 307.281 0.505 50 0 DCAARM CS(=O)(=O)N1CCc2c1cccc2NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000263558562 396220902 /nfs/dbraw/zinc/22/09/02/396220902.db2.gz AKVKSCVSOCSDCN-VHSXEESVSA-N -1 0 324.358 0.668 50 0 DCAARM CC(C)c1cc(C(=O)N[C@@H](C)c2n[n-]c(=N)s2)nc(N)n1 ZINC000584891974 396633914 /nfs/dbraw/zinc/63/39/14/396633914.db2.gz KGQYKMVNQZAXNB-LURJTMIESA-N -1 0 307.383 0.768 50 0 DCAARM COc1ccnc(N2CCC(C(=O)N(C)CC(=O)[O-])CC2)n1 ZINC000299753775 396714202 /nfs/dbraw/zinc/71/42/02/396714202.db2.gz ZGTOMGZYPZUQCH-UHFFFAOYSA-N -1 0 308.338 0.245 50 0 DCAARM COC[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)C1CCOCC1 ZINC000630207234 396960253 /nfs/dbraw/zinc/96/02/53/396960253.db2.gz KITQWUFSBONZLD-CYBMUJFWSA-N -1 0 308.334 0.951 50 0 DCAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)C2 ZINC000262471141 158816434 /nfs/dbraw/zinc/81/64/34/158816434.db2.gz ZYGHWDADYFTEOF-ZIAGYGMSSA-N -1 0 305.330 0.919 50 0 DCAARM C[C@H](C(=O)[O-])N(C(=O)C1CCN(C(=O)N(C)C)CC1)C1CC1 ZINC000262570305 158827386 /nfs/dbraw/zinc/82/73/86/158827386.db2.gz CJNRKCVRJREJGO-SNVBAGLBSA-N -1 0 311.382 0.844 50 0 DCAARM CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000026189072 415164248 /nfs/dbraw/zinc/16/42/48/415164248.db2.gz KZGWYTUAURNDOR-KBPBESRZSA-N -1 0 304.346 0.809 50 0 DCAARM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCOCC3)nc(=O)c12 ZINC000009592702 415144487 /nfs/dbraw/zinc/14/44/87/415144487.db2.gz NYUMVODRHGCRAD-UHFFFAOYSA-N -1 0 309.347 0.823 50 0 DCAARM Cc1csc(NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)n1 ZINC000009340419 415146107 /nfs/dbraw/zinc/14/61/07/415146107.db2.gz PMQCPLJOGAVKKI-UHFFFAOYSA-N -1 0 304.335 0.672 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000269201733 415249393 /nfs/dbraw/zinc/24/93/93/415249393.db2.gz RKZHWVJQVPZQOJ-SECBINFHSA-N -1 0 306.347 0.935 50 0 DCAARM Cc1nonc1CN1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095382425 415557683 /nfs/dbraw/zinc/55/76/83/415557683.db2.gz VXQCARRQJPEDDN-SNVBAGLBSA-N -1 0 308.338 0.276 50 0 DCAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000095949205 415562367 /nfs/dbraw/zinc/56/23/67/415562367.db2.gz GCSRRHHONNPVLO-STQMWFEESA-N -1 0 308.378 0.958 50 0 DCAARM Cn1cccc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1=O ZINC000215377499 416326958 /nfs/dbraw/zinc/32/69/58/416326958.db2.gz JROPSEYMMYRYOG-LLVKDONJSA-N -1 0 314.345 0.488 50 0 DCAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000212095810 416327120 /nfs/dbraw/zinc/32/71/20/416327120.db2.gz MTNHVRVNPHORLA-CHWSQXEVSA-N -1 0 322.386 0.720 50 0 DCAARM O=C([O-])COc1ccc(CN2CCc3n[nH]c(CO)c3C2)cc1 ZINC000216181894 416327573 /nfs/dbraw/zinc/32/75/73/416327573.db2.gz XNXRZEAYEUVWID-UHFFFAOYSA-N -1 0 317.345 0.924 50 0 DCAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000237957663 416329237 /nfs/dbraw/zinc/32/92/37/416329237.db2.gz KOJBPXWZSIZMPO-CYBMUJFWSA-N -1 0 316.357 0.811 50 0 DCAARM CN(C)c1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000584037734 416496120 /nfs/dbraw/zinc/49/61/20/416496120.db2.gz KGSOQPDBKIQWJY-GFCCVEGCSA-N -1 0 314.363 0.227 50 0 DCAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000580431643 417701614 /nfs/dbraw/zinc/70/16/14/417701614.db2.gz VLYKRAXPWRXRLD-ZDUSSCGKSA-N -1 0 305.330 0.866 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(n3cnnn3)CCCCC2)C1 ZINC000652051151 417840258 /nfs/dbraw/zinc/84/02/58/417840258.db2.gz VYPFKYSVUYMJPE-LLVKDONJSA-N -1 0 307.354 0.656 50 0 DCAARM O=C([O-])Cn1cnc(NC(=O)c2cccc3c2OCCCO3)n1 ZINC000650291328 418302294 /nfs/dbraw/zinc/30/22/94/418302294.db2.gz OVNXKGNYQLZNLW-UHFFFAOYSA-N -1 0 318.289 0.776 50 0 DCAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000299743705 229382650 /nfs/dbraw/zinc/38/26/50/229382650.db2.gz OXKNLPFPHRLENM-SNVBAGLBSA-N -1 0 312.347 0.189 50 0 DCAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000299745470 229387575 /nfs/dbraw/zinc/38/75/75/229387575.db2.gz ZJIVNBZCNBWQQV-VXGBXAGGSA-N -1 0 317.345 0.363 50 0 DCAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc2nncn2c1 ZINC000299751473 229396351 /nfs/dbraw/zinc/39/63/51/229396351.db2.gz QPAQKYQWSSZLIS-LBPRGKRZSA-N -1 0 318.333 0.825 50 0 DCAARM NC(=O)COc1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000492187605 272117142 /nfs/dbraw/zinc/11/71/42/272117142.db2.gz MQIRSUZOQONHAR-UJZCVKTISA-N -1 0 318.329 0.640 50 0 DCAARM COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C[C@@H]2O ZINC000262668778 295184942 /nfs/dbraw/zinc/18/49/42/295184942.db2.gz WRMNERCDWPUNNJ-YWVKMMECSA-N -1 0 321.329 0.800 50 0 DCAARM COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)[nH]c1=O ZINC000003863585 295277587 /nfs/dbraw/zinc/27/75/87/295277587.db2.gz BIKJSVALRAWGNY-SECBINFHSA-N -1 0 320.257 0.046 50 0 biogenic DCAARM O=C([O-])[C@H]1CC(=O)NC12CCN(c1ncnc3c1CCC3)CC2 ZINC000092028474 332117819 /nfs/dbraw/zinc/11/78/19/332117819.db2.gz KIZNYQDYZOOYIV-LLVKDONJSA-N -1 0 316.361 0.525 50 0 DCAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nnnn1-c1ccccc1 ZINC000299750749 533715113 /nfs/dbraw/zinc/71/51/13/533715113.db2.gz OGMJPGYQNWTKOG-GDPRMGEGSA-N -1 0 301.306 0.560 50 0 DCAARM O=C([O-])CN(C(=O)c1ccc(N2CCNC2=O)cc1)C1CC1 ZINC000268939116 534498830 /nfs/dbraw/zinc/49/88/30/534498830.db2.gz ILVJHWQDSGYDGO-UHFFFAOYSA-N -1 0 303.318 0.905 50 0 DCAARM CC(C)N(CC(=O)[O-])S(=O)(=O)c1cc(Cl)cnc1N ZINC000262398597 545985468 /nfs/dbraw/zinc/98/54/68/545985468.db2.gz JRWDIXZPNFXVAR-UHFFFAOYSA-N -1 0 307.759 0.801 50 0 DCAARM CC(C)(C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)S(C)(=O)=O ZINC000262425186 545985575 /nfs/dbraw/zinc/98/55/75/545985575.db2.gz LNVWLEBEVCACRS-VIFPVBQESA-N -1 0 303.380 0.523 50 0 DCAARM CC(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)CC(C)C)CCO1 ZINC000681942425 548330093 /nfs/dbraw/zinc/33/00/93/548330093.db2.gz AHDGSXOTHHKJJI-GFCCVEGCSA-N -1 0 300.355 0.193 50 0 DCAARM Cc1noc([C@H]2COCCN2C(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000776365715 668875695 /nfs/dbraw/zinc/87/56/95/668875695.db2.gz MEUZVCAOHLYEJQ-LLVKDONJSA-N -1 0 318.289 0.685 50 0 DCAARM CC(=O)c1cnc(N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)nc1C ZINC001772709023 1157846184 /nfs/dbraw/zinc/84/61/84/1157846184.db2.gz MHSJRSRERPCVQC-ZETCQYMHSA-N -1 0 304.310 0.906 50 0 DCAARM O=C(Nc1nccc(Br)c1[O-])[C@H]1COCCO1 ZINC000585129019 748532453 /nfs/dbraw/zinc/53/24/53/748532453.db2.gz VCCOIEMULBYEDA-SSDOTTSWSA-N -1 0 303.112 0.904 50 0 DCAARM CO[C@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000824506897 758777812 /nfs/dbraw/zinc/77/78/12/758777812.db2.gz ZQXYNBRUTPYYIU-UWVGGRQHSA-N -1 0 301.320 0.077 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc[nH]c2)CCN(c2cnccn2)C1 ZINC000219624921 766273247 /nfs/dbraw/zinc/27/32/47/766273247.db2.gz KCDKJHLQTRFADJ-GFCCVEGCSA-N -1 0 315.333 0.468 50 0 DCAARM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@H]1c1nnn[n-]1 ZINC000585087438 766274142 /nfs/dbraw/zinc/27/41/42/766274142.db2.gz HLOBKZDCDUPUDS-VHSXEESVSA-N -1 0 322.369 0.873 50 0 DCAARM O=C([O-])c1ccc(F)c(CNS(=O)(=O)N2CCCC2)c1 ZINC000952876057 768937124 /nfs/dbraw/zinc/93/71/24/768937124.db2.gz AEZLSBDAZQSLSO-UHFFFAOYSA-N -1 0 302.327 0.954 50 0 DCAARM CCC(=O)N1CCC(C(=O)N[C@@H](CCSC)C(=O)[O-])CC1 ZINC000952866831 768956093 /nfs/dbraw/zinc/95/60/93/768956093.db2.gz FNMHJIDFHSDANN-NSHDSACASA-N -1 0 316.423 0.958 50 0 DCAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000071284641 190952966 /nfs/dbraw/zinc/95/29/66/190952966.db2.gz IDVWKUUHLDAKLU-NXEZZACHSA-N -1 0 312.347 0.629 50 0 DCAARM CCOC(=O)[C@@H](Sc1n[nH]c(=O)[n-]c1=O)c1ccccc1 ZINC000000116811 180698242 /nfs/dbraw/zinc/69/82/42/180698242.db2.gz UUZFYUQGEKHKRL-VIFPVBQESA-N -1 0 307.331 0.855 50 0 DCAARM Cc1cnc(N2CCC(C(=O)[O-])(n3cccn3)CC2)nc1N ZINC000072436065 191165544 /nfs/dbraw/zinc/16/55/44/191165544.db2.gz XOCZOUPDNBPUSL-UHFFFAOYSA-N -1 0 302.338 0.644 50 0 DCAARM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)C(=O)[O-] ZINC000141596252 299208185 /nfs/dbraw/zinc/20/81/85/299208185.db2.gz ZMZPNHAHOFFFMD-AAEUAGOBSA-N -1 0 304.346 0.809 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(Cl)ccc3C)c(=O)c1-2 ZINC000004553195 181123873 /nfs/dbraw/zinc/12/38/73/181123873.db2.gz ZOQPQDXPGPZXDV-VHSXEESVSA-N -1 0 321.720 0.639 50 0 DCAARM C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)[O-] ZINC000237377207 202248767 /nfs/dbraw/zinc/24/87/67/202248767.db2.gz PDFCIRQNAQSECB-SFYZADRCSA-N -1 0 312.272 0.907 50 0 DCAARM O=C([N-]S(=O)(=O)N1CCOCC1)c1c[nH]c2ccccc12 ZINC000006661336 181367301 /nfs/dbraw/zinc/36/73/01/181367301.db2.gz ZZFUQRKSTRBDCC-UHFFFAOYSA-N -1 0 309.347 0.475 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)CCN2CCCCC2=O)C[C@H]1C1CC1 ZINC000091754616 193102136 /nfs/dbraw/zinc/10/21/36/193102136.db2.gz RTNVMOCHOWHTGL-QWHCGFSZSA-N -1 0 308.378 0.958 50 0 DCAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000299745359 304152244 /nfs/dbraw/zinc/15/22/44/304152244.db2.gz YIIJYRJBMWXCKC-OLZOCXBDSA-N -1 0 323.370 0.459 50 0 DCAARM CC(C)[C@H](C(=O)N[C@@H](C)C(=O)[O-])n1nnc2ccccc2c1=O ZINC000008235979 181538390 /nfs/dbraw/zinc/53/83/90/181538390.db2.gz VVOFXJZMSNYBFE-JOYOIKCWSA-N -1 0 318.333 0.578 50 0 DCAARM CCN(C1CCN(C(=O)C2(C(=O)[O-])CC2)CC1)S(C)(=O)=O ZINC000262256398 284374166 /nfs/dbraw/zinc/37/41/66/284374166.db2.gz FBPCJAPHMMTTIK-UHFFFAOYSA-N -1 0 318.395 0.124 50 0 DCAARM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1O ZINC000019230485 182109178 /nfs/dbraw/zinc/10/91/78/182109178.db2.gz ZBGIIEOQXHIDKL-MRVPVSSYSA-N -1 0 301.320 0.548 50 0 DCAARM O=C([O-])C(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000020719958 182243882 /nfs/dbraw/zinc/24/38/82/182243882.db2.gz VKEKHYMRWXNTBW-UHFFFAOYSA-N -1 0 301.302 0.537 50 0 DCAARM O=C([O-])CCC(=O)NCCOc1cccc(-n2cnnn2)c1 ZINC000021176563 182268561 /nfs/dbraw/zinc/26/85/61/182268561.db2.gz SIWGQRWELAVVDQ-UHFFFAOYSA-N -1 0 305.294 0.022 50 0 DCAARM COC(=O)c1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000101675131 193834262 /nfs/dbraw/zinc/83/42/62/193834262.db2.gz FXDUNRNYHQWTKA-JTQLQIEISA-N -1 0 301.262 0.443 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(CC(=O)NC3CC3)cc2)C1 ZINC000065386743 184333997 /nfs/dbraw/zinc/33/39/97/184333997.db2.gz KFQLHHFELMCWMT-LLVKDONJSA-N -1 0 302.330 0.945 50 0 DCAARM O=C([O-])c1cccc(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000263273050 304258212 /nfs/dbraw/zinc/25/82/12/304258212.db2.gz MQFWXNHIQSEHEC-BONVTDFDSA-N -1 0 306.318 0.848 50 0 DCAARM CCn1cnnc1CN1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426717026 257243851 /nfs/dbraw/zinc/24/38/51/257243851.db2.gz TWDZYRRQGHFQRC-LBPRGKRZSA-N -1 0 318.381 0.959 50 0 DCAARM C[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)c1n[nH]c(CC(=O)[O-])n1 ZINC000426589885 257246049 /nfs/dbraw/zinc/24/60/49/257246049.db2.gz AQUGDJFAVCQSLO-ZCFIWIBFSA-N -1 0 304.310 0.523 50 0 DCAARM Cc1cc(N)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000426534530 257247577 /nfs/dbraw/zinc/24/75/77/257247577.db2.gz WOKWKWIGBRZUIK-LBPRGKRZSA-N -1 0 302.334 0.586 50 0 DCAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1onc2c1CCCC2 ZINC000426428271 257250144 /nfs/dbraw/zinc/25/01/44/257250144.db2.gz KCKUBPDLAQVXOF-VXGBXAGGSA-N -1 0 324.333 0.542 50 0 DCAARM CS(=O)(=O)NCCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000426358800 257253258 /nfs/dbraw/zinc/25/32/58/257253258.db2.gz AFRQOBMWVBKFSJ-UHFFFAOYSA-N -1 0 306.384 0.220 50 0 DCAARM O=C([N-][C@H]1CNC(=O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000012956063 395688295 /nfs/dbraw/zinc/68/82/95/395688295.db2.gz COZZDQJATFYRJY-ZETCQYMHSA-N -1 0 302.208 0.878 50 0 DCAARM CC(NCCO)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020289206 395691208 /nfs/dbraw/zinc/69/12/08/395691208.db2.gz RUUKGGBZCURXNO-FLIBITNWSA-N -1 0 323.736 0.779 50 0 DCAARM Cc1cc2nsnc2c(S(=O)(=O)NCC(=O)[O-])c1C ZINC000000063553 395679673 /nfs/dbraw/zinc/67/96/73/395679673.db2.gz ICPOYWRUPZYGHM-UHFFFAOYSA-N -1 0 301.349 0.671 50 0 DCAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000000085916 395679767 /nfs/dbraw/zinc/67/97/67/395679767.db2.gz YABYFIKZEZFGSH-UHFFFAOYSA-N -1 0 311.319 0.181 50 0 DCAARM CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)[O-])ccc12 ZINC000000489005 395680447 /nfs/dbraw/zinc/68/04/47/395680447.db2.gz FOJPDRITXTUUKH-UHFFFAOYSA-N -1 0 305.286 0.935 50 0 biogenic DCAARM COc1ccc2c(CC(=O)NCCC(=O)[O-])cc(=O)oc2c1 ZINC000000489953 395680466 /nfs/dbraw/zinc/68/04/66/395680466.db2.gz ZKRPJDHVBDGRMN-UHFFFAOYSA-N -1 0 305.286 0.935 50 0 biogenic DCAARM CC[C@H](C)[C@@H](C(=O)NCC(=O)[O-])n1nnc2ccccc2c1=O ZINC000002325935 395681375 /nfs/dbraw/zinc/68/13/75/395681375.db2.gz OIGBDNGJCXKHLN-ZANVPECISA-N -1 0 318.333 0.580 50 0 DCAARM CC(C)[C@H](NC(=O)Cn1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002356859 395681486 /nfs/dbraw/zinc/68/14/86/395681486.db2.gz CDCYAYXDNLEFRA-LBPRGKRZSA-N -1 0 304.306 0.017 50 0 DCAARM COC(=O)[C@]([N-]S(C)(=O)=O)(c1cccn1C)C(F)(F)F ZINC000002469698 395681499 /nfs/dbraw/zinc/68/14/99/395681499.db2.gz KYIKNGAEVVFHGI-SECBINFHSA-N -1 0 314.285 0.505 50 0 DCAARM CSC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006259730 395683008 /nfs/dbraw/zinc/68/30/08/395683008.db2.gz DRBLVXIFCQCLBJ-SECBINFHSA-N -1 0 320.348 0.689 50 0 DCAARM CCn1c(SCCC(=O)[O-])nc2c1n(C)c(=O)n(C)c2=O ZINC000033274164 395717046 /nfs/dbraw/zinc/71/70/46/395717046.db2.gz XWSSGDYXASVHIB-UHFFFAOYSA-N -1 0 312.351 0.020 50 0 DCAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000036908882 395724565 /nfs/dbraw/zinc/72/45/65/395724565.db2.gz BCRNFLCUEHHUEN-GFCCVEGCSA-N -1 0 311.359 0.478 50 0 DCAARM CCc1nnc(N2C[C@@H]3CN(C(C)=O)C[C@]3(C(=O)[O-])C2)s1 ZINC000096133783 395745704 /nfs/dbraw/zinc/74/57/04/395745704.db2.gz JZUMOYDDRFKQTE-ZANVPECISA-N -1 0 310.379 0.470 50 0 DCAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=S)NC1=O ZINC000100149939 395762838 /nfs/dbraw/zinc/76/28/38/395762838.db2.gz UFKNVXBWMBITCM-VUBLIPMDSA-N -1 0 300.343 0.914 50 0 DCAARM COC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000101020912 395763950 /nfs/dbraw/zinc/76/39/50/395763950.db2.gz PZCCVITWUIVBNF-MWLCHTKSSA-N -1 0 316.273 0.379 50 0 DCAARM CC(C)C[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000049549140 395832559 /nfs/dbraw/zinc/83/25/59/395832559.db2.gz MVCOXKYLMOQRCV-ZDUSSCGKSA-N -1 0 321.377 0.738 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)CCO1 ZINC000238131249 395922198 /nfs/dbraw/zinc/92/21/98/395922198.db2.gz NZCVZCYADNYDRP-CQSZACIVSA-N -1 0 315.329 0.857 50 0 DCAARM CCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCCNC(=O)C1)C2 ZINC000067674074 396031229 /nfs/dbraw/zinc/03/12/29/396031229.db2.gz SRXNWLPNQURBDH-JTQLQIEISA-N -1 0 306.366 0.280 50 0 DCAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccsc1 ZINC000252479636 396019961 /nfs/dbraw/zinc/01/99/61/396019961.db2.gz BJBATGZFRUTXQF-BDAKNGLRSA-N -1 0 319.404 0.934 50 0 DCAARM O=C([O-])C[C@@H]1COCCN1C(=O)CCn1cc(Cl)cn1 ZINC000072128234 396127001 /nfs/dbraw/zinc/12/70/01/396127001.db2.gz GIMPEGNVDCIVOR-SNVBAGLBSA-N -1 0 301.730 0.629 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000262444145 396140532 /nfs/dbraw/zinc/14/05/32/396140532.db2.gz GLLPZMUNKWXGNU-LLVKDONJSA-N -1 0 322.346 0.314 50 0 DCAARM O=C(c1ncccc1O)N1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299784838 396714150 /nfs/dbraw/zinc/71/41/50/396714150.db2.gz PFKYISXNDNCFRK-ZYHUDNBSSA-N -1 0 315.333 0.265 50 0 DCAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC000630247784 396969042 /nfs/dbraw/zinc/96/90/42/396969042.db2.gz BFGHPXADYMADTN-ABAIWWIYSA-N -1 0 312.366 0.193 50 0 DCAARM COCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000222721053 292181733 /nfs/dbraw/zinc/18/17/33/292181733.db2.gz LYZMVEHPIYHMFU-CHWSQXEVSA-N -1 0 309.318 0.684 50 0 DCAARM CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262971149 158850354 /nfs/dbraw/zinc/85/03/54/158850354.db2.gz RUWCKVUAGYRPGM-GMTAPVOTSA-N -1 0 318.395 0.028 50 0 DCAARM Cc1oc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1S(N)(=O)=O ZINC000269053218 415247935 /nfs/dbraw/zinc/24/79/35/415247935.db2.gz WFPURLKTWZYKKV-GFCCVEGCSA-N -1 0 316.335 0.172 50 0 DCAARM NC(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000314161298 416110441 /nfs/dbraw/zinc/11/04/41/416110441.db2.gz ALMSGJLGCOFNAM-GFCCVEGCSA-N -1 0 305.334 0.663 50 0 DCAARM O=C(c1ncccc1O)N1CCCO[C@H](Cn2cccn2)C1 ZINC000215107538 416327129 /nfs/dbraw/zinc/32/71/29/416327129.db2.gz RPHJKXMGCPFOIB-LBPRGKRZSA-N -1 0 302.334 0.915 50 0 DCAARM Cc1cccc(C[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C(=O)[O-])c1 ZINC000237148342 416328217 /nfs/dbraw/zinc/32/82/17/416328217.db2.gz QMKLDSWKHNKLSU-KBPBESRZSA-N -1 0 318.373 0.833 50 0 DCAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000238069163 416329803 /nfs/dbraw/zinc/32/98/03/416329803.db2.gz WFSQAPIBNIRDML-LBPRGKRZSA-N -1 0 301.306 0.280 50 0 DCAARM O=C([O-])CN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 ZINC000238080321 416329854 /nfs/dbraw/zinc/32/98/54/416329854.db2.gz SHTNUZONRPDNLM-JTQLQIEISA-N -1 0 306.318 0.704 50 0 DCAARM O=C([O-])[C@H](Cc1ccncc1)NS(=O)(=O)C[C@H]1CCCO1 ZINC000653496688 418083145 /nfs/dbraw/zinc/08/31/45/418083145.db2.gz DGXYHTMVGRJHHC-NEPJUHHUSA-N -1 0 314.363 0.176 50 0 DCAARM CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000492232235 287573425 /nfs/dbraw/zinc/57/34/25/287573425.db2.gz PBLYXKQXCALJEY-LLPBQKLSSA-N -1 0 302.330 0.993 50 0 DCAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)C1 ZINC000299745468 229386023 /nfs/dbraw/zinc/38/60/23/229386023.db2.gz ZJIVNBZCNBWQQV-NWDGAFQWSA-N -1 0 317.345 0.363 50 0 DCAARM O=C([O-])c1ccc(CNC(=O)CCCN2C(=O)CNC2=O)cc1 ZINC000299747816 229392012 /nfs/dbraw/zinc/39/20/12/229392012.db2.gz FDZBDFNVIWECNF-UHFFFAOYSA-N -1 0 319.317 0.333 50 0 DCAARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299753297 229398001 /nfs/dbraw/zinc/39/80/01/229398001.db2.gz XSOZDFVVUBCTDE-GXFFZTMASA-N -1 0 304.302 0.638 50 0 DCAARM CN1N=C(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCC1=O ZINC000261952182 290314292 /nfs/dbraw/zinc/31/42/92/290314292.db2.gz NFZTYIAQWTUZRZ-NSHDSACASA-N -1 0 321.255 0.460 50 0 DCAARM Cc1nc2[n-]c(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nn2c(=O)c1C ZINC000101411645 300893466 /nfs/dbraw/zinc/89/34/66/300893466.db2.gz BAYXKHVUNLXCOL-NXEZZACHSA-N -1 0 313.317 0.490 50 0 DCAARM Cc1noc(C)c1S(=O)(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000072148601 302843102 /nfs/dbraw/zinc/84/31/02/302843102.db2.gz ZNJHFOHMIICPKZ-SECBINFHSA-N -1 0 304.324 0.156 50 0 DCAARM Cn1cc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000106064412 302919248 /nfs/dbraw/zinc/91/92/48/302919248.db2.gz DGFOHDWRHIYFNI-DLOVCJGASA-N -1 0 313.379 0.827 50 0 DCAARM Cn1nnc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)n1 ZINC000426649729 303104648 /nfs/dbraw/zinc/10/46/48/303104648.db2.gz QPPJRDZATLOLAN-LBPRGKRZSA-N -1 0 315.333 0.956 50 0 DCAARM COc1ccccc1C(=O)N1CCC(O)(c2nnn[n-]2)CC1 ZINC000521394091 332201104 /nfs/dbraw/zinc/20/11/04/332201104.db2.gz JQSIABSNHLFRPO-UHFFFAOYSA-N -1 0 303.322 0.332 50 0 DCAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@@H]2COCCO2)c1 ZINC000534592831 334294881 /nfs/dbraw/zinc/29/48/81/334294881.db2.gz SZSKBIANQHRWSS-CYBMUJFWSA-N -1 0 309.318 0.881 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CCO1 ZINC000262459632 534503691 /nfs/dbraw/zinc/50/36/91/534503691.db2.gz VFMSYQMBVWOMIW-PWSUYJOCSA-N -1 0 318.329 0.815 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299749223 534539373 /nfs/dbraw/zinc/53/93/73/534539373.db2.gz JMTVSAWXADATBF-GFCCVEGCSA-N -1 0 320.280 0.332 50 0 DCAARM Cc1noc(-c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)n1 ZINC000408513442 534875198 /nfs/dbraw/zinc/87/51/98/534875198.db2.gz HNUUKZYISIMEDU-LBPRGKRZSA-N -1 0 317.301 0.971 50 0 DCAARM Cn1c(=O)[nH]cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1=O ZINC000262140715 545979644 /nfs/dbraw/zinc/97/96/44/545979644.db2.gz AFSKQGSVLBBNTH-VIFPVBQESA-N -1 0 309.322 0.203 50 0 DCAARM CN1N=C(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CCC1=O ZINC000320341314 546032912 /nfs/dbraw/zinc/03/29/12/546032912.db2.gz OIHUFJARKXTWCC-LBPRGKRZSA-N -1 0 319.317 0.112 50 0 DCAARM CCCc1ccc(S(=O)(=O)[N-]c2nn[nH]c2C(=O)NC)cc1 ZINC000874434383 665175259 /nfs/dbraw/zinc/17/52/59/665175259.db2.gz MULJTGBFQJQFEK-UHFFFAOYSA-N -1 0 323.378 0.918 50 0 DCAARM Cc1cc(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c(F)cc1F ZINC000864092283 667214486 /nfs/dbraw/zinc/21/44/86/667214486.db2.gz OJFPLDYGFYAKAU-SSDOTTSWSA-N -1 0 309.290 0.387 50 0 DCAARM N=c1nn[n-]n1CC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000952973418 685600395 /nfs/dbraw/zinc/60/03/95/685600395.db2.gz XNZVEYBKDOPESX-UHFFFAOYSA-N -1 0 302.294 0.501 50 0 DCAARM CCCc1cc(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@H]2C)[nH]n1 ZINC000055576481 685062550 /nfs/dbraw/zinc/06/25/50/685062550.db2.gz FLIAEKCMBVTBJM-SECBINFHSA-N -1 0 308.338 0.120 50 0 DCAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1O ZINC001704325467 1179974087 /nfs/dbraw/zinc/97/40/87/1179974087.db2.gz MEPFIZAVDZJNBM-WDEREUQCSA-N -1 0 303.311 0.282 50 0 DCAARM CCCN1C[C@@H](NC(=O)c2cc(O)cc(C(=O)[O-])c2)CC1=O ZINC000822919118 758214295 /nfs/dbraw/zinc/21/42/95/758214295.db2.gz FDARGZVOPCOUSU-NSHDSACASA-N -1 0 306.318 0.831 50 0 DCAARM CCn1[n-]nnc1=NC(=O)N[C@H](CCCO)c1ccccc1 ZINC000585119514 766287684 /nfs/dbraw/zinc/28/76/84/766287684.db2.gz JLUKIDBLOQFJGU-GFCCVEGCSA-N -1 0 304.354 0.750 50 0 DCAARM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCN(C(=O)OCC(F)(F)F)C2)C1 ZINC000952876108 768938261 /nfs/dbraw/zinc/93/82/61/768938261.db2.gz YOVRIQHIELLTAH-HTQZYQBOSA-N -1 0 324.255 0.693 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)c1cncc(Br)c1 ZINC000088374185 185247619 /nfs/dbraw/zinc/24/76/19/185247619.db2.gz UFRBOUMFTYHHHO-SECBINFHSA-N -1 0 315.123 0.770 50 0 DCAARM C[C@H](c1ccccc1)n1nnnc1N1CCC(O)(C(=O)[O-])CC1 ZINC000071712205 191011559 /nfs/dbraw/zinc/01/15/59/191011559.db2.gz MIJGQZVZLDGSKI-LLVKDONJSA-N -1 0 317.349 0.698 50 0 DCAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 ZINC000004050507 181066908 /nfs/dbraw/zinc/06/69/08/181066908.db2.gz OHCJVAIZNSEZTF-AWEZNQCLSA-N -1 0 322.386 0.894 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000004380644 181104489 /nfs/dbraw/zinc/10/44/89/181104489.db2.gz LPBXLYYIGKHSND-MNOVXSKESA-N -1 0 317.301 0.076 50 0 DCAARM O=C([O-])Cn1nnnc1Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000004770374 181149504 /nfs/dbraw/zinc/14/95/04/181149504.db2.gz LVAYEPXKGWFRSW-UHFFFAOYSA-N -1 0 320.700 0.113 50 0 DCAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CN1CSCC1=O ZINC000299742290 304052320 /nfs/dbraw/zinc/05/23/20/304052320.db2.gz AYYDSDUWSWTPGL-SNVBAGLBSA-N -1 0 316.379 0.002 50 0 DCAARM C[C@@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000005807333 181285843 /nfs/dbraw/zinc/28/58/43/181285843.db2.gz QGWSYLMGCZTPBR-SECBINFHSA-N -1 0 319.317 0.059 50 0 DCAARM Cc1cc(C)n2nc(CC(=O)N3CC[C@@](C)(C(=O)[O-])C3)nc2n1 ZINC000237714500 202336601 /nfs/dbraw/zinc/33/66/01/202336601.db2.gz PAXUVVUBAHUHCT-OAHLLOKOSA-N -1 0 317.349 0.607 50 0 DCAARM Cc1cccc(-n2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])nn2)c1 ZINC000268972999 238254077 /nfs/dbraw/zinc/25/40/77/238254077.db2.gz HWSNLPDUMLMQER-CYBMUJFWSA-N -1 0 316.317 0.501 50 0 DCAARM CCN(CC)S(=O)(=O)N1CCC[C@](CCOC)(C(=O)[O-])C1 ZINC000091304073 193037006 /nfs/dbraw/zinc/03/70/06/193037006.db2.gz RGXBWRTYFMMPEA-CYBMUJFWSA-N -1 0 322.427 0.776 50 0 DCAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccccn1)CC2 ZINC000095387499 193442692 /nfs/dbraw/zinc/44/26/92/193442692.db2.gz AZHGZXIWPVSGBZ-NSHDSACASA-N -1 0 317.345 0.619 50 0 DCAARM CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000020557824 182231349 /nfs/dbraw/zinc/23/13/49/182231349.db2.gz NQBRKHHSCUAJBE-NSHDSACASA-N -1 0 315.347 0.801 50 0 DCAARM Cc1c(CC(=O)NCC(=O)[O-])c(=O)oc2cc(O)cc(O)c12 ZINC000020610273 182238346 /nfs/dbraw/zinc/23/83/46/182238346.db2.gz DFOXPFQTVADXSY-UHFFFAOYSA-N -1 0 307.258 0.256 50 0 biogenic DCAARM O=C([O-])c1cnc(C(=O)Nc2nc3c(s2)COCC3)cn1 ZINC000572841296 291592753 /nfs/dbraw/zinc/59/27/53/291592753.db2.gz NEZJVRUVBSCHJF-UHFFFAOYSA-N -1 0 306.303 0.956 50 0 DCAARM COCCN1C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1=O ZINC000033449895 182711732 /nfs/dbraw/zinc/71/17/32/182711732.db2.gz HFAOQWIGEVTKAR-QWRGUYRKSA-N -1 0 300.355 0.097 50 0 DCAARM O=C([O-])CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000035126686 182755354 /nfs/dbraw/zinc/75/53/54/182755354.db2.gz JUCLVRYWQITOSK-UHFFFAOYSA-N -1 0 324.811 0.792 50 0 DCAARM CC(=O)N1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000037326340 182882731 /nfs/dbraw/zinc/88/27/31/182882731.db2.gz LBXRQIHVKWDKNA-UHFFFAOYSA-N -1 0 318.376 0.299 50 0 DCAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000299752232 304204114 /nfs/dbraw/zinc/20/41/14/304204114.db2.gz SYFUEPRPSWHEJU-OLZOCXBDSA-N -1 0 308.378 0.958 50 0 DCAARM CCCn1nc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)ccc1=O ZINC000043509231 183367997 /nfs/dbraw/zinc/36/79/97/183367997.db2.gz UICCENPHFNLYHC-ZDUSSCGKSA-N -1 0 311.363 0.343 50 0 DCAARM CNC(=O)c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000062132600 184207673 /nfs/dbraw/zinc/20/76/73/184207673.db2.gz LSTPORBIXUOFRF-JTQLQIEISA-N -1 0 312.347 0.141 50 0 DCAARM CNC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000062132601 184207722 /nfs/dbraw/zinc/20/77/22/184207722.db2.gz LSTPORBIXUOFRF-SNVBAGLBSA-N -1 0 312.347 0.141 50 0 DCAARM O=C([O-])c1cccc(NC(=S)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000004124033 304263743 /nfs/dbraw/zinc/26/37/43/304263743.db2.gz BJGHXGCBWSTMNK-JTQLQIEISA-N -1 0 314.388 0.858 50 0 DCAARM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCCCc1nnn[n-]1 ZINC000426428965 257249929 /nfs/dbraw/zinc/24/99/29/257249929.db2.gz MYSNKFNKFOTOJV-UHFFFAOYSA-N -1 0 320.401 0.995 50 0 DCAARM O=C([O-])CNC(=O)CNC(=O)Cn1ccc2cc(Cl)ccc21 ZINC000071281865 257270281 /nfs/dbraw/zinc/27/02/81/257270281.db2.gz PIHYJHFEPBOJNY-UHFFFAOYSA-N -1 0 323.736 0.612 50 0 DCAARM O=C([O-])CCc1nn2c3ccccc3n(CCO)c2nc1=O ZINC000000969234 395680625 /nfs/dbraw/zinc/68/06/25/395680625.db2.gz OJSPXOBVMMMYRO-UHFFFAOYSA-N -1 0 302.290 0.054 50 0 DCAARM CC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000002607000 395681712 /nfs/dbraw/zinc/68/17/12/395681712.db2.gz RDHLYVUVIJMUEM-UHFFFAOYSA-N -1 0 320.330 0.392 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000100050359 395762447 /nfs/dbraw/zinc/76/24/47/395762447.db2.gz GUTVTRKIDBAZQV-QWRGUYRKSA-N -1 0 301.302 0.294 50 0 DCAARM COC(=O)c1[n-][nH]c2c(O)n(-c3cc(C)ccc3C)c(=O)c1-2 ZINC000100050363 395762471 /nfs/dbraw/zinc/76/24/71/395762471.db2.gz GUTVTRKIDBAZQV-WDEREUQCSA-N -1 0 301.302 0.294 50 0 DCAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc(C)c3C)c(=O)c1-2 ZINC000100544182 395763223 /nfs/dbraw/zinc/76/32/23/395763223.db2.gz NSDBTGQATAHIJG-NWDGAFQWSA-N -1 0 315.329 0.684 50 0 DCAARM Cc1nc(C(=O)[N-]S(C)(=O)=O)nn1-c1ccccc1Cl ZINC000049501130 395832522 /nfs/dbraw/zinc/83/25/22/395832522.db2.gz FXJUEPYDSREGMX-UHFFFAOYSA-N -1 0 314.754 0.919 50 0 DCAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000223611776 395855793 /nfs/dbraw/zinc/85/57/93/395855793.db2.gz DUJHJIQPRHPLCQ-LLVKDONJSA-N -1 0 314.363 0.563 50 0 DCAARM C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])S(C)(=O)=O ZINC000135176795 395937957 /nfs/dbraw/zinc/93/79/57/395937957.db2.gz OJXRRDTVTDXRMX-JOYOIKCWSA-N -1 0 311.359 0.458 50 0 DCAARM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000261766796 396063549 /nfs/dbraw/zinc/06/35/49/396063549.db2.gz QIGRTSHDCPRYII-ZWNOBZJWSA-N -1 0 321.329 0.965 50 0 DCAARM NC(=O)c1ccc(OCCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000261830133 396070494 /nfs/dbraw/zinc/07/04/94/396070494.db2.gz AHOQARATUSMWST-LBPRGKRZSA-N -1 0 306.318 0.630 50 0 DCAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 ZINC000262027929 396091495 /nfs/dbraw/zinc/09/14/95/396091495.db2.gz YKYYPDUAWBTIQL-JQWIXIFHSA-N -1 0 310.350 0.090 50 0 DCAARM COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000169785289 396092492 /nfs/dbraw/zinc/09/24/92/396092492.db2.gz CMDUQKUZTVKZMB-JTQLQIEISA-N -1 0 323.378 0.777 50 0 DCAARM O=C(OCCN1C(=O)CNC1=O)c1cc(F)c([O-])c(Cl)c1 ZINC000170616569 396096284 /nfs/dbraw/zinc/09/62/84/396096284.db2.gz LLNNKISHXCLNHW-UHFFFAOYSA-N -1 0 316.672 0.893 50 0 DCAARM Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])C2=O)cc1 ZINC000262453255 396141953 /nfs/dbraw/zinc/14/19/53/396141953.db2.gz WUCMYCXUTIUOCB-AGIUHOORSA-N -1 0 302.330 0.937 50 0 DCAARM CC[C@@H](C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)C(=O)[O-] ZINC000071333646 396112575 /nfs/dbraw/zinc/11/25/75/396112575.db2.gz MFIRDZWODIBWLA-MEBBXXQBSA-N -1 0 321.377 0.738 50 0 DCAARM Cn1ccnc1[C@H]1[C@@H](C(=O)[O-])CC(=O)N1CCCn1cccn1 ZINC000072275742 396128961 /nfs/dbraw/zinc/12/89/61/396128961.db2.gz ZZRASOBNFDRGSJ-WCQYABFASA-N -1 0 317.349 0.681 50 0 DCAARM COc1cc(C#N)ccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262434977 396139901 /nfs/dbraw/zinc/13/99/01/396139901.db2.gz SSDSHAVJOROQQF-ZDUSSCGKSA-N -1 0 320.301 0.258 50 0 DCAARM CN(CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)S(C)(=O)=O ZINC000262833396 396186200 /nfs/dbraw/zinc/18/62/00/396186200.db2.gz RXVLTNRYHHPONY-SNVBAGLBSA-N -1 0 312.347 0.093 50 0 DCAARM Cc1ccc2ncc(C(=O)N3CC[C@H](C(=O)[O-])C3)c(=O)n2c1 ZINC000178265317 396191981 /nfs/dbraw/zinc/19/19/81/396191981.db2.gz KGWXNAJZGRGKBJ-JTQLQIEISA-N -1 0 301.302 0.550 50 0 DCAARM COCCOc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262943028 396193141 /nfs/dbraw/zinc/19/31/41/396193141.db2.gz HXZAAQPQHKSBGO-CYBMUJFWSA-N -1 0 309.318 0.637 50 0 DCAARM CC(=O)N1CCc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc21 ZINC000262933804 396193212 /nfs/dbraw/zinc/19/32/12/396193212.db2.gz GTAHPKZGXMACTG-CQSZACIVSA-N -1 0 318.329 0.521 50 0 DCAARM O=C([O-])[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCO1 ZINC000262969514 396195498 /nfs/dbraw/zinc/19/54/98/396195498.db2.gz LKWKHQBQWYVGBT-GFCCVEGCSA-N -1 0 306.318 0.592 50 0 DCAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000263958779 396245856 /nfs/dbraw/zinc/24/58/56/396245856.db2.gz JDPUBRCXVVGNGG-LLVKDONJSA-N -1 0 301.306 0.599 50 0 DCAARM Cc1cc(-n2c(C)cc(C(=O)NCc3n[nH]c(=O)[n-]3)c2C)no1 ZINC000079016000 396259886 /nfs/dbraw/zinc/25/98/86/396259886.db2.gz SMFCLYLIMKJJLE-UHFFFAOYSA-N -1 0 316.321 0.732 50 0 DCAARM CCO[N-]C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000053720003 286184224 /nfs/dbraw/zinc/18/42/24/286184224.db2.gz QXARSILRTWKHNL-HNNXBMFYSA-N -1 0 303.318 0.448 50 0 DCAARM O=C([O-])c1coc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000262416079 158811315 /nfs/dbraw/zinc/81/13/15/158811315.db2.gz ZCNFWBLIAVHULJ-SNVBAGLBSA-N -1 0 313.331 0.770 50 0 DCAARM CC(=O)Nc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000262991347 158851517 /nfs/dbraw/zinc/85/15/17/158851517.db2.gz OLEGFLORTYYYIG-LBPRGKRZSA-N -1 0 310.281 0.710 50 0 DCAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)S(C)(=O)=O ZINC000262981901 158851636 /nfs/dbraw/zinc/85/16/36/158851636.db2.gz NDKNEWABEYRBDD-VIFPVBQESA-N -1 0 315.347 0.830 50 0 DCAARM C[C@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000269174652 415249162 /nfs/dbraw/zinc/24/91/62/415249162.db2.gz JAOXJDALUZVXST-GHMZBOCLSA-N -1 0 318.329 0.734 50 0 DCAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 ZINC000269039201 415249407 /nfs/dbraw/zinc/24/94/07/415249407.db2.gz PTGFPZOKFGUMLF-SNVBAGLBSA-N -1 0 307.302 0.774 50 0 DCAARM Cn1c([O-])c(C2=NN[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000101763750 415596249 /nfs/dbraw/zinc/59/62/49/415596249.db2.gz OYWDGBONZIZBIX-SECBINFHSA-N -1 0 304.281 0.357 50 0 DCAARM O=C(Nc1nnn[n-]1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000118685629 415737337 /nfs/dbraw/zinc/73/73/37/415737337.db2.gz SSPAQDPAFPEUBQ-UHFFFAOYSA-N -1 0 317.284 0.456 50 0 DCAARM CC(=O)N1CSC[C@H]1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000331106999 416265136 /nfs/dbraw/zinc/26/51/36/416265136.db2.gz GVBCGTODJXRHOL-QWRGUYRKSA-N -1 0 302.396 0.771 50 0 DCAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1cccn1C ZINC000262554959 416336918 /nfs/dbraw/zinc/33/69/18/416336918.db2.gz WCRPNCSXIQGUNF-UHFFFAOYSA-N -1 0 307.350 0.420 50 0 DCAARM O=C(C[C@H]1NC(=O)NC1=O)NCc1coc(-c2ccccc2)n1 ZINC000215232657 416327089 /nfs/dbraw/zinc/32/70/89/416327089.db2.gz OAQHPNKNMCVWAQ-LLVKDONJSA-N -1 0 314.301 0.556 50 0 DCAARM COCCN(CC(=O)[O-])C(=O)Cc1cccc(NC(C)=O)c1 ZINC000424223602 416628744 /nfs/dbraw/zinc/62/87/44/416628744.db2.gz IEPPJLNFKJSSKE-UHFFFAOYSA-N -1 0 308.334 0.747 50 0 DCAARM CSCC[C@@H](NC(=O)Cc1sc(N)nc1C)C(=O)[O-] ZINC000426618065 416779338 /nfs/dbraw/zinc/77/93/38/416779338.db2.gz DOBUNCHGLZKOLQ-SSDOTTSWSA-N -1 0 303.409 0.899 50 0 DCAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000316796600 261175302 /nfs/dbraw/zinc/17/53/02/261175302.db2.gz RPLIVBOKEQVUDR-CJHWANRJSA-N -1 0 305.286 0.741 50 0 DCAARM CC(C)C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)o1)C(=O)[O-] ZINC000424239835 262486833 /nfs/dbraw/zinc/48/68/33/262486833.db2.gz GAFZNYOLYPXLEE-QMMMGPOBSA-N -1 0 318.351 0.404 50 0 DCAARM CCn1ncnc1[C@@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065381156 288769684 /nfs/dbraw/zinc/76/96/84/288769684.db2.gz LPAILPBWYPQQDY-MRVPVSSYSA-N -1 0 304.310 0.362 50 0 DCAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)CCO1 ZINC000565289791 288840922 /nfs/dbraw/zinc/84/09/22/288840922.db2.gz KKHJYYGYZVIQMM-VIFPVBQESA-N -1 0 323.729 0.953 50 0 DCAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)NCCC1=CCCCC1 ZINC000071405391 337366831 /nfs/dbraw/zinc/36/68/31/337366831.db2.gz BCXFLCSOZTUWTM-UHFFFAOYSA-N -1 0 310.379 0.969 50 0 DCAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000268950087 534540117 /nfs/dbraw/zinc/54/01/17/534540117.db2.gz PNCREGIOIQCXPY-QWRGUYRKSA-N -1 0 318.329 0.639 50 0 DCAARM CC1(C)NC(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000299745435 527785949 /nfs/dbraw/zinc/78/59/49/527785949.db2.gz ZBIQMSLJFNNZQS-LLVKDONJSA-N -1 0 319.317 0.259 50 0 DCAARM Cn1nc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c2ccccc21 ZINC000263242559 545986593 /nfs/dbraw/zinc/98/65/93/545986593.db2.gz RTVSFTVOKNZKGJ-NSHDSACASA-N -1 0 317.345 0.818 50 0 DCAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCOCC(C)C)C1 ZINC000685940626 548747001 /nfs/dbraw/zinc/74/70/01/548747001.db2.gz DUEAHUYVECAJGN-RYUDHWBXSA-N -1 0 314.382 0.487 50 0 DCAARM Cc1nc(C)c(C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])s1 ZINC000206322146 661790737 /nfs/dbraw/zinc/79/07/37/661790737.db2.gz YAMKNFSZLXCIML-QMMMGPOBSA-N -1 0 314.367 0.391 50 0 DCAARM CC[C@@](CNC(=O)[C@H]1COCCO1)(C(=O)[O-])c1ccccc1 ZINC000263104711 662632967 /nfs/dbraw/zinc/63/29/67/662632967.db2.gz WSLNVNILQKUUGL-CJNGLKHVSA-N -1 0 307.346 0.951 50 0 DCAARM Cc1cc(Cl)ccc1OCCN(C)C(=O)Cn1[n-]nnc1=N ZINC000952981479 685600863 /nfs/dbraw/zinc/60/08/63/685600863.db2.gz ZQVANJYWLNLJSQ-UHFFFAOYSA-N -1 0 324.772 0.585 50 0 DCAARM C[C@H](Nc1ncc(F)c(N(C)C)n1)c1n[nH]c(CC(=O)[O-])n1 ZINC001772708807 1157846713 /nfs/dbraw/zinc/84/67/13/1157846713.db2.gz FMABDAZURMZZOS-LURJTMIESA-N -1 0 309.305 0.600 50 0 DCAARM