smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(Cc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)o2)c(C)c1Br ZINC000000659526 193875834 /nfs/dbraw/zinc/87/58/34/193875834.db2.gz FSXHLIWKWPHTNC-UHFFFAOYSA-N -1 0 432.274 4.163 50 0 IIAARM C[C@H](Sc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1)C(=O)[O-] ZINC000006177229 193888444 /nfs/dbraw/zinc/88/84/44/193888444.db2.gz ASRPKFJGRKZRRZ-LBPRGKRZSA-N -1 0 434.315 4.174 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1 ZINC000001158591 132237857 /nfs/dbraw/zinc/23/78/57/132237857.db2.gz BOKPCMPHEOIMDY-UHFFFAOYSA-N -1 0 430.533 4.302 50 0 aggregator IIAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C(=O)[O-])c2)cc1 ZINC000002987257 132260239 /nfs/dbraw/zinc/26/02/39/132260239.db2.gz WLUXZVBXTFFNLB-DEOSSOPVSA-N -1 0 433.460 4.089 50 0 IIAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397442 519046471 /nfs/dbraw/zinc/04/64/71/519046471.db2.gz YNJYRIZPZFYKSG-UHFFFAOYSA-N -1 0 431.558 4.259 50 0 IIAARM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000012381692 519050403 /nfs/dbraw/zinc/05/04/03/519050403.db2.gz TZBXUEJPCZJCPS-ZRGWGRIASA-N -1 0 426.460 4.150 50 0 IIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000012556999 519727015 /nfs/dbraw/zinc/72/70/15/519727015.db2.gz ZPNJWLSFYJYXQN-UHFFFAOYSA-N -1 0 437.237 4.227 50 0 IIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000022903100 520340411 /nfs/dbraw/zinc/34/04/11/520340411.db2.gz ZAPHPLUJUYBLAM-UHFFFAOYSA-N -1 0 427.400 4.401 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@@H](C)C3)[C@@H](C(=O)[O-])C1 ZINC000017097104 520840691 /nfs/dbraw/zinc/84/06/91/520840691.db2.gz RQOCKONQWNUXKZ-NVGVWMPQSA-N -1 0 430.570 4.151 50 0 IIAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccccc2)[n-]c1=O ZINC000035378002 521228300 /nfs/dbraw/zinc/22/83/00/521228300.db2.gz OAHZANLPRHASEY-QGZVFWFLSA-N -1 0 437.525 4.102 50 0 IIAARM CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854480 522535418 /nfs/dbraw/zinc/53/54/18/522535418.db2.gz KKHUNRVAFHRXJR-MRXNPFEDSA-N -1 0 440.400 4.093 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C3CC3)n2)sc1C ZINC000035539445 524245796 /nfs/dbraw/zinc/24/57/96/524245796.db2.gz LTBZMRVACROFJI-UHFFFAOYSA-N -1 0 425.919 4.447 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SC[C@@H]3CCCCO3)nc2c1 ZINC000022132619 524645894 /nfs/dbraw/zinc/64/58/94/524645894.db2.gz FHJDSUZGKLZGPS-AWEZNQCLSA-N -1 0 434.539 4.298 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCc3cccnc3)nc2c1 ZINC000012526349 524646289 /nfs/dbraw/zinc/64/62/89/524646289.db2.gz XCEQXXGOCASTGS-UHFFFAOYSA-N -1 0 427.507 4.325 50 0 IIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(C)n1C ZINC000021154515 525572790 /nfs/dbraw/zinc/57/27/90/525572790.db2.gz FOSQGZCDJXSINE-UHFFFAOYSA-N -1 0 443.613 4.338 50 0 IIAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(=O)n21 ZINC000021883996 526220067 /nfs/dbraw/zinc/22/00/67/526220067.db2.gz VCCFDUGAZZDILG-UHFFFAOYSA-N -1 0 437.905 4.119 50 0 IIAARM O=C(NCc1ccccc1)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361384 526734639 /nfs/dbraw/zinc/73/46/39/526734639.db2.gz GFNPSYQITIRIFP-UHFFFAOYSA-N -1 0 438.534 4.419 50 0 IIAARM O=C(COc1ccccc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000021883104 526985254 /nfs/dbraw/zinc/98/52/54/526985254.db2.gz SQEWQGPOSNDYJE-UHFFFAOYSA-N -1 0 439.518 4.115 50 0 IIAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012548432 527530867 /nfs/dbraw/zinc/53/08/67/527530867.db2.gz ODYFHRCHCNFAGZ-UHFFFAOYSA-N -1 0 448.879 4.439 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000020533999 527560049 /nfs/dbraw/zinc/56/00/49/527560049.db2.gz LKOYZLIGMJJMQB-UDXLVXBTSA-N -1 0 445.474 4.475 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000000682214 555538019 /nfs/dbraw/zinc/53/80/19/555538019.db2.gz PCYQQCVCZBCZPN-UHFFFAOYSA-N -1 0 432.505 4.300 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000000898286 555580580 /nfs/dbraw/zinc/58/05/80/555580580.db2.gz MYEHWOBSUYUCGU-UHFFFAOYSA-N -1 0 437.308 4.145 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)s1 ZINC000000953387 555589780 /nfs/dbraw/zinc/58/97/80/555589780.db2.gz RHKSTTQPBVJHTC-KPKJPENVSA-N -1 0 448.957 4.207 50 0 IIAARM CC(=O)[N-]S(=O)(=O)c1ccc(/N=c2\ssc3c2-c2ccccc2NC3(C)C)cc1 ZINC000002270283 555764077 /nfs/dbraw/zinc/76/40/77/555764077.db2.gz YYDLGLZVZGLEBV-VZCXRCSSSA-N -1 0 445.591 4.194 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3nsnc3c2)cc1 ZINC000002267166 555764098 /nfs/dbraw/zinc/76/40/98/555764098.db2.gz MQMKRQLTIWPEDM-UHFFFAOYSA-N -1 0 448.533 4.487 50 0 in-vitro IIAARM O=C([O-])[C@H](Cc1c[nH]c2ncccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583079 555788558 /nfs/dbraw/zinc/78/85/58/555788558.db2.gz SEWQKWXKJVYKOO-QFIPXVFZSA-N -1 0 427.460 4.097 50 0 IIAARM O=C([O-])c1cc(NC(=O)COc2ccc3ccccc3c2)ccc1I ZINC000002836802 555833472 /nfs/dbraw/zinc/83/34/72/555833472.db2.gz VITLCPUDCRRLFK-UHFFFAOYSA-N -1 0 447.228 4.160 50 0 IIAARM O=C([O-])CCC(=O)N(Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccccc1 ZINC000002657841 556118101 /nfs/dbraw/zinc/11/81/01/556118101.db2.gz RPFQGZDWMYFEFS-UHFFFAOYSA-N -1 0 440.503 4.328 50 0 IIAARM O=S(=O)([N-]c1cnn(COc2ccc(Br)cc2)c1)c1ccc(Cl)cc1 ZINC000002803678 556142725 /nfs/dbraw/zinc/14/27/25/556142725.db2.gz BTCCJEOSSKVVAA-UHFFFAOYSA-N -1 0 442.722 4.136 50 0 IIAARM Cc1ccc(CNC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000002973748 556152507 /nfs/dbraw/zinc/15/25/07/556152507.db2.gz YRACBYMHWLWKAB-UHFFFAOYSA-N -1 0 446.370 4.227 50 0 IIAARM COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000008432385 556171897 /nfs/dbraw/zinc/17/18/97/556171897.db2.gz VUPKWDIIYDMNQQ-SFHVURJKSA-N -1 0 431.286 4.000 50 0 IIAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008595833 556190544 /nfs/dbraw/zinc/19/05/44/556190544.db2.gz LMKYKMDTSRVCDM-QFIPXVFZSA-N -1 0 429.432 4.302 50 0 aggregator IIAARM CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000009323568 556281382 /nfs/dbraw/zinc/28/13/82/556281382.db2.gz YLJXBYOPMCQXRS-CXUHLZMHSA-N -1 0 448.294 4.392 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2ON1c1ccccc1 ZINC000013804787 556311185 /nfs/dbraw/zinc/31/11/85/556311185.db2.gz PYZFNPKDFMBVOX-PWRODBHTSA-N -1 0 448.862 4.089 50 0 IIAARM Cc1ccc2nc3s/c(=C/c4coc(-c5ccc(Cl)c(C(=O)[O-])c5)c4)c(=O)n3c2c1 ZINC000013897977 556330247 /nfs/dbraw/zinc/33/02/47/556330247.db2.gz OFATZKCORKXYLH-UFWORHAWSA-N -1 0 436.876 4.377 50 0 IIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000032779769 556345176 /nfs/dbraw/zinc/34/51/76/556345176.db2.gz SHGTWEGWKKNYNC-UHFFFAOYSA-N -1 0 430.595 4.176 50 0 IIAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013005269 556434860 /nfs/dbraw/zinc/43/48/60/556434860.db2.gz PEVZMNRHRBTIOF-MSOLQXFVSA-N -1 0 448.928 4.055 50 0 IIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccn2)c1C ZINC000028882842 556463078 /nfs/dbraw/zinc/46/30/78/556463078.db2.gz RXIKYQXVFXIFDI-UHFFFAOYSA-N -1 0 437.565 4.089 50 0 IIAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1 ZINC000030819183 556506485 /nfs/dbraw/zinc/50/64/85/556506485.db2.gz VPYYABSUXZPRTI-KRWDZBQOSA-N -1 0 436.411 4.193 50 0 IIAARM O=C(Nc1cccc(O)c1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013569810 556521622 /nfs/dbraw/zinc/52/16/22/556521622.db2.gz LVXCMJVFKSEIBB-UHFFFAOYSA-N -1 0 425.491 4.055 50 0 IIAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000003103272 556522891 /nfs/dbraw/zinc/52/28/91/556522891.db2.gz YNGBNWOBNZMPGJ-GOSISDBHSA-N -1 0 441.406 4.099 50 0 IIAARM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1)N1CCCC1 ZINC000032906756 556553870 /nfs/dbraw/zinc/55/38/70/556553870.db2.gz BTJBRJWDTVGSJZ-UHFFFAOYSA-N -1 0 443.750 4.139 50 0 IIAARM CCOc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C(=O)[O-])c2)cc1 ZINC000003669697 556578846 /nfs/dbraw/zinc/57/88/46/556578846.db2.gz ZVSZRSNEKOYBCK-RUZDIDTESA-N -1 0 447.487 4.479 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000016115910 556584192 /nfs/dbraw/zinc/58/41/92/556584192.db2.gz IZQUDOXOXOQEBQ-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000016383537 556604090 /nfs/dbraw/zinc/60/40/90/556604090.db2.gz BSHKKKCEUWJOON-HOTGVXAUSA-N -1 0 428.282 4.286 50 0 IIAARM O=C(NCCSCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000016426472 556606544 /nfs/dbraw/zinc/60/65/44/556606544.db2.gz AVZLEBAGURJGQO-UHFFFAOYSA-N -1 0 426.563 4.151 50 0 IIAARM CCCC[S@@](=N)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528855 556613056 /nfs/dbraw/zinc/61/30/56/556613056.db2.gz CXROORFJJGVDFQ-JCOAXYOVSA-N -1 0 444.553 4.215 50 0 IIAARM CCCC[S@](=N)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528857 556613112 /nfs/dbraw/zinc/61/31/12/556613112.db2.gz CXROORFJJGVDFQ-UKPGIYTDSA-N -1 0 444.553 4.215 50 0 IIAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(=O)NCc2cccnc2)c1-c1ccccc1 ZINC000017101460 556666144 /nfs/dbraw/zinc/66/61/44/556666144.db2.gz OKHBOSXODZYTCY-UHFFFAOYSA-N -1 0 437.521 4.242 50 0 IIAARM COC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(C)cc4)C3=O)o2)ccc1Cl ZINC000000647549 556680118 /nfs/dbraw/zinc/68/01/18/556680118.db2.gz BHVYVPKZWPLXFB-LDADJPATSA-N -1 0 436.851 4.156 50 0 IIAARM Cc1cccc(C(=O)N2CCSCC2)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000058306946 556779289 /nfs/dbraw/zinc/77/92/89/556779289.db2.gz LLCXOBGZEYBBPZ-UHFFFAOYSA-N -1 0 432.611 4.282 50 0 IIAARM COc1cc(/C=C\C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000096402525 556807774 /nfs/dbraw/zinc/80/77/74/556807774.db2.gz CBIYPQFYMATGAN-SEYXRHQNSA-N -1 0 438.505 4.157 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)c1 ZINC000019631820 556832790 /nfs/dbraw/zinc/83/27/90/556832790.db2.gz MOWVXZNBTQZMDZ-HOTGVXAUSA-N -1 0 440.521 4.103 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 ZINC000019636206 556835056 /nfs/dbraw/zinc/83/50/56/556835056.db2.gz SVIOLVAZNDIQBZ-CVEARBPZSA-N -1 0 442.537 4.146 50 0 IIAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253476 556893780 /nfs/dbraw/zinc/89/37/80/556893780.db2.gz ZZNMVAMBHXYJAD-UHFFFAOYSA-N -1 0 432.448 4.100 50 0 IIAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000046053385 557026378 /nfs/dbraw/zinc/02/63/78/557026378.db2.gz KIPMPKXCDWUNCL-UHFFFAOYSA-N -1 0 430.888 4.070 50 0 IIAARM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000017178204 557037903 /nfs/dbraw/zinc/03/79/03/557037903.db2.gz MUNMQWPYASUVJA-UHFFFAOYSA-N -1 0 428.460 4.359 50 0 IIAARM Cc1ccc(-n2c3nc(SCC(=O)N4CCC(C)CC4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948598 557056780 /nfs/dbraw/zinc/05/67/80/557056780.db2.gz FSQKXXVUWDOYQH-UHFFFAOYSA-N -1 0 446.623 4.164 50 0 IIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)s1 ZINC000033306464 557085333 /nfs/dbraw/zinc/08/53/33/557085333.db2.gz SIYDMPJDPMNMRJ-VMPITWQZSA-N -1 0 435.502 4.422 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(C)=O)s1 ZINC000033306459 557085399 /nfs/dbraw/zinc/08/53/99/557085399.db2.gz LIACPQYOCOCJPP-PKNBQFBNSA-N -1 0 447.538 4.373 50 0 IIAARM O=S(=O)([N-]c1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1F ZINC000033308205 557087749 /nfs/dbraw/zinc/08/77/49/557087749.db2.gz ZWQPBJKDIQEPBU-UHFFFAOYSA-N -1 0 425.441 4.256 50 0 IIAARM COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2CC(C)C)c1 ZINC000072191542 557099753 /nfs/dbraw/zinc/09/97/53/557099753.db2.gz OXXQCKAEBWICRN-UHFFFAOYSA-N -1 0 440.525 4.039 50 0 IIAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(-c3cnc(-c4ccc(Cl)cc4)s3)n2)cc1 ZINC000043783165 557100897 /nfs/dbraw/zinc/10/08/97/557100897.db2.gz PLQGDCRHTNDQRA-UHFFFAOYSA-N -1 0 443.941 4.304 50 0 IIAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)c1OC ZINC000049547312 557112156 /nfs/dbraw/zinc/11/21/56/557112156.db2.gz XZOGMKIDIMWSFS-OAHLLOKOSA-N -1 0 426.856 4.320 50 0 IIAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1ccccc1Br ZINC000024346113 557144715 /nfs/dbraw/zinc/14/47/15/557144715.db2.gz ZBPLAELSQFRMPO-UHFFFAOYSA-N -1 0 447.358 4.235 50 0 IIAARM Cc1ccc(Cl)c(N2CCN(CCCn3c(=O)c4ccccc4[n-]c3=S)CC2)c1 ZINC000016399640 557150412 /nfs/dbraw/zinc/15/04/12/557150412.db2.gz HHOPAWPXPCOELF-UHFFFAOYSA-N -1 0 428.989 4.233 50 0 IIAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)n(C)c1=S ZINC000101495409 557289107 /nfs/dbraw/zinc/28/91/07/557289107.db2.gz WCCPIBXUBPKHOZ-KRWDZBQOSA-N -1 0 425.535 4.222 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)CC(c1ccccc1)=N2 ZINC000101524958 557290670 /nfs/dbraw/zinc/29/06/70/557290670.db2.gz YNMWGMSPARRUCK-INIZCTEOSA-N -1 0 436.324 4.012 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1 ZINC000101836003 557302424 /nfs/dbraw/zinc/30/24/24/557302424.db2.gz OPYOHCSXWRMLLX-IBGZPJMESA-N -1 0 438.871 4.171 50 0 IIAARM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000032880008 557317432 /nfs/dbraw/zinc/31/74/32/557317432.db2.gz JHXNWRCTVRINGG-UHFFFAOYSA-N -1 0 426.398 4.277 50 0 IIAARM Cc1oc(-c2ccccc2C)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102479181 557329992 /nfs/dbraw/zinc/32/99/92/557329992.db2.gz ZNLVYYMBRSIKBG-RTBURBONSA-N -1 0 435.871 4.105 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc(OC)c1OC ZINC000044921163 557540863 /nfs/dbraw/zinc/54/08/63/557540863.db2.gz ZSBPDWAGPJLZSE-OAHLLOKOSA-N -1 0 440.427 4.464 50 0 IIAARM Cn1c2cc([N-]S(=O)(=O)c3cccs3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000045941142 557549534 /nfs/dbraw/zinc/54/95/34/557549534.db2.gz ZSRIEGIKVCQGCU-UHFFFAOYSA-N -1 0 449.554 4.030 50 0 IIAARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc3cc(Br)ccc3n2CC)c1 ZINC000225533702 557737819 /nfs/dbraw/zinc/73/78/19/557737819.db2.gz SZPJRCIUKDNDSL-UHFFFAOYSA-N -1 0 436.331 4.212 50 0 IIAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)OCO2 ZINC000002598929 557832796 /nfs/dbraw/zinc/83/27/96/557832796.db2.gz LEQQCUYJHOCYJF-NRFANRHFSA-N -1 0 431.444 4.470 50 0 IIAARM CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000008964516 562966299 /nfs/dbraw/zinc/96/62/99/562966299.db2.gz NIJDYRWVCFKWIL-VWMWZUFWSA-N -1 0 445.556 4.297 50 0 IIAARM COc1ccc(Oc2cc([N-]S(=O)(=O)c3cc(OC)ccc3OC)ccc2OC)cc1 ZINC000025146966 568641178 /nfs/dbraw/zinc/64/11/78/568641178.db2.gz ZXJJWYCZKZGPBQ-UHFFFAOYSA-N -1 0 445.493 4.314 50 0 IIAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccncc3)CC(=O)O4)c2=O)cc1OC ZINC000263586328 568759457 /nfs/dbraw/zinc/75/94/57/568759457.db2.gz SQUPEJGTRNFCLU-OAHLLOKOSA-N -1 0 445.427 4.019 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)nc(C)c2)ccc1C ZINC000084190133 568795994 /nfs/dbraw/zinc/79/59/94/568795994.db2.gz PRKXWTRKEJCLSU-UHFFFAOYSA-N -1 0 425.510 4.069 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1cc(F)ccc1F ZINC000015731464 568814852 /nfs/dbraw/zinc/81/48/52/568814852.db2.gz LIIOLXYRIIHKFW-UHFFFAOYSA-N -1 0 438.839 4.389 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccc(F)cc1F ZINC000015731463 568814863 /nfs/dbraw/zinc/81/48/63/568814863.db2.gz UCZWWMBEFSXEHL-UHFFFAOYSA-N -1 0 438.839 4.389 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1cccc(OC)c1 ZINC000015731466 568814875 /nfs/dbraw/zinc/81/48/75/568814875.db2.gz PHHOIYLCFFUUDL-UHFFFAOYSA-N -1 0 432.885 4.120 50 0 IIAARM O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524729397 568903798 /nfs/dbraw/zinc/90/37/98/568903798.db2.gz RPEMQGXRPSNPLZ-OAHLLOKOSA-N -1 0 428.396 4.335 50 0 biogenic IIAARM CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035836785 568928159 /nfs/dbraw/zinc/92/81/59/568928159.db2.gz OWLLHOGFXSTTGV-NDENLUEZSA-N -1 0 436.899 4.195 50 0 IIAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064590183 568935276 /nfs/dbraw/zinc/93/52/76/568935276.db2.gz DBTCSKNDJWUOII-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC[C@H](C(=O)[O-])C4)c(=O)oc3c2C)c1C ZINC000006624018 568942026 /nfs/dbraw/zinc/94/20/26/568942026.db2.gz VMUJMEFJQUHQBW-INIZCTEOSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)c1C ZINC000064820456 568967170 /nfs/dbraw/zinc/96/71/70/568967170.db2.gz YQRCPJSERRVBKZ-UHFFFAOYSA-N -1 0 438.503 4.288 50 0 IIAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)C1 ZINC000064820731 568967233 /nfs/dbraw/zinc/96/72/33/568967233.db2.gz PGRFLRQUUWQZFT-MRXNPFEDSA-N -1 0 430.888 4.070 50 0 IIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000064947295 568995173 /nfs/dbraw/zinc/99/51/73/568995173.db2.gz XCNDFERNOFOKEE-UHFFFAOYSA-N -1 0 438.322 4.500 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000065060284 569095814 /nfs/dbraw/zinc/09/58/14/569095814.db2.gz APLVWXJVXMWUAJ-UHFFFAOYSA-N -1 0 432.523 4.089 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000065060315 569095969 /nfs/dbraw/zinc/09/59/69/569095969.db2.gz AMGMNGDPSBKGRB-UHFFFAOYSA-N -1 0 432.523 4.105 50 0 IIAARM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000065063474 569097996 /nfs/dbraw/zinc/09/79/96/569097996.db2.gz SIXMWQUADLHECM-UHFFFAOYSA-N -1 0 437.930 4.139 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000065116005 569107030 /nfs/dbraw/zinc/10/70/30/569107030.db2.gz CSALEIMFIGGYOG-UHFFFAOYSA-N -1 0 447.538 4.140 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000065116180 569107124 /nfs/dbraw/zinc/10/71/24/569107124.db2.gz QCYDUFDPMYRUBP-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000089781075 569163022 /nfs/dbraw/zinc/16/30/22/569163022.db2.gz SUHVINGRGYIMAE-UHFFFAOYSA-N -1 0 435.716 4.045 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3ccc(F)c(F)c3)cs2)cc1 ZINC000016848614 569164395 /nfs/dbraw/zinc/16/43/95/569164395.db2.gz KKSXKGZXHOZYAG-UHFFFAOYSA-N -1 0 437.493 4.102 50 0 IIAARM CCCc1ccc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000089960463 569168921 /nfs/dbraw/zinc/16/89/21/569168921.db2.gz HXPYATNKZYVCTA-BLLLJJGKSA-N -1 0 443.447 4.111 50 0 IIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccc(O)cc3)c(=O)oc1c2C ZINC000002122140 569183532 /nfs/dbraw/zinc/18/35/32/569183532.db2.gz AQOFRUWLFYIEOR-NRFANRHFSA-N -1 0 449.459 4.045 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002160109 569187890 /nfs/dbraw/zinc/18/78/90/569187890.db2.gz YGEZCIJOWQKBJU-UHFFFAOYSA-N -1 0 439.851 4.301 50 0 biogenic IIAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3cccc(Br)c3)cc2s1 ZINC000013348723 569313124 /nfs/dbraw/zinc/31/31/24/569313124.db2.gz YHHZAPSBLYWWKG-UHFFFAOYSA-N -1 0 441.332 4.074 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000020331415 569360941 /nfs/dbraw/zinc/36/09/41/569360941.db2.gz KDTGZBQKCQLEIE-WMLDXEAASA-N -1 0 442.585 4.414 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000096357137 569397431 /nfs/dbraw/zinc/39/74/31/569397431.db2.gz BKJAKEWIKOVHLA-UHFFFAOYSA-N -1 0 433.917 4.120 50 0 IIAARM O=S(=O)([N-]c1ncnc2scc(-c3ccc(F)cc3)c21)c1ccc2c(c1)OCCO2 ZINC000002659774 569415850 /nfs/dbraw/zinc/41/58/50/569415850.db2.gz FBVJVMGLAZCAFI-UHFFFAOYSA-N -1 0 443.481 4.069 50 0 IIAARM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccsc2)CC(=O)O4)cc1O ZINC000217670187 569451192 /nfs/dbraw/zinc/45/11/92/569451192.db2.gz HHLNLDQUCMUJNT-ZDUSSCGKSA-N -1 0 436.441 4.382 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2)ccc1C ZINC000003495734 569452683 /nfs/dbraw/zinc/45/26/83/569452683.db2.gz CKXSGDGPISKOPX-UHFFFAOYSA-N -1 0 444.940 4.388 50 0 IIAARM O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630015 569455213 /nfs/dbraw/zinc/45/52/13/569455213.db2.gz USTLJHUBJHXYJH-UHFFFAOYSA-N -1 0 435.936 4.317 50 0 IIAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2OC(F)(F)F)c1 ZINC000040267273 569497414 /nfs/dbraw/zinc/49/74/14/569497414.db2.gz XGLAWFHWQZMCNP-GOSISDBHSA-N -1 0 446.385 4.186 50 0 IIAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000009116158 569502927 /nfs/dbraw/zinc/50/29/27/569502927.db2.gz ALWQGHXGDOKPFQ-UHFFFAOYSA-N -1 0 443.838 4.148 50 0 IIAARM COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000040485616 569506851 /nfs/dbraw/zinc/50/68/51/569506851.db2.gz AGTLAVILCJOGOH-HSZRJFAPSA-N -1 0 445.471 4.455 50 0 IIAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000009465631 569538008 /nfs/dbraw/zinc/53/80/08/569538008.db2.gz JRLKAVCGTTZUTA-UHFFFAOYSA-N -1 0 444.940 4.122 50 0 IIAARM COc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009544298 569545985 /nfs/dbraw/zinc/54/59/85/569545985.db2.gz WAAUNVPAILTTAZ-UHFFFAOYSA-N -1 0 436.942 4.392 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1OC ZINC000009579593 569548493 /nfs/dbraw/zinc/54/84/93/569548493.db2.gz YENGRCXLFFXMFF-SFHVURJKSA-N -1 0 430.888 4.290 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000009587729 569549842 /nfs/dbraw/zinc/54/98/42/569549842.db2.gz NKVQXUQTGGHWFQ-UHFFFAOYSA-N -1 0 430.448 4.124 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000009670720 569558395 /nfs/dbraw/zinc/55/83/95/569558395.db2.gz BWKYUMYGDGZEAH-MJGOQNOKSA-N -1 0 428.554 4.148 50 0 IIAARM C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828517 569569754 /nfs/dbraw/zinc/56/97/54/569569754.db2.gz VUSNDKKFMQIRKF-CYBMUJFWSA-N -1 0 447.969 4.118 50 0 IIAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000006142089 193881956 /nfs/dbraw/zinc/88/19/56/193881956.db2.gz OZBPVMCJZLVYJH-VOIUYBSRSA-N -1 0 443.455 4.169 50 0 IIAARM Cc1ccc(-n2c([O-])c(C(=O)Cc3ccccc3)c(=O)n(-c3ccc(C)cc3)c2=S)cc1 ZINC000000646878 132228587 /nfs/dbraw/zinc/22/85/87/132228587.db2.gz GYSUTDAMQKMTIT-UHFFFAOYSA-N -1 0 442.540 4.396 50 0 IIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438879 132281939 /nfs/dbraw/zinc/28/19/39/132281939.db2.gz UHYVKCFGCZBJQD-FCHUYYIVSA-N -1 0 441.959 4.496 50 0 IIAARM CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397603 519838736 /nfs/dbraw/zinc/83/87/36/519838736.db2.gz PCTKIVVDYBFQEC-UHFFFAOYSA-N -1 0 431.558 4.475 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000020644700 520787806 /nfs/dbraw/zinc/78/78/06/520787806.db2.gz UAJNXHQPBJXLEH-YQQAZPJKSA-N -1 0 447.601 4.187 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@@H](C)C3)[C@H](C(=O)[O-])C1 ZINC000239403227 520841552 /nfs/dbraw/zinc/84/15/52/520841552.db2.gz RQOCKONQWNUXKZ-ZTFRIQLXSA-N -1 0 430.570 4.151 50 0 IIAARM CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000021660987 521299306 /nfs/dbraw/zinc/29/93/06/521299306.db2.gz DISBWYQQXZNYAD-INIZCTEOSA-N -1 0 448.504 4.361 50 0 IIAARM CCOc1ccccc1NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021931945 521552758 /nfs/dbraw/zinc/55/27/58/521552758.db2.gz FLCWSLBDARABBR-UHFFFAOYSA-N -1 0 425.510 4.150 50 0 IIAARM CCn1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc2sccc21 ZINC000040798817 523118460 /nfs/dbraw/zinc/11/84/60/523118460.db2.gz UHMYATXUWLESCZ-UHFFFAOYSA-N -1 0 432.552 4.232 50 0 IIAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1 ZINC000035553609 523751417 /nfs/dbraw/zinc/75/14/17/523751417.db2.gz UNZHTFGKWHGYBT-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM Cc1cccc(-c2nnc(SCc3cc4c(c(Cl)c3)OCO4)n2CCC(=O)[O-])c1 ZINC000012788851 524126545 /nfs/dbraw/zinc/12/65/45/524126545.db2.gz QJCFSAIHECQORF-UHFFFAOYSA-N -1 0 431.901 4.403 50 0 IIAARM COc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012521425 524475830 /nfs/dbraw/zinc/47/58/30/524475830.db2.gz DABVPEGCWOQHTH-UHFFFAOYSA-N -1 0 441.347 4.243 50 0 IIAARM COc1ccccc1CNC(=O)c1ccc2c(c1)nc1c(c2SCC(=O)[O-])CCCC1 ZINC000021368309 524483277 /nfs/dbraw/zinc/48/32/77/524483277.db2.gz XPCUOLKHEJXVRR-UHFFFAOYSA-N -1 0 436.533 4.229 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000012521190 524646038 /nfs/dbraw/zinc/64/60/38/524646038.db2.gz BAZWCVSLIWJDIG-UHFFFAOYSA-N -1 0 432.885 4.107 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017098103 524724643 /nfs/dbraw/zinc/72/46/43/524724643.db2.gz SOLLDPBTSPAZCM-BMFZPTHFSA-N -1 0 432.586 4.375 50 0 IIAARM C[C@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1)C(=O)[O-] ZINC000012550626 525507173 /nfs/dbraw/zinc/50/71/73/525507173.db2.gz WIEHRRKJZZBBMB-INIZCTEOSA-N -1 0 432.501 4.320 50 0 IIAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4ccccc4F)cc3C(=O)[O-])CC2)c1 ZINC000033078546 526156804 /nfs/dbraw/zinc/15/68/04/526156804.db2.gz QSKOGTCUQZUMGT-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(=O)n21 ZINC000021663175 526219513 /nfs/dbraw/zinc/21/95/13/526219513.db2.gz RJEAAESQPDEVDO-UHFFFAOYSA-N -1 0 433.942 4.289 50 0 IIAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1 ZINC000020732143 526308871 /nfs/dbraw/zinc/30/88/71/526308871.db2.gz VPYYABSUXZPRTI-QGZVFWFLSA-N -1 0 436.411 4.193 50 0 IIAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N(Cc1ccccc1F)C1CC1 ZINC000012584697 526702534 /nfs/dbraw/zinc/70/25/34/526702534.db2.gz DIXJDVMOEDOHCD-UHFFFAOYSA-N -1 0 430.526 4.493 50 0 IIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1Br ZINC000012552493 527244788 /nfs/dbraw/zinc/24/47/88/527244788.db2.gz IQJZXCHFENREBN-UHFFFAOYSA-N -1 0 446.248 4.454 50 0 IIAARM O=S(=O)([N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1Cl ZINC000012853312 527248210 /nfs/dbraw/zinc/24/82/10/527248210.db2.gz NKLVADCTTOWNRM-UHFFFAOYSA-N -1 0 438.887 4.404 50 0 IIAARM CCOc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000002109390 535426532 /nfs/dbraw/zinc/42/65/32/535426532.db2.gz ZSCNIRFZUMPJRC-VWLOTQADSA-N -1 0 447.487 4.479 50 0 biogenic IIAARM O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000622278 555511128 /nfs/dbraw/zinc/51/11/28/555511128.db2.gz MTYHKSZQRUWPBN-UHFFFAOYSA-N -1 0 439.518 4.115 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000000625056 555512422 /nfs/dbraw/zinc/51/24/22/555512422.db2.gz RGABXPIYGPJBDY-UHFFFAOYSA-N -1 0 438.553 4.444 50 0 IIAARM O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000784464 555556063 /nfs/dbraw/zinc/55/60/63/555556063.db2.gz UGZQBUXQGXWBTH-UHFFFAOYSA-N -1 0 439.518 4.115 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000001003790 555600747 /nfs/dbraw/zinc/60/07/47/555600747.db2.gz FZKWHLXBPNOEBF-UHFFFAOYSA-N -1 0 431.905 4.192 50 0 IIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000001413825 555694647 /nfs/dbraw/zinc/69/46/47/555694647.db2.gz BMWFXSPRYOHMMZ-UHFFFAOYSA-N -1 0 441.516 4.123 50 0 IIAARM COC(=O)C(C)(C)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000002438157 555779087 /nfs/dbraw/zinc/77/90/87/555779087.db2.gz KIDRWENGXWBOFA-IRXDYDNUSA-N -1 0 431.282 4.150 50 0 IIAARM CCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000003091864 555885461 /nfs/dbraw/zinc/88/54/61/555885461.db2.gz IBQKHERNPBTPLK-CQSZACIVSA-N -1 0 440.780 4.064 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000002709575 556124721 /nfs/dbraw/zinc/12/47/21/556124721.db2.gz UFARZULEVAQLPF-UHFFFAOYSA-N -1 0 432.505 4.300 50 0 IIAARM CCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000008384779 556160635 /nfs/dbraw/zinc/16/06/35/556160635.db2.gz VYLWURKNALKGKY-HXUWFJFHSA-N -1 0 438.509 4.397 50 0 IIAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)sc2c1CCCC2 ZINC000008397793 556164490 /nfs/dbraw/zinc/16/44/90/556164490.db2.gz YYPYIDIHMPXMAV-UHFFFAOYSA-N -1 0 429.947 4.266 50 0 IIAARM O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000008443179 556178000 /nfs/dbraw/zinc/17/80/00/556178000.db2.gz MNICPKYMSKCYEN-UJKMTWAASA-N -1 0 429.859 4.435 50 0 IIAARM CC1=C(C)C[C@@H](C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)[C@H](C(=O)[O-])C1 ZINC000008454448 556185210 /nfs/dbraw/zinc/18/52/10/556185210.db2.gz ZZAGQSGKZPKVQD-WOJBJXKFSA-N -1 0 445.512 4.203 50 0 IIAARM CSc1scc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1S(=O)(=O)C(C)C ZINC000008648557 556196213 /nfs/dbraw/zinc/19/62/13/556196213.db2.gz QHRODQUGHZCVFG-UHFFFAOYSA-N -1 0 426.006 4.106 50 0 IIAARM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008722798 556203358 /nfs/dbraw/zinc/20/33/58/556203358.db2.gz LTYPNAISDXMFTK-QGZVFWFLSA-N -1 0 431.539 4.048 50 0 IIAARM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000008915426 556232418 /nfs/dbraw/zinc/23/24/18/556232418.db2.gz TZBXUEJPCZJCPS-DOXZYTNZSA-N -1 0 426.460 4.150 50 0 IIAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000009287771 556272030 /nfs/dbraw/zinc/27/20/30/556272030.db2.gz AGLCWGQWADHOOP-UHFFFAOYSA-N -1 0 429.226 4.245 50 0 IIAARM CC(C)[C@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)[O-])n(-c4ccccc4)c(=O)c32)CO1 ZINC000013802005 556310483 /nfs/dbraw/zinc/31/04/83/556310483.db2.gz QVMWHSJKNAZRJD-SWLSCSKDSA-N -1 0 430.551 4.110 50 0 IIAARM COc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc(Cl)c1OC(C)C ZINC000013985063 556351865 /nfs/dbraw/zinc/35/18/65/556351865.db2.gz KPEQQJWTUVORSI-RIYZIHGNSA-N -1 0 440.883 4.488 50 0 IIAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013004992 556434845 /nfs/dbraw/zinc/43/48/45/556434845.db2.gz SMHNVJFMBDWYJF-HOTGVXAUSA-N -1 0 448.928 4.055 50 0 IIAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000013137074 556483982 /nfs/dbraw/zinc/48/39/82/556483982.db2.gz HLSPTDWBJQDVGR-GOSISDBHSA-N -1 0 441.871 4.422 50 0 IIAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2Cl)cc1 ZINC000032906728 556553561 /nfs/dbraw/zinc/55/35/61/556553561.db2.gz MELRCZDABMYWBQ-UHFFFAOYSA-N -1 0 437.926 4.337 50 0 IIAARM O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000016024814 556576202 /nfs/dbraw/zinc/57/62/02/556576202.db2.gz QSGDOQDPRJHQQM-YCRREMRBSA-N -1 0 449.319 4.236 50 0 IIAARM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccccc1F ZINC000022534894 556578220 /nfs/dbraw/zinc/57/82/20/556578220.db2.gz OZOGIVFOYPVXQG-UHFFFAOYSA-N -1 0 432.455 4.291 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Cl)s1 ZINC000016097074 556582477 /nfs/dbraw/zinc/58/24/77/556582477.db2.gz NWLXXCDIOFDMJE-UHFFFAOYSA-N -1 0 428.944 4.003 50 0 IIAARM COC(=O)c1ccc(C)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000016448642 556608735 /nfs/dbraw/zinc/60/87/35/556608735.db2.gz RSSCNZGLFQPXMR-UHFFFAOYSA-N -1 0 438.505 4.143 50 0 IIAARM COc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CC[C@H](C)C3)c1 ZINC000017097019 556661004 /nfs/dbraw/zinc/66/10/04/556661004.db2.gz AFKRYUGDFHYDQZ-ZDUSSCGKSA-N -1 0 430.526 4.327 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])C(C)C)occ3-c1ccccc1 ZINC000011865615 556665420 /nfs/dbraw/zinc/66/54/20/556665420.db2.gz SKKBDNYUEIDNJX-HSZRJFAPSA-N -1 0 433.460 4.283 50 0 IIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000011866055 556665736 /nfs/dbraw/zinc/66/57/36/556665736.db2.gz BHDZQOHCUXYPKX-IBGZPJMESA-N -1 0 439.924 4.299 50 0 IIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017102397 556666742 /nfs/dbraw/zinc/66/67/42/556666742.db2.gz FHJZVGCDWRDORB-QIRNKGDASA-N -1 0 438.549 4.383 50 0 IIAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 ZINC000033254014 556894253 /nfs/dbraw/zinc/89/42/53/556894253.db2.gz MHIJZFLJRZGOOC-UHFFFAOYSA-N -1 0 434.558 4.313 50 0 IIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000033254006 556894352 /nfs/dbraw/zinc/89/43/52/556894352.db2.gz GGUFWGIFNDFFSV-UHFFFAOYSA-N -1 0 440.949 4.474 50 0 IIAARM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(I)cc3)nc21 ZINC000072414489 556972376 /nfs/dbraw/zinc/97/23/76/556972376.db2.gz FYHBANOMGCNQPA-UHFFFAOYSA-N -1 0 430.292 4.010 50 0 IIAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023156816 557032075 /nfs/dbraw/zinc/03/20/75/557032075.db2.gz HIWKEKGWVKHIHG-LJQANCHMSA-N -1 0 439.972 4.370 50 0 IIAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000098037204 557033246 /nfs/dbraw/zinc/03/32/46/557033246.db2.gz BHDZQOHCUXYPKX-LJQANCHMSA-N -1 0 439.924 4.299 50 0 IIAARM O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000032946741 557034520 /nfs/dbraw/zinc/03/45/20/557034520.db2.gz AYGMSTFFPHPTHP-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM COc1cc(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)ccc1OCC(=O)[O-] ZINC000033293441 557076376 /nfs/dbraw/zinc/07/63/76/557076376.db2.gz NINWTAVUODJDPO-CAOOACKPSA-N -1 0 432.885 4.012 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000024895160 557194768 /nfs/dbraw/zinc/19/47/68/557194768.db2.gz IKWSHMGSFWJVHY-UHFFFAOYSA-N -1 0 448.504 4.138 50 0 IIAARM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000025132113 557196133 /nfs/dbraw/zinc/19/61/33/557196133.db2.gz HFGLGMZBLIXGLC-UHFFFAOYSA-N -1 0 448.859 4.261 50 0 IIAARM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000000797216 557212036 /nfs/dbraw/zinc/21/20/36/557212036.db2.gz OHGJXDOEIXHOQX-UHFFFAOYSA-N -1 0 431.311 4.184 50 0 IIAARM Cc1cc(=O)n2c(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)s4)c3)csc2n1 ZINC000011696339 557233123 /nfs/dbraw/zinc/23/31/23/557233123.db2.gz CLHOIRJKYRUGNX-UHFFFAOYSA-N -1 0 437.955 4.247 50 0 IIAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]2OC(=O)c3ccccc32)cc1C ZINC000100742160 557273932 /nfs/dbraw/zinc/27/39/32/557273932.db2.gz ZWEYTXMYQKBVKO-XUZZJYLKSA-N -1 0 427.456 4.222 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)s1 ZINC000011665576 557285799 /nfs/dbraw/zinc/28/57/99/557285799.db2.gz OLYHPPOAIKLKTB-UHFFFAOYSA-N -1 0 448.533 4.024 50 0 IIAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1O ZINC000101494957 557288495 /nfs/dbraw/zinc/28/84/95/557288495.db2.gz AQAYEDQTZJTDCP-QGZVFWFLSA-N -1 0 441.534 4.221 50 0 IIAARM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)ccc1O ZINC000101494823 557288761 /nfs/dbraw/zinc/28/87/61/557288761.db2.gz GLAUUFVZRGEVJK-KRWDZBQOSA-N -1 0 441.534 4.221 50 0 IIAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1O ZINC000101494955 557288786 /nfs/dbraw/zinc/28/87/86/557288786.db2.gz AQAYEDQTZJTDCP-KRWDZBQOSA-N -1 0 441.534 4.221 50 0 IIAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000101663839 557293462 /nfs/dbraw/zinc/29/34/62/557293462.db2.gz NLUPUBCBSWURFU-VQTJNVASSA-N -1 0 449.898 4.414 50 0 IIAARM CCn1c(=O)c(-c2nc(-c3ccc(F)c(Br)c3)no2)c([O-])c2ccccc21 ZINC000101725422 557296139 /nfs/dbraw/zinc/29/61/39/557296139.db2.gz ZEGKDXILJJMLCD-UHFFFAOYSA-N -1 0 430.233 4.346 50 0 IIAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4CC)cnn32)cc1 ZINC000101835406 557301992 /nfs/dbraw/zinc/30/19/92/557301992.db2.gz LGWYFFNWEBFEGJ-OAQYLSRUSA-N -1 0 432.480 4.080 50 0 IIAARM COc1cc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748441 557378903 /nfs/dbraw/zinc/37/89/03/557378903.db2.gz RMCXQTFJWULODM-WLRWDXFRSA-N -1 0 438.440 4.317 50 0 IIAARM COc1ccc(-c2nc3c(nc(-c4cc(OC)c(OC)c(OC)c4)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694746 557392988 /nfs/dbraw/zinc/39/29/88/557392988.db2.gz NMLRVCWCMVBWRD-UHFFFAOYSA-N -1 0 435.436 4.025 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nccn1-c1ccc(C)cc1C)c1nc(C)cs1 ZINC000103076040 557418474 /nfs/dbraw/zinc/41/84/74/557418474.db2.gz LMYFNLCFWAPBJL-GOSISDBHSA-N -1 0 429.567 4.262 50 0 IIAARM COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941985 557551548 /nfs/dbraw/zinc/55/15/48/557551548.db2.gz YWFGECCCBKSXLA-HSZRJFAPSA-N -1 0 445.471 4.455 50 0 IIAARM COC(=O)c1cccc(SC)c1[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000225606271 557750617 /nfs/dbraw/zinc/75/06/17/557750617.db2.gz CXBLXAIDORGDRT-UHFFFAOYSA-N -1 0 430.345 4.067 50 0 IIAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Cl ZINC000000856479 557831383 /nfs/dbraw/zinc/83/13/83/557831383.db2.gz RPNYGARFMLGHHX-JQBYJRRVSA-N -1 0 429.859 4.435 50 0 IIAARM CN1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])c2ccccc21 ZINC000685939972 557838763 /nfs/dbraw/zinc/83/87/63/557838763.db2.gz OLRSMTVTPVBNES-SANMLTNESA-N -1 0 428.488 4.345 50 0 IIAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002105486 562925833 /nfs/dbraw/zinc/92/58/33/562925833.db2.gz FGASSJLHXCNEAN-GOSISDBHSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003561053 562936412 /nfs/dbraw/zinc/93/64/12/562936412.db2.gz ZMBVGRXWDRAZOC-UHFFFAOYSA-N -1 0 442.349 4.432 50 0 IIAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000003881406 562939194 /nfs/dbraw/zinc/93/91/94/562939194.db2.gz KLRNMIUKAXHHFS-PBTUIDMCSA-N -1 0 432.557 4.192 50 0 biogenic IIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1 ZINC000006238721 562946483 /nfs/dbraw/zinc/94/64/83/562946483.db2.gz LPANQYFEAHDOIP-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1Cl ZINC000008608264 562957416 /nfs/dbraw/zinc/95/74/16/562957416.db2.gz WJXYQWNNDDJHJA-UHFFFAOYSA-N -1 0 438.889 4.130 50 0 IIAARM CC[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1O)c1ccccc1 ZINC000012780429 568800668 /nfs/dbraw/zinc/80/06/68/568800668.db2.gz BYKVXTVFTKWGQI-SFHVURJKSA-N -1 0 440.521 4.334 50 0 IIAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4OC)cc(C(=O)[O-])c32)cc1 ZINC000015677209 568804361 /nfs/dbraw/zinc/80/43/61/568804361.db2.gz DNLPEDDYIAETIG-UHFFFAOYSA-N -1 0 435.436 4.025 50 0 IIAARM COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1O ZINC000085875136 568837973 /nfs/dbraw/zinc/83/79/73/568837973.db2.gz UDOMLLANWVXRMU-IBGZPJMESA-N -1 0 442.489 4.047 50 0 biogenic IIAARM C[C@H](Sc1nnc(COc2cccc(Br)c2)n1Cc1ccccc1)C(=O)[O-] ZINC000015838429 568844515 /nfs/dbraw/zinc/84/45/15/568844515.db2.gz HRCZTQCAHBBBEM-ZDUSSCGKSA-N -1 0 448.342 4.233 50 0 IIAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cc(F)ccc1F ZINC000015882230 568856760 /nfs/dbraw/zinc/85/67/60/568856760.db2.gz CGXBZIMBXOJDKI-UHFFFAOYSA-N -1 0 430.480 4.213 50 0 IIAARM O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000013017245 568901567 /nfs/dbraw/zinc/90/15/67/568901567.db2.gz UDYSGQFHJXQCII-UHFFFAOYSA-N -1 0 429.851 4.082 50 0 IIAARM Cc1ccc(C(=O)NC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000026771199 568916681 /nfs/dbraw/zinc/91/66/81/568916681.db2.gz PEPHHTJSMIRCBQ-JOCHJYFZSA-N -1 0 427.909 4.061 50 0 IIAARM CCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000016567368 568922231 /nfs/dbraw/zinc/92/22/31/568922231.db2.gz HLCBDQRKXSSRRP-NDENLUEZSA-N -1 0 436.899 4.195 50 0 IIAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1 ZINC000064588735 568934706 /nfs/dbraw/zinc/93/47/06/568934706.db2.gz IPPUELMGBBFBNP-OAHLLOKOSA-N -1 0 430.888 4.070 50 0 IIAARM Cc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000064589298 568934876 /nfs/dbraw/zinc/93/48/76/568934876.db2.gz LMBRMGRCEWBWMC-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000064820335 568967041 /nfs/dbraw/zinc/96/70/41/568967041.db2.gz FGDDXEDBQDTDFN-INIZCTEOSA-N -1 0 430.888 4.070 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820579 568967290 /nfs/dbraw/zinc/96/72/90/568967290.db2.gz KPLXZFJLEXXTQR-UHFFFAOYSA-N -1 0 426.542 4.118 50 0 IIAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843269 568970962 /nfs/dbraw/zinc/97/09/62/568970962.db2.gz RSMCATNOZYMGID-UHFFFAOYSA-N -1 0 439.537 4.142 50 0 IIAARM COc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc(OC)c1OC ZINC000064845454 568972056 /nfs/dbraw/zinc/97/20/56/568972056.db2.gz NVJHSSITCGRXAN-UHFFFAOYSA-N -1 0 438.527 4.155 50 0 IIAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000064979546 569078206 /nfs/dbraw/zinc/07/82/06/569078206.db2.gz VMSLBLWIGVQZOX-UHFFFAOYSA-N -1 0 427.251 4.053 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000065116163 569107136 /nfs/dbraw/zinc/10/71/36/569107136.db2.gz DZJHTYCEAROBJQ-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cccc(Br)c4)c([O-])c23)C1 ZINC000065150504 569111067 /nfs/dbraw/zinc/11/10/67/569111067.db2.gz JJMMMEFHGSYTFG-VIFPVBQESA-N -1 0 433.327 4.435 50 0 IIAARM CCOc1ccc(OCC)c(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)c1 ZINC000065150470 569111081 /nfs/dbraw/zinc/11/10/81/569111081.db2.gz HLAGXFIDCJJISU-GFCCVEGCSA-N -1 0 442.537 4.470 50 0 IIAARM CC(=O)Nc1cccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c1 ZINC000065215663 569116889 /nfs/dbraw/zinc/11/68/89/569116889.db2.gz MMNIABICBRFGTP-UHFFFAOYSA-N -1 0 433.489 4.028 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017026592 569171106 /nfs/dbraw/zinc/17/11/06/569171106.db2.gz UCDIKYOGWGYWGB-UHFFFAOYSA-N -1 0 436.533 4.397 50 0 IIAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144185 569174640 /nfs/dbraw/zinc/17/46/40/569174640.db2.gz FLWIYWUOZRZPMI-HFBDOXOYSA-N -1 0 427.357 4.310 50 0 IIAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002115408 569182480 /nfs/dbraw/zinc/18/24/80/569182480.db2.gz PDMWXGZKQWFWQV-AWEZNQCLSA-N -1 0 433.460 4.263 50 0 biogenic IIAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002116795 569182500 /nfs/dbraw/zinc/18/25/00/569182500.db2.gz YPQSGAXFMLIWHS-KRWDZBQOSA-N -1 0 445.537 4.010 50 0 biogenic IIAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000002128927 569184321 /nfs/dbraw/zinc/18/43/21/569184321.db2.gz HCMATYWCWYGVSJ-HXUWFJFHSA-N -1 0 433.460 4.345 50 0 biogenic IIAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000002138125 569185342 /nfs/dbraw/zinc/18/53/42/569185342.db2.gz XCTSBBVUEIYXIA-JTHBVZDNSA-N -1 0 437.455 4.349 50 0 biogenic IIAARM O=C(Cc1csc(-c2cccc(Br)c2)n1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253394033 569264451 /nfs/dbraw/zinc/26/44/51/569264451.db2.gz NTRQWIOUEBWPRE-JOCQHMNTSA-N -1 0 437.359 4.122 50 0 IIAARM O=C(NCc1ccccc1Cl)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000020102254 569334034 /nfs/dbraw/zinc/33/40/34/569334034.db2.gz PDOGZNSSACPJOT-UHFFFAOYSA-N -1 0 435.936 4.317 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000020331428 569360938 /nfs/dbraw/zinc/36/09/38/569360938.db2.gz KDTGZBQKCQLEIE-PBHICJAKSA-N -1 0 442.585 4.414 50 0 IIAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O ZINC000096115736 569383399 /nfs/dbraw/zinc/38/33/99/569383399.db2.gz IRYXREOWEVUUOC-HNNXBMFYSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O ZINC000096115737 569383489 /nfs/dbraw/zinc/38/34/89/569383489.db2.gz IRYXREOWEVUUOC-OAHLLOKOSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)[O-])cc1 ZINC000096318951 569393980 /nfs/dbraw/zinc/39/39/80/569393980.db2.gz KPCHLBZWEYWCDF-BBWFWOEESA-N -1 0 429.519 4.133 50 0 IIAARM Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Br ZINC000002730953 569419184 /nfs/dbraw/zinc/41/91/84/569419184.db2.gz DZOWUTZCVLEEGX-ZDUSSCGKSA-N -1 0 444.362 4.403 50 0 IIAARM CCOC(=O)c1sc2[n-]c(=S)n(Cc3cccc(Br)c3)c(=O)c2c1C ZINC000003010483 569435379 /nfs/dbraw/zinc/43/53/79/569435379.db2.gz CUGSLONXEUBWNN-UHFFFAOYSA-N -1 0 439.356 4.417 50 0 IIAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)C1 ZINC000003043906 569438570 /nfs/dbraw/zinc/43/85/70/569438570.db2.gz AAPNZGSYXPPZHU-CQSZACIVSA-N -1 0 427.957 4.259 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000003256894 569443139 /nfs/dbraw/zinc/44/31/39/569443139.db2.gz JHJSLVVBKXLFGZ-UHFFFAOYSA-N -1 0 446.488 4.322 50 0 IIAARM COc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cccs3)sc2c1 ZINC000003515935 569453101 /nfs/dbraw/zinc/45/31/01/569453101.db2.gz LZZKXYPCGDMAKZ-UHFFFAOYSA-N -1 0 445.547 4.420 50 0 IIAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)c(OC)c1 ZINC000003631041 569455323 /nfs/dbraw/zinc/45/53/23/569455323.db2.gz VRJDPSDFKYIZDR-UHFFFAOYSA-N -1 0 447.516 4.003 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)no1 ZINC000003991808 569457533 /nfs/dbraw/zinc/45/75/33/569457533.db2.gz XALKJKREYBYIIG-UHFFFAOYSA-N -1 0 426.281 4.343 50 0 IIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032091632 569459591 /nfs/dbraw/zinc/45/95/91/569459591.db2.gz SSBIEBISFYZZMF-LJQANCHMSA-N -1 0 426.929 4.379 50 0 IIAARM COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)[O-])cc1 ZINC000008718261 569471281 /nfs/dbraw/zinc/47/12/81/569471281.db2.gz UWGJMJNRBJQWIE-CQSZACIVSA-N -1 0 431.489 4.194 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000008977281 569492910 /nfs/dbraw/zinc/49/29/10/569492910.db2.gz CJSKAFVNVWZKCB-UHFFFAOYSA-N -1 0 442.562 4.064 50 0 IIAARM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccccc1Br ZINC000009095706 569501409 /nfs/dbraw/zinc/50/14/09/569501409.db2.gz IVVZCOSHULVALL-UHFFFAOYSA-N -1 0 431.261 4.458 50 0 IIAARM C[C@@H]1c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2O[C@H]1C ZINC000009367468 569526470 /nfs/dbraw/zinc/52/64/70/569526470.db2.gz QFGQPFHUMGLFFZ-STQMWFEESA-N -1 0 429.523 4.081 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C2CC2)c(Cl)cc1Cl ZINC000009377273 569527422 /nfs/dbraw/zinc/52/74/22/569527422.db2.gz IARFORSXMVESFN-NSHDSACASA-N -1 0 443.352 4.331 50 0 IIAARM CCn1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c2cc3cccc(C)c3nc21 ZINC000009488409 569539895 /nfs/dbraw/zinc/53/98/95/569539895.db2.gz OBQATRGXCSQGGC-UHFFFAOYSA-N -1 0 445.342 4.476 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)s2)on1 ZINC000009688847 569560855 /nfs/dbraw/zinc/56/08/55/569560855.db2.gz QDSFOMAJCGFQEZ-UHFFFAOYSA-N -1 0 426.903 4.342 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)s1 ZINC000009707426 569561558 /nfs/dbraw/zinc/56/15/58/569561558.db2.gz OHXVZODNQCAATB-UHFFFAOYSA-N -1 0 425.535 4.119 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)NC(C)(C)C)ccc1N1CCCC1 ZINC000009751086 569566077 /nfs/dbraw/zinc/56/60/77/569566077.db2.gz UZHILSAAMKCPPK-UHFFFAOYSA-N -1 0 446.573 4.016 50 0 IIAARM COc1cc(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)c(OC)cc1C ZINC000010274168 569580359 /nfs/dbraw/zinc/58/03/59/569580359.db2.gz BOTUZNSOTNJXDG-UHFFFAOYSA-N -1 0 437.521 4.436 50 0 IIAARM Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000064450514 569585042 /nfs/dbraw/zinc/58/50/42/569585042.db2.gz NXTYETKQLCITLT-UHFFFAOYSA-N -1 0 446.941 4.931 50 0 IIAARM O=C([O-])/C(=C/C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)c1ccccc1 ZINC000008438856 132281950 /nfs/dbraw/zinc/28/19/50/132281950.db2.gz QMKMPTNZDHDSDL-HKOYGPOVSA-N -1 0 445.494 4.259 50 0 IIAARM COc1ccc(N2C(=O)[N-]C(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)cc1 ZINC000008680804 132290119 /nfs/dbraw/zinc/29/01/19/132290119.db2.gz HPMVZVIEAQAYON-UHFFFAOYSA-N -1 0 444.491 4.160 50 0 IIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239038894 518944278 /nfs/dbraw/zinc/94/42/78/518944278.db2.gz FDEITCCIELITLU-VNQPRFMTSA-N -1 0 444.597 4.397 50 0 IIAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012557298 520561734 /nfs/dbraw/zinc/56/17/34/520561734.db2.gz YOOPFXGXBXJDJX-UHFFFAOYSA-N -1 0 445.766 4.385 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000020644696 520788135 /nfs/dbraw/zinc/78/81/35/520788135.db2.gz UAJNXHQPBJXLEH-HLLBOEOZSA-N -1 0 447.601 4.187 50 0 IIAARM CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017094934 521264760 /nfs/dbraw/zinc/26/47/60/521264760.db2.gz MUTNEVJPMSBXMB-IRXDYDNUSA-N -1 0 426.538 4.462 50 0 IIAARM CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022795298 521693045 /nfs/dbraw/zinc/69/30/45/521693045.db2.gz XAMPRUOUXSSPJX-QGZVFWFLSA-N -1 0 443.960 4.137 50 0 IIAARM CCc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854811 522536419 /nfs/dbraw/zinc/53/64/19/522536419.db2.gz AJWUSKQWFGXFGI-HXUWFJFHSA-N -1 0 437.544 4.110 50 0 IIAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccc(C)cc2)C1 ZINC000017096072 523208319 /nfs/dbraw/zinc/20/83/19/523208319.db2.gz RMIWMABRVJLBIW-HNNXBMFYSA-N -1 0 428.554 4.305 50 0 IIAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c1 ZINC000035397528 524457063 /nfs/dbraw/zinc/45/70/63/524457063.db2.gz LVVIMDZOJGPMLL-UHFFFAOYSA-N -1 0 433.574 4.316 50 0 IIAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2[n-]c1=S ZINC000020645429 524518485 /nfs/dbraw/zinc/51/84/85/524518485.db2.gz YZQHVTREQDBBFY-HOTGVXAUSA-N -1 0 437.565 4.234 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000012562644 524642165 /nfs/dbraw/zinc/64/21/65/524642165.db2.gz SWCXXURFEZWSNN-GASCZTMLSA-N -1 0 436.961 4.268 50 0 IIAARM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000012583525 525216398 /nfs/dbraw/zinc/21/63/98/525216398.db2.gz IJPBFEODRLSTHD-UHFFFAOYSA-N -1 0 434.970 4.387 50 0 IIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1 ZINC000022903237 525240202 /nfs/dbraw/zinc/24/02/02/525240202.db2.gz PHUVGLLRKLXJMZ-INIZCTEOSA-N -1 0 448.500 4.085 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1N1CCCC1=O ZINC000012552235 525287085 /nfs/dbraw/zinc/28/70/85/525287085.db2.gz PAUUUBPGPPFNPD-UHFFFAOYSA-N -1 0 443.750 4.339 50 0 IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(C)n1C ZINC000021155889 525568001 /nfs/dbraw/zinc/56/80/01/525568001.db2.gz AYAZPHDSZQWDIE-UHFFFAOYSA-N -1 0 443.613 4.194 50 0 IIAARM Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cs1 ZINC000012852309 526579969 /nfs/dbraw/zinc/57/99/69/526579969.db2.gz JSJXMYWQSKNIGF-UHFFFAOYSA-N -1 0 428.535 4.185 50 0 IIAARM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012507854 527518058 /nfs/dbraw/zinc/51/80/58/527518058.db2.gz YVERVFYKVCBQMM-UHFFFAOYSA-N -1 0 443.388 4.374 50 0 IIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000065475611 527522406 /nfs/dbraw/zinc/52/24/06/527522406.db2.gz DOAIGTHSOCDXHA-UHFFFAOYSA-N -1 0 425.432 4.497 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(O)cc1-n1nc2ccccc2n1 ZINC000000717638 555549196 /nfs/dbraw/zinc/54/91/96/555549196.db2.gz ZKSVHUMMQQNUEO-UHFFFAOYSA-N -1 0 430.489 4.389 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)n1 ZINC000000829047 555565963 /nfs/dbraw/zinc/56/59/63/555565963.db2.gz YGRNNIQIJMJIRN-KPKJPENVSA-N -1 0 442.928 4.200 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccs1 ZINC000002812644 555827893 /nfs/dbraw/zinc/82/78/93/555827893.db2.gz HHWKLRYZCLNCGA-UHFFFAOYSA-N -1 0 428.944 4.003 50 0 IIAARM CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000003091863 555885502 /nfs/dbraw/zinc/88/55/02/555885502.db2.gz KLNHXRXDHYCJIA-AWEZNQCLSA-N -1 0 440.780 4.064 50 0 IIAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763762 555905705 /nfs/dbraw/zinc/90/57/05/555905705.db2.gz GJDWADHYPVYVNV-GOSISDBHSA-N -1 0 434.540 4.103 50 0 IIAARM CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@@H](CC(=O)[O-])CC3 ZINC000003961849 555951867 /nfs/dbraw/zinc/95/18/67/555951867.db2.gz NXFFJDQHYLNEJK-CYBMUJFWSA-N -1 0 435.904 4.390 50 0 world IIAARM COc1cccc2c1CC[C@@]2(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000521396604 556020833 /nfs/dbraw/zinc/02/08/33/556020833.db2.gz POZTZANBPAJSAC-SANMLTNESA-N -1 0 429.472 4.460 50 0 IIAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088799 556075937 /nfs/dbraw/zinc/07/59/37/556075937.db2.gz XKBPOSPJPVGHGO-LBPRGKRZSA-N -1 0 437.930 4.003 50 0 IIAARM O=S(=O)([N-]c1cnn(Cc2ccccc2Cl)c1)c1ccc(Br)s1 ZINC000002778701 556141013 /nfs/dbraw/zinc/14/10/13/556141013.db2.gz SIILHLOUGJIENT-UHFFFAOYSA-N -1 0 432.752 4.210 50 0 IIAARM Cc1nn(Cc2cccc(Cl)c2)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000002804622 556142973 /nfs/dbraw/zinc/14/29/73/556142973.db2.gz XGHYJBSMVUSTMV-UHFFFAOYSA-N -1 0 443.907 4.211 50 0 IIAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000008595831 556190650 /nfs/dbraw/zinc/19/06/50/556190650.db2.gz LMKYKMDTSRVCDM-JOCHJYFZSA-N -1 0 429.432 4.302 50 0 aggregator IIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(O)cc4)c(Cl)c1=O)(C3)C2 ZINC000009293768 556274311 /nfs/dbraw/zinc/27/43/11/556274311.db2.gz YWWVMTRCDDWIQY-NAZSJPOASA-N -1 0 429.904 4.116 50 0 IIAARM CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000013942662 556340051 /nfs/dbraw/zinc/34/00/51/556340051.db2.gz HYPUYGMSBSCMEO-YVLHZVERSA-N -1 0 433.869 4.443 50 0 IIAARM Cc1nn(Cc2ccc(Br)cc2)c(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000014224430 556393807 /nfs/dbraw/zinc/39/38/07/556393807.db2.gz FQODZSXVFAPTAZ-UHFFFAOYSA-N -1 0 426.361 4.173 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013027898 556441088 /nfs/dbraw/zinc/44/10/88/556441088.db2.gz RMVWMINFIXUFJJ-HZPDHXFCSA-N -1 0 429.494 4.206 50 0 IIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000030011825 556488872 /nfs/dbraw/zinc/48/88/72/556488872.db2.gz OIWFMMLHSOESIC-MRXNPFEDSA-N -1 0 434.517 4.281 50 0 IIAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030032012 556489976 /nfs/dbraw/zinc/48/99/76/556489976.db2.gz VEKRSBAZNZTCGC-UHFFFAOYSA-N -1 0 432.864 4.013 50 0 IIAARM COc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000013151323 556492656 /nfs/dbraw/zinc/49/26/56/556492656.db2.gz MVBUFGALYSZUSW-QGZVFWFLSA-N -1 0 427.844 4.032 50 0 IIAARM COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2CC(C)C)cc1 ZINC000013353421 556503043 /nfs/dbraw/zinc/50/30/43/556503043.db2.gz VTGJQPGFKUPRSL-UHFFFAOYSA-N -1 0 440.525 4.039 50 0 IIAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 ZINC000013409066 556505239 /nfs/dbraw/zinc/50/52/39/556505239.db2.gz IEMMDAMQMJQSKO-UHFFFAOYSA-N -1 0 444.516 4.287 50 0 IIAARM O=C(NCCOc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000015555137 556534718 /nfs/dbraw/zinc/53/47/18/556534718.db2.gz PDNXSAXQHVTPJH-UHFFFAOYSA-N -1 0 436.942 4.011 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)NCCCCCC(=O)[O-])CC2 ZINC000013625006 556536690 /nfs/dbraw/zinc/53/66/90/556536690.db2.gz DCOFTHLHAWEHIZ-HSZRJFAPSA-N -1 0 444.503 4.145 50 0 IIAARM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1cccc(Cl)c1 ZINC000022534849 556578303 /nfs/dbraw/zinc/57/83/03/556578303.db2.gz PQFLWGOXBKUHOD-UHFFFAOYSA-N -1 0 448.910 4.169 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(C)cc1Br ZINC000016227115 556593170 /nfs/dbraw/zinc/59/31/70/556593170.db2.gz YVGMLGINYBUAOB-UHFFFAOYSA-N -1 0 432.293 4.255 50 0 IIAARM CCCCn1nc([N-]S(=O)(=O)c2cccc3nonc32)c2cc3cccc(C)c3nc21 ZINC000017014437 556653014 /nfs/dbraw/zinc/65/30/14/556653014.db2.gz ASRNQXVMVISOJS-UHFFFAOYSA-N -1 0 436.497 4.030 50 0 IIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1nnc(C)o1 ZINC000032926298 556655418 /nfs/dbraw/zinc/65/54/18/556655418.db2.gz LKRSZCDLQWFZSC-UHFFFAOYSA-N -1 0 438.303 4.007 50 0 IIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc2sc(NC(=O)c3ccccc3)nc2c(C)c1 ZINC000033007851 556656730 /nfs/dbraw/zinc/65/67/30/556656730.db2.gz NOLZWMXXXHFZSZ-UHFFFAOYSA-N -1 0 442.522 4.263 50 0 IIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017094940 556658048 /nfs/dbraw/zinc/65/80/48/556658048.db2.gz NOAJHLYENAKRDD-SJORKVTESA-N -1 0 426.538 4.445 50 0 IIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017094941 556658082 /nfs/dbraw/zinc/65/80/82/556658082.db2.gz NOAJHLYENAKRDD-IRXDYDNUSA-N -1 0 426.538 4.445 50 0 IIAARM CCOc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCC2 ZINC000017097016 556661020 /nfs/dbraw/zinc/66/10/20/556661020.db2.gz QFTYBAUSDMADIN-UHFFFAOYSA-N -1 0 430.526 4.471 50 0 IIAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)[C@H](C(=O)[O-])C1 ZINC000017097122 556661187 /nfs/dbraw/zinc/66/11/87/556661187.db2.gz BCBBDAMMUJMBBE-IAGOWNOFSA-N -1 0 430.570 4.295 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000011865590 556665293 /nfs/dbraw/zinc/66/52/93/556665293.db2.gz NMKBMEFIWHLSSQ-FQEVSTJZSA-N -1 0 449.434 4.272 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-])occ3-c1ccccc1 ZINC000011865594 556665525 /nfs/dbraw/zinc/66/55/25/556665525.db2.gz FRHOQHQUNDVMPA-FQEVSTJZSA-N -1 0 431.444 4.133 50 0 biogenic IIAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017103068 556667264 /nfs/dbraw/zinc/66/72/64/556667264.db2.gz NXZGRUAULRAGJW-NWDGAFQWSA-N -1 0 439.320 4.426 50 0 IIAARM C[C@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238900480 556681878 /nfs/dbraw/zinc/68/18/78/556681878.db2.gz ITGDFJSZWWNVPR-LNLFQRSKSA-N -1 0 449.503 4.235 50 0 IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013696259 556712144 /nfs/dbraw/zinc/71/21/44/556712144.db2.gz PDNDVPZCXMDBOI-UHFFFAOYSA-N -1 0 448.953 4.414 50 0 IIAARM O=c1[n-]c(CNc2ccc(Br)cc2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000061720722 556728012 /nfs/dbraw/zinc/72/80/12/556728012.db2.gz KMOBTEMLSCQEPJ-UHFFFAOYSA-N -1 0 427.224 4.013 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000019636210 556835011 /nfs/dbraw/zinc/83/50/11/556835011.db2.gz AEBPFNHYDOBBQN-CVEARBPZSA-N -1 0 442.537 4.485 50 0 IIAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)[C@H](C(=O)[O-])C1 ZINC000019636296 556835288 /nfs/dbraw/zinc/83/52/88/556835288.db2.gz DJLWLETXZADIIA-IAGOWNOFSA-N -1 0 442.537 4.146 50 0 IIAARM O=C1CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2N1Cc1ccccc1 ZINC000008840631 556849833 /nfs/dbraw/zinc/84/98/33/556849833.db2.gz KREZZOFJNMOANU-UHFFFAOYSA-N -1 0 428.460 4.245 50 0 IIAARM CN(C)c1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c1 ZINC000033122889 556863913 /nfs/dbraw/zinc/86/39/13/556863913.db2.gz JWGAXMTYXLERDC-UHFFFAOYSA-N -1 0 426.523 4.332 50 0 IIAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000033170638 556886088 /nfs/dbraw/zinc/88/60/88/556886088.db2.gz YGYGSXMBIWASEV-WZUFQYTHSA-N -1 0 445.472 4.060 50 0 IIAARM CCC(C)(CC)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071788150 556888292 /nfs/dbraw/zinc/88/82/92/556888292.db2.gz SYGKUYKLHYQKPL-NRFANRHFSA-N -1 0 439.508 4.490 50 0 IIAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000033253821 556893880 /nfs/dbraw/zinc/89/38/80/556893880.db2.gz PSWGGPONKUKXRT-UHFFFAOYSA-N -1 0 440.521 4.221 50 0 IIAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036359398 556902094 /nfs/dbraw/zinc/90/20/94/556902094.db2.gz RTQKDAOFGLFOSB-NRFANRHFSA-N -1 0 433.464 4.023 50 0 IIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(NC(=O)c3cccs3)c1)C2=O ZINC000019925569 556944666 /nfs/dbraw/zinc/94/46/66/556944666.db2.gz CLJDLLZAKPGJPF-UHFFFAOYSA-N -1 0 426.837 4.153 50 0 IIAARM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000097117234 556991418 /nfs/dbraw/zinc/99/14/18/556991418.db2.gz VLOZCOSHPZXPNG-UHFFFAOYSA-N -1 0 441.484 4.195 50 0 IIAARM COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1OCC(=O)[O-] ZINC000033293444 557076263 /nfs/dbraw/zinc/07/62/63/557076263.db2.gz RUNATZXXFPYQME-LZYBPNLTSA-N -1 0 432.885 4.012 50 0 IIAARM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2sc3ccccc3c2Cl)C1=O ZINC000023947190 557126916 /nfs/dbraw/zinc/12/69/16/557126916.db2.gz OBDLPQVXNXCUJN-OAQYLSRUSA-N -1 0 427.913 4.143 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)c1C ZINC000024747558 557161770 /nfs/dbraw/zinc/16/17/70/557161770.db2.gz PFUGQQHLEJDJER-UHFFFAOYSA-N -1 0 436.493 4.135 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000024926635 557180154 /nfs/dbraw/zinc/18/01/54/557180154.db2.gz DYUNUIUNVBFAFF-UHFFFAOYSA-N -1 0 444.940 4.422 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000100846741 557191645 /nfs/dbraw/zinc/19/16/45/557191645.db2.gz LKNRWHSLEAQZLQ-OAQYLSRUSA-N -1 0 429.505 4.135 50 0 IIAARM O=C(OCc1nnsc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000026241956 557237668 /nfs/dbraw/zinc/23/76/68/557237668.db2.gz QBXUYZFOKGLIPD-UHFFFAOYSA-N -1 0 444.321 4.003 50 0 IIAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000012970421 557264965 /nfs/dbraw/zinc/26/49/65/557264965.db2.gz SAGIISLLYRVYJT-UHFFFAOYSA-N -1 0 435.752 4.092 50 0 IIAARM O=C(c1ccncc1)N(C1=C([O-])N(c2cccc(Cl)c2)C(=O)C1)c1cccc(Cl)c1 ZINC000100756102 557275977 /nfs/dbraw/zinc/27/59/77/557275977.db2.gz IHGWCJCNTAZUQS-LJQANCHMSA-N -1 0 440.286 4.367 50 0 IIAARM Cn1c2ccccc2c([O-])c([C@@H]2c3ccccc3Oc3c4ccccc4n(C)c(=O)c32)c1=O ZINC000100759776 557276021 /nfs/dbraw/zinc/27/60/21/557276021.db2.gz ITFULUCYHTWREB-NRFANRHFSA-N -1 0 436.467 4.382 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccc(F)cc2F)C1 ZINC000101340451 557278895 /nfs/dbraw/zinc/27/88/95/557278895.db2.gz IWGHCUMVCACZTA-KRWDZBQOSA-N -1 0 430.798 4.050 50 0 IIAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723009 557294808 /nfs/dbraw/zinc/29/48/08/557294808.db2.gz KBPDYPYOJYDOTJ-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000101983699 557309737 /nfs/dbraw/zinc/30/97/37/557309737.db2.gz WKSWYLZHOMENCN-MRXNPFEDSA-N -1 0 446.532 4.183 50 0 IIAARM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000101983695 557309836 /nfs/dbraw/zinc/30/98/36/557309836.db2.gz WKSWYLZHOMENCN-INIZCTEOSA-N -1 0 446.532 4.183 50 0 IIAARM CCOc1cc(C(=O)[O-])cc(I)c1OC(=O)c1ccccc1Cl ZINC000220973312 557312809 /nfs/dbraw/zinc/31/28/09/557312809.db2.gz BVAZZMIFJZPTAA-UHFFFAOYSA-N -1 0 446.624 4.261 50 0 IIAARM CC1(C)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC(C)(C)N1O ZINC000104841174 557328726 /nfs/dbraw/zinc/32/87/26/557328726.db2.gz FAQWDTRJLKQJBN-UHFFFAOYSA-N -1 0 437.516 4.347 50 0 IIAARM COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102726837 557369814 /nfs/dbraw/zinc/36/98/14/557369814.db2.gz BFNZJMMKTNKZMB-WXFUMESZSA-N -1 0 444.487 4.063 50 0 IIAARM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000046792893 557512767 /nfs/dbraw/zinc/51/27/67/557512767.db2.gz UMGZMUYZFRHJEZ-UHFFFAOYSA-N -1 0 443.550 4.458 50 0 IIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c(OC)c1OC ZINC000044920116 557540876 /nfs/dbraw/zinc/54/08/76/557540876.db2.gz UQOXNTJHCBYNLH-HNNXBMFYSA-N -1 0 440.427 4.464 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1C ZINC000000851998 557831018 /nfs/dbraw/zinc/83/10/18/557831018.db2.gz KXRNLJXSKOVTAJ-KPKJPENVSA-N -1 0 431.901 4.398 50 0 IIAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C(O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000014128759 557836590 /nfs/dbraw/zinc/83/65/90/557836590.db2.gz OOUCFCQIQLLUSZ-JTDSTZFVSA-N -1 0 442.890 4.293 50 0 IIAARM CCO[C@@]1([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000003095692 557842188 /nfs/dbraw/zinc/84/21/88/557842188.db2.gz WCAIFDMFWJBWMC-IBGZPJMESA-N -1 0 426.321 4.048 50 0 IIAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000241135451 557845958 /nfs/dbraw/zinc/84/59/58/557845958.db2.gz JPKUECXRWBMFHY-NWDGAFQWSA-N -1 0 439.242 4.016 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1C ZINC000006023436 562945945 /nfs/dbraw/zinc/94/59/45/562945945.db2.gz IONLGROWVAPKLI-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Cl ZINC000006075810 562946142 /nfs/dbraw/zinc/94/61/42/562946142.db2.gz XAFFGLMIZMUJEI-UHFFFAOYSA-N -1 0 448.859 4.230 50 0 IIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccccc1F ZINC000008609946 562958028 /nfs/dbraw/zinc/95/80/28/562958028.db2.gz BBRUSNBCZZVKHY-UHFFFAOYSA-N -1 0 426.517 4.464 50 0 aggregator IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005941111 568739069 /nfs/dbraw/zinc/73/90/69/568739069.db2.gz PWZDVNMBRTUMGX-UHFFFAOYSA-N -1 0 440.565 4.195 50 0 IIAARM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)OC1CCC(NC(=O)C(F)(F)F)CC1 ZINC000084098783 568792807 /nfs/dbraw/zinc/79/28/07/568792807.db2.gz FXKLUKSEKTYIAT-UNXYVOJBSA-N -1 0 427.341 4.006 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1C ZINC000015745038 568819663 /nfs/dbraw/zinc/81/96/63/568819663.db2.gz BHMHQYBFQNPJRR-GOSISDBHSA-N -1 0 438.549 4.338 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1cc(C)ccc1OC)CC2 ZINC000015781898 568826181 /nfs/dbraw/zinc/82/61/81/568826181.db2.gz LEAYIFWKXAPCBL-IBGZPJMESA-N -1 0 442.512 4.407 50 0 IIAARM O=C(NCc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006146914 568846211 /nfs/dbraw/zinc/84/62/11/568846211.db2.gz BAIWPGKRPSQHJL-UHFFFAOYSA-N -1 0 436.867 4.349 50 0 IIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000015882224 568856753 /nfs/dbraw/zinc/85/67/53/568856753.db2.gz QYAYICRWODZUBE-UHFFFAOYSA-N -1 0 442.516 4.082 50 0 IIAARM O=C([O-])CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000006181593 568869088 /nfs/dbraw/zinc/86/90/88/568869088.db2.gz IYNCSNWZURWJTA-UHFFFAOYSA-N -1 0 428.215 4.292 50 0 IIAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000064590431 568935219 /nfs/dbraw/zinc/93/52/19/568935219.db2.gz FUDZACUMUQISQE-UHFFFAOYSA-N -1 0 429.520 4.201 50 0 IIAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000064590187 568935282 /nfs/dbraw/zinc/93/52/82/568935282.db2.gz ANEPRFGXZSMKBF-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000064774898 568954100 /nfs/dbraw/zinc/95/41/00/568954100.db2.gz PZEZXGWIFOKNNJ-CQSZACIVSA-N -1 0 437.525 4.020 50 0 IIAARM Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000036365749 569086937 /nfs/dbraw/zinc/08/69/37/569086937.db2.gz RRBVUHXIOGVLOB-YCRPNKLZSA-N -1 0 449.532 4.492 50 0 IIAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccnc3)c2oc1C(=O)N1CCCCC1 ZINC000065010576 569088285 /nfs/dbraw/zinc/08/82/85/569088285.db2.gz QRBATILLDBGUOJ-UHFFFAOYSA-N -1 0 427.526 4.180 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098135 569104459 /nfs/dbraw/zinc/10/44/59/569104459.db2.gz VGLXNEZDWULYNR-UHFFFAOYSA-N -1 0 431.470 4.414 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000065116120 569107176 /nfs/dbraw/zinc/10/71/76/569107176.db2.gz YSSXWLXTJUMRSA-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(Br)cc4)c([O-])c23)C1 ZINC000065150461 569111072 /nfs/dbraw/zinc/11/10/72/569111072.db2.gz YKQDHLZBVYADLB-SECBINFHSA-N -1 0 433.327 4.435 50 0 IIAARM CCOc1ccccc1NC(=O)CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000016848481 569164236 /nfs/dbraw/zinc/16/42/36/569164236.db2.gz RAUAAAOSCFDOIP-UHFFFAOYSA-N -1 0 449.529 4.053 50 0 IIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CC[C@@H](C)C2 ZINC000017096057 569173186 /nfs/dbraw/zinc/17/31/86/569173186.db2.gz VSGQYJJJBFYKBC-HUUCEWRRSA-N -1 0 428.554 4.242 50 0 IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCCC[C@H]4C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002098203 569179445 /nfs/dbraw/zinc/17/94/45/569179445.db2.gz WUYWBORIAJSGPH-IBGZPJMESA-N -1 0 425.481 4.171 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002102812 569179899 /nfs/dbraw/zinc/17/98/99/569179899.db2.gz DDZVSEBJMLNSAQ-NRFANRHFSA-N -1 0 447.487 4.209 50 0 biogenic IIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002118110 569182665 /nfs/dbraw/zinc/18/26/65/569182665.db2.gz BPFBZNTZMXYZSD-UHFFFAOYSA-N -1 0 439.508 4.319 50 0 biogenic IIAARM COc1ccc2nccc(C(=O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)[O-])c2c1 ZINC000095698924 569258606 /nfs/dbraw/zinc/25/86/06/569258606.db2.gz MTHLFOFHOIQTNI-BEFAXECRSA-N -1 0 442.512 4.164 50 0 IIAARM COc1ccc2occ([C@H]3CC(=O)Oc4ccc(C(=O)c5ccccc5)c([O-])c43)c(=O)c2c1 ZINC000253410909 569265756 /nfs/dbraw/zinc/26/57/56/569265756.db2.gz NXXJENFMZZUNHR-QGZVFWFLSA-N -1 0 442.423 4.179 50 0 biogenic IIAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000002417954 569301643 /nfs/dbraw/zinc/30/16/43/569301643.db2.gz KUSNJMJTTHZZMZ-NJYVYQBISA-N -1 0 448.862 4.089 50 0 IIAARM Cc1ccc(-c2noc(COC(=O)c3nn(-c4ccccc4C(F)(F)F)cc3[O-])n2)cc1 ZINC000013102679 569310116 /nfs/dbraw/zinc/31/01/16/569310116.db2.gz VDYJXECGBAZRJS-UHFFFAOYSA-N -1 0 444.369 4.312 50 0 IIAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000020215996 569356696 /nfs/dbraw/zinc/35/66/96/569356696.db2.gz OCLDGEDFOAWLNV-LJQANCHMSA-N -1 0 439.972 4.370 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330499 569360764 /nfs/dbraw/zinc/36/07/64/569360764.db2.gz DJCKGFVWCCOBML-CQSZACIVSA-N -1 0 436.537 4.207 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N4CCC[C@H](C)C4)c3=O)c2c1 ZINC000020329162 569360838 /nfs/dbraw/zinc/36/08/38/569360838.db2.gz FIVMVPKADUOXRH-HNNXBMFYSA-N -1 0 442.585 4.368 50 0 IIAARM O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1cccc(Br)c1 ZINC000095463876 569370432 /nfs/dbraw/zinc/37/04/32/569370432.db2.gz VWLWQWJAOCAIPN-OAHLLOKOSA-N -1 0 433.233 4.189 50 0 IIAARM COC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113802 569382621 /nfs/dbraw/zinc/38/26/21/569382621.db2.gz NVNMXUOOBLMESI-IBGZPJMESA-N -1 0 432.428 4.272 50 0 biogenic IIAARM Cc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(Br)o2)cc1C ZINC000096286814 569390187 /nfs/dbraw/zinc/39/01/87/569390187.db2.gz FXWZTAVPKJYOLF-UHFFFAOYSA-N -1 0 438.281 4.420 50 0 IIAARM O=C([O-])c1ccc(CNC(=O)CSc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000002479642 569404604 /nfs/dbraw/zinc/40/46/04/569404604.db2.gz IHJJFMZEQXVQQF-UHFFFAOYSA-N -1 0 429.501 4.404 50 0 IIAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)N1CCN(c2ccccc2)CC1 ZINC000002925560 569425620 /nfs/dbraw/zinc/42/56/20/569425620.db2.gz TUTFJINUUGMCNV-UHFFFAOYSA-N -1 0 442.610 4.030 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C)c2)cc1 ZINC000003137151 569440815 /nfs/dbraw/zinc/44/08/15/569440815.db2.gz NBXVUYMDIIZUKS-UHFFFAOYSA-N -1 0 447.520 4.441 50 0 IIAARM CN(C)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000003171334 569441210 /nfs/dbraw/zinc/44/12/10/569441210.db2.gz GVHRTBFOTJRMQP-UHFFFAOYSA-N -1 0 425.539 4.302 50 0 IIAARM Cc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000003283011 569443933 /nfs/dbraw/zinc/44/39/33/569443933.db2.gz PNNKOCKPFMSTPQ-UHFFFAOYSA-N -1 0 448.504 4.254 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC)c1 ZINC000003306283 569445232 /nfs/dbraw/zinc/44/52/32/569445232.db2.gz LECIJCYDKGPOKA-UHFFFAOYSA-N -1 0 428.535 4.470 50 0 IIAARM COc1cc(/C=C/C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000058139739 569448525 /nfs/dbraw/zinc/44/85/25/569448525.db2.gz CBIYPQFYMATGAN-OUKQBFOZSA-N -1 0 438.505 4.157 50 0 IIAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)ccc1O ZINC000217745878 569452547 /nfs/dbraw/zinc/45/25/47/569452547.db2.gz XTVYFCLFUXDYBA-HNNXBMFYSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694583 569470097 /nfs/dbraw/zinc/47/00/97/569470097.db2.gz OSFDMLXZXFHOSK-XMSQKQJNSA-N -1 0 444.318 4.178 50 0 IIAARM Cc1ccc(N2C(=O)CC(N3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)=C2[O-])cc1 ZINC000008741964 569472985 /nfs/dbraw/zinc/47/29/85/569472985.db2.gz NEICUGHFAJPPPA-FCNRDGCESA-N -1 0 426.881 4.017 50 0 IIAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008836396 569478060 /nfs/dbraw/zinc/47/80/60/569478060.db2.gz APAKCIWDJSJUAJ-UHFFFAOYSA-N -1 0 438.484 4.190 50 0 IIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000008977258 569492954 /nfs/dbraw/zinc/49/29/54/569492954.db2.gz ZLQRSQIPCSLSGI-UHFFFAOYSA-N -1 0 432.954 4.401 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1 ZINC000009002288 569496073 /nfs/dbraw/zinc/49/60/73/569496073.db2.gz IZQOUBLHHWNXCF-UHFFFAOYSA-N -1 0 445.518 4.098 50 0 IIAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000009116890 569503003 /nfs/dbraw/zinc/50/30/03/569503003.db2.gz GHONKMQKYNXSLV-UHFFFAOYSA-N -1 0 447.925 4.311 50 0 IIAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 ZINC000009120018 569503685 /nfs/dbraw/zinc/50/36/85/569503685.db2.gz PMEPSBCBTIKJNB-UHFFFAOYSA-N -1 0 440.283 4.115 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009120540 569503894 /nfs/dbraw/zinc/50/38/94/569503894.db2.gz YPKBZSJPLQJUTG-UHFFFAOYSA-N -1 0 446.912 4.167 50 0 IIAARM CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1 ZINC000040450680 569506434 /nfs/dbraw/zinc/50/64/34/569506434.db2.gz KGBRCOKPNGOBPE-GFCCVEGCSA-N -1 0 437.359 4.110 50 0 IIAARM CCCN1c2cc([N-]S(=O)(=O)c3cc(CC)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009172235 569509458 /nfs/dbraw/zinc/50/94/58/569509458.db2.gz KDPGTGDULKXKFL-UHFFFAOYSA-N -1 0 446.569 4.220 50 0 IIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(-c2ccno2)cc1 ZINC000009228213 569513561 /nfs/dbraw/zinc/51/35/61/569513561.db2.gz PHRAPVPTDCWCMU-UHFFFAOYSA-N -1 0 425.466 4.423 50 0 IIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000009300227 569520604 /nfs/dbraw/zinc/52/06/04/569520604.db2.gz XSKPFAPYLJWVLN-UHFFFAOYSA-N -1 0 430.913 4.316 50 0 IIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000009300239 569520669 /nfs/dbraw/zinc/52/06/69/569520669.db2.gz KHGFSJTZICJMIP-UHFFFAOYSA-N -1 0 434.876 4.146 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCCSc2nc3ccccc3s2)c1 ZINC000009388757 569528565 /nfs/dbraw/zinc/52/85/65/569528565.db2.gz PQKCRWTZBJYPJC-UHFFFAOYSA-N -1 0 436.580 4.307 50 0 IIAARM Cc1coc2cc3oc(=O)c(CC(=O)NCC4(CC(=O)[O-])CCCCC4)c(C)c3cc12 ZINC000009418442 569532425 /nfs/dbraw/zinc/53/24/25/569532425.db2.gz FFYSYGAUWSOPFZ-UHFFFAOYSA-N -1 0 425.481 4.240 50 0 IIAARM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cccc4ccccc43)[n-]c2=O)cc1 ZINC000009518179 569543930 /nfs/dbraw/zinc/54/39/30/569543930.db2.gz POXNEXMFQIVTQD-UHFFFAOYSA-N -1 0 446.532 4.449 50 0 IIAARM Cc1ccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)cc1Cl ZINC000009761977 569566379 /nfs/dbraw/zinc/56/63/79/569566379.db2.gz LRQBFZRWWSRDTE-UHFFFAOYSA-N -1 0 430.338 4.144 50 0 IIAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000009762000 569566437 /nfs/dbraw/zinc/56/64/37/569566437.db2.gz KJPQSEYPOXKSSY-UHFFFAOYSA-N -1 0 449.863 4.201 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000010273256 569580230 /nfs/dbraw/zinc/58/02/30/569580230.db2.gz FTKDWKUWSFBEAD-RTBURBONSA-N -1 0 435.871 4.105 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000627094 132227901 /nfs/dbraw/zinc/22/79/01/132227901.db2.gz RNFJMPQXXDPAJR-FCHUYYIVSA-N -1 0 439.943 4.272 50 0 IIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438875 132281940 /nfs/dbraw/zinc/28/19/40/132281940.db2.gz UHYVKCFGCZBJQD-YADHBBJMSA-N -1 0 441.959 4.496 50 0 IIAARM CC(C)c1cc(Br)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783082 519831097 /nfs/dbraw/zinc/83/10/97/519831097.db2.gz KKIJMLQPWXFSQA-ZFWWWQNUSA-N -1 0 428.323 4.414 50 0 IIAARM CC(C)c1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000035397356 519838704 /nfs/dbraw/zinc/83/87/04/519838704.db2.gz OTFXSWREIIFUIJ-UHFFFAOYSA-N -1 0 439.537 4.340 50 0 IIAARM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4ccccc4F)c3)nn2)CC1 ZINC000020554815 521039386 /nfs/dbraw/zinc/03/93/86/521039386.db2.gz LKHDDIGITAPVKS-UHFFFAOYSA-N -1 0 426.517 4.320 50 0 IIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557476 521521088 /nfs/dbraw/zinc/52/10/88/521521088.db2.gz IRRCCFDBYCIYNV-UHFFFAOYSA-N -1 0 447.538 4.433 50 0 IIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019638404 521767870 /nfs/dbraw/zinc/76/78/70/521767870.db2.gz KRYNIABVMOXGHP-HOTGVXAUSA-N -1 0 443.521 4.138 50 0 IIAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c2)no1 ZINC000021702102 522152611 /nfs/dbraw/zinc/15/26/11/522152611.db2.gz YUJVHPQPSKDMPC-UHFFFAOYSA-N -1 0 428.333 4.232 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000021757269 522188453 /nfs/dbraw/zinc/18/84/53/522188453.db2.gz HYLQODUYBGDOER-UHFFFAOYSA-N -1 0 438.553 4.170 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1Cl ZINC000020990140 522815403 /nfs/dbraw/zinc/81/54/03/522815403.db2.gz XZLQNCDOIPGVNE-UHFFFAOYSA-N -1 0 448.928 4.467 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017098108 523715786 /nfs/dbraw/zinc/71/57/86/523715786.db2.gz FPNWZPLAVVKTCI-PCHAPFSGSA-N -1 0 432.586 4.367 50 0 IIAARM Cc1ccc(CSCCNC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)cc1 ZINC000012583518 524646175 /nfs/dbraw/zinc/64/61/75/524646175.db2.gz HXOFTUWKHNPAPN-UHFFFAOYSA-N -1 0 428.579 4.183 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1OC ZINC000035557326 524686679 /nfs/dbraw/zinc/68/66/79/524686679.db2.gz LDSOLLOLLPLENN-UHFFFAOYSA-N -1 0 435.527 4.274 50 0 IIAARM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000020982469 525666677 /nfs/dbraw/zinc/66/66/77/525666677.db2.gz LYLNHOFLRKYBNF-INIZCTEOSA-N -1 0 442.566 4.014 50 0 IIAARM Cc1ccc(-c2nc(SCC(=O)NC(C)(C)C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112504 525818145 /nfs/dbraw/zinc/81/81/45/525818145.db2.gz VWCUTGVEFUNAHL-UHFFFAOYSA-N -1 0 443.594 4.225 50 0 IIAARM COc1cccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1 ZINC000015862068 525832986 /nfs/dbraw/zinc/83/29/86/525832986.db2.gz VMWJLIRXXKLJEJ-UHFFFAOYSA-N -1 0 439.518 4.358 50 0 IIAARM C[C@@H](Sc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1)C(=O)[O-] ZINC000016474664 526013237 /nfs/dbraw/zinc/01/32/37/526013237.db2.gz SYGLADDXQDSLIL-CYBMUJFWSA-N -1 0 448.342 4.233 50 0 IIAARM CSc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1 ZINC000020989936 526138546 /nfs/dbraw/zinc/13/85/46/526138546.db2.gz TXLUFZPQMPRVMG-UHFFFAOYSA-N -1 0 435.615 4.181 50 0 IIAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000012740998 526179476 /nfs/dbraw/zinc/17/94/76/526179476.db2.gz VGLHKBJCBYVORG-UHFFFAOYSA-N -1 0 442.349 4.062 50 0 IIAARM O=C([O-])c1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)cc1 ZINC000035476607 526379797 /nfs/dbraw/zinc/37/97/97/526379797.db2.gz NBEQMTJNRSGAQM-UHFFFAOYSA-N -1 0 425.242 4.306 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)c1C ZINC000000633159 555515784 /nfs/dbraw/zinc/51/57/84/555515784.db2.gz AVYBRKHQNKSASQ-UHFFFAOYSA-N -1 0 449.916 4.072 50 0 IIAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1OCC(N)=O ZINC000000645294 555520200 /nfs/dbraw/zinc/52/02/00/555520200.db2.gz CCDRRCHFDYIAGX-UHFFFAOYSA-N -1 0 446.912 4.106 50 0 IIAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000676843 555535215 /nfs/dbraw/zinc/53/52/15/555535215.db2.gz KVOITWAARPPUJP-OAHLLOKOSA-N -1 0 445.566 4.475 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001032106 555606253 /nfs/dbraw/zinc/60/62/53/555606253.db2.gz QBINOARFWFUSPN-UHFFFAOYSA-N -1 0 432.505 4.358 50 0 IIAARM O=C(CS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000001039498 555609400 /nfs/dbraw/zinc/60/94/00/555609400.db2.gz ZVKYBCZFAWOTCX-UHFFFAOYSA-N -1 0 426.338 4.105 50 0 IIAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002425356 555777994 /nfs/dbraw/zinc/77/79/94/555777994.db2.gz NBACYXKSIBWUBF-UHFFFAOYSA-N -1 0 441.340 4.186 50 0 IIAARM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000002827276 555831514 /nfs/dbraw/zinc/83/15/14/555831514.db2.gz BPJNXTQWSDACBJ-ODLFYWEKSA-N -1 0 427.478 4.094 50 0 IIAARM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002859043 555843279 /nfs/dbraw/zinc/84/32/79/555843279.db2.gz VNXAHXTZXYEPOG-UHFFFAOYSA-N -1 0 442.971 4.312 50 0 IIAARM CCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002905407 555861330 /nfs/dbraw/zinc/86/13/30/555861330.db2.gz ZPIOCPOQJINRTL-CQSZACIVSA-N -1 0 440.780 4.064 50 0 IIAARM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(NC(=O)[C@H](C)Oc2ccccc2)cc(C(=O)[O-])c1 ZINC000004641915 556004850 /nfs/dbraw/zinc/00/48/50/556004850.db2.gz HYIGHJVCCGOPLL-CALCHBBNSA-N -1 0 448.475 4.197 50 0 IIAARM CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000004662499 556005704 /nfs/dbraw/zinc/00/57/04/556005704.db2.gz UCJWPLQWDAAVMD-FZCLSBEQSA-N -1 0 443.521 4.025 50 0 IIAARM O=C(NCCc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000006270586 556083184 /nfs/dbraw/zinc/08/31/84/556083184.db2.gz NBLXTIGEXHZSCX-UHFFFAOYSA-N -1 0 431.517 4.008 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000002709306 556124828 /nfs/dbraw/zinc/12/48/28/556124828.db2.gz XCFNHQLPKGGVKW-UHFFFAOYSA-N -1 0 437.308 4.145 50 0 IIAARM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008722867 556203699 /nfs/dbraw/zinc/20/36/99/556203699.db2.gz QWHWAWJDUAGCED-LBPRGKRZSA-N -1 0 437.930 4.003 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1)occ3-c1ccccc1 ZINC000008764435 556212019 /nfs/dbraw/zinc/21/20/19/556212019.db2.gz HRIBDGCNTYJMTA-KRWDZBQOSA-N -1 0 445.471 4.380 50 0 biogenic IIAARM CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000008845881 556226806 /nfs/dbraw/zinc/22/68/06/556226806.db2.gz IKKCZEJEQIAUFZ-UHFFFAOYSA-N -1 0 440.399 4.421 50 0 IIAARM Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000009296076 556275275 /nfs/dbraw/zinc/27/52/75/556275275.db2.gz LOJPXWSXDPFRSZ-WQRHYEAKSA-N -1 0 447.896 4.227 50 0 IIAARM Cc1[n-]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000009427222 556290920 /nfs/dbraw/zinc/29/09/20/556290920.db2.gz STYOUHZNCWXEET-UHFFFAOYSA-N -1 0 449.927 4.332 50 0 IIAARM CN(Cc1ccccc1)C(=O)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013723282 556291602 /nfs/dbraw/zinc/29/16/02/556291602.db2.gz BHFGYKYWESJXHF-UHFFFAOYSA-N -1 0 437.546 4.369 50 0 IIAARM CCc1c([O-])nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)c1=O ZINC000010034987 556322755 /nfs/dbraw/zinc/32/27/55/556322755.db2.gz NAJUCUALPXGDNB-CYBMUJFWSA-N -1 0 429.929 4.273 50 0 IIAARM COc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccc(Br)o4)ns3)no2)cc1 ZINC000028293761 556451089 /nfs/dbraw/zinc/45/10/89/556451089.db2.gz AKDSTVAGYZCDCG-UHFFFAOYSA-N -1 0 447.270 4.477 50 0 IIAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000013265205 556501158 /nfs/dbraw/zinc/50/11/58/556501158.db2.gz VMSSWRADAXGSSE-HXUWFJFHSA-N -1 0 447.553 4.246 50 0 IIAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000015545278 556533672 /nfs/dbraw/zinc/53/36/72/556533672.db2.gz UBBYOEXINZEKFY-UHFFFAOYSA-N -1 0 442.850 4.364 50 0 IIAARM CCc1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)n(C2CCCCC2)c1=O ZINC000013635546 556540780 /nfs/dbraw/zinc/54/07/80/556540780.db2.gz AAFMLKQWFWNBFF-UHFFFAOYSA-N -1 0 444.582 4.357 50 0 IIAARM COc1ccc(N2C(=O)NC(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1 ZINC000015945157 556566631 /nfs/dbraw/zinc/56/66/31/556566631.db2.gz QLQYQWLBLUUPHF-HMAPJEAMSA-N -1 0 444.443 4.070 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000016383541 556604014 /nfs/dbraw/zinc/60/40/14/556604014.db2.gz BSHKKKCEUWJOON-HZPDHXFCSA-N -1 0 428.282 4.286 50 0 IIAARM CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017094935 556658061 /nfs/dbraw/zinc/65/80/61/556658061.db2.gz MUTNEVJPMSBXMB-IAGOWNOFSA-N -1 0 426.538 4.462 50 0 IIAARM COc1ccc(CN(CCC(=O)[O-])C(=O)c2ccncc2)cc1-c1ccc(C(C)=O)cc1 ZINC000044126443 556666045 /nfs/dbraw/zinc/66/60/45/556666045.db2.gz DXTBVDHREKBSLB-UHFFFAOYSA-N -1 0 432.476 4.077 50 0 IIAARM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(F)c1Cl ZINC000072312865 556687894 /nfs/dbraw/zinc/68/78/94/556687894.db2.gz WFUOIFPWGCIZJD-UHFFFAOYSA-N -1 0 428.766 4.396 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc(OC)c1O ZINC000061719831 556726820 /nfs/dbraw/zinc/72/68/20/556726820.db2.gz IQHDQKILZFXXLO-CYBMUJFWSA-N -1 0 443.452 4.449 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000019636263 556835309 /nfs/dbraw/zinc/83/53/09/556835309.db2.gz CIHSSMSITUMPGT-UONOGXRCSA-N -1 0 442.537 4.327 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCN(c2ccccn2)CC1 ZINC000033078621 556853779 /nfs/dbraw/zinc/85/37/79/556853779.db2.gz ZZHZVOTULOEPOW-UHFFFAOYSA-N -1 0 436.899 4.012 50 0 IIAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc2s1 ZINC000033116455 556862125 /nfs/dbraw/zinc/86/21/25/556862125.db2.gz DDFVRFQDYHREHN-UHFFFAOYSA-N -1 0 446.373 4.270 50 0 IIAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000033170649 556886204 /nfs/dbraw/zinc/88/62/04/556886204.db2.gz QVAUCUKTFVAREE-BENRWUELSA-N -1 0 441.509 4.230 50 0 IIAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253325 556893521 /nfs/dbraw/zinc/89/35/21/556893521.db2.gz QEVGDILGTWKPET-UHFFFAOYSA-N -1 0 428.485 4.351 50 0 IIAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000033253474 556893761 /nfs/dbraw/zinc/89/37/61/556893761.db2.gz LMGNEFXMPQDSNP-UHFFFAOYSA-N -1 0 428.485 4.270 50 0 IIAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1Cl ZINC000033253889 556894284 /nfs/dbraw/zinc/89/42/84/556894284.db2.gz OTZDGSFMSSUSKI-UHFFFAOYSA-N -1 0 438.933 4.084 50 0 IIAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000020323910 557007686 /nfs/dbraw/zinc/00/76/86/557007686.db2.gz UNUDRDOBKUXYCQ-GHVJWSGMSA-N -1 0 433.552 4.341 50 0 IIAARM CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)cc(Br)c2[O-])C(=O)O1 ZINC000001405977 557019696 /nfs/dbraw/zinc/01/96/96/557019696.db2.gz FFDHEVKMAZRMPJ-UHFFFAOYSA-N -1 0 448.107 4.163 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053565 557026470 /nfs/dbraw/zinc/02/64/70/557026470.db2.gz AYJUFFMDBBRMSH-UHFFFAOYSA-N -1 0 434.540 4.365 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(OC)c2)cc1 ZINC000017198324 557040268 /nfs/dbraw/zinc/04/02/68/557040268.db2.gz ILAPEOHSPNDZLU-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM O=C(/C=C/c1cc2ccccc2o1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000024747265 557132880 /nfs/dbraw/zinc/13/28/80/557132880.db2.gz YXFMLURBGQNUSN-JXMROGBWSA-N -1 0 425.491 4.342 50 0 IIAARM Cc1ccc(CNC(=O)CSc2nnc(Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1 ZINC000024747008 557161386 /nfs/dbraw/zinc/16/13/86/557161386.db2.gz SUNPSBMXUUERFY-UHFFFAOYSA-N -1 0 436.581 4.182 50 0 IIAARM O=C([O-])c1ccc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000309577017 557223960 /nfs/dbraw/zinc/22/39/60/557223960.db2.gz MYABEGSMNVFJPC-UHFFFAOYSA-N -1 0 442.515 4.452 50 0 IIAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c([O-])c3cccnc32)c1 ZINC000101722164 557294595 /nfs/dbraw/zinc/29/45/95/557294595.db2.gz MIPSJMADHTTZBI-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4cccc(C(F)(F)F)c4)nn3c2=O)cc1 ZINC000101802908 557299084 /nfs/dbraw/zinc/29/90/84/557299084.db2.gz MNADITPCUFAOOZ-UHFFFAOYSA-N -1 0 427.430 4.256 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(Cl)cc1Cl ZINC000013148154 557300485 /nfs/dbraw/zinc/30/04/85/557300485.db2.gz QQUWUZAIVAXYPZ-UHFFFAOYSA-N -1 0 443.077 4.394 50 0 IIAARM CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1nc2ccccc2[nH]1 ZINC000102783813 557387824 /nfs/dbraw/zinc/38/78/24/557387824.db2.gz FXJWJXQCWZKHEK-BFUOFWGJSA-N -1 0 435.553 4.099 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000102820910 557393758 /nfs/dbraw/zinc/39/37/58/557393758.db2.gz UJSRGMPGXABYCU-IBGZPJMESA-N -1 0 438.871 4.171 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000102820908 557393817 /nfs/dbraw/zinc/39/38/17/557393817.db2.gz UJSRGMPGXABYCU-LJQANCHMSA-N -1 0 438.871 4.171 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2nsnc2c1)c1ccccc1 ZINC000003169296 557531934 /nfs/dbraw/zinc/53/19/34/557531934.db2.gz PPYSOZGTWZEGQL-UHFFFAOYSA-N -1 0 434.506 4.179 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc(OC)c1O ZINC000044919806 557540907 /nfs/dbraw/zinc/54/09/07/557540907.db2.gz JIGPXECUHWZCJH-CQSZACIVSA-N -1 0 426.400 4.161 50 0 IIAARM O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)Nc1nnc(CCc2ccccc2)s1 ZINC000002477164 562928193 /nfs/dbraw/zinc/92/81/93/562928193.db2.gz OMWMLWRHUIHMQO-MRXNPFEDSA-N -1 0 448.470 4.072 50 0 aggregator IIAARM O=C([O-])/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000013113303 562984509 /nfs/dbraw/zinc/98/45/09/562984509.db2.gz ANJOWTJQBCGYTR-KAMYIIQDSA-N -1 0 431.457 4.177 50 0 IIAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cccnc3)CC(=O)O4)c2=O)cc1OC ZINC000263585804 568759239 /nfs/dbraw/zinc/75/92/39/568759239.db2.gz MULJLXNLDVSDMO-OAHLLOKOSA-N -1 0 445.427 4.019 50 0 biogenic IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000006116385 568828480 /nfs/dbraw/zinc/82/84/80/568828480.db2.gz OGBYLXMAFWODNT-HOTGVXAUSA-N -1 0 438.340 4.103 50 0 IIAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000006140208 568845193 /nfs/dbraw/zinc/84/51/93/568845193.db2.gz SHNZTQBJJRSAKA-UHFFFAOYSA-N -1 0 446.326 4.206 50 0 IIAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000015864536 568850108 /nfs/dbraw/zinc/85/01/08/568850108.db2.gz FYRFMRQPIOCHPL-UHFFFAOYSA-N -1 0 429.878 4.290 50 0 IIAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1cccs1 ZINC000090607325 568889848 /nfs/dbraw/zinc/88/98/48/568889848.db2.gz SFAUDFATKXXISN-MRXNPFEDSA-N -1 0 438.505 4.127 50 0 IIAARM O=C([O-])C[C@H](CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1cccs1 ZINC000090607324 568889899 /nfs/dbraw/zinc/88/98/99/568889899.db2.gz SFAUDFATKXXISN-INIZCTEOSA-N -1 0 438.505 4.127 50 0 IIAARM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524729396 568903900 /nfs/dbraw/zinc/90/39/00/568903900.db2.gz RPEMQGXRPSNPLZ-HNNXBMFYSA-N -1 0 428.396 4.335 50 0 biogenic IIAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245240059 568913286 /nfs/dbraw/zinc/91/32/86/568913286.db2.gz KUSNJMJTTHZZMZ-HBMCJLEFSA-N -1 0 448.862 4.089 50 0 IIAARM CCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000016567374 568922259 /nfs/dbraw/zinc/92/22/59/568922259.db2.gz ITYFRRAFZZWSOP-ODLFYWEKSA-N -1 0 440.862 4.026 50 0 IIAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589807 568935244 /nfs/dbraw/zinc/93/52/44/568935244.db2.gz OAQYPLBHPXRMJW-UHFFFAOYSA-N -1 0 425.529 4.095 50 0 IIAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C[C@H](C)O1 ZINC000016689791 568938311 /nfs/dbraw/zinc/93/83/11/568938311.db2.gz VBUOBYPBOLJFIT-IIYDPXPESA-N -1 0 428.489 4.094 50 0 IIAARM COC(=O)c1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1 ZINC000064797102 568960727 /nfs/dbraw/zinc/96/07/27/568960727.db2.gz CTODMOHQKDCNHE-MRXNPFEDSA-N -1 0 437.473 4.383 50 0 IIAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000064820334 568967111 /nfs/dbraw/zinc/96/71/11/568967111.db2.gz FGDDXEDBQDTDFN-MRXNPFEDSA-N -1 0 430.888 4.070 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1Cl ZINC000064947272 568995085 /nfs/dbraw/zinc/99/50/85/568995085.db2.gz BRFRNUBSSJNHCM-UHFFFAOYSA-N -1 0 439.896 4.100 50 0 IIAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@]21C(=O)Nc2cc(F)ccc21 ZINC000036354841 569084197 /nfs/dbraw/zinc/08/41/97/569084197.db2.gz CGGRJBLPVSRCMK-NRFANRHFSA-N -1 0 442.855 4.486 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000065115943 569106986 /nfs/dbraw/zinc/10/69/86/569106986.db2.gz DDPIGAGTUYRICM-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000065115922 569106994 /nfs/dbraw/zinc/10/69/94/569106994.db2.gz KAKODSSKQHWURZ-UHFFFAOYSA-N -1 0 435.889 4.071 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000065115984 569107003 /nfs/dbraw/zinc/10/70/03/569107003.db2.gz BZLOPPBDWXPPKN-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM CCOc1ccc(OCC)c(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)c1 ZINC000065150471 569111038 /nfs/dbraw/zinc/11/10/38/569111038.db2.gz HLAGXFIDCJJISU-LBPRGKRZSA-N -1 0 442.537 4.470 50 0 IIAARM O=C(c1cc(S(=O)(=O)[N-]c2sc(C3CC3)nc2-c2ccccc2)c[nH]1)N1CCCC1 ZINC000089851075 569166253 /nfs/dbraw/zinc/16/62/53/569166253.db2.gz DQQXUTLTIARCGT-UHFFFAOYSA-N -1 0 442.566 4.052 50 0 IIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000016960149 569168018 /nfs/dbraw/zinc/16/80/18/569168018.db2.gz ZCNNWGSAWPGXQV-UHFFFAOYSA-N -1 0 446.525 4.290 50 0 IIAARM O=C(Nc1cccc(C(F)(F)F)c1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017155255 569175000 /nfs/dbraw/zinc/17/50/00/569175000.db2.gz AZCTYTKYYDJKBW-UHFFFAOYSA-N -1 0 439.390 4.293 50 0 IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NCc4ccc(F)cc4)cc3[n-]c2=S)cc1 ZINC000001135694 569176808 /nfs/dbraw/zinc/17/68/08/569176808.db2.gz YZCSJYBXBFEJMW-UHFFFAOYSA-N -1 0 449.507 4.185 50 0 IIAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCC4CCC(C(=O)[O-])CC4)c(C)c3cc12 ZINC000002107053 569181149 /nfs/dbraw/zinc/18/11/49/569181149.db2.gz HEYIZHCGTGBHPZ-UHFFFAOYSA-N -1 0 425.481 4.096 50 0 biogenic IIAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002125744 569183995 /nfs/dbraw/zinc/18/39/95/569183995.db2.gz IZPTYXSZGXMMQY-SFHVURJKSA-N -1 0 427.497 4.366 50 0 biogenic IIAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000002138123 569185352 /nfs/dbraw/zinc/18/53/52/569185352.db2.gz XCTSBBVUEIYXIA-GMAHTHKFSA-N -1 0 437.455 4.349 50 0 biogenic IIAARM CCCCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[n-]c1=S ZINC000003630042 569211901 /nfs/dbraw/zinc/21/19/01/569211901.db2.gz MUEQAAUERYJNMS-UHFFFAOYSA-N -1 0 436.581 4.212 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Br)cc2Br)s1 ZINC000095457194 569368949 /nfs/dbraw/zinc/36/89/49/569368949.db2.gz BXJXKMGGHVGXMD-UHFFFAOYSA-N -1 0 426.155 4.086 50 0 IIAARM Cc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4sccc4[n-]c3=S)cc2)cc1 ZINC000002932611 569426250 /nfs/dbraw/zinc/42/62/50/569426250.db2.gz CGSCVFYJSRHOEC-UHFFFAOYSA-N -1 0 435.574 4.450 50 0 IIAARM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccsc2)CC(=O)O4)cc1O ZINC000217670102 569451256 /nfs/dbraw/zinc/45/12/56/569451256.db2.gz HHLNLDQUCMUJNT-CYBMUJFWSA-N -1 0 436.441 4.382 50 0 biogenic IIAARM Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc(=O)oc2c1 ZINC000003511463 569452971 /nfs/dbraw/zinc/45/29/71/569452971.db2.gz VZEQYQAOJWARBT-UHFFFAOYSA-N -1 0 449.484 4.259 50 0 IIAARM CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000004018858 569458188 /nfs/dbraw/zinc/45/81/88/569458188.db2.gz TYIPEKZPGLUGMN-UHFFFAOYSA-N -1 0 444.896 4.116 50 0 IIAARM COc1ccc(NC(=O)CCc2cccs2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008725721 569472249 /nfs/dbraw/zinc/47/22/49/569472249.db2.gz XMQCDRGLEBVHSK-UHFFFAOYSA-N -1 0 434.514 4.268 50 0 IIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c1OC ZINC000040283828 569497890 /nfs/dbraw/zinc/49/78/90/569497890.db2.gz GPQCTDKNUPGYIG-HNNXBMFYSA-N -1 0 440.427 4.464 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccc1OC(F)(F)F ZINC000040287338 569498214 /nfs/dbraw/zinc/49/82/14/569498214.db2.gz WETWDLADELAXJG-SFHVURJKSA-N -1 0 446.385 4.186 50 0 IIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000009116225 569502941 /nfs/dbraw/zinc/50/29/41/569502941.db2.gz NXFDPEHDUVCJRV-UHFFFAOYSA-N -1 0 426.338 4.483 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000009126857 569505074 /nfs/dbraw/zinc/50/50/74/569505074.db2.gz XDBPXPYIAVFXHP-UHFFFAOYSA-N -1 0 448.859 4.261 50 0 IIAARM Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1C ZINC000040450418 569506309 /nfs/dbraw/zinc/50/63/09/569506309.db2.gz AWKCZSXHCNWGCV-UHFFFAOYSA-N -1 0 449.370 4.166 50 0 IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000040454551 569506463 /nfs/dbraw/zinc/50/64/63/569506463.db2.gz BLWDKDTYEJITJL-UHFFFAOYSA-N -1 0 437.359 4.166 50 0 IIAARM CC(C)CN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009172682 569509570 /nfs/dbraw/zinc/50/95/70/569509570.db2.gz OVDATEXJTFEQHJ-UHFFFAOYSA-N -1 0 438.496 4.173 50 0 IIAARM O=C([O-])C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)CC(C2=Cc3ccccc3OC2)=NO1 ZINC000009409767 569531143 /nfs/dbraw/zinc/53/11/43/569531143.db2.gz RXCHWOBVKIRCPR-OAQYLSRUSA-N -1 0 447.274 4.398 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000009444290 569535743 /nfs/dbraw/zinc/53/57/43/569535743.db2.gz JMEGONBGXXPXEN-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM CCn1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c2cc3ccc(C)cc3nc21 ZINC000009446553 569535951 /nfs/dbraw/zinc/53/59/51/569535951.db2.gz PXOQAGKEPQPRGQ-UHFFFAOYSA-N -1 0 445.342 4.476 50 0 IIAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009794346 569568381 /nfs/dbraw/zinc/56/83/81/569568381.db2.gz XNWXSPAKAAHJPN-UHFFFAOYSA-N -1 0 438.505 4.209 50 0 IIAARM C[C@H]1Cc2ccccc2N1C(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828518 569569736 /nfs/dbraw/zinc/56/97/36/569569736.db2.gz VUSNDKKFMQIRKF-ZDUSSCGKSA-N -1 0 447.969 4.118 50 0 IIAARM Cc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1C ZINC000009828534 569569743 /nfs/dbraw/zinc/56/97/43/569569743.db2.gz PQNLDVBRMNAICL-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009971955 569576320 /nfs/dbraw/zinc/57/63/20/569576320.db2.gz RZEPZNUSFPIHKU-UHFFFAOYSA-N -1 0 425.293 4.317 50 0 IIAARM Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000064450516 569584989 /nfs/dbraw/zinc/58/49/89/569584989.db2.gz XGXZPSMFWGZKRZ-UHFFFAOYSA-N -1 0 446.941 4.931 50 0 IIAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000006142058 193881307 /nfs/dbraw/zinc/88/13/07/193881307.db2.gz BRIRKFJSVSFJIQ-LRYGQEGESA-N -1 0 449.503 4.235 50 0 biogenic IIAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(Br)o1 ZINC000006147132 193884838 /nfs/dbraw/zinc/88/48/38/193884838.db2.gz XGWJCBCMHBGNED-UHFFFAOYSA-N -1 0 427.301 4.157 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCCC1 ZINC000009183618 132307571 /nfs/dbraw/zinc/30/75/71/132307571.db2.gz JZAJBVSZANTHST-UHFFFAOYSA-N -1 0 431.558 4.081 50 0 IIAARM CC(C)c1ccc(-c2nc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)cs2)cc1 ZINC000012872160 519833799 /nfs/dbraw/zinc/83/37/99/519833799.db2.gz YAUBOLUUONZXFY-HSZRJFAPSA-N -1 0 434.521 4.046 50 0 IIAARM CC1CCN(c2ncc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])CC1 ZINC000035397344 521049382 /nfs/dbraw/zinc/04/93/82/521049382.db2.gz COAZSCNTTWRGQU-UHFFFAOYSA-N -1 0 444.340 4.124 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc1 ZINC000033306416 521131403 /nfs/dbraw/zinc/13/14/03/521131403.db2.gz QVNIQMJYMNFLPE-PKNBQFBNSA-N -1 0 447.538 4.373 50 0 IIAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000021882734 521203750 /nfs/dbraw/zinc/20/37/50/521203750.db2.gz PCLJJVSXLJLYSO-AWEZNQCLSA-N -1 0 437.525 4.020 50 0 IIAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1OC ZINC000012412044 521228592 /nfs/dbraw/zinc/22/85/92/521228592.db2.gz PBDLXAATUWVHDG-MRXNPFEDSA-N -1 0 436.302 4.111 50 0 IIAARM COc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012881597 521776850 /nfs/dbraw/zinc/77/68/50/521776850.db2.gz PZDLQVNYCLYJJV-UHFFFAOYSA-N -1 0 444.690 4.018 50 0 IIAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)ccc1O ZINC000020492196 521896572 /nfs/dbraw/zinc/89/65/72/521896572.db2.gz GLMHCOJITRBVIC-UHFFFAOYSA-N -1 0 440.253 4.467 50 0 IIAARM CCc1nc2sc([C@@H](c3cccs3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854748 522536908 /nfs/dbraw/zinc/53/69/08/522536908.db2.gz MEUPRRQCHQGWEA-LJQANCHMSA-N -1 0 439.610 4.028 50 0 IIAARM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nc4ccccc4s3)o2)C1=O ZINC000012687577 523630930 /nfs/dbraw/zinc/63/09/30/523630930.db2.gz RJWDPKWNVBTRDR-HSZRJFAPSA-N -1 0 446.488 4.058 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)cc1 ZINC000020989033 523964111 /nfs/dbraw/zinc/96/41/11/523964111.db2.gz BUZDWLFBIOWMIE-VQTJNVASSA-N -1 0 449.898 4.359 50 0 IIAARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3F)CC2)c1 ZINC000032946916 524214252 /nfs/dbraw/zinc/21/42/52/524214252.db2.gz ITBHYTINGRQUNC-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM Cc1ccc(CSCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000016292502 524646101 /nfs/dbraw/zinc/64/61/01/524646101.db2.gz IGPIUYINXOYNHQ-UHFFFAOYSA-N -1 0 440.590 4.459 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000239412339 524722828 /nfs/dbraw/zinc/72/28/28/524722828.db2.gz SOLLDPBTSPAZCM-VNQPRFMTSA-N -1 0 432.586 4.375 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000239164768 524723834 /nfs/dbraw/zinc/72/38/34/524723834.db2.gz MWEHTOCLEHOHPA-VNQPRFMTSA-N -1 0 444.553 4.225 50 0 IIAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000012791010 525227249 /nfs/dbraw/zinc/22/72/49/525227249.db2.gz LEWQIRJSLKBCEA-UHFFFAOYSA-N -1 0 431.583 4.235 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000012526263 525307238 /nfs/dbraw/zinc/30/72/38/525307238.db2.gz SKJNUAJEPQGQBT-UHFFFAOYSA-N -1 0 442.971 4.312 50 0 IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)n1C ZINC000021030168 525567782 /nfs/dbraw/zinc/56/77/82/525567782.db2.gz WMULMXFGMUUXEL-UHFFFAOYSA-N -1 0 437.993 4.277 50 0 IIAARM C[C@H](Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)N1CCCC1 ZINC000012556936 525656760 /nfs/dbraw/zinc/65/67/60/525656760.db2.gz OTNDFLYNWFOQNZ-ZDUSSCGKSA-N -1 0 442.368 4.217 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](CC(C)C)C(=O)[O-])occ3C(C)(C)C ZINC000011865587 525964499 /nfs/dbraw/zinc/96/44/99/525964499.db2.gz ROKVXOAADZRICC-GOSISDBHSA-N -1 0 427.497 4.303 50 0 IIAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022609184 526332819 /nfs/dbraw/zinc/33/28/19/526332819.db2.gz SLZNGFBBGAKHHT-SFHVURJKSA-N -1 0 425.945 4.061 50 0 IIAARM O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000021882293 526373640 /nfs/dbraw/zinc/37/36/40/526373640.db2.gz WHCCCQIYAASRJT-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM Cn1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000012745767 527142228 /nfs/dbraw/zinc/14/22/28/527142228.db2.gz YHLUTUFTEIBIJM-LFIBNONCSA-N -1 0 431.448 4.405 50 0 IIAARM O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000657496 555525378 /nfs/dbraw/zinc/52/53/78/555525378.db2.gz IEBZGBIRUMIYIB-MDZDMXLPSA-N -1 0 449.319 4.236 50 0 IIAARM CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000677133 555535548 /nfs/dbraw/zinc/53/55/48/555535548.db2.gz WTTRVPFXCOUDGN-UHFFFAOYSA-N -1 0 431.539 4.085 50 0 IIAARM CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684614 555539472 /nfs/dbraw/zinc/53/94/72/555539472.db2.gz IUAUWORIUKDXPJ-FQEVSTJZSA-N -1 0 436.493 4.183 50 0 IIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000692614 555542012 /nfs/dbraw/zinc/54/20/12/555542012.db2.gz RXJXJVOLSCKRDO-UHFFFAOYSA-N -1 0 434.835 4.087 50 0 IIAARM O=C([O-])[C@H](Cc1ccc(O)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938071 555586249 /nfs/dbraw/zinc/58/62/49/555586249.db2.gz QVGMKKJNCQSGKT-QMMMGPOBSA-N -1 0 449.073 4.298 50 0 IIAARM COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000001029085 555605451 /nfs/dbraw/zinc/60/54/51/555605451.db2.gz DAXLVGLCKMFDKR-UHFFFAOYSA-N -1 0 433.555 4.034 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000001032434 555606265 /nfs/dbraw/zinc/60/62/65/555606265.db2.gz ZIDDBLFPMZCRFZ-UHFFFAOYSA-N -1 0 426.494 4.409 50 0 IIAARM O=C([O-])CSc1nnc(COc2cccc3cccnc32)n1-c1ccc(Cl)cc1 ZINC000001058185 555615123 /nfs/dbraw/zinc/61/51/23/555615123.db2.gz DFBMRYUHFMQFPM-UHFFFAOYSA-N -1 0 426.885 4.225 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)c1C ZINC000001773412 555713631 /nfs/dbraw/zinc/71/36/31/555713631.db2.gz GHWWFKCFDAKXPU-UHFFFAOYSA-N -1 0 443.525 4.198 50 0 IIAARM COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1OC ZINC000002244144 555761616 /nfs/dbraw/zinc/76/16/16/555761616.db2.gz XJRGWWYKCGWQHH-QFIPXVFZSA-N -1 0 447.487 4.238 50 0 IIAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000002422274 555777582 /nfs/dbraw/zinc/77/75/82/555777582.db2.gz DPOCXJLJMKJXDH-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000002605615 555790162 /nfs/dbraw/zinc/79/01/62/555790162.db2.gz GLRJBAXPCXXTNT-UHFFFAOYSA-N -1 0 439.522 4.194 50 0 IIAARM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002738467 555806810 /nfs/dbraw/zinc/80/68/10/555806810.db2.gz MOQJHHRLFBLRAZ-UHFFFAOYSA-N -1 0 440.506 4.160 50 0 IIAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000006075786 556074593 /nfs/dbraw/zinc/07/45/93/556074593.db2.gz NAVZOISWHCGSKA-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000006198257 556080644 /nfs/dbraw/zinc/08/06/44/556080644.db2.gz GQAHBFYWMPDANU-IBGZPJMESA-N -1 0 425.462 4.089 50 0 IIAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002366002 556084199 /nfs/dbraw/zinc/08/41/99/556084199.db2.gz CVCSKQZYKRCZIE-UHFFFAOYSA-N -1 0 448.504 4.351 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)s1 ZINC000002699326 556121689 /nfs/dbraw/zinc/12/16/89/556121689.db2.gz PCAKRNYXPIAZJE-UHFFFAOYSA-N -1 0 438.534 4.307 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)c1 ZINC000013960116 556347396 /nfs/dbraw/zinc/34/73/96/556347396.db2.gz RWKMNOSJEPMSKW-UHFFFAOYSA-N -1 0 440.308 4.135 50 0 IIAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)NCc1cccs1 ZINC000032778461 556351385 /nfs/dbraw/zinc/35/13/85/556351385.db2.gz VFHCHQPJVUBSHN-UHFFFAOYSA-N -1 0 433.367 4.083 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OCCC(C)C)cc2)no1 ZINC000014033255 556358255 /nfs/dbraw/zinc/35/82/55/556358255.db2.gz CZPMPLJZHRPJAR-UHFFFAOYSA-N -1 0 443.525 4.461 50 0 IIAARM O=C([O-])C1(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)CCCCCC1 ZINC000013469686 556507504 /nfs/dbraw/zinc/50/75/04/556507504.db2.gz SWMSIYSTWLYWCD-UHFFFAOYSA-N -1 0 448.516 4.380 50 0 IIAARM CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000015799784 556552475 /nfs/dbraw/zinc/55/24/75/556552475.db2.gz STJAYPYSOWZXFW-SXGWCWSVSA-N -1 0 448.294 4.392 50 0 IIAARM COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C ZINC000013682481 556557475 /nfs/dbraw/zinc/55/74/75/556557475.db2.gz JUZYLCPPVHEVSV-LJQANCHMSA-N -1 0 447.890 4.281 50 0 fda IIAARM COC(=O)c1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000016194056 556589324 /nfs/dbraw/zinc/58/93/24/556589324.db2.gz DUCYNDHNMWVIQS-UHFFFAOYSA-N -1 0 444.896 4.180 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc(OC)c1O ZINC000061719751 556726653 /nfs/dbraw/zinc/72/66/53/556726653.db2.gz YXSMNBRJSHNTEG-LBPRGKRZSA-N -1 0 442.855 4.026 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1)oc1c3CCCC1 ZINC000002104290 556758934 /nfs/dbraw/zinc/75/89/34/556758934.db2.gz BCCCYWOTXDTSDW-DEOSSOPVSA-N -1 0 445.471 4.211 50 0 biogenic IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000097940890 556810742 /nfs/dbraw/zinc/81/07/42/556810742.db2.gz KSPHNCSXIODQFY-UHFFFAOYSA-N -1 0 448.932 4.058 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCC3)cc1 ZINC000019632089 556832869 /nfs/dbraw/zinc/83/28/69/556832869.db2.gz IZXOFHOHHWROPP-SJORKVTESA-N -1 0 440.565 4.305 50 0 IIAARM O=S(=O)([N-]NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000019642669 556838052 /nfs/dbraw/zinc/83/80/52/556838052.db2.gz KLEXWPUBVSUCHH-UHFFFAOYSA-N -1 0 445.180 4.480 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078658 556853743 /nfs/dbraw/zinc/85/37/43/556853743.db2.gz MUXPYSKCBFSQJT-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1 ZINC000033253914 556894280 /nfs/dbraw/zinc/89/42/80/556894280.db2.gz SRXYVOJMGPZMOG-UHFFFAOYSA-N -1 0 440.521 4.221 50 0 IIAARM Cc1cc(NS(=O)(=O)c2ccccc2Br)ccc1-n1cccc1C(=O)[O-] ZINC000072066824 557026309 /nfs/dbraw/zinc/02/63/09/557026309.db2.gz YMQKZCAEMQSNJH-UHFFFAOYSA-N -1 0 435.299 4.047 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053566 557026496 /nfs/dbraw/zinc/02/64/96/557026496.db2.gz ZTETWAYLOJAGBY-UHFFFAOYSA-N -1 0 426.542 4.118 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)c1 ZINC000060208317 557028677 /nfs/dbraw/zinc/02/86/77/557028677.db2.gz BIXHAKWGLOCLBR-UHFFFAOYSA-N -1 0 430.551 4.487 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccc(C)cc4)nn3)c2C)cc1 ZINC000033308099 557087846 /nfs/dbraw/zinc/08/78/46/557087846.db2.gz UDVJQLNKSAAVBK-UHFFFAOYSA-N -1 0 449.536 4.064 50 0 IIAARM COc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)[n-]c2=O)cc1 ZINC000024748006 557161642 /nfs/dbraw/zinc/16/16/42/557161642.db2.gz RPUBWLLALYKZIH-FQEVSTJZSA-N -1 0 436.537 4.099 50 0 IIAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]2OC(=O)c3ccccc32)cc1C ZINC000100742165 557273950 /nfs/dbraw/zinc/27/39/50/557273950.db2.gz ZWEYTXMYQKBVKO-QPPBQGQZSA-N -1 0 427.456 4.222 50 0 IIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)[nH]c1=O ZINC000101495651 557289593 /nfs/dbraw/zinc/28/95/93/557289593.db2.gz JDRUVEGCTHVXQH-QGZVFWFLSA-N -1 0 427.551 4.462 50 0 IIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000101444095 557292714 /nfs/dbraw/zinc/29/27/14/557292714.db2.gz GMPPCXXEGBMZGJ-AWEZNQCLSA-N -1 0 438.896 4.197 50 0 IIAARM O=C(Nc1ccc(F)c(Cl)c1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722303 557294718 /nfs/dbraw/zinc/29/47/18/557294718.db2.gz YZLIIYKHJJPQLO-UHFFFAOYSA-N -1 0 427.794 4.275 50 0 IIAARM O=C([O-])c1ccc(NN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000102131158 557313371 /nfs/dbraw/zinc/31/33/71/557313371.db2.gz XCLRHJNPXYKTOV-NVPYSNMXSA-N -1 0 438.483 4.450 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 ZINC000011693245 557390822 /nfs/dbraw/zinc/39/08/22/557390822.db2.gz QROXDGILLNKEIM-UHFFFAOYSA-N -1 0 431.539 4.328 50 0 IIAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)cc1Cl ZINC000102810917 557393215 /nfs/dbraw/zinc/39/32/15/557393215.db2.gz PPZFTWVTCYSQRI-SFHVURJKSA-N -1 0 438.871 4.089 50 0 IIAARM Cc1cccc(S(=O)(=O)[N-]c2nccn2Cc2ccccc2Cl)c1Br ZINC000225395517 557718338 /nfs/dbraw/zinc/71/83/38/557718338.db2.gz FEHJXOFFWIYWRE-UHFFFAOYSA-N -1 0 440.750 4.457 50 0 IIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C(F)(F)c1ccccc1F ZINC000225837091 557783373 /nfs/dbraw/zinc/78/33/73/557783373.db2.gz CGPQGMSJTSADGI-KRWDZBQOSA-N -1 0 431.458 4.157 50 0 IIAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Cl ZINC000000856480 557831425 /nfs/dbraw/zinc/83/14/25/557831425.db2.gz RPNYGARFMLGHHX-UJKMTWAASA-N -1 0 429.859 4.435 50 0 IIAARM C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000003875359 562939205 /nfs/dbraw/zinc/93/92/05/562939205.db2.gz KLRNMIUKAXHHFS-ZILYODKUSA-N -1 0 432.557 4.192 50 0 in-man IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000008605340 562956681 /nfs/dbraw/zinc/95/66/81/562956681.db2.gz DFSDYGGKZMSUKG-UHFFFAOYSA-N -1 0 430.551 4.377 50 0 aggregator IIAARM COc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000008685757 562962624 /nfs/dbraw/zinc/96/26/24/562962624.db2.gz MVBUFGALYSZUSW-KRWDZBQOSA-N -1 0 427.844 4.032 50 0 IIAARM C[C@@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000008788772 562964108 /nfs/dbraw/zinc/96/41/08/562964108.db2.gz ITGDFJSZWWNVPR-LRYGQEGESA-N -1 0 449.503 4.235 50 0 biogenic IIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccc(F)cc4)c(Cl)c1=O)(C3)C2 ZINC000009233452 562968362 /nfs/dbraw/zinc/96/83/62/562968362.db2.gz NLBLMDUCWJJROZ-IWENEADUSA-N -1 0 445.922 4.418 50 0 IIAARM Cc1cccc(NC(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1C ZINC000009284350 562968946 /nfs/dbraw/zinc/96/89/46/562968946.db2.gz SCMWXWAAFWUNHF-UHFFFAOYSA-N -1 0 433.386 4.009 50 0 IIAARM Cc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000979589 568648565 /nfs/dbraw/zinc/64/85/65/568648565.db2.gz TUISVGVCXCUDTF-UHFFFAOYSA-N -1 0 436.320 4.284 50 0 IIAARM CCOc1cc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc(OCC)c1OCC ZINC000001160478 568664259 /nfs/dbraw/zinc/66/42/59/568664259.db2.gz YGYWERCGHFGLLF-UHFFFAOYSA-N -1 0 446.525 4.016 50 0 IIAARM Cc1nn(CCC(=O)[O-])c(C)c1[C@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263587065 568760296 /nfs/dbraw/zinc/76/02/96/568760296.db2.gz BPYZLOWHVXKYRI-IBGZPJMESA-N -1 0 442.519 4.452 50 0 IIAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407360 568787149 /nfs/dbraw/zinc/78/71/49/568787149.db2.gz RUPNCBOTJOGOFT-MHWRWJLKSA-N -1 0 438.698 4.293 50 0 IIAARM O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1c([O-])cc(F)cc1F ZINC000084343967 568797135 /nfs/dbraw/zinc/79/71/35/568797135.db2.gz BWLROHUXFAFCKY-UHFFFAOYSA-N -1 0 425.218 4.440 50 0 IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C(C)C)nc2c1 ZINC000015870329 568851716 /nfs/dbraw/zinc/85/17/16/568851716.db2.gz ZLZUABVYNRBPEC-UHFFFAOYSA-N -1 0 439.946 4.354 50 0 IIAARM CC(NCCc1c(C)[nH]c2c1c(C)ccc2C)=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000575443463 568869650 /nfs/dbraw/zinc/86/96/50/568869650.db2.gz BHIBIDJDWMITQH-PYCFMQQDSA-N -1 0 444.535 4.091 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000016096998 568870252 /nfs/dbraw/zinc/87/02/52/568870252.db2.gz ZZOMQBJLQQBGPJ-UHFFFAOYSA-N -1 0 448.859 4.261 50 0 IIAARM Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000227175564 568885760 /nfs/dbraw/zinc/88/57/60/568885760.db2.gz RRBVUHXIOGVLOB-VFNWGFHPSA-N -1 0 449.532 4.492 50 0 IIAARM CCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001773473 568906298 /nfs/dbraw/zinc/90/62/98/568906298.db2.gz ACUGGUOJLLOISM-UHFFFAOYSA-N -1 0 445.566 4.304 50 0 IIAARM Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001773410 568906349 /nfs/dbraw/zinc/90/63/49/568906349.db2.gz HZBOKUIVUDKDDO-UHFFFAOYSA-N -1 0 431.539 4.050 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000239433373 568911587 /nfs/dbraw/zinc/91/15/87/568911587.db2.gz XPAPAWNMHPOEEQ-IXDOHACOSA-N -1 0 444.597 4.495 50 0 IIAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000245238617 568913259 /nfs/dbraw/zinc/91/32/59/568913259.db2.gz WMUKCJWSARQGPN-YPAWHYETSA-N -1 0 434.879 4.400 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245240525 568913281 /nfs/dbraw/zinc/91/32/81/568913281.db2.gz ZDTSWYWUPWCDBR-HBMCJLEFSA-N -1 0 448.862 4.089 50 0 IIAARM CCOc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])ON(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000248379149 568919322 /nfs/dbraw/zinc/91/93/22/568919322.db2.gz LWVYEWWEIPRHFH-RJGXRXQPSA-N -1 0 432.476 4.286 50 0 IIAARM COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064558157 568932102 /nfs/dbraw/zinc/93/21/02/568932102.db2.gz WOCSPRCYWOTTCG-OAQYLSRUSA-N -1 0 435.501 4.335 50 0 IIAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)c(C(=O)[O-])c3)CC2)c1 ZINC000064589287 568934829 /nfs/dbraw/zinc/93/48/29/568934829.db2.gz VUZZAXKGWHQJOY-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820412 568967238 /nfs/dbraw/zinc/96/72/38/568967238.db2.gz DYAAJFDVMXXDIA-UHFFFAOYSA-N -1 0 438.503 4.196 50 0 IIAARM O=S(=O)([N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1F ZINC000065096417 569103576 /nfs/dbraw/zinc/10/35/76/569103576.db2.gz BNTHQPWGWJAWOG-UHFFFAOYSA-N -1 0 435.440 4.010 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CC)c2)c1 ZINC000065116200 569107213 /nfs/dbraw/zinc/10/72/13/569107213.db2.gz QUEPLBONJZJNEO-UHFFFAOYSA-N -1 0 443.525 4.234 50 0 IIAARM O=C(Nc1cccc(F)c1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000065260920 569124214 /nfs/dbraw/zinc/12/42/14/569124214.db2.gz XNFMEGAQADWHHE-UHFFFAOYSA-N -1 0 437.862 4.072 50 0 IIAARM CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000037018939 569139628 /nfs/dbraw/zinc/13/96/28/569139628.db2.gz UKPFWYXJSVONBK-PLFFATQSSA-N -1 0 428.510 4.174 50 0 IIAARM COc1ccc(Cl)cc1NC(=O)CSc1ccc(NC(=O)/C=C(/C)C(=O)[O-])cc1 ZINC000037018973 569139632 /nfs/dbraw/zinc/13/96/32/569139632.db2.gz JZRMXTQDLIDIAR-XFXZXTDPSA-N -1 0 434.901 4.049 50 0 IIAARM COc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc(OC)c1C ZINC000037111701 569140016 /nfs/dbraw/zinc/14/00/16/569140016.db2.gz FAXITFCKOJUKHR-UHFFFAOYSA-N -1 0 432.523 4.127 50 0 IIAARM CN(C)c1ccc([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)nc1 ZINC000170617497 569147503 /nfs/dbraw/zinc/14/75/03/569147503.db2.gz ISWYJCPFMVDRKM-UHFFFAOYSA-N -1 0 425.135 4.018 50 0 IIAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000170615162 569146604 /nfs/dbraw/zinc/14/66/04/569146604.db2.gz PONBEJXUTVEKLF-LJQANCHMSA-N -1 0 444.329 4.058 50 0 IIAARM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000016837482 569162686 /nfs/dbraw/zinc/16/26/86/569162686.db2.gz ZBLFLJRNHBHDCR-UHFFFAOYSA-N -1 0 428.460 4.359 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002117400 569182475 /nfs/dbraw/zinc/18/24/75/569182475.db2.gz CNMKSVQHLOQTFH-UHFFFAOYSA-N -1 0 437.423 4.177 50 0 biogenic IIAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002118541 569182666 /nfs/dbraw/zinc/18/26/66/569182666.db2.gz WMONIUHNXSPZOQ-KRWDZBQOSA-N -1 0 445.537 4.010 50 0 biogenic IIAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)C2CCCCC2)[C@@H](c2cccc(F)c2)C1 ZINC000253433134 569269299 /nfs/dbraw/zinc/26/92/99/569269299.db2.gz SONLPHLDNHTJOP-JOCHJYFZSA-N -1 0 443.544 4.455 50 0 IIAARM CC(C)(C)c1nnc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)s1 ZINC000095453620 569368260 /nfs/dbraw/zinc/36/82/60/569368260.db2.gz PACGOBRIXDKZKD-UHFFFAOYSA-N -1 0 428.736 4.191 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(OC)cc3)[C@H]2C(=O)[O-])cc1 ZINC000096318952 569393955 /nfs/dbraw/zinc/39/39/55/569393955.db2.gz KPCHLBZWEYWCDF-ZACQAIPSSA-N -1 0 429.519 4.133 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000002503368 569406117 /nfs/dbraw/zinc/40/61/17/569406117.db2.gz UMDMZXKFJXUYKH-QHCPKHFHSA-N -1 0 432.501 4.411 50 0 IIAARM CCCCCCn1c(=O)c(C(=O)Nc2ncc(Br)cn2)c([O-])c2ccccc21 ZINC000299738258 569408414 /nfs/dbraw/zinc/40/84/14/569408414.db2.gz OMXDNQUAHGGCOM-UHFFFAOYSA-N -1 0 445.317 4.092 50 0 IIAARM O=C(NCCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003051816 569439261 /nfs/dbraw/zinc/43/92/61/569439261.db2.gz SKGMYVYDFFSDJX-UHFFFAOYSA-N -1 0 449.963 4.359 50 0 IIAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000003198404 569441571 /nfs/dbraw/zinc/44/15/71/569441571.db2.gz BCDUGAKPSIBYBO-UHFFFAOYSA-N -1 0 436.331 4.372 50 0 IIAARM CCCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000003255140 569443086 /nfs/dbraw/zinc/44/30/86/569443086.db2.gz KCDYYVDAJCRJGW-UHFFFAOYSA-N -1 0 440.525 4.099 50 0 IIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(OC)c1)oc1ccccc12 ZINC000003330426 569446445 /nfs/dbraw/zinc/44/64/45/569446445.db2.gz UIJVLKMHKYQBFO-UHFFFAOYSA-N -1 0 440.477 4.362 50 0 IIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032072246 569459215 /nfs/dbraw/zinc/45/92/15/569459215.db2.gz WTQFVGKGNDMUGK-NRFANRHFSA-N -1 0 448.350 4.297 50 0 IIAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(Br)cc3Cl)cnc21 ZINC000032097944 569459943 /nfs/dbraw/zinc/45/99/43/569459943.db2.gz QLKQREWKACUJFC-UHFFFAOYSA-N -1 0 429.727 4.229 50 0 IIAARM Cc1cc2oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000008877590 569481188 /nfs/dbraw/zinc/48/11/88/569481188.db2.gz ZKNHKTFGSHMYSD-IBGZPJMESA-N -1 0 445.471 4.441 50 0 biogenic IIAARM Cc1nnc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)s1 ZINC000040266662 569497289 /nfs/dbraw/zinc/49/72/89/569497289.db2.gz OCIYNIPZAAQVAY-IBGZPJMESA-N -1 0 431.443 4.006 50 0 IIAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000040288554 569498417 /nfs/dbraw/zinc/49/84/17/569498417.db2.gz NCZJOPZXPJTZSS-KRWDZBQOSA-N -1 0 435.332 4.472 50 0 IIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000009409665 569531160 /nfs/dbraw/zinc/53/11/60/569531160.db2.gz GVWRUAYJZICJKK-UHFFFAOYSA-N -1 0 445.302 4.497 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2)c1ccccc1 ZINC000009510589 569542803 /nfs/dbraw/zinc/54/28/03/569542803.db2.gz UXZRMAVWADYBIJ-SFTDATJTSA-N -1 0 449.511 4.364 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000009519337 569544232 /nfs/dbraw/zinc/54/42/32/569544232.db2.gz VJCLYYBQJSHJKV-UHFFFAOYSA-N -1 0 435.427 4.462 50 0 IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009645906 569556209 /nfs/dbraw/zinc/55/62/09/569556209.db2.gz QPWXFSDMODEICX-UHFFFAOYSA-N -1 0 447.534 4.410 50 0 IIAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1cccc(C(F)(F)F)c1 ZINC000009761998 569566405 /nfs/dbraw/zinc/56/64/05/569566405.db2.gz IYVCEPUEKPELOI-UHFFFAOYSA-N -1 0 449.863 4.201 50 0 IIAARM CSc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000009828590 569569762 /nfs/dbraw/zinc/56/97/62/569569762.db2.gz VWRCWVIAYASBLO-UHFFFAOYSA-N -1 0 433.580 4.155 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)cc1 ZINC000010273723 569580310 /nfs/dbraw/zinc/58/03/10/569580310.db2.gz ZQFGLDHDDDFFBE-UXHICEINSA-N -1 0 449.898 4.359 50 0 IIAARM Cc1c(S(=O)(=O)[N-]c2ccccn2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008943 569583162 /nfs/dbraw/zinc/58/31/62/569583162.db2.gz QVTKGJSLMKFJQC-UHFFFAOYSA-N -1 0 444.969 4.973 50 0 IIAARM CCc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000009716769 132239054 /nfs/dbraw/zinc/23/90/54/132239054.db2.gz JWQPXCAPTAWJPH-GOSISDBHSA-N -1 0 425.583 4.032 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1 ZINC000008602073 132286554 /nfs/dbraw/zinc/28/65/54/132286554.db2.gz BRNHFXPXBIPPAQ-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529551 132320644 /nfs/dbraw/zinc/32/06/44/132320644.db2.gz LDKWKXAMCBIVAW-UHFFFAOYSA-N -1 0 438.553 4.252 50 0 IIAARM CC(=O)Nc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260779 519734664 /nfs/dbraw/zinc/73/46/64/519734664.db2.gz BBFCAVQWLHKOOC-UHFFFAOYSA-N -1 0 438.915 4.180 50 0 IIAARM CC(C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC000042783088 519838336 /nfs/dbraw/zinc/83/83/36/519838336.db2.gz OWTSMXWXVIOKGJ-ZFWWWQNUSA-N -1 0 428.323 4.414 50 0 IIAARM CCOc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc(OCC)c1OCC ZINC000012411421 520665884 /nfs/dbraw/zinc/66/58/84/520665884.db2.gz ZICRXIZYDJLYTO-KRWDZBQOSA-N -1 0 435.904 4.482 50 0 IIAARM CCOc1ccc(NC(=O)N2CCc3cc(OCC)c(OCC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000020920512 521089955 /nfs/dbraw/zinc/08/99/55/521089955.db2.gz PYZOKAGTVQVGRV-HXUWFJFHSA-N -1 0 442.512 4.489 50 0 IIAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000035397234 521376019 /nfs/dbraw/zinc/37/60/19/521376019.db2.gz ZPDXXVNGYIJGTA-UHFFFAOYSA-N -1 0 443.500 4.055 50 0 IIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019638412 521767994 /nfs/dbraw/zinc/76/79/94/521767994.db2.gz KRYNIABVMOXGHP-JKSUJKDBSA-N -1 0 443.521 4.138 50 0 IIAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854746 522538469 /nfs/dbraw/zinc/53/84/69/522538469.db2.gz MEUPRRQCHQGWEA-IBGZPJMESA-N -1 0 439.610 4.028 50 0 IIAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000012630286 522756619 /nfs/dbraw/zinc/75/66/19/522756619.db2.gz ZLWDEBDLOYGIDR-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017096051 523715804 /nfs/dbraw/zinc/71/58/04/523715804.db2.gz GEIYOMMLXANXFA-MSOLQXFVSA-N -1 0 428.554 4.378 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000017026597 523850523 /nfs/dbraw/zinc/85/05/23/523850523.db2.gz WGTPNUPFYQEKQC-UHFFFAOYSA-N -1 0 442.562 4.459 50 0 IIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)n1C ZINC000021154473 525573979 /nfs/dbraw/zinc/57/39/79/525573979.db2.gz XWASCIUSCHHQDF-UHFFFAOYSA-N -1 0 441.956 4.251 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NC4CCCC4)ccc3s2)cc1 ZINC000013347538 525618741 /nfs/dbraw/zinc/61/87/41/525618741.db2.gz GCAJJMWTIFYYOQ-UHFFFAOYSA-N -1 0 430.555 4.470 50 0 IIAARM O=C([O-])c1ccc(N2CCN(c3ccccn3)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000021882326 526374333 /nfs/dbraw/zinc/37/43/33/526374333.db2.gz XGFREHQZOXNRMN-UHFFFAOYSA-N -1 0 436.899 4.012 50 0 IIAARM O=C([O-])c1ccc2c(c1)nc(SCCOc1ccccc1)n(Cc1ccccc1)c2=O ZINC000013044863 526386300 /nfs/dbraw/zinc/38/63/00/526386300.db2.gz IGESXWKVQQBJIZ-UHFFFAOYSA-N -1 0 432.501 4.314 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc2c3ccccc3oc21 ZINC000012360283 527257282 /nfs/dbraw/zinc/25/72/82/527257282.db2.gz USIQBZCQDKDVJD-UHFFFAOYSA-N -1 0 444.472 4.429 50 0 IIAARM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000645493 555520442 /nfs/dbraw/zinc/52/04/42/555520442.db2.gz OTUMJFDBGYYBCE-UHFFFAOYSA-N -1 0 439.537 4.197 50 0 IIAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000000848168 555569957 /nfs/dbraw/zinc/56/99/57/555569957.db2.gz VGHQGRAXFADZFK-QGZVFWFLSA-N -1 0 431.286 4.000 50 0 IIAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938072 555586167 /nfs/dbraw/zinc/58/61/67/555586167.db2.gz QVGMKKJNCQSGKT-MRVPVSSYSA-N -1 0 449.073 4.298 50 0 IIAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000979628 555592901 /nfs/dbraw/zinc/59/29/01/555592901.db2.gz VSQFTNYOIMLREL-UHFFFAOYSA-N -1 0 436.320 4.284 50 0 IIAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CCCC2 ZINC000001025139 555604372 /nfs/dbraw/zinc/60/43/72/555604372.db2.gz XULLPFXSHNPYND-UHFFFAOYSA-N -1 0 444.372 4.367 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1(c2ccccc2)CCCC1 ZINC000001143311 555651503 /nfs/dbraw/zinc/65/15/03/555651503.db2.gz MULFUTCPRVFKPC-UHFFFAOYSA-N -1 0 427.551 4.394 50 0 IIAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000001159429 555660838 /nfs/dbraw/zinc/66/08/38/555660838.db2.gz TXMQHBYXNOLTJX-QPJJXVBHSA-N -1 0 425.293 4.227 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)cc(C)cc3C)cc2)c1C ZINC000001177208 555670204 /nfs/dbraw/zinc/67/02/04/555670204.db2.gz QIUCQJJETKJFFP-UHFFFAOYSA-N -1 0 443.525 4.035 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002365575 555772638 /nfs/dbraw/zinc/77/26/38/555772638.db2.gz PIHLVMFSGDWQHM-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002541554 555786327 /nfs/dbraw/zinc/78/63/27/555786327.db2.gz FVUASVBQADLDRO-OAQYLSRUSA-N -1 0 439.508 4.442 50 0 IIAARM O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000002952695 555866447 /nfs/dbraw/zinc/86/64/47/555866447.db2.gz BXIOZJVKLLQULW-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM CCOc1cccc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)[n-]2)c1 ZINC000034764771 555905980 /nfs/dbraw/zinc/90/59/80/555905980.db2.gz SSGSJBALWVPTIE-UHFFFAOYSA-N -1 0 446.551 4.057 50 0 IIAARM COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000003324628 555920536 /nfs/dbraw/zinc/92/05/36/555920536.db2.gz KDVNXQNDGGPKHX-UHFFFAOYSA-N -1 0 431.897 4.442 50 0 IIAARM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000003635601 555942470 /nfs/dbraw/zinc/94/24/70/555942470.db2.gz OMMGZHIELVJMLH-UHFFFAOYSA-N -1 0 433.489 4.297 50 0 IIAARM CCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)[O-])C(Cl)(Cl)Cl ZINC000003878012 555950317 /nfs/dbraw/zinc/95/03/17/555950317.db2.gz IBQKHERNPBTPLK-AWEZNQCLSA-N -1 0 440.780 4.064 50 0 IIAARM COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004178289 555973831 /nfs/dbraw/zinc/97/38/31/555973831.db2.gz FEBYDEFNNKEBIZ-IBGZPJMESA-N -1 0 445.313 4.390 50 0 IIAARM COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000002649173 556117518 /nfs/dbraw/zinc/11/75/18/556117518.db2.gz UQTQPLZKRJKBKL-UHFFFAOYSA-N -1 0 435.889 4.007 50 0 IIAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 ZINC000002737595 556132205 /nfs/dbraw/zinc/13/22/05/556132205.db2.gz YZRCRMWFSWYJIJ-JTQLQIEISA-N -1 0 444.372 4.223 50 0 IIAARM CC[C@H](c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc(Br)cn1 ZINC000002730603 556134277 /nfs/dbraw/zinc/13/42/77/556134277.db2.gz OCEVAZNXYRJCLW-OAHLLOKOSA-N -1 0 444.362 4.485 50 0 IIAARM COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc21 ZINC000008439331 556175493 /nfs/dbraw/zinc/17/54/93/556175493.db2.gz GBDSDSSPYNQXEN-UHFFFAOYSA-N -1 0 439.445 4.180 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000009349136 556284417 /nfs/dbraw/zinc/28/44/17/556284417.db2.gz RMVWMINFIXUFJJ-JKSUJKDBSA-N -1 0 429.494 4.206 50 0 IIAARM COc1ccc(NC(=O)c2ccc(NC(=O)C[C@@](C)(C(=O)[O-])c3ccccc3)cc2)cc1 ZINC000013253104 556501129 /nfs/dbraw/zinc/50/11/29/556501129.db2.gz UZFICXNZOUKZHE-RUZDIDTESA-N -1 0 432.476 4.319 50 0 IIAARM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl ZINC000013576866 556526443 /nfs/dbraw/zinc/52/64/43/556526443.db2.gz VYOHSJIJXIRZNK-UHFFFAOYSA-N -1 0 433.338 4.351 50 0 IIAARM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1 ZINC000032971117 556589075 /nfs/dbraw/zinc/58/90/75/556589075.db2.gz XQRZTMWLUBJNIL-UHFFFAOYSA-N -1 0 438.505 4.025 50 0 IIAARM O=C(Nc1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1)c1ccccc1 ZINC000033007667 556656560 /nfs/dbraw/zinc/65/65/60/556656560.db2.gz NIFVGWIGFOIRPK-UHFFFAOYSA-N -1 0 427.482 4.489 50 0 IIAARM CCCCCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000100732956 556658807 /nfs/dbraw/zinc/65/88/07/556658807.db2.gz MFERKCZRRSQUSP-UHFFFAOYSA-N -1 0 428.510 4.388 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017095867 556659290 /nfs/dbraw/zinc/65/92/90/556659290.db2.gz VVSPUVVMCNTNNZ-CABCVRRESA-N -1 0 428.510 4.231 50 0 IIAARM COc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2c1CCCC2 ZINC000017097014 556661022 /nfs/dbraw/zinc/66/10/22/556661022.db2.gz WRVGVJGBOGNYAV-CYBMUJFWSA-N -1 0 430.526 4.327 50 0 IIAARM COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCC2 ZINC000017097008 556661040 /nfs/dbraw/zinc/66/10/40/556661040.db2.gz ZVLRETZLXYSJAV-UHFFFAOYSA-N -1 0 430.526 4.471 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(C)c1 ZINC000046009500 556690907 /nfs/dbraw/zinc/69/09/07/556690907.db2.gz ILHFKRGEQPIROF-UHFFFAOYSA-N -1 0 437.521 4.087 50 0 IIAARM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000058328144 556781255 /nfs/dbraw/zinc/78/12/55/556781255.db2.gz IATXYAOVDCZFKB-CTNGQTDRSA-N -1 0 442.562 4.199 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CCC3)c1 ZINC000019631823 556832761 /nfs/dbraw/zinc/83/27/61/556832761.db2.gz MOWVXZNBTQZMDZ-HZPDHXFCSA-N -1 0 440.521 4.103 50 0 IIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000019632151 556833101 /nfs/dbraw/zinc/83/31/01/556833101.db2.gz WRSHTJITLLTYBC-IRXDYDNUSA-N -1 0 440.565 4.386 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000019636223 556835297 /nfs/dbraw/zinc/83/52/97/556835297.db2.gz AEBPFNHYDOBBQN-JKSUJKDBSA-N -1 0 442.537 4.485 50 0 IIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000019641895 556837901 /nfs/dbraw/zinc/83/79/01/556837901.db2.gz FDEITCCIELITLU-KBMXLJTQSA-N -1 0 444.597 4.397 50 0 IIAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C(C)C)ccc4n3)CC2)c1 ZINC000033260666 556897299 /nfs/dbraw/zinc/89/72/99/556897299.db2.gz VMHMVHJDJCTVSQ-UHFFFAOYSA-N -1 0 432.524 4.163 50 0 IIAARM CCCC(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260611 556897303 /nfs/dbraw/zinc/89/73/03/556897303.db2.gz XNFXMKZSZHRNJP-UHFFFAOYSA-N -1 0 436.487 4.137 50 0 IIAARM CCC(=O)Nc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(=O)[O-])c2c1 ZINC000033260737 556897361 /nfs/dbraw/zinc/89/73/61/556897361.db2.gz FZXVHOCOEGVWOX-UHFFFAOYSA-N -1 0 438.915 4.262 50 0 IIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000023119192 557007081 /nfs/dbraw/zinc/00/70/81/557007081.db2.gz VZBYAMUJFBDKGJ-NRFANRHFSA-N -1 0 435.501 4.335 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053560 557026443 /nfs/dbraw/zinc/02/64/43/557026443.db2.gz UQBQYQWBWXUIJG-UHFFFAOYSA-N -1 0 434.540 4.365 50 0 IIAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])C1 ZINC000046053320 557026519 /nfs/dbraw/zinc/02/65/19/557026519.db2.gz JYIPIYLNFQHUGK-CQSZACIVSA-N -1 0 430.888 4.070 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023156902 557032015 /nfs/dbraw/zinc/03/20/15/557032015.db2.gz PUIXVPOFMZWOCB-FQEVSTJZSA-N -1 0 437.544 4.164 50 0 IIAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000033308026 557087644 /nfs/dbraw/zinc/08/76/44/557087644.db2.gz MDYYTUSPRFIYIQ-UHFFFAOYSA-N -1 0 437.500 4.194 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(-c3ccc(C)cc3)nn2)c1C ZINC000033308166 557087782 /nfs/dbraw/zinc/08/77/82/557087782.db2.gz KMFURRDHLDTNGZ-UHFFFAOYSA-N -1 0 449.536 4.064 50 0 IIAARM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nnc2-c2cccnc2)cc1 ZINC000072191571 557100137 /nfs/dbraw/zinc/10/01/37/557100137.db2.gz FCDCIJVKXSGTGI-UHFFFAOYSA-N -1 0 445.504 4.067 50 0 IIAARM CC(C)Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cccc(F)c1 ZINC000072191529 557100782 /nfs/dbraw/zinc/10/07/82/557100782.db2.gz JAXCSTLNCXRPAE-UHFFFAOYSA-N -1 0 428.489 4.169 50 0 IIAARM CCc1ccc(N2C(=O)C[C@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000100068855 557226248 /nfs/dbraw/zinc/22/62/48/557226248.db2.gz HAACNFNCOBELSE-MRXNPFEDSA-N -1 0 432.505 4.106 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccccc2)=N3)cc1 ZINC000100634343 557267013 /nfs/dbraw/zinc/26/70/13/557267013.db2.gz FPCLLDZYBDMZBB-JOCHJYFZSA-N -1 0 443.532 4.443 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2Cl)cc1 ZINC000027651599 557268585 /nfs/dbraw/zinc/26/85/85/557268585.db2.gz AUJMYBXPZZXXTQ-UHFFFAOYSA-N -1 0 431.901 4.105 50 0 IIAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(C(C)C)cc3)C2)c([O-])[nH]c1=S ZINC000101456181 557286716 /nfs/dbraw/zinc/28/67/16/557286716.db2.gz YRACXXCIUYAYHF-GOSISDBHSA-N -1 0 428.558 4.233 50 0 IIAARM CC(C)c1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494725 557288592 /nfs/dbraw/zinc/28/85/92/557288592.db2.gz GTGIEOAHUHCSNR-HXUWFJFHSA-N -1 0 435.549 4.271 50 0 IIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)NCc1ccccc1 ZINC000101505507 557290241 /nfs/dbraw/zinc/29/02/41/557290241.db2.gz FSHSOXDKNJBCKS-UHFFFAOYSA-N -1 0 432.549 4.480 50 0 IIAARM O=C(Nc1ccc(F)c(Cl)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723058 557294778 /nfs/dbraw/zinc/29/47/78/557294778.db2.gz RIJKOHMPVHQCJC-UHFFFAOYSA-N -1 0 427.794 4.275 50 0 IIAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(Br)cc3)c2=O)sc1C ZINC000101833278 557301454 /nfs/dbraw/zinc/30/14/54/557301454.db2.gz QUODVVIAXPOIHW-UHFFFAOYSA-N -1 0 435.347 4.293 50 0 IIAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(CC)cc3)cnn21 ZINC000101836501 557302953 /nfs/dbraw/zinc/30/29/53/557302953.db2.gz IALYCHYAZQGILM-FQEVSTJZSA-N -1 0 432.480 4.080 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000102479013 557324036 /nfs/dbraw/zinc/32/40/36/557324036.db2.gz FARSVUZCPSEHSA-RTWAWAEBSA-N -1 0 429.480 4.069 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)oc4C)c=3c2=O)cc1 ZINC000102479055 557324340 /nfs/dbraw/zinc/32/43/40/557324340.db2.gz IHKHJQPOIHVCLG-LEWJYISDSA-N -1 0 429.480 4.014 50 0 IIAARM COc1cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748435 557378777 /nfs/dbraw/zinc/37/87/77/557378777.db2.gz RMCXQTFJWULODM-WYRIXSBYSA-N -1 0 438.440 4.317 50 0 IIAARM CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1nc2ccccc2[nH]1 ZINC000102783810 557387609 /nfs/dbraw/zinc/38/76/09/557387609.db2.gz FXJWJXQCWZKHEK-YJYMSZOUSA-N -1 0 435.553 4.099 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2ccccc2Cl)C1 ZINC000102820784 557393799 /nfs/dbraw/zinc/39/37/99/557393799.db2.gz WMMRGFQUWLSEEZ-KRWDZBQOSA-N -1 0 429.263 4.426 50 0 IIAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1OC ZINC000044893923 557539957 /nfs/dbraw/zinc/53/99/57/557539957.db2.gz IVCPKKNYOFWHDT-OAHLLOKOSA-N -1 0 440.427 4.464 50 0 IIAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 ZINC000045941123 557549498 /nfs/dbraw/zinc/54/94/98/557549498.db2.gz GXRXAAZFNRXLSL-UHFFFAOYSA-N -1 0 439.562 4.137 50 0 IIAARM COc1ccccc1S(=O)(=O)[N-]c1ccnc2c(Cl)cc(Br)cc12 ZINC000225695049 557765084 /nfs/dbraw/zinc/76/50/84/557765084.db2.gz KRSVRQKOSZZUFF-UHFFFAOYSA-N -1 0 427.707 4.460 50 0 IIAARM COc1ccc(-c2cc(C(=O)N[C@H](Cc3cc4ccccc4[nH]3)C(=O)[O-])c(C)o2)cc1OC ZINC000001426029 562921925 /nfs/dbraw/zinc/92/19/25/562921925.db2.gz MUVTYIIZUPMMIS-HXUWFJFHSA-N -1 0 448.475 4.179 50 0 IIAARM CCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000001794664 562924656 /nfs/dbraw/zinc/92/46/56/562924656.db2.gz YZJIMHMBSBBSTG-UHFFFAOYSA-N -1 0 429.498 4.215 50 0 IIAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002155366 562926055 /nfs/dbraw/zinc/92/60/55/562926055.db2.gz NZBFASZBZHVYLG-IBGZPJMESA-N -1 0 439.508 4.337 50 0 biogenic IIAARM CCOC(=O)c1c(C)n(C)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(Cl)s3)c21 ZINC000002346283 562927081 /nfs/dbraw/zinc/92/70/81/562927081.db2.gz QNJXDMCDSAPKON-UHFFFAOYSA-N -1 0 442.946 4.188 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000006023399 562945918 /nfs/dbraw/zinc/94/59/18/562945918.db2.gz FTYHFZDHQIKOPL-UHFFFAOYSA-N -1 0 433.489 4.048 50 0 IIAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000008685758 562962644 /nfs/dbraw/zinc/96/26/44/562962644.db2.gz MMYIDQZBRXAODZ-KRWDZBQOSA-N -1 0 427.844 4.032 50 0 IIAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1OC ZINC000003623258 568751734 /nfs/dbraw/zinc/75/17/34/568751734.db2.gz DJRFMIRSFUTHOL-MRXNPFEDSA-N -1 0 436.302 4.192 50 0 IIAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccncc3)CC(=O)O4)c2=O)cc1OC ZINC000263586327 568759483 /nfs/dbraw/zinc/75/94/83/568759483.db2.gz SQUPEJGTRNFCLU-HNNXBMFYSA-N -1 0 445.427 4.019 50 0 biogenic IIAARM COc1cc2c(cc1OC)[C@@H](OC(=O)Nc1ccc(C)cc1)C[C@H]2[N-]C(=O)C(F)(F)F ZINC000001399329 568785919 /nfs/dbraw/zinc/78/59/19/568785919.db2.gz BUJVQXCEDZBTOO-CVEARBPZSA-N -1 0 438.402 4.425 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001401710 568786441 /nfs/dbraw/zinc/78/64/41/568786441.db2.gz BTNVUFDHWHKPGG-UHFFFAOYSA-N -1 0 431.823 4.354 50 0 IIAARM O=C([N-]S(=O)(=O)c1cccc(F)c1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000001415001 568790582 /nfs/dbraw/zinc/79/05/82/568790582.db2.gz FPOLQRXTOXOHMB-UHFFFAOYSA-N -1 0 445.419 4.478 50 0 IIAARM Cc1cc(Br)c([O-])c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000084074614 568791609 /nfs/dbraw/zinc/79/16/09/568791609.db2.gz TXTOYLAULFWKMI-UHFFFAOYSA-N -1 0 429.767 4.136 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000015731462 568814731 /nfs/dbraw/zinc/81/47/31/568814731.db2.gz KPEYQDSTGPDSSS-UHFFFAOYSA-N -1 0 438.839 4.389 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C)c(Cl)c3)c(=O)c1=2 ZINC000015733678 568816096 /nfs/dbraw/zinc/81/60/96/568816096.db2.gz GOHPDIHITQMBML-UXHICEINSA-N -1 0 449.898 4.414 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000015781904 568826175 /nfs/dbraw/zinc/82/61/75/568826175.db2.gz OLSDXNWUPMSEMF-GOSISDBHSA-N -1 0 434.439 4.368 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000006146420 568846018 /nfs/dbraw/zinc/84/60/18/568846018.db2.gz GKXOXDWTWSUCMR-UHFFFAOYSA-N -1 0 436.411 4.166 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006146998 568846226 /nfs/dbraw/zinc/84/62/26/568846226.db2.gz URGUFGXEGWGJKL-UHFFFAOYSA-N -1 0 430.869 4.122 50 0 IIAARM CCCCc1ccc2[nH]cc(CCNC(C)=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000575443717 568869588 /nfs/dbraw/zinc/86/95/88/568869588.db2.gz JFDLAFQMJDBFSI-QJOMJCCJSA-N -1 0 444.535 4.200 50 0 IIAARM CN1c2ccccc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)C1=O ZINC000036357290 569084594 /nfs/dbraw/zinc/08/45/94/569084594.db2.gz BYLIDCNJBWFYAD-JOCHJYFZSA-N -1 0 438.892 4.371 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010418 569088118 /nfs/dbraw/zinc/08/81/18/569088118.db2.gz NNHDWNDBVXEWDR-UHFFFAOYSA-N -1 0 442.537 4.403 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c(C(F)(F)F)n1 ZINC000170609089 569144573 /nfs/dbraw/zinc/14/45/73/569144573.db2.gz CXGUDDCLICRBSI-UHFFFAOYSA-N -1 0 445.644 4.326 50 0 IIAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000170615616 569146509 /nfs/dbraw/zinc/14/65/09/569146509.db2.gz NHIVESFGPUFBRB-FQEVSTJZSA-N -1 0 430.888 4.290 50 0 IIAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000013579136 569156135 /nfs/dbraw/zinc/15/61/35/569156135.db2.gz RBWTYVTWOBKRDS-ZRDIBKRKSA-N -1 0 438.427 4.406 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3cn4c(C)csc4n3)c2)c1 ZINC000017144080 569174603 /nfs/dbraw/zinc/17/46/03/569174603.db2.gz JFIQAHGENUCAAO-UHFFFAOYSA-N -1 0 429.523 4.189 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)occ3C(C)(C)C ZINC000002113368 569182070 /nfs/dbraw/zinc/18/20/70/569182070.db2.gz BINLRNXSLWDQAM-UHFFFAOYSA-N -1 0 425.481 4.011 50 0 biogenic IIAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002154724 569187469 /nfs/dbraw/zinc/18/74/69/569187469.db2.gz HDJDFLHUMMTXMI-IBGZPJMESA-N -1 0 439.508 4.419 50 0 biogenic IIAARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000002044320 569256453 /nfs/dbraw/zinc/25/64/53/569256453.db2.gz CYWICJWKZPXJSA-XFMLEECNSA-N -1 0 430.541 4.112 50 0 IIAARM CC1CCC(NC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000009434325 569296280 /nfs/dbraw/zinc/29/62/80/569296280.db2.gz HXBMSSUXNVSBPO-UHFFFAOYSA-N -1 0 431.558 4.043 50 0 IIAARM COc1cc(NC(=O)NC2CCCC2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349591 569313197 /nfs/dbraw/zinc/31/31/97/569313197.db2.gz PKVQEDNRNMUBNR-UHFFFAOYSA-N -1 0 446.554 4.170 50 0 IIAARM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000328594614 569317705 /nfs/dbraw/zinc/31/77/05/569317705.db2.gz YZPSCNNBJVZAAP-UHFFFAOYSA-N -1 0 435.440 4.015 50 0 IIAARM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000079015066 569321998 /nfs/dbraw/zinc/32/19/98/569321998.db2.gz KRTOLAWAUMLBIB-ZDUSSCGKSA-N -1 0 433.921 4.089 50 0 IIAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC000095425541 569366003 /nfs/dbraw/zinc/36/60/03/569366003.db2.gz SXFXPSXCPFSDGE-UHFFFAOYSA-N -1 0 436.365 4.040 50 0 IIAARM COc1ccccc1CNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000020643768 569374908 /nfs/dbraw/zinc/37/49/08/569374908.db2.gz ZATHPCFEGWGHPH-UHFFFAOYSA-N -1 0 437.565 4.190 50 0 IIAARM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096116379 569383648 /nfs/dbraw/zinc/38/36/48/569383648.db2.gz BDKMMHQEDRPGOX-HNNXBMFYSA-N -1 0 444.395 4.041 50 0 biogenic IIAARM CC(C)CCNC(=O)c1cc(C(=O)c2cc(Cl)ccc2[O-])cn(CCC(C)C)c1=O ZINC000003260944 569443223 /nfs/dbraw/zinc/44/32/23/569443223.db2.gz UQARBULHPMJQCM-UHFFFAOYSA-N -1 0 432.948 4.260 50 0 IIAARM Cc1sc2nc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n(C(C)C)c(=O)c2c1C ZINC000003342485 569447013 /nfs/dbraw/zinc/44/70/13/569447013.db2.gz DLUKTHYLDPJMHW-UHFFFAOYSA-N -1 0 431.539 4.085 50 0 IIAARM COc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000003448444 569451526 /nfs/dbraw/zinc/45/15/26/569451526.db2.gz HGSULLJIGCDZQF-UHFFFAOYSA-N -1 0 429.338 4.456 50 0 IIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032102312 569460125 /nfs/dbraw/zinc/46/01/25/569460125.db2.gz BZIPRQIDEWGPJJ-IBGZPJMESA-N -1 0 439.924 4.299 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840652 569478311 /nfs/dbraw/zinc/47/83/11/569478311.db2.gz WBXDRCFIWFJKTD-UHFFFAOYSA-N -1 0 436.533 4.284 50 0 IIAARM CCCCC(=O)N[C@]([N-]c1nc2cc(C)c(C)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009108794 569501898 /nfs/dbraw/zinc/50/18/98/569501898.db2.gz DZSZDGOUOKJUSK-SFHVURJKSA-N -1 0 431.480 4.453 50 0 IIAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1 ZINC000040450600 569506325 /nfs/dbraw/zinc/50/63/25/569506325.db2.gz QYGAPIAQMOAKGR-LBPRGKRZSA-N -1 0 437.359 4.110 50 0 IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21 ZINC000040454585 569506496 /nfs/dbraw/zinc/50/64/96/569506496.db2.gz MHSWRPZLTAVXMO-UHFFFAOYSA-N -1 0 437.359 4.166 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000009152539 569507797 /nfs/dbraw/zinc/50/77/97/569507797.db2.gz VRMMNZRRROHBGS-ZDUSSCGKSA-N -1 0 434.945 4.227 50 0 IIAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc(OC)c1O ZINC000009599400 569551252 /nfs/dbraw/zinc/55/12/52/569551252.db2.gz IZLPDZGDBULUCZ-UHFFFAOYSA-N -1 0 425.828 4.366 50 0 IIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000009645805 569556229 /nfs/dbraw/zinc/55/62/29/569556229.db2.gz KPPZYBFLMHMQIH-UHFFFAOYSA-N -1 0 433.507 4.020 50 0 IIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000009646529 569556343 /nfs/dbraw/zinc/55/63/43/569556343.db2.gz MIFFDJYNDWZVGJ-UHFFFAOYSA-N -1 0 439.486 4.035 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)s2)on1 ZINC000009688961 569560862 /nfs/dbraw/zinc/56/08/62/569560862.db2.gz DLJOTHMERWGNHA-UHFFFAOYSA-N -1 0 442.902 4.043 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)s2)on1 ZINC000009688957 569560915 /nfs/dbraw/zinc/56/09/15/569560915.db2.gz OTVVKUNZWVRCCQ-UHFFFAOYSA-N -1 0 442.902 4.043 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1 ZINC000009828596 569569798 /nfs/dbraw/zinc/56/97/98/569569798.db2.gz YEELCULZBXPPAL-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)ccc1C ZINC000009896651 569573014 /nfs/dbraw/zinc/57/30/14/569573014.db2.gz TYARBWNIDISWGF-UHFFFAOYSA-N -1 0 442.562 4.064 50 0 IIAARM O=C(NC(c1ccccc1)c1ccccc1)c1cnc([O-])n(Cc2ccccc2Cl)c1=O ZINC000077099315 569585158 /nfs/dbraw/zinc/58/51/58/569585158.db2.gz SYXARKFDAXTUGS-UHFFFAOYSA-N -1 0 445.906 4.170 50 0 IIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000006142861 193882188 /nfs/dbraw/zinc/88/21/88/193882188.db2.gz JLACQTSYZHEYRW-UHFFFAOYSA-N -1 0 442.522 4.253 50 0 IIAARM CCCCNC(=O)CSc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112507 520626809 /nfs/dbraw/zinc/62/68/09/520626809.db2.gz JNABJMOZDLJFTG-UHFFFAOYSA-N -1 0 443.594 4.226 50 0 IIAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000035397382 521650987 /nfs/dbraw/zinc/65/09/87/521650987.db2.gz ZOKCPCAZNICEPO-UHFFFAOYSA-N -1 0 431.558 4.086 50 0 IIAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000017167680 521972256 /nfs/dbraw/zinc/97/22/56/521972256.db2.gz VKNFXBHTWSKDPT-XACIZNRCSA-N -1 0 447.896 4.437 50 0 IIAARM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854717 522537396 /nfs/dbraw/zinc/53/73/96/522537396.db2.gz SAIHMYVPWARTBN-JOCHJYFZSA-N -1 0 447.608 4.274 50 0 IIAARM CCc1nc2sc([C@H](c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854806 522540033 /nfs/dbraw/zinc/54/00/33/522540033.db2.gz SGOUNLAGJIBHBQ-SFHVURJKSA-N -1 0 443.960 4.217 50 0 IIAARM COc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(=O)[O-])cc2)cc1 ZINC000020616658 524628555 /nfs/dbraw/zinc/62/85/55/524628555.db2.gz JEKCGGBVCHRTSY-RWEWTDSWSA-N -1 0 430.416 4.330 50 0 IIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2sccc2C1 ZINC000021131840 525004025 /nfs/dbraw/zinc/00/40/25/525004025.db2.gz KALKFCPSTAEQJU-UHFFFAOYSA-N -1 0 430.526 4.195 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2cc3oc4ccccc4c3cc2OC)cc1NC(C)=O ZINC000012536089 525081436 /nfs/dbraw/zinc/08/14/36/525081436.db2.gz LZTLOQFGIAZHPD-UHFFFAOYSA-N -1 0 440.477 4.362 50 0 IIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCCCCCC1 ZINC000035397600 526353702 /nfs/dbraw/zinc/35/37/02/526353702.db2.gz OVKWXZGSGNQCMY-UHFFFAOYSA-N -1 0 443.569 4.230 50 0 IIAARM Cc1nc2sc([C@H](c3ccccc3C)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627271 527207333 /nfs/dbraw/zinc/20/73/33/527207333.db2.gz RXBHVEPSUDXYIG-FQEVSTJZSA-N -1 0 437.544 4.164 50 0 IIAARM O=S(=O)([N-]c1cc(Cl)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000022609020 527246534 /nfs/dbraw/zinc/24/65/34/527246534.db2.gz MTFSEDSGDARYGF-UHFFFAOYSA-N -1 0 437.823 4.243 50 0 IIAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1)C1CC1 ZINC000012526187 527362630 /nfs/dbraw/zinc/36/26/30/527362630.db2.gz GDUPWZPSELWKKH-UHFFFAOYSA-N -1 0 429.723 4.252 50 0 IIAARM CCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000000643611 555519561 /nfs/dbraw/zinc/51/95/61/555519561.db2.gz ZZGJVJPMMYFKEX-UHFFFAOYSA-N -1 0 443.525 4.062 50 0 IIAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000001060775 555616137 /nfs/dbraw/zinc/61/61/37/555616137.db2.gz ZRBMXVYSBRZVQW-UHFFFAOYSA-N -1 0 426.563 4.182 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000001220861 555686042 /nfs/dbraw/zinc/68/60/42/555686042.db2.gz JVGQDQDURUBNNW-UDXLVXBTSA-N -1 0 445.474 4.475 50 0 IIAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002517113 555785560 /nfs/dbraw/zinc/78/55/60/555785560.db2.gz RCQRXYWDDVULAP-HXUWFJFHSA-N -1 0 425.481 4.100 50 0 IIAARM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002539219 555786386 /nfs/dbraw/zinc/78/63/86/555786386.db2.gz OQGAELAJEGGNKG-QHCPKHFHSA-N -1 0 445.471 4.112 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2)no1 ZINC000002696386 555800037 /nfs/dbraw/zinc/80/00/37/555800037.db2.gz MKUQIWZQUNNCTO-UHFFFAOYSA-N -1 0 443.525 4.233 50 0 IIAARM Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000006166183 556079203 /nfs/dbraw/zinc/07/92/03/556079203.db2.gz XRUODOGKGCLOAZ-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NC1CCCCCC1 ZINC000002973733 556152535 /nfs/dbraw/zinc/15/25/35/556152535.db2.gz SDRCDUCLEQXTEB-UHFFFAOYSA-N -1 0 438.391 4.441 50 0 IIAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccccc1 ZINC000009891857 556315361 /nfs/dbraw/zinc/31/53/61/556315361.db2.gz APUYAGUSNZNSIP-UHFFFAOYSA-N -1 0 448.519 4.421 50 0 IIAARM C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000013949448 556344185 /nfs/dbraw/zinc/34/41/85/556344185.db2.gz CARMEOHGLANNCH-STQMWFEESA-N -1 0 449.019 4.154 50 0 IIAARM O=C1COc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc2N1 ZINC000014197053 556388799 /nfs/dbraw/zinc/38/87/99/556388799.db2.gz BHAOHIKQUZTRLR-UHFFFAOYSA-N -1 0 430.869 4.264 50 0 IIAARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](OC(=O)CCC(=O)[O-])C[C@]12C ZINC000012658021 556409156 /nfs/dbraw/zinc/40/91/56/556409156.db2.gz JBBNFGYRYNBDIH-IVUJLWJZSA-N -1 0 430.541 4.110 50 0 biogenic IIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000012812412 556412276 /nfs/dbraw/zinc/41/22/76/556412276.db2.gz SCCCVXNSYQWRRS-BZSNNMDCSA-N -1 0 430.570 4.250 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013027895 556440970 /nfs/dbraw/zinc/44/09/70/556440970.db2.gz RMVWMINFIXUFJJ-HOTGVXAUSA-N -1 0 429.494 4.206 50 0 IIAARM CCOC(=O)c1c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)sc2c1CCCS2 ZINC000013249711 556500686 /nfs/dbraw/zinc/50/06/86/556500686.db2.gz OOSFRTKKIUTWTJ-OAQYLSRUSA-N -1 0 433.551 4.334 50 0 IIAARM O=C([O-])C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CC(C2=Cc3ccccc3OC2)=NO1 ZINC000013607129 556533329 /nfs/dbraw/zinc/53/33/29/556533329.db2.gz RXCHWOBVKIRCPR-NRFANRHFSA-N -1 0 447.274 4.398 50 0 IIAARM COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000015614775 556538326 /nfs/dbraw/zinc/53/83/26/556538326.db2.gz WLJMMMBQGDTDBJ-UHFFFAOYSA-N -1 0 440.521 4.374 50 0 IIAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCc2c(c3ccccc3n2C(=O)OC(C)(C)C)C1 ZINC000033414792 556564059 /nfs/dbraw/zinc/56/40/59/556564059.db2.gz SWRSXXABCASEQK-QHCPKHFHSA-N -1 0 430.501 4.261 50 0 IIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)c1 ZINC000016474690 556610213 /nfs/dbraw/zinc/61/02/13/556610213.db2.gz CJHPDUJMVQFUNJ-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM O=C(Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccc(Cl)cc1Cl ZINC000016977682 556652117 /nfs/dbraw/zinc/65/21/17/556652117.db2.gz NUOMANNWEIIQGU-UHFFFAOYSA-N -1 0 428.279 4.174 50 0 IIAARM CCC(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033010380 556658060 /nfs/dbraw/zinc/65/80/60/556658060.db2.gz BPJUSJOAINIQNC-UHFFFAOYSA-N -1 0 432.524 4.225 50 0 IIAARM COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017097003 556660997 /nfs/dbraw/zinc/66/09/97/556660997.db2.gz PBHLBFFYYLKFKL-ZDUSSCGKSA-N -1 0 430.526 4.327 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC)c(O)c2)CC(=O)N3)cc1 ZINC000061719209 556726060 /nfs/dbraw/zinc/72/60/60/556726060.db2.gz NQZFKNFQARCGLV-AWEZNQCLSA-N -1 0 425.462 4.310 50 0 IIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)s1 ZINC000003236146 556806600 /nfs/dbraw/zinc/80/66/00/556806600.db2.gz UEZYZKGMHGWMFM-UHFFFAOYSA-N -1 0 426.869 4.058 50 0 IIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000019632154 556833109 /nfs/dbraw/zinc/83/31/09/556833109.db2.gz WRSHTJITLLTYBC-IAGOWNOFSA-N -1 0 440.565 4.386 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)[C@@H](C(=O)[O-])C1 ZINC000019636292 556835343 /nfs/dbraw/zinc/83/53/43/556835343.db2.gz DJLWLETXZADIIA-IRXDYDNUSA-N -1 0 442.537 4.146 50 0 IIAARM CCc1cc2c([nH]c(=S)n([N-]C(=O)c3cc(Br)c(CC)s3)c2=O)s1 ZINC000019640061 556836926 /nfs/dbraw/zinc/83/69/26/556836926.db2.gz GGKSZRDRHCCIGV-UHFFFAOYSA-N -1 0 444.401 4.453 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000019641728 556837689 /nfs/dbraw/zinc/83/76/89/556837689.db2.gz COGSIPNZUBGEDC-ZCUZBFLBSA-N -1 0 444.597 4.231 50 0 IIAARM Cc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078656 556853672 /nfs/dbraw/zinc/85/36/72/556853672.db2.gz JALXFWXHDGLNPO-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc(OC)c1 ZINC000033173794 556883887 /nfs/dbraw/zinc/88/38/87/556883887.db2.gz MUMXQJIWBZZFFU-UHFFFAOYSA-N -1 0 447.460 4.283 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c(OC)c1 ZINC000033173768 556884015 /nfs/dbraw/zinc/88/40/15/556884015.db2.gz KKGKHXUAFJSXBE-UHFFFAOYSA-N -1 0 447.460 4.283 50 0 IIAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C5CCC5)ccc4n3)CC2)c1 ZINC000033260877 556897671 /nfs/dbraw/zinc/89/76/71/556897671.db2.gz RQGTWEHEGCVNEV-UHFFFAOYSA-N -1 0 444.535 4.307 50 0 IIAARM CCCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21 ZINC000046017512 557020664 /nfs/dbraw/zinc/02/06/64/557020664.db2.gz OBELGMNLVQUKGL-UHFFFAOYSA-N -1 0 433.374 4.098 50 0 IIAARM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000017178268 557037857 /nfs/dbraw/zinc/03/78/57/557037857.db2.gz UQRLFLNMJVGSJY-UHFFFAOYSA-N -1 0 428.460 4.359 50 0 IIAARM COc1cc(CCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc(OC)c1 ZINC000023194773 557072658 /nfs/dbraw/zinc/07/26/58/557072658.db2.gz ZXHKOGYSLKLCSJ-UHFFFAOYSA-N -1 0 446.550 4.137 50 0 IIAARM Cc1cc(C)nc([N-]c2nc(CC(=O)NCc3ccccc3OC(F)(F)F)cs2)n1 ZINC000049029520 557089067 /nfs/dbraw/zinc/08/90/67/557089067.db2.gz QXTHXKPWEUALRF-UHFFFAOYSA-N -1 0 437.447 4.051 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccncc4)cs3)cc2)n1 ZINC000000755407 557170058 /nfs/dbraw/zinc/17/00/58/557170058.db2.gz WZUIPFSYLXAIEW-UHFFFAOYSA-N -1 0 438.538 4.156 50 0 IIAARM O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024860115 557174531 /nfs/dbraw/zinc/17/45/31/557174531.db2.gz GISRNQVNQQTYDE-UHFFFAOYSA-N -1 0 442.468 4.040 50 0 IIAARM CSc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 ZINC000024373845 557189763 /nfs/dbraw/zinc/18/97/63/557189763.db2.gz DELLYSQHALXKPV-UHFFFAOYSA-N -1 0 442.349 4.062 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101022304 557214499 /nfs/dbraw/zinc/21/44/99/557214499.db2.gz JNFUMZBPUHXYAB-NRFANRHFSA-N -1 0 447.495 4.274 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2Cl)cc1 ZINC000024924666 557230259 /nfs/dbraw/zinc/23/02/59/557230259.db2.gz MZVNBASNWXHBOS-UHFFFAOYSA-N -1 0 445.928 4.495 50 0 IIAARM CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167918 557258366 /nfs/dbraw/zinc/25/83/66/557258366.db2.gz LRSPNNQXXIMYPR-QFIPXVFZSA-N -1 0 440.459 4.042 50 0 IIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N1CCc2ccccc2C1 ZINC000101505286 557290179 /nfs/dbraw/zinc/29/01/79/557290179.db2.gz YPMDLUPYESAQRE-UHFFFAOYSA-N -1 0 430.533 4.137 50 0 IIAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1Cl ZINC000101722277 557294706 /nfs/dbraw/zinc/29/47/06/557294706.db2.gz IQMVIPZGAPAWJO-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000102448067 557302112 /nfs/dbraw/zinc/30/21/12/557302112.db2.gz HLIWSJCYYIVFEC-QHCPKHFHSA-N -1 0 440.459 4.386 50 0 IIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101983632 557309850 /nfs/dbraw/zinc/30/98/50/557309850.db2.gz YQZRPTQEYVZQFT-AWEZNQCLSA-N -1 0 438.896 4.197 50 0 IIAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4cccc(C)c4)cc3C(=O)[O-])CC2)c1 ZINC000033078548 557324376 /nfs/dbraw/zinc/32/43/76/557324376.db2.gz AVBALUGAPPTZHD-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2cc(C)cc(C)c2)o1)c1nc(C)cs1 ZINC000103034989 557415939 /nfs/dbraw/zinc/41/59/39/557415939.db2.gz HTEHTQQWPKKMEA-MRXNPFEDSA-N -1 0 431.539 4.126 50 0 IIAARM Cc1c([N-]S(=O)(=O)c2cccc(I)c2)onc1C1CCCCC1 ZINC000225394636 557718018 /nfs/dbraw/zinc/71/80/18/557718018.db2.gz SLCJHSJXOQCXJE-UHFFFAOYSA-N -1 0 446.310 4.436 50 0 IIAARM COc1ccc(OC)c(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000225849758 557785067 /nfs/dbraw/zinc/78/50/67/557785067.db2.gz XHSWOYHXXZTXJJ-LJQANCHMSA-N -1 0 430.888 4.290 50 0 IIAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002102771 562925842 /nfs/dbraw/zinc/92/58/42/562925842.db2.gz JOSWPVGNRRIFGB-UHFFFAOYSA-N -1 0 439.508 4.339 50 0 biogenic IIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000008604993 562956505 /nfs/dbraw/zinc/95/65/05/562956505.db2.gz JOGRCXNFEYPYPN-UHFFFAOYSA-N -1 0 431.602 4.330 50 0 IIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCC(C)CC1 ZINC000008608219 562957409 /nfs/dbraw/zinc/95/74/09/562957409.db2.gz HZCDLAKHLVHBEJ-UHFFFAOYSA-N -1 0 431.602 4.186 50 0 IIAARM Cc1ccc(C2=Nn3c(COc4ccc(Cl)cc4)nnc3S[C@H]2CC(=O)[O-])cc1 ZINC000009643855 562974731 /nfs/dbraw/zinc/97/47/31/562974731.db2.gz ZTNBHTUDQZLVJY-INIZCTEOSA-N -1 0 428.901 4.020 50 0 IIAARM COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)[O-])cn2[C@@H](CO)C(C)C ZINC000029134950 563076088 /nfs/dbraw/zinc/07/60/88/563076088.db2.gz JUZYLCPPVHEVSV-IBGZPJMESA-N -1 0 447.890 4.281 50 0 in-man IIAARM COc1ccc(C(=O)Nc2cc(S(=O)(=O)c3ccc(OC)cc3)c([O-])c(C)c2C)cc1 ZINC000000973922 568647681 /nfs/dbraw/zinc/64/76/81/568647681.db2.gz RLBISSWDRFDUFB-UHFFFAOYSA-N -1 0 441.505 4.111 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](CCCC)C(=O)[O-])cc2oc1=O ZINC000004046519 568759837 /nfs/dbraw/zinc/75/98/37/568759837.db2.gz CPRSRMRUJNBZRN-HXUWFJFHSA-N -1 0 431.529 4.363 50 0 biogenic IIAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000001407380 568787179 /nfs/dbraw/zinc/78/71/79/568787179.db2.gz OHHFJSNBIOIPBB-LFIBNONCSA-N -1 0 437.805 4.005 50 0 IIAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000011995072 568839645 /nfs/dbraw/zinc/83/96/45/568839645.db2.gz FCWWGUYLDIXRDR-AWEZNQCLSA-N -1 0 429.803 4.481 50 0 IIAARM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006156126 568848257 /nfs/dbraw/zinc/84/82/57/568848257.db2.gz GASKOROPHWTUTL-LBPRGKRZSA-N -1 0 437.930 4.003 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239030911 568910449 /nfs/dbraw/zinc/91/04/49/568910449.db2.gz COGSIPNZUBGEDC-CTMXQWGDSA-N -1 0 444.597 4.231 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@H](C)C3)[C@H](C(=O)[O-])C1 ZINC000239403226 568911451 /nfs/dbraw/zinc/91/14/51/568911451.db2.gz RQOCKONQWNUXKZ-MZPVMMEZSA-N -1 0 430.570 4.151 50 0 IIAARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1C12CC3CC(CC(C3)C1)C2 ZINC000006502214 568928129 /nfs/dbraw/zinc/92/81/29/568928129.db2.gz XQNDOTMXRBLJRI-UHFFFAOYSA-N -1 0 426.582 4.457 50 0 IIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064557809 568932122 /nfs/dbraw/zinc/93/21/22/568932122.db2.gz LDBJWZPMBGXIIT-FQEVSTJZSA-N -1 0 439.464 4.166 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589285 568934796 /nfs/dbraw/zinc/93/47/96/568934796.db2.gz SJFNCOVMOHUPSL-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000064590178 568935150 /nfs/dbraw/zinc/93/51/50/568935150.db2.gz ZRKMWVJDXSKOBY-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)COc4ccccc4)c(C(=O)[O-])c3)CC2)c1 ZINC000064590341 568935188 /nfs/dbraw/zinc/93/51/88/568935188.db2.gz YZUWKVAVLBELIS-UHFFFAOYSA-N -1 0 445.519 4.037 50 0 IIAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000016690068 568938566 /nfs/dbraw/zinc/93/85/66/568938566.db2.gz PQINHNWEILYLBU-PBHICJAKSA-N -1 0 448.976 4.077 50 0 IIAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)nc(N2CCCC2)n1 ZINC000064814508 568964045 /nfs/dbraw/zinc/96/40/45/568964045.db2.gz JVPXUNGQKBNTDH-UHFFFAOYSA-N -1 0 445.495 4.208 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000064820538 568967203 /nfs/dbraw/zinc/96/72/03/568967203.db2.gz CUIGRPKGDZQXCE-UHFFFAOYSA-N -1 0 434.540 4.365 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2cccs2)c1C ZINC000064820583 568967246 /nfs/dbraw/zinc/96/72/46/568967246.db2.gz CXIILIHESSWXLX-UHFFFAOYSA-N -1 0 426.542 4.211 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)c3cccc(C)c3N(C)C2=O)cc1 ZINC000036360677 569086650 /nfs/dbraw/zinc/08/66/50/569086650.db2.gz ZLGVACJWNOOCEJ-XMMPIXPASA-N -1 0 448.500 4.035 50 0 IIAARM COc1cccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c1OC ZINC000065010391 569088083 /nfs/dbraw/zinc/08/80/83/569088083.db2.gz SDTZIDDDSWNGFZ-UHFFFAOYSA-N -1 0 443.506 4.283 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000065115945 569107016 /nfs/dbraw/zinc/10/70/16/569107016.db2.gz IGMOLZRDEUIJPC-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000065116103 569107184 /nfs/dbraw/zinc/10/71/84/569107184.db2.gz GRQBRQSMZOZQNV-UHFFFAOYSA-N -1 0 449.916 4.325 50 0 IIAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(Br)c3)C2)cc1 ZINC000170615161 569146619 /nfs/dbraw/zinc/14/66/19/569146619.db2.gz PONBEJXUTVEKLF-IBGZPJMESA-N -1 0 444.329 4.058 50 0 IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013696352 569156703 /nfs/dbraw/zinc/15/67/03/569156703.db2.gz RIXUOZSCNUSBTR-UHFFFAOYSA-N -1 0 434.945 4.229 50 0 IIAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccc(F)cc1 ZINC000016739631 569160653 /nfs/dbraw/zinc/16/06/53/569160653.db2.gz NOEDGJCDBFBMOO-JJRVBVJISA-N -1 0 449.912 4.419 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000002101615 569179930 /nfs/dbraw/zinc/17/99/30/569179930.db2.gz LTJVSVOSLYDRMO-NRFANRHFSA-N -1 0 431.529 4.137 50 0 biogenic IIAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002107614 569181316 /nfs/dbraw/zinc/18/13/16/569181316.db2.gz SLJZRWXCUCLUMO-LJQANCHMSA-N -1 0 427.497 4.465 50 0 biogenic IIAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12)CCCC3 ZINC000002107413 569181329 /nfs/dbraw/zinc/18/13/29/569181329.db2.gz YGXCMYUXDJCCBR-NRFANRHFSA-N -1 0 439.508 4.193 50 0 biogenic IIAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000027551415 569271947 /nfs/dbraw/zinc/27/19/47/569271947.db2.gz SKQCGEMHKXGSSJ-SILNSSARSA-N -1 0 426.513 4.109 50 0 IIAARM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)cc12 ZINC000328592013 569317160 /nfs/dbraw/zinc/31/71/60/569317160.db2.gz NFAMHOPFPRAKHC-HNNXBMFYSA-N -1 0 442.932 4.240 50 0 IIAARM CCOc1cccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c21 ZINC000328600509 569318100 /nfs/dbraw/zinc/31/81/00/569318100.db2.gz YAEVTAXGZINYIA-HXUWFJFHSA-N -1 0 447.491 4.190 50 0 IIAARM O=C(NCc1nc2ccccc2s1)c1cc(Br)c([O-])c(Br)c1 ZINC000095436648 569366522 /nfs/dbraw/zinc/36/65/22/569366522.db2.gz HAXUVJBKBQYTRB-UHFFFAOYSA-N -1 0 442.132 4.457 50 0 IIAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(Br)c3)C2)c1 ZINC000095532085 569374666 /nfs/dbraw/zinc/37/46/66/569374666.db2.gz MLPPYZPNBUAUKS-GOSISDBHSA-N -1 0 431.286 4.000 50 0 IIAARM Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)c(Br)c2)c1Br ZINC000095944088 569375674 /nfs/dbraw/zinc/37/56/74/569375674.db2.gz QRMXYTCCZGXXHS-UHFFFAOYSA-N -1 0 440.544 4.369 50 0 IIAARM Cc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000096361237 569397768 /nfs/dbraw/zinc/39/77/68/569397768.db2.gz ORJFMFKJUPTDTN-UHFFFAOYSA-N -1 0 425.297 4.078 50 0 IIAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002472491 569404427 /nfs/dbraw/zinc/40/44/27/569404427.db2.gz IAJWFABNVLHZAA-YJBOKZPZSA-N -1 0 438.343 4.215 50 0 IIAARM COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)C=C([O-])c2ccc(C)cc2)cc1OC ZINC000670417863 569409919 /nfs/dbraw/zinc/40/99/19/569409919.db2.gz ZIALSNPAEBGWBD-JOCHJYFZSA-N -1 0 445.515 4.195 50 0 IIAARM O=S(=O)([N-]c1ccn(Cc2ccc(Cl)cc2)n1)c1ccc(Br)s1 ZINC000002777519 569420946 /nfs/dbraw/zinc/42/09/46/569420946.db2.gz AVCAQXOETMDVLZ-UHFFFAOYSA-N -1 0 432.752 4.210 50 0 IIAARM CC(=O)c1ccc(NC(=O)Nc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2C)cc1 ZINC000002829269 569423091 /nfs/dbraw/zinc/42/30/91/569423091.db2.gz XCNHQNVGTPBXGO-UHFFFAOYSA-N -1 0 444.538 4.407 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2cc1OCC ZINC000003010254 569435320 /nfs/dbraw/zinc/43/53/20/569435320.db2.gz JSMBCFBJFBNLQN-DOTOQJQBSA-N -1 0 447.601 4.332 50 0 IIAARM COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000030012846 569440347 /nfs/dbraw/zinc/44/03/47/569440347.db2.gz BRYDNTGQRFUDEK-QGZVFWFLSA-N -1 0 436.533 4.396 50 0 IIAARM O=C(c1cc(S(=O)(=O)c2ccccc2)c2nc3ccccc3n2c1)c1cc(F)ccc1[O-] ZINC000003383107 569448933 /nfs/dbraw/zinc/44/89/33/569448933.db2.gz NLWKZODAOYSIKV-UHFFFAOYSA-N -1 0 446.459 4.396 50 0 IIAARM O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O ZINC000003631101 569455364 /nfs/dbraw/zinc/45/53/64/569455364.db2.gz MJCOXQMQBMTDCJ-UHFFFAOYSA-N -1 0 437.521 4.223 50 0 IIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032072248 569459240 /nfs/dbraw/zinc/45/92/40/569459240.db2.gz WTQFVGKGNDMUGK-OAQYLSRUSA-N -1 0 448.350 4.297 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)c3ccccc3N(C)C2=O)cc1 ZINC000032102293 569460119 /nfs/dbraw/zinc/46/01/19/569460119.db2.gz XUEQNIYIFQGHLT-QHCPKHFHSA-N -1 0 434.473 4.376 50 0 IIAARM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032102478 569460123 /nfs/dbraw/zinc/46/01/23/569460123.db2.gz GSGDWCVAUIFAQB-LJQANCHMSA-N -1 0 426.929 4.379 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1C ZINC000008720303 569471584 /nfs/dbraw/zinc/47/15/84/569471584.db2.gz WBLXWJZGXXTNPO-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 ZINC000008961265 569490992 /nfs/dbraw/zinc/49/09/92/569490992.db2.gz WJSJGGLWUKTCBS-UHFFFAOYSA-N -1 0 440.477 4.171 50 0 IIAARM COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000040485618 569506848 /nfs/dbraw/zinc/50/68/48/569506848.db2.gz AGTLAVILCJOGOH-QHCPKHFHSA-N -1 0 445.471 4.455 50 0 IIAARM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(C(=O)c3ccccc3)=NN(c3ccccc3)C2=C1[O-] ZINC000009158213 569508457 /nfs/dbraw/zinc/50/84/57/569508457.db2.gz SDQDUDLLPQLWKJ-RBBKRZOGSA-N -1 0 443.890 4.266 50 0 IIAARM CCCN1c2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009172002 569509494 /nfs/dbraw/zinc/50/94/94/569509494.db2.gz KDNVUZIJBLHKRK-UHFFFAOYSA-N -1 0 446.569 4.274 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000009345827 569524140 /nfs/dbraw/zinc/52/41/40/569524140.db2.gz ZDTSWYWUPWCDBR-NJDAHSKKSA-N -1 0 448.862 4.089 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3nc4cccnc4s3)ccc2C)c1 ZINC000009403994 569529534 /nfs/dbraw/zinc/52/95/34/569529534.db2.gz WGQBWOVSHQWPJC-UHFFFAOYSA-N -1 0 441.534 4.485 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000009670133 569558204 /nfs/dbraw/zinc/55/82/04/569558204.db2.gz JDKHNPFHGKWBPV-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000009715087 569563001 /nfs/dbraw/zinc/56/30/01/569563001.db2.gz MZJYENCMMJZUAJ-UHFFFAOYSA-N -1 0 441.459 4.082 50 0 IIAARM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000010186589 569578456 /nfs/dbraw/zinc/57/84/56/569578456.db2.gz VSLFCMJKORQYNY-UHFFFAOYSA-N -1 0 449.916 4.349 50 0 IIAARM O=C(NCc1ccccn1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000010274398 569580375 /nfs/dbraw/zinc/58/03/75/569580375.db2.gz FJQBPDNOHLDMHS-UHFFFAOYSA-N -1 0 436.924 4.086 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438865 132281921 /nfs/dbraw/zinc/28/19/21/132281921.db2.gz ZVKMUHWMDRJOIX-FGZHOGPDSA-N -1 0 439.943 4.272 50 0 IIAARM Cc1ccc(N2C(=O)c3ccccc3C(=CNNc3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000009579959 132322233 /nfs/dbraw/zinc/32/22/33/132322233.db2.gz NSTQKWOSXXLWLT-HMAPJEAMSA-N -1 0 427.460 4.146 50 0 IIAARM COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1OCc1ccccc1 ZINC000009892662 132330948 /nfs/dbraw/zinc/33/09/48/132330948.db2.gz MMQBGEKJHAZQSD-UHFFFAOYSA-N -1 0 448.519 4.421 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc2oc1=O ZINC000012862034 520137467 /nfs/dbraw/zinc/13/74/67/520137467.db2.gz AWLUIRILKQIGOQ-NYHFZMIOSA-N -1 0 431.529 4.219 50 0 biogenic IIAARM CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CCC(=O)[O-])O[C@@H](C)C2 ZINC000012817545 520792743 /nfs/dbraw/zinc/79/27/43/520792743.db2.gz AXRSUZGTLMFAKW-ZDUSSCGKSA-N -1 0 445.566 4.496 50 0 IIAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)s1 ZINC000033306490 521194931 /nfs/dbraw/zinc/19/49/31/521194931.db2.gz ZFMIVMVWCFJFIN-CSKARUKUSA-N -1 0 447.538 4.373 50 0 IIAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000035377971 521228663 /nfs/dbraw/zinc/22/86/63/521228663.db2.gz HPHWWFFCHOFEFB-CQSZACIVSA-N -1 0 437.525 4.020 50 0 IIAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000035397387 521650721 /nfs/dbraw/zinc/65/07/21/521650721.db2.gz SRCZJXLJADWFRC-UHFFFAOYSA-N -1 0 433.574 4.406 50 0 IIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019638399 521764840 /nfs/dbraw/zinc/76/48/40/521764840.db2.gz KRYNIABVMOXGHP-CVEARBPZSA-N -1 0 443.521 4.138 50 0 IIAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854551 522535611 /nfs/dbraw/zinc/53/56/11/522535611.db2.gz WCZUBZNVSKXBAF-OAQYLSRUSA-N -1 0 433.581 4.279 50 0 IIAARM CCc1[n-]n(-c2ccccc2)c(=O)c1C1=C(N2CCCCC2)C(=O)N(C2CCCCC2)C1=O ZINC000035961232 522638136 /nfs/dbraw/zinc/63/81/36/522638136.db2.gz ZSNFRVLAHOYIBD-UHFFFAOYSA-N -1 0 448.567 4.039 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000020554934 523851180 /nfs/dbraw/zinc/85/11/80/523851180.db2.gz OEJJJVGWANEQRE-UHFFFAOYSA-N -1 0 438.553 4.252 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)s1 ZINC000012441345 524015197 /nfs/dbraw/zinc/01/51/97/524015197.db2.gz WMVBKTMPIHXTFE-UHFFFAOYSA-N -1 0 428.539 4.138 50 0 IIAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2[n-]c1=S ZINC000020645427 524518308 /nfs/dbraw/zinc/51/83/08/524518308.db2.gz YZQHVTREQDBBFY-HZPDHXFCSA-N -1 0 437.565 4.234 50 0 IIAARM Cc1ccc(CNC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017096029 524554405 /nfs/dbraw/zinc/55/44/05/524554405.db2.gz KJLLDQTVLPGJJB-OAHLLOKOSA-N -1 0 428.554 4.305 50 0 IIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1C(=O)N1CCCC1 ZINC000020989769 525413079 /nfs/dbraw/zinc/41/30/79/525413079.db2.gz DCMVMLUKDPNGLJ-UHFFFAOYSA-N -1 0 449.882 4.341 50 0 IIAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)no2)cc1 ZINC000021785976 525728528 /nfs/dbraw/zinc/72/85/28/525728528.db2.gz FXFOWKATDBAIGK-UHFFFAOYSA-N -1 0 440.506 4.160 50 0 IIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(Cl)cc13)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012409306 525933011 /nfs/dbraw/zinc/93/30/11/525933011.db2.gz FCWVSKNIHWBTNI-UHFFFAOYSA-N -1 0 436.874 4.305 50 0 IIAARM CSc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021030418 526139264 /nfs/dbraw/zinc/13/92/64/526139264.db2.gz UZMVWVOHGGSBGJ-UHFFFAOYSA-N -1 0 435.615 4.037 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)C3CCC3)cc21 ZINC000033260876 526348877 /nfs/dbraw/zinc/34/88/77/526348877.db2.gz FSRSWUYZTBQGOS-UHFFFAOYSA-N -1 0 448.498 4.137 50 0 IIAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1I)Cc1ccc(Cl)cc1 ZINC000035141968 527642547 /nfs/dbraw/zinc/64/25/47/527642547.db2.gz CTVDZYOERBRMMV-GFCCVEGCSA-N -1 0 443.668 4.217 50 0 IIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017102401 527658011 /nfs/dbraw/zinc/65/80/11/527658011.db2.gz FHJZVGCDWRDORB-NRERDWFFSA-N -1 0 438.549 4.383 50 0 IIAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000009716771 536165230 /nfs/dbraw/zinc/16/52/30/536165230.db2.gz JWQPXCAPTAWJPH-SFHVURJKSA-N -1 0 425.583 4.032 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)s1 ZINC000000671822 555531621 /nfs/dbraw/zinc/53/16/21/555531621.db2.gz CRWJSQKQKOMKTJ-UHFFFAOYSA-N -1 0 437.934 4.199 50 0 IIAARM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000000790932 555557131 /nfs/dbraw/zinc/55/71/31/555557131.db2.gz OJLYYJQFJMHZKG-UHFFFAOYSA-N -1 0 439.537 4.332 50 0 IIAARM CC(=O)Oc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000000838266 555567396 /nfs/dbraw/zinc/56/73/96/555567396.db2.gz VYMMAEYUBANPSF-UHFFFAOYSA-N -1 0 429.064 4.095 50 0 IIAARM CCOC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001110727 555631417 /nfs/dbraw/zinc/63/14/17/555631417.db2.gz QNVQEVSVEZFECS-UHFFFAOYSA-N -1 0 438.505 4.225 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3c(F)cccc3Cl)cc2)no1 ZINC000001116302 555634608 /nfs/dbraw/zinc/63/46/08/555634608.db2.gz JCGPIGSDDCMUKR-MDZDMXLPSA-N -1 0 435.864 4.228 50 0 IIAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000001158607 555660548 /nfs/dbraw/zinc/66/05/48/555660548.db2.gz NDNBXXNYYHQNNJ-UHFFFAOYSA-N -1 0 427.707 4.236 50 0 IIAARM O=S(=O)([N-]c1ccc(I)cc1)c1cc(Cl)ccc1Cl ZINC000001230742 555686549 /nfs/dbraw/zinc/68/65/49/555686549.db2.gz CMZXFUADUMIBSE-UHFFFAOYSA-N -1 0 428.078 4.399 50 0 IIAARM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000010532094 555693284 /nfs/dbraw/zinc/69/32/84/555693284.db2.gz GAWMXHQUADQTBE-ZDUSSCGKSA-N -1 0 448.957 4.050 50 0 IIAARM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000010532095 555693371 /nfs/dbraw/zinc/69/33/71/555693371.db2.gz GAWMXHQUADQTBE-CYBMUJFWSA-N -1 0 448.957 4.050 50 0 IIAARM CC(C)(C)OC(=O)C[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386820 555774662 /nfs/dbraw/zinc/77/46/62/555774662.db2.gz XXXSUGLINJXRGT-OAHLLOKOSA-N -1 0 425.481 4.100 50 0 IIAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000002398244 555775930 /nfs/dbraw/zinc/77/59/30/555775930.db2.gz QJPSVXJWNBMFKH-UHFFFAOYSA-N -1 0 442.522 4.253 50 0 IIAARM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002659980 555794094 /nfs/dbraw/zinc/79/40/94/555794094.db2.gz QXLAEVPZTGDLHA-UHFFFAOYSA-N -1 0 448.957 4.052 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000004030510 555953800 /nfs/dbraw/zinc/95/38/00/555953800.db2.gz BDEKTWNTRHNGQZ-UHFFFAOYSA-N -1 0 429.542 4.247 50 0 IIAARM COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004178290 555973700 /nfs/dbraw/zinc/97/37/00/555973700.db2.gz FEBYDEFNNKEBIZ-LJQANCHMSA-N -1 0 445.313 4.390 50 0 IIAARM CC1(C)[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@H]1C=C(Cl)Cl ZINC000004417370 555993964 /nfs/dbraw/zinc/99/39/64/555993964.db2.gz USEOXMRMPRBGDU-OCCSQVGLSA-N -1 0 446.381 4.474 50 0 IIAARM O=C([O-])[C@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000004974461 556025095 /nfs/dbraw/zinc/02/50/95/556025095.db2.gz BFBGTMUCHUBFCZ-QFIPXVFZSA-N -1 0 449.459 4.324 50 0 IIAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000008443176 556178018 /nfs/dbraw/zinc/17/80/18/556178018.db2.gz MNICPKYMSKCYEN-LIKPIUCQSA-N -1 0 429.859 4.435 50 0 IIAARM CSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2 ZINC000008452713 556183037 /nfs/dbraw/zinc/18/30/37/556183037.db2.gz CJEDIWPWYVWGLB-HNNXBMFYSA-N -1 0 445.298 4.224 50 0 IIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)C1 ZINC000008454447 556185227 /nfs/dbraw/zinc/18/52/27/556185227.db2.gz ZZAGQSGKZPKVQD-UXHICEINSA-N -1 0 445.512 4.203 50 0 IIAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000008660860 556197315 /nfs/dbraw/zinc/19/73/15/556197315.db2.gz AABPTLHYARZPCT-UHFFFAOYSA-N -1 0 426.288 4.158 50 0 IIAARM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccccc3F)n2)cc1 ZINC000009113592 556247788 /nfs/dbraw/zinc/24/77/88/556247788.db2.gz SNJONJXOELWAGR-BQYQJAHWSA-N -1 0 440.500 4.181 50 0 IIAARM O=C([O-])c1ccc(COc2ccccc2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000009323460 556281444 /nfs/dbraw/zinc/28/14/44/556281444.db2.gz DLDUEYXNGLHGLO-FYJGNVAPSA-N -1 0 446.434 4.196 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000013769531 556304565 /nfs/dbraw/zinc/30/45/65/556304565.db2.gz KUSNJMJTTHZZMZ-NJDAHSKKSA-N -1 0 448.862 4.089 50 0 IIAARM CO[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000013940251 556337632 /nfs/dbraw/zinc/33/76/32/556337632.db2.gz ULOQCXMGMFANAC-GHTZIAJQSA-N -1 0 432.398 4.226 50 0 IIAARM CC1CCC(NC(=O)CSc2nnc(-c3cc(Cl)sc3Cl)c(=O)[n-]2)CC1 ZINC000032778464 556351325 /nfs/dbraw/zinc/35/13/25/556351325.db2.gz KTDZGFPRJUBGSR-UHFFFAOYSA-N -1 0 433.386 4.400 50 0 IIAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)[n-]c2=O)cc1 ZINC000032778593 556351411 /nfs/dbraw/zinc/35/14/11/556351411.db2.gz JMKFJXIZIZBRCR-UHFFFAOYSA-N -1 0 436.415 4.182 50 0 IIAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013005274 556434800 /nfs/dbraw/zinc/43/48/00/556434800.db2.gz PEVZMNRHRBTIOF-ZWKOTPCHSA-N -1 0 448.928 4.055 50 0 IIAARM Cc1c2cc(Br)ccc2oc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000028969954 556465193 /nfs/dbraw/zinc/46/51/93/556465193.db2.gz ICPSAZOSOFFBQI-UHFFFAOYSA-N -1 0 432.299 4.074 50 0 IIAARM Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000109794760 556580148 /nfs/dbraw/zinc/58/01/48/556580148.db2.gz IYGRDGXDYIRQGZ-HDMKZQKVSA-N -1 0 429.494 4.074 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000017096999 556661029 /nfs/dbraw/zinc/66/10/29/556661029.db2.gz KUHQBCNOTVNTAD-HUUCEWRRSA-N -1 0 430.526 4.455 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017097106 556661207 /nfs/dbraw/zinc/66/12/07/556661207.db2.gz IALBRZJPQVODKF-JKSUJKDBSA-N -1 0 430.570 4.295 50 0 IIAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N5CCC[C@H]5C(=O)[O-])c(C)c4cc32)cc1 ZINC000011865573 556665266 /nfs/dbraw/zinc/66/52/66/556665266.db2.gz QBJSOXNWANIQRX-NRFANRHFSA-N -1 0 445.471 4.441 50 0 biogenic IIAARM CC(C)(C)OC(=O)C[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000044460274 556666968 /nfs/dbraw/zinc/66/69/68/556666968.db2.gz STBMKQNEFSJOCS-DEOSSOPVSA-N -1 0 425.481 4.100 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc2oc1=O ZINC000011866807 556666998 /nfs/dbraw/zinc/66/69/98/556666998.db2.gz AWLUIRILKQIGOQ-QRQCRPRQSA-N -1 0 431.529 4.219 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(Nc3cc(-c4ccccc4)nc(C)n3)cc2)n1 ZINC000011906694 556671842 /nfs/dbraw/zinc/67/18/42/556671842.db2.gz MHFZQUSLCJQCHU-UHFFFAOYSA-N -1 0 432.509 4.095 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)/N=c2/sc3ccccc3n2C)cc1 ZINC000100812960 556676579 /nfs/dbraw/zinc/67/65/79/556676579.db2.gz CLIWYOWSTYEBEI-GHVJWSGMSA-N -1 0 437.546 4.090 50 0 IIAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccc(F)cc1 ZINC000226335955 556684569 /nfs/dbraw/zinc/68/45/69/556684569.db2.gz GWXZATDJCJOKKY-QPJJXVBHSA-N -1 0 428.197 4.116 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000019641234 556837404 /nfs/dbraw/zinc/83/74/04/556837404.db2.gz MWEHTOCLEHOHPA-KBMXLJTQSA-N -1 0 444.553 4.225 50 0 IIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000019641713 556837712 /nfs/dbraw/zinc/83/77/12/556837712.db2.gz NKEOQCWUXVQESO-FUICEZJUSA-N -1 0 444.597 4.329 50 0 IIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000019641885 556837899 /nfs/dbraw/zinc/83/78/99/556837899.db2.gz FDEITCCIELITLU-BMFZPTHFSA-N -1 0 444.597 4.397 50 0 IIAARM COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1C ZINC000033078174 556853073 /nfs/dbraw/zinc/85/30/73/556853073.db2.gz WASUJYOADKPDHA-UHFFFAOYSA-N -1 0 441.557 4.021 50 0 IIAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])CC1 ZINC000033253435 556893745 /nfs/dbraw/zinc/89/37/45/556893745.db2.gz VWKJYDQYGZARTC-UHFFFAOYSA-N -1 0 428.554 4.301 50 0 IIAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1Cl ZINC000033253439 556893774 /nfs/dbraw/zinc/89/37/74/556893774.db2.gz AAAAJZREXZNGIH-UHFFFAOYSA-N -1 0 438.933 4.084 50 0 IIAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033253820 556894000 /nfs/dbraw/zinc/89/40/00/556894000.db2.gz AOJCUHDURXHOOW-UHFFFAOYSA-N -1 0 428.485 4.351 50 0 IIAARM CCCn1c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2sc1=O ZINC000046017698 557020808 /nfs/dbraw/zinc/02/08/08/557020808.db2.gz STLPEKOMMNCCPH-UHFFFAOYSA-N -1 0 427.345 4.036 50 0 IIAARM COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)[n-]c2=O)cc1 ZINC000024748001 557161747 /nfs/dbraw/zinc/16/17/47/557161747.db2.gz RPUBWLLALYKZIH-HXUWFJFHSA-N -1 0 436.537 4.099 50 0 IIAARM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]C(=S)N=[S@](C)(=O)c1ccccc1 ZINC000100217599 557248421 /nfs/dbraw/zinc/24/84/21/557248421.db2.gz JNPRESHTVBSTHN-MUUNZHRXSA-N -1 0 433.942 4.475 50 0 IIAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)n(C)c1=S ZINC000101495463 557288934 /nfs/dbraw/zinc/28/89/34/557288934.db2.gz GTKFIHPOKLGUCB-QGZVFWFLSA-N -1 0 425.535 4.222 50 0 IIAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)n(C)c1=S ZINC000101495412 557288994 /nfs/dbraw/zinc/28/89/94/557288994.db2.gz WCCPIBXUBPKHOZ-QGZVFWFLSA-N -1 0 425.535 4.222 50 0 IIAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828772 557300375 /nfs/dbraw/zinc/30/03/75/557300375.db2.gz OHFXEZBGEMMNGB-UHFFFAOYSA-N -1 0 428.423 4.219 50 0 IIAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3CC)cnn21 ZINC000101835433 557301890 /nfs/dbraw/zinc/30/18/90/557301890.db2.gz ITLSCGAQXYZPGM-HXUWFJFHSA-N -1 0 432.480 4.080 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccccc2Cl)C1 ZINC000101835972 557302522 /nfs/dbraw/zinc/30/25/22/557302522.db2.gz WHRABFDKKFSODN-KRWDZBQOSA-N -1 0 429.263 4.426 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000101836319 557302678 /nfs/dbraw/zinc/30/26/78/557302678.db2.gz IOKDDUDGBCTLES-QGZVFWFLSA-N -1 0 429.263 4.426 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000101836649 557303223 /nfs/dbraw/zinc/30/32/23/557303223.db2.gz RXKKAKPFGNSFPO-LJQANCHMSA-N -1 0 438.871 4.171 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Cl)c2)cc1 ZINC000101836655 557303226 /nfs/dbraw/zinc/30/32/26/557303226.db2.gz RXKKAKPFGNSFPO-IBGZPJMESA-N -1 0 438.871 4.171 50 0 IIAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000101997237 557311104 /nfs/dbraw/zinc/31/11/04/557311104.db2.gz VOOMCSJTSLNGRL-SLFFLAALSA-N -1 0 440.908 4.461 50 0 IIAARM CC(C)(C)C(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260754 557329678 /nfs/dbraw/zinc/32/96/78/557329678.db2.gz VXWXKHZYRDPLDY-UHFFFAOYSA-N -1 0 432.524 4.244 50 0 IIAARM COc1ccc(OC)c([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102732396 557371797 /nfs/dbraw/zinc/37/17/97/557371797.db2.gz QCAPIHXQUSPMAK-WXFUMESZSA-N -1 0 444.487 4.063 50 0 IIAARM COc1cc([C@H]2Nc3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748438 557378935 /nfs/dbraw/zinc/37/89/35/557378935.db2.gz RMCXQTFJWULODM-JEOXALJRSA-N -1 0 438.440 4.317 50 0 IIAARM CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1nc2ccccc2[nH]1 ZINC000102783817 557387782 /nfs/dbraw/zinc/38/77/82/557387782.db2.gz FXJWJXQCWZKHEK-ORAYPTAESA-N -1 0 435.553 4.099 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)n1 ZINC000000888885 557856838 /nfs/dbraw/zinc/85/68/38/557856838.db2.gz APZAOQLAMBRBFC-UHFFFAOYSA-N -1 0 442.566 4.015 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])oc1c3CCCC1 ZINC000002100504 562925820 /nfs/dbraw/zinc/92/58/20/562925820.db2.gz MCSJIJZKLQXAGC-IBGZPJMESA-N -1 0 439.508 4.275 50 0 biogenic IIAARM O=C([O-])/C(=C\c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000009466079 562971626 /nfs/dbraw/zinc/97/16/26/562971626.db2.gz YWGKEVXIMHZMLN-KAMYIIQDSA-N -1 0 431.457 4.177 50 0 IIAARM CCc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(Br)c1 ZINC000003626911 568752086 /nfs/dbraw/zinc/75/20/86/568752086.db2.gz MXSHHDLBRORJAB-MRXNPFEDSA-N -1 0 440.721 4.376 50 0 IIAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2SC(F)(F)F)C1=O ZINC000006142188 568845375 /nfs/dbraw/zinc/84/53/75/568845375.db2.gz QUYKHLNQUPLJIY-AWEZNQCLSA-N -1 0 427.425 4.421 50 0 IIAARM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000015870561 568852009 /nfs/dbraw/zinc/85/20/09/568852009.db2.gz OJTJTNCBMZRCQX-UHFFFAOYSA-N -1 0 427.476 4.438 50 0 IIAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccccc1F ZINC000015882143 568856553 /nfs/dbraw/zinc/85/65/53/568856553.db2.gz VVJUYDWBQAMPCV-UHFFFAOYSA-N -1 0 426.517 4.464 50 0 IIAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC ZINC000016101472 568870634 /nfs/dbraw/zinc/87/06/34/568870634.db2.gz YOWMUGJJBXYMHK-UHFFFAOYSA-N -1 0 425.812 4.185 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)s1 ZINC000001770507 568906129 /nfs/dbraw/zinc/90/61/29/568906129.db2.gz YDPOLFBPELUBIO-UHFFFAOYSA-N -1 0 448.595 4.022 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1Cl ZINC000064844961 568971722 /nfs/dbraw/zinc/97/17/22/568971722.db2.gz GKPUEAOXXCYKND-UHFFFAOYSA-N -1 0 428.919 4.491 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000065115997 569107061 /nfs/dbraw/zinc/10/70/61/569107061.db2.gz NCRSTPLVBRLGPM-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cccc(Br)c4)c([O-])c23)C1 ZINC000065150502 569111075 /nfs/dbraw/zinc/11/10/75/569111075.db2.gz JJMMMEFHGSYTFG-SECBINFHSA-N -1 0 433.327 4.435 50 0 IIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)n2CC)o1 ZINC000065186605 569114731 /nfs/dbraw/zinc/11/47/31/569114731.db2.gz MYWWUFSCJCPCRY-UHFFFAOYSA-N -1 0 426.901 4.331 50 0 IIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)NCc1cccs1 ZINC000013850387 569157295 /nfs/dbraw/zinc/15/72/95/569157295.db2.gz ZZOGBELRPQWSAZ-UHFFFAOYSA-N -1 0 426.972 4.123 50 0 IIAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002125787 569184033 /nfs/dbraw/zinc/18/40/33/569184033.db2.gz SCJTWJSBMCKFIF-IBGZPJMESA-N -1 0 433.460 4.345 50 0 biogenic IIAARM CC1(C)Cc2c(sc3nc(Nc4ccccc4)n([N-]C(=O)c4ccco4)c(=O)c23)CO1 ZINC000002207960 569193814 /nfs/dbraw/zinc/19/38/14/569193814.db2.gz JFBCEQNEUZPDNK-UHFFFAOYSA-N -1 0 436.493 4.030 50 0 IIAARM O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000002245030 569213835 /nfs/dbraw/zinc/21/38/35/569213835.db2.gz UIIOLYLFFBIKMD-SFHVURJKSA-N -1 0 437.887 4.181 50 0 IIAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 ZINC000002362018 569287622 /nfs/dbraw/zinc/28/76/22/569287622.db2.gz SDTXXUAWZNDESH-UHFFFAOYSA-N -1 0 436.518 4.425 50 0 IIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Cc1c(Cl)cccc1Cl)CC2 ZINC000012949125 569305122 /nfs/dbraw/zinc/30/51/22/569305122.db2.gz XCUGGJPETWUPBV-KRWDZBQOSA-N -1 0 438.307 4.154 50 0 IIAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000013137290 569311551 /nfs/dbraw/zinc/31/15/51/569311551.db2.gz JIAGZWVFTLLERR-UHFFFAOYSA-N -1 0 448.722 4.007 50 0 IIAARM CCOc1cccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c21 ZINC000328600508 569318115 /nfs/dbraw/zinc/31/81/15/569318115.db2.gz YAEVTAXGZINYIA-FQEVSTJZSA-N -1 0 447.491 4.190 50 0 IIAARM CCOc1ccc2ncc(C(=O)[O-])c(Nc3ccc(I)cc3)c2c1 ZINC000019795511 569329418 /nfs/dbraw/zinc/32/94/18/569329418.db2.gz OKAJGLURLAIEDM-UHFFFAOYSA-N -1 0 434.233 4.102 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020330550 569360819 /nfs/dbraw/zinc/36/08/19/569360819.db2.gz DVBCYDGDKCRHIT-JKIFEVAISA-N -1 0 442.585 4.270 50 0 IIAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096113887 569382645 /nfs/dbraw/zinc/38/26/45/569382645.db2.gz ZIYQQMXOAFZWHZ-MRXNPFEDSA-N -1 0 444.395 4.010 50 0 biogenic IIAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cc1 ZINC000096117568 569384064 /nfs/dbraw/zinc/38/40/64/569384064.db2.gz ADNUHYAGVZCDDF-KRWDZBQOSA-N -1 0 444.310 4.108 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(Cl)cc1Cl ZINC000057342212 569431340 /nfs/dbraw/zinc/43/13/40/569431340.db2.gz TYDYGRKMPDJLQG-UHFFFAOYSA-N -1 0 429.325 4.483 50 0 IIAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F ZINC000003372690 569448548 /nfs/dbraw/zinc/44/85/48/569448548.db2.gz NVQKVCNMBZADPC-UHFFFAOYSA-N -1 0 447.871 4.320 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1C ZINC000003569797 569454203 /nfs/dbraw/zinc/45/42/03/569454203.db2.gz RFQVYLJPSUCLBL-UHFFFAOYSA-N -1 0 432.448 4.335 50 0 IIAARM COc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)cc1 ZINC000003631229 569455369 /nfs/dbraw/zinc/45/53/69/569455369.db2.gz GNICMSBAMFHQTO-UHFFFAOYSA-N -1 0 445.544 4.240 50 0 biogenic IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4ccc(OC)cc4)cc3[n-]c2=S)cc1 ZINC000003632274 569455391 /nfs/dbraw/zinc/45/53/91/569455391.db2.gz FSVVPHYXFPWUSG-UHFFFAOYSA-N -1 0 447.516 4.003 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1C(F)(F)F ZINC000031721788 569457122 /nfs/dbraw/zinc/45/71/22/569457122.db2.gz VVVCDVLEWFQVMI-UHFFFAOYSA-N -1 0 433.473 4.223 50 0 IIAARM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1OC ZINC000031812672 569457755 /nfs/dbraw/zinc/45/77/55/569457755.db2.gz TUOWSASHWBESQR-JOCHJYFZSA-N -1 0 449.532 4.493 50 0 IIAARM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccc(OC)cc42)CC3)cc1 ZINC000031813522 569457932 /nfs/dbraw/zinc/45/79/32/569457932.db2.gz HHMTZBBVSIZKDM-JOCHJYFZSA-N -1 0 449.532 4.493 50 0 IIAARM CC(C)(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000040058357 569484682 /nfs/dbraw/zinc/48/46/82/569484682.db2.gz XCDLJOKZZILZBQ-UHFFFAOYSA-N -1 0 445.566 4.259 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000008961047 569490924 /nfs/dbraw/zinc/49/09/24/569490924.db2.gz SJPABWBFXBMSEP-UHFFFAOYSA-N -1 0 438.505 4.495 50 0 IIAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc21 ZINC000040450145 569506252 /nfs/dbraw/zinc/50/62/52/569506252.db2.gz BKXURPAAHALJLZ-UHFFFAOYSA-N -1 0 443.750 4.121 50 0 IIAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2)c1 ZINC000040312869 569498930 /nfs/dbraw/zinc/49/89/30/569498930.db2.gz SESSQKLHUSCRIH-GOSISDBHSA-N -1 0 441.285 4.050 50 0 biogenic IIAARM O=C([O-])c1ccc(NN2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000009086599 569500682 /nfs/dbraw/zinc/50/06/82/569500682.db2.gz XCLRHJNPXYKTOV-CJRSTVEYSA-N -1 0 438.483 4.450 50 0 IIAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Br)cc2C[C@@H]1C ZINC000040450583 569506383 /nfs/dbraw/zinc/50/63/83/569506383.db2.gz ARLNIGUKAAXZPB-JTQLQIEISA-N -1 0 443.750 4.201 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1)occ3C(C)(C)C ZINC000009306481 569521325 /nfs/dbraw/zinc/52/13/25/569521325.db2.gz WHEPKPBGDYNKDV-CQSZACIVSA-N -1 0 425.481 4.011 50 0 IIAARM Cc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000009315965 569522177 /nfs/dbraw/zinc/52/21/77/569522177.db2.gz VCKQIUIFLMBCDI-UHFFFAOYSA-N -1 0 436.320 4.284 50 0 IIAARM Cc1ncc2c(c1O)[C@@H](c1c([O-])n(-c3ccccc3)c(=S)n(-c3ccccc3)c1=O)OC2 ZINC000009462629 569537271 /nfs/dbraw/zinc/53/72/71/569537271.db2.gz MDQRSKCLOFDCGY-NRFANRHFSA-N -1 0 445.500 4.092 50 0 IIAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCCCCC1)nc3-c1ccccc1 ZINC000009560303 569547060 /nfs/dbraw/zinc/54/70/60/569547060.db2.gz NIFAXSBJGRCEAW-UHFFFAOYSA-N -1 0 444.539 4.354 50 0 IIAARM CCOc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)cc4OC)cc(C(=O)[O-])c32)cc1 ZINC000009597459 569550924 /nfs/dbraw/zinc/55/09/24/569550924.db2.gz SVJZDJKCGPNPTF-UHFFFAOYSA-N -1 0 449.463 4.415 50 0 IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009645913 569556193 /nfs/dbraw/zinc/55/61/93/569556193.db2.gz LVIUDXPDFGAIHL-UHFFFAOYSA-N -1 0 445.518 4.164 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000009707422 569561511 /nfs/dbraw/zinc/56/15/11/569561511.db2.gz SDDLTDQEJMHHHH-UHFFFAOYSA-N -1 0 449.532 4.120 50 0 IIAARM Cc1cc(C)cc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000009828535 569569730 /nfs/dbraw/zinc/56/97/30/569569730.db2.gz CQKYIKOREQWHBS-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1 ZINC000009828597 569569803 /nfs/dbraw/zinc/56/98/03/569569803.db2.gz AJCAKHPFRRKFBH-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM Cc1c(S(=O)(=O)[N-]c2ccccn2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000065008787 569583144 /nfs/dbraw/zinc/58/31/44/569583144.db2.gz SUUBMTXLUCQOLQ-UHFFFAOYSA-N -1 0 444.969 4.973 50 0 IIAARM COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000033304997 569587502 /nfs/dbraw/zinc/58/75/02/569587502.db2.gz YMQYNXDVXWFISZ-UNOMPAQXSA-N -1 0 429.457 4.498 50 0 IIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c3ccc(O)cc3)c(=O)oc1c2C ZINC000015956190 939031144 /nfs/dbraw/zinc/03/11/44/939031144.db2.gz AQOFRUWLFYIEOR-OAQYLSRUSA-N -1 0 449.459 4.045 50 0 IIAARM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088662 193878199 /nfs/dbraw/zinc/87/81/99/193878199.db2.gz IEEYAOZRFWPLEB-GOSISDBHSA-N -1 0 431.539 4.048 50 0 IIAARM O=C([O-])CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006183155 193888994 /nfs/dbraw/zinc/88/89/94/193888994.db2.gz DZVNTEUVHMSTAW-UHFFFAOYSA-N -1 0 427.322 4.004 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000627098 132227898 /nfs/dbraw/zinc/22/78/98/132227898.db2.gz RNFJMPQXXDPAJR-YADHBBJMSA-N -1 0 439.943 4.272 50 0 IIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438876 132281919 /nfs/dbraw/zinc/28/19/19/132281919.db2.gz UHYVKCFGCZBJQD-VXKWHMMOSA-N -1 0 441.959 4.496 50 0 IIAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1Cl ZINC000009109038 132303071 /nfs/dbraw/zinc/30/30/71/132303071.db2.gz VOUKCSHUPLLTMQ-DEOSSOPVSA-N -1 0 433.895 4.063 50 0 IIAARM CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC000035377938 519750149 /nfs/dbraw/zinc/75/01/49/519750149.db2.gz IUCILGMRJWJIOS-UHFFFAOYSA-N -1 0 445.504 4.087 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2Cl)cc1 ZINC000012604902 521129785 /nfs/dbraw/zinc/12/97/85/521129785.db2.gz JIOCNLDODHXIPR-UHFFFAOYSA-N -1 0 448.928 4.405 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)c(Cl)cc2Cl)cc1 ZINC000012605210 521131426 /nfs/dbraw/zinc/13/14/26/521131426.db2.gz KZKCTERQRXBXBK-UHFFFAOYSA-N -1 0 443.352 4.429 50 0 IIAARM CCC(=O)Nc1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260732 521219463 /nfs/dbraw/zinc/21/94/63/521219463.db2.gz VIAIVSPSAPMKPW-UHFFFAOYSA-N -1 0 438.915 4.262 50 0 IIAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000022853405 521301808 /nfs/dbraw/zinc/30/18/08/521301808.db2.gz PQINHNWEILYLBU-YOEHRIQHSA-N -1 0 448.976 4.077 50 0 IIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000035557205 521521106 /nfs/dbraw/zinc/52/11/06/521521106.db2.gz GLFAGSKZYZRTCJ-UHFFFAOYSA-N -1 0 433.511 4.043 50 0 IIAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)on1 ZINC000021540587 521793615 /nfs/dbraw/zinc/79/36/15/521793615.db2.gz IVMFIRGDFVAHOH-UHFFFAOYSA-N -1 0 432.401 4.009 50 0 IIAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3ccccc3Cl)cc2)[n-]c1=O ZINC000034763389 522155926 /nfs/dbraw/zinc/15/59/26/522155926.db2.gz CLHCUALIJWZFME-OAHLLOKOSA-N -1 0 440.931 4.324 50 0 IIAARM CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854536 522537252 /nfs/dbraw/zinc/53/72/52/522537252.db2.gz YHGDWKBQIFBGHL-FQEVSTJZSA-N -1 0 437.544 4.110 50 0 IIAARM CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(C)c1 ZINC000035377879 523086743 /nfs/dbraw/zinc/08/67/43/523086743.db2.gz GNBBHQKDJZIQIK-GOSISDBHSA-N -1 0 437.525 4.020 50 0 IIAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2[n-]c1=S ZINC000020645425 524518103 /nfs/dbraw/zinc/51/81/03/524518103.db2.gz YZQHVTREQDBBFY-IYBDPMFKSA-N -1 0 437.565 4.234 50 0 IIAARM Cc1coc2c1cc1c(C)c(CCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(=O)oc1c2C ZINC000252693834 526292121 /nfs/dbraw/zinc/29/21/21/526292121.db2.gz FWLLEWNFSNSKFX-QAQDUYKDSA-N -1 0 439.508 4.404 50 0 biogenic IIAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(-c2ccno2)cc1 ZINC000035539477 526865764 /nfs/dbraw/zinc/86/57/64/526865764.db2.gz PQHZMQUTVMUHMZ-UHFFFAOYSA-N -1 0 428.495 4.440 50 0 IIAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000012552369 526979871 /nfs/dbraw/zinc/97/98/71/526979871.db2.gz SKKLCDGCJBAILW-UHFFFAOYSA-N -1 0 429.723 4.030 50 0 IIAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626896 527207086 /nfs/dbraw/zinc/20/70/86/527207086.db2.gz KDXOGMTVVLRMEZ-LJQANCHMSA-N -1 0 439.972 4.370 50 0 IIAARM O=C(Nc1nc2ccccc2s1)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000021931265 527516187 /nfs/dbraw/zinc/51/61/87/527516187.db2.gz UULDJUSTBKBRIN-UHFFFAOYSA-N -1 0 444.925 4.398 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000020533996 527560587 /nfs/dbraw/zinc/56/05/87/527560587.db2.gz LKOYZLIGMJJMQB-OHTDUKGKSA-N -1 0 445.474 4.475 50 0 IIAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000676844 555535228 /nfs/dbraw/zinc/53/52/28/555535228.db2.gz KVOITWAARPPUJP-HNNXBMFYSA-N -1 0 445.566 4.475 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000000676985 555535485 /nfs/dbraw/zinc/53/54/85/555535485.db2.gz DSRPCWRNWZTFMF-UHFFFAOYSA-N -1 0 437.308 4.145 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)no1 ZINC000000689166 555541670 /nfs/dbraw/zinc/54/16/70/555541670.db2.gz YOMDQBDUGMGLGI-UHFFFAOYSA-N -1 0 443.525 4.099 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1sc2ccccc2c1Cl ZINC000000944841 555587957 /nfs/dbraw/zinc/58/79/57/555587957.db2.gz UUVHEZMXKRXNHR-UHFFFAOYSA-N -1 0 444.925 4.398 50 0 IIAARM CSc1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)n1C ZINC000001038334 555609160 /nfs/dbraw/zinc/60/91/60/555609160.db2.gz NQHLSGJVKFOGAI-UHFFFAOYSA-N -1 0 434.490 4.085 50 0 IIAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1F)Nc1ccc(Cl)cc1Cl ZINC000001106888 555629629 /nfs/dbraw/zinc/62/96/29/555629629.db2.gz CEYIZUAYYFNQFD-UHFFFAOYSA-N -1 0 440.283 4.115 50 0 IIAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000001196097 555676634 /nfs/dbraw/zinc/67/66/34/555676634.db2.gz LEXNYPFKOUWDGT-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000001773806 555714010 /nfs/dbraw/zinc/71/40/10/555714010.db2.gz AVJFISPPWLFDPR-UHFFFAOYSA-N -1 0 431.539 4.050 50 0 IIAARM COc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1OC ZINC000002244145 555761572 /nfs/dbraw/zinc/76/15/72/555761572.db2.gz XJRGWWYKCGWQHH-JOCHJYFZSA-N -1 0 447.487 4.238 50 0 IIAARM CCCC[S@](=N)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583232 555788918 /nfs/dbraw/zinc/78/89/18/555788918.db2.gz CXROORFJJGVDFQ-BGOLNKOXSA-N -1 0 444.553 4.215 50 0 IIAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 ZINC000002884771 555857447 /nfs/dbraw/zinc/85/74/47/555857447.db2.gz POMJUSKKHDVFQZ-UHFFFAOYSA-N -1 0 446.488 4.069 50 0 IIAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004417375 555993999 /nfs/dbraw/zinc/99/39/99/555993999.db2.gz USEOXMRMPRBGDU-JSGCOSHPSA-N -1 0 446.381 4.474 50 0 IIAARM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088663 556075958 /nfs/dbraw/zinc/07/59/58/556075958.db2.gz YTGWXHORXYKYRY-GOSISDBHSA-N -1 0 431.539 4.048 50 0 IIAARM Cc1ccccc1-n1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000008432679 556172039 /nfs/dbraw/zinc/17/20/39/556172039.db2.gz UECXPGDFTFJOFE-XJKSGUPXSA-N -1 0 444.578 4.418 50 0 IIAARM Cc1ccccc1-n1c(S[C@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000008432680 556172138 /nfs/dbraw/zinc/17/21/38/556172138.db2.gz UECXPGDFTFJOFE-CZUORRHYSA-N -1 0 444.578 4.418 50 0 IIAARM Cc1ccc(OCC(=O)Nc2cc(NC(=O)COc3ccc(C)cc3)cc(C(=O)[O-])c2)cc1 ZINC000009144492 556249243 /nfs/dbraw/zinc/24/92/43/556249243.db2.gz YBQYBEGHLISGNX-UHFFFAOYSA-N -1 0 448.475 4.037 50 0 IIAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009635851 556304311 /nfs/dbraw/zinc/30/43/11/556304311.db2.gz RVFXUZRQABSKON-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM CN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032588282 556405151 /nfs/dbraw/zinc/40/51/51/556405151.db2.gz BTYOCXWJRMEOQB-UHFFFAOYSA-N -1 0 426.313 4.187 50 0 IIAARM Cc1cccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2CC(=O)[O-])c1 ZINC000013023143 556439940 /nfs/dbraw/zinc/43/99/40/556439940.db2.gz YIPAPCACMGLXDT-UHFFFAOYSA-N -1 0 431.901 4.150 50 0 IIAARM Cc1cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000013606999 556532993 /nfs/dbraw/zinc/53/29/93/556532993.db2.gz RCQUDHBQDWBEEX-UHFFFAOYSA-N -1 0 439.508 4.319 50 0 IIAARM O=C([O-])[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038469974 556612629 /nfs/dbraw/zinc/61/26/29/556612629.db2.gz LORJESUTFPMFAV-XMMPIXPASA-N -1 0 442.471 4.408 50 0 IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2sc(NC(C)=O)nc2c(C)c1 ZINC000033007783 556656576 /nfs/dbraw/zinc/65/65/76/556656576.db2.gz FVILPLVINXRHOO-UHFFFAOYSA-N -1 0 425.919 4.026 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000017096997 556661007 /nfs/dbraw/zinc/66/10/07/556661007.db2.gz KUHQBCNOTVNTAD-CABCVRRESA-N -1 0 430.526 4.455 50 0 IIAARM COc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)[O-])sc2c1CCCC2 ZINC000017097015 556661013 /nfs/dbraw/zinc/66/10/13/556661013.db2.gz WRVGVJGBOGNYAV-ZDUSSCGKSA-N -1 0 430.526 4.327 50 0 IIAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238937390 556682218 /nfs/dbraw/zinc/68/22/18/556682218.db2.gz VAXQAZBOHNLPNM-BZSNNMDCSA-N -1 0 443.540 4.219 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000003230819 556806043 /nfs/dbraw/zinc/80/60/43/556806043.db2.gz LQGSGYDAZSSMEP-UHFFFAOYSA-N -1 0 428.535 4.299 50 0 IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000097940897 556810612 /nfs/dbraw/zinc/81/06/12/556810612.db2.gz LMAKOYBKYQKKFY-UHFFFAOYSA-N -1 0 442.541 4.022 50 0 IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000097940896 556810777 /nfs/dbraw/zinc/81/07/77/556810777.db2.gz JDPKNCVJSVYVRC-UHFFFAOYSA-N -1 0 442.541 4.022 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)nc(C)n1 ZINC000003300555 556811302 /nfs/dbraw/zinc/81/13/02/556811302.db2.gz ICHNNAYKRACFSQ-UHFFFAOYSA-N -1 0 446.532 4.229 50 0 IIAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)[O-])CC2)cc1 ZINC000033078494 556853410 /nfs/dbraw/zinc/85/34/10/556853410.db2.gz NAIYLYANASHYHA-UHFFFAOYSA-N -1 0 443.503 4.166 50 0 IIAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1 ZINC000033173888 556883979 /nfs/dbraw/zinc/88/39/79/556883979.db2.gz HPDQIPDWTNQSHR-UHFFFAOYSA-N -1 0 445.444 4.053 50 0 IIAARM CSc1ccc(NC(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)cc1 ZINC000097112542 556989516 /nfs/dbraw/zinc/98/95/16/556989516.db2.gz ORUUMDJSSCVCSR-UHFFFAOYSA-N -1 0 431.521 4.002 50 0 IIAARM O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017305092 557052025 /nfs/dbraw/zinc/05/20/25/557052025.db2.gz IQWPHOREOGQZAI-UHFFFAOYSA-N -1 0 425.293 4.317 50 0 IIAARM CCCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000033275369 557053831 /nfs/dbraw/zinc/05/38/31/557053831.db2.gz XXLLRGPNVQBARY-UHFFFAOYSA-N -1 0 437.569 4.249 50 0 IIAARM Cc1ccc(-n2c3nc(SCC(=O)N4CCCC[C@H]4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948611 557056641 /nfs/dbraw/zinc/05/66/41/557056641.db2.gz RRUMNNQRZDMOJC-CYBMUJFWSA-N -1 0 446.623 4.306 50 0 IIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)s1 ZINC000033306454 557085389 /nfs/dbraw/zinc/08/53/89/557085389.db2.gz ZDZMUUCMGKLVTN-SOFGYWHQSA-N -1 0 435.502 4.422 50 0 IIAARM O=C([O-])/C(=C\C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)c1ccccc1 ZINC000000627020 557121852 /nfs/dbraw/zinc/12/18/52/557121852.db2.gz QMKMPTNZDHDSDL-MOHJPFBDSA-N -1 0 445.494 4.259 50 0 IIAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nc(=O)c3sccc3[n-]1)CC2 ZINC000023956708 557128080 /nfs/dbraw/zinc/12/80/80/557128080.db2.gz PKALLSHWMQQRAP-QFIPXVFZSA-N -1 0 433.533 4.150 50 0 IIAARM CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000024103155 557137481 /nfs/dbraw/zinc/13/74/81/557137481.db2.gz CQNBCFJHZSOCAV-UHFFFAOYSA-N -1 0 448.722 4.073 50 0 IIAARM CN(C)C(=O)[C@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1)c1ccccc1 ZINC000024747039 557161278 /nfs/dbraw/zinc/16/12/78/557161278.db2.gz YVJSSOWSBQKJCT-HXUWFJFHSA-N -1 0 436.581 4.387 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccs1 ZINC000003171213 557182022 /nfs/dbraw/zinc/18/20/22/557182022.db2.gz LXXCHUVPDPYLBJ-UHFFFAOYSA-N -1 0 440.506 4.007 50 0 IIAARM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000026540491 557244177 /nfs/dbraw/zinc/24/41/77/557244177.db2.gz JTPHMEGQISEATD-UHFFFAOYSA-N -1 0 441.347 4.167 50 0 IIAARM CC(C)(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)[n-]c2=O)cc1 ZINC000018157959 557244590 /nfs/dbraw/zinc/24/45/90/557244590.db2.gz RJYFNSQGVJCSDS-UHFFFAOYSA-N -1 0 426.517 4.335 50 0 IIAARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(O)ccc2cc(Br)ccc21 ZINC000000820701 557267431 /nfs/dbraw/zinc/26/74/31/557267431.db2.gz ACAKTFTWQUHEJK-LICLKQGHSA-N -1 0 443.684 4.423 50 0 IIAARM CCn1c(=O)c(-c2nc(-c3cccc(Br)c3)no2)c([O-])c2ccc(F)cc21 ZINC000101724726 557295138 /nfs/dbraw/zinc/29/51/38/557295138.db2.gz BUVQSOOOJSVWDK-UHFFFAOYSA-N -1 0 430.233 4.346 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C)c(Cl)c3)c(=O)c1=2 ZINC000102479021 557324076 /nfs/dbraw/zinc/32/40/76/557324076.db2.gz GOHPDIHITQMBML-PMACEKPBSA-N -1 0 449.898 4.414 50 0 IIAARM Cc1oc(-c2ccccc2C)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102479176 557329911 /nfs/dbraw/zinc/32/99/11/557329911.db2.gz ZNLVYYMBRSIKBG-OALUTQOASA-N -1 0 435.871 4.105 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)cc1 ZINC000102479104 557340206 /nfs/dbraw/zinc/34/02/06/557340206.db2.gz BUZDWLFBIOWMIE-UXHICEINSA-N -1 0 449.898 4.359 50 0 IIAARM O=C(c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1)N1CCc2ccccc2C1 ZINC000102750886 557382855 /nfs/dbraw/zinc/38/28/55/557382855.db2.gz AZMJRCBRZVUNDK-UHFFFAOYSA-N -1 0 433.558 4.367 50 0 IIAARM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3cc(Br)cnc3Cl)c2C1 ZINC000408518415 557412321 /nfs/dbraw/zinc/41/23/21/557412321.db2.gz GJLPFZZARHBENO-UHFFFAOYSA-N -1 0 444.782 4.270 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc(OC)c1OC ZINC000044921160 557540930 /nfs/dbraw/zinc/54/09/30/557540930.db2.gz ZSBPDWAGPJLZSE-HNNXBMFYSA-N -1 0 440.427 4.464 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)ccc1Br ZINC000045961637 557555296 /nfs/dbraw/zinc/55/52/96/557555296.db2.gz QEPVZIJSLNFTEH-UHFFFAOYSA-N -1 0 443.388 4.246 50 0 IIAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C(O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000014128758 557836546 /nfs/dbraw/zinc/83/65/46/557836546.db2.gz OOUCFCQIQLLUSZ-FRQCXROJSA-N -1 0 442.890 4.293 50 0 IIAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)c1 ZINC000002416834 562927555 /nfs/dbraw/zinc/92/75/55/562927555.db2.gz KUHZWBIJNLPUBL-UHFFFAOYSA-N -1 0 448.504 4.080 50 0 aggregator IIAARM O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000013120591 562984661 /nfs/dbraw/zinc/98/46/61/562984661.db2.gz DLDUEYXNGLHGLO-BKUYFWCQSA-N -1 0 446.434 4.196 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000015936995 563019094 /nfs/dbraw/zinc/01/90/94/563019094.db2.gz OCTAEBMTFXYRGK-CJNGLKHVSA-N -1 0 428.558 4.024 50 0 IIAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253331 568615317 /nfs/dbraw/zinc/61/53/17/568615317.db2.gz MSRRSLITLSUSJL-UHFFFAOYSA-N -1 0 446.475 4.490 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)c1C ZINC000000908235 568636469 /nfs/dbraw/zinc/63/64/69/568636469.db2.gz MEINCMBQLTYOMZ-UHFFFAOYSA-N -1 0 425.466 4.399 50 0 IIAARM COc1ccc(NC(=O)CCc2ccsc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000025167288 568645853 /nfs/dbraw/zinc/64/58/53/568645853.db2.gz FWKVNNLVGURUSO-UHFFFAOYSA-N -1 0 434.514 4.268 50 0 IIAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763356 568737965 /nfs/dbraw/zinc/73/79/65/568737965.db2.gz IQKQPKJLFAFJJM-UHFFFAOYSA-N -1 0 434.540 4.105 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1Br)CC2 ZINC000015781994 568826212 /nfs/dbraw/zinc/82/62/12/568826212.db2.gz BMTPDNLIEUWIJV-MRXNPFEDSA-N -1 0 449.301 4.072 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000006116382 568828519 /nfs/dbraw/zinc/82/85/19/568828519.db2.gz OGBYLXMAFWODNT-CVEARBPZSA-N -1 0 438.340 4.103 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000006116387 568828702 /nfs/dbraw/zinc/82/87/02/568828702.db2.gz OGBYLXMAFWODNT-JKSUJKDBSA-N -1 0 438.340 4.103 50 0 IIAARM COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000006250926 568837767 /nfs/dbraw/zinc/83/77/67/568837767.db2.gz PNQKLSXXEIGJCR-SYZQJQIISA-N -1 0 426.469 4.287 50 0 IIAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000006144304 568846004 /nfs/dbraw/zinc/84/60/04/568846004.db2.gz AVMGLHIAHUGDSM-OAHLLOKOSA-N -1 0 427.453 4.055 50 0 IIAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)[O-] ZINC000237495573 568876851 /nfs/dbraw/zinc/87/68/51/568876851.db2.gz LCRXLONULWHBFE-IBGZPJMESA-N -1 0 440.503 4.297 50 0 IIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239038893 568910546 /nfs/dbraw/zinc/91/05/46/568910546.db2.gz FDEITCCIELITLU-FVQBIDKESA-N -1 0 444.597 4.397 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000239377820 568911387 /nfs/dbraw/zinc/91/13/87/568911387.db2.gz OCUXDLNCESLBAS-VNQPRFMTSA-N -1 0 442.537 4.001 50 0 IIAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(N2CCCCC2)n1 ZINC000064801898 568961871 /nfs/dbraw/zinc/96/18/71/568961871.db2.gz CWMVPXBSZRLMCY-UHFFFAOYSA-N -1 0 441.532 4.459 50 0 IIAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820765 568967208 /nfs/dbraw/zinc/96/72/08/568967208.db2.gz GWVNQENBTMCIRD-UHFFFAOYSA-N -1 0 440.931 4.320 50 0 IIAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000064843295 568971270 /nfs/dbraw/zinc/97/12/70/568971270.db2.gz WARWUEXTTMZDKK-UHFFFAOYSA-N -1 0 445.928 4.179 50 0 IIAARM Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3cccc(C(=O)[O-])c3)o1)CC(=O)N2 ZINC000036359177 569085692 /nfs/dbraw/zinc/08/56/92/569085692.db2.gz XYRGCENPACSXHG-AWEZNQCLSA-N -1 0 449.854 4.056 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000065060231 569095843 /nfs/dbraw/zinc/09/58/43/569095843.db2.gz HSCORGNFEKJREY-UHFFFAOYSA-N -1 0 434.539 4.335 50 0 IIAARM COc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1Cl ZINC000037019021 569139626 /nfs/dbraw/zinc/13/96/26/569139626.db2.gz LWOBIILIARMYRT-UKVQZPPCSA-N -1 0 448.928 4.437 50 0 IIAARM CCCc1ccc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000089960462 569168954 /nfs/dbraw/zinc/16/89/54/569168954.db2.gz HXPYATNKZYVCTA-MLGOLLRUSA-N -1 0 443.447 4.111 50 0 IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])c4ccc(O)cc4)c(C)c3cc2c1C ZINC000002111689 569181980 /nfs/dbraw/zinc/18/19/80/569181980.db2.gz LCMMHNPAQKCQNF-QHCPKHFHSA-N -1 0 449.459 4.045 50 0 biogenic IIAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002117320 569182460 /nfs/dbraw/zinc/18/24/60/569182460.db2.gz VVJSGHRIWRRTGK-SFHVURJKSA-N -1 0 427.497 4.447 50 0 biogenic IIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc12 ZINC000002118747 569182659 /nfs/dbraw/zinc/18/26/59/569182659.db2.gz NPNXPEDOEOOBKV-UHFFFAOYSA-N -1 0 427.497 4.367 50 0 biogenic IIAARM Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccccc2I)c1 ZINC000027496812 569215812 /nfs/dbraw/zinc/21/58/12/569215812.db2.gz BXSMGFAICUXEBF-HNNXBMFYSA-N -1 0 437.277 4.180 50 0 IIAARM COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc(OC)c1OC ZINC000253400771 569264796 /nfs/dbraw/zinc/26/47/96/569264796.db2.gz FEAJSMWJJAMBDH-KRWDZBQOSA-N -1 0 434.444 4.090 50 0 biogenic IIAARM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3nnc(-c4ccc(F)c(F)c4)o3)c2)n1 ZINC000253428726 569267649 /nfs/dbraw/zinc/26/76/49/569267649.db2.gz NXRSLBJHMMAXMR-UHFFFAOYSA-N -1 0 434.449 4.248 50 0 IIAARM CCOC(=O)NC([N-]c1sc(C)c(CC)c1C(=O)OC)(C(F)(F)F)C(F)(F)F ZINC000002304682 569271716 /nfs/dbraw/zinc/27/17/16/569271716.db2.gz NRAPGVHBFUQANY-UHFFFAOYSA-N -1 0 436.374 4.384 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(C)cc2)cc1 ZINC000002418749 569301775 /nfs/dbraw/zinc/30/17/75/569301775.db2.gz YPKYAUOOQMUVQV-UHFFFAOYSA-N -1 0 434.521 4.360 50 0 IIAARM O=C([O-])c1cc(OC2CCCCC2)c(F)cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000078899966 569320102 /nfs/dbraw/zinc/32/01/02/569320102.db2.gz WGZLKMOQZSUWPL-UHFFFAOYSA-N -1 0 435.473 4.066 50 0 IIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000019644494 569325172 /nfs/dbraw/zinc/32/51/72/569325172.db2.gz PXEMCJIXSJJZKE-HXUWFJFHSA-N -1 0 446.484 4.061 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NC4CCCCC4)c3=O)c2c1 ZINC000020331304 569361002 /nfs/dbraw/zinc/36/10/02/569361002.db2.gz JDPXADIZDIHQLC-UHFFFAOYSA-N -1 0 428.558 4.168 50 0 IIAARM Cc1oc(CNC(=O)Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C(=O)[O-] ZINC000095425166 569365911 /nfs/dbraw/zinc/36/59/11/569365911.db2.gz VRXPIWYDQAJGEQ-UHFFFAOYSA-N -1 0 432.432 4.144 50 0 IIAARM O=C([O-])C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1cccc(Br)c1 ZINC000095463877 569370433 /nfs/dbraw/zinc/37/04/33/569370433.db2.gz VWLWQWJAOCAIPN-HNNXBMFYSA-N -1 0 433.233 4.189 50 0 IIAARM CC(C)n1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1 ZINC000096114183 569382771 /nfs/dbraw/zinc/38/27/71/569382771.db2.gz SCHOYQFWXHFROD-INIZCTEOSA-N -1 0 432.432 4.090 50 0 biogenic IIAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1O ZINC000096116105 569383587 /nfs/dbraw/zinc/38/35/87/569383587.db2.gz WPTILOUEFDZEIH-OAHLLOKOSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002472488 569404413 /nfs/dbraw/zinc/40/44/13/569404413.db2.gz IAJWFABNVLHZAA-CRAIPNDOSA-N -1 0 438.343 4.215 50 0 IIAARM CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000002891918 569424527 /nfs/dbraw/zinc/42/45/27/569424527.db2.gz HYPUYGMSBSCMEO-LICLKQGHSA-N -1 0 433.869 4.443 50 0 IIAARM O=C(NC1CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043904 569438504 /nfs/dbraw/zinc/43/85/04/569438504.db2.gz IIAOICGFWYGUHN-UHFFFAOYSA-N -1 0 427.957 4.449 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1OC(F)(F)F ZINC000031721695 569457134 /nfs/dbraw/zinc/45/71/34/569457134.db2.gz VTRLTADBPKKOAJ-UHFFFAOYSA-N -1 0 449.472 4.102 50 0 IIAARM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4c2cccc4OC)CC3)cc1 ZINC000031815037 569457935 /nfs/dbraw/zinc/45/79/35/569457935.db2.gz LWJZICHEBPDXAW-QFIPXVFZSA-N -1 0 449.532 4.493 50 0 IIAARM COC(=O)c1ccc(Sc2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000008782063 569475778 /nfs/dbraw/zinc/47/57/78/569475778.db2.gz BPPYHOAQWRCJJL-UHFFFAOYSA-N -1 0 434.926 4.474 50 0 IIAARM CCCc1oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2c1C(=O)OCC ZINC000008834631 569477942 /nfs/dbraw/zinc/47/79/42/569477942.db2.gz GDJHEVSIRMEWDG-UHFFFAOYSA-N -1 0 431.466 4.061 50 0 IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000040115210 569489215 /nfs/dbraw/zinc/48/92/15/569489215.db2.gz PZUYYLMIEKZIKW-MRXNPFEDSA-N -1 0 448.850 4.277 50 0 IIAARM O=C([O-])CSc1nnc(COc2ccc(Cl)c3cccnc23)n1-c1ccccc1 ZINC000008954901 569490064 /nfs/dbraw/zinc/49/00/64/569490064.db2.gz DIENIWCFEMEWMA-UHFFFAOYSA-N -1 0 426.885 4.225 50 0 IIAARM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1Cl ZINC000040146651 569492252 /nfs/dbraw/zinc/49/22/52/569492252.db2.gz VGFSXXNTIXZEGI-UHFFFAOYSA-N -1 0 426.723 4.148 50 0 IIAARM CO[C@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000008993733 569495483 /nfs/dbraw/zinc/49/54/83/569495483.db2.gz ULOQCXMGMFANAC-WIYYLYMNSA-N -1 0 432.398 4.226 50 0 IIAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000040288338 569498451 /nfs/dbraw/zinc/49/84/51/569498451.db2.gz MAYYZCHBPAMBIK-QHCPKHFHSA-N -1 0 440.927 4.460 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000009126395 569504924 /nfs/dbraw/zinc/50/49/24/569504924.db2.gz YCYLUHDXSOWDGH-UHFFFAOYSA-N -1 0 444.940 4.422 50 0 IIAARM O=C(COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1c[nH]c2ccccc12 ZINC000009284632 569519113 /nfs/dbraw/zinc/51/91/13/569519113.db2.gz QIIZNUPQEGGBNG-UHFFFAOYSA-N -1 0 429.354 4.118 50 0 IIAARM CCOc1ccc(NC(=O)CSc2[n-]c3cc(Cl)ccc3c(=O)c2C(=O)OC)cc1 ZINC000009300241 569520644 /nfs/dbraw/zinc/52/06/44/569520644.db2.gz MKHAYHAIBYEZAW-UHFFFAOYSA-N -1 0 446.912 4.098 50 0 IIAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl ZINC000009546415 569546245 /nfs/dbraw/zinc/54/62/45/569546245.db2.gz WVHQABBVGNKMIC-UHFFFAOYSA-N -1 0 440.283 4.115 50 0 IIAARM Cc1cccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3F)c2)c1 ZINC000009548711 569546519 /nfs/dbraw/zinc/54/65/19/569546519.db2.gz BZCVMHXFKYWWNW-UHFFFAOYSA-N -1 0 434.514 4.044 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000009590936 569550094 /nfs/dbraw/zinc/55/00/94/569550094.db2.gz MQWMWOOJFOLONC-UHFFFAOYSA-N -1 0 440.521 4.374 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)on1 ZINC000009637774 569554878 /nfs/dbraw/zinc/55/48/78/569554878.db2.gz WLOFUALUFLWZFQ-UHFFFAOYSA-N -1 0 444.509 4.451 50 0 IIAARM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000009707415 569561530 /nfs/dbraw/zinc/56/15/30/569561530.db2.gz BDWRLXMQUPJFQE-UHFFFAOYSA-N -1 0 425.897 4.148 50 0 IIAARM O=C([O-])c1ccc2[nH]c(CCNC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000521396600 569587199 /nfs/dbraw/zinc/58/71/99/569587199.db2.gz PJYXHCQPJFPTFB-UHFFFAOYSA-N -1 0 427.460 4.342 50 0 IIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438878 132281927 /nfs/dbraw/zinc/28/19/27/132281927.db2.gz UHYVKCFGCZBJQD-FGZHOGPDSA-N -1 0 441.959 4.496 50 0 IIAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000012520889 521775924 /nfs/dbraw/zinc/77/59/24/521775924.db2.gz MVJSEPBNSXKHRV-UHFFFAOYSA-N -1 0 448.722 4.073 50 0 IIAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 ZINC000012508067 523995748 /nfs/dbraw/zinc/99/57/48/523995748.db2.gz ZQEWUHVXAIPWJP-UHFFFAOYSA-N -1 0 440.521 4.319 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SC[C@H]3CCCCO3)nc2c1 ZINC000022132620 524645152 /nfs/dbraw/zinc/64/51/52/524645152.db2.gz FHJDSUZGKLZGPS-CQSZACIVSA-N -1 0 434.539 4.298 50 0 IIAARM Cc1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c(C)c1 ZINC000020744792 524964940 /nfs/dbraw/zinc/96/49/40/524964940.db2.gz VPUGGFRIDGXTEQ-NRFANRHFSA-N -1 0 442.357 4.495 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000012525867 525308402 /nfs/dbraw/zinc/30/84/02/525308402.db2.gz PSTMSMUEHRNQBH-UHFFFAOYSA-N -1 0 442.971 4.312 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Br ZINC000012852401 525462646 /nfs/dbraw/zinc/46/26/46/525462646.db2.gz INYKJPAXSAWJTH-CYBMUJFWSA-N -1 0 446.320 4.186 50 0 IIAARM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000012526055 525606717 /nfs/dbraw/zinc/60/67/17/525606717.db2.gz VFCLOEJSYPQCSE-UHFFFAOYSA-N -1 0 442.971 4.312 50 0 IIAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022609291 525980894 /nfs/dbraw/zinc/98/08/94/525980894.db2.gz BYEJSMRLTRQUJD-LJQANCHMSA-N -1 0 439.972 4.370 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000020215994 527206976 /nfs/dbraw/zinc/20/69/76/527206976.db2.gz OCLDGEDFOAWLNV-IBGZPJMESA-N -1 0 439.972 4.370 50 0 IIAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626891 527207315 /nfs/dbraw/zinc/20/73/15/527207315.db2.gz KDXOGMTVVLRMEZ-IBGZPJMESA-N -1 0 439.972 4.370 50 0 IIAARM O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012627883 527240678 /nfs/dbraw/zinc/24/06/78/527240678.db2.gz QOHUYTQURGDFFE-UHFFFAOYSA-N -1 0 449.457 4.156 50 0 IIAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1ccccc1Br ZINC000012652199 527251646 /nfs/dbraw/zinc/25/16/46/527251646.db2.gz MLFQHAAYMPHLAL-UHFFFAOYSA-N -1 0 438.372 4.460 50 0 IIAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C(F)(F)F)c1)CCC2 ZINC000017094786 527572808 /nfs/dbraw/zinc/57/28/08/527572808.db2.gz DLZNEMYDBPLGGS-UHFFFAOYSA-N -1 0 426.416 4.311 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)no1 ZINC000000651317 555522921 /nfs/dbraw/zinc/52/29/21/555522921.db2.gz SAKMTGFBMBBSBS-UHFFFAOYSA-N -1 0 426.281 4.343 50 0 IIAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000790783 555557120 /nfs/dbraw/zinc/55/71/20/555557120.db2.gz VABLAQXSRAGZNU-HNNXBMFYSA-N -1 0 445.928 4.250 50 0 IIAARM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000000808546 555560261 /nfs/dbraw/zinc/56/02/61/555560261.db2.gz DLINTSMIFADJAP-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)cc2)cc1 ZINC000001044295 555610652 /nfs/dbraw/zinc/61/06/52/555610652.db2.gz WEOHILQJNAZMNX-UHFFFAOYSA-N -1 0 447.520 4.441 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)cc1C ZINC000001056914 555614527 /nfs/dbraw/zinc/61/45/27/555614527.db2.gz IFDVHUMRHDYYFW-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000001060257 555616133 /nfs/dbraw/zinc/61/61/33/555616133.db2.gz LOMKQJHGFDZSCK-UHFFFAOYSA-N -1 0 439.415 4.147 50 0 IIAARM Cc1oc2c(cc3c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002119502 555745287 /nfs/dbraw/zinc/74/52/87/555745287.db2.gz ROXBIQHHZVTUJQ-UHFFFAOYSA-N -1 0 433.460 4.265 50 0 biogenic IIAARM CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002384762 555774682 /nfs/dbraw/zinc/77/46/82/555774682.db2.gz OTKXCALUHMPIGM-FQEVSTJZSA-N -1 0 425.481 4.100 50 0 IIAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006882720 556108598 /nfs/dbraw/zinc/10/85/98/556108598.db2.gz KSYVYHUPZNONJS-FQEVSTJZSA-N -1 0 425.481 4.100 50 0 IIAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000002804469 556143075 /nfs/dbraw/zinc/14/30/75/556143075.db2.gz POVPAIUPZDTDDT-UHFFFAOYSA-N -1 0 443.907 4.211 50 0 IIAARM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008722868 556203737 /nfs/dbraw/zinc/20/37/37/556203737.db2.gz QWHWAWJDUAGCED-GFCCVEGCSA-N -1 0 437.930 4.003 50 0 IIAARM O=C(Nc1cccc(O)c1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013693308 556282853 /nfs/dbraw/zinc/28/28/53/556282853.db2.gz YREYHBILLPPPQX-UHFFFAOYSA-N -1 0 443.481 4.194 50 0 IIAARM O=C(CSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1)Nc1ccccc1 ZINC000013777936 556307802 /nfs/dbraw/zinc/30/78/02/556307802.db2.gz TVPGWLIWRBLCME-UHFFFAOYSA-N -1 0 443.528 4.387 50 0 IIAARM CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)[O-])N(c2ccc(C)cc2)C1=S ZINC000013915157 556332152 /nfs/dbraw/zinc/33/21/52/556332152.db2.gz JAKREHGPYLVSIK-GZTJUZNOSA-N -1 0 430.913 4.106 50 0 IIAARM CCn1c2ccccc2nc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030569825 556497952 /nfs/dbraw/zinc/49/79/52/556497952.db2.gz ZZZLDYWHUTUMNC-UHFFFAOYSA-N -1 0 440.550 4.100 50 0 IIAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013251645 556500736 /nfs/dbraw/zinc/50/07/36/556500736.db2.gz WHKIPVBMANQMJA-UHFFFAOYSA-N -1 0 440.496 4.320 50 0 IIAARM COc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000016179207 556587259 /nfs/dbraw/zinc/58/72/59/556587259.db2.gz VEQXRNBPKDBWRB-UHFFFAOYSA-N -1 0 432.473 4.406 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017094950 556658135 /nfs/dbraw/zinc/65/81/35/556658135.db2.gz KFTQTTPLRJRESH-MSOLQXFVSA-N -1 0 426.538 4.154 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017095870 556659264 /nfs/dbraw/zinc/65/92/64/556659264.db2.gz VVSPUVVMCNTNNZ-LSDHHAIUSA-N -1 0 428.510 4.231 50 0 IIAARM COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000017097004 556661015 /nfs/dbraw/zinc/66/10/15/556661015.db2.gz PBHLBFFYYLKFKL-CYBMUJFWSA-N -1 0 430.526 4.327 50 0 IIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000011865581 556665251 /nfs/dbraw/zinc/66/52/51/556665251.db2.gz TYUNJMKJUOKPLE-LJQANCHMSA-N -1 0 427.497 4.221 50 0 IIAARM Cc1oc2cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866040 556665741 /nfs/dbraw/zinc/66/57/41/556665741.db2.gz SIPGFAILHHUWFU-OAQYLSRUSA-N -1 0 443.883 4.026 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C ZINC000046009503 556690990 /nfs/dbraw/zinc/69/09/90/556690990.db2.gz SGRKPPRAYHLRKC-UHFFFAOYSA-N -1 0 437.521 4.087 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000019631801 556832728 /nfs/dbraw/zinc/83/27/28/556832728.db2.gz FPZFWZSFRGEOFJ-KBPBESRZSA-N -1 0 440.521 4.103 50 0 IIAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078629 556853644 /nfs/dbraw/zinc/85/36/44/556853644.db2.gz WIKNORIOPFLZJX-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1 ZINC000033171045 556882143 /nfs/dbraw/zinc/88/21/43/556882143.db2.gz PDYLOPMQCIBZOY-WQLSENKSSA-N -1 0 441.509 4.230 50 0 IIAARM Cn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000010675143 556995180 /nfs/dbraw/zinc/99/51/80/556995180.db2.gz AXKZRWGBCUBVQI-UHFFFAOYSA-N -1 0 442.884 4.311 50 0 IIAARM Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000020294311 557006300 /nfs/dbraw/zinc/00/63/00/557006300.db2.gz WVYQKGDYTIOOFM-UHFFFAOYSA-N -1 0 449.376 4.184 50 0 IIAARM CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])C1 ZINC000046053338 557026406 /nfs/dbraw/zinc/02/64/06/557026406.db2.gz VEYWVCMDOOAVTH-OAHLLOKOSA-N -1 0 430.888 4.070 50 0 IIAARM Cc1nc2sc([C@H](c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023158256 557032738 /nfs/dbraw/zinc/03/27/38/557032738.db2.gz VNAVKZPCFIEARQ-KRWDZBQOSA-N -1 0 446.001 4.431 50 0 IIAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(OC)nn2)c1 ZINC000017315631 557056620 /nfs/dbraw/zinc/05/66/20/557056620.db2.gz URQTUNJTZZMJGN-UHFFFAOYSA-N -1 0 427.526 4.475 50 0 IIAARM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033299014 557075076 /nfs/dbraw/zinc/07/50/76/557075076.db2.gz FHQMCFFUJFTLHD-UHFFFAOYSA-N -1 0 448.950 4.073 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(-c3ccccc3)nn2)c1C ZINC000033308012 557087047 /nfs/dbraw/zinc/08/70/47/557087047.db2.gz RYGLFBNUPZUIAK-UHFFFAOYSA-N -1 0 449.536 4.146 50 0 IIAARM O=S(=O)([N-]c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3)c1ccc(F)cc1 ZINC000023408415 557091030 /nfs/dbraw/zinc/09/10/30/557091030.db2.gz PTYGGFOYAJGTNG-UHFFFAOYSA-N -1 0 446.573 4.106 50 0 IIAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009306093 557186423 /nfs/dbraw/zinc/18/64/23/557186423.db2.gz SMHYWHWJYPWLAN-UHFFFAOYSA-N -1 0 442.884 4.311 50 0 IIAARM COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018066496 557234646 /nfs/dbraw/zinc/23/46/46/557234646.db2.gz BFNZJMMKTNKZMB-SMIHKQSGSA-N -1 0 444.487 4.063 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccs1 ZINC000000812377 557256650 /nfs/dbraw/zinc/25/66/50/557256650.db2.gz JWRBUGYVHJHSLN-UHFFFAOYSA-N -1 0 428.944 4.003 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccc(F)cc2F)C1 ZINC000101340450 557278917 /nfs/dbraw/zinc/27/89/17/557278917.db2.gz IWGHCUMVCACZTA-QGZVFWFLSA-N -1 0 430.798 4.050 50 0 IIAARM CCn1c(=O)c(-c2nc(-c3ccc(Br)cc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724720 557295069 /nfs/dbraw/zinc/29/50/69/557295069.db2.gz RAUBHMNXWWFGBQ-UHFFFAOYSA-N -1 0 430.233 4.346 50 0 IIAARM COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000014129053 557308181 /nfs/dbraw/zinc/30/81/81/557308181.db2.gz ITCKPNNOOYJRFK-UHFFFAOYSA-N -1 0 425.504 4.491 50 0 IIAARM COc1ccc(OC)c(C2c3c(oc4ccc(C)cc4c3=O)C([O-])=C2c2nncs2)c1 ZINC000102485002 557331129 /nfs/dbraw/zinc/33/11/29/557331129.db2.gz HXVRPCULRVNSNC-HKUYNNGSSA-N -1 0 434.473 4.082 50 0 IIAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000102710716 557364676 /nfs/dbraw/zinc/36/46/76/557364676.db2.gz OXYHMUFBTGERQS-KMDXXIMOSA-N -1 0 444.487 4.232 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)cc1 ZINC000102820815 557393830 /nfs/dbraw/zinc/39/38/30/557393830.db2.gz HLFWHFZYCGBFKI-MZEUMTGBSA-N -1 0 430.464 4.183 50 0 IIAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)c(Cl)c3)cnn21 ZINC000102901422 557411428 /nfs/dbraw/zinc/41/14/28/557411428.db2.gz VTSPCZVIXUBOIK-SFHVURJKSA-N -1 0 438.871 4.089 50 0 IIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c(OC)c1 ZINC000002435229 562927685 /nfs/dbraw/zinc/92/76/85/562927685.db2.gz KVXSDRBIPHXGIE-UHFFFAOYSA-N -1 0 442.522 4.253 50 0 IIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1 ZINC000006023514 562945950 /nfs/dbraw/zinc/94/59/50/562945950.db2.gz ZUEYTAMDDUFKEF-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1 ZINC000008608308 562957495 /nfs/dbraw/zinc/95/74/95/562957495.db2.gz AENLPSVWSOGEAG-UHFFFAOYSA-N -1 0 432.498 4.257 50 0 IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840975 562965145 /nfs/dbraw/zinc/96/51/45/562965145.db2.gz DWPDGICSJSPMQG-UHFFFAOYSA-N -1 0 436.961 4.475 50 0 IIAARM CCCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000009689047 562975604 /nfs/dbraw/zinc/97/56/04/562975604.db2.gz BMQQUBXVBFRPNZ-UHFFFAOYSA-N -1 0 448.369 4.111 50 0 IIAARM CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2C)c(=O)[n-]1 ZINC000013144754 562985283 /nfs/dbraw/zinc/98/52/83/562985283.db2.gz CIYDPHZHTHVDLO-UHFFFAOYSA-N -1 0 434.612 4.082 50 0 IIAARM Cc1cc(SC[C@H](NC(=O)c2ccccc2)C(=O)[O-])c2cc(Br)ccc2n1 ZINC000012526594 568742573 /nfs/dbraw/zinc/74/25/73/568742573.db2.gz SSTQVBOBNHJGNN-KRWDZBQOSA-N -1 0 445.338 4.281 50 0 IIAARM COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000003407659 568748521 /nfs/dbraw/zinc/74/85/21/568748521.db2.gz SDQZXEVTUMYBOV-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)CCCC(=O)[O-] ZINC000003864987 568754858 /nfs/dbraw/zinc/75/48/58/568754858.db2.gz YTKTWBGGZVWGKV-SFHVURJKSA-N -1 0 445.313 4.390 50 0 IIAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000004063134 568760112 /nfs/dbraw/zinc/76/01/12/568760112.db2.gz KLRNMIUKAXHHFS-WGROGOECSA-N -1 0 432.557 4.192 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1C ZINC000015745040 568819690 /nfs/dbraw/zinc/81/96/90/568819690.db2.gz BHMHQYBFQNPJRR-SFHVURJKSA-N -1 0 438.549 4.338 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1OC)CC2 ZINC000015781835 568826190 /nfs/dbraw/zinc/82/61/90/568826190.db2.gz NSMUAWWVAQRVDQ-SFHVURJKSA-N -1 0 428.485 4.099 50 0 IIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000016130952 568871430 /nfs/dbraw/zinc/87/14/30/568871430.db2.gz AIOSGYQIUULUAE-UHFFFAOYSA-N -1 0 425.348 4.249 50 0 IIAARM COc1ccccc1-c1nnc(SCc2cc(=O)oc3cc([O-])c(Cl)cc23)n1C ZINC000012950851 568872219 /nfs/dbraw/zinc/87/22/19/568872219.db2.gz WWQLWPHMTCJJID-UHFFFAOYSA-N -1 0 429.885 4.248 50 0 IIAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)s2)sc2c1CCCC2 ZINC000006578904 568904659 /nfs/dbraw/zinc/90/46/59/568904659.db2.gz PZNBUJFZMNADHE-UHFFFAOYSA-N -1 0 436.374 4.038 50 0 IIAARM C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000245310757 568914616 /nfs/dbraw/zinc/91/46/16/568914616.db2.gz KLRNMIUKAXHHFS-QGTRBNODSA-N -1 0 432.557 4.192 50 0 IIAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C[C@@H](C)O1 ZINC000016689790 568938225 /nfs/dbraw/zinc/93/82/25/568938225.db2.gz VBUOBYPBOLJFIT-PBFPGSCMSA-N -1 0 428.489 4.094 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c2oc1=O ZINC000006635197 568941976 /nfs/dbraw/zinc/94/19/76/568941976.db2.gz LTJVSVOSLYDRMO-OAQYLSRUSA-N -1 0 431.529 4.137 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2C)c1C ZINC000064820505 568967279 /nfs/dbraw/zinc/96/72/79/568967279.db2.gz BUWHKJHQQPFMLX-UHFFFAOYSA-N -1 0 434.540 4.458 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1Cl ZINC000064979410 569077878 /nfs/dbraw/zinc/07/78/78/569077878.db2.gz AUFIQBNQSBADSJ-UHFFFAOYSA-N -1 0 438.889 4.130 50 0 IIAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@]21C(=O)Nc2cc(F)ccc21 ZINC000036354840 569084216 /nfs/dbraw/zinc/08/42/16/569084216.db2.gz CGGRJBLPVSRCMK-OAQYLSRUSA-N -1 0 442.855 4.486 50 0 IIAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)c1 ZINC000065098025 569104564 /nfs/dbraw/zinc/10/45/64/569104564.db2.gz RMFJLVMFMDYNNM-UHFFFAOYSA-N -1 0 431.470 4.414 50 0 IIAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1C ZINC000065194616 569114695 /nfs/dbraw/zinc/11/46/95/569114695.db2.gz PSCJDSRAGVHVGC-UHFFFAOYSA-N -1 0 428.514 4.056 50 0 IIAARM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2C1=O ZINC000065241598 569118895 /nfs/dbraw/zinc/11/88/95/569118895.db2.gz IGRZFALEQAFXJQ-UHFFFAOYSA-N -1 0 439.493 4.054 50 0 IIAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000170615617 569146514 /nfs/dbraw/zinc/14/65/14/569146514.db2.gz NHIVESFGPUFBRB-HXUWFJFHSA-N -1 0 430.888 4.290 50 0 IIAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000013579062 569156028 /nfs/dbraw/zinc/15/60/28/569156028.db2.gz ZHOKODGXQFCESQ-UHFFFAOYSA-N -1 0 446.459 4.012 50 0 IIAARM CCOc1ccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000016848485 569164155 /nfs/dbraw/zinc/16/41/55/569164155.db2.gz XWDQOSBKVBCDKV-UHFFFAOYSA-N -1 0 449.529 4.053 50 0 IIAARM CCCc1ccc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000089960464 569168968 /nfs/dbraw/zinc/16/89/68/569168968.db2.gz HXPYATNKZYVCTA-WBMJQRKESA-N -1 0 443.447 4.111 50 0 IIAARM COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1 ZINC000095748982 569178014 /nfs/dbraw/zinc/17/80/14/569178014.db2.gz PWCHHMUOQNPWJD-HSZRJFAPSA-N -1 0 433.460 4.368 50 0 IIAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c21 ZINC000002112794 569182185 /nfs/dbraw/zinc/18/21/85/569182185.db2.gz KKFBJQHCTZFQTR-UHFFFAOYSA-N -1 0 439.508 4.323 50 0 biogenic IIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000066087895 569205725 /nfs/dbraw/zinc/20/57/25/569205725.db2.gz JUDLHKIGAXIEKL-AWEZNQCLSA-N -1 0 444.365 4.397 50 0 IIAARM O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2 ZINC000002245031 569213837 /nfs/dbraw/zinc/21/38/37/569213837.db2.gz UIIOLYLFFBIKMD-GOSISDBHSA-N -1 0 437.887 4.181 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)c(Br)c1 ZINC000253424810 569267056 /nfs/dbraw/zinc/26/70/56/569267056.db2.gz IGQMJYDFHKTISA-UHFFFAOYSA-N -1 0 446.326 4.206 50 0 IIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(F)cc4F)c(Cl)c1=O)(C3)C2 ZINC000002434428 569303717 /nfs/dbraw/zinc/30/37/17/569303717.db2.gz CIQOOSHGNFSUEA-RXLCVDQRSA-N -1 0 435.858 4.299 50 0 IIAARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000012658438 569304698 /nfs/dbraw/zinc/30/46/98/569304698.db2.gz VMHHHNZLSMMOOZ-RTWXVCJNSA-N -1 0 430.541 4.112 50 0 biogenic IIAARM O=C([O-])c1cnn(-c2cccc(NC(=O)c3ccc4ncccc4c3)c2)c1C(F)(F)F ZINC000095463921 569370395 /nfs/dbraw/zinc/37/03/95/569370395.db2.gz FXPXENOXWFITFY-UHFFFAOYSA-N -1 0 426.354 4.390 50 0 IIAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1)c1cccs1 ZINC000096024598 569380671 /nfs/dbraw/zinc/38/06/71/569380671.db2.gz VUCMSRUGTKRNFP-INIZCTEOSA-N -1 0 442.562 4.256 50 0 IIAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000096116419 569383876 /nfs/dbraw/zinc/38/38/76/569383876.db2.gz ICGRKTAZBJIYPV-INIZCTEOSA-N -1 0 428.396 4.305 50 0 biogenic IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc1Cl ZINC000096323453 569395390 /nfs/dbraw/zinc/39/53/90/569395390.db2.gz MWFCJKXCUZHNAS-UHFFFAOYSA-N -1 0 428.919 4.491 50 0 IIAARM Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Br ZINC000002730954 569419295 /nfs/dbraw/zinc/41/92/95/569419295.db2.gz DZOWUTZCVLEEGX-CYBMUJFWSA-N -1 0 444.362 4.403 50 0 IIAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000217667920 569451245 /nfs/dbraw/zinc/45/12/45/569451245.db2.gz BTCYUKDBIVDGSX-SFHVURJKSA-N -1 0 428.396 4.305 50 0 biogenic IIAARM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc(O)cc2)CC(=O)O4)cc1O ZINC000217671781 569451499 /nfs/dbraw/zinc/45/14/99/569451499.db2.gz DZZMCXMLGHKYLT-HNNXBMFYSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccc(F)c2)CC(=O)O4)cc1O ZINC000217724740 569452278 /nfs/dbraw/zinc/45/22/78/569452278.db2.gz AQKLQKZAWSXBGH-HNNXBMFYSA-N -1 0 448.402 4.460 50 0 biogenic IIAARM Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000032090070 569459519 /nfs/dbraw/zinc/45/95/19/569459519.db2.gz BLDVOIFTTZYECG-OAQYLSRUSA-N -1 0 435.915 4.021 50 0 IIAARM C[C@@]12C[C@@](O)(C(=O)CSCCC(=O)[O-])C[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000008740127 569472816 /nfs/dbraw/zinc/47/28/16/569472816.db2.gz WDCBJRUXJJRFIT-XUBPBXIRSA-N -1 0 434.598 4.026 50 0 biogenic IIAARM CC(=O)c1c(C)n(S(=O)(=O)c2c(C)c(C)cc(C)c2C)c2ccc(O)c(C(=O)[O-])c12 ZINC000008870382 569480645 /nfs/dbraw/zinc/48/06/45/569480645.db2.gz VKLVUQXCKNOYPZ-UHFFFAOYSA-N -1 0 429.494 4.027 50 0 IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000040115208 569489267 /nfs/dbraw/zinc/48/92/67/569489267.db2.gz PZUYYLMIEKZIKW-INIZCTEOSA-N -1 0 448.850 4.277 50 0 IIAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 ZINC000008961078 569490917 /nfs/dbraw/zinc/49/09/17/569490917.db2.gz TZSSMTVDEPSPNN-UHFFFAOYSA-N -1 0 438.505 4.441 50 0 IIAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008974241 569492838 /nfs/dbraw/zinc/49/28/38/569492838.db2.gz CAQNQCRVOOFREX-KRWDZBQOSA-N -1 0 443.834 4.223 50 0 IIAARM CCCCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000009097048 569501534 /nfs/dbraw/zinc/50/15/34/569501534.db2.gz AWLSNGGLXPCOAW-UHFFFAOYSA-N -1 0 427.979 4.236 50 0 IIAARM CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450470 569506362 /nfs/dbraw/zinc/50/63/62/569506362.db2.gz OETAQUBIGPHMGF-UHFFFAOYSA-N -1 0 449.370 4.111 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172604 569509585 /nfs/dbraw/zinc/50/95/85/569509585.db2.gz DUPDIBYKMZSBSS-UHFFFAOYSA-N -1 0 446.569 4.212 50 0 IIAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009356079 569525460 /nfs/dbraw/zinc/52/54/60/569525460.db2.gz ZENQXWSDNSSNOI-UHFFFAOYSA-N -1 0 436.320 4.119 50 0 IIAARM CCN(CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009425308 569533213 /nfs/dbraw/zinc/53/32/13/569533213.db2.gz LWZUAMNTCOBACY-XMHGGMMESA-N -1 0 426.904 4.155 50 0 IIAARM O=C(NCCCn1ccc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009468050 569538522 /nfs/dbraw/zinc/53/85/22/569538522.db2.gz WJDXYQBVXIGTOC-UHFFFAOYSA-N -1 0 439.562 4.324 50 0 IIAARM CN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000009511956 569542860 /nfs/dbraw/zinc/54/28/60/569542860.db2.gz LTXMXHRIEKRCFH-UHFFFAOYSA-N -1 0 442.971 4.027 50 0 IIAARM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000009572543 569547810 /nfs/dbraw/zinc/54/78/10/569547810.db2.gz LOZUMPXDAIRHBE-UHFFFAOYSA-N -1 0 429.521 4.315 50 0 IIAARM O=C(NCc1ccco1)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1 ZINC000010274400 569580355 /nfs/dbraw/zinc/58/03/55/569580355.db2.gz WLYFLFOPSQKADK-UHFFFAOYSA-N -1 0 425.897 4.284 50 0 IIAARM CS(=O)(=O)[N-]c1nc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2s1 ZINC000021357520 569584894 /nfs/dbraw/zinc/58/48/94/569584894.db2.gz IBLBUAPTNNUOSD-UHFFFAOYSA-N -1 0 430.433 4.331 50 0 IIAARM CC(C)=CCOC(=O)CC=C(C(=O)[O-])c1csc(=NC(=O)OCc2ccccc2)[nH]1 ZINC000021297472 519439425 /nfs/dbraw/zinc/43/94/25/519439425.db2.gz QSJNRPJXKFDFPH-LZYBPNLTSA-N -1 0 430.482 4.259 50 0 IIAARM CCN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022798414 521692348 /nfs/dbraw/zinc/69/23/48/521692348.db2.gz BAXTXDZRTFRHQJ-QGZVFWFLSA-N -1 0 443.960 4.137 50 0 IIAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854550 522536783 /nfs/dbraw/zinc/53/67/83/522536783.db2.gz WCZUBZNVSKXBAF-NRFANRHFSA-N -1 0 433.581 4.279 50 0 IIAARM COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] ZINC000015016249 524130952 /nfs/dbraw/zinc/13/09/52/524130952.db2.gz RHLOLFNATCNKJE-HXOBKFHXSA-N -1 0 436.489 4.462 50 0 IIAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c1 ZINC000033078660 524217993 /nfs/dbraw/zinc/21/79/93/524217993.db2.gz URVKRNSRKFMASY-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1 ZINC000021931963 524653057 /nfs/dbraw/zinc/65/30/57/524653057.db2.gz XWVISROBNJDHLP-UHFFFAOYSA-N -1 0 425.510 4.069 50 0 IIAARM Cc1ccccc1C1=CCN(c2ncc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000035397789 525086993 /nfs/dbraw/zinc/08/69/93/525086993.db2.gz INUUAJIWPWMOSY-UHFFFAOYSA-N -1 0 449.532 4.183 50 0 IIAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cn(C)c(C)n4)cc3Cl)sc2c1 ZINC000033289269 525656788 /nfs/dbraw/zinc/65/67/88/525656788.db2.gz WPKIHVLJINGQJP-UHFFFAOYSA-N -1 0 448.957 4.468 50 0 IIAARM C[C@H](C(=O)N(C)Cc1ccccc1N1CCCCC1)n1c(=O)c2ccccc2[n-]c1=S ZINC000012762381 525940660 /nfs/dbraw/zinc/94/06/60/525940660.db2.gz VLAVQUOIEQAPTM-QGZVFWFLSA-N -1 0 436.581 4.269 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)ccc1Cl ZINC000012652106 526355497 /nfs/dbraw/zinc/35/54/97/526355497.db2.gz SYQKWRJLTCSZHA-UHFFFAOYSA-N -1 0 437.930 4.049 50 0 IIAARM Cn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc2oc1=O ZINC000012780933 527105645 /nfs/dbraw/zinc/10/56/45/527105645.db2.gz HZMCYTUXMLBLGQ-UHFFFAOYSA-N -1 0 430.869 4.378 50 0 IIAARM O=C([O-])C1CCC(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000020722367 527560460 /nfs/dbraw/zinc/56/04/60/527560460.db2.gz NTRQWIOUEBWPRE-UHFFFAOYSA-N -1 0 437.359 4.122 50 0 IIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000012552575 527602191 /nfs/dbraw/zinc/60/21/91/527602191.db2.gz RGAJHDLJUAEWDG-UHFFFAOYSA-N -1 0 442.459 4.124 50 0 IIAARM O=C([O-])C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 ZINC000001033259 527632705 /nfs/dbraw/zinc/63/27/05/527632705.db2.gz KOTAHNXLRXGYMT-INIZCTEOSA-N -1 0 436.430 4.129 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)c1C ZINC000000633172 555515787 /nfs/dbraw/zinc/51/57/87/555515787.db2.gz LMSAMDYKTGGOBM-UHFFFAOYSA-N -1 0 443.525 4.233 50 0 IIAARM CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000000692728 555542339 /nfs/dbraw/zinc/54/23/39/555542339.db2.gz MZEKVBFRSMJPRQ-UHFFFAOYSA-N -1 0 432.432 4.123 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)cc1 ZINC000001056831 555614589 /nfs/dbraw/zinc/61/45/89/555614589.db2.gz FETGPVCOKCJWGB-UHFFFAOYSA-N -1 0 434.477 4.211 50 0 IIAARM O=C([O-])c1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl ZINC000001159395 555660869 /nfs/dbraw/zinc/66/08/69/555660869.db2.gz MEYMHADGYWXDKQ-UHFFFAOYSA-N -1 0 433.700 4.237 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1 ZINC000001161312 555662129 /nfs/dbraw/zinc/66/21/29/555662129.db2.gz XLPXEBVCGPIOFN-OVCLIPMQSA-N -1 0 438.505 4.157 50 0 IIAARM O=c1[n-]c(=O)c(SCCOc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n[nH]1 ZINC000001748576 555712169 /nfs/dbraw/zinc/71/21/69/555712169.db2.gz MOAJAEWNNQVGMT-UHFFFAOYSA-N -1 0 437.519 4.309 50 0 IIAARM Cc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001772541 555713750 /nfs/dbraw/zinc/71/37/50/555713750.db2.gz FBSISLIHMBUZMW-UHFFFAOYSA-N -1 0 431.539 4.050 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCc2ccccc2)cc1 ZINC000002412648 555777144 /nfs/dbraw/zinc/77/71/44/555777144.db2.gz DWPQRSYCGZPZJO-UHFFFAOYSA-N -1 0 434.521 4.094 50 0 IIAARM COC(=O)C(C)(C)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000002438152 555779079 /nfs/dbraw/zinc/77/90/79/555779079.db2.gz KIDRWENGXWBOFA-SJORKVTESA-N -1 0 431.282 4.150 50 0 IIAARM CC(C)(C)OC(=O)CCN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002547868 555787034 /nfs/dbraw/zinc/78/70/34/555787034.db2.gz GSLFOWYOHAYGNA-UHFFFAOYSA-N -1 0 425.481 4.054 50 0 IIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560727 555787570 /nfs/dbraw/zinc/78/75/70/555787570.db2.gz FVUASVBQADLDRO-NRFANRHFSA-N -1 0 439.508 4.442 50 0 IIAARM CCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000002905408 555861365 /nfs/dbraw/zinc/86/13/65/555861365.db2.gz ZPIOCPOQJINRTL-AWEZNQCLSA-N -1 0 440.780 4.064 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864271 555949583 /nfs/dbraw/zinc/94/95/83/555949583.db2.gz RFCNSIJLGGXDMA-CVEARBPZSA-N -1 0 431.510 4.430 50 0 IIAARM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000006229148 556081223 /nfs/dbraw/zinc/08/12/23/556081223.db2.gz DQUPTQLNLVRLDL-CQSZACIVSA-N -1 0 433.580 4.372 50 0 IIAARM CCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c1 ZINC000002709400 556124707 /nfs/dbraw/zinc/12/47/07/556124707.db2.gz SXOFFVGFVUJNEZ-UHFFFAOYSA-N -1 0 440.525 4.017 50 0 IIAARM Cn1c(SCC(=O)[O-])nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008436909 556173675 /nfs/dbraw/zinc/17/36/75/556173675.db2.gz OFMRJFFYTUTRSE-UHFFFAOYSA-N -1 0 437.308 4.218 50 0 IIAARM CCOC(=O)NC([N-]c1sc2c(c1C(=O)OC)CCC2)(C(F)(F)F)C(F)(F)F ZINC000008445248 556179251 /nfs/dbraw/zinc/17/92/51/556179251.db2.gz AWFAAZOCUKTNJW-UHFFFAOYSA-N -1 0 434.358 4.002 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)no1 ZINC000008723369 556204060 /nfs/dbraw/zinc/20/40/60/556204060.db2.gz RJWNOOKBHZSFDQ-MRXNPFEDSA-N -1 0 443.525 4.313 50 0 IIAARM COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000009260934 556268663 /nfs/dbraw/zinc/26/86/63/556268663.db2.gz DXDMCQQNGMFINY-YBFXNURJSA-N -1 0 427.478 4.417 50 0 IIAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1=O ZINC000013765924 556302816 /nfs/dbraw/zinc/30/28/16/556302816.db2.gz JDIKSDGBLWYJLN-UHFFFAOYSA-N -1 0 429.929 4.193 50 0 IIAARM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000032690648 556440023 /nfs/dbraw/zinc/44/00/23/556440023.db2.gz ZTLSVJRRFYARLM-UHFFFAOYSA-N -1 0 429.523 4.068 50 0 IIAARM O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000013122119 556474465 /nfs/dbraw/zinc/47/44/65/556474465.db2.gz DVDXQANSIBXTGV-STZFKDTASA-N -1 0 428.444 4.057 50 0 IIAARM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000032904827 556544651 /nfs/dbraw/zinc/54/46/51/556544651.db2.gz HNSOQMXBVVSEES-UHFFFAOYSA-N -1 0 431.377 4.230 50 0 IIAARM CCc1c([O-])nc(SCC(=O)Nc2cccc(Cl)c2C)n(-c2ccccc2)c1=O ZINC000015836711 556555585 /nfs/dbraw/zinc/55/55/85/556555585.db2.gz SYUVCBTXMQOSEI-UHFFFAOYSA-N -1 0 429.929 4.193 50 0 IIAARM COC(=O)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000016310648 556599686 /nfs/dbraw/zinc/59/96/86/556599686.db2.gz YLDIAAGWXWOPDI-UHFFFAOYSA-N -1 0 438.505 4.143 50 0 IIAARM CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000016956038 556650312 /nfs/dbraw/zinc/65/03/12/556650312.db2.gz HZRVTHFQFDLIRI-UHFFFAOYSA-N -1 0 447.520 4.441 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017094951 556658125 /nfs/dbraw/zinc/65/81/25/556658125.db2.gz KFTQTTPLRJRESH-ROUUACIJSA-N -1 0 426.538 4.154 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017096053 556659791 /nfs/dbraw/zinc/65/97/91/556659791.db2.gz GEIYOMMLXANXFA-QZTJIDSGSA-N -1 0 428.554 4.378 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017098109 556662772 /nfs/dbraw/zinc/66/27/72/556662772.db2.gz FPNWZPLAVVKTCI-GNNGFNCTSA-N -1 0 432.586 4.367 50 0 IIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)oc12 ZINC000011865562 556665241 /nfs/dbraw/zinc/66/52/41/556665241.db2.gz GCOXJCQFDNVWEU-LJQANCHMSA-N -1 0 439.508 4.462 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)cc1 ZINC000017102478 556666718 /nfs/dbraw/zinc/66/67/18/556666718.db2.gz IFHAEFQOWYCNBZ-SJORKVTESA-N -1 0 438.549 4.081 50 0 IIAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017103065 556667249 /nfs/dbraw/zinc/66/72/49/556667249.db2.gz NXZGRUAULRAGJW-RYUDHWBXSA-N -1 0 439.320 4.426 50 0 IIAARM COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000033130301 556870200 /nfs/dbraw/zinc/87/02/00/556870200.db2.gz VQMBILXFKXAZHN-UHFFFAOYSA-N -1 0 442.512 4.060 50 0 IIAARM COc1ccc(S(=O)(=O)Nc2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000033253578 556893978 /nfs/dbraw/zinc/89/39/78/556893978.db2.gz ZUDBAPMCTNPHED-UHFFFAOYSA-N -1 0 434.558 4.313 50 0 IIAARM CCOc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CC)ccc3n2)CC1 ZINC000033260739 556897388 /nfs/dbraw/zinc/89/73/88/556897388.db2.gz MWKPWUSFJWOODU-UHFFFAOYSA-N -1 0 448.523 4.007 50 0 IIAARM O=C1OC(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)=N/C1=C/c1ccco1 ZINC000096892175 556988222 /nfs/dbraw/zinc/98/82/22/556988222.db2.gz TWUFLXHTZPTQJJ-GZTJUZNOSA-N -1 0 446.843 4.217 50 0 IIAARM O=C(c1ccc2[nH]ccc2c1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000097151843 556992993 /nfs/dbraw/zinc/99/29/93/556992993.db2.gz SACOMAFBPJAAIG-UHFFFAOYSA-N -1 0 443.894 4.023 50 0 IIAARM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4F)cc3)nn2)CC1 ZINC000017246091 557044680 /nfs/dbraw/zinc/04/46/80/557044680.db2.gz GBELOEONMQUBAM-UHFFFAOYSA-N -1 0 444.507 4.459 50 0 IIAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccccc3)s2)c1NC(=O)C1CC1 ZINC000033306673 557085777 /nfs/dbraw/zinc/08/57/77/557085777.db2.gz DWRDSHSXBCZYOW-PKNBQFBNSA-N -1 0 429.523 4.364 50 0 IIAARM COc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)sc3Cl)c(=O)[n-]2)cc1 ZINC000024747895 557161610 /nfs/dbraw/zinc/16/16/10/557161610.db2.gz BRIVKOHIYNOMSO-UHFFFAOYSA-N -1 0 443.337 4.352 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101022302 557214461 /nfs/dbraw/zinc/21/44/61/557214461.db2.gz JNFUMZBPUHXYAB-OAQYLSRUSA-N -1 0 447.495 4.274 50 0 IIAARM CCCC[S@@](=N)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000100982138 557280534 /nfs/dbraw/zinc/28/05/34/557280534.db2.gz CXROORFJJGVDFQ-ROTAYESASA-N -1 0 444.553 4.215 50 0 IIAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101494951 557288556 /nfs/dbraw/zinc/28/85/56/557288556.db2.gz HJBFIEIRAGTWHM-KRWDZBQOSA-N -1 0 439.518 4.235 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)nn(Cc3ccccc3Cl)c2C)c1 ZINC000014223377 557319529 /nfs/dbraw/zinc/31/95/29/557319529.db2.gz UYGBLVOFTBMRJJ-UHFFFAOYSA-N -1 0 435.933 4.020 50 0 IIAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479225 557329997 /nfs/dbraw/zinc/32/99/97/557329997.db2.gz OLSGGIOAFNVJOI-SFTDATJTSA-N -1 0 429.480 4.267 50 0 IIAARM COc1cc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc(OC)c1OC ZINC000102748433 557378899 /nfs/dbraw/zinc/37/88/99/557378899.db2.gz RMCXQTFJWULODM-NSPYISDASA-N -1 0 438.440 4.317 50 0 IIAARM O=C1N[C@H](c2cccc(Cl)c2Cl)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213490 557523207 /nfs/dbraw/zinc/52/32/07/557523207.db2.gz SITGMKXFRSMUBK-IXPVHAAZSA-N -1 0 439.242 4.159 50 0 IIAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450423 557733994 /nfs/dbraw/zinc/73/39/94/557733994.db2.gz HWTQZNDOQJETTD-UHFFFAOYSA-N -1 0 449.370 4.111 50 0 IIAARM COc1ccc(OC)c(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000225849737 557785079 /nfs/dbraw/zinc/78/50/79/557785079.db2.gz XHSWOYHXXZTXJJ-IBGZPJMESA-N -1 0 430.888 4.290 50 0 IIAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000237957738 557840658 /nfs/dbraw/zinc/84/06/58/557840658.db2.gz JWYYVRUALJDXDG-LBPRGKRZSA-N -1 0 425.348 4.095 50 0 IIAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000001211355 562920862 /nfs/dbraw/zinc/92/08/62/562920862.db2.gz VIPXLWNGZDNITH-HSZRJFAPSA-N -1 0 441.487 4.154 50 0 biogenic,in-vitro IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000008605036 562956563 /nfs/dbraw/zinc/95/65/63/562956563.db2.gz ATYMRZMHVDMGEQ-UHFFFAOYSA-N -1 0 447.534 4.410 50 0 IIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(NC(=O)Cc3ccccc3)c1)C2=O ZINC000022229131 563025454 /nfs/dbraw/zinc/02/54/54/563025454.db2.gz MOXFMMNQHZOPJE-UHFFFAOYSA-N -1 0 434.835 4.020 50 0 IIAARM Cc1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000043939682 568743731 /nfs/dbraw/zinc/74/37/31/568743731.db2.gz AMNLUVCBPHMTGX-UHFFFAOYSA-N -1 0 441.494 4.078 50 0 IIAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004027462 568758674 /nfs/dbraw/zinc/75/86/74/568758674.db2.gz VMHHHNZLSMMOOZ-LLJLDELUSA-N -1 0 430.541 4.112 50 0 biogenic IIAARM CC(NCc1ccc(C(F)(F)F)cc1)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000001407328 568787176 /nfs/dbraw/zinc/78/71/76/568787176.db2.gz AKEMQXSJYSTFFS-LFIBNONCSA-N -1 0 437.805 4.005 50 0 IIAARM CC[C@@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1O)c1ccccc1 ZINC000012780424 568800630 /nfs/dbraw/zinc/80/06/30/568800630.db2.gz BYKVXTVFTKWGQI-GOSISDBHSA-N -1 0 440.521 4.334 50 0 IIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)sc2c1 ZINC000015730293 568813871 /nfs/dbraw/zinc/81/38/71/568813871.db2.gz ONEFEHGVSHSWSG-NSHDSACASA-N -1 0 449.579 4.319 50 0 IIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664701 568833741 /nfs/dbraw/zinc/83/37/41/568833741.db2.gz UWDSEHQPTSBUEY-UHFFFAOYSA-N -1 0 445.444 4.135 50 0 IIAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)N1CCCCCC1 ZINC000015858781 568846956 /nfs/dbraw/zinc/84/69/56/568846956.db2.gz WZBHFYNJKGIPHT-UHFFFAOYSA-N -1 0 428.533 4.484 50 0 IIAARM O=C(Nc1nc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2s1)c1ccccc1 ZINC000015870196 568851775 /nfs/dbraw/zinc/85/17/75/568851775.db2.gz SWPMMVWIXMLCDM-UHFFFAOYSA-N -1 0 427.482 4.489 50 0 IIAARM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4F)cc3)nn2)CC1 ZINC000015882206 568856689 /nfs/dbraw/zinc/85/66/89/568856689.db2.gz XQFRXUHGBBTRRG-UHFFFAOYSA-N -1 0 444.507 4.459 50 0 IIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064557822 568932106 /nfs/dbraw/zinc/93/21/06/568932106.db2.gz AGJZKAROZCEFNU-OAQYLSRUSA-N -1 0 435.501 4.335 50 0 IIAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920328 568985391 /nfs/dbraw/zinc/98/53/91/568985391.db2.gz AODHOEQHJOIWLI-UHFFFAOYSA-N -1 0 431.417 4.375 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1Cl ZINC000065031218 569091516 /nfs/dbraw/zinc/09/15/16/569091516.db2.gz BNOKYZMFQCCUMT-UHFFFAOYSA-N -1 0 428.919 4.491 50 0 IIAARM Cc1cc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)ccc1Br ZINC000065150356 569111021 /nfs/dbraw/zinc/11/10/21/569111021.db2.gz NHSSQPCPEGRMNY-UHFFFAOYSA-N -1 0 433.327 4.497 50 0 IIAARM COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cc1 ZINC000524731695 569126571 /nfs/dbraw/zinc/12/65/71/569126571.db2.gz HSBCKYYUIBEAGK-KRWDZBQOSA-N -1 0 442.423 4.393 50 0 biogenic IIAARM CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000037018937 569139638 /nfs/dbraw/zinc/13/96/38/569139638.db2.gz UKPFWYXJSVONBK-SEWDUPMJSA-N -1 0 428.510 4.174 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(F)cc(F)c2)ccc1C ZINC000089651361 569160637 /nfs/dbraw/zinc/16/06/37/569160637.db2.gz QUOBJJCCDMMQDI-UHFFFAOYSA-N -1 0 432.448 4.335 50 0 IIAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1nc2ccccc2s1 ZINC000016848354 569164174 /nfs/dbraw/zinc/16/41/74/569164174.db2.gz MEEPTXLRJHKYRZ-UHFFFAOYSA-N -1 0 444.563 4.125 50 0 IIAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002105248 569181118 /nfs/dbraw/zinc/18/11/18/569181118.db2.gz DMTLUCXYIKQEPL-IBGZPJMESA-N -1 0 439.508 4.193 50 0 biogenic IIAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002115918 569182492 /nfs/dbraw/zinc/18/24/92/569182492.db2.gz MUBOLEPVSZVZDD-SFHVURJKSA-N -1 0 427.497 4.366 50 0 biogenic IIAARM O=S(=O)([N-]c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1 ZINC000002255103 569216751 /nfs/dbraw/zinc/21/67/51/569216751.db2.gz ZSGBAJPLQNGMPF-UHFFFAOYSA-N -1 0 427.489 4.259 50 0 IIAARM COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471575 569282707 /nfs/dbraw/zinc/28/27/07/569282707.db2.gz VKIWKGGJGFCFJS-INIZCTEOSA-N -1 0 429.856 4.182 50 0 IIAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000002356062 569286010 /nfs/dbraw/zinc/28/60/10/569286010.db2.gz TXGJULQFYRVBRC-UHFFFAOYSA-N -1 0 448.533 4.487 50 0 IIAARM CCOP(=O)(OCC)[C@@]([N-]c1nc2ccccc2s1)(C(=O)OC)C(F)(F)F ZINC000002411832 569301077 /nfs/dbraw/zinc/30/10/77/569301077.db2.gz QEMGVGUIURWMTP-AWEZNQCLSA-N -1 0 426.353 4.406 50 0 IIAARM O=C([O-])c1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000013150465 569312272 /nfs/dbraw/zinc/31/22/72/569312272.db2.gz JCSSIVRVFCXANJ-UHFFFAOYSA-N -1 0 425.655 4.123 50 0 IIAARM O=C(NCc1ccccc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349272 569313228 /nfs/dbraw/zinc/31/32/28/569313228.db2.gz VRQYPHPPAURHLP-UHFFFAOYSA-N -1 0 438.534 4.419 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc3ccccc3[nH]c2=O)cc1 ZINC000095946155 569376021 /nfs/dbraw/zinc/37/60/21/569376021.db2.gz LSINHLJDKIVZBD-UHFFFAOYSA-N -1 0 425.897 4.353 50 0 IIAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1)c1cccs1 ZINC000096024600 569380612 /nfs/dbraw/zinc/38/06/12/569380612.db2.gz VUCMSRUGTKRNFP-MRXNPFEDSA-N -1 0 442.562 4.256 50 0 IIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000096361134 569397640 /nfs/dbraw/zinc/39/76/40/569397640.db2.gz GFVZZQJRVJGAQL-UHFFFAOYSA-N -1 0 438.431 4.098 50 0 IIAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361234 569397738 /nfs/dbraw/zinc/39/77/38/569397738.db2.gz GOSKSIRFCCFANA-UHFFFAOYSA-N -1 0 444.822 4.135 50 0 IIAARM O=C(CCCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002648228 569414441 /nfs/dbraw/zinc/41/44/41/569414441.db2.gz GDSYLOLXBKKVGD-UHFFFAOYSA-N -1 0 433.580 4.455 50 0 IIAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003051673 569439320 /nfs/dbraw/zinc/43/93/20/569439320.db2.gz DJMPTUDDZMJSOU-UHFFFAOYSA-N -1 0 435.936 4.317 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2)cc1 ZINC000003137152 569440768 /nfs/dbraw/zinc/44/07/68/569440768.db2.gz RGHNYOWRPSUSBI-UHFFFAOYSA-N -1 0 447.520 4.001 50 0 IIAARM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1cc2ccccc2o1 ZINC000003346608 569447138 /nfs/dbraw/zinc/44/71/38/569447138.db2.gz IZAMTFGVXDMWCA-UHFFFAOYSA-N -1 0 441.486 4.335 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000058141619 569448712 /nfs/dbraw/zinc/44/87/12/569448712.db2.gz HKDCCLAUXMPLRU-UHFFFAOYSA-N -1 0 439.100 4.160 50 0 IIAARM COc1ccc2c(c1)[C@H](OC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1CO2 ZINC000004107800 569459112 /nfs/dbraw/zinc/45/91/12/569459112.db2.gz OPBGVUBNYSHXTH-JOCHJYFZSA-N -1 0 439.489 4.101 50 0 IIAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694584 569470137 /nfs/dbraw/zinc/47/01/37/569470137.db2.gz OSFDMLXZXFHOSK-GCJKJVERSA-N -1 0 444.318 4.178 50 0 IIAARM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OCC(F)(F)F)ccc2o1 ZINC000040058132 569484702 /nfs/dbraw/zinc/48/47/02/569484702.db2.gz LBMGOFFZVVQYLV-UHFFFAOYSA-N -1 0 433.791 4.188 50 0 IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cccc(CC)c3)cc21 ZINC000040450310 569506305 /nfs/dbraw/zinc/50/63/05/569506305.db2.gz LBQHIWMZSASYGD-UHFFFAOYSA-N -1 0 437.359 4.111 50 0 IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc21 ZINC000040450270 569506270 /nfs/dbraw/zinc/50/62/70/569506270.db2.gz AXAHVHWXBLIJIZ-UHFFFAOYSA-N -1 0 443.750 4.202 50 0 IIAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(Br)cc2C[C@@H]1C ZINC000040454539 569506475 /nfs/dbraw/zinc/50/64/75/569506475.db2.gz IYKHZTVKTMNPJD-ZDUSSCGKSA-N -1 0 437.359 4.164 50 0 IIAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000009233460 569513855 /nfs/dbraw/zinc/51/38/55/569513855.db2.gz OLQAGQFHLLZLJT-LZYBPNLTSA-N -1 0 430.869 4.022 50 0 IIAARM COc1ccc(OCC(=O)N2[N-]C(=O)SC=C2c2ccc(Br)cc2)cc1 ZINC000009339770 569523771 /nfs/dbraw/zinc/52/37/71/569523771.db2.gz YSVGZDHLUVELBF-UHFFFAOYSA-N -1 0 435.299 4.035 50 0 IIAARM O=c1nc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)[n-]c2ccsc21 ZINC000009379480 569527715 /nfs/dbraw/zinc/52/77/15/569527715.db2.gz JWYWQCFPXVNZKM-UHFFFAOYSA-N -1 0 444.973 4.111 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)c1 ZINC000009403956 569529546 /nfs/dbraw/zinc/52/95/46/569529546.db2.gz LZTBTWWWXDRPKK-UHFFFAOYSA-N -1 0 427.507 4.176 50 0 IIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3cc(C)ccc3nc21 ZINC000009446599 569535946 /nfs/dbraw/zinc/53/59/46/569535946.db2.gz RXHJIIRLMJGGJH-UHFFFAOYSA-N -1 0 437.525 4.062 50 0 IIAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)ccc1[O-] ZINC000009587050 569549716 /nfs/dbraw/zinc/54/97/16/569549716.db2.gz TUGSBHFDYNKMRQ-UHFFFAOYSA-N -1 0 426.473 4.058 50 0 IIAARM O=c1nc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)[n-]c2ccsc21 ZINC000010316742 569580909 /nfs/dbraw/zinc/58/09/09/569580909.db2.gz GEUBCWNDUGZBQP-UHFFFAOYSA-N -1 0 436.493 4.115 50 0 IIAARM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000009562572 132321706 /nfs/dbraw/zinc/32/17/06/132321706.db2.gz YHZNHWRHICMTKO-UHFFFAOYSA-N -1 0 448.585 4.245 50 0 IIAARM CC(C)CC(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260698 519607203 /nfs/dbraw/zinc/60/72/03/519607203.db2.gz JCBPEKIUEAMPGM-UHFFFAOYSA-N -1 0 432.524 4.244 50 0 IIAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 ZINC000015857134 520630599 /nfs/dbraw/zinc/63/05/99/520630599.db2.gz WWJJSCMSMGSGJP-UNOMPAQXSA-N -1 0 444.915 4.384 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC ZINC000020644759 520787361 /nfs/dbraw/zinc/78/73/61/520787361.db2.gz PQCKVIYIJZITIF-UHFFFAOYSA-N -1 0 447.601 4.429 50 0 IIAARM CCCCn1c(SCc2nc(=O)c3sccc3[n-]2)nc2sc(C)c(C)c2c1=O ZINC000012897437 521372253 /nfs/dbraw/zinc/37/22/53/521372253.db2.gz LANBSYXEYGEHSS-UHFFFAOYSA-N -1 0 432.596 4.465 50 0 IIAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022795292 521695824 /nfs/dbraw/zinc/69/58/24/521695824.db2.gz XAMPRUOUXSSPJX-KRWDZBQOSA-N -1 0 443.960 4.137 50 0 IIAARM CCNC(=O)COc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000012643287 521738428 /nfs/dbraw/zinc/73/84/28/521738428.db2.gz ZDLIGYXGTDONRV-FOWTUZBSSA-N -1 0 440.521 4.225 50 0 IIAARM CCc1nc(COC(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cs1 ZINC000021639854 522361588 /nfs/dbraw/zinc/36/15/88/522361588.db2.gz UEORJGQVHNCVKB-UHFFFAOYSA-N -1 0 446.550 4.180 50 0 IIAARM COc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000033678320 525639845 /nfs/dbraw/zinc/63/98/45/525639845.db2.gz SQHZMTCWGXGRSC-GOSISDBHSA-N -1 0 441.871 4.422 50 0 IIAARM COc1cccc(-c2c([C@@H]3c4ccccc4C(=O)N3CC(=O)[O-])c3ccccc3n2C)c1 ZINC000009667374 525698702 /nfs/dbraw/zinc/69/87/02/525698702.db2.gz KPQVKHQZDJBPJR-VWLOTQADSA-N -1 0 426.472 4.484 50 0 IIAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1I)Cc1ccc(Cl)cc1 ZINC000035141971 526299463 /nfs/dbraw/zinc/29/94/63/526299463.db2.gz CTVDZYOERBRMMV-LBPRGKRZSA-N -1 0 443.668 4.217 50 0 IIAARM O=C([O-])c1ccc(CNC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC000020744769 526366004 /nfs/dbraw/zinc/36/60/04/526366004.db2.gz NJFDSWLEOZVHAI-UHFFFAOYSA-N -1 0 431.311 4.130 50 0 IIAARM O=C([O-])c1cccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)c1 ZINC000035476610 526393616 /nfs/dbraw/zinc/39/36/16/526393616.db2.gz BCGNRCDJNWJGNG-UHFFFAOYSA-N -1 0 425.242 4.306 50 0 IIAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012552466 526981571 /nfs/dbraw/zinc/98/15/71/526981571.db2.gz HIXGOKLFJCDCGA-UHFFFAOYSA-N -1 0 429.723 4.030 50 0 IIAARM Cc1nc2sc([C@H](c3ccccc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023156814 527207289 /nfs/dbraw/zinc/20/72/89/527207289.db2.gz HIWKEKGWVKHIHG-IBGZPJMESA-N -1 0 439.972 4.370 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000012532632 527257309 /nfs/dbraw/zinc/25/73/09/527257309.db2.gz KEEXAECREABFAN-CQSZACIVSA-N -1 0 436.459 4.209 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)no1 ZINC000000671115 555531308 /nfs/dbraw/zinc/53/13/08/555531308.db2.gz DRRCQQFLVIBMJI-UHFFFAOYSA-N -1 0 426.281 4.343 50 0 IIAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000000847750 555570003 /nfs/dbraw/zinc/57/00/03/555570003.db2.gz JEXCKJDKNLTMRI-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM NC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000001026363 555604368 /nfs/dbraw/zinc/60/43/68/555604368.db2.gz CYXUEILNSFAEOF-UHFFFAOYSA-N -1 0 444.431 4.473 50 0 IIAARM COc1ccc(OC)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001110635 555631389 /nfs/dbraw/zinc/63/13/89/555631389.db2.gz HZJSTSZDATZJQH-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM CCOC(=O)C1CCN(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])CC1 ZINC000001217990 555684800 /nfs/dbraw/zinc/68/48/00/555684800.db2.gz KSWUQCFZSRTXEF-UHFFFAOYSA-N -1 0 443.110 4.414 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000001220860 555685956 /nfs/dbraw/zinc/68/59/56/555685956.db2.gz JVGQDQDURUBNNW-UTNLWQBASA-N -1 0 445.474 4.475 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000001220862 555685970 /nfs/dbraw/zinc/68/59/70/555685970.db2.gz JVGQDQDURUBNNW-OHTDUKGKSA-N -1 0 445.474 4.475 50 0 IIAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001795991 555716655 /nfs/dbraw/zinc/71/66/55/555716655.db2.gz ODODBPHOBJENGR-IBGZPJMESA-N -1 0 431.897 4.107 50 0 IIAARM O=C([O-])c1cccc(NC(=O)N[C@H](OC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000003168155 555893587 /nfs/dbraw/zinc/89/35/87/555893587.db2.gz UIBDWXOKRNGHCJ-OAHLLOKOSA-N -1 0 431.659 4.060 50 0 IIAARM Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1 ZINC000003991866 555952566 /nfs/dbraw/zinc/95/25/66/555952566.db2.gz CDORHVLQFWYBJB-UHFFFAOYSA-N -1 0 438.505 4.363 50 0 IIAARM CCOc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C)ccc3C)cn2)cc1OCC ZINC000002792744 556144572 /nfs/dbraw/zinc/14/45/72/556144572.db2.gz IZNDLNPPAAVQGA-UHFFFAOYSA-N -1 0 429.542 4.146 50 0 IIAARM COc1ccc(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000008387051 556162475 /nfs/dbraw/zinc/16/24/75/556162475.db2.gz MXXOXLANWBNXFB-SFHVURJKSA-N -1 0 431.488 4.477 50 0 IIAARM Cc1cc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)c(C)c1 ZINC000013896458 556329539 /nfs/dbraw/zinc/32/95/39/556329539.db2.gz ZYXIPVCHAUCZMV-UHFFFAOYSA-N -1 0 428.444 4.363 50 0 IIAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013004993 556434836 /nfs/dbraw/zinc/43/48/36/556434836.db2.gz SMHNVJFMBDWYJF-HZPDHXFCSA-N -1 0 448.928 4.055 50 0 IIAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000013253429 556500940 /nfs/dbraw/zinc/50/09/40/556500940.db2.gz OQCYYZZICLSREP-UHFFFAOYSA-N -1 0 444.981 4.124 50 0 IIAARM CCCCOc1cccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)c1 ZINC000034764894 556582420 /nfs/dbraw/zinc/58/24/20/556582420.db2.gz JCHVSXUZCMQMIF-UHFFFAOYSA-N -1 0 434.540 4.105 50 0 IIAARM COc1ccc(-c2cc3[n-]c(CN(C)Cc4nc5ccccc5n4C)nc(=O)c3s2)cc1 ZINC000072311999 556596035 /nfs/dbraw/zinc/59/60/35/556596035.db2.gz BUUONAMWOQXSJB-UHFFFAOYSA-N -1 0 445.548 4.179 50 0 IIAARM Cc1nc2scc(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4F)c3)n2c(=O)c1C ZINC000011791572 556656281 /nfs/dbraw/zinc/65/62/81/556656281.db2.gz XCXGQBVSLOQFOI-UHFFFAOYSA-N -1 0 447.488 4.119 50 0 IIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000017097510 556661724 /nfs/dbraw/zinc/66/17/24/556661724.db2.gz ZXECJYSADASNSH-CVEARBPZSA-N -1 0 431.510 4.348 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017098105 556662812 /nfs/dbraw/zinc/66/28/12/556662812.db2.gz SOLLDPBTSPAZCM-KBMXLJTQSA-N -1 0 432.586 4.375 50 0 IIAARM CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000245239087 556683970 /nfs/dbraw/zinc/68/39/70/556683970.db2.gz FDQZIAJMTCXURQ-SHTZXODSSA-N -1 0 449.931 4.175 50 0 biogenic IIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000019638407 556836504 /nfs/dbraw/zinc/83/65/04/556836504.db2.gz KRYNIABVMOXGHP-HZPDHXFCSA-N -1 0 443.521 4.138 50 0 IIAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c(C)nn(C)c4C)cc3)sc2c1 ZINC000033169205 556881397 /nfs/dbraw/zinc/88/13/97/556881397.db2.gz LNZYLVFPGAQIQP-UHFFFAOYSA-N -1 0 428.539 4.123 50 0 IIAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1 ZINC000033173761 556883561 /nfs/dbraw/zinc/88/35/61/556883561.db2.gz AGVQXMATGCJHIM-UHFFFAOYSA-N -1 0 446.428 4.318 50 0 IIAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O ZINC000019902812 556942387 /nfs/dbraw/zinc/94/23/87/556942387.db2.gz WASRIFCQGFAZSZ-AWEZNQCLSA-N -1 0 427.425 4.421 50 0 IIAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000046053395 557026489 /nfs/dbraw/zinc/02/64/89/557026489.db2.gz GAMGKCUGDUMZTE-UHFFFAOYSA-N -1 0 430.888 4.070 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])c1C ZINC000046053615 557026762 /nfs/dbraw/zinc/02/67/62/557026762.db2.gz FJHQCGFQKWDJDB-UHFFFAOYSA-N -1 0 426.542 4.211 50 0 IIAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000032946587 557032284 /nfs/dbraw/zinc/03/22/84/557032284.db2.gz QMNXINXHXJGNIX-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000048302492 557063639 /nfs/dbraw/zinc/06/36/39/557063639.db2.gz YRFGUDFTEXNHGF-UHFFFAOYSA-N -1 0 442.522 4.059 50 0 IIAARM COc1ccc(OC)c(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c1 ZINC000049409592 557104618 /nfs/dbraw/zinc/10/46/18/557104618.db2.gz WRBATAATRSWZEK-UHFFFAOYSA-N -1 0 436.489 4.086 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccs1 ZINC000000785541 557185447 /nfs/dbraw/zinc/18/54/47/557185447.db2.gz VYXIVLMKNWFFOV-UHFFFAOYSA-N -1 0 428.944 4.003 50 0 IIAARM CCc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 ZINC000100068857 557226274 /nfs/dbraw/zinc/22/62/74/557226274.db2.gz HAACNFNCOBELSE-INIZCTEOSA-N -1 0 432.505 4.106 50 0 IIAARM CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(C(C)C)cc3)C2)c([O-])[nH]c1=S ZINC000101456177 557286620 /nfs/dbraw/zinc/28/66/20/557286620.db2.gz YRACXXCIUYAYHF-SFHVURJKSA-N -1 0 428.558 4.233 50 0 IIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O ZINC000101766579 557295794 /nfs/dbraw/zinc/29/57/94/557295794.db2.gz KSXBDTZOJXGYIV-LJQANCHMSA-N -1 0 437.521 4.106 50 0 IIAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)N1CCC(C)CC1 ZINC000101831396 557300819 /nfs/dbraw/zinc/30/08/19/557300819.db2.gz XIMVASXYUCQDGG-UHFFFAOYSA-N -1 0 430.961 4.464 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)cc1 ZINC000102479110 557340245 /nfs/dbraw/zinc/34/02/45/557340245.db2.gz BUZDWLFBIOWMIE-WOJBJXKFSA-N -1 0 449.898 4.359 50 0 IIAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000102896636 557410835 /nfs/dbraw/zinc/41/08/35/557410835.db2.gz PQINHNWEILYLBU-RHSMWYFYSA-N -1 0 448.976 4.077 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(C)cs1 ZINC000103034771 557415970 /nfs/dbraw/zinc/41/59/70/557415970.db2.gz AQCVVAQIAAWNHL-AWEZNQCLSA-N -1 0 437.930 4.163 50 0 IIAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1Cl ZINC000000856477 557831435 /nfs/dbraw/zinc/83/14/35/557831435.db2.gz RPNYGARFMLGHHX-LIKPIUCQSA-N -1 0 429.859 4.435 50 0 IIAARM CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002371562 562927208 /nfs/dbraw/zinc/92/72/08/562927208.db2.gz CUWFKQGJMRIMRI-UHFFFAOYSA-N -1 0 433.493 4.133 50 0 IIAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000003442089 562935921 /nfs/dbraw/zinc/93/59/21/562935921.db2.gz LNRDJFRTAYHUKI-UHFFFAOYSA-N -1 0 435.527 4.399 50 0 IIAARM COc1ccc(CN2C(=O)c3ccccc3C(=CNc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000006296148 562946628 /nfs/dbraw/zinc/94/66/28/562946628.db2.gz ZERNVEIBAJRATR-STZFKDTASA-N -1 0 428.444 4.029 50 0 IIAARM COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/NC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000009579904 562973481 /nfs/dbraw/zinc/97/34/81/562973481.db2.gz WEVWYXYQQYXISC-XQNSMLJCSA-N -1 0 439.471 4.403 50 0 IIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)Oc2ccccc2NC(=O)CCC(=O)[O-])c1Cl ZINC000009960283 562977876 /nfs/dbraw/zinc/97/78/76/562977876.db2.gz GFQGALWOIQWDBB-UHFFFAOYSA-N -1 0 446.308 4.181 50 0 IIAARM CC(NCc1ccccc1C(F)(F)F)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000001407330 568787057 /nfs/dbraw/zinc/78/70/57/568787057.db2.gz VHHZHZACOUVHAG-LFIBNONCSA-N -1 0 437.805 4.005 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000015730521 568814053 /nfs/dbraw/zinc/81/40/53/568814053.db2.gz DJSKCTOREYDKMA-ZDUSSCGKSA-N -1 0 436.555 4.108 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664632 568833752 /nfs/dbraw/zinc/83/37/52/568833752.db2.gz BPGJFIKQUKWUTH-UHFFFAOYSA-N -1 0 445.444 4.135 50 0 IIAARM C[C@@H](Sc1nnc(COc2cccc(Br)c2)n1Cc1ccccc1)C(=O)[O-] ZINC000015838427 568844452 /nfs/dbraw/zinc/84/44/52/568844452.db2.gz HRCZTQCAHBBBEM-CYBMUJFWSA-N -1 0 448.342 4.233 50 0 IIAARM CCc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035836822 568928119 /nfs/dbraw/zinc/92/81/19/568928119.db2.gz NUOJFHWQEYWYIS-NDENLUEZSA-N -1 0 436.899 4.195 50 0 IIAARM COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557743 568931944 /nfs/dbraw/zinc/93/19/44/568931944.db2.gz UNKRBEJMIVDFQJ-NRFANRHFSA-N -1 0 435.501 4.335 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589433 568934907 /nfs/dbraw/zinc/93/49/07/568934907.db2.gz WVFRJDJCRZDRFH-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])c1 ZINC000064589671 568934935 /nfs/dbraw/zinc/93/49/35/568934935.db2.gz WVUQHLMXFQYWNC-UHFFFAOYSA-N -1 0 447.510 4.407 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3C)c(C(=O)[O-])c2)CC1 ZINC000064589567 568935047 /nfs/dbraw/zinc/93/50/47/568935047.db2.gz KPCLEEQJEYDGLJ-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862281 568974118 /nfs/dbraw/zinc/97/41/18/568974118.db2.gz HCGOIBIBUOGLKG-UHFFFAOYSA-N -1 0 443.569 4.291 50 0 IIAARM O=S(=O)([N-][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1c(F)cccc1F ZINC000036390903 569097658 /nfs/dbraw/zinc/09/76/58/569097658.db2.gz BGIZILKRIZGZOM-IBGZPJMESA-N -1 0 431.439 4.173 50 0 IIAARM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3)nc3ccccc3n12 ZINC000065096432 569103553 /nfs/dbraw/zinc/10/35/53/569103553.db2.gz GMEIVVANGBNPRV-UHFFFAOYSA-N -1 0 437.506 4.241 50 0 IIAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3)c2)sc1C(=O)N1CCCC1 ZINC000065117037 569107479 /nfs/dbraw/zinc/10/74/79/569107479.db2.gz SHXCLPOLKDEEBA-UHFFFAOYSA-N -1 0 433.580 4.217 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000017250657 569176455 /nfs/dbraw/zinc/17/64/55/569176455.db2.gz OUNAUSKAAAZCAK-UHFFFAOYSA-N -1 0 426.448 4.321 50 0 IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)[O-])c4ccc(O)cc4)c(C)c3cc2c1C ZINC000002111690 569181975 /nfs/dbraw/zinc/18/19/75/569181975.db2.gz LCMMHNPAQKCQNF-HSZRJFAPSA-N -1 0 449.459 4.045 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002159368 569187664 /nfs/dbraw/zinc/18/76/64/569187664.db2.gz VNCIOSPUHGSFHI-LBPRGKRZSA-N -1 0 439.851 4.300 50 0 biogenic IIAARM CCOC(=O)c1c(C)n(C)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(C)c(C)c3)c21 ZINC000002197297 569191493 /nfs/dbraw/zinc/19/14/93/569191493.db2.gz OSFVKVZNTQUKEF-UHFFFAOYSA-N -1 0 430.526 4.090 50 0 IIAARM COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471019 569282581 /nfs/dbraw/zinc/28/25/81/569282581.db2.gz KFIMUEIRPDKXRQ-MRXNPFEDSA-N -1 0 429.856 4.182 50 0 IIAARM COc1ccc([C@H](CC(=O)Nc2cccc(Cl)c2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471015 569282590 /nfs/dbraw/zinc/28/25/90/569282590.db2.gz KFIMUEIRPDKXRQ-INIZCTEOSA-N -1 0 429.856 4.182 50 0 IIAARM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)cc12 ZINC000328592014 569317217 /nfs/dbraw/zinc/31/72/17/569317217.db2.gz NFAMHOPFPRAKHC-OAHLLOKOSA-N -1 0 442.932 4.240 50 0 IIAARM CC(C)n1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1 ZINC000096114184 569382755 /nfs/dbraw/zinc/38/27/55/569382755.db2.gz SCHOYQFWXHFROD-MRXNPFEDSA-N -1 0 432.432 4.090 50 0 biogenic IIAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000096116420 569383811 /nfs/dbraw/zinc/38/38/11/569383811.db2.gz ICGRKTAZBJIYPV-MRXNPFEDSA-N -1 0 428.396 4.305 50 0 biogenic IIAARM CCCCSc1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1)n(C)c(=O)n2C ZINC000028049259 569406738 /nfs/dbraw/zinc/40/67/38/569406738.db2.gz PIWNNRAWNZBMLJ-UHFFFAOYSA-N -1 0 439.990 4.223 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000003377908 569448704 /nfs/dbraw/zinc/44/87/04/569448704.db2.gz GMXQJBJKOSJQJU-UHFFFAOYSA-N -1 0 444.534 4.159 50 0 IIAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)ccc1O ZINC000217745958 569452572 /nfs/dbraw/zinc/45/25/72/569452572.db2.gz XTVYFCLFUXDYBA-OAHLLOKOSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)CCC(=O)[O-] ZINC000008861902 569480121 /nfs/dbraw/zinc/48/01/21/569480121.db2.gz WNEZNGNNWYKDJE-UHFFFAOYSA-N -1 0 442.313 4.125 50 0 IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000040115219 569489252 /nfs/dbraw/zinc/48/92/52/569489252.db2.gz WBSHFLCTKCYRPC-MRXNPFEDSA-N -1 0 448.850 4.277 50 0 IIAARM CO[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000008993734 569495471 /nfs/dbraw/zinc/49/54/71/569495471.db2.gz ULOQCXMGMFANAC-RXVVDRJESA-N -1 0 432.398 4.226 50 0 IIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)c(O)c(OC)c2)CC(=O)N3)cc1 ZINC000040313068 569498898 /nfs/dbraw/zinc/49/88/98/569498898.db2.gz ZFVBGBDGRFVTDJ-HNNXBMFYSA-N -1 0 438.436 4.031 50 0 biogenic IIAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc21 ZINC000040450200 569506307 /nfs/dbraw/zinc/50/63/07/569506307.db2.gz YUMAVENWJBHXMU-UHFFFAOYSA-N -1 0 437.359 4.282 50 0 IIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(-c2ccno2)c1 ZINC000009228214 569513615 /nfs/dbraw/zinc/51/36/15/569513615.db2.gz UJGODZMPULXESH-UHFFFAOYSA-N -1 0 425.466 4.423 50 0 IIAARM CCCSc1ncc(Br)c(C(=O)[N-]c2nonc2-c2ccc(C)cc2)n1 ZINC000009409800 569531123 /nfs/dbraw/zinc/53/11/23/569531123.db2.gz JOTDCZHUNQHIKF-UHFFFAOYSA-N -1 0 434.319 4.352 50 0 IIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000009507190 569541931 /nfs/dbraw/zinc/54/19/31/569541931.db2.gz GJTIURMSAUVNGK-UHFFFAOYSA-N -1 0 437.230 4.394 50 0 IIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000009646355 569556244 /nfs/dbraw/zinc/55/62/44/569556244.db2.gz MPRNUIPFMPFQQJ-UHFFFAOYSA-N -1 0 441.914 4.159 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000009670718 569558377 /nfs/dbraw/zinc/55/83/77/569558377.db2.gz BWKYUMYGDGZEAH-IEBWSBKVSA-N -1 0 428.554 4.148 50 0 IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1Cl ZINC000013725441 569583548 /nfs/dbraw/zinc/58/35/48/569583548.db2.gz YIRAUMRXCFZSIM-UHFFFAOYSA-N -1 0 442.349 4.432 50 0 IIAARM C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088804 193878336 /nfs/dbraw/zinc/87/83/36/193878336.db2.gz XKBPOSPJPVGHGO-GFCCVEGCSA-N -1 0 437.930 4.003 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1Cl ZINC000006267779 193894858 /nfs/dbraw/zinc/89/48/58/193894858.db2.gz NKYVUOYLUBQEEG-UHFFFAOYSA-N -1 0 444.940 4.122 50 0 IIAARM CCc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000009716861 132239036 /nfs/dbraw/zinc/23/90/36/132239036.db2.gz UOSIZFRCUUACSB-GOSISDBHSA-N -1 0 443.573 4.171 50 0 IIAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCc2ccccc2C1 ZINC000002315600 132252010 /nfs/dbraw/zinc/25/20/10/132252010.db2.gz YMZCUAVAHLJASG-UHFFFAOYSA-N -1 0 430.533 4.302 50 0 aggregator IIAARM O=C([N-]S(=O)(=O)c1ccccc1F)Nc1nc(-c2ccc3ccccc3n2)cs1 ZINC000001418635 272488392 /nfs/dbraw/zinc/48/83/92/272488392.db2.gz PAOJKGMDZVQTEK-UHFFFAOYSA-N -1 0 428.470 4.008 50 0 IIAARM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000012738430 519725660 /nfs/dbraw/zinc/72/56/60/519725660.db2.gz MXQAGOACLBFNAF-UHFFFAOYSA-N -1 0 449.941 4.413 50 0 IIAARM CCOc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc(OCC)c1OCC ZINC000012411422 520666140 /nfs/dbraw/zinc/66/61/40/520666140.db2.gz ZICRXIZYDJLYTO-QGZVFWFLSA-N -1 0 435.904 4.482 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NC3CCCCCC3)c(=O)c2cc1OCC ZINC000020644672 520788102 /nfs/dbraw/zinc/78/81/02/520788102.db2.gz SNWLWCJVCNNASN-UHFFFAOYSA-N -1 0 447.601 4.476 50 0 IIAARM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4cc(F)ccc4F)c3)nn2)CC1 ZINC000020554821 521037293 /nfs/dbraw/zinc/03/72/93/521037293.db2.gz AAYXSPJLNQHQHK-UHFFFAOYSA-N -1 0 444.507 4.459 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)noc3C)ccc2Cl)cc1 ZINC000012552272 521130094 /nfs/dbraw/zinc/13/00/94/521130094.db2.gz ZNJRHMGMZFRTDO-UHFFFAOYSA-N -1 0 449.916 4.397 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)cc1 ZINC000012630340 521130645 /nfs/dbraw/zinc/13/06/45/521130645.db2.gz SZRQAQGLEIDBFG-UHFFFAOYSA-N -1 0 434.901 4.063 50 0 IIAARM CCNC(=O)COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000012800687 521738496 /nfs/dbraw/zinc/73/84/96/521738496.db2.gz OQYZDGBSVMWBGF-GHRIWEEISA-N -1 0 446.503 4.333 50 0 IIAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000012544641 521778136 /nfs/dbraw/zinc/77/81/36/521778136.db2.gz VYQNRVMDRXCDNT-UHFFFAOYSA-N -1 0 442.722 4.302 50 0 IIAARM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990405 523844855 /nfs/dbraw/zinc/84/48/55/523844855.db2.gz CTNWVZHHDRNHAM-UHFFFAOYSA-N -1 0 428.510 4.067 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)oc4C)c=3c2=O)cc1 ZINC000018202228 523963278 /nfs/dbraw/zinc/96/32/78/523963278.db2.gz IHKHJQPOIHVCLG-RTWAWAEBSA-N -1 0 429.480 4.014 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)COc2cccc(C)c2)c1 ZINC000035085263 524643689 /nfs/dbraw/zinc/64/36/89/524643689.db2.gz ASUGIKDMEPBNLT-UHFFFAOYSA-N -1 0 440.521 4.130 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000012561136 524646744 /nfs/dbraw/zinc/64/67/44/524646744.db2.gz QUKJOJWBHLNOJW-OAHLLOKOSA-N -1 0 442.562 4.317 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000012755897 524648237 /nfs/dbraw/zinc/64/82/37/524648237.db2.gz RXTXRQOUDFQLOY-UHFFFAOYSA-N -1 0 437.477 4.198 50 0 IIAARM Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)o2)n1 ZINC000035597482 524661286 /nfs/dbraw/zinc/66/12/86/524661286.db2.gz ODCGQMGETQTZHT-UHFFFAOYSA-N -1 0 425.388 4.055 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC3CCCC3)ccc2OC)cc1 ZINC000012536046 524688639 /nfs/dbraw/zinc/68/86/39/524688639.db2.gz CKFQKECCMZSGMN-UHFFFAOYSA-N -1 0 432.542 4.414 50 0 IIAARM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2s1 ZINC000012583643 525280325 /nfs/dbraw/zinc/28/03/25/525280325.db2.gz DKNPMCZHUKIQIG-UHFFFAOYSA-N -1 0 444.559 4.168 50 0 IIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)n1C ZINC000020989930 525573377 /nfs/dbraw/zinc/57/33/77/525573377.db2.gz VXGJOGLSUKWUIQ-UHFFFAOYSA-N -1 0 431.602 4.384 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000020532757 525618033 /nfs/dbraw/zinc/61/80/33/525618033.db2.gz BOQKBUJLLHSJQP-UHFFFAOYSA-N -1 0 435.427 4.462 50 0 IIAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccccc4Cl)c3)cn2n1 ZINC000012441350 525654266 /nfs/dbraw/zinc/65/42/66/525654266.db2.gz UZNKBOMLTCWUJC-UHFFFAOYSA-N -1 0 428.901 4.168 50 0 IIAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C ZINC000012775157 525675161 /nfs/dbraw/zinc/67/51/61/525675161.db2.gz JRIWDRWEAZPOFS-GJZGRUSLSA-N -1 0 444.597 4.279 50 0 IIAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4OC)cc(C(=O)[O-])c32)c1 ZINC000020850815 525719313 /nfs/dbraw/zinc/71/93/13/525719313.db2.gz WYKRCDWMEBVDRJ-UHFFFAOYSA-N -1 0 435.436 4.025 50 0 IIAARM Cc1ccc(-n2c(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n[n-]c2=S)cc1 ZINC000020848997 525895380 /nfs/dbraw/zinc/89/53/80/525895380.db2.gz PMJVBOVNPUORDD-UHFFFAOYSA-N -1 0 428.583 4.115 50 0 IIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000020763500 526304241 /nfs/dbraw/zinc/30/42/41/526304241.db2.gz DOUZACXADCXVSP-IBGZPJMESA-N -1 0 439.924 4.299 50 0 biogenic IIAARM O=C([O-])c1ccc(N2CCN(c3ccccn3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000021882287 526374302 /nfs/dbraw/zinc/37/43/02/526374302.db2.gz ZWLGOFAUSUYFTF-UHFFFAOYSA-N -1 0 436.899 4.012 50 0 IIAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-] ZINC000012409786 526574937 /nfs/dbraw/zinc/57/49/37/526574937.db2.gz YJTZDQQCZKVYFA-KRWDZBQOSA-N -1 0 430.526 4.374 50 0 IIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000058184377 526808118 /nfs/dbraw/zinc/80/81/18/526808118.db2.gz JZNDEOCDENSCRJ-UHFFFAOYSA-N -1 0 428.432 4.012 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852761 527206861 /nfs/dbraw/zinc/20/68/61/527206861.db2.gz WPGYBSOVSLMYEU-NRFANRHFSA-N -1 0 433.581 4.020 50 0 IIAARM O=S(=O)([N-]c1cscc1S(=O)(=O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000036048340 527256746 /nfs/dbraw/zinc/25/67/46/527256746.db2.gz IQBONNIUEHJJQP-UHFFFAOYSA-N -1 0 447.481 4.401 50 0 IIAARM COc1cc([N-]S(=O)(=O)c2c(C)oc3c2c(F)c(F)c(F)c3F)cc(OC)c1OC ZINC000001039536 555609374 /nfs/dbraw/zinc/60/93/74/555609374.db2.gz HWCUYNYPQFOBKO-UHFFFAOYSA-N -1 0 449.378 4.124 50 0 IIAARM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000001117291 555634971 /nfs/dbraw/zinc/63/49/71/555634971.db2.gz BPDROWZKSOVZHV-UHFFFAOYSA-N -1 0 433.489 4.297 50 0 IIAARM CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3C(=O)[O-])o2)N(CC)C1=S ZINC000001123222 555639094 /nfs/dbraw/zinc/63/90/94/555639094.db2.gz LINIEDMBRMSODZ-XNTDXEJSSA-N -1 0 449.326 4.217 50 0 IIAARM CC(C)(C)OC(=O)CC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386923 555774607 /nfs/dbraw/zinc/77/46/07/555774607.db2.gz XPCDWOCHPTYDPV-INIZCTEOSA-N -1 0 439.508 4.490 50 0 IIAARM Cc1ccc(Cl)c(OCc2ccc(C(=O)[N-]n3c(=O)c4ccccc4[nH]c3=S)o2)c1 ZINC000002793234 556144695 /nfs/dbraw/zinc/14/46/95/556144695.db2.gz OPIIFLAGYASLSN-UHFFFAOYSA-N -1 0 441.896 4.203 50 0 IIAARM O=C([O-])[C@@H](Cc1ccc(OC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000008619247 556193325 /nfs/dbraw/zinc/19/33/25/556193325.db2.gz BFBGTMUCHUBFCZ-JOCHJYFZSA-N -1 0 449.459 4.324 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000008687474 556200267 /nfs/dbraw/zinc/20/02/67/556200267.db2.gz PPKGLFAPTQFTOC-QPJJXVBHSA-N -1 0 428.901 4.060 50 0 IIAARM Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000009601185 556302487 /nfs/dbraw/zinc/30/24/87/556302487.db2.gz SLRBPQKTVFGNKD-UHFFFAOYSA-N -1 0 437.308 4.218 50 0 IIAARM Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)[O-])c4C)cc3C2=O)c1C ZINC000009720831 556307486 /nfs/dbraw/zinc/30/74/86/556307486.db2.gz ZXMMREUCOWGOCF-UHFFFAOYSA-N -1 0 428.444 4.363 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000013811332 556312559 /nfs/dbraw/zinc/31/25/59/556312559.db2.gz ZDTSWYWUPWCDBR-PWRODBHTSA-N -1 0 448.862 4.089 50 0 IIAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2cc(Cl)ccc2o1 ZINC000013115659 556468323 /nfs/dbraw/zinc/46/83/23/556468323.db2.gz UDUOTUIUWJCCMB-UHFFFAOYSA-N -1 0 445.862 4.227 50 0 IIAARM Nc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003104100 556523226 /nfs/dbraw/zinc/52/32/26/556523226.db2.gz BNDGOTGKFXPONZ-UHFFFAOYSA-N -1 0 425.901 4.410 50 0 IIAARM COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)NCCCCCC(=O)[O-])CC2 ZINC000013625004 556536645 /nfs/dbraw/zinc/53/66/45/556536645.db2.gz DCOFTHLHAWEHIZ-QHCPKHFHSA-N -1 0 444.503 4.145 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc(F)c1 ZINC000016124650 556584350 /nfs/dbraw/zinc/58/43/50/556584350.db2.gz TXFNRWXUHJQXMJ-UHFFFAOYSA-N -1 0 440.905 4.081 50 0 IIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017094942 556658096 /nfs/dbraw/zinc/65/80/96/556658096.db2.gz NOAJHLYENAKRDD-IAGOWNOFSA-N -1 0 426.538 4.445 50 0 IIAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238882037 556682002 /nfs/dbraw/zinc/68/20/02/556682002.db2.gz BXLNVDYRMWRFQD-KKUMJFAQSA-N -1 0 449.931 4.173 50 0 biogenic IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013696223 556712201 /nfs/dbraw/zinc/71/22/01/556712201.db2.gz CWBWCPXRCNNBGR-UHFFFAOYSA-N -1 0 428.535 4.069 50 0 IIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(I)cc2C)c1 ZINC000058625800 556790790 /nfs/dbraw/zinc/79/07/90/556790790.db2.gz XTHZZCAAMYNNNL-UHFFFAOYSA-N -1 0 438.290 4.257 50 0 IIAARM Cc1cc(Cl)ccc1NC(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097941994 556812505 /nfs/dbraw/zinc/81/25/05/556812505.db2.gz FDSSGQVJLWFSEN-UHFFFAOYSA-N -1 0 433.899 4.242 50 0 IIAARM Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000033173870 556883817 /nfs/dbraw/zinc/88/38/17/556883817.db2.gz SRDSDGNIDUEDKO-UHFFFAOYSA-N -1 0 445.444 4.037 50 0 IIAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000033170692 556886391 /nfs/dbraw/zinc/88/63/91/556886391.db2.gz QZZOJSZWJLZWIH-WQLSENKSSA-N -1 0 441.509 4.230 50 0 IIAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000017207051 557038502 /nfs/dbraw/zinc/03/85/02/557038502.db2.gz IRJTXDXDWWWBEM-UHFFFAOYSA-N -1 0 448.548 4.402 50 0 IIAARM COc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000017246215 557041466 /nfs/dbraw/zinc/04/14/66/557041466.db2.gz MMYIVCVQPPGIMD-UHFFFAOYSA-N -1 0 434.521 4.360 50 0 IIAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2OC)s1 ZINC000033306580 557085759 /nfs/dbraw/zinc/08/57/59/557085759.db2.gz MXXZKQBXNRDQAS-PKNBQFBNSA-N -1 0 447.538 4.373 50 0 IIAARM COc1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1OC ZINC000049409588 557104689 /nfs/dbraw/zinc/10/46/89/557104689.db2.gz NSRBKGHEOFGXJB-UHFFFAOYSA-N -1 0 436.489 4.086 50 0 IIAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000006142086 557117479 /nfs/dbraw/zinc/11/74/79/557117479.db2.gz OZBPVMCJZLVYJH-FYSMJZIKSA-N -1 0 443.455 4.169 50 0 IIAARM O=C1[C@H]([N-]c2nc(Cc3ccc(F)cc3)no2)CCCN1c1ccc(OC(F)F)cc1 ZINC000072301698 557226317 /nfs/dbraw/zinc/22/63/17/557226317.db2.gz CXCBGNCPOMCEBN-QGZVFWFLSA-N -1 0 432.402 4.008 50 0 IIAARM Cc1cc(=O)n2c(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc3)csc2n1 ZINC000011696427 557233239 /nfs/dbraw/zinc/23/32/39/557233239.db2.gz RBDVMXUOQCRHDP-UHFFFAOYSA-N -1 0 437.955 4.247 50 0 IIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)[nH]c1=O ZINC000101495649 557288950 /nfs/dbraw/zinc/28/89/50/557288950.db2.gz JDRUVEGCTHVXQH-KRWDZBQOSA-N -1 0 427.551 4.462 50 0 IIAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101495181 557288964 /nfs/dbraw/zinc/28/89/64/557288964.db2.gz OOXCGAJQFNYEIT-HXUWFJFHSA-N -1 0 429.501 4.290 50 0 IIAARM CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000101497380 557289493 /nfs/dbraw/zinc/28/94/93/557289493.db2.gz FBQNNUOMCKWSHK-ZDUSSCGKSA-N -1 0 436.537 4.126 50 0 IIAARM O=C(Nc1ccc(F)c(F)c1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828759 557300170 /nfs/dbraw/zinc/30/01/70/557300170.db2.gz PJBJLICSWWHSAS-UHFFFAOYSA-N -1 0 434.377 4.488 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102478958 557329180 /nfs/dbraw/zinc/32/91/80/557329180.db2.gz JGMACGANYJAZRU-OALUTQOASA-N -1 0 435.871 4.105 50 0 IIAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(O)c4)[C@@H]3C2=O)cc1 ZINC000102734541 557372397 /nfs/dbraw/zinc/37/23/97/557372397.db2.gz QQENCQLIBAWUEO-KMDXXIMOSA-N -1 0 444.487 4.232 50 0 IIAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)cc1Cl ZINC000102810922 557393167 /nfs/dbraw/zinc/39/31/67/557393167.db2.gz PPZFTWVTCYSQRI-GOSISDBHSA-N -1 0 438.871 4.089 50 0 IIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)cc1Cl ZINC000102901443 557411397 /nfs/dbraw/zinc/41/13/97/557411397.db2.gz GWMRRTYPQSQROM-SFHVURJKSA-N -1 0 426.835 4.220 50 0 IIAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)c(Cl)c3)cnn21 ZINC000102901420 557411457 /nfs/dbraw/zinc/41/14/57/557411457.db2.gz VTSPCZVIXUBOIK-GOSISDBHSA-N -1 0 438.871 4.089 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1 ZINC000003315840 562934143 /nfs/dbraw/zinc/93/41/43/562934143.db2.gz PQGSZGZBPBWIPC-UHFFFAOYSA-N -1 0 440.308 4.272 50 0 IIAARM CCc1cc(-c2n[nH]c(CCC(=O)[O-])c2-c2nnc(-c3ccccc3)s2)c(O)cc1O ZINC000009509071 562972567 /nfs/dbraw/zinc/97/25/67/562972567.db2.gz VUUBYHHHABSWNI-UHFFFAOYSA-N -1 0 436.493 4.253 50 0 IIAARM CCN(C(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccccc1 ZINC000013096921 562984326 /nfs/dbraw/zinc/98/43/26/562984326.db2.gz RSJXFHLQPGPMKT-CQSZACIVSA-N -1 0 447.413 4.195 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1C ZINC000039470856 563099170 /nfs/dbraw/zinc/09/91/70/563099170.db2.gz GENUYQNIXNCRSZ-UHFFFAOYSA-N -1 0 429.498 4.132 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c1 ZINC000025321350 568653367 /nfs/dbraw/zinc/65/33/67/568653367.db2.gz HIJRVZWLXOPHQN-UHFFFAOYSA-N -1 0 425.506 4.326 50 0 IIAARM CCc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(Br)c1 ZINC000003626910 568752098 /nfs/dbraw/zinc/75/20/98/568752098.db2.gz MXSHHDLBRORJAB-INIZCTEOSA-N -1 0 440.721 4.376 50 0 IIAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cccnc3)CC(=O)O4)c2=O)cc1OC ZINC000263585803 568759233 /nfs/dbraw/zinc/75/92/33/568759233.db2.gz MULJLXNLDVSDMO-HNNXBMFYSA-N -1 0 445.427 4.019 50 0 biogenic IIAARM CCOC(=O)c1c(NC(=O)CC2(CC(=O)[O-])CCCCC2)sc2c1CCSC2 ZINC000032496969 568811365 /nfs/dbraw/zinc/81/13/65/568811365.db2.gz CXISNRWIWGTUSL-UHFFFAOYSA-N -1 0 425.572 4.468 50 0 IIAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cccc(O)c2)cc1 ZINC000085879385 568839001 /nfs/dbraw/zinc/83/90/01/568839001.db2.gz AUTYPNIJXCTDCJ-QGZVFWFLSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)ccc2Cl)cc1 ZINC000001516637 568839602 /nfs/dbraw/zinc/83/96/02/568839602.db2.gz BEOYDJCCFPDKNJ-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000006144303 568846085 /nfs/dbraw/zinc/84/60/85/568846085.db2.gz AVMGLHIAHUGDSM-HNNXBMFYSA-N -1 0 427.453 4.055 50 0 IIAARM O=C(NCc1cccnc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000006189101 568872529 /nfs/dbraw/zinc/87/25/29/568872529.db2.gz HYGQWWOMOIHYPP-UHFFFAOYSA-N -1 0 436.320 4.119 50 0 IIAARM CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000001769215 568905869 /nfs/dbraw/zinc/90/58/69/568905869.db2.gz LWFIHQWVBYXGCQ-UHFFFAOYSA-N -1 0 429.498 4.215 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2ON1c1ccccc1 ZINC000245311675 568914542 /nfs/dbraw/zinc/91/45/42/568914542.db2.gz PYZFNPKDFMBVOX-HBMCJLEFSA-N -1 0 448.862 4.089 50 0 IIAARM Cc1ccc(C(=O)NC(=C([O-])c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000026771201 568916649 /nfs/dbraw/zinc/91/66/49/568916649.db2.gz PEPHHTJSMIRCBQ-QFIPXVFZSA-N -1 0 427.909 4.061 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1 ZINC000026954698 568927765 /nfs/dbraw/zinc/92/77/65/568927765.db2.gz INBHAVISOSJZRD-SAPNQHFASA-N -1 0 428.554 4.300 50 0 IIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000064557779 568932164 /nfs/dbraw/zinc/93/21/64/568932164.db2.gz NTFOGPJYLJKGNC-LJQANCHMSA-N -1 0 427.428 4.296 50 0 IIAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1 ZINC000064588737 568934718 /nfs/dbraw/zinc/93/47/18/568934718.db2.gz IPPUELMGBBFBNP-HNNXBMFYSA-N -1 0 430.888 4.070 50 0 IIAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C[C@@H](C)O1 ZINC000016689794 568938264 /nfs/dbraw/zinc/93/82/64/568938264.db2.gz KXNMHBIKBMTJCN-PBFPGSCMSA-N -1 0 428.489 4.094 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2)c1C ZINC000064820546 568967252 /nfs/dbraw/zinc/96/72/52/568967252.db2.gz VYTAJZVCZCLKCU-UHFFFAOYSA-N -1 0 434.540 4.458 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc1Cl ZINC000065008969 569087890 /nfs/dbraw/zinc/08/78/90/569087890.db2.gz GZQYFVDSJPZVBC-UHFFFAOYSA-N -1 0 441.962 4.237 50 0 IIAARM Cc1oc2cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000036576438 569118486 /nfs/dbraw/zinc/11/84/86/569118486.db2.gz SIPGFAILHHUWFU-NRFANRHFSA-N -1 0 443.883 4.026 50 0 IIAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC000036569297 569118587 /nfs/dbraw/zinc/11/85/87/569118587.db2.gz SKJSKDSSYDNNOK-KRWDZBQOSA-N -1 0 431.311 4.057 50 0 IIAARM CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000013135162 569125647 /nfs/dbraw/zinc/12/56/47/569125647.db2.gz PUGLASRGMDPIFK-UHFFFAOYSA-N -1 0 432.723 4.469 50 0 IIAARM NC(=O)c1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000170617457 569147350 /nfs/dbraw/zinc/14/73/50/569147350.db2.gz OSURZRJOVKTVOD-UHFFFAOYSA-N -1 0 442.368 4.025 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(CC(=O)NCc2cccs2)cc1 ZINC000013850390 569157232 /nfs/dbraw/zinc/15/72/32/569157232.db2.gz USHNIADGQOYEJF-UHFFFAOYSA-N -1 0 444.578 4.033 50 0 IIAARM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000089768287 569162479 /nfs/dbraw/zinc/16/24/79/569162479.db2.gz IVAQXVACXWHDDL-UHFFFAOYSA-N -1 0 445.100 4.243 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCCC3=CCCCC3)cs2)cc1 ZINC000016848650 569164315 /nfs/dbraw/zinc/16/43/15/569164315.db2.gz XRJPLRMXBOPGQH-UHFFFAOYSA-N -1 0 433.599 4.192 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000017026574 569171134 /nfs/dbraw/zinc/17/11/34/569171134.db2.gz KSVDFGCMVISQDC-UHFFFAOYSA-N -1 0 442.562 4.459 50 0 IIAARM Cc1cc(NC(=O)C2CCCCC2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1 ZINC000017053472 569172072 /nfs/dbraw/zinc/17/20/72/569172072.db2.gz VKTCJASCEXWBTC-UHFFFAOYSA-N -1 0 445.527 4.151 50 0 IIAARM Cc1cc(NC(=O)[C@@H](Sc2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c2ccccc2)no1 ZINC000017101330 569174021 /nfs/dbraw/zinc/17/40/21/569174021.db2.gz COVDAOXUCDNNSZ-VIOKTNGOSA-N -1 0 437.477 4.034 50 0 IIAARM O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000017169928 569175412 /nfs/dbraw/zinc/17/54/12/569175412.db2.gz NIWPVODITVRZNA-UHFFFAOYSA-N -1 0 434.489 4.420 50 0 IIAARM Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1C ZINC000170636850 569178218 /nfs/dbraw/zinc/17/82/18/569178218.db2.gz PGIMJTZWEQGFHQ-UHFFFAOYSA-N -1 0 439.493 4.248 50 0 IIAARM CCSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002108783 569181745 /nfs/dbraw/zinc/18/17/45/569181745.db2.gz FMPOSKBUOBMXAI-SFHVURJKSA-N -1 0 445.537 4.110 50 0 biogenic IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCC(=O)[O-])c(=O)oc3c2C)c1-c1ccccc1 ZINC000002118730 569182664 /nfs/dbraw/zinc/18/26/64/569182664.db2.gz DCVQBPAJVBMWEA-UHFFFAOYSA-N -1 0 433.460 4.265 50 0 biogenic IIAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006763 569184670 /nfs/dbraw/zinc/18/46/70/569184670.db2.gz YCZUQSYDSJETDR-UHFFFAOYSA-N -1 0 440.554 4.100 50 0 IIAARM CCn1cc2ccc(NC(=O)c3ccc(-n4nc(C)c(CCC(=O)[O-])c4C)cc3)cc2n1 ZINC000170671377 569194746 /nfs/dbraw/zinc/19/47/46/569194746.db2.gz UOLDVUPZXXKJMI-UHFFFAOYSA-N -1 0 431.496 4.128 50 0 IIAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NC1CCCC1 ZINC000002973889 569212949 /nfs/dbraw/zinc/21/29/49/569212949.db2.gz ZXWXMMQIDVYZIU-UHFFFAOYSA-N -1 0 438.391 4.067 50 0 IIAARM Cc1ccccc1-n1c(S[C@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002355614 569285782 /nfs/dbraw/zinc/28/57/82/569285782.db2.gz BQPIUDNWFGGBRQ-GFCCVEGCSA-N -1 0 430.551 4.172 50 0 IIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccc(F)cc4)c(Cl)c1=O)(C3)C2 ZINC000002363493 569287761 /nfs/dbraw/zinc/28/77/61/569287761.db2.gz DVLBBESTJWLSRY-BXBLUCELSA-N -1 0 431.895 4.028 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Cc1c(Cl)cccc1Cl)CC2 ZINC000012949127 569305023 /nfs/dbraw/zinc/30/50/23/569305023.db2.gz XCUGGJPETWUPBV-QGZVFWFLSA-N -1 0 438.307 4.154 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000013358292 569313713 /nfs/dbraw/zinc/31/37/13/569313713.db2.gz MIHAWSFJSWFFJP-UHFFFAOYSA-N -1 0 437.477 4.222 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1cccc(Oc3ccccc3)c1)N(C)C2=O ZINC000020104741 569334298 /nfs/dbraw/zinc/33/42/98/569334298.db2.gz LKELVPKRBWDCJZ-DHIUTWEWSA-N -1 0 433.460 4.491 50 0 IIAARM CCN1C(=O)c2cccc3c(S(=O)(=O)[N-]c4ccc5ccccc5c4)ccc(c32)C1=O ZINC000094993266 569355901 /nfs/dbraw/zinc/35/59/01/569355901.db2.gz WABXSGNTKPRODH-UHFFFAOYSA-N -1 0 430.485 4.410 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000020331424 569360930 /nfs/dbraw/zinc/36/09/30/569360930.db2.gz KDTGZBQKCQLEIE-RHSMWYFYSA-N -1 0 442.585 4.414 50 0 IIAARM CCOc1ccccc1OC1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000095424326 569365813 /nfs/dbraw/zinc/36/58/13/569365813.db2.gz LDEANQWMHKYZDV-MRXNPFEDSA-N -1 0 429.538 4.334 50 0 IIAARM CCCN(CCc1ccccn1)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000095436712 569366622 /nfs/dbraw/zinc/36/66/22/569366622.db2.gz SCINNPGCGQJWTH-UHFFFAOYSA-N -1 0 442.151 4.407 50 0 IIAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c2C)o1 ZINC000096379438 569398233 /nfs/dbraw/zinc/39/82/33/569398233.db2.gz ZMRZZWDSKXUMJQ-UHFFFAOYSA-N -1 0 439.335 4.116 50 0 IIAARM Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Br ZINC000002732581 569419514 /nfs/dbraw/zinc/41/95/14/569419514.db2.gz JHIJEEQXPHKEFL-UHFFFAOYSA-N -1 0 444.362 4.037 50 0 IIAARM O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925580 569425638 /nfs/dbraw/zinc/42/56/38/569425638.db2.gz RQEKKWGMDXMOJJ-UHFFFAOYSA-N -1 0 427.595 4.286 50 0 IIAARM Cc1cccc(OCC(=O)Nc2ccccc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000002960054 569432462 /nfs/dbraw/zinc/43/24/62/569432462.db2.gz YCGDGSODZDRWGV-UHFFFAOYSA-N -1 0 430.913 4.467 50 0 IIAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)C1 ZINC000003043905 569438603 /nfs/dbraw/zinc/43/86/03/569438603.db2.gz AAPNZGSYXPPZHU-AWEZNQCLSA-N -1 0 427.957 4.259 50 0 IIAARM COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000217610291 569450045 /nfs/dbraw/zinc/45/00/45/569450045.db2.gz JOBMFOFXRSGPSV-LJQANCHMSA-N -1 0 432.428 4.272 50 0 biogenic IIAARM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc(O)cc2)CC(=O)O4)cc1O ZINC000217671704 569451241 /nfs/dbraw/zinc/45/12/41/569451241.db2.gz DZZMCXMLGHKYLT-OAHLLOKOSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003631045 569455298 /nfs/dbraw/zinc/45/52/98/569455298.db2.gz VGNTXFZGHFCCPL-UHFFFAOYSA-N -1 0 449.963 4.359 50 0 IIAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694586 569470174 /nfs/dbraw/zinc/47/01/74/569470174.db2.gz OSFDMLXZXFHOSK-AVRDEDQJSA-N -1 0 444.318 4.178 50 0 IIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000040145211 569492088 /nfs/dbraw/zinc/49/20/88/569492088.db2.gz ZHGQJTVCTLAIQK-UHFFFAOYSA-N -1 0 428.517 4.260 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000009002287 569496083 /nfs/dbraw/zinc/49/60/83/569496083.db2.gz AEDBMFDESMTABO-UHFFFAOYSA-N -1 0 445.518 4.098 50 0 IIAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000040284679 569497931 /nfs/dbraw/zinc/49/79/31/569497931.db2.gz MKTUUKXLCKDMQT-SFHVURJKSA-N -1 0 446.385 4.186 50 0 IIAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Br)cc2)cc1 ZINC000040309078 569498639 /nfs/dbraw/zinc/49/86/39/569498639.db2.gz NWUBMHUCKNNHDZ-GOSISDBHSA-N -1 0 441.285 4.050 50 0 biogenic IIAARM O=C([O-])c1ccc(NN2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000009086600 569500670 /nfs/dbraw/zinc/50/06/70/569500670.db2.gz XCLRHJNPXYKTOV-UEQSERJNSA-N -1 0 438.483 4.450 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 ZINC000009130247 569505965 /nfs/dbraw/zinc/50/59/65/569505965.db2.gz RXCVRAXSUOIEKP-UHFFFAOYSA-N -1 0 444.940 4.122 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168194 569509097 /nfs/dbraw/zinc/50/90/97/569509097.db2.gz YVOXHGBBSFZFHA-UHFFFAOYSA-N -1 0 446.569 4.212 50 0 IIAARM C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@H]1C ZINC000009367466 569526474 /nfs/dbraw/zinc/52/64/74/569526474.db2.gz QFGQPFHUMGLFFZ-QWHCGFSZSA-N -1 0 429.523 4.081 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000009441933 569535456 /nfs/dbraw/zinc/53/54/56/569535456.db2.gz OKZCZLGRXUXWAX-UHFFFAOYSA-N -1 0 446.912 4.167 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000009529537 569544906 /nfs/dbraw/zinc/54/49/06/569544906.db2.gz WMMCMBNOEXMWCR-UHFFFAOYSA-N -1 0 438.553 4.170 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000009670719 569558379 /nfs/dbraw/zinc/55/83/79/569558379.db2.gz BWKYUMYGDGZEAH-HKUYNNGSSA-N -1 0 428.554 4.148 50 0 IIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)s2)c1C ZINC000009686706 569560746 /nfs/dbraw/zinc/56/07/46/569560746.db2.gz QOINGHBNSYKIBY-UHFFFAOYSA-N -1 0 430.324 4.457 50 0 IIAARM COc1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1OC ZINC000009973973 569576358 /nfs/dbraw/zinc/57/63/58/569576358.db2.gz XSOXDLPLIFILOE-UHFFFAOYSA-N -1 0 428.872 4.227 50 0 IIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008991782 132299723 /nfs/dbraw/zinc/29/97/23/132299723.db2.gz UOAULQWGAAESAG-UHFFFAOYSA-N -1 0 447.318 4.005 50 0 IIAARM O=C(c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCc2ccccc21 ZINC000009151979 132306856 /nfs/dbraw/zinc/30/68/56/132306856.db2.gz RNVWEDBLGNNVHM-UHFFFAOYSA-N -1 0 427.913 4.129 50 0 IIAARM CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(NC(=O)c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000012402621 520791111 /nfs/dbraw/zinc/79/11/11/520791111.db2.gz WNZPEYYQWOLOGI-YPHDTHBOSA-N -1 0 442.902 4.051 50 0 IIAARM CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112508 522168452 /nfs/dbraw/zinc/16/84/52/522168452.db2.gz XJBAXKOYWFFOOC-MRXNPFEDSA-N -1 0 443.594 4.225 50 0 IIAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854474 522534237 /nfs/dbraw/zinc/53/42/37/522534237.db2.gz JUZGWZGXQGRKLA-MRXNPFEDSA-N -1 0 440.400 4.093 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017096054 523715716 /nfs/dbraw/zinc/71/57/16/523715716.db2.gz GEIYOMMLXANXFA-ZWKOTPCHSA-N -1 0 428.554 4.378 50 0 IIAARM Cc1ccc(C2=Nn3c(COc4ccc(Cl)cc4)nnc3S[C@@H]2CC(=O)[O-])cc1 ZINC000012695469 524237670 /nfs/dbraw/zinc/23/76/70/524237670.db2.gz ZTNBHTUDQZLVJY-MRXNPFEDSA-N -1 0 428.901 4.020 50 0 IIAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000035397615 524327070 /nfs/dbraw/zinc/32/70/70/524327070.db2.gz WWXIDWNLCMTIBQ-UHFFFAOYSA-N -1 0 431.558 4.276 50 0 IIAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C[C@H](C)O1 ZINC000016689789 525058500 /nfs/dbraw/zinc/05/85/00/525058500.db2.gz VBUOBYPBOLJFIT-AHIWAGSCSA-N -1 0 428.489 4.094 50 0 IIAARM O=C([O-])c1ccc(CNC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000020718387 526366448 /nfs/dbraw/zinc/36/64/48/526366448.db2.gz OOMHKKCXIOWNIP-UHFFFAOYSA-N -1 0 436.411 4.266 50 0 IIAARM O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2nccc(C(F)(F)F)n2)cc1 ZINC000012507850 526405367 /nfs/dbraw/zinc/40/53/67/526405367.db2.gz WRDNGXCRYBAJHC-UHFFFAOYSA-N -1 0 442.463 4.205 50 0 IIAARM O=C(NCc1nc2ccccc2s1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000012755178 526824902 /nfs/dbraw/zinc/82/49/02/526824902.db2.gz SFFXVDGBDUZRFF-UHFFFAOYSA-N -1 0 429.548 4.089 50 0 IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1)C1CC1 ZINC000012585229 527234186 /nfs/dbraw/zinc/23/41/86/527234186.db2.gz CHMJZYOYJJGWCR-UHFFFAOYSA-N -1 0 429.723 4.252 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000012532633 527259023 /nfs/dbraw/zinc/25/90/23/527259023.db2.gz KEEXAECREABFAN-AWEZNQCLSA-N -1 0 436.459 4.209 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000000647606 555521610 /nfs/dbraw/zinc/52/16/10/555521610.db2.gz HEXHRPQEZCKXMF-GOSISDBHSA-N -1 0 431.286 4.000 50 0 IIAARM COc1ccc(Cc2nnc(NC(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC ZINC000000804712 555559587 /nfs/dbraw/zinc/55/95/87/555559587.db2.gz CDDVOFCOUPPJLG-UHFFFAOYSA-N -1 0 436.493 4.362 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)no1 ZINC000001027722 555604762 /nfs/dbraw/zinc/60/47/62/555604762.db2.gz VATCDPWUBWDUKT-UHFFFAOYSA-N -1 0 437.930 4.168 50 0 IIAARM O=C([O-])c1cccc(N[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000001052991 555613912 /nfs/dbraw/zinc/61/39/12/555613912.db2.gz KEWCXUVGESEIRB-HXUWFJFHSA-N -1 0 430.913 4.170 50 0 IIAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000001124219 555639562 /nfs/dbraw/zinc/63/95/62/555639562.db2.gz ZLLUXIWRTVGIFA-UHFFFAOYSA-N -1 0 428.941 4.254 50 0 IIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560726 555787618 /nfs/dbraw/zinc/78/76/18/555787618.db2.gz CYWWLVIEAOUXGW-FQEVSTJZSA-N -1 0 425.481 4.052 50 0 IIAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl ZINC000002817261 555829099 /nfs/dbraw/zinc/82/90/99/555829099.db2.gz XAUAKZZNQRPONI-PDGQHHTCSA-N -1 0 431.897 4.473 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000003864269 555949509 /nfs/dbraw/zinc/94/95/09/555949509.db2.gz RFCNSIJLGGXDMA-HZPDHXFCSA-N -1 0 431.510 4.430 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000004259043 555979731 /nfs/dbraw/zinc/97/97/31/555979731.db2.gz PECBRPNADQVJKH-UHFFFAOYSA-N -1 0 429.226 4.245 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1C ZINC000006023437 556072411 /nfs/dbraw/zinc/07/24/11/556072411.db2.gz CBKVTBJGJKCQQA-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000006161607 556078909 /nfs/dbraw/zinc/07/89/09/556078909.db2.gz YLVRQLPKTXYKCY-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)no1 ZINC000008723370 556204044 /nfs/dbraw/zinc/20/40/44/556204044.db2.gz RJWNOOKBHZSFDQ-INIZCTEOSA-N -1 0 443.525 4.313 50 0 IIAARM C[C@H](Oc1ccccc1)C(=O)Nc1cc(NC(=O)[C@H](C)Oc2ccccc2)cc(C(=O)[O-])c1 ZINC000009137010 556249287 /nfs/dbraw/zinc/24/92/87/556249287.db2.gz HYIGHJVCCGOPLL-IRXDYDNUSA-N -1 0 448.475 4.197 50 0 IIAARM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(NC(=O)[C@@H](C)Oc2ccccc2)cc(C(=O)[O-])c1 ZINC000009137003 556249294 /nfs/dbraw/zinc/24/92/94/556249294.db2.gz HYIGHJVCCGOPLL-IAGOWNOFSA-N -1 0 448.475 4.197 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1I ZINC000032754918 556324450 /nfs/dbraw/zinc/32/44/50/556324450.db2.gz GFKUFNKGKYKNPC-UHFFFAOYSA-N -1 0 425.650 4.193 50 0 IIAARM COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1 ZINC000010060174 556324472 /nfs/dbraw/zinc/32/44/72/556324472.db2.gz ZSKZKBZOVQNFNY-RUZDIDTESA-N -1 0 442.471 4.482 50 0 IIAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1-c1ccc(Br)cc1 ZINC000072273401 556451715 /nfs/dbraw/zinc/45/17/15/556451715.db2.gz LMEXVNKRZWQWKN-UHFFFAOYSA-N -1 0 438.322 4.406 50 0 IIAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000013137073 556484000 /nfs/dbraw/zinc/48/40/00/556484000.db2.gz HLSPTDWBJQDVGR-SFHVURJKSA-N -1 0 441.871 4.422 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(OC)cc3)[C@@H]2C(=O)[O-])cc1 ZINC000109794896 556580044 /nfs/dbraw/zinc/58/00/44/556580044.db2.gz KPCHLBZWEYWCDF-ULQDDVLXSA-N -1 0 429.519 4.133 50 0 IIAARM CCc1c(C)sc(NC(=O)/C=C/C(=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000017094785 556657871 /nfs/dbraw/zinc/65/78/71/556657871.db2.gz UDNGRVQPOSCIAO-BQYQJAHWSA-N -1 0 426.416 4.469 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017094952 556658087 /nfs/dbraw/zinc/65/80/87/556658087.db2.gz KFTQTTPLRJRESH-QZTJIDSGSA-N -1 0 426.538 4.154 50 0 IIAARM COc1ccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCCC3)cc1 ZINC000017096996 556660988 /nfs/dbraw/zinc/66/09/88/556660988.db2.gz QJXBZJJKBXHNMB-UHFFFAOYSA-N -1 0 430.526 4.471 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000017096998 556660990 /nfs/dbraw/zinc/66/09/90/556660990.db2.gz KUHQBCNOTVNTAD-GJZGRUSLSA-N -1 0 430.526 4.455 50 0 IIAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238882038 556681969 /nfs/dbraw/zinc/68/19/69/556681969.db2.gz BXLNVDYRMWRFQD-RBSFLKMASA-N -1 0 449.931 4.173 50 0 biogenic IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000097940892 556810601 /nfs/dbraw/zinc/81/06/01/556810601.db2.gz UGXJXORWMSSQSB-UHFFFAOYSA-N -1 0 442.541 4.022 50 0 IIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C)c2)c(OC)c1 ZINC000003348275 556813617 /nfs/dbraw/zinc/81/36/17/556813617.db2.gz RBPONTHJNIDSDU-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000019635355 556834804 /nfs/dbraw/zinc/83/48/04/556834804.db2.gz NKGKUQDTMVEERG-UHFFFAOYSA-N -1 0 442.324 4.056 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000019641842 556837830 /nfs/dbraw/zinc/83/78/30/556837830.db2.gz XPAPAWNMHPOEEQ-ZACQAIPSSA-N -1 0 444.597 4.495 50 0 IIAARM Cc1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 ZINC000033253915 556894257 /nfs/dbraw/zinc/89/42/57/556894257.db2.gz VMMHIFQPCNKOQC-UHFFFAOYSA-N -1 0 428.485 4.270 50 0 IIAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C5CC5)ccc4n3)CC2)c1C ZINC000033260829 556897580 /nfs/dbraw/zinc/89/75/80/556897580.db2.gz IDQKWVLYRGSDHY-UHFFFAOYSA-N -1 0 444.535 4.225 50 0 IIAARM CC[C@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000019799323 556917050 /nfs/dbraw/zinc/91/70/50/556917050.db2.gz UGXQYPUXOSRUBC-QFIPXVFZSA-N -1 0 426.490 4.340 50 0 IIAARM O=C(c1c[nH]c2ccccc12)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097139005 556991955 /nfs/dbraw/zinc/99/19/55/556991955.db2.gz DOJMYJWQPJDHIT-UHFFFAOYSA-N -1 0 443.894 4.023 50 0 IIAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2C)nnc1-c1cc2ccccc2o1 ZINC000010681895 557017734 /nfs/dbraw/zinc/01/77/34/557017734.db2.gz JAZIBGDKJNGQHZ-UHFFFAOYSA-N -1 0 436.493 4.449 50 0 IIAARM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000017178213 557037809 /nfs/dbraw/zinc/03/78/09/557037809.db2.gz VRSPLXKVWNKEGI-UHFFFAOYSA-N -1 0 428.460 4.359 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000049003389 557091140 /nfs/dbraw/zinc/09/11/40/557091140.db2.gz VUQJJJNFYKWVPQ-UHFFFAOYSA-N -1 0 442.541 4.293 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc(OC)c1O ZINC000049548290 557112428 /nfs/dbraw/zinc/11/24/28/557112428.db2.gz DMVUVZJRAUCJSE-AWEZNQCLSA-N -1 0 442.855 4.026 50 0 IIAARM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000634059 557123444 /nfs/dbraw/zinc/12/34/44/557123444.db2.gz VHJLSHWRIKASHX-UHFFFAOYSA-N -1 0 440.456 4.032 50 0 IIAARM CN(C)C(=O)[C@@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1)c1ccccc1 ZINC000024747034 557161402 /nfs/dbraw/zinc/16/14/02/557161402.db2.gz YVJSSOWSBQKJCT-FQEVSTJZSA-N -1 0 436.581 4.387 50 0 IIAARM Cc1c(Cl)cccc1-n1c(O)c2c(C(=O)c3ccccc3)nn(-c3ccccc3)c2c1O ZINC000100892237 557198653 /nfs/dbraw/zinc/19/86/53/557198653.db2.gz SDQDUDLLPQLWKJ-UNMCSNQZSA-N -1 0 443.890 4.266 50 0 IIAARM CC(C)CCCOC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098073364 557233625 /nfs/dbraw/zinc/23/36/25/557233625.db2.gz HCHNJPUBNRALPB-QFIPXVFZSA-N -1 0 439.508 4.348 50 0 IIAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101495509 557288977 /nfs/dbraw/zinc/28/89/77/557288977.db2.gz KGBNHWFETNABJX-HNNXBMFYSA-N -1 0 434.949 4.153 50 0 IIAARM CCS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(C)cc1)=N2 ZINC000101618462 557292393 /nfs/dbraw/zinc/29/23/93/557292393.db2.gz DHKVTXMMSVAVRY-SFHVURJKSA-N -1 0 429.933 4.058 50 0 IIAARM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccoc1 ZINC000032926371 557318176 /nfs/dbraw/zinc/31/81/76/557318176.db2.gz KDIUBBIPIGLFEG-UHFFFAOYSA-N -1 0 439.262 4.234 50 0 IIAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000033253916 557327588 /nfs/dbraw/zinc/32/75/88/557327588.db2.gz HJMBGFICGMZZOB-UHFFFAOYSA-N -1 0 432.448 4.100 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102478952 557328788 /nfs/dbraw/zinc/32/87/88/557328788.db2.gz JGMACGANYJAZRU-RBUKOAKNSA-N -1 0 435.871 4.105 50 0 IIAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479230 557329957 /nfs/dbraw/zinc/32/99/57/557329957.db2.gz OLSGGIOAFNVJOI-RTWAWAEBSA-N -1 0 429.480 4.267 50 0 IIAARM CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000011695900 557393498 /nfs/dbraw/zinc/39/34/98/557393498.db2.gz CLGRMSCWYLKAMY-MRXNPFEDSA-N -1 0 443.594 4.225 50 0 IIAARM Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002150132 562926021 /nfs/dbraw/zinc/92/60/21/562926021.db2.gz CKYCEFTUODMZKE-UHFFFAOYSA-N -1 0 430.840 4.388 50 0 biogenic IIAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002155369 562926086 /nfs/dbraw/zinc/92/60/86/562926086.db2.gz NZBFASZBZHVYLG-LJQANCHMSA-N -1 0 439.508 4.337 50 0 biogenic IIAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC000006075794 562946165 /nfs/dbraw/zinc/94/61/65/562946165.db2.gz SAIDHLAVEBPMAI-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM CCSc1nc2n(n1)[C@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000008607239 562957286 /nfs/dbraw/zinc/95/72/86/562957286.db2.gz BBMKIVDQNCXQQV-LJQANCHMSA-N -1 0 449.536 4.324 50 0 IIAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008619233 562959871 /nfs/dbraw/zinc/95/98/71/562959871.db2.gz XPIQKFLNXWGFJD-UHFFFAOYSA-N -1 0 436.411 4.064 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000015936994 563019110 /nfs/dbraw/zinc/01/91/10/563019110.db2.gz OCTAEBMTFXYRGK-CZUORRHYSA-N -1 0 428.558 4.024 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCCC(C)C)c3=O)c2c1 ZINC000015953261 563020386 /nfs/dbraw/zinc/02/03/86/563020386.db2.gz VCQWKEOJPSZDHG-UHFFFAOYSA-N -1 0 430.574 4.272 50 0 IIAARM COc1ccc(C(=O)Nc2cc(C)c([O-])c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 ZINC000003620693 568751951 /nfs/dbraw/zinc/75/19/51/568751951.db2.gz YCYNOMQIVPKMMQ-UHFFFAOYSA-N -1 0 441.505 4.111 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C[C@H](C)c2ccncc2)ccc1C ZINC000084190137 568796049 /nfs/dbraw/zinc/79/60/49/568796049.db2.gz AOTMWGAOCVBACV-KRWDZBQOSA-N -1 0 439.537 4.332 50 0 IIAARM COC(=O)C[C@H](c1cccc(O)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1O ZINC000085875140 568837969 /nfs/dbraw/zinc/83/79/69/568837969.db2.gz UDOMLLANWVXRMU-LJQANCHMSA-N -1 0 442.489 4.047 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000015797628 568839386 /nfs/dbraw/zinc/83/93/86/568839386.db2.gz MENJCGSJXFTRFS-UHFFFAOYSA-N -1 0 448.447 4.350 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC2CCCCC2)cc1 ZINC000016097385 568870337 /nfs/dbraw/zinc/87/03/37/568870337.db2.gz PGSSSTAHTYZEEG-UHFFFAOYSA-N -1 0 439.541 4.134 50 0 IIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000064557808 568932171 /nfs/dbraw/zinc/93/21/71/568932171.db2.gz LDBJWZPMBGXIIT-HXUWFJFHSA-N -1 0 439.464 4.166 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589451 568934853 /nfs/dbraw/zinc/93/48/53/568934853.db2.gz VPVMKOKEUYWEMT-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000064670131 568943601 /nfs/dbraw/zinc/94/36/01/568943601.db2.gz GCDMDFUATFRYJZ-UHFFFAOYSA-N -1 0 434.539 4.335 50 0 IIAARM CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2Cl)C1 ZINC000064820256 568967079 /nfs/dbraw/zinc/96/70/79/568967079.db2.gz NXNINPDTMUWSGM-OAHLLOKOSA-N -1 0 430.888 4.070 50 0 IIAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000064843381 568970387 /nfs/dbraw/zinc/97/03/87/568970387.db2.gz AHTFUHMPGNROFI-UHFFFAOYSA-N -1 0 439.537 4.387 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)s2)c(OC)c1 ZINC000064920670 568985500 /nfs/dbraw/zinc/98/55/00/568985500.db2.gz STZUBUBUNJSDMS-UHFFFAOYSA-N -1 0 435.527 4.274 50 0 IIAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)c(Br)c1 ZINC000065150364 569111077 /nfs/dbraw/zinc/11/10/77/569111077.db2.gz RCONAKXWPWOKFQ-UHFFFAOYSA-N -1 0 433.327 4.497 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000016848667 569164324 /nfs/dbraw/zinc/16/43/24/569164324.db2.gz XJGXIVLLWXMLPR-UHFFFAOYSA-N -1 0 435.958 4.477 50 0 IIAARM Cc1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)[n-]c(=O)c3sc2=S)cc1 ZINC000017052323 569172040 /nfs/dbraw/zinc/17/20/40/569172040.db2.gz FUQFPNAFTOJVNY-UHFFFAOYSA-N -1 0 446.623 4.354 50 0 IIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CC[C@H](C)C2 ZINC000017096058 569173160 /nfs/dbraw/zinc/17/31/60/569173160.db2.gz VSGQYJJJBFYKBC-LSDHHAIUSA-N -1 0 428.554 4.242 50 0 IIAARM CCSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002108784 569181697 /nfs/dbraw/zinc/18/16/97/569181697.db2.gz FMPOSKBUOBMXAI-GOSISDBHSA-N -1 0 445.537 4.110 50 0 biogenic IIAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018056122 569284506 /nfs/dbraw/zinc/28/45/06/569284506.db2.gz IUBITZYLXRRGMJ-VSKRKVRLSA-N -1 0 434.879 4.400 50 0 IIAARM C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000012656365 569304710 /nfs/dbraw/zinc/30/47/10/569304710.db2.gz KLRNMIUKAXHHFS-MQJFSQLGSA-N -1 0 432.557 4.192 50 0 biogenic IIAARM CC[C@@H](C)NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(OC)c1 ZINC000013349607 569313238 /nfs/dbraw/zinc/31/32/38/569313238.db2.gz QZKHVIGHUMGWBO-GFCCVEGCSA-N -1 0 434.543 4.026 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N4CCCCC4)c3=O)c2c1 ZINC000020329152 569360781 /nfs/dbraw/zinc/36/07/81/569360781.db2.gz DCMVUNPUFMQSSL-UHFFFAOYSA-N -1 0 428.558 4.122 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000020330371 569360809 /nfs/dbraw/zinc/36/08/09/569360809.db2.gz XPNKAJBXTMGDGL-GOSISDBHSA-N -1 0 448.548 4.133 50 0 IIAARM Cn1c2cc([N-]S(=O)(=O)c3cccs3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049220 569406663 /nfs/dbraw/zinc/40/66/63/569406663.db2.gz MWVUZYYTNRCMLY-UHFFFAOYSA-N -1 0 437.612 4.164 50 0 IIAARM COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C=C([O-])c2ccc(C)cc2)cc1OC ZINC000670417864 569409872 /nfs/dbraw/zinc/40/98/72/569409872.db2.gz ZIALSNPAEBGWBD-QFIPXVFZSA-N -1 0 445.515 4.195 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000003356763 569447640 /nfs/dbraw/zinc/44/76/40/569447640.db2.gz FYXSLIMWOHCJKV-UHFFFAOYSA-N -1 0 448.903 4.470 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000004061077 569458528 /nfs/dbraw/zinc/45/85/28/569458528.db2.gz APBCLCVESHCFRS-HXUWFJFHSA-N -1 0 431.529 4.219 50 0 biogenic IIAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Br)cc2C[C@H]1C ZINC000040450582 569506369 /nfs/dbraw/zinc/50/63/69/569506369.db2.gz ARLNIGUKAAXZPB-SNVBAGLBSA-N -1 0 443.750 4.201 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1C ZINC000040454576 569506504 /nfs/dbraw/zinc/50/65/04/569506504.db2.gz GAHCKQAYQZZLDL-UHFFFAOYSA-N -1 0 449.370 4.166 50 0 IIAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000009526177 569544455 /nfs/dbraw/zinc/54/44/55/569544455.db2.gz GFPRVBPDALOABG-UHFFFAOYSA-N -1 0 444.516 4.287 50 0 IIAARM O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(C[C@H]2CCCO2)c1)c1cc(Cl)ccc1[O-] ZINC000009645016 569556104 /nfs/dbraw/zinc/55/61/04/569556104.db2.gz AZTLCROGTDJPLC-MRXNPFEDSA-N -1 0 449.894 4.161 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CSCc2ccccc2)c1 ZINC000009957345 569574774 /nfs/dbraw/zinc/57/47/74/569574774.db2.gz QZBKNQHFDNEKKD-UHFFFAOYSA-N -1 0 442.562 4.368 50 0 IIAARM O=C([O-])c1ccnc(N2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 ZINC000328600094 569587921 /nfs/dbraw/zinc/58/79/21/569587921.db2.gz VONFEBBAFJQNDQ-UHFFFAOYSA-N -1 0 443.503 4.241 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000008602104 132286589 /nfs/dbraw/zinc/28/65/89/132286589.db2.gz IMFQNWCLAVIRNV-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM COc1ccc(Cc2c([O-])n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)c(OC)c1 ZINC000008690154 132290588 /nfs/dbraw/zinc/29/05/88/132290588.db2.gz YBKNAMXBDJQKEM-UHFFFAOYSA-N -1 0 430.460 4.063 50 0 IIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529555 132320609 /nfs/dbraw/zinc/32/06/09/132320609.db2.gz HUSRJJJEQXHWQT-UHFFFAOYSA-N -1 0 442.516 4.082 50 0 IIAARM CCOc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1OCC(=O)N(C)C ZINC000035684886 520616712 /nfs/dbraw/zinc/61/67/12/520616712.db2.gz AOPDWKHYLBRTSD-WJDWOHSUSA-N -1 0 440.521 4.177 50 0 IIAARM COc1cc(Br)c(/C=C\C(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000096765685 522021311 /nfs/dbraw/zinc/02/13/11/522021311.db2.gz AWQAMXPNKKIPIA-OJIASSBASA-N -1 0 435.270 4.214 50 0 IIAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854719 522537425 /nfs/dbraw/zinc/53/74/25/522537425.db2.gz WOAXIHAOGCFDOZ-QFIPXVFZSA-N -1 0 447.608 4.274 50 0 IIAARM CCc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854810 522537810 /nfs/dbraw/zinc/53/78/10/522537810.db2.gz AJWUSKQWFGXFGI-FQEVSTJZSA-N -1 0 437.544 4.110 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])CC1 ZINC000033078534 524564087 /nfs/dbraw/zinc/56/40/87/524564087.db2.gz XRWFMKZKWLHGPS-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000239412338 524724049 /nfs/dbraw/zinc/72/40/49/524724049.db2.gz SOLLDPBTSPAZCM-FVQBIDKESA-N -1 0 432.586 4.375 50 0 IIAARM Cc1ccccc1NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000021931732 525264491 /nfs/dbraw/zinc/26/44/91/525264491.db2.gz FUGJEAFCAUNBHL-UHFFFAOYSA-N -1 0 446.326 4.206 50 0 IIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(C)n1C ZINC000020989815 525573070 /nfs/dbraw/zinc/57/30/70/525573070.db2.gz PNTYMYUJAVIITM-UHFFFAOYSA-N -1 0 443.491 4.088 50 0 IIAARM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012894147 525614994 /nfs/dbraw/zinc/61/49/94/525614994.db2.gz QYKQOZIRHBALFU-QZTJIDSGSA-N -1 0 448.928 4.055 50 0 IIAARM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012894154 525615122 /nfs/dbraw/zinc/61/51/22/525615122.db2.gz QYKQOZIRHBALFU-ZWKOTPCHSA-N -1 0 448.928 4.055 50 0 IIAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000035397617 525784269 /nfs/dbraw/zinc/78/42/69/525784269.db2.gz GHNLTHPBQVAVBD-UHFFFAOYSA-N -1 0 437.949 4.313 50 0 IIAARM C[C@H](Sc1nnc(-c2cccs2)n1CCC(=O)[O-])C(=O)c1c[nH]c2ccccc21 ZINC000012771942 526010849 /nfs/dbraw/zinc/01/08/49/526010849.db2.gz BKGDUZRPJDQONY-LBPRGKRZSA-N -1 0 426.523 4.326 50 0 IIAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000012414339 526734280 /nfs/dbraw/zinc/73/42/80/526734280.db2.gz NLUPUBCBSWURFU-WOJBJXKFSA-N -1 0 449.898 4.414 50 0 IIAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000012781705 526980611 /nfs/dbraw/zinc/98/06/11/526980611.db2.gz GQBSPLIMZSUTOU-UHFFFAOYSA-N -1 0 429.723 4.030 50 0 IIAARM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1)[N-]OCc1ccccc1 ZINC000012774446 527030730 /nfs/dbraw/zinc/03/07/30/527030730.db2.gz XQAPVFSQZJQHSN-UHFFFAOYSA-N -1 0 443.575 4.194 50 0 IIAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627234 527205098 /nfs/dbraw/zinc/20/50/98/527205098.db2.gz CMWQAJQGESCECM-HXUWFJFHSA-N -1 0 437.544 4.164 50 0 IIAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627169 527205700 /nfs/dbraw/zinc/20/57/00/527205700.db2.gz HSXWXYCWHNWTTD-HXUWFJFHSA-N -1 0 437.544 4.164 50 0 IIAARM CCC(=O)NC([N-]c1sc2c(c1C(=O)OC)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000000721254 555550162 /nfs/dbraw/zinc/55/01/62/555550162.db2.gz MICJVFDFUHGVSP-UHFFFAOYSA-N -1 0 432.386 4.173 50 0 IIAARM Cc1cc(C)cc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000001033577 555607196 /nfs/dbraw/zinc/60/71/96/555607196.db2.gz UOMPUSFAIOFOLW-UHFFFAOYSA-N -1 0 425.514 4.155 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Br)s1 ZINC000001747063 555712059 /nfs/dbraw/zinc/71/20/59/555712059.db2.gz BXKGHVYNCZIINW-UHFFFAOYSA-N -1 0 444.357 4.020 50 0 IIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000002242472 555761490 /nfs/dbraw/zinc/76/14/90/555761490.db2.gz QRFSNDSXHHWVIA-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002271004 555764488 /nfs/dbraw/zinc/76/44/88/555764488.db2.gz AGIHOVZXIQKHDW-QGZVFWFLSA-N -1 0 434.336 4.369 50 0 IIAARM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nnc2-c2ccncc2)cc1 ZINC000002384490 555774654 /nfs/dbraw/zinc/77/46/54/555774654.db2.gz KREMXMHPRYAXLG-UHFFFAOYSA-N -1 0 445.504 4.067 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4)cs3)cc2)no1 ZINC000002860959 555844504 /nfs/dbraw/zinc/84/45/04/555844504.db2.gz NCNXQGSUYOJLTO-UHFFFAOYSA-N -1 0 428.495 4.357 50 0 IIAARM CCOc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003782818 555946585 /nfs/dbraw/zinc/94/65/85/555946585.db2.gz HTQMVQVXFRQIKW-UHFFFAOYSA-N -1 0 440.463 4.029 50 0 fda IIAARM CC[C@@H](c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc(Br)cn1 ZINC000002730602 556134249 /nfs/dbraw/zinc/13/42/49/556134249.db2.gz OCEVAZNXYRJCLW-HNNXBMFYSA-N -1 0 444.362 4.485 50 0 IIAARM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000008396023 556163313 /nfs/dbraw/zinc/16/33/13/556163313.db2.gz YVEXZWIEXXRZRO-JSJZUPIVSA-N -1 0 449.868 4.286 50 0 IIAARM COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000008618258 556193318 /nfs/dbraw/zinc/19/33/18/556193318.db2.gz BGGFSPWZTMVHBL-UHFFFAOYSA-N -1 0 433.342 4.247 50 0 IIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1)oc1ccccc12 ZINC000008706610 556201065 /nfs/dbraw/zinc/20/10/65/556201065.db2.gz VYXDHKVBQRRCPZ-UHFFFAOYSA-N -1 0 438.505 4.074 50 0 IIAARM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008723361 556204132 /nfs/dbraw/zinc/20/41/32/556204132.db2.gz LTYPNAISDXMFTK-KRWDZBQOSA-N -1 0 431.539 4.048 50 0 IIAARM COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)CCC(=O)[O-] ZINC000009368618 556285712 /nfs/dbraw/zinc/28/57/12/556285712.db2.gz WJPLXRUTKRWWBO-QGZVFWFLSA-N -1 0 431.286 4.000 50 0 IIAARM COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] ZINC000009804774 556308953 /nfs/dbraw/zinc/30/89/53/556308953.db2.gz RHLOLFNATCNKJE-SBUREZEXSA-N -1 0 436.489 4.462 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2ccccc2Br)ccc1I ZINC000010060535 556324672 /nfs/dbraw/zinc/32/46/72/556324672.db2.gz OLDOSPZCNGLFRM-UHFFFAOYSA-N -1 0 446.038 4.004 50 0 IIAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013004994 556434722 /nfs/dbraw/zinc/43/47/22/556434722.db2.gz SMHNVJFMBDWYJF-JKSUJKDBSA-N -1 0 448.928 4.055 50 0 IIAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl ZINC000032895571 556515142 /nfs/dbraw/zinc/51/51/42/556515142.db2.gz MCLYIHFWHVYIDK-UHFFFAOYSA-N -1 0 434.823 4.166 50 0 IIAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000013551873 556515271 /nfs/dbraw/zinc/51/52/71/556515271.db2.gz YTNADSUKBUYZHU-JPYJTQIMSA-N -1 0 431.448 4.039 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(OC)cc3)[C@@H]2C(=O)[O-])cc1 ZINC000109794891 556580080 /nfs/dbraw/zinc/58/00/80/556580080.db2.gz KPCHLBZWEYWCDF-IKGGRYGDSA-N -1 0 429.519 4.133 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(O)c(-n2nc3ccccc3n2)c1 ZINC000016267630 556595883 /nfs/dbraw/zinc/59/58/83/556595883.db2.gz RREJZSFKAJGDEV-UHFFFAOYSA-N -1 0 430.489 4.389 50 0 IIAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000016447486 556608053 /nfs/dbraw/zinc/60/80/53/556608053.db2.gz KNLMZJOKGVSRKA-UHFFFAOYSA-N -1 0 433.382 4.028 50 0 IIAARM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000097939582 556652320 /nfs/dbraw/zinc/65/23/20/556652320.db2.gz SAIHMYVPWARTBN-QFIPXVFZSA-N -1 0 447.608 4.274 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017094953 556658151 /nfs/dbraw/zinc/65/81/51/556658151.db2.gz KFTQTTPLRJRESH-ZWKOTPCHSA-N -1 0 426.538 4.154 50 0 IIAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)NCc3ccccc3)cc2c1 ZINC000011847547 556660541 /nfs/dbraw/zinc/66/05/41/556660541.db2.gz KPMLNINFQMKPBI-PNHLSOANSA-N -1 0 428.444 4.302 50 0 IIAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017098015 556662516 /nfs/dbraw/zinc/66/25/16/556662516.db2.gz PQHYNLWILRRVJG-ZDUSSCGKSA-N -1 0 432.542 4.225 50 0 IIAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238881994 556681846 /nfs/dbraw/zinc/68/18/46/556681846.db2.gz BRIRKFJSVSFJIQ-ZHALLVOQSA-N -1 0 449.503 4.235 50 0 biogenic IIAARM CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238899593 556681990 /nfs/dbraw/zinc/68/19/90/556681990.db2.gz GTDLOAQTYBOVIN-KZNAEPCWSA-N -1 0 443.540 4.219 50 0 biogenic IIAARM COC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4C)o3)C2=O)cc1 ZINC000000678133 556682107 /nfs/dbraw/zinc/68/21/07/556682107.db2.gz BMMVEZSEQWYQQE-PDGQHHTCSA-N -1 0 436.851 4.156 50 0 IIAARM Cc1cccc(C(=O)N2CCSCC2)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000058310381 556779870 /nfs/dbraw/zinc/77/98/70/556779870.db2.gz GSWHOGDOSLRJFE-UHFFFAOYSA-N -1 0 444.500 4.004 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002659526 556802908 /nfs/dbraw/zinc/80/29/08/556802908.db2.gz LFRMDTJVACLTLI-UHFFFAOYSA-N -1 0 430.913 4.331 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCC3)c1 ZINC000019636228 556835304 /nfs/dbraw/zinc/83/53/04/556835304.db2.gz ACOFFNWXKATAPN-CVEARBPZSA-N -1 0 442.537 4.327 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078536 556853446 /nfs/dbraw/zinc/85/34/46/556853446.db2.gz WXBPWEYWFYHKDB-UHFFFAOYSA-N -1 0 437.521 4.034 50 0 IIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033078659 556853789 /nfs/dbraw/zinc/85/37/89/556853789.db2.gz PYJXIZGMTXUBDE-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1 ZINC000033171040 556882137 /nfs/dbraw/zinc/88/21/37/556882137.db2.gz ZWECANKGOWTVLP-KAMYIIQDSA-N -1 0 441.509 4.311 50 0 IIAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000023126503 557008217 /nfs/dbraw/zinc/00/82/17/557008217.db2.gz NJYBOPFRBPPYLK-UHFFFAOYSA-N -1 0 445.518 4.430 50 0 IIAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023156898 557031966 /nfs/dbraw/zinc/03/19/66/557031966.db2.gz QBBIMTGZZXPUPY-HXUWFJFHSA-N -1 0 437.544 4.164 50 0 IIAARM Cc1nc2sc([C@@H](c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023158260 557032402 /nfs/dbraw/zinc/03/24/02/557032402.db2.gz VNAVKZPCFIEARQ-QGZVFWFLSA-N -1 0 446.001 4.431 50 0 IIAARM CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000017269728 557048472 /nfs/dbraw/zinc/04/84/72/557048472.db2.gz HDOMHTBCMDSUAF-UHFFFAOYSA-N -1 0 433.516 4.170 50 0 IIAARM O=C(NCc1cc(F)cc(F)c1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409624 557104683 /nfs/dbraw/zinc/10/46/83/557104683.db2.gz IPORXTOAZBOGRZ-UHFFFAOYSA-N -1 0 426.444 4.025 50 0 IIAARM CCCCCCNc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c(OC)c1 ZINC000086032120 557106402 /nfs/dbraw/zinc/10/64/02/557106402.db2.gz MRWCGEOYGFZZCJ-UHFFFAOYSA-N -1 0 426.560 4.336 50 0 IIAARM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(C)n1 ZINC000033324510 557106426 /nfs/dbraw/zinc/10/64/26/557106426.db2.gz DHFUGJMLXRNFTJ-UHFFFAOYSA-N -1 0 429.521 4.315 50 0 IIAARM Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000006166216 557116071 /nfs/dbraw/zinc/11/60/71/557116071.db2.gz ADAXLRYUIIEZRE-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000008417740 557169989 /nfs/dbraw/zinc/16/99/89/557169989.db2.gz BPZKSZAGZPYBTP-UHFFFAOYSA-N -1 0 429.064 4.171 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000024927949 557180343 /nfs/dbraw/zinc/18/03/43/557180343.db2.gz LEXQEOVLWKFZEU-UHFFFAOYSA-N -1 0 444.940 4.422 50 0 IIAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4C(F)(F)F)cc3)cn2n1 ZINC000011693577 557232434 /nfs/dbraw/zinc/23/24/34/557232434.db2.gz UCKCSEOYGSSJGS-UHFFFAOYSA-N -1 0 448.426 4.225 50 0 IIAARM CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101200970 557263261 /nfs/dbraw/zinc/26/32/61/557263261.db2.gz HQSPYXVGXOZEBV-ZRBLBEILSA-N -1 0 432.451 4.276 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101618427 557292501 /nfs/dbraw/zinc/29/25/01/557292501.db2.gz UCYBEEWBHGMVBT-INIZCTEOSA-N -1 0 436.324 4.012 50 0 IIAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c([O-])c3cccnc32)cc1 ZINC000101723390 557295103 /nfs/dbraw/zinc/29/51/03/557295103.db2.gz JMOWXUDVSNHWDI-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000101836624 557303264 /nfs/dbraw/zinc/30/32/64/557303264.db2.gz ZIVYGZXUADSAST-QGZVFWFLSA-N -1 0 429.263 4.426 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000102479009 557323981 /nfs/dbraw/zinc/32/39/81/557323981.db2.gz FARSVUZCPSEHSA-SFTDATJTSA-N -1 0 429.480 4.069 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2[C@@H](c2ccc(F)cc2F)C1 ZINC000102901453 557411689 /nfs/dbraw/zinc/41/16/89/557411689.db2.gz GEYIGAJCLNHGPM-QGZVFWFLSA-N -1 0 430.798 4.050 50 0 IIAARM COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000008686723 562962863 /nfs/dbraw/zinc/96/28/63/562962863.db2.gz UMHOUQLBHSXMRF-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 aggregator IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)c(F)c1 ZINC000009828533 562977249 /nfs/dbraw/zinc/97/72/49/562977249.db2.gz SMMGESYDCRSFMN-UHFFFAOYSA-N -1 0 443.884 4.057 50 0 IIAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1cccc(C(F)(F)F)c1 ZINC000012541579 568743903 /nfs/dbraw/zinc/74/39/03/568743903.db2.gz GNIFENWWOLFUTD-UHFFFAOYSA-N -1 0 436.459 4.491 50 0 IIAARM CCOC(=O)c1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[O-])cc1 ZINC000001508448 568835529 /nfs/dbraw/zinc/83/55/29/568835529.db2.gz GEDCRFYVPMGHKK-STTLMXHVSA-N -1 0 441.483 4.410 50 0 IIAARM COC(=O)c1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000015911132 568858518 /nfs/dbraw/zinc/85/85/18/568858518.db2.gz KQWFAUQNNUWMHI-UHFFFAOYSA-N -1 0 448.504 4.269 50 0 IIAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1C[C@H](C)CC2 ZINC000015799692 568872325 /nfs/dbraw/zinc/87/23/25/568872325.db2.gz WMEVKHIFKJNYTR-KGYLQXTDSA-N -1 0 425.934 4.222 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245240526 568913249 /nfs/dbraw/zinc/91/32/49/568913249.db2.gz ZDTSWYWUPWCDBR-NJYVYQBISA-N -1 0 448.862 4.089 50 0 IIAARM C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000253527855 568920204 /nfs/dbraw/zinc/92/02/04/568920204.db2.gz KLRNMIUKAXHHFS-CQAZSPEPSA-N -1 0 432.557 4.192 50 0 IIAARM COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000089420205 568924501 /nfs/dbraw/zinc/92/45/01/568924501.db2.gz SJCNUVWOFSHMRR-UHFFFAOYSA-N -1 0 425.812 4.065 50 0 IIAARM COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000000716662 568924666 /nfs/dbraw/zinc/92/46/66/568924666.db2.gz SVSLGDPKEWSYGI-DEOSSOPVSA-N -1 0 433.460 4.089 50 0 biogenic IIAARM CCCCN1C(=O)NC(=Cc2c(Cc3ccc(F)cc3)[n-]n(-c3ccccc3C)c2=O)C1=O ZINC000035829517 568928075 /nfs/dbraw/zinc/92/80/75/568928075.db2.gz XJAYRLRVGLOUJB-QNGOZBTKSA-N -1 0 448.498 4.309 50 0 IIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064557824 568932070 /nfs/dbraw/zinc/93/20/70/568932070.db2.gz AGJZKAROZCEFNU-NRFANRHFSA-N -1 0 435.501 4.335 50 0 IIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)CC2)c1 ZINC000064589518 568934630 /nfs/dbraw/zinc/93/46/30/568934630.db2.gz RRXNWSZRMGKVFM-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OCC)CC2)cc1C(=O)[O-] ZINC000064589751 568934999 /nfs/dbraw/zinc/93/49/99/568934999.db2.gz RTEOCHZNGXKJDX-UHFFFAOYSA-N -1 0 425.529 4.239 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000064820453 568967258 /nfs/dbraw/zinc/96/72/58/568967258.db2.gz ZUVWMFXPHQDRJW-UHFFFAOYSA-N -1 0 438.503 4.196 50 0 IIAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000064843201 568970980 /nfs/dbraw/zinc/97/09/80/568970980.db2.gz GIDXXVLILPJWML-UHFFFAOYSA-N -1 0 439.537 4.224 50 0 IIAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccn3)c2oc1C(=O)N1CCCCC1 ZINC000065010717 569088324 /nfs/dbraw/zinc/08/83/24/569088324.db2.gz INHDUYJTYBNWOR-UHFFFAOYSA-N -1 0 427.526 4.180 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000065060229 569095799 /nfs/dbraw/zinc/09/57/99/569095799.db2.gz GQYDCMBSFPPXJR-UHFFFAOYSA-N -1 0 434.539 4.335 50 0 IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC(C(=O)[O-])CC4)c(=O)oc3c2C)c1C ZINC000002101577 569179806 /nfs/dbraw/zinc/17/98/06/569179806.db2.gz IGKOXMPOVIXTDP-UHFFFAOYSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000253499592 569283454 /nfs/dbraw/zinc/28/34/54/569283454.db2.gz KLRNMIUKAXHHFS-IHXHTVTRSA-N -1 0 432.557 4.192 50 0 biogenic IIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1cccc2nsnc21 ZINC000002409094 569300499 /nfs/dbraw/zinc/30/04/99/569300499.db2.gz XBDFXXUAJOFQLE-UHFFFAOYSA-N -1 0 448.533 4.047 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCCC1)c1cccc2nsnc21 ZINC000002416520 569301485 /nfs/dbraw/zinc/30/14/85/569301485.db2.gz YUQDNVRUGCFRFD-UHFFFAOYSA-N -1 0 440.554 4.180 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000013041638 569308160 /nfs/dbraw/zinc/30/81/60/569308160.db2.gz HNKBLUSEWASVJD-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)cc2F)n1 ZINC000328594233 569317648 /nfs/dbraw/zinc/31/76/48/569317648.db2.gz COHPKIAOALTILI-UHFFFAOYSA-N -1 0 430.486 4.369 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020330559 569360831 /nfs/dbraw/zinc/36/08/31/569360831.db2.gz DVBCYDGDKCRHIT-GRDNDAEWSA-N -1 0 442.585 4.270 50 0 IIAARM Cc1oc(CN(C)C(=O)CSc2nccn2-c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000095463910 569370396 /nfs/dbraw/zinc/37/03/96/569370396.db2.gz BERZKJCEDUROTK-UHFFFAOYSA-N -1 0 433.917 4.184 50 0 IIAARM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1Cl ZINC000096011299 569379812 /nfs/dbraw/zinc/37/98/12/569379812.db2.gz YKKHWELGPQBKHD-UHFFFAOYSA-N -1 0 442.722 4.302 50 0 IIAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3ncn(-c4ccc(Br)cc4)c32)cc1 ZINC000096117567 569384150 /nfs/dbraw/zinc/38/41/50/569384150.db2.gz ADNUHYAGVZCDDF-QGZVFWFLSA-N -1 0 444.310 4.108 50 0 IIAARM CCCCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000096361111 569397664 /nfs/dbraw/zinc/39/76/64/569397664.db2.gz NGURONZCIUZETD-UHFFFAOYSA-N -1 0 426.542 4.422 50 0 IIAARM C[C@@H](c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc(Br)cn1 ZINC000002730833 569419196 /nfs/dbraw/zinc/41/91/96/569419196.db2.gz IQKYEEJEANMWSF-LBPRGKRZSA-N -1 0 430.335 4.095 50 0 IIAARM CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000002920050 569425409 /nfs/dbraw/zinc/42/54/09/569425409.db2.gz OMBKAJVJUZOTKL-UHFFFAOYSA-N -1 0 444.372 4.329 50 0 IIAARM COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000030012845 569440305 /nfs/dbraw/zinc/44/03/05/569440305.db2.gz BRYDNTGQRFUDEK-KRWDZBQOSA-N -1 0 436.533 4.396 50 0 IIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCO[C@@H](c2ccccc2)C1 ZINC000030646545 569445597 /nfs/dbraw/zinc/44/55/97/569445597.db2.gz CFWOMEWWWWRGBP-OAQYLSRUSA-N -1 0 437.565 4.220 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2Cl)ccc1C ZINC000003495808 569452695 /nfs/dbraw/zinc/45/26/95/569452695.db2.gz XWACLMVIMYGMQE-UHFFFAOYSA-N -1 0 444.940 4.388 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCCCCCC(=O)[O-])cc2oc1=O ZINC000004041684 569458384 /nfs/dbraw/zinc/45/83/84/569458384.db2.gz YCDHUGRSGIICFZ-UHFFFAOYSA-N -1 0 431.529 4.364 50 0 biogenic IIAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000032095581 569459839 /nfs/dbraw/zinc/45/98/39/569459839.db2.gz HOBWIDXOHSSCHB-INIZCTEOSA-N -1 0 435.332 4.472 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Nc2ccccc2OC)c1 ZINC000008965497 569491488 /nfs/dbraw/zinc/49/14/88/569491488.db2.gz ZELWYQLKYRQWPF-UHFFFAOYSA-N -1 0 427.482 4.149 50 0 IIAARM CO[C@@](c1ccccc1)(c1ccc(C(F)(F)F)cc1)[C@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000008993736 569495460 /nfs/dbraw/zinc/49/54/60/569495460.db2.gz ULOQCXMGMFANAC-NQIIRXRSSA-N -1 0 432.398 4.226 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000009002267 569496069 /nfs/dbraw/zinc/49/60/69/569496069.db2.gz YRKNPEZRRQAWRL-UHFFFAOYSA-N -1 0 447.534 4.328 50 0 IIAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2OC(F)(F)F)c1 ZINC000040267274 569497376 /nfs/dbraw/zinc/49/73/76/569497376.db2.gz XGLAWFHWQZMCNP-SFHVURJKSA-N -1 0 446.385 4.186 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc(OC)c1O ZINC000040287483 569498191 /nfs/dbraw/zinc/49/81/91/569498191.db2.gz ZKMQSXFVMOPVFZ-CQSZACIVSA-N -1 0 426.400 4.161 50 0 IIAARM COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000009119971 569503693 /nfs/dbraw/zinc/50/36/93/569503693.db2.gz CQPUYFLGFHZXCA-UHFFFAOYSA-N -1 0 447.563 4.268 50 0 IIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450422 569506353 /nfs/dbraw/zinc/50/63/53/569506353.db2.gz QQPWQFUCEDSMOT-UHFFFAOYSA-N -1 0 449.370 4.111 50 0 IIAARM COc1cccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2Cl)c1 ZINC000009443596 569535719 /nfs/dbraw/zinc/53/57/19/569535719.db2.gz IHVJKNVBXJAIIS-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM Cc1ccc(Nc2nnc(SCC(=O)NCc3ccc(C(=O)[O-])cc3)s2)c(C)c1 ZINC000009508290 569542282 /nfs/dbraw/zinc/54/22/82/569542282.db2.gz FHCILWCJTPVWAZ-UHFFFAOYSA-N -1 0 428.539 4.005 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2)c1ccccc1 ZINC000009546073 569546183 /nfs/dbraw/zinc/54/61/83/569546183.db2.gz UXZRMAVWADYBIJ-LEWJYISDSA-N -1 0 449.511 4.364 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1OC ZINC000009579596 569548499 /nfs/dbraw/zinc/54/84/99/569548499.db2.gz YENGRCXLFFXMFF-GOSISDBHSA-N -1 0 430.888 4.290 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c2)on1 ZINC000009637707 569554857 /nfs/dbraw/zinc/55/48/57/569554857.db2.gz DYOJCJNVRVRZFX-UHFFFAOYSA-N -1 0 444.509 4.253 50 0 IIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000009645783 569556139 /nfs/dbraw/zinc/55/61/39/569556139.db2.gz FKIWKFRYRMIRFQ-UHFFFAOYSA-N -1 0 433.507 4.020 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000009670717 569558388 /nfs/dbraw/zinc/55/83/88/569558388.db2.gz BWKYUMYGDGZEAH-PKOBYXMFSA-N -1 0 428.554 4.148 50 0 IIAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009708790 569561979 /nfs/dbraw/zinc/56/19/79/569561979.db2.gz UPPANMCSPQIUAN-UHFFFAOYSA-N -1 0 449.863 4.201 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009713048 569562430 /nfs/dbraw/zinc/56/24/30/569562430.db2.gz UHZGLVJTMTZCQU-UHFFFAOYSA-N -1 0 436.898 4.183 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)n1 ZINC000010381910 569581780 /nfs/dbraw/zinc/58/17/80/569581780.db2.gz ATALBVNZFXZPRC-UHFFFAOYSA-N -1 0 436.537 4.025 50 0 IIAARM O=S(=O)([N-]c1noc(-c2ccc(Cl)cc2)n1)c1c(Cl)cccc1Br ZINC000408518367 569584150 /nfs/dbraw/zinc/58/41/50/569584150.db2.gz DHOHJEAAVSCCIR-UHFFFAOYSA-N -1 0 449.113 4.607 50 0 IIAARM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccc(OC(F)(F)F)cc1 ZINC000077101359 569585601 /nfs/dbraw/zinc/58/56/01/569585601.db2.gz SDWYBSLHZPORAD-UHFFFAOYSA-N -1 0 429.351 4.107 50 0 IIAARM COc1ccc(C2=CSC(=S)[N-]N2C(=O)Cc2ccc(Br)cc2)cc1 ZINC000000639507 193867127 /nfs/dbraw/zinc/86/71/27/193867127.db2.gz MKSUBWHGCMXACU-UHFFFAOYSA-N -1 0 435.368 4.364 50 0 IIAARM O=C(NCc1ccncc1)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000006259812 193894344 /nfs/dbraw/zinc/89/43/44/193894344.db2.gz FXWMBVWPDCYOCB-UHFFFAOYSA-N -1 0 442.349 4.181 50 0 IIAARM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C(=O)[O-])c2)cc1 ZINC000002987258 132260267 /nfs/dbraw/zinc/26/02/67/132260267.db2.gz WLUXZVBXTFFNLB-XMMPIXPASA-N -1 0 433.460 4.089 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000008602108 132286600 /nfs/dbraw/zinc/28/66/00/132286600.db2.gz CACOLBYLGRYNBG-UHFFFAOYSA-N -1 0 425.485 4.164 50 0 IIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cc(F)ccc1F ZINC000009529559 132320613 /nfs/dbraw/zinc/32/06/13/132320613.db2.gz GUSNSIZUMFGPGZ-UHFFFAOYSA-N -1 0 430.480 4.213 50 0 IIAARM CC(C)(C)C(=O)COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000012548446 518556250 /nfs/dbraw/zinc/55/62/50/518556250.db2.gz CEUSPKQBRKCLSR-UHFFFAOYSA-N -1 0 431.535 4.474 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)c1 ZINC000012415326 521171852 /nfs/dbraw/zinc/17/18/52/521171852.db2.gz QQYYDSMJFOGPSY-UHFFFAOYSA-N -1 0 435.523 4.286 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)on1 ZINC000020994771 521425692 /nfs/dbraw/zinc/42/56/92/521425692.db2.gz GHRHEPONDNBQQC-UHFFFAOYSA-N -1 0 446.428 4.399 50 0 IIAARM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854547 522537355 /nfs/dbraw/zinc/53/73/55/522537355.db2.gz OUTJJIKIBXTJHS-NRFANRHFSA-N -1 0 433.581 4.279 50 0 IIAARM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854549 522537514 /nfs/dbraw/zinc/53/75/14/522537514.db2.gz OUTJJIKIBXTJHS-OAQYLSRUSA-N -1 0 433.581 4.279 50 0 IIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2[n-]c1=S ZINC000012592655 523496291 /nfs/dbraw/zinc/49/62/91/523496291.db2.gz CLDVBKPJOWOYPV-UHFFFAOYSA-N -1 0 433.917 4.010 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H]2C)ccc1N1CCCCC1 ZINC000012536048 524640908 /nfs/dbraw/zinc/64/09/08/524640908.db2.gz YZJUKWVZMNPALU-WMZOPIPTSA-N -1 0 443.569 4.081 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c(OC)c1 ZINC000035557329 524687242 /nfs/dbraw/zinc/68/72/42/524687242.db2.gz WTOIKDPEKDMOHJ-UHFFFAOYSA-N -1 0 435.527 4.274 50 0 IIAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000012782721 524876227 /nfs/dbraw/zinc/87/62/27/524876227.db2.gz MVYWFBXCZJGMRX-BETUJISGSA-N -1 0 443.352 4.044 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)s1 ZINC000012237570 525613209 /nfs/dbraw/zinc/61/32/09/525613209.db2.gz LTUUJHLAWKDAGT-UHFFFAOYSA-N -1 0 448.533 4.024 50 0 IIAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1 ZINC000020739087 526308186 /nfs/dbraw/zinc/30/81/86/526308186.db2.gz SKJSKDSSYDNNOK-QGZVFWFLSA-N -1 0 431.311 4.057 50 0 IIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020718676 526315817 /nfs/dbraw/zinc/31/58/17/526315817.db2.gz ZIIVVDVYZLZXOF-SFHVURJKSA-N -1 0 438.837 4.183 50 0 IIAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000015733699 526740382 /nfs/dbraw/zinc/74/03/82/526740382.db2.gz OLSGGIOAFNVJOI-NHCUHLMSSA-N -1 0 429.480 4.267 50 0 IIAARM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(C)c1Cl ZINC000000790952 555557093 /nfs/dbraw/zinc/55/70/93/555557093.db2.gz JFKLGBAFFAIBRD-UHFFFAOYSA-N -1 0 445.928 4.170 50 0 IIAARM CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000808269 555560331 /nfs/dbraw/zinc/56/03/31/555560331.db2.gz PFWXGYLHFWNDIN-UHFFFAOYSA-N -1 0 431.539 4.085 50 0 IIAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1I ZINC000000828201 555565787 /nfs/dbraw/zinc/56/57/87/555565787.db2.gz XGYSGLLEFCOPHM-GFCCVEGCSA-N -1 0 443.668 4.217 50 0 IIAARM CC(=O)Oc1cccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)c1 ZINC000000838269 555567413 /nfs/dbraw/zinc/56/74/13/555567413.db2.gz GBKZGTIBIGVEPO-UHFFFAOYSA-N -1 0 429.064 4.095 50 0 IIAARM Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000000908229 555582168 /nfs/dbraw/zinc/58/21/68/555582168.db2.gz MOSQBSXPAABGBU-UHFFFAOYSA-N -1 0 436.493 4.201 50 0 IIAARM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000000968277 555590850 /nfs/dbraw/zinc/59/08/50/555590850.db2.gz GXPHKUHSUJUWKP-CYFREDJKSA-N -1 0 441.549 4.374 50 0 world IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](OC)c2ccccc2)cc1 ZINC000001151235 555656444 /nfs/dbraw/zinc/65/64/44/555656444.db2.gz UCWBLAVHQIKRPE-JOCHJYFZSA-N -1 0 440.521 4.131 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(C)n1 ZINC000001214849 555683676 /nfs/dbraw/zinc/68/36/76/555683676.db2.gz SJURAENRCFRABK-UHFFFAOYSA-N -1 0 438.553 4.444 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3cccc(C)c3C)cc2)no1 ZINC000001786431 555715325 /nfs/dbraw/zinc/71/53/25/555715325.db2.gz TWEUIQDILIECQP-UHFFFAOYSA-N -1 0 443.525 4.198 50 0 IIAARM O=C([O-])[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002564718 555787966 /nfs/dbraw/zinc/78/79/66/555787966.db2.gz OQGAELAJEGGNKG-HSZRJFAPSA-N -1 0 445.471 4.112 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)n1 ZINC000002729134 555803386 /nfs/dbraw/zinc/80/33/86/555803386.db2.gz JNZTWHLULHFVKJ-AWNIVKPZSA-N -1 0 436.537 4.361 50 0 IIAARM CC(C)CCNC(=O)CCc1nnc(-c2ccc(OCc3ccccc3F)cc2)[n-]c1=O ZINC000034763011 555904702 /nfs/dbraw/zinc/90/47/02/555904702.db2.gz MIVIQGIIHXELPZ-UHFFFAOYSA-N -1 0 438.503 4.057 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000008670619 556198258 /nfs/dbraw/zinc/19/82/58/556198258.db2.gz ZWSUKRINKZQIKI-UHFFFAOYSA-N -1 0 429.226 4.245 50 0 aggregator IIAARM Cc1ccc(CNC(=O)CSc2nnc(-c3cc(Cl)sc3Cl)c(=O)[n-]2)cc1 ZINC000032778460 556351427 /nfs/dbraw/zinc/35/14/27/556351427.db2.gz DFBBVLANINSJHC-UHFFFAOYSA-N -1 0 441.365 4.329 50 0 IIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000030011826 556488950 /nfs/dbraw/zinc/48/89/50/556488950.db2.gz OIWFMMLHSOESIC-INIZCTEOSA-N -1 0 434.517 4.281 50 0 IIAARM Cc1occc1-c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1Cc1ccccc1 ZINC000013344642 556502771 /nfs/dbraw/zinc/50/27/71/556502771.db2.gz SVRDFEUTAOBMTL-UHFFFAOYSA-N -1 0 448.504 4.324 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(-c3nn(C)cc3Br)c2)[C@H](C(=O)[O-])C1 ZINC000013465228 556506774 /nfs/dbraw/zinc/50/67/74/556506774.db2.gz PLPPVWULDLFIDT-JKSUJKDBSA-N -1 0 432.318 4.235 50 0 IIAARM O=C(NCC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274772 556559124 /nfs/dbraw/zinc/55/91/24/556559124.db2.gz MPZWLYXBUUOPLD-UHFFFAOYSA-N -1 0 430.545 4.355 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CSc2ccccc2)c1 ZINC000034799625 556582584 /nfs/dbraw/zinc/58/25/84/556582584.db2.gz DFGRQBTWJWZNKY-UHFFFAOYSA-N -1 0 428.535 4.227 50 0 IIAARM CCCCC(=O)N[C@@]([N-]c1nc2ccc(Cl)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000016957016 556650671 /nfs/dbraw/zinc/65/06/71/556650671.db2.gz IAECHJCHVDJWEA-MRXNPFEDSA-N -1 0 437.871 4.490 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)cc1 ZINC000100700505 556653647 /nfs/dbraw/zinc/65/36/47/556653647.db2.gz ZQFGLDHDDDFFBE-VQTJNVASSA-N -1 0 449.898 4.359 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017097096 556661120 /nfs/dbraw/zinc/66/11/20/556661120.db2.gz DMPXRHLEUQSPJJ-KBMXLJTQSA-N -1 0 430.570 4.151 50 0 IIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017102399 556666714 /nfs/dbraw/zinc/66/67/14/556666714.db2.gz FHJZVGCDWRDORB-BURPLHJFSA-N -1 0 438.549 4.383 50 0 IIAARM Cc1c(OCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000238899587 556681965 /nfs/dbraw/zinc/68/19/65/556681965.db2.gz GSYNRNQTBJWZIV-UAPYVXQJSA-N -1 0 449.503 4.154 50 0 biogenic IIAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12 ZINC000238937391 556682146 /nfs/dbraw/zinc/68/21/46/556682146.db2.gz VAXQAZBOHNLPNM-KZNAEPCWSA-N -1 0 443.540 4.219 50 0 biogenic IIAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000000842306 556689650 /nfs/dbraw/zinc/68/96/50/556689650.db2.gz LWSFGNYKXYVXBI-DEDYPNTBSA-N -1 0 434.879 4.389 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc(OC)c1O ZINC000061719752 556726656 /nfs/dbraw/zinc/72/66/56/556726656.db2.gz YXSMNBRJSHNTEG-GFCCVEGCSA-N -1 0 442.855 4.026 50 0 IIAARM O=C(c1ccc(CSc2nc([O-])cc(=O)n2-c2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000058218380 556773159 /nfs/dbraw/zinc/77/31/59/556773159.db2.gz ICIKHVJLKHKGQC-UHFFFAOYSA-N -1 0 441.940 4.120 50 0 IIAARM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000058328137 556780968 /nfs/dbraw/zinc/78/09/68/556780968.db2.gz IATXYAOVDCZFKB-FPOVZHCZSA-N -1 0 442.562 4.199 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCC3)cc1 ZINC000019632092 556832901 /nfs/dbraw/zinc/83/29/01/556832901.db2.gz IZXOFHOHHWROPP-IRXDYDNUSA-N -1 0 440.565 4.305 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 ZINC000019636198 556835019 /nfs/dbraw/zinc/83/50/19/556835019.db2.gz SVIOLVAZNDIQBZ-HOTGVXAUSA-N -1 0 442.537 4.146 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 ZINC000019636202 556835133 /nfs/dbraw/zinc/83/51/33/556835133.db2.gz SVIOLVAZNDIQBZ-HZPDHXFCSA-N -1 0 442.537 4.146 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)[C@H](C(=O)[O-])C1 ZINC000019636299 556835339 /nfs/dbraw/zinc/83/53/39/556835339.db2.gz DJLWLETXZADIIA-DLBZAZTESA-N -1 0 442.537 4.146 50 0 IIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000019641704 556837753 /nfs/dbraw/zinc/83/77/53/556837753.db2.gz NKEOQCWUXVQESO-BURPLHJFSA-N -1 0 444.597 4.329 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccccc1Cl ZINC000096602098 556837799 /nfs/dbraw/zinc/83/77/99/556837799.db2.gz RTMIYNOFGBEMPY-UHFFFAOYSA-N -1 0 438.896 4.336 50 0 IIAARM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008778898 556846346 /nfs/dbraw/zinc/84/63/46/556846346.db2.gz KSUBJTNDOODMPF-UHFFFAOYSA-N -1 0 439.518 4.358 50 0 IIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000033253363 556893698 /nfs/dbraw/zinc/89/36/98/556893698.db2.gz MDRBYLNIXMPXSO-UHFFFAOYSA-N -1 0 426.922 4.084 50 0 IIAARM Cc1ccc(-n2c3nc(SCC(=O)N4CCCC[C@@H]4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948614 557056697 /nfs/dbraw/zinc/05/66/97/557056697.db2.gz RRUMNNQRZDMOJC-ZDUSSCGKSA-N -1 0 446.623 4.306 50 0 IIAARM COc1ccc(CCc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000033276469 557056730 /nfs/dbraw/zinc/05/67/30/557056730.db2.gz ZYODFQXGWWWPAJ-UHFFFAOYSA-N -1 0 441.534 4.393 50 0 IIAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)Nc1ccccc1 ZINC000032948546 557059270 /nfs/dbraw/zinc/05/92/70/557059270.db2.gz AGHXKAOEDCCDPI-UHFFFAOYSA-N -1 0 426.548 4.236 50 0 IIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cc1 ZINC000060738756 557110659 /nfs/dbraw/zinc/11/06/59/557110659.db2.gz PENNZYYZRKGRRP-UHFFFAOYSA-N -1 0 439.468 4.187 50 0 IIAARM COc1ccc(NC(=O)Cc2ccccc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024979897 557185261 /nfs/dbraw/zinc/18/52/61/557185261.db2.gz XNIVRVIFJJQVNW-UHFFFAOYSA-N -1 0 428.485 4.125 50 0 IIAARM O=S(=O)([N-]c1ncc(Cc2ccccc2Cl)s1)c1ccc2c(c1)OCCCO2 ZINC000072301289 557225835 /nfs/dbraw/zinc/22/58/35/557225835.db2.gz DMOAFYFLTZXRTJ-UHFFFAOYSA-N -1 0 436.942 4.349 50 0 IIAARM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)cc1OC ZINC000026537081 557243857 /nfs/dbraw/zinc/24/38/57/557243857.db2.gz JNPXNXLNWPPRGZ-UHFFFAOYSA-N -1 0 445.472 4.288 50 0 IIAARM Cn1c2ccccc2c([O-])c([C@H]2c3ccccc3Oc3c4ccccc4n(C)c(=O)c32)c1=O ZINC000100759778 557276053 /nfs/dbraw/zinc/27/60/53/557276053.db2.gz ITFULUCYHTWREB-OAQYLSRUSA-N -1 0 436.467 4.382 50 0 IIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000102448063 557302108 /nfs/dbraw/zinc/30/21/08/557302108.db2.gz HLIWSJCYYIVFEC-HSZRJFAPSA-N -1 0 440.459 4.386 50 0 IIAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3Cl)cnn21 ZINC000101836488 557303003 /nfs/dbraw/zinc/30/30/03/557303003.db2.gz MADXLJLTPULORB-GOSISDBHSA-N -1 0 438.871 4.171 50 0 IIAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(CC)cc3)cnn21 ZINC000101836496 557303010 /nfs/dbraw/zinc/30/30/10/557303010.db2.gz IALYCHYAZQGILM-HXUWFJFHSA-N -1 0 432.480 4.080 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)cc1 ZINC000102479101 557340184 /nfs/dbraw/zinc/34/01/84/557340184.db2.gz BUZDWLFBIOWMIE-PMACEKPBSA-N -1 0 449.898 4.359 50 0 IIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1Cl ZINC000102901446 557411366 /nfs/dbraw/zinc/41/13/66/557411366.db2.gz KQRFDKGKOVJSCA-GOSISDBHSA-N -1 0 426.835 4.220 50 0 IIAARM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C(O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000014128757 557836604 /nfs/dbraw/zinc/83/66/04/557836604.db2.gz OOUCFCQIQLLUSZ-TXPKVOOTSA-N -1 0 442.890 4.293 50 0 IIAARM CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000001926271 562925497 /nfs/dbraw/zinc/92/54/97/562925497.db2.gz XLIARUMKZCLTJP-UHFFFAOYSA-N -1 0 443.477 4.164 50 0 IIAARM Cc1c(C(=O)[O-])sc2[nH]c(CSc3ncc(C(F)(F)F)cc3Cl)nc(=O)c12 ZINC000003325183 562934310 /nfs/dbraw/zinc/93/43/10/562934310.db2.gz NGDCVDOKQJRAEK-UHFFFAOYSA-N -1 0 435.836 4.351 50 0 IIAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccccc1C(F)(F)F ZINC000009761996 562976717 /nfs/dbraw/zinc/97/67/17/562976717.db2.gz BJFDEOROSQHGOM-UHFFFAOYSA-N -1 0 449.863 4.201 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000015936991 563019128 /nfs/dbraw/zinc/01/91/28/563019128.db2.gz OCTAEBMTFXYRGK-XJKSGUPXSA-N -1 0 428.558 4.024 50 0 IIAARM Cc1cc(SC[C@@H](NC(=O)c2ccccc2)C(=O)[O-])c2cc(Br)ccc2n1 ZINC000012526593 568742540 /nfs/dbraw/zinc/74/25/40/568742540.db2.gz SSTQVBOBNHJGNN-QGZVFWFLSA-N -1 0 445.338 4.281 50 0 IIAARM COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)CCCC(=O)[O-] ZINC000003864988 568754845 /nfs/dbraw/zinc/75/48/45/568754845.db2.gz YTKTWBGGZVWGKV-GOSISDBHSA-N -1 0 445.313 4.390 50 0 IIAARM COc1ccc(-n2c(=O)[nH]c([O-])c(C(c3ccc(F)cc3)c3ccc(F)cc3)c2=O)cc1 ZINC000001406606 568787102 /nfs/dbraw/zinc/78/71/02/568787102.db2.gz CGESBXQWWAHGAK-NRFANRHFSA-N -1 0 436.414 4.005 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cc(C)ccc1OC)CC2 ZINC000015781900 568826134 /nfs/dbraw/zinc/82/61/34/568826134.db2.gz LEAYIFWKXAPCBL-LJQANCHMSA-N -1 0 442.512 4.407 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000006116383 568828454 /nfs/dbraw/zinc/82/84/54/568828454.db2.gz OGBYLXMAFWODNT-HZPDHXFCSA-N -1 0 438.340 4.103 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)no1 ZINC000006142703 568845364 /nfs/dbraw/zinc/84/53/64/568845364.db2.gz OSHCBIGZCOTFRP-UHFFFAOYSA-N -1 0 432.310 4.404 50 0 IIAARM C[C@@H](Sc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1)C(=O)[O-] ZINC000006177456 568852496 /nfs/dbraw/zinc/85/24/96/568852496.db2.gz ASRPKFJGRKZRRZ-GFCCVEGCSA-N -1 0 434.315 4.174 50 0 IIAARM CC(NCCc1c(C)[nH]c2c1c(C)ccc2C)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000575443870 568869837 /nfs/dbraw/zinc/86/98/37/568869837.db2.gz OQBSDJHRMVXDJX-PYCFMQQDSA-N -1 0 444.535 4.091 50 0 IIAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(C)c21 ZINC000217466092 568883008 /nfs/dbraw/zinc/88/30/08/568883008.db2.gz QTJWGRRPYOHVJD-WKILWMFISA-N -1 0 425.481 4.014 50 0 biogenic IIAARM COc1cccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)c1 ZINC000064557740 568931910 /nfs/dbraw/zinc/93/19/10/568931910.db2.gz DDNDRWAIZGIYFP-NRFANRHFSA-N -1 0 435.501 4.335 50 0 IIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000064557782 568932096 /nfs/dbraw/zinc/93/20/96/568932096.db2.gz NTFOGPJYLJKGNC-IBGZPJMESA-N -1 0 427.428 4.296 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000064670199 568943664 /nfs/dbraw/zinc/94/36/64/568943664.db2.gz SKONYGCNTLURPJ-UHFFFAOYSA-N -1 0 431.539 4.276 50 0 IIAARM CN1c2ccccc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)C1=O ZINC000036357289 569084486 /nfs/dbraw/zinc/08/44/86/569084486.db2.gz BYLIDCNJBWFYAD-QFIPXVFZSA-N -1 0 438.892 4.371 50 0 IIAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000036366916 569087386 /nfs/dbraw/zinc/08/73/86/569087386.db2.gz GLJLZQGRAMBJKW-NRFANRHFSA-N -1 0 442.855 4.486 50 0 IIAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@]21C(=O)Nc2ccc(F)cc21 ZINC000036366914 569087409 /nfs/dbraw/zinc/08/74/09/569087409.db2.gz GLJLZQGRAMBJKW-OAQYLSRUSA-N -1 0 442.855 4.486 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCC3)c(C)c2cc(C)c1C ZINC000065010556 569088316 /nfs/dbraw/zinc/08/83/16/569088316.db2.gz ASRBCGFBXPSECX-UHFFFAOYSA-N -1 0 442.537 4.403 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1C ZINC000065115871 569107021 /nfs/dbraw/zinc/10/70/21/569107021.db2.gz SGRHGPNXLLQWGI-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1C ZINC000065115853 569107036 /nfs/dbraw/zinc/10/70/36/569107036.db2.gz AVEYFZRTSRWWJL-UHFFFAOYSA-N -1 0 429.498 4.116 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000065115920 569107048 /nfs/dbraw/zinc/10/70/48/569107048.db2.gz UCHJNDPISMFUIK-UHFFFAOYSA-N -1 0 435.889 4.071 50 0 IIAARM COc1cc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c(C)cc1C ZINC000017010314 569170202 /nfs/dbraw/zinc/17/02/02/569170202.db2.gz PZTGKIMQQQZCFQ-UHFFFAOYSA-N -1 0 441.557 4.021 50 0 IIAARM Cc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c(C)c1 ZINC000017025894 569170995 /nfs/dbraw/zinc/17/09/95/569170995.db2.gz OQVWQZLQFAEJHY-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CC[C@@H](C)C2 ZINC000017096059 569173178 /nfs/dbraw/zinc/17/31/78/569173178.db2.gz VSGQYJJJBFYKBC-CABCVRRESA-N -1 0 428.554 4.242 50 0 IIAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)NC1CCCCC1 ZINC000017200346 569175867 /nfs/dbraw/zinc/17/58/67/569175867.db2.gz ATMWDEDIFGYOAK-UHFFFAOYSA-N -1 0 432.596 4.046 50 0 IIAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(=O)oc3c2C)c1C ZINC000002098332 569179400 /nfs/dbraw/zinc/17/94/00/569179400.db2.gz WHABIQDFZVOFNG-OAQYLSRUSA-N -1 0 433.460 4.257 50 0 biogenic IIAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002120633 569183456 /nfs/dbraw/zinc/18/34/56/569183456.db2.gz SCEGUZGIYBBTPE-GTJPDFRWSA-N -1 0 427.497 4.303 50 0 biogenic IIAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002125789 569184043 /nfs/dbraw/zinc/18/40/43/569184043.db2.gz SCJTWJSBMCKFIF-LJQANCHMSA-N -1 0 433.460 4.345 50 0 biogenic IIAARM C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000004543520 569256652 /nfs/dbraw/zinc/25/66/52/569256652.db2.gz CYWICJWKZPXJSA-LUKSYLLSSA-N -1 0 430.541 4.112 50 0 IIAARM O=C1[N-]C(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 ZINC000025185494 569257420 /nfs/dbraw/zinc/25/74/20/569257420.db2.gz LCOURZMLVBPXSP-UWJYYQICSA-N -1 0 429.398 4.340 50 0 IIAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000253533788 569284012 /nfs/dbraw/zinc/28/40/12/569284012.db2.gz KLRNMIUKAXHHFS-MKOPAFFPSA-N -1 0 432.557 4.192 50 0 IIAARM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4[nH]c(-c5ccc(F)cc5)nc4c3)cc2=O)cc1 ZINC000078903035 569320083 /nfs/dbraw/zinc/32/00/83/569320083.db2.gz HBLLJZGZGKRSKK-UHFFFAOYSA-N -1 0 427.439 4.409 50 0 IIAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(Br)c3)C2)c1 ZINC000095532084 569374575 /nfs/dbraw/zinc/37/45/75/569374575.db2.gz MLPPYZPNBUAUKS-SFHVURJKSA-N -1 0 431.286 4.000 50 0 IIAARM CCCCN(C)C(=O)CCCCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S ZINC000020644784 569374876 /nfs/dbraw/zinc/37/48/76/569374876.db2.gz XSAKYYJNHXTTLH-UHFFFAOYSA-N -1 0 435.590 4.285 50 0 IIAARM COC(=O)C[C@H](c1ccc(O)cc1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113803 569382609 /nfs/dbraw/zinc/38/26/09/569382609.db2.gz NVNMXUOOBLMESI-LJQANCHMSA-N -1 0 432.428 4.272 50 0 biogenic IIAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(n2c(C)nc3cccnc32)CC1 ZINC000096399360 569400076 /nfs/dbraw/zinc/40/00/76/569400076.db2.gz FGPNVRKFPVQLAQ-UHFFFAOYSA-N -1 0 435.528 4.408 50 0 IIAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002472485 569404322 /nfs/dbraw/zinc/40/43/22/569404322.db2.gz IAJWFABNVLHZAA-QAPCUYQASA-N -1 0 438.343 4.215 50 0 IIAARM COc1ccc(CNC(=O)C2CCC(Cn3c(=O)c4sccc4[n-]c3=S)CC2)cc1 ZINC000002925593 569425629 /nfs/dbraw/zinc/42/56/29/569425629.db2.gz YTUYOEYPDBKGOB-UHFFFAOYSA-N -1 0 443.594 4.252 50 0 IIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCO[C@H](c2ccccc2)C1 ZINC000030646550 569445604 /nfs/dbraw/zinc/44/56/04/569445604.db2.gz CFWOMEWWWWRGBP-NRFANRHFSA-N -1 0 437.565 4.220 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)no1 ZINC000003404695 569449861 /nfs/dbraw/zinc/44/98/61/569449861.db2.gz PYGJYIIOPQOADC-UHFFFAOYSA-N -1 0 438.509 4.227 50 0 IIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000038708904 569467679 /nfs/dbraw/zinc/46/76/79/569467679.db2.gz WLMWEQBPSXYPLC-UHFFFAOYSA-N -1 0 435.530 4.300 50 0 IIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1 ZINC000008977290 569493050 /nfs/dbraw/zinc/49/30/50/569493050.db2.gz IQMWMHHVWUWJMP-UHFFFAOYSA-N -1 0 434.489 4.026 50 0 IIAARM CCCCC(=O)N[C@@]([N-]c1nc2cc(C)c(C)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009108793 569501872 /nfs/dbraw/zinc/50/18/72/569501872.db2.gz DZSZDGOUOKJUSK-GOSISDBHSA-N -1 0 431.480 4.453 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c1 ZINC000009228220 569513582 /nfs/dbraw/zinc/51/35/82/569513582.db2.gz YMMVYJBPIULPQX-UHFFFAOYSA-N -1 0 446.428 4.399 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000009283722 569518929 /nfs/dbraw/zinc/51/89/29/569518929.db2.gz WTSBZJNFOJZTPK-UHFFFAOYSA-N -1 0 435.137 4.411 50 0 IIAARM C[C@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@@H]1C ZINC000009367467 569526432 /nfs/dbraw/zinc/52/64/32/569526432.db2.gz QFGQPFHUMGLFFZ-CHWSQXEVSA-N -1 0 429.523 4.081 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000009439918 569535111 /nfs/dbraw/zinc/53/51/11/569535111.db2.gz CVHBEJBENNGKLM-UHFFFAOYSA-N -1 0 435.137 4.329 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000009444251 569535765 /nfs/dbraw/zinc/53/57/65/569535765.db2.gz MVZZONFYCRKPOB-UHFFFAOYSA-N -1 0 430.913 4.331 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000009507375 569542009 /nfs/dbraw/zinc/54/20/09/569542009.db2.gz ZFAZLFUFUOXPEY-UHFFFAOYSA-N -1 0 443.428 4.095 50 0 IIAARM O=C(Nc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000009739274 569565050 /nfs/dbraw/zinc/56/50/50/569565050.db2.gz UIJUDGCJGQNBBE-UHFFFAOYSA-N -1 0 442.468 4.040 50 0 IIAARM CCOc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000002109391 132248154 /nfs/dbraw/zinc/24/81/54/132248154.db2.gz ZSCNIRFZUMPJRC-RUZDIDTESA-N -1 0 447.487 4.479 50 0 biogenic IIAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Cl)c1OCC ZINC000009892684 132330991 /nfs/dbraw/zinc/33/09/91/132330991.db2.gz WWGYIPBTWUOHER-UHFFFAOYSA-N -1 0 434.920 4.284 50 0 IIAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000000968278 502830364 /nfs/dbraw/zinc/83/03/64/502830364.db2.gz GXPHKUHSUJUWKP-NTKDMRAZSA-N -1 0 441.549 4.374 50 0 world IIAARM CC(C)CCNC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112470 519656524 /nfs/dbraw/zinc/65/65/24/519656524.db2.gz SNFINVYACWXSQQ-UHFFFAOYSA-N -1 0 443.594 4.164 50 0 IIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557599 519727084 /nfs/dbraw/zinc/72/70/84/519727084.db2.gz DSLIGQPSUDJZDR-UHFFFAOYSA-N -1 0 432.527 4.215 50 0 IIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3ccccc3C2)cc1 ZINC000012536147 521210385 /nfs/dbraw/zinc/21/03/85/521210385.db2.gz XDJVIPDFJWYXNZ-UHFFFAOYSA-N -1 0 436.533 4.085 50 0 IIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036051944 522042012 /nfs/dbraw/zinc/04/20/12/522042012.db2.gz SCCCVXNSYQWRRS-RCCFBDPRSA-N -1 0 430.570 4.250 50 0 IIAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854721 522534135 /nfs/dbraw/zinc/53/41/35/522534135.db2.gz WOAXIHAOGCFDOZ-JOCHJYFZSA-N -1 0 447.608 4.274 50 0 IIAARM COc1ccc(-c2nnc(SCc3nc(-c4ccc(Cl)cc4)no3)[n-]c2=O)cc1 ZINC000024747996 523264173 /nfs/dbraw/zinc/26/41/73/523264173.db2.gz SFGVCELKWUSIMW-UHFFFAOYSA-N -1 0 427.873 4.249 50 0 IIAARM COc1ccc(C)cc1NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021931953 523841613 /nfs/dbraw/zinc/84/16/13/523841613.db2.gz XYXZZXCCCUDRDJ-UHFFFAOYSA-N -1 0 425.510 4.069 50 0 IIAARM C[C@@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012790805 524212810 /nfs/dbraw/zinc/21/28/10/524212810.db2.gz KXYWCDZDBGFPTK-CQSZACIVSA-N -1 0 426.460 4.378 50 0 IIAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CC[C@H](C)C3)cc1 ZINC000017096028 524554533 /nfs/dbraw/zinc/55/45/33/524554533.db2.gz PZSZJXGDMKPIAE-HNNXBMFYSA-N -1 0 428.554 4.305 50 0 IIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1 ZINC000020989779 525412111 /nfs/dbraw/zinc/41/21/11/525412111.db2.gz OAGDIMVLMVUOBP-UHFFFAOYSA-N -1 0 429.464 4.077 50 0 IIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c(C)s1 ZINC000012630624 525424158 /nfs/dbraw/zinc/42/41/58/525424158.db2.gz HZXHKFADAWKUOI-UHFFFAOYSA-N -1 0 444.534 4.189 50 0 IIAARM CSc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000021931936 526137470 /nfs/dbraw/zinc/13/74/70/526137470.db2.gz AJPLNVNNVOFKTR-UHFFFAOYSA-N -1 0 427.551 4.473 50 0 IIAARM C[C@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012790811 526267269 /nfs/dbraw/zinc/26/72/69/526267269.db2.gz KXYWCDZDBGFPTK-AWEZNQCLSA-N -1 0 426.460 4.378 50 0 IIAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022609187 526331574 /nfs/dbraw/zinc/33/15/74/526331574.db2.gz SLZNGFBBGAKHHT-GOSISDBHSA-N -1 0 425.945 4.061 50 0 IIAARM O=C([O-])c1ccc(-c2oc3c(Br)cc(Br)cc3c(=O)c2O)cc1 ZINC000041195145 526359150 /nfs/dbraw/zinc/35/91/50/526359150.db2.gz GDOSILZXICLCEI-UHFFFAOYSA-N -1 0 440.043 4.389 50 0 in-vitro IIAARM O=C([O-])c1cnc(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1 ZINC000012546553 526403224 /nfs/dbraw/zinc/40/32/24/526403224.db2.gz WKYZOBJFBAHLQW-UHFFFAOYSA-N -1 0 443.544 4.134 50 0 IIAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(C)s2)no1 ZINC000035539145 526562206 /nfs/dbraw/zinc/56/22/06/526562206.db2.gz VGTNLEPIAYMFPL-UHFFFAOYSA-N -1 0 428.333 4.287 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)no1 ZINC000000646307 555521029 /nfs/dbraw/zinc/52/10/29/555521029.db2.gz ITBPUAFIASJSBY-UHFFFAOYSA-N -1 0 443.525 4.099 50 0 IIAARM Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1Cl ZINC000000668126 555529555 /nfs/dbraw/zinc/52/95/55/555529555.db2.gz UJOJTQVCNZSCFM-UBFBPUDLSA-N -1 0 443.886 4.284 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000000942082 555587090 /nfs/dbraw/zinc/58/70/90/555587090.db2.gz HZVPVBVSVMMXDY-UHFFFAOYSA-N -1 0 430.489 4.197 50 0 IIAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000000979983 555593136 /nfs/dbraw/zinc/59/31/36/555593136.db2.gz DWDRJGKFKHHXTL-LHHJGKSTSA-N -1 0 427.671 4.415 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3C)cc2)no1 ZINC000001904214 555723766 /nfs/dbraw/zinc/72/37/66/555723766.db2.gz LQHQPNGQCHDGPY-UHFFFAOYSA-N -1 0 443.525 4.198 50 0 IIAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)NCCCC(=O)[O-])c(C)c4cc32)cc1 ZINC000002138431 555747910 /nfs/dbraw/zinc/74/79/10/555747910.db2.gz BTBXQUWRIQKCLC-UHFFFAOYSA-N -1 0 433.460 4.347 50 0 biogenic IIAARM CCOC(=O)[C@]([N-]c1ccccc1C(F)(F)F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002271005 555764401 /nfs/dbraw/zinc/76/44/01/555764401.db2.gz AGIHOVZXIQKHDW-KRWDZBQOSA-N -1 0 434.336 4.369 50 0 IIAARM CC(=O)Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002382659 555774353 /nfs/dbraw/zinc/77/43/53/555774353.db2.gz OJDKWDQVBLTUAW-DEOSSOPVSA-N -1 0 444.487 4.179 50 0 IIAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000002981830 555872124 /nfs/dbraw/zinc/87/21/24/555872124.db2.gz XKMZJNDWCYVENE-UMSHPIDHSA-N -1 0 428.916 4.035 50 0 IIAARM CSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2 ZINC000008452714 556183190 /nfs/dbraw/zinc/18/31/90/556183190.db2.gz CJEDIWPWYVWGLB-OAHLLOKOSA-N -1 0 445.298 4.224 50 0 IIAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000008595836 556190685 /nfs/dbraw/zinc/19/06/85/556190685.db2.gz QNHHDDVMZNPHBB-JOCHJYFZSA-N -1 0 429.432 4.302 50 0 IIAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000008595837 556190708 /nfs/dbraw/zinc/19/07/08/556190708.db2.gz QNHHDDVMZNPHBB-QFIPXVFZSA-N -1 0 429.432 4.302 50 0 IIAARM CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000009260947 556268736 /nfs/dbraw/zinc/26/87/36/556268736.db2.gz STJAYPYSOWZXFW-CXUHLZMHSA-N -1 0 448.294 4.392 50 0 IIAARM O=C(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009526081 556297029 /nfs/dbraw/zinc/29/70/29/556297029.db2.gz MTFWZQBNKYFRAI-UHFFFAOYSA-N -1 0 434.517 4.040 50 0 IIAARM CCc1c([O-])nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)c1=O ZINC000010034986 556322747 /nfs/dbraw/zinc/32/27/47/556322747.db2.gz NAJUCUALPXGDNB-ZDUSSCGKSA-N -1 0 429.929 4.273 50 0 IIAARM O=C([O-])c1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 ZINC000013943057 556340713 /nfs/dbraw/zinc/34/07/13/556340713.db2.gz DWNZGHPWAMPLNE-LPYMAVHISA-N -1 0 446.434 4.196 50 0 IIAARM CCCc1cc(-c2n[nH]c(COCC(=O)[O-])c2-c2nc3ccccc3s2)c(O)cc1O ZINC000011867634 556368623 /nfs/dbraw/zinc/36/86/23/556368623.db2.gz BTBWAHXPQOTMER-UHFFFAOYSA-N -1 0 439.493 4.318 50 0 biogenic IIAARM O=C(Nc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1F)C1CC1 ZINC000028253018 556447000 /nfs/dbraw/zinc/44/70/00/556447000.db2.gz MEDZCSQDPXSITN-UHFFFAOYSA-N -1 0 447.713 4.391 50 0 IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1)[C@@H]1CCCO1 ZINC000030531584 556496888 /nfs/dbraw/zinc/49/68/88/556496888.db2.gz XKRBERCAXFCCOM-HNNXBMFYSA-N -1 0 448.850 4.277 50 0 IIAARM CCOC(=O)c1c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)sc2c1CCCS2 ZINC000013249713 556500624 /nfs/dbraw/zinc/50/06/24/556500624.db2.gz OOSFRTKKIUTWTJ-NRFANRHFSA-N -1 0 433.551 4.334 50 0 IIAARM O=C([O-])[C@H](CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1 ZINC000013615633 556535354 /nfs/dbraw/zinc/53/53/54/556535354.db2.gz QMDWAAKCBIHWQV-LBPRGKRZSA-N -1 0 443.668 4.217 50 0 IIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc2C1 ZINC000032903684 556539973 /nfs/dbraw/zinc/53/99/73/556539973.db2.gz CTKRVIISDINBEZ-UHFFFAOYSA-N -1 0 432.954 4.401 50 0 IIAARM O=C(NC1CCCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033115398 556554989 /nfs/dbraw/zinc/55/49/89/556554989.db2.gz SBYRQUDXCWPOMD-UHFFFAOYSA-N -1 0 430.545 4.497 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000016096983 556582483 /nfs/dbraw/zinc/58/24/83/556582483.db2.gz KOXUWDSARPVXQF-UHFFFAOYSA-N -1 0 430.869 4.122 50 0 IIAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000016120571 556584298 /nfs/dbraw/zinc/58/42/98/556584298.db2.gz KDQODIDXQHGIIE-UHFFFAOYSA-N -1 0 447.301 4.010 50 0 IIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)/C=C(\C(=O)[O-])c4ccccc4)cc3)CC2)c1 ZINC000033725331 556627364 /nfs/dbraw/zinc/62/73/64/556627364.db2.gz USASQUGPKVWPIK-PLRJNAJWSA-N -1 0 441.531 4.428 50 0 IIAARM CCCCC(=O)N[C@]([N-]c1nc2ccc(Cl)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000016957017 556650653 /nfs/dbraw/zinc/65/06/53/556650653.db2.gz IAECHJCHVDJWEA-INIZCTEOSA-N -1 0 437.871 4.490 50 0 IIAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000033007447 556656443 /nfs/dbraw/zinc/65/64/43/556656443.db2.gz SQQKFDYMUMFHKN-UHFFFAOYSA-N -1 0 426.897 4.359 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017095868 556659253 /nfs/dbraw/zinc/65/92/53/556659253.db2.gz VVSPUVVMCNTNNZ-GJZGRUSLSA-N -1 0 428.510 4.231 50 0 IIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000017097512 556661716 /nfs/dbraw/zinc/66/17/16/556661716.db2.gz ZXECJYSADASNSH-HZPDHXFCSA-N -1 0 431.510 4.348 50 0 IIAARM CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000238899590 556681830 /nfs/dbraw/zinc/68/18/30/556681830.db2.gz GTDLOAQTYBOVIN-BZSNNMDCSA-N -1 0 443.540 4.219 50 0 biogenic IIAARM O=C([O-])[C@H](CN1CCCc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722977398 556749366 /nfs/dbraw/zinc/74/93/66/556749366.db2.gz UJOIDAZSTFNCQY-DEOSSOPVSA-N -1 0 442.515 4.431 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000019631804 556832708 /nfs/dbraw/zinc/83/27/08/556832708.db2.gz FPZFWZSFRGEOFJ-ZIAGYGMSSA-N -1 0 440.521 4.103 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)c1 ZINC000019631817 556832765 /nfs/dbraw/zinc/83/27/65/556832765.db2.gz MOWVXZNBTQZMDZ-CVEARBPZSA-N -1 0 440.521 4.103 50 0 IIAARM CSc1ccc(NC(=O)N2CCc3nc4cc(-c5ccccc5)[n-]n4c(=O)c3C2)cc1 ZINC000097123375 556990827 /nfs/dbraw/zinc/99/08/27/556990827.db2.gz WUDLEIRHYUQGAR-UHFFFAOYSA-N -1 0 431.521 4.002 50 0 IIAARM O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000032947037 557038256 /nfs/dbraw/zinc/03/82/56/557038256.db2.gz TZYUARQHQNQAKJ-UHFFFAOYSA-N -1 0 433.483 4.098 50 0 IIAARM Cc1ccc(-n2c3nc(SCC(=O)N4CCCCCC4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948604 557056631 /nfs/dbraw/zinc/05/66/31/557056631.db2.gz ZXJVKBOQEPMUJQ-UHFFFAOYSA-N -1 0 446.623 4.308 50 0 IIAARM Cc1ccccc1-n1c2nc(SCC(=O)N3CCCCCC3)[n-]c(=O)c2sc1=S ZINC000032948428 557058454 /nfs/dbraw/zinc/05/84/54/557058454.db2.gz GACAYQJXAIXLLR-UHFFFAOYSA-N -1 0 446.623 4.308 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3Cl)cc2)s1 ZINC000033284967 557063907 /nfs/dbraw/zinc/06/39/07/557063907.db2.gz RHKSTTQPBVJHTC-GHXNOFRVSA-N -1 0 448.957 4.207 50 0 IIAARM CC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)s1 ZINC000033303156 557083926 /nfs/dbraw/zinc/08/39/26/557083926.db2.gz DTUQMNXMNQLKGM-CSKARUKUSA-N -1 0 445.522 4.177 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000049003387 557091132 /nfs/dbraw/zinc/09/11/32/557091132.db2.gz BTRUJQDBQQNZOJ-UHFFFAOYSA-N -1 0 442.541 4.293 50 0 IIAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000006142088 557117432 /nfs/dbraw/zinc/11/74/32/557117432.db2.gz OZBPVMCJZLVYJH-UPCLLVRISA-N -1 0 443.455 4.169 50 0 IIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000025471364 557211910 /nfs/dbraw/zinc/21/19/10/557211910.db2.gz IJMZOMAGDJLISZ-UHFFFAOYSA-N -1 0 428.517 4.260 50 0 IIAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cc3ccccc3)c2)c1Cl ZINC000026535844 557243768 /nfs/dbraw/zinc/24/37/68/557243768.db2.gz GKSYOUHSYBBWAC-UHFFFAOYSA-N -1 0 427.860 4.067 50 0 IIAARM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621325 557266275 /nfs/dbraw/zinc/26/62/75/557266275.db2.gz PATYZDYDARAFJE-UHFFFAOYSA-N -1 0 447.560 4.440 50 0 IIAARM CCS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(C)cc1)=N2 ZINC000101618467 557292441 /nfs/dbraw/zinc/29/24/41/557292441.db2.gz DHKVTXMMSVAVRY-GOSISDBHSA-N -1 0 429.933 4.058 50 0 IIAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000101663833 557293491 /nfs/dbraw/zinc/29/34/91/557293491.db2.gz NLUPUBCBSWURFU-PMACEKPBSA-N -1 0 449.898 4.414 50 0 IIAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1Cl ZINC000101723015 557294800 /nfs/dbraw/zinc/29/48/00/557294800.db2.gz SWXUXFSCEOILFQ-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM O=C(NCc1ccc(C(F)(F)F)cc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723474 557295016 /nfs/dbraw/zinc/29/50/16/557295016.db2.gz VODSTLZRPJRIDD-UHFFFAOYSA-N -1 0 439.393 4.040 50 0 IIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)N1CCc2ccccc2C1 ZINC000101832270 557300720 /nfs/dbraw/zinc/30/07/20/557300720.db2.gz KTTJGWVIHDCYJL-UHFFFAOYSA-N -1 0 444.560 4.441 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000101836316 557302774 /nfs/dbraw/zinc/30/27/74/557302774.db2.gz IOKDDUDGBCTLES-KRWDZBQOSA-N -1 0 429.263 4.426 50 0 IIAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253473 557327713 /nfs/dbraw/zinc/32/77/13/557327713.db2.gz GBSAVGUEUCTPNS-UHFFFAOYSA-N -1 0 440.521 4.221 50 0 IIAARM CN1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])c2ccccc21 ZINC000685939971 557838797 /nfs/dbraw/zinc/83/87/97/557838797.db2.gz OLRSMTVTPVBNES-AREMUKBSSA-N -1 0 428.488 4.345 50 0 IIAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000241135452 557845955 /nfs/dbraw/zinc/84/59/55/557845955.db2.gz JPKUECXRWBMFHY-RYUDHWBXSA-N -1 0 439.242 4.016 50 0 IIAARM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000014952767 563015723 /nfs/dbraw/zinc/01/57/23/563015723.db2.gz ZEUXAIYYDDCIRX-UHFFFAOYSA-N -1 0 436.903 4.473 50 0 world IIAARM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccc(Cl)cc2)cc1 ZINC000084671291 568799687 /nfs/dbraw/zinc/79/96/87/568799687.db2.gz KSAWLCYYJOXKFZ-UHFFFAOYSA-N -1 0 430.917 4.262 50 0 IIAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000100726607 568837068 /nfs/dbraw/zinc/83/70/68/568837068.db2.gz KHWAVBYANPTJJF-YPAWHYETSA-N -1 0 434.879 4.400 50 0 IIAARM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000034736505 568889310 /nfs/dbraw/zinc/88/93/10/568889310.db2.gz SAMQYNYDDCLWTA-LUTRRODMSA-N -1 0 425.868 4.183 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000239433372 568911590 /nfs/dbraw/zinc/91/15/90/568911590.db2.gz XPAPAWNMHPOEEQ-BRWVUGGUSA-N -1 0 444.597 4.495 50 0 IIAARM CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000089492998 568926797 /nfs/dbraw/zinc/92/67/97/568926797.db2.gz YKUFLTKGWINBHQ-UHFFFAOYSA-N -1 0 437.926 4.337 50 0 IIAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)[n-]c1=O ZINC000064774897 568954146 /nfs/dbraw/zinc/95/41/46/568954146.db2.gz PZEZXGWIFOKNNJ-AWEZNQCLSA-N -1 0 437.525 4.020 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)c1C ZINC000064820420 568967276 /nfs/dbraw/zinc/96/72/76/568967276.db2.gz DHZSPVBAXFDPGD-UHFFFAOYSA-N -1 0 438.503 4.288 50 0 IIAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000064843191 568971044 /nfs/dbraw/zinc/97/10/44/568971044.db2.gz KLJYAKHPAPHXLB-UHFFFAOYSA-N -1 0 439.537 4.224 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862310 568974012 /nfs/dbraw/zinc/97/40/12/568974012.db2.gz QREFPOXBSJNJRM-UHFFFAOYSA-N -1 0 443.569 4.209 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021320 569088802 /nfs/dbraw/zinc/08/88/02/569088802.db2.gz JSKKHNDHVJGXTF-UHFFFAOYSA-N -1 0 434.945 4.184 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000065116001 569107038 /nfs/dbraw/zinc/10/70/38/569107038.db2.gz OQIDBZYPCSTTHL-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc2C1 ZINC000065196286 569115728 /nfs/dbraw/zinc/11/57/28/569115728.db2.gz QGHPAHWPZKUWQY-UHFFFAOYSA-N -1 0 428.938 4.026 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017026570 569171112 /nfs/dbraw/zinc/17/11/12/569171112.db2.gz KLFLHZYMPNYHAR-UHFFFAOYSA-N -1 0 436.533 4.397 50 0 IIAARM Cc1cc(NC(=O)[C@H](Sc2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c2ccccc2)no1 ZINC000017101331 569174004 /nfs/dbraw/zinc/17/40/04/569174004.db2.gz COVDAOXUCDNNSZ-RJRNSMGGSA-N -1 0 437.477 4.034 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCCCC(=O)[O-])oc1c3CCCC1 ZINC000002104578 569180224 /nfs/dbraw/zinc/18/02/24/569180224.db2.gz CTJIOMJOOLLAHN-UHFFFAOYSA-N -1 0 425.481 4.030 50 0 biogenic IIAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc1c2C ZINC000002106390 569181186 /nfs/dbraw/zinc/18/11/86/569181186.db2.gz CSBGBRXBECGICR-UHFFFAOYSA-N -1 0 425.481 4.014 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CC(C)C)C(=O)[O-])occ3C(C)(C)C ZINC000002158597 569187731 /nfs/dbraw/zinc/18/77/31/569187731.db2.gz ROKVXOAADZRICC-SFHVURJKSA-N -1 0 427.497 4.303 50 0 biogenic IIAARM COc1cc(/C=C2\CCn3c2nc2sc(C(=O)[O-])c(C)c2c3=O)ccc1OC(F)F ZINC000009415307 569296104 /nfs/dbraw/zinc/29/61/04/569296104.db2.gz PLEYTJYZXREZJL-YRNVUSSQSA-N -1 0 434.420 4.019 50 0 IIAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)[C@@H]1C ZINC000020102561 569333978 /nfs/dbraw/zinc/33/39/78/569333978.db2.gz XIJQVCOKYZTCSK-CBGDNZLLSA-N -1 0 435.593 4.482 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4C[C@@H](C)C[C@H](C)C4)c3=O)c2c1 ZINC000020331618 569360954 /nfs/dbraw/zinc/36/09/54/569360954.db2.gz STWUSXGWZZIMSJ-GJZGRUSLSA-N -1 0 442.585 4.224 50 0 IIAARM O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(Br)c([O-])c(Br)c1 ZINC000095449273 569367618 /nfs/dbraw/zinc/36/76/18/569367618.db2.gz KEQHCVATRCJSBJ-UHFFFAOYSA-N -1 0 446.120 4.145 50 0 IIAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(C)c21 ZINC000217464240 569446473 /nfs/dbraw/zinc/44/64/73/569446473.db2.gz KKFBJQHCTZFQTR-QAQDUYKDSA-N -1 0 439.508 4.323 50 0 biogenic IIAARM COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000217610383 569450042 /nfs/dbraw/zinc/45/00/42/569450042.db2.gz JOBMFOFXRSGPSV-IBGZPJMESA-N -1 0 432.428 4.272 50 0 biogenic IIAARM COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccc(F)c2)CC(=O)O4)cc1O ZINC000217724664 569452308 /nfs/dbraw/zinc/45/23/08/569452308.db2.gz AQKLQKZAWSXBGH-OAHLLOKOSA-N -1 0 448.402 4.460 50 0 biogenic IIAARM O=C([O-])CCCCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000008861359 569479981 /nfs/dbraw/zinc/47/99/81/569479981.db2.gz LRTZFXLDDDUYAA-VUPRMNMUSA-N -1 0 440.927 4.428 50 0 IIAARM CCCc1cc(=O)oc2c(C)c3occ(CCNC(=O)c4ccccc4C(=O)[O-])c3cc12 ZINC000008990661 569495003 /nfs/dbraw/zinc/49/50/03/569495003.db2.gz RAXPWBLOLRARJH-UHFFFAOYSA-N -1 0 433.460 4.471 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000009002264 569496067 /nfs/dbraw/zinc/49/60/67/569496067.db2.gz HUGJMCKIMFRHLQ-UHFFFAOYSA-N -1 0 431.491 4.040 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000040310043 569498787 /nfs/dbraw/zinc/49/87/87/569498787.db2.gz AMYBAVSRXPTBSU-SFHVURJKSA-N -1 0 441.285 4.050 50 0 biogenic IIAARM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009094985 569501291 /nfs/dbraw/zinc/50/12/91/569501291.db2.gz NUYVBXAAWXPEPH-UHFFFAOYSA-N -1 0 445.566 4.259 50 0 IIAARM Cc1sc2nc(-c3cccnc3)nc([N-]S(=O)(=O)c3cc(F)ccc3F)c2c1C ZINC000009203242 569511305 /nfs/dbraw/zinc/51/13/05/569511305.db2.gz LGCPSYQYWLWFOD-UHFFFAOYSA-N -1 0 432.477 4.449 50 0 IIAARM O=S(=O)([N-]c1nc(CN2CCCCC2)nc2sc3c(c21)CCCC3)c1cccs1 ZINC000009224176 569513102 /nfs/dbraw/zinc/51/31/02/569513102.db2.gz UGXNDYDTJJISGX-UHFFFAOYSA-N -1 0 448.639 4.418 50 0 IIAARM COC(=O)c1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000009480706 569539412 /nfs/dbraw/zinc/53/94/12/569539412.db2.gz OUKOQDJEUOLDBA-VXKWHMMOSA-N -1 0 433.435 4.178 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2ON1c1ccccc1 ZINC000009479111 569539449 /nfs/dbraw/zinc/53/94/49/569539449.db2.gz PYZFNPKDFMBVOX-NJDAHSKKSA-N -1 0 448.862 4.089 50 0 IIAARM COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000009590951 569550092 /nfs/dbraw/zinc/55/00/92/569550092.db2.gz XZIYGCJVPKQUNV-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM Cc1nn(-c2ccc(F)cc2)c2[n-]cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12 ZINC000010166791 569578279 /nfs/dbraw/zinc/57/82/79/569578279.db2.gz KBVXPVCSZSSWCK-UHFFFAOYSA-N -1 0 446.360 4.312 50 0 IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1cc(Cl)ccc1Cl ZINC000013723471 569583533 /nfs/dbraw/zinc/58/35/33/569583533.db2.gz HHYWRGCTGKKMSH-UHFFFAOYSA-N -1 0 442.349 4.432 50 0 IIAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000008840724 132295735 /nfs/dbraw/zinc/29/57/35/132295735.db2.gz OXYJMINWUAMLJL-UHFFFAOYSA-N -1 0 437.359 4.329 50 0 IIAARM CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397336 519441997 /nfs/dbraw/zinc/44/19/97/519441997.db2.gz WOXHEUNUTSWSDZ-UHFFFAOYSA-N -1 0 431.558 4.015 50 0 IIAARM CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397433 519443410 /nfs/dbraw/zinc/44/34/10/519443410.db2.gz SHBZXBMJNGMTTJ-UHFFFAOYSA-N -1 0 431.558 4.160 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016128683 519731926 /nfs/dbraw/zinc/73/19/26/519731926.db2.gz SYOBKKPBHKIRMO-UHFFFAOYSA-N -1 0 443.912 4.352 50 0 IIAARM CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CCC(=O)[O-])O[C@H](C)C2 ZINC000012817540 520793620 /nfs/dbraw/zinc/79/36/20/520793620.db2.gz AXRSUZGTLMFAKW-CYBMUJFWSA-N -1 0 445.566 4.496 50 0 IIAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1OC ZINC000012412046 521261754 /nfs/dbraw/zinc/26/17/54/521261754.db2.gz PBDLXAATUWVHDG-INIZCTEOSA-N -1 0 436.302 4.111 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1Cl ZINC000020580392 522814981 /nfs/dbraw/zinc/81/49/81/522814981.db2.gz DJCZBPDYEZBBQU-UHFFFAOYSA-N -1 0 438.889 4.130 50 0 IIAARM COc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1C(=O)[O-] ZINC000012852073 524052313 /nfs/dbraw/zinc/05/23/13/524052313.db2.gz AENUQWQKQOLEAM-UHFFFAOYSA-N -1 0 425.868 4.409 50 0 IIAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c(C)c1 ZINC000035397583 524327021 /nfs/dbraw/zinc/32/70/21/524327021.db2.gz LPXVUKRIWAKSJA-UHFFFAOYSA-N -1 0 431.558 4.276 50 0 IIAARM Cc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000021931807 524664911 /nfs/dbraw/zinc/66/49/11/524664911.db2.gz BOHAZJNZLWXZNH-UHFFFAOYSA-N -1 0 446.326 4.206 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Br ZINC000012852404 525462920 /nfs/dbraw/zinc/46/29/20/525462920.db2.gz INYKJPAXSAWJTH-ZDUSSCGKSA-N -1 0 446.320 4.186 50 0 IIAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000035982099 526293663 /nfs/dbraw/zinc/29/36/63/526293663.db2.gz NOEDGJCDBFBMOO-GRDNDAEWSA-N -1 0 449.912 4.419 50 0 IIAARM [O-]c1c([C@H](c2cccs2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022610201 526332010 /nfs/dbraw/zinc/33/20/10/526332010.db2.gz WWBUDDQBJBLCOL-INIZCTEOSA-N -1 0 431.974 4.123 50 0 IIAARM O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000032946821 526373306 /nfs/dbraw/zinc/37/33/06/526373306.db2.gz PSYQGLPWDWCZQH-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 ZINC000022412305 527601627 /nfs/dbraw/zinc/60/16/27/527601627.db2.gz CGRRVNKJBSYQGV-UHFFFAOYSA-N -1 0 439.493 4.149 50 0 IIAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 ZINC000012630144 527617194 /nfs/dbraw/zinc/61/71/94/527617194.db2.gz XONDPJVAAFZWTO-SXGWCWSVSA-N -1 0 448.294 4.149 50 0 IIAARM O=C([O-])C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 ZINC000001033260 527625103 /nfs/dbraw/zinc/62/51/03/527625103.db2.gz KOTAHNXLRXGYMT-MRXNPFEDSA-N -1 0 436.430 4.129 50 0 IIAARM Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1Cl ZINC000000668127 555529585 /nfs/dbraw/zinc/52/95/85/555529585.db2.gz UJOJTQVCNZSCFM-OLJONYEBSA-N -1 0 443.886 4.284 50 0 IIAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1I ZINC000000828200 555565780 /nfs/dbraw/zinc/56/57/80/555565780.db2.gz XGYSGLLEFCOPHM-LBPRGKRZSA-N -1 0 443.668 4.217 50 0 IIAARM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)ccc1C(C)C ZINC000000958056 555590588 /nfs/dbraw/zinc/59/05/88/555590588.db2.gz IQDALQFJJRDFEJ-UHFFFAOYSA-N -1 0 439.537 4.332 50 0 IIAARM Cc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=O ZINC000000979693 555593017 /nfs/dbraw/zinc/59/30/17/555593017.db2.gz RUQBYDGUQHKDJB-UHFFFAOYSA-N -1 0 436.320 4.284 50 0 IIAARM O=S(=O)([N-]Cc1cccc(Cl)c1)c1sc(Br)cc1Br ZINC000001039593 555609348 /nfs/dbraw/zinc/60/93/48/555609348.db2.gz DYIXTUWAVRMXJW-UHFFFAOYSA-N -1 0 445.585 4.405 50 0 IIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cccc(O)c4)c(Cl)c1=O)(C3)C2 ZINC000002346003 555770490 /nfs/dbraw/zinc/77/04/90/555770490.db2.gz ICADXJDRQNPZJQ-NAZSJPOASA-N -1 0 429.904 4.116 50 0 IIAARM CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000006077850 556075352 /nfs/dbraw/zinc/07/53/52/556075352.db2.gz KLNHXRXDHYCJIA-CQSZACIVSA-N -1 0 440.780 4.064 50 0 IIAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCC1=CCCCC1 ZINC000002974413 556152852 /nfs/dbraw/zinc/15/28/52/556152852.db2.gz KMAGTLCPPCMFBP-UHFFFAOYSA-N -1 0 443.569 4.355 50 0 IIAARM COc1ccc(OC)c(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCCC3)c1 ZINC000008387405 556162673 /nfs/dbraw/zinc/16/26/73/556162673.db2.gz ARHTWGQZFOXPAV-UHFFFAOYSA-N -1 0 446.525 4.090 50 0 IIAARM COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000008432386 556171818 /nfs/dbraw/zinc/17/18/18/556171818.db2.gz VUPKWDIIYDMNQQ-GOSISDBHSA-N -1 0 431.286 4.000 50 0 IIAARM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000011024106 556339020 /nfs/dbraw/zinc/33/90/20/556339020.db2.gz TZBXUEJPCZJCPS-YZVOILCLSA-N -1 0 426.460 4.150 50 0 IIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000013098083 556458831 /nfs/dbraw/zinc/45/88/31/556458831.db2.gz NEIULHQXUBZXGD-UHFFFAOYSA-N -1 0 446.447 4.262 50 0 IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1)[C@H]1CCCO1 ZINC000030531586 556496999 /nfs/dbraw/zinc/49/69/99/556496999.db2.gz XKRBERCAXFCCOM-OAHLLOKOSA-N -1 0 448.850 4.277 50 0 IIAARM Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)[O-])n1Cc1ccccc1 ZINC000013344808 556502639 /nfs/dbraw/zinc/50/26/39/556502639.db2.gz XINVQSDCTCLXGB-UHFFFAOYSA-N -1 0 448.504 4.324 50 0 IIAARM CCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000001794667 556574724 /nfs/dbraw/zinc/57/47/24/556574724.db2.gz MEAKEQFTJKCSOU-UHFFFAOYSA-N -1 0 431.539 4.375 50 0 IIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)ccc1N1CCOCC1 ZINC000032962213 556580701 /nfs/dbraw/zinc/58/07/01/556580701.db2.gz CBOQTAWEOMYYFN-UHFFFAOYSA-N -1 0 444.553 4.070 50 0 IIAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000016122778 556584394 /nfs/dbraw/zinc/58/43/94/556584394.db2.gz BIFUFARJRDGHFY-UHFFFAOYSA-N -1 0 447.301 4.010 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000016383533 556604032 /nfs/dbraw/zinc/60/40/32/556604032.db2.gz BSHKKKCEUWJOON-JKSUJKDBSA-N -1 0 428.282 4.286 50 0 IIAARM COc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCCC3)c1 ZINC000017097009 556661031 /nfs/dbraw/zinc/66/10/31/556661031.db2.gz KILQNIBTHJEJRD-UHFFFAOYSA-N -1 0 430.526 4.471 50 0 IIAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017103066 556667260 /nfs/dbraw/zinc/66/72/60/556667260.db2.gz NXZGRUAULRAGJW-VXGBXAGGSA-N -1 0 439.320 4.426 50 0 IIAARM CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000011867576 556667556 /nfs/dbraw/zinc/66/75/56/556667556.db2.gz WMONIUHNXSPZOQ-QGZVFWFLSA-N -1 0 445.537 4.010 50 0 IIAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238881991 556681975 /nfs/dbraw/zinc/68/19/75/556681975.db2.gz BRIRKFJSVSFJIQ-LNLFQRSKSA-N -1 0 449.503 4.235 50 0 biogenic IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000019631798 556832691 /nfs/dbraw/zinc/83/26/91/556832691.db2.gz FPZFWZSFRGEOFJ-KGLIPLIRSA-N -1 0 440.521 4.103 50 0 IIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000019641700 556837717 /nfs/dbraw/zinc/83/77/17/556837717.db2.gz NKEOQCWUXVQESO-QIRNKGDASA-N -1 0 444.597 4.329 50 0 IIAARM CC(=O)Nc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000033122928 556863930 /nfs/dbraw/zinc/86/39/30/556863930.db2.gz YXZDFEUUJQSWGC-UHFFFAOYSA-N -1 0 440.506 4.224 50 0 IIAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C(C)C)ccc4n3)CC2)c1C ZINC000033260661 556897394 /nfs/dbraw/zinc/89/73/94/556897394.db2.gz SEXHVZWTXCXTML-UHFFFAOYSA-N -1 0 446.551 4.471 50 0 IIAARM O=C([O-])/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000096792192 556973722 /nfs/dbraw/zinc/97/37/22/556973722.db2.gz ANJOWTJQBCGYTR-SDNWHVSQSA-N -1 0 431.457 4.177 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])c1C ZINC000046053612 557026849 /nfs/dbraw/zinc/02/68/49/557026849.db2.gz QFYJOTZCPVSOEY-UHFFFAOYSA-N -1 0 438.503 4.288 50 0 IIAARM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010818666 557030286 /nfs/dbraw/zinc/03/02/86/557030286.db2.gz KEYFKWQJEKNLKV-UHFFFAOYSA-N -1 0 442.547 4.320 50 0 IIAARM Cc1ccccc1-n1c2nc(SCC(=O)NC3CCCCC3)[n-]c(=O)c2sc1=S ZINC000032948412 557055800 /nfs/dbraw/zinc/05/58/00/557055800.db2.gz SWAYXGMLZOFORC-UHFFFAOYSA-N -1 0 446.623 4.354 50 0 IIAARM O=C(/C=C\c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000033288793 557066157 /nfs/dbraw/zinc/06/61/57/557066157.db2.gz WCXMAKLFSZOKSH-AUWJEWJLSA-N -1 0 448.479 4.222 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(-c3ccccc3)nn2)c1C ZINC000033308016 557087153 /nfs/dbraw/zinc/08/71/53/557087153.db2.gz UYSRKGRBTNYMRS-UHFFFAOYSA-N -1 0 449.536 4.064 50 0 IIAARM CCOc1ccc(S(=O)(=O)[N-]c2nc(CN3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000023425621 557092041 /nfs/dbraw/zinc/09/20/41/557092041.db2.gz LNJWNFNSRRGMQP-UHFFFAOYSA-N -1 0 446.598 4.103 50 0 IIAARM COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1CC(C)C ZINC000072191553 557100090 /nfs/dbraw/zinc/10/00/90/557100090.db2.gz PAMUXNJIXPQOIW-UHFFFAOYSA-N -1 0 440.525 4.039 50 0 IIAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000024768496 557138001 /nfs/dbraw/zinc/13/80/01/557138001.db2.gz VEDZYAWXZBIBQQ-UHFFFAOYSA-N -1 0 428.535 4.019 50 0 IIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000024379250 557145592 /nfs/dbraw/zinc/14/55/92/557145592.db2.gz FQGMPRPIQLTEOG-UHFFFAOYSA-N -1 0 436.493 4.259 50 0 IIAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)[n-]c2=O)cc1 ZINC000024747955 557161707 /nfs/dbraw/zinc/16/17/07/557161707.db2.gz QEKOMUNSEOKHJK-UHFFFAOYSA-N -1 0 431.315 4.046 50 0 IIAARM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2)nc(C)n1 ZINC000011613293 557209289 /nfs/dbraw/zinc/20/92/89/557209289.db2.gz QTOUPLKIMTVISU-UHFFFAOYSA-N -1 0 442.541 4.435 50 0 IIAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000018031738 557230644 /nfs/dbraw/zinc/23/06/44/557230644.db2.gz YZCWRZXLAXRNDP-VXNXHJTFSA-N -1 0 444.487 4.063 50 0 IIAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962199 557319486 /nfs/dbraw/zinc/31/94/86/557319486.db2.gz KHMLVZQKXNCLIU-UHFFFAOYSA-N -1 0 430.526 4.159 50 0 IIAARM COc1ccc(CC(=O)Nc2ccc3nc(N4CCC[C@H](C)C4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010303 557321055 /nfs/dbraw/zinc/32/10/55/557321055.db2.gz BMQOBYWNCUOUAY-INIZCTEOSA-N -1 0 433.508 4.359 50 0 IIAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000011695881 557393884 /nfs/dbraw/zinc/39/38/84/557393884.db2.gz BOLLGSXTCPMAID-UHFFFAOYSA-N -1 0 441.578 4.060 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914310 557513746 /nfs/dbraw/zinc/51/37/46/557513746.db2.gz CFTQTSKZXMJFTO-UHFFFAOYSA-N -1 0 430.873 4.195 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914565 557513821 /nfs/dbraw/zinc/51/38/21/557513821.db2.gz FPQWZCKAJVQJGS-UHFFFAOYSA-N -1 0 448.863 4.334 50 0 IIAARM COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000940903 562919672 /nfs/dbraw/zinc/91/96/72/562919672.db2.gz PAYXLDKRJKESQR-UHFFFAOYSA-N -1 0 437.477 4.198 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC ZINC000002976551 562931465 /nfs/dbraw/zinc/93/14/65/562931465.db2.gz FPVIIGUVSYHBAD-UHFFFAOYSA-N -1 0 430.526 4.116 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000004056336 562941305 /nfs/dbraw/zinc/94/13/05/562941305.db2.gz QBBIMTGZZXPUPY-FQEVSTJZSA-N -1 0 437.544 4.164 50 0 IIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)n1C ZINC000008604982 562956485 /nfs/dbraw/zinc/95/64/85/562956485.db2.gz KEIYMNBQMPWZPL-UHFFFAOYSA-N -1 0 437.993 4.421 50 0 IIAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000008608305 562957508 /nfs/dbraw/zinc/95/75/08/562957508.db2.gz XDAJOFCXBQJYDI-UHFFFAOYSA-N -1 0 428.388 4.358 50 0 IIAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSC(=S)N(CC)CC ZINC000009009893 562966615 /nfs/dbraw/zinc/96/66/15/562966615.db2.gz GGWFPGAJYPEHPU-UHFFFAOYSA-N -1 0 445.570 4.398 50 0 IIAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N4CCC[C@H]4C(=O)[O-])c(=O)oc12)CCCC3 ZINC000012859221 562983235 /nfs/dbraw/zinc/98/32/35/562983235.db2.gz NFWSBXVVYKGQEX-IBGZPJMESA-N -1 0 437.492 4.043 50 0 biogenic IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)no1 ZINC000000945479 568643402 /nfs/dbraw/zinc/64/34/02/568643402.db2.gz SEJIXUMZBRAPKG-UHFFFAOYSA-N -1 0 425.388 4.055 50 0 IIAARM COc1cc2c(cc1OC)CN(Cc1cc(-c3cccs3)ccc1OCC(=O)[O-])CC2 ZINC000299756128 568755294 /nfs/dbraw/zinc/75/52/94/568755294.db2.gz CLTIBSZQGIPOJV-UHFFFAOYSA-N -1 0 439.533 4.454 50 0 IIAARM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)OC1CCC(NC(=O)C(F)(F)F)CC1 ZINC000084098784 568792769 /nfs/dbraw/zinc/79/27/69/568792769.db2.gz FXKLUKSEKTYIAT-VOMCLLRMSA-N -1 0 427.341 4.006 50 0 IIAARM Cc1c(CCNS(=O)(=O)c2cccs2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000015823632 568840174 /nfs/dbraw/zinc/84/01/74/568840174.db2.gz HSEBJFNJZOZXPN-UHFFFAOYSA-N -1 0 438.987 4.002 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000006161685 568848893 /nfs/dbraw/zinc/84/88/93/568848893.db2.gz CVLUCPHMGNXIQT-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000016567369 568922245 /nfs/dbraw/zinc/92/22/45/568922245.db2.gz VVKSXLIBYQUDFY-NDENLUEZSA-N -1 0 436.899 4.195 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1 ZINC000064920443 568985404 /nfs/dbraw/zinc/98/54/04/568985404.db2.gz PHIUYOYSLGYQKR-UHFFFAOYSA-N -1 0 433.511 4.043 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1Cl ZINC000064947007 568995036 /nfs/dbraw/zinc/99/50/36/568995036.db2.gz OHIHNMDKECNLRJ-UHFFFAOYSA-N -1 0 435.933 4.269 50 0 IIAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC000036357086 569084432 /nfs/dbraw/zinc/08/44/32/569084432.db2.gz DPUJEHUPPWVFGF-XMMPIXPASA-N -1 0 438.499 4.336 50 0 IIAARM O=C(Nc1ccc(Br)cc1F)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150359 569111058 /nfs/dbraw/zinc/11/10/58/569111058.db2.gz URQLQJQJIDHEOS-UHFFFAOYSA-N -1 0 437.290 4.328 50 0 IIAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccc(OC)cc2C)c1C ZINC000065194632 569114859 /nfs/dbraw/zinc/11/48/59/569114859.db2.gz SAKDINFAICRHFQ-UHFFFAOYSA-N -1 0 430.530 4.170 50 0 IIAARM CSc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000065215724 569116885 /nfs/dbraw/zinc/11/68/85/569116885.db2.gz NERBJOBRSJGXTL-UHFFFAOYSA-N -1 0 436.558 4.469 50 0 IIAARM COc1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c(OC)c1 ZINC000065215640 569116888 /nfs/dbraw/zinc/11/68/88/569116888.db2.gz CCXQPSIZILCVKN-UHFFFAOYSA-N -1 0 436.489 4.086 50 0 IIAARM COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cc1 ZINC000524731696 569126613 /nfs/dbraw/zinc/12/66/13/569126613.db2.gz HSBCKYYUIBEAGK-QGZVFWFLSA-N -1 0 442.423 4.393 50 0 biogenic IIAARM NC(=O)c1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000170617456 569147337 /nfs/dbraw/zinc/14/73/37/569147337.db2.gz PDANBHRUVKRVAE-UHFFFAOYSA-N -1 0 442.368 4.025 50 0 IIAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1ccc(Cl)cc1 ZINC000016848475 569164231 /nfs/dbraw/zinc/16/42/31/569164231.db2.gz GRSKYJUEEGJJCE-UHFFFAOYSA-N -1 0 439.921 4.308 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)cc2c1OCO2 ZINC000066087457 569205606 /nfs/dbraw/zinc/20/56/06/569205606.db2.gz GYMAGDJXESLQSS-AWEZNQCLSA-N -1 0 440.839 4.040 50 0 IIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000066087897 569205683 /nfs/dbraw/zinc/20/56/83/569205683.db2.gz JUDLHKIGAXIEKL-CQSZACIVSA-N -1 0 444.365 4.397 50 0 IIAARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)/C=C(\C)C(=O)[O-] ZINC000019928000 569257242 /nfs/dbraw/zinc/25/72/42/569257242.db2.gz QJRIOUHTBKTVPW-VQHVLOKHSA-N -1 0 429.372 4.315 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1cccc2nsnc21 ZINC000002339720 569275069 /nfs/dbraw/zinc/27/50/69/569275069.db2.gz SCFQZNGWTNRKIG-UHFFFAOYSA-N -1 0 434.506 4.179 50 0 IIAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2noc3ccc(C(F)(F)F)cc23)cc1Cl ZINC000328593923 569317452 /nfs/dbraw/zinc/31/74/52/569317452.db2.gz ACVJKGNVKCRRLP-UHFFFAOYSA-N -1 0 434.779 4.087 50 0 IIAARM COc1ccc(CNC(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)cc1 ZINC000020643766 569374776 /nfs/dbraw/zinc/37/47/76/569374776.db2.gz KQAJQLHBWNMOLJ-UHFFFAOYSA-N -1 0 437.565 4.190 50 0 IIAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)ccc1O ZINC000096115123 569383143 /nfs/dbraw/zinc/38/31/43/569383143.db2.gz YEGUFAVHZFFLEF-OAHLLOKOSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM O=C([O-])c1ccccc1SCC(=O)N1C[C@@H](c2ccccc2)Oc2ccccc2C1=O ZINC000096592530 569401864 /nfs/dbraw/zinc/40/18/64/569401864.db2.gz MCGCJDPUSHKCAW-FQEVSTJZSA-N -1 0 433.485 4.280 50 0 IIAARM CCN(CCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)c1cccc(C)c1 ZINC000002976064 569433548 /nfs/dbraw/zinc/43/35/48/569433548.db2.gz CUEGPQOLOOOLBP-UHFFFAOYSA-N -1 0 438.597 4.121 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000003010250 569435357 /nfs/dbraw/zinc/43/53/57/569435357.db2.gz JSMBCFBJFBNLQN-WBVHZDCISA-N -1 0 447.601 4.332 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c2cc1OCC ZINC000003010253 569435367 /nfs/dbraw/zinc/43/53/67/569435367.db2.gz JSMBCFBJFBNLQN-RDJZCZTQSA-N -1 0 447.601 4.332 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003306130 569445236 /nfs/dbraw/zinc/44/52/36/569445236.db2.gz GDFWMDIUZRSNKT-UHFFFAOYSA-N -1 0 436.898 4.183 50 0 IIAARM O=C(NCCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631203 569455406 /nfs/dbraw/zinc/45/54/06/569455406.db2.gz LXFFIZWDOQDWLZ-UHFFFAOYSA-N -1 0 429.545 4.274 50 0 IIAARM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1OC(F)(F)F ZINC000031722805 569457108 /nfs/dbraw/zinc/45/71/08/569457108.db2.gz YFCDESIMXTVJGE-UHFFFAOYSA-N -1 0 449.472 4.102 50 0 IIAARM Cc1conc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc(OCC(C)C)cc2)cc1 ZINC000008723796 569471871 /nfs/dbraw/zinc/47/18/71/569471871.db2.gz YDNKZEAYARDLBN-UHFFFAOYSA-N -1 0 444.513 4.463 50 0 IIAARM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc1O2 ZINC000008961454 569491052 /nfs/dbraw/zinc/49/10/52/569491052.db2.gz ZRCQOULHEIPXFK-UHFFFAOYSA-N -1 0 430.432 4.456 50 0 IIAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(Br)ccc2OCC)cc1C ZINC000009128349 569505367 /nfs/dbraw/zinc/50/53/67/569505367.db2.gz YCBKJNDAUYGSNZ-UHFFFAOYSA-N -1 0 448.360 4.195 50 0 IIAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(Br)cc2C[C@H]1C ZINC000040454542 569506498 /nfs/dbraw/zinc/50/64/98/569506498.db2.gz IYKHZTVKTMNPJD-CYBMUJFWSA-N -1 0 437.359 4.164 50 0 IIAARM COc1ccc(-c2nc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)sc2C)cc1 ZINC000009283019 569518818 /nfs/dbraw/zinc/51/88/18/569518818.db2.gz JKCPNPXHPAFACX-BTYIYWSLSA-N -1 0 434.583 4.264 50 0 IIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCCC1 ZINC000009283045 569518820 /nfs/dbraw/zinc/51/88/20/569518820.db2.gz BOAZNKJXROPWOS-UHFFFAOYSA-N -1 0 432.851 4.396 50 0 IIAARM COc1ccc(NC(=O)Nc2ccccc2OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009285122 569519186 /nfs/dbraw/zinc/51/91/86/569519186.db2.gz NCZLVNKSBQXYFS-UHFFFAOYSA-N -1 0 445.472 4.288 50 0 IIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(C)cc1C ZINC000009300219 569520582 /nfs/dbraw/zinc/52/05/82/569520582.db2.gz ZFYDXCWVPQTJHM-UHFFFAOYSA-N -1 0 430.913 4.316 50 0 IIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009646574 569556353 /nfs/dbraw/zinc/55/63/53/569556353.db2.gz WAPZALWNARVCKX-UHFFFAOYSA-N -1 0 426.313 4.251 50 0 IIAARM CC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C ZINC000009714709 569562818 /nfs/dbraw/zinc/56/28/18/569562818.db2.gz ICDSWEFUNNCWGL-UHFFFAOYSA-N -1 0 449.941 4.361 50 0 IIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000010272793 569580217 /nfs/dbraw/zinc/58/02/17/569580217.db2.gz HECUCDOXPRZTOT-UHFFFAOYSA-N -1 0 431.413 4.387 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2oc1=O ZINC000006273338 193894967 /nfs/dbraw/zinc/89/49/67/193894967.db2.gz APBCLCVESHCFRS-FQEVSTJZSA-N -1 0 431.529 4.219 50 0 IIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)sc2c1 ZINC000035479738 521306314 /nfs/dbraw/zinc/30/63/14/521306314.db2.gz NMKVQKAQKHAUNX-UHFFFAOYSA-N -1 0 436.540 4.224 50 0 IIAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000020981929 521748875 /nfs/dbraw/zinc/74/88/75/521748875.db2.gz REZLWUVWXFZACA-UHFFFAOYSA-N -1 0 436.411 4.064 50 0 IIAARM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990498 523845208 /nfs/dbraw/zinc/84/52/08/523845208.db2.gz JECJHBDSNBRDDE-UHFFFAOYSA-N -1 0 428.510 4.067 50 0 IIAARM COc1ccc(CC(=O)Nc2ccc3nc(N4CCC[C@@H](C)C4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010302 523910202 /nfs/dbraw/zinc/91/02/02/523910202.db2.gz BMQOBYWNCUOUAY-MRXNPFEDSA-N -1 0 433.508 4.359 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2C)ccc1N1CCCCC1 ZINC000012536047 524642317 /nfs/dbraw/zinc/64/23/17/524642317.db2.gz YZJUKWVZMNPALU-FUHWJXTLSA-N -1 0 443.569 4.081 50 0 IIAARM Cc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000021931792 525254276 /nfs/dbraw/zinc/25/42/76/525254276.db2.gz VYXUSFBJDJLBHG-UHFFFAOYSA-N -1 0 446.326 4.206 50 0 IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)n1C ZINC000021030389 525569165 /nfs/dbraw/zinc/56/91/65/525569165.db2.gz PCCSUVORBPVRJB-UHFFFAOYSA-N -1 0 431.602 4.240 50 0 IIAARM C[C@@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1)C(=O)[O-] ZINC000012550623 525574652 /nfs/dbraw/zinc/57/46/52/525574652.db2.gz WIEHRRKJZZBBMB-MRXNPFEDSA-N -1 0 432.501 4.320 50 0 IIAARM Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020602670 526293882 /nfs/dbraw/zinc/29/38/82/526293882.db2.gz PREDJWIAEKWFRX-UHFFFAOYSA-N -1 0 445.479 4.025 50 0 IIAARM Cc1oc2cc(OCC(=O)NCCCCCC(=O)[O-])ccc2c(=O)c1Oc1ccccc1 ZINC000011865714 526779445 /nfs/dbraw/zinc/77/94/45/526779445.db2.gz ATBANCPUQUEUMA-UHFFFAOYSA-N -1 0 439.464 4.034 50 0 IIAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3SCc3ccccc3)cc2oc1=O ZINC000012521381 527105218 /nfs/dbraw/zinc/10/52/18/527105218.db2.gz RJTMIYHBFRUACQ-UHFFFAOYSA-N -1 0 426.519 4.225 50 0 IIAARM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000021357178 527115370 /nfs/dbraw/zinc/11/53/70/527115370.db2.gz XDBLPIPGCKTGEF-UHFFFAOYSA-N -1 0 427.476 4.438 50 0 IIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(Br)cc1 ZINC000012561026 527245356 /nfs/dbraw/zinc/24/53/56/527245356.db2.gz KPKANMBJNRUDIU-UHFFFAOYSA-N -1 0 446.248 4.454 50 0 IIAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000041091082 527648558 /nfs/dbraw/zinc/64/85/58/527648558.db2.gz LVTRVDMOFYWPFQ-JOCHJYFZSA-N -1 0 426.538 4.190 50 0 IIAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000676840 555535223 /nfs/dbraw/zinc/53/52/23/555535223.db2.gz LVELBPNWOUGWAI-OAHLLOKOSA-N -1 0 443.525 4.315 50 0 IIAARM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000000968279 555591179 /nfs/dbraw/zinc/59/11/79/555591179.db2.gz GXPHKUHSUJUWKP-DVECYGJZSA-N -1 0 441.549 4.374 50 0 world IIAARM CC(C)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001167267 555664780 /nfs/dbraw/zinc/66/47/80/555664780.db2.gz KXZHPQQTBDBJLN-UHFFFAOYSA-N -1 0 431.539 4.231 50 0 IIAARM O=S(=O)([N-]c1ccc(I)cn1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001426207 555695919 /nfs/dbraw/zinc/69/59/19/555695919.db2.gz XDYNVAVWSRULSN-UHFFFAOYSA-N -1 0 448.285 4.058 50 0 IIAARM CCOC(=O)[C@]([N-]c1ccc(F)cc1F)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002327985 555768965 /nfs/dbraw/zinc/76/89/65/555768965.db2.gz CBNLCGXRIDCODQ-KRWDZBQOSA-N -1 0 436.764 4.282 50 0 IIAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000003105048 555887677 /nfs/dbraw/zinc/88/76/77/555887677.db2.gz HXSXUJSROFOSDB-UHFFFAOYSA-N -1 0 445.322 4.398 50 0 IIAARM O=C(CCc1nnc(-c2ccc(OCc3ccccc3)cc2)[n-]c1=O)NCc1ccccc1 ZINC000034762653 555904335 /nfs/dbraw/zinc/90/43/35/555904335.db2.gz JXZWZKYJNPUPQT-UHFFFAOYSA-N -1 0 440.503 4.072 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000004006236 555952455 /nfs/dbraw/zinc/95/24/55/555952455.db2.gz LYWNFHJMMWOUOL-UHFFFAOYSA-N -1 0 440.569 4.049 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1Cl ZINC000006267786 556082952 /nfs/dbraw/zinc/08/29/52/556082952.db2.gz GJXFORSIMDWISM-UHFFFAOYSA-N -1 0 430.913 4.079 50 0 IIAARM CCCCNC(=O)[N-]S(=O)(=O)c1cnccc1Sc1c(Cl)cccc1Cl ZINC000006486156 556090975 /nfs/dbraw/zinc/09/09/75/556090975.db2.gz GFKOTQMRNHCVLM-UHFFFAOYSA-N -1 0 434.370 4.328 50 0 IIAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000002790845 556140488 /nfs/dbraw/zinc/14/04/88/556140488.db2.gz MVQVJHNYBGOKEE-UHFFFAOYSA-N -1 0 445.859 4.034 50 0 IIAARM O=C(CCCCCn1c(=S)[n-]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12 ZINC000002970198 556151898 /nfs/dbraw/zinc/15/18/98/556151898.db2.gz LLFIHSWZMQQIOW-UHFFFAOYSA-N -1 0 434.565 4.460 50 0 biogenic IIAARM CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000008384778 556160543 /nfs/dbraw/zinc/16/05/43/556160543.db2.gz VYLWURKNALKGKY-FQEVSTJZSA-N -1 0 438.509 4.397 50 0 IIAARM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000008396022 556163292 /nfs/dbraw/zinc/16/32/92/556163292.db2.gz YVEXZWIEXXRZRO-VCBXAZPMSA-N -1 0 449.868 4.286 50 0 IIAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1Cl ZINC000008443177 556178042 /nfs/dbraw/zinc/17/80/42/556178042.db2.gz MNICPKYMSKCYEN-JQBYJRRVSA-N -1 0 429.859 4.435 50 0 IIAARM Cc1c([O-])nc(SCC(=O)Nc2ccc3c4c(cccc42)CC3)n(-c2ccccc2)c1=O ZINC000008830407 556225178 /nfs/dbraw/zinc/22/51/78/556225178.db2.gz BYDRJNYFXVGDND-UHFFFAOYSA-N -1 0 443.528 4.229 50 0 IIAARM CC(C)(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000008915425 556232597 /nfs/dbraw/zinc/23/25/97/556232597.db2.gz TZBXUEJPCZJCPS-VCBZYWHSSA-N -1 0 426.460 4.150 50 0 IIAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1CSc1nnc(C)s1 ZINC000009009711 556240515 /nfs/dbraw/zinc/24/05/15/556240515.db2.gz LNDZTNGTWBLJGI-UHFFFAOYSA-N -1 0 444.567 4.459 50 0 IIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000009242725 556266707 /nfs/dbraw/zinc/26/67/07/556266707.db2.gz UALNQTBBZSTOLZ-WDXRGRCHSA-N -1 0 427.932 4.279 50 0 IIAARM COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)CCC(=O)[O-] ZINC000009368615 556285831 /nfs/dbraw/zinc/28/58/31/556285831.db2.gz WJPLXRUTKRWWBO-KRWDZBQOSA-N -1 0 431.286 4.000 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)c1 ZINC000028813784 556461759 /nfs/dbraw/zinc/46/17/59/556461759.db2.gz RAZLWEZOJMVHEU-UHFFFAOYSA-N -1 0 448.591 4.392 50 0 IIAARM COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] ZINC000015016250 556485499 /nfs/dbraw/zinc/48/54/99/556485499.db2.gz RHLOLFNATCNKJE-UZUQRXQVSA-N -1 0 436.489 4.462 50 0 IIAARM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1NC(=O)c1cccnc1 ZINC000030521368 556496576 /nfs/dbraw/zinc/49/65/76/556496576.db2.gz JDRBFGARPXMMLA-UHFFFAOYSA-N -1 0 425.485 4.096 50 0 IIAARM COc1ccc(Cn2nnnc2SCc2c(C(=O)[O-])sc3cccc(F)c32)cc1 ZINC000013407021 556504967 /nfs/dbraw/zinc/50/49/67/556504967.db2.gz GYNIILRARJHFAB-UHFFFAOYSA-N -1 0 430.486 4.074 50 0 IIAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc4cc(C)c5ccccc5n43)c12 ZINC000013416496 556505134 /nfs/dbraw/zinc/50/51/34/556505134.db2.gz VOGCHSICQIZIIW-UHFFFAOYSA-N -1 0 436.518 4.393 50 0 IIAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000013551876 556515253 /nfs/dbraw/zinc/51/52/53/556515253.db2.gz YTNADSUKBUYZHU-WZONZLPQSA-N -1 0 431.448 4.039 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1Cl ZINC000015686117 556572105 /nfs/dbraw/zinc/57/21/05/556572105.db2.gz HRGCDNZDSSCRQV-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000016096399 556582453 /nfs/dbraw/zinc/58/24/53/556582453.db2.gz KISKENJIWONDIH-UHFFFAOYSA-N -1 0 444.896 4.164 50 0 IIAARM Cc1ccc(SCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000016310990 556599642 /nfs/dbraw/zinc/59/96/42/556599642.db2.gz HCKRLHYJEZKKLS-UHFFFAOYSA-N -1 0 426.563 4.318 50 0 IIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1/C=C/c1ccccc1 ZINC000016319879 556600091 /nfs/dbraw/zinc/60/00/91/556600091.db2.gz VSOMDUOOXSHWEX-PMQIGOLDSA-N -1 0 427.298 4.332 50 0 IIAARM O=C([O-])C1CCN(C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 ZINC000016685178 556625412 /nfs/dbraw/zinc/62/54/12/556625412.db2.gz ZKBFRTDSQHUXIN-UHFFFAOYSA-N -1 0 443.956 4.153 50 0 IIAARM O=C([O-])[C@@H](Cc1c[nH]c2ncccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000040566543 556645042 /nfs/dbraw/zinc/64/50/42/556645042.db2.gz SEWQKWXKJVYKOO-JOCHJYFZSA-N -1 0 427.460 4.097 50 0 IIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000017097511 556661721 /nfs/dbraw/zinc/66/17/21/556661721.db2.gz ZXECJYSADASNSH-HOTGVXAUSA-N -1 0 431.510 4.348 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017098110 556662828 /nfs/dbraw/zinc/66/28/28/556662828.db2.gz FPNWZPLAVVKTCI-VKYMVXLJSA-N -1 0 432.586 4.367 50 0 IIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017102403 556666778 /nfs/dbraw/zinc/66/67/78/556666778.db2.gz FHJZVGCDWRDORB-FUICEZJUSA-N -1 0 438.549 4.383 50 0 IIAARM CC(C)c1noc2ncc(C(=O)[N-]n3cnc4scc(-c5ccccc5)c4c3=O)cc21 ZINC000011150819 556734709 /nfs/dbraw/zinc/73/47/09/556734709.db2.gz SLXYCWMFNYYYHL-UHFFFAOYSA-N -1 0 431.477 4.169 50 0 IIAARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)ccc2cc(Br)ccc21 ZINC000034222038 556806092 /nfs/dbraw/zinc/80/60/92/556806092.db2.gz ACAKTFTWQUHEJK-YVLHZVERSA-N -1 0 443.684 4.423 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000019631808 556832742 /nfs/dbraw/zinc/83/27/42/556832742.db2.gz FPZFWZSFRGEOFJ-UONOGXRCSA-N -1 0 440.521 4.103 50 0 IIAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000019645925 556840267 /nfs/dbraw/zinc/84/02/67/556840267.db2.gz QIHYRUKHIDHGLC-CABCVRRESA-N -1 0 447.509 4.048 50 0 IIAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000033170637 556886118 /nfs/dbraw/zinc/88/61/18/556886118.db2.gz IBAFHVLRTSXRHS-NTMALXAHSA-N -1 0 445.472 4.060 50 0 IIAARM CC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)s1 ZINC000033306442 557084929 /nfs/dbraw/zinc/08/49/29/557084929.db2.gz GSEDOKGLLQQQNR-VQHVLOKHSA-N -1 0 445.522 4.177 50 0 IIAARM CC(C)OCCCNC(=O)CCCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000004793249 557125475 /nfs/dbraw/zinc/12/54/75/557125475.db2.gz ZYJJGQOMRVTPAQ-UHFFFAOYSA-N -1 0 433.599 4.375 50 0 IIAARM O=C(Nc1ccc(F)cc1Cl)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723064 557294818 /nfs/dbraw/zinc/29/48/18/557294818.db2.gz AUIJPHSNXNEWAQ-UHFFFAOYSA-N -1 0 427.794 4.275 50 0 IIAARM O=C(Cn1nc2c3cc(F)ccc3[nH]cc-2c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000101800958 557298961 /nfs/dbraw/zinc/29/89/61/557298961.db2.gz OPACHOLIOZEPGW-UHFFFAOYSA-N -1 0 428.423 4.400 50 0 IIAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3CC)cnn21 ZINC000101835439 557301935 /nfs/dbraw/zinc/30/19/35/557301935.db2.gz ITLSCGAQXYZPGM-FQEVSTJZSA-N -1 0 432.480 4.080 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)cc1 ZINC000101835997 557302376 /nfs/dbraw/zinc/30/23/76/557302376.db2.gz OPYOHCSXWRMLLX-LJQANCHMSA-N -1 0 438.871 4.171 50 0 IIAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn21 ZINC000101836476 557302918 /nfs/dbraw/zinc/30/29/18/557302918.db2.gz NNFPBUDULVFYRF-HXUWFJFHSA-N -1 0 432.480 4.134 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nccn1-c1ccc(C)cc1C)c1nc(C)cs1 ZINC000103076043 557418346 /nfs/dbraw/zinc/41/83/46/557418346.db2.gz LMYFNLCFWAPBJL-SFHVURJKSA-N -1 0 429.567 4.262 50 0 IIAARM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)sc1Br ZINC000225529314 557737137 /nfs/dbraw/zinc/73/71/37/557737137.db2.gz RZJPSOSVMPJSTL-UHFFFAOYSA-N -1 0 437.331 4.201 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2C)ccc1Cl ZINC000018833897 557862195 /nfs/dbraw/zinc/86/21/95/557862195.db2.gz ZUDPICWTZVYEMQ-UHFFFAOYSA-N -1 0 444.940 4.388 50 0 IIAARM COc1ccc2cc(C(=O)NCc3ccccc3)/c(=N/c3ccc(C(=O)[O-])cc3)oc2c1 ZINC000013139691 562985195 /nfs/dbraw/zinc/98/51/95/562985195.db2.gz JLQPJDWXUYQTIE-PNHLSOANSA-N -1 0 428.444 4.302 50 0 IIAARM C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000004063138 568760116 /nfs/dbraw/zinc/76/01/16/568760116.db2.gz KLRNMIUKAXHHFS-OCIQGIMZSA-N -1 0 432.557 4.192 50 0 biogenic IIAARM Cc1nn(CCC(=O)[O-])c(C)c1[C@@H]1CC(=O)Nc2cccc3c2c1cn3Cc1ccccc1 ZINC000263587066 568760221 /nfs/dbraw/zinc/76/02/21/568760221.db2.gz BPYZLOWHVXKYRI-LJQANCHMSA-N -1 0 442.519 4.452 50 0 IIAARM COc1ccc(C=C2N[C@@H](c3ccccc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000001408283 568787543 /nfs/dbraw/zinc/78/75/43/568787543.db2.gz AHBKUZIHMROGOD-POEBIKTISA-N -1 0 430.460 4.078 50 0 IIAARM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc(N2CCCC2)n1 ZINC000015671343 568802975 /nfs/dbraw/zinc/80/29/75/568802975.db2.gz DTRFGZBPIQIXJU-UHFFFAOYSA-N -1 0 427.505 4.069 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)oc4C)c=3c2=O)cc1 ZINC000015733686 568816034 /nfs/dbraw/zinc/81/60/34/568816034.db2.gz IHKHJQPOIHVCLG-NHCUHLMSSA-N -1 0 429.480 4.014 50 0 IIAARM O=S(=O)([N-]c1ccc(-c2nnnn2C2CC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000012812382 568819055 /nfs/dbraw/zinc/81/90/55/568819055.db2.gz OIZYILPRCPTIEL-UHFFFAOYSA-N -1 0 443.838 4.148 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000015781880 568826192 /nfs/dbraw/zinc/82/61/92/568826192.db2.gz VGJVIAWLGLIFPT-GOSISDBHSA-N -1 0 434.439 4.368 50 0 IIAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000001184437 568839564 /nfs/dbraw/zinc/83/95/64/568839564.db2.gz FCWWGUYLDIXRDR-CQSZACIVSA-N -1 0 429.803 4.481 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000239038576 568910465 /nfs/dbraw/zinc/91/04/65/568910465.db2.gz DMPXRHLEUQSPJJ-VNQPRFMTSA-N -1 0 430.570 4.151 50 0 IIAARM COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000000716663 568924654 /nfs/dbraw/zinc/92/46/54/568924654.db2.gz SVSLGDPKEWSYGI-XMMPIXPASA-N -1 0 433.460 4.089 50 0 biogenic IIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589616 568935010 /nfs/dbraw/zinc/93/50/10/568935010.db2.gz DBGDOYPDEDQJMU-UHFFFAOYSA-N -1 0 447.510 4.407 50 0 IIAARM COC(=O)c1c2c(sc1[N-]C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)CCCC2 ZINC000002050105 568940327 /nfs/dbraw/zinc/94/03/27/568940327.db2.gz IUHBGLFKWCHFCQ-UHFFFAOYSA-N -1 0 446.413 4.419 50 0 IIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000064670175 568943628 /nfs/dbraw/zinc/94/36/28/568943628.db2.gz DVUOFAZTNVCBPI-UHFFFAOYSA-N -1 0 434.539 4.335 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1Cl ZINC000064920153 568985438 /nfs/dbraw/zinc/98/54/38/568985438.db2.gz FVNDNSORTBVAJW-UHFFFAOYSA-N -1 0 441.918 4.147 50 0 IIAARM O=S(=O)([N-][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1c(F)cccc1F ZINC000036390904 569097586 /nfs/dbraw/zinc/09/75/86/569097586.db2.gz BGIZILKRIZGZOM-LJQANCHMSA-N -1 0 431.439 4.173 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000065116118 569107195 /nfs/dbraw/zinc/10/71/95/569107195.db2.gz XXJSRGQCKLMMGE-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(Br)cc4)c([O-])c23)C1 ZINC000065150462 569111040 /nfs/dbraw/zinc/11/10/40/569111040.db2.gz YKQDHLZBVYADLB-VIFPVBQESA-N -1 0 433.327 4.435 50 0 IIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)c(C)n2CC)o1 ZINC000065186606 569114747 /nfs/dbraw/zinc/11/47/47/569114747.db2.gz QPVDJWWOCCAFPA-UHFFFAOYSA-N -1 0 438.937 4.200 50 0 IIAARM O=C1CCc2cc(S(=O)(=O)[N-]c3sc(C4CC4)nc3-c3ccccc3)ccc2N1 ZINC000089851076 569166255 /nfs/dbraw/zinc/16/62/55/569166255.db2.gz SXUKDPIDEJLZEZ-UHFFFAOYSA-N -1 0 425.535 4.373 50 0 IIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12 ZINC000002124737 569183898 /nfs/dbraw/zinc/18/38/98/569183898.db2.gz TYUNJMKJUOKPLE-IBGZPJMESA-N -1 0 427.497 4.221 50 0 biogenic IIAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002154431 569187375 /nfs/dbraw/zinc/18/73/75/569187375.db2.gz DTUXLDCBQQFSPW-GTJPDFRWSA-N -1 0 439.508 4.193 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCC(=O)[O-])occ3-c1ccccc1 ZINC000002156550 569187591 /nfs/dbraw/zinc/18/75/91/569187591.db2.gz WJKSGRQJLJMZDA-UHFFFAOYSA-N -1 0 433.460 4.428 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(=O)[O-])CC1)occ3C(C)(C)C ZINC000002159451 569187709 /nfs/dbraw/zinc/18/77/09/569187709.db2.gz YZXINPIFTNSSDI-UHFFFAOYSA-N -1 0 439.508 4.401 50 0 biogenic IIAARM O=C1N=C(c2ccc(Cl)cc2)N=NC(c2ccc(Cl)cc2)=N[C@]1([O-])C(F)(F)F ZINC000252597776 569193427 /nfs/dbraw/zinc/19/34/27/569193427.db2.gz CVICYHQIGRXZTF-MRXNPFEDSA-N -1 0 429.185 4.430 50 0 IIAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000002265875 569216125 /nfs/dbraw/zinc/21/61/25/569216125.db2.gz WKMFWCUPADQFMZ-UHFFFAOYSA-N -1 0 448.504 4.351 50 0 IIAARM CCOC(=O)[C@]([N-]c1ccccc1Cl)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000002275426 569217817 /nfs/dbraw/zinc/21/78/17/569217817.db2.gz NKIRUZDAVCPLQT-SFHVURJKSA-N -1 0 430.810 4.012 50 0 IIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000002372916 569289250 /nfs/dbraw/zinc/28/92/50/569289250.db2.gz SJWYPWNBAFOEGH-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(C)=O)c2)cc1 ZINC000002412374 569301063 /nfs/dbraw/zinc/30/10/63/569301063.db2.gz VJLVUKRCHOGJAD-UHFFFAOYSA-N -1 0 448.504 4.385 50 0 IIAARM O=C([O-])c1ccccc1SCc1cc(=O)n2nc(-c3ccccc3Cl)sc2n1 ZINC000013367522 569314468 /nfs/dbraw/zinc/31/44/68/569314468.db2.gz HVLQUWMUXLFDON-UHFFFAOYSA-N -1 0 429.910 4.462 50 0 IIAARM O=S(=O)([N-]c1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1OC(F)(F)F ZINC000095453636 569368258 /nfs/dbraw/zinc/36/82/58/569368258.db2.gz NJOWRYAZQADFLS-UHFFFAOYSA-N -1 0 425.310 4.281 50 0 IIAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c2ccccc2oc1C(=O)c1ccco1 ZINC000095945404 569375961 /nfs/dbraw/zinc/37/59/61/569375961.db2.gz DKCHFUAOAKGWRL-UHFFFAOYSA-N -1 0 427.482 4.452 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(C)cc3)[C@H]2C(=O)[O-])cc1OC ZINC000096318976 569393928 /nfs/dbraw/zinc/39/39/28/569393928.db2.gz XKIJYWAZUACIJH-KURKYZTESA-N -1 0 443.546 4.442 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000096361089 569397663 /nfs/dbraw/zinc/39/76/63/569397663.db2.gz SWVTYVPVTPOCSW-UHFFFAOYSA-N -1 0 425.297 4.078 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1Cl ZINC000003453045 569451705 /nfs/dbraw/zinc/45/17/05/569451705.db2.gz CHJPTGKSHYNKPP-UHFFFAOYSA-N -1 0 442.665 4.199 50 0 IIAARM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1OC ZINC000031812677 569457745 /nfs/dbraw/zinc/45/77/45/569457745.db2.gz TUOWSASHWBESQR-QFIPXVFZSA-N -1 0 449.532 4.493 50 0 IIAARM Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000032090074 569459542 /nfs/dbraw/zinc/45/95/42/569459542.db2.gz BLDVOIFTTZYECG-NRFANRHFSA-N -1 0 435.915 4.021 50 0 IIAARM O=C([O-])/C(=C/C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1ccccc1 ZINC000008438849 569464339 /nfs/dbraw/zinc/46/43/39/569464339.db2.gz REEHGYWJPUSMOA-LYBHJNIJSA-N -1 0 427.504 4.120 50 0 IIAARM CCCCc1c([O-])nc(SCC(=O)N2CCCCC2)n(-c2ccc(C)c(C)c2)c1=O ZINC000008694358 569470066 /nfs/dbraw/zinc/47/00/66/569470066.db2.gz LVMOSXCKTREQLL-UHFFFAOYSA-N -1 0 429.586 4.002 50 0 IIAARM O=C(NCc1nc2ccccc2s1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040142783 569491882 /nfs/dbraw/zinc/49/18/82/569491882.db2.gz WNQFOXAQLPZPNT-UHFFFAOYSA-N -1 0 429.548 4.089 50 0 IIAARM COc1ccc(C(=O)Nc2nc(C)cs2)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000040150872 569493202 /nfs/dbraw/zinc/49/32/02/569493202.db2.gz FFWZYFHPRUFVNX-UHFFFAOYSA-N -1 0 431.539 4.130 50 0 IIAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1OC ZINC000040267799 569497488 /nfs/dbraw/zinc/49/74/88/569497488.db2.gz PQUQBSCXFUQNJJ-OAHLLOKOSA-N -1 0 440.427 4.464 50 0 IIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c1OC ZINC000040283830 569497896 /nfs/dbraw/zinc/49/78/96/569497896.db2.gz GPQCTDKNUPGYIG-OAHLLOKOSA-N -1 0 440.427 4.464 50 0 IIAARM Cc1cc(C)nc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1 ZINC000040283846 569497953 /nfs/dbraw/zinc/49/79/53/569497953.db2.gz ARIPSCNBIBVUGB-QFIPXVFZSA-N -1 0 439.441 4.253 50 0 IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(CC)cc3)cc21 ZINC000040450280 569506274 /nfs/dbraw/zinc/50/62/74/569506274.db2.gz UKZHSAHARRBLDY-UHFFFAOYSA-N -1 0 437.359 4.111 50 0 IIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000009116156 569502915 /nfs/dbraw/zinc/50/29/15/569502915.db2.gz VRFYFNSZIGHCCU-UHFFFAOYSA-N -1 0 426.338 4.483 50 0 IIAARM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc21 ZINC000040450215 569506256 /nfs/dbraw/zinc/50/62/56/569506256.db2.gz MDIMYXACSVTTTH-UHFFFAOYSA-N -1 0 443.750 4.121 50 0 IIAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2OCC(C)(C)C1=O ZINC000009167655 569509004 /nfs/dbraw/zinc/50/90/04/569509004.db2.gz ZRPILYMVDYWMDL-UHFFFAOYSA-N -1 0 446.569 4.274 50 0 IIAARM CC(C)CN1c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2OCC(C)(C)C1=O ZINC000009172444 569509578 /nfs/dbraw/zinc/50/95/78/569509578.db2.gz ZKLFUXIZVFYDQD-UHFFFAOYSA-N -1 0 438.496 4.173 50 0 IIAARM Cc1nc2sc3c(c2c([N-]S(=O)(=O)c2ccc(Br)s2)n1)CCC3 ZINC000009223905 569513061 /nfs/dbraw/zinc/51/30/61/569513061.db2.gz LVOXCYLDQRJKBJ-UHFFFAOYSA-N -1 0 430.374 4.113 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C)cc2)c1 ZINC000009363966 569525924 /nfs/dbraw/zinc/52/59/24/569525924.db2.gz IPHWORITSXKXQZ-UHFFFAOYSA-N -1 0 438.549 4.385 50 0 IIAARM CCOC(=O)c1[n-]nc(-c2cc(CC)c(O)cc2O)c1-c1nnc(-c2ccccc2)s1 ZINC000009509545 569542560 /nfs/dbraw/zinc/54/25/60/569542560.db2.gz AAVLBPPZLYQIDG-UHFFFAOYSA-N -1 0 436.493 4.413 50 0 IIAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000009646444 569556259 /nfs/dbraw/zinc/55/62/59/569556259.db2.gz NXTUUVIZUDTJDO-UHFFFAOYSA-N -1 0 429.878 4.290 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)cc1 ZINC000010273725 569580290 /nfs/dbraw/zinc/58/02/90/569580290.db2.gz ZQFGLDHDDDFFBE-WOJBJXKFSA-N -1 0 449.898 4.359 50 0 IIAARM COc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2OC(F)F)cc1 ZINC000010515734 569582624 /nfs/dbraw/zinc/58/26/24/569582624.db2.gz STMNKPHGPGQDHH-UHFFFAOYSA-N -1 0 449.431 4.463 50 0 IIAARM O=C([O-])c1ccc(N2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)nc1 ZINC000328596973 569587876 /nfs/dbraw/zinc/58/78/76/569587876.db2.gz BYWRMTCLZSWKSX-UHFFFAOYSA-N -1 0 443.503 4.241 50 0 IIAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1Cl ZINC000009109037 132302991 /nfs/dbraw/zinc/30/29/91/132302991.db2.gz VOUKCSHUPLLTMQ-XMMPIXPASA-N -1 0 433.895 4.063 50 0 IIAARM CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000012541821 521182700 /nfs/dbraw/zinc/18/27/00/521182700.db2.gz YFPRWRUYRSPJGX-UHFFFAOYSA-N -1 0 438.505 4.197 50 0 IIAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)[n-]c1=O ZINC000035377969 521227258 /nfs/dbraw/zinc/22/72/58/521227258.db2.gz HPHWWFFCHOFEFB-AWEZNQCLSA-N -1 0 437.525 4.020 50 0 IIAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccccc2)[n-]c1=O ZINC000035378000 521228525 /nfs/dbraw/zinc/22/85/25/521228525.db2.gz OAHZANLPRHASEY-KRWDZBQOSA-N -1 0 437.525 4.102 50 0 IIAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020578024 521397825 /nfs/dbraw/zinc/39/78/25/521397825.db2.gz BKFKQVYGIQFIOC-UHFFFAOYSA-N -1 0 438.855 4.292 50 0 IIAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022798408 521695726 /nfs/dbraw/zinc/69/57/26/521695726.db2.gz BAXTXDZRTFRHQJ-KRWDZBQOSA-N -1 0 443.960 4.137 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000012414865 522439203 /nfs/dbraw/zinc/43/92/03/522439203.db2.gz SCHFDGKAHKPGBS-UHFFFAOYSA-N -1 0 447.534 4.328 50 0 IIAARM CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(C)c1 ZINC000035377878 522927442 /nfs/dbraw/zinc/92/74/42/522927442.db2.gz GNBBHQKDJZIQIK-SFHVURJKSA-N -1 0 437.525 4.020 50 0 IIAARM COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000012471011 523383140 /nfs/dbraw/zinc/38/31/40/523383140.db2.gz OKRZUYMOXMGIKI-JCMHNJIXSA-N -1 0 430.460 4.111 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c(OC)c1 ZINC000020977462 524690320 /nfs/dbraw/zinc/69/03/20/524690320.db2.gz XPJMRKVIGXALJT-UHFFFAOYSA-N -1 0 434.417 4.240 50 0 IIAARM COc1ccc(OCc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000021702615 524977716 /nfs/dbraw/zinc/97/77/16/524977716.db2.gz SZCQLLAXVPIIOV-UHFFFAOYSA-N -1 0 443.506 4.187 50 0 IIAARM Cc1cc(NC(=O)NC2CCCC2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021357862 525187167 /nfs/dbraw/zinc/18/71/67/525187167.db2.gz CIGKRJCXEULDEX-UHFFFAOYSA-N -1 0 430.555 4.470 50 0 IIAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1 ZINC000022903232 525354370 /nfs/dbraw/zinc/35/43/70/525354370.db2.gz PHUVGLLRKLXJMZ-MRXNPFEDSA-N -1 0 448.500 4.085 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012783540 525463804 /nfs/dbraw/zinc/46/38/04/525463804.db2.gz PPAOWUCDTZFXQX-IBGZPJMESA-N -1 0 429.492 4.038 50 0 IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)n1C ZINC000021030315 525569006 /nfs/dbraw/zinc/56/90/06/525569006.db2.gz OBJSILHCFMPRKY-UHFFFAOYSA-N -1 0 437.993 4.277 50 0 IIAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1C ZINC000012775143 525675344 /nfs/dbraw/zinc/67/53/44/525675344.db2.gz JRIWDRWEAZPOFS-HUUCEWRRSA-N -1 0 444.597 4.279 50 0 IIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1N1CCCCCC1 ZINC000035397446 526352962 /nfs/dbraw/zinc/35/29/62/526352962.db2.gz LASNAIPRDLVMNR-UHFFFAOYSA-N -1 0 444.340 4.268 50 0 IIAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012552553 526981789 /nfs/dbraw/zinc/98/17/89/526981789.db2.gz GYJKBNORIUONGB-UHFFFAOYSA-N -1 0 429.723 4.030 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000022626771 527206325 /nfs/dbraw/zinc/20/63/25/527206325.db2.gz FLWIYWUOZRZPMI-FCHSOHFDSA-N -1 0 427.357 4.310 50 0 IIAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627173 527206964 /nfs/dbraw/zinc/20/69/64/527206964.db2.gz HSXWXYCWHNWTTD-FQEVSTJZSA-N -1 0 437.544 4.164 50 0 IIAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 ZINC000008432463 527633184 /nfs/dbraw/zinc/63/31/84/527633184.db2.gz YQYBODGKAYCYPA-LBPRGKRZSA-N -1 0 443.668 4.217 50 0 IIAARM CC(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000645494 555520329 /nfs/dbraw/zinc/52/03/29/555520329.db2.gz ANHTYHMKKWPQBA-UHFFFAOYSA-N -1 0 425.510 4.023 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000000671901 555531632 /nfs/dbraw/zinc/53/16/32/555531632.db2.gz MNXLRWJQEIGACI-UHFFFAOYSA-N -1 0 431.905 4.192 50 0 IIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)sc2c1 ZINC000001192706 555676155 /nfs/dbraw/zinc/67/61/55/555676155.db2.gz GZEUAHBREOWIAS-UHFFFAOYSA-N -1 0 425.491 4.215 50 0 IIAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 ZINC000002557137 555787283 /nfs/dbraw/zinc/78/72/83/555787283.db2.gz CBZSVHFNEMONDZ-QHCPKHFHSA-N -1 0 445.471 4.112 50 0 IIAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002856795 555842068 /nfs/dbraw/zinc/84/20/68/555842068.db2.gz UBXMUBVCYOXKPJ-UHFFFAOYSA-N -1 0 431.505 4.183 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000002887892 555858633 /nfs/dbraw/zinc/85/86/33/555858633.db2.gz BVIMHUZGQGYSHV-UHFFFAOYSA-N -1 0 438.296 4.228 50 0 IIAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 ZINC000008432464 556171753 /nfs/dbraw/zinc/17/17/53/556171753.db2.gz YQYBODGKAYCYPA-GFCCVEGCSA-N -1 0 443.668 4.217 50 0 IIAARM Cc1ccccc1-n1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000008432677 556172066 /nfs/dbraw/zinc/17/20/66/556172066.db2.gz UECXPGDFTFJOFE-BBRMVZONSA-N -1 0 444.578 4.418 50 0 IIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)NCc1ccco1 ZINC000008746756 556210045 /nfs/dbraw/zinc/21/00/45/556210045.db2.gz TZZFPTSPLPWHHP-UHFFFAOYSA-N -1 0 439.320 4.246 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1)occ3-c1ccccc1 ZINC000008764436 556212002 /nfs/dbraw/zinc/21/20/02/556212002.db2.gz HRIBDGCNTYJMTA-QGZVFWFLSA-N -1 0 445.471 4.380 50 0 biogenic IIAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000009271720 556271015 /nfs/dbraw/zinc/27/10/15/556271015.db2.gz BKWXATTZNILTJR-BQYQJAHWSA-N -1 0 442.928 4.450 50 0 IIAARM COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000009295705 556274824 /nfs/dbraw/zinc/27/48/24/556274824.db2.gz YQZZSPWOZSBZBV-MFOYZWKCSA-N -1 0 433.869 4.049 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N4CCCCCC4)cc3s2)cc1 ZINC000013692604 556282364 /nfs/dbraw/zinc/28/23/64/556282364.db2.gz ZDIPXUWVNYIWPT-UHFFFAOYSA-N -1 0 445.566 4.122 50 0 IIAARM Cc1cccc(OCC(=O)Nc2cc(NC(=O)COc3cccc(C)c3)cc(C(=O)[O-])c2)c1 ZINC000009425584 556290006 /nfs/dbraw/zinc/29/00/06/556290006.db2.gz VSYZDFLBXSVRGI-UHFFFAOYSA-N -1 0 448.475 4.037 50 0 IIAARM CC(C)n1nccc1NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000032778465 556351346 /nfs/dbraw/zinc/35/13/46/556351346.db2.gz RNKDMIVSWPSYKJ-UHFFFAOYSA-N -1 0 445.357 4.121 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCc3cc(C)no3)nc2c1 ZINC000032823690 556408337 /nfs/dbraw/zinc/40/83/37/556408337.db2.gz NJMVXRJURJZULD-UHFFFAOYSA-N -1 0 431.495 4.226 50 0 IIAARM COc1ccc(CCNc2nnc(SCc3cc(C(=O)[O-])c(C)o3)s2)cc1OC ZINC000012997730 556431845 /nfs/dbraw/zinc/43/18/45/556431845.db2.gz RMQYHPMTCSHTNL-UHFFFAOYSA-N -1 0 435.527 4.102 50 0 IIAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2sc(-c3ccccc3)nc2C)cc1OC ZINC000013257183 556500972 /nfs/dbraw/zinc/50/09/72/556500972.db2.gz IXOPWKCGAGDEKP-INIZCTEOSA-N -1 0 426.494 4.082 50 0 IIAARM O=C1[C@@H]([N-]c2nc(Cc3ccc(F)cc3)no2)CCCN1c1ccc(OC(F)F)cc1 ZINC000072301699 556525475 /nfs/dbraw/zinc/52/54/75/556525475.db2.gz CXCBGNCPOMCEBN-KRWDZBQOSA-N -1 0 432.402 4.008 50 0 IIAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1 ZINC000013615630 556535360 /nfs/dbraw/zinc/53/53/60/556535360.db2.gz QMDWAAKCBIHWQV-GFCCVEGCSA-N -1 0 443.668 4.217 50 0 IIAARM O=C([O-])c1ccc(NC(=O)CCCN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 ZINC000013659167 556546669 /nfs/dbraw/zinc/54/66/69/556546669.db2.gz NMHDSRSSYCCXAU-DURWOYGOSA-N -1 0 436.489 4.396 50 0 IIAARM CC(=O)Nc1ccc(-c2c3c(C)nn(-c4ccccc4)c3[nH]c3nc(=S)[n-]c(=O)c2-3)cc1 ZINC000013681107 556556845 /nfs/dbraw/zinc/55/68/45/556556845.db2.gz YTKSWUAQQRYEIW-UHFFFAOYSA-N -1 0 442.504 4.253 50 0 IIAARM Cc1nn(-c2ccccc2)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(F)(F)F ZINC000072307497 556562523 /nfs/dbraw/zinc/56/25/23/556562523.db2.gz NULWWOXKFZZASN-GOSISDBHSA-N -1 0 427.423 4.210 50 0 IIAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1Cl ZINC000032962102 556580276 /nfs/dbraw/zinc/58/02/76/556580276.db2.gz IBFLHHAGKUHXDL-UHFFFAOYSA-N -1 0 438.933 4.228 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(C)cc3)[C@@H]2C(=O)[O-])cc1OC ZINC000109794963 556580689 /nfs/dbraw/zinc/58/06/89/556580689.db2.gz XKIJYWAZUACIJH-BZSNNMDCSA-N -1 0 443.546 4.442 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)s1 ZINC000033794406 556636308 /nfs/dbraw/zinc/63/63/08/556636308.db2.gz HFVJYXGPQIJCHC-UHFFFAOYSA-N -1 0 444.582 4.451 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)cc1 ZINC000100700503 556653614 /nfs/dbraw/zinc/65/36/14/556653614.db2.gz ZQFGLDHDDDFFBE-PMACEKPBSA-N -1 0 449.898 4.359 50 0 IIAARM Cc1nn(Cc2ccccc2C)c(C)c1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000017098762 556663814 /nfs/dbraw/zinc/66/38/14/556663814.db2.gz ISBSISKAAOVWDR-UHFFFAOYSA-N -1 0 434.359 4.420 50 0 IIAARM CC(C)COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1Cl ZINC000060318264 556664945 /nfs/dbraw/zinc/66/49/45/556664945.db2.gz KWVMLQQQCOFTKW-UHFFFAOYSA-N -1 0 448.324 4.292 50 0 IIAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000017167682 556671189 /nfs/dbraw/zinc/67/11/89/556671189.db2.gz VKNFXBHTWSKDPT-HIPMGEKLSA-N -1 0 447.896 4.437 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000019641717 556837708 /nfs/dbraw/zinc/83/77/08/556837708.db2.gz COGSIPNZUBGEDC-CBXSGWRZSA-N -1 0 444.597 4.231 50 0 IIAARM CC1(C)c2cc(S(=O)(=O)[N-]c3cc(-c4ccc5ccccc5c4)[nH]n3)ccc2NC1=O ZINC000097117227 556991451 /nfs/dbraw/zinc/99/14/51/556991451.db2.gz DFSYKCABPCZNJI-UHFFFAOYSA-N -1 0 432.505 4.260 50 0 IIAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])C1 ZINC000046053339 557026449 /nfs/dbraw/zinc/02/64/49/557026449.db2.gz VEYWVCMDOOAVTH-HNNXBMFYSA-N -1 0 430.888 4.070 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])c1C ZINC000046053613 557026722 /nfs/dbraw/zinc/02/67/22/557026722.db2.gz UILSIZANSMNWDI-UHFFFAOYSA-N -1 0 434.540 4.458 50 0 IIAARM O=C([O-])c1ccc(Cl)c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000018007915 557156116 /nfs/dbraw/zinc/15/61/16/557156116.db2.gz ZETCSPNBXGJGCI-JQBYJRRVSA-N -1 0 429.859 4.435 50 0 IIAARM COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000101041616 557214991 /nfs/dbraw/zinc/21/49/91/557214991.db2.gz ADWLDFXLYJEDMV-VXNXHJTFSA-N -1 0 444.487 4.063 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098071677 557233005 /nfs/dbraw/zinc/23/30/05/557233005.db2.gz HUQOJKZKDYMFBF-UHFFFAOYSA-N -1 0 440.237 4.286 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C)c(Cl)c3)c(=O)c1=2 ZINC000018115435 557237873 /nfs/dbraw/zinc/23/78/73/557237873.db2.gz GOHPDIHITQMBML-WOJBJXKFSA-N -1 0 449.898 4.414 50 0 IIAARM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccccc3)C2=C1[O-] ZINC000018127714 557242109 /nfs/dbraw/zinc/24/21/09/557242109.db2.gz SDQDUDLLPQLWKJ-IFMALSPDSA-N -1 0 443.890 4.266 50 0 IIAARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=C(NCc1ccccc1)Nc1ccccc1 ZINC000101382464 557281880 /nfs/dbraw/zinc/28/18/80/557281880.db2.gz LGPHEJXGTWFQGG-MRCUWXFGSA-N -1 0 446.894 4.036 50 0 IIAARM CC(C)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494724 557288524 /nfs/dbraw/zinc/28/85/24/557288524.db2.gz GTGIEOAHUHCSNR-FQEVSTJZSA-N -1 0 435.549 4.271 50 0 IIAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4ccccc4C)cc3C(=O)[O-])CC2)c1 ZINC000033078547 557324158 /nfs/dbraw/zinc/32/41/58/557324158.db2.gz DIVSQZOBRJVTDG-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253309 557327676 /nfs/dbraw/zinc/32/76/76/557327676.db2.gz HNHXGFDEHMANRY-UHFFFAOYSA-N -1 0 428.485 4.351 50 0 IIAARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C\c3ccc4c(c3)OCO4)cc2)cc1 ZINC000033291076 557330198 /nfs/dbraw/zinc/33/01/98/557330198.db2.gz KCBOPLBDOPKNNV-ACAGNQJTSA-N -1 0 436.489 4.176 50 0 IIAARM CC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000011695901 557393523 /nfs/dbraw/zinc/39/35/23/557393523.db2.gz CLGRMSCWYLKAMY-INIZCTEOSA-N -1 0 443.594 4.225 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc(C)cs1 ZINC000103035015 557415977 /nfs/dbraw/zinc/41/59/77/557415977.db2.gz LEEPUOUFTGJQMR-HNNXBMFYSA-N -1 0 448.595 4.115 50 0 IIAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc1Cl ZINC000101301823 557456024 /nfs/dbraw/zinc/45/60/24/557456024.db2.gz HQWFCSKUAACVLZ-UHFFFAOYSA-N -1 0 435.867 4.065 50 0 IIAARM Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942028 557551781 /nfs/dbraw/zinc/55/17/81/557551781.db2.gz UVFGCPFJUXVRJD-HSZRJFAPSA-N -1 0 443.455 4.475 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)n1 ZINC000000841140 557681757 /nfs/dbraw/zinc/68/17/57/557681757.db2.gz XFUUTASJGNQPSY-UHFFFAOYSA-N -1 0 438.538 4.156 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3C)cc2)c1C ZINC000001772543 562924602 /nfs/dbraw/zinc/92/46/02/562924602.db2.gz VFGNKVYEJJBEHY-UHFFFAOYSA-N -1 0 443.525 4.198 50 0 IIAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002103368 562925846 /nfs/dbraw/zinc/92/58/46/562925846.db2.gz HBFBIDWOAUFXJU-FQEVSTJZSA-N -1 0 433.460 4.427 50 0 biogenic IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000008609810 562957956 /nfs/dbraw/zinc/95/79/56/562957956.db2.gz AZVSEOOEHSWCGO-UHFFFAOYSA-N -1 0 444.944 4.207 50 0 IIAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000009493904 562972206 /nfs/dbraw/zinc/97/22/06/562972206.db2.gz BJUNOWCSYLKBKX-UHFFFAOYSA-N -1 0 426.494 4.033 50 0 IIAARM CCc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000009587346 562973609 /nfs/dbraw/zinc/97/36/09/562973609.db2.gz VRKDKQYIGHMSJY-UHFFFAOYSA-N -1 0 438.549 4.331 50 0 IIAARM COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000000911333 568636608 /nfs/dbraw/zinc/63/66/08/568636608.db2.gz IUUOKPKYGYQLLM-UHFFFAOYSA-N -1 0 436.445 4.048 50 0 IIAARM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000000976093 568648066 /nfs/dbraw/zinc/64/80/66/568648066.db2.gz SAMQYNYDDCLWTA-CDDKBXLESA-N -1 0 425.868 4.183 50 0 IIAARM C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000004063136 568760078 /nfs/dbraw/zinc/76/00/78/568760078.db2.gz KLRNMIUKAXHHFS-JMYFWJLZSA-N -1 0 432.557 4.192 50 0 biogenic IIAARM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032111876 568781224 /nfs/dbraw/zinc/78/12/24/568781224.db2.gz ZRJWHAUUVJLLCA-UHFFFAOYSA-N -1 0 442.971 4.312 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)nc(C)n1 ZINC000001452695 568818820 /nfs/dbraw/zinc/81/88/20/568818820.db2.gz GHRYAPKXQKYLLM-KPKJPENVSA-N -1 0 442.928 4.200 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2)n1 ZINC000026570499 568884222 /nfs/dbraw/zinc/88/42/22/568884222.db2.gz JSXSRUHMEVNCOQ-UHFFFAOYSA-N -1 0 448.504 4.005 50 0 IIAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)c12 ZINC000012978156 568891563 /nfs/dbraw/zinc/89/15/63/568891563.db2.gz JTLVGQCTIYFRJH-UHFFFAOYSA-N -1 0 438.534 4.347 50 0 IIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](c2ccc(O)cc2)CC(=O)O3)c1=O ZINC000524730207 568903812 /nfs/dbraw/zinc/90/38/12/568903812.db2.gz ZTDPKPSBFYBSBL-INIZCTEOSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589456 568935087 /nfs/dbraw/zinc/93/50/87/568935087.db2.gz NRCVUDALIVHJMI-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000064798635 568960527 /nfs/dbraw/zinc/96/05/27/568960527.db2.gz PAMIXZCODAYLAG-MRXNPFEDSA-N -1 0 427.503 4.062 50 0 IIAARM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2)n1 ZINC000064802070 568961667 /nfs/dbraw/zinc/96/16/67/568961667.db2.gz GZWGJOOHUXBJOS-UHFFFAOYSA-N -1 0 427.530 4.078 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000064947307 568995201 /nfs/dbraw/zinc/99/52/01/568995201.db2.gz XYETVGGPNCZLKI-UHFFFAOYSA-N -1 0 433.505 4.226 50 0 IIAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(F)cc21 ZINC000036357085 569084396 /nfs/dbraw/zinc/08/43/96/569084396.db2.gz DPUJEHUPPWVFGF-DEOSSOPVSA-N -1 0 438.499 4.336 50 0 IIAARM O=S(=O)([N-]c1cccc(Br)c1)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098738 569104251 /nfs/dbraw/zinc/10/42/51/569104251.db2.gz QAVTZXFMNXXKGM-UHFFFAOYSA-N -1 0 426.317 4.239 50 0 IIAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)o1 ZINC000065098642 569104264 /nfs/dbraw/zinc/10/42/64/569104264.db2.gz PBVBPXHPFJIIFO-UHFFFAOYSA-N -1 0 432.296 4.063 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c(Cl)cc1Cl ZINC000036614789 569122333 /nfs/dbraw/zinc/12/23/33/569122333.db2.gz RDVKUOKSGZYTPD-UHFFFAOYSA-N -1 0 443.333 4.294 50 0 IIAARM Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1 ZINC000013579179 569156165 /nfs/dbraw/zinc/15/61/65/569156165.db2.gz SAIAFOMWEHUSAW-UHFFFAOYSA-N -1 0 446.459 4.049 50 0 IIAARM Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1 ZINC000017010196 569170212 /nfs/dbraw/zinc/17/02/12/569170212.db2.gz NELGONUFOPOLCV-UHFFFAOYSA-N -1 0 425.558 4.321 50 0 IIAARM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000017013980 569170875 /nfs/dbraw/zinc/17/08/75/569170875.db2.gz RQOHTHWTWZBAQK-UHFFFAOYSA-N -1 0 441.532 4.459 50 0 IIAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002104686 569180241 /nfs/dbraw/zinc/18/02/41/569180241.db2.gz SMWYRHCFQKNEBY-SFHVURJKSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002115919 569182453 /nfs/dbraw/zinc/18/24/53/569182453.db2.gz MUBOLEPVSZVZDD-GOSISDBHSA-N -1 0 427.497 4.366 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCC4CCC(C(=O)[O-])CC4)c(C)c3cc2c1C ZINC000002154949 569187441 /nfs/dbraw/zinc/18/74/41/569187441.db2.gz GCMVHJRECYVDHQ-UHFFFAOYSA-N -1 0 439.508 4.404 50 0 biogenic IIAARM O=C(NCc1ccco1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349425 569313149 /nfs/dbraw/zinc/31/31/49/569313149.db2.gz RHAGHTUMSAOUPR-UHFFFAOYSA-N -1 0 428.495 4.012 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000020331420 569360946 /nfs/dbraw/zinc/36/09/46/569360946.db2.gz KDTGZBQKCQLEIE-YOEHRIQHSA-N -1 0 442.585 4.414 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(C)cc3)[C@H]2C(=O)[O-])cc1OC ZINC000096318975 569393977 /nfs/dbraw/zinc/39/39/77/569393977.db2.gz XKIJYWAZUACIJH-KSZLIROESA-N -1 0 443.546 4.442 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)c(C)c(C)n4C)cc2)no1 ZINC000028225332 569409197 /nfs/dbraw/zinc/40/91/97/569409197.db2.gz JSXGCJCKTDVIBO-UHFFFAOYSA-N -1 0 438.509 4.145 50 0 IIAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ccn(Cc2cccc3ccccc32)n1 ZINC000002804447 569422531 /nfs/dbraw/zinc/42/25/31/569422531.db2.gz GFOTZDIJNPSQII-UHFFFAOYSA-N -1 0 431.468 4.094 50 0 IIAARM O=C1N[C@H](c2cccc(Cl)c2Cl)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000057531301 569439452 /nfs/dbraw/zinc/43/94/52/569439452.db2.gz SITGMKXFRSMUBK-NVBFEUDRSA-N -1 0 439.242 4.159 50 0 IIAARM O=C1N[C@H](c2cccc(Cl)c2Cl)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000057531299 569439472 /nfs/dbraw/zinc/43/94/72/569439472.db2.gz SITGMKXFRSMUBK-HCKVZZMMSA-N -1 0 439.242 4.159 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2C)cc1 ZINC000003137078 569440783 /nfs/dbraw/zinc/44/07/83/569440783.db2.gz BXPXZCZZYPGKHX-UHFFFAOYSA-N -1 0 447.520 4.441 50 0 IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NCCC4=CCCCC4)cc3[n-]c2=S)cc1 ZINC000003630336 569455222 /nfs/dbraw/zinc/45/52/22/569455222.db2.gz QDBSLUIFNHYXNI-UHFFFAOYSA-N -1 0 449.576 4.362 50 0 IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)N(C)Cc4ccccc4)cc3[n-]c2=S)cc1 ZINC000003630331 569455253 /nfs/dbraw/zinc/45/52/53/569455253.db2.gz JPZNJGLZTYXKCA-UHFFFAOYSA-N -1 0 445.544 4.014 50 0 IIAARM O=C(NCc1ccc(F)cc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631212 569455374 /nfs/dbraw/zinc/45/53/74/569455374.db2.gz AWZODEAECSLXNV-UHFFFAOYSA-N -1 0 433.508 4.371 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000003865011 569456703 /nfs/dbraw/zinc/45/67/03/569456703.db2.gz DHSCNEJGIWITGY-IBGZPJMESA-N -1 0 445.313 4.390 50 0 IIAARM COc1cc(OC)nc(Oc2ccc([N-]S(=O)(=O)c3ccccc3Cl)c(C)c2)n1 ZINC000004106769 569459079 /nfs/dbraw/zinc/45/90/79/569459079.db2.gz SAVDDZJWEXTXJQ-UHFFFAOYSA-N -1 0 435.889 4.049 50 0 IIAARM CCOc1ccc(N=C2S/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)N2CC)cc1 ZINC000008438860 569464330 /nfs/dbraw/zinc/46/43/30/569464330.db2.gz UGAIZPCGUTZLPJ-YDOFSLMMSA-N -1 0 426.494 4.173 50 0 IIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2C1 ZINC000038710636 569467859 /nfs/dbraw/zinc/46/78/59/569467859.db2.gz XLKCBNVAOAXGHZ-UHFFFAOYSA-N -1 0 449.557 4.296 50 0 IIAARM COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(=O)[O-])cc1 ZINC000008718260 569471242 /nfs/dbraw/zinc/47/12/42/569471242.db2.gz UWGJMJNRBJQWIE-AWEZNQCLSA-N -1 0 431.489 4.194 50 0 IIAARM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc1O2 ZINC000008961484 569491048 /nfs/dbraw/zinc/49/10/48/569491048.db2.gz WURABRQJYYUNTM-UHFFFAOYSA-N -1 0 430.432 4.456 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009002261 569496061 /nfs/dbraw/zinc/49/60/61/569496061.db2.gz BXDWVQKUDYHGSL-UHFFFAOYSA-N -1 0 447.534 4.328 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccccc2)c1 ZINC000009285160 569519158 /nfs/dbraw/zinc/51/91/58/569519158.db2.gz LFEYVGYHPYWZHK-UHFFFAOYSA-N -1 0 427.482 4.149 50 0 IIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1cc(C)ccc1C ZINC000009300222 569520560 /nfs/dbraw/zinc/52/05/60/569520560.db2.gz OZESNFNEIKGXCQ-UHFFFAOYSA-N -1 0 430.913 4.316 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)c1 ZINC000009403965 569529540 /nfs/dbraw/zinc/52/95/40/569529540.db2.gz GKFKYCDUIZZYHR-UHFFFAOYSA-N -1 0 427.507 4.176 50 0 IIAARM Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2c1 ZINC000009409300 569531037 /nfs/dbraw/zinc/53/10/37/569531037.db2.gz SMSFSCBSYYBNSR-UHFFFAOYSA-N -1 0 427.507 4.180 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccsc3)ccc2Cl)cc1 ZINC000009444323 569535751 /nfs/dbraw/zinc/53/57/51/569535751.db2.gz RPMAIFVXTPKJRU-UHFFFAOYSA-N -1 0 436.942 4.392 50 0 IIAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000009507458 569542012 /nfs/dbraw/zinc/54/20/12/569542012.db2.gz IETPRYVEBNUNSV-UHFFFAOYSA-N -1 0 426.332 4.468 50 0 IIAARM O=C(CC1(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCC1)NCc1ccc(Cl)cc1 ZINC000009529616 569544921 /nfs/dbraw/zinc/54/49/21/569544921.db2.gz NZESYQBQXKRGQP-UHFFFAOYSA-N -1 0 445.972 4.319 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1 ZINC000009540616 569545838 /nfs/dbraw/zinc/54/58/38/569545838.db2.gz CSMXTULSAUSPAZ-UHFFFAOYSA-N -1 0 432.523 4.209 50 0 IIAARM CCCCN(C)C(=O)C(=C([O-])c1cc(Cl)ccc1Cl)n1cc(Cl)ccc1=O ZINC000009601549 569551623 /nfs/dbraw/zinc/55/16/23/569551623.db2.gz IJPFWMWYRNACAD-KRWDZBQOSA-N -1 0 429.731 4.491 50 0 IIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009646510 569556232 /nfs/dbraw/zinc/55/62/32/569556232.db2.gz MMNCHJLHMRYOTJ-UHFFFAOYSA-N -1 0 439.486 4.035 50 0 IIAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c(OC)c1 ZINC000009686866 569560754 /nfs/dbraw/zinc/56/07/54/569560754.db2.gz DWZWEAVMHHGSCJ-UHFFFAOYSA-N -1 0 427.935 4.226 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(F)cc2)c1 ZINC000009689968 569560913 /nfs/dbraw/zinc/56/09/13/569560913.db2.gz YOTFMTSXFADWCD-UHFFFAOYSA-N -1 0 445.472 4.288 50 0 IIAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000006142087 193881894 /nfs/dbraw/zinc/88/18/94/193881894.db2.gz OZBPVMCJZLVYJH-GYCJOSAFSA-N -1 0 443.455 4.169 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)NCCC(C)C)c(=O)c2cc1OCC ZINC000020644761 520786581 /nfs/dbraw/zinc/78/65/81/520786581.db2.gz JRJXCUAOPQMREU-UHFFFAOYSA-N -1 0 435.590 4.189 50 0 IIAARM CCOc1ccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397525 521213345 /nfs/dbraw/zinc/21/33/45/521213345.db2.gz TZOYJVGJYDGYEK-UHFFFAOYSA-N -1 0 449.573 4.098 50 0 IIAARM CCc1ccc(S(=O)(=O)Nc2cnc(N(CC)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000021883344 524018137 /nfs/dbraw/zinc/01/81/37/524018137.db2.gz SYRMUIKUCPUQPU-UHFFFAOYSA-N -1 0 439.537 4.170 50 0 IIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000021757264 524253121 /nfs/dbraw/zinc/25/31/21/524253121.db2.gz VXNUJWUEUHPFIG-UHFFFAOYSA-N -1 0 444.944 4.207 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1OC(F)F ZINC000012536153 524682361 /nfs/dbraw/zinc/68/23/61/524682361.db2.gz MFYRZLFNGSUEBG-UHFFFAOYSA-N -1 0 444.200 4.138 50 0 IIAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C[C@@H](C)O1 ZINC000022852238 525059107 /nfs/dbraw/zinc/05/91/07/525059107.db2.gz KXNMHBIKBMTJCN-XNJGSVPQSA-N -1 0 428.489 4.094 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NCc4ccco4)ccc3s2)cc1 ZINC000013347596 525618093 /nfs/dbraw/zinc/61/80/93/525618093.db2.gz NTFLXTFIAAAACM-UHFFFAOYSA-N -1 0 442.522 4.320 50 0 IIAARM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(Cl)s4)c3)cn2n1 ZINC000012441347 525656094 /nfs/dbraw/zinc/65/60/94/525656094.db2.gz HZTXRHRTZMCAKI-UHFFFAOYSA-N -1 0 434.930 4.229 50 0 IIAARM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000020982464 525669418 /nfs/dbraw/zinc/66/94/18/525669418.db2.gz LYLNHOFLRKYBNF-MRXNPFEDSA-N -1 0 442.566 4.014 50 0 IIAARM Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022609294 525785843 /nfs/dbraw/zinc/78/58/43/525785843.db2.gz BYEJSMRLTRQUJD-IBGZPJMESA-N -1 0 439.972 4.370 50 0 IIAARM O=C(c1ccccc1)C1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1 ZINC000014413797 526789577 /nfs/dbraw/zinc/78/95/77/526789577.db2.gz NSSDQHXAZLZKIT-UHFFFAOYSA-N -1 0 443.425 4.332 50 0 IIAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3Cl)cc2oc1=O ZINC000012605153 527104631 /nfs/dbraw/zinc/10/46/31/527104631.db2.gz JCZIDXFGMVTOMQ-UHFFFAOYSA-N -1 0 430.869 4.378 50 0 IIAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022627043 527205282 /nfs/dbraw/zinc/20/52/82/527205282.db2.gz SSMJMSJHTVKCSI-OAQYLSRUSA-N -1 0 433.581 4.020 50 0 IIAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627238 527206646 /nfs/dbraw/zinc/20/66/46/527206646.db2.gz CMWQAJQGESCECM-FQEVSTJZSA-N -1 0 437.544 4.164 50 0 IIAARM CCOc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2 ZINC000000709600 555546437 /nfs/dbraw/zinc/54/64/37/555546437.db2.gz BYUNIXCXMTZCHJ-UHFFFAOYSA-N -1 0 430.526 4.471 50 0 IIAARM Cc1c(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000799497 555558946 /nfs/dbraw/zinc/55/89/46/555558946.db2.gz GDRRXNWIFUIMIR-UHFFFAOYSA-N -1 0 427.460 4.102 50 0 IIAARM CCOC(=O)[C@@]([N-]c1ccc(F)cc1F)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002327983 555768935 /nfs/dbraw/zinc/76/89/35/555768935.db2.gz CBNLCGXRIDCODQ-QGZVFWFLSA-N -1 0 436.764 4.282 50 0 IIAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002555010 555787302 /nfs/dbraw/zinc/78/73/02/555787302.db2.gz RCQRXYWDDVULAP-FQEVSTJZSA-N -1 0 425.481 4.100 50 0 IIAARM COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000002882906 555856572 /nfs/dbraw/zinc/85/65/72/555856572.db2.gz BAZGEEIWLXTWKB-UHFFFAOYSA-N -1 0 444.896 4.180 50 0 IIAARM COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000003326601 555921083 /nfs/dbraw/zinc/92/10/83/555921083.db2.gz MIDOOKBEQZGTSZ-UHFFFAOYSA-N -1 0 431.897 4.442 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1 ZINC000003434406 555933955 /nfs/dbraw/zinc/93/39/55/555933955.db2.gz PFHYEAXTESGQKE-UHFFFAOYSA-N -1 0 440.403 4.447 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000003864270 555949616 /nfs/dbraw/zinc/94/96/16/555949616.db2.gz RFCNSIJLGGXDMA-HOTGVXAUSA-N -1 0 431.510 4.430 50 0 IIAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1CSc1nccc(C)n1 ZINC000006599997 556096771 /nfs/dbraw/zinc/09/67/71/556096771.db2.gz MOOMFALCAZGADS-UHFFFAOYSA-N -1 0 438.538 4.397 50 0 IIAARM COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc(=O)c3sccc3[n-]1)CC2 ZINC000012983806 556425980 /nfs/dbraw/zinc/42/59/80/556425980.db2.gz AJEVZIQFJXBNGC-HXUWFJFHSA-N -1 0 439.562 4.211 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(Br)c(C)c1 ZINC000013017719 556438637 /nfs/dbraw/zinc/43/86/37/556438637.db2.gz ABTSIJDNSFILLH-UHFFFAOYSA-N -1 0 432.293 4.255 50 0 IIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)c1Cl ZINC000028255082 556447021 /nfs/dbraw/zinc/44/70/21/556447021.db2.gz SNTQKCGYLPCZOF-UHFFFAOYSA-N -1 0 441.336 4.060 50 0 IIAARM O=C1CCCN1Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000030531169 556497078 /nfs/dbraw/zinc/49/70/78/556497078.db2.gz WWPBNPYTBHUYEB-UHFFFAOYSA-N -1 0 432.851 4.282 50 0 IIAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000013551870 556515251 /nfs/dbraw/zinc/51/52/51/556515251.db2.gz YTNADSUKBUYZHU-FDDCHVKYSA-N -1 0 431.448 4.039 50 0 IIAARM O=C(NCCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000015869573 556560236 /nfs/dbraw/zinc/56/02/36/556560236.db2.gz ULMTYDMOCVPQJS-UHFFFAOYSA-N -1 0 440.590 4.330 50 0 IIAARM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000000805466 556573493 /nfs/dbraw/zinc/57/34/93/556573493.db2.gz UONCILGSUURYSI-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N1CCc2ccccc2C1 ZINC000016448287 556608412 /nfs/dbraw/zinc/60/84/12/556608412.db2.gz IDDRYTUZNWDDME-UHFFFAOYSA-N -1 0 426.925 4.339 50 0 IIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017094943 556658071 /nfs/dbraw/zinc/65/80/71/556658071.db2.gz NOAJHLYENAKRDD-DLBZAZTESA-N -1 0 426.538 4.445 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017102474 556666721 /nfs/dbraw/zinc/66/67/21/556666721.db2.gz GNJFAGZTGDIDKU-IAGOWNOFSA-N -1 0 438.549 4.162 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000136636874 556690944 /nfs/dbraw/zinc/69/09/44/556690944.db2.gz KUSNJMJTTHZZMZ-PWRODBHTSA-N -1 0 448.862 4.089 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013696233 556712158 /nfs/dbraw/zinc/71/21/58/556712158.db2.gz SOZRODNGIVVRNO-UHFFFAOYSA-N -1 0 442.562 4.377 50 0 IIAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003195251 556804354 /nfs/dbraw/zinc/80/43/54/556804354.db2.gz LWQMFLIXHONWQW-UHFFFAOYSA-N -1 0 444.534 4.411 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCC3)c1 ZINC000019636240 556835277 /nfs/dbraw/zinc/83/52/77/556835277.db2.gz ACOFFNWXKATAPN-JKSUJKDBSA-N -1 0 442.537 4.327 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000019636259 556835294 /nfs/dbraw/zinc/83/52/94/556835294.db2.gz CIHSSMSITUMPGT-ZIAGYGMSSA-N -1 0 442.537 4.327 50 0 IIAARM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)no1 ZINC000033086440 556857022 /nfs/dbraw/zinc/85/70/22/556857022.db2.gz GFQIVHPYEXPTBF-UHFFFAOYSA-N -1 0 437.905 4.079 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053562 557026484 /nfs/dbraw/zinc/02/64/84/557026484.db2.gz LBOSQCWHYXVWMD-UHFFFAOYSA-N -1 0 438.503 4.196 50 0 IIAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(OC)nn2)cc1 ZINC000017315628 557056587 /nfs/dbraw/zinc/05/65/87/557056587.db2.gz ADESBWVNRBONTC-UHFFFAOYSA-N -1 0 427.526 4.475 50 0 IIAARM O=C([O-])/C(=C\C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1ccccc1 ZINC000033330660 557114002 /nfs/dbraw/zinc/11/40/02/557114002.db2.gz REEHGYWJPUSMOA-CLCOLTQESA-N -1 0 427.504 4.120 50 0 IIAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)n(C)c1=S ZINC000101495461 557289273 /nfs/dbraw/zinc/28/92/73/557289273.db2.gz GTKFIHPOKLGUCB-KRWDZBQOSA-N -1 0 425.535 4.222 50 0 IIAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)[n-]c2=O)cc1 ZINC000031843797 557294457 /nfs/dbraw/zinc/29/44/57/557294457.db2.gz DGJLTSRKWCIZEF-UHFFFAOYSA-N -1 0 436.415 4.002 50 0 IIAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4CC)cnn32)cc1 ZINC000101835413 557301980 /nfs/dbraw/zinc/30/19/80/557301980.db2.gz LGWYFFNWEBFEGJ-NRFANRHFSA-N -1 0 432.480 4.080 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccccc2Cl)C1 ZINC000101835982 557302518 /nfs/dbraw/zinc/30/25/18/557302518.db2.gz WHRABFDKKFSODN-QGZVFWFLSA-N -1 0 429.263 4.426 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000102479005 557324082 /nfs/dbraw/zinc/32/40/82/557324082.db2.gz FARSVUZCPSEHSA-LEWJYISDSA-N -1 0 429.480 4.069 50 0 IIAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000011695877 557393871 /nfs/dbraw/zinc/39/38/71/557393871.db2.gz PBFBWKUVMUZLGD-UHFFFAOYSA-N -1 0 441.578 4.014 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(Cl)cc1Cl ZINC000004030508 557457516 /nfs/dbraw/zinc/45/75/16/557457516.db2.gz HQVIBQJKJZQRFB-UHFFFAOYSA-N -1 0 425.087 4.255 50 0 IIAARM O=C1N[C@H](c2cccc(Cl)c2Cl)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000106213497 557523277 /nfs/dbraw/zinc/52/32/77/557523277.db2.gz SITGMKXFRSMUBK-JVLSTEMRSA-N -1 0 439.242 4.159 50 0 IIAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1OC ZINC000044893920 557539939 /nfs/dbraw/zinc/53/99/39/557539939.db2.gz IVCPKKNYOFWHDT-HNNXBMFYSA-N -1 0 440.427 4.464 50 0 IIAARM COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941961 557551447 /nfs/dbraw/zinc/55/14/47/557551447.db2.gz LMLRUDDZNMKBKW-QHCPKHFHSA-N -1 0 445.471 4.455 50 0 IIAARM COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942041 557551756 /nfs/dbraw/zinc/55/17/56/557551756.db2.gz OHNMYZODABLNOK-QHCPKHFHSA-N -1 0 429.472 4.489 50 0 IIAARM COc1cccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000229968910 557834464 /nfs/dbraw/zinc/83/44/64/557834464.db2.gz ZAYSVDYPHSILKN-XUVXKRRUSA-N -1 0 440.908 4.461 50 0 IIAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002105374 562925848 /nfs/dbraw/zinc/92/58/48/562925848.db2.gz RYDDGFRUBWPPQT-IBGZPJMESA-N -1 0 439.508 4.337 50 0 biogenic IIAARM CC(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000006077057 562946159 /nfs/dbraw/zinc/94/61/59/562946159.db2.gz RWYDHRZWMMQRHT-UHFFFAOYSA-N -1 0 425.510 4.023 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 ZINC000008686663 562962789 /nfs/dbraw/zinc/96/27/89/562962789.db2.gz QEXWIBSUYZXMOH-UHFFFAOYSA-N -1 0 433.489 4.297 50 0 aggregator IIAARM COc1ccc(-n2c(=O)[nH]c([O-])c(C(c3ccc(F)cc3)c3ccc(F)cc3)c2=O)cc1 ZINC000001406607 568787124 /nfs/dbraw/zinc/78/71/24/568787124.db2.gz CGESBXQWWAHGAK-OAQYLSRUSA-N -1 0 436.414 4.005 50 0 IIAARM COc1ccc(C=C2N[C@H](c3ccccc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000001408281 568787511 /nfs/dbraw/zinc/78/75/11/568787511.db2.gz AHBKUZIHMROGOD-YSSBIZNGSA-N -1 0 430.460 4.078 50 0 IIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1Br)CC2 ZINC000015781992 568826209 /nfs/dbraw/zinc/82/62/09/568826209.db2.gz BMTPDNLIEUWIJV-INIZCTEOSA-N -1 0 449.301 4.072 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)no1 ZINC000006156131 568848180 /nfs/dbraw/zinc/84/81/80/568848180.db2.gz BMNGJJCCCPJFPP-AWEZNQCLSA-N -1 0 449.916 4.152 50 0 IIAARM CCCCN1C(=O)NC(=Cc2c(=O)n(-c3ccc(C)cc3)[n-]c2-c2ccccc2OC)C1=O ZINC000035829518 568928135 /nfs/dbraw/zinc/92/81/35/568928135.db2.gz BJNOKFXDEACQBY-HKWRFOASSA-N -1 0 446.507 4.255 50 0 IIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000064557765 568931935 /nfs/dbraw/zinc/93/19/35/568931935.db2.gz WCAKNGYCDJXEOE-LJQANCHMSA-N -1 0 441.892 4.377 50 0 IIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1 ZINC000064589460 568934963 /nfs/dbraw/zinc/93/49/63/568934963.db2.gz WJXADKCJEZKLAG-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC[C@@H](C(=O)[O-])C4)c(=O)oc3c2C)c1C ZINC000006624019 568942020 /nfs/dbraw/zinc/94/20/20/568942020.db2.gz VMUJMEFJQUHQBW-MRXNPFEDSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092873 568951653 /nfs/dbraw/zinc/95/16/53/568951653.db2.gz DVBCYDGDKCRHIT-JJRVBVJISA-N -1 0 442.585 4.270 50 0 IIAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000064820739 568967309 /nfs/dbraw/zinc/96/73/09/568967309.db2.gz HJSMIOIYWYLIEG-UHFFFAOYSA-N -1 0 430.888 4.070 50 0 IIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnc1N1CCCC1 ZINC000064843330 568971139 /nfs/dbraw/zinc/97/11/39/568971139.db2.gz LWZWUIOIFLRLJE-UHFFFAOYSA-N -1 0 429.542 4.229 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)c1 ZINC000065060184 569095853 /nfs/dbraw/zinc/09/58/53/569095853.db2.gz WVCWDFFBHLSRDS-UHFFFAOYSA-N -1 0 432.523 4.105 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000065115999 569106990 /nfs/dbraw/zinc/10/69/90/569106990.db2.gz FLVZUGNYQBPJFR-UHFFFAOYSA-N -1 0 443.525 4.343 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000065116165 569107205 /nfs/dbraw/zinc/10/72/05/569107205.db2.gz YZPRUHCETIORAJ-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n(-c2ccccc2)n1 ZINC000089595779 569159727 /nfs/dbraw/zinc/15/97/27/569159727.db2.gz JIXGWNWQYVSKLE-UHFFFAOYSA-N -1 0 438.534 4.295 50 0 IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCCC[C@@H]4C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002098205 569179440 /nfs/dbraw/zinc/17/94/40/569179440.db2.gz WUYWBORIAJSGPH-LJQANCHMSA-N -1 0 425.481 4.171 50 0 biogenic IIAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002103414 569179946 /nfs/dbraw/zinc/17/99/46/569179946.db2.gz QNCAEINNKYAMHG-GIPWTMENSA-N -1 0 427.497 4.321 50 0 biogenic IIAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002104687 569180202 /nfs/dbraw/zinc/18/02/02/569180202.db2.gz SMWYRHCFQKNEBY-GOSISDBHSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc1c2C ZINC000002107366 569181190 /nfs/dbraw/zinc/18/11/90/569181190.db2.gz MXDOBYPFKRBABU-OAQYLSRUSA-N -1 0 433.460 4.339 50 0 biogenic IIAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002117425 569182449 /nfs/dbraw/zinc/18/24/49/569182449.db2.gz IPIRWNMQBWYGBT-GOSISDBHSA-N -1 0 427.497 4.447 50 0 biogenic IIAARM CC(C)Cn1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012972521 569188587 /nfs/dbraw/zinc/18/85/87/569188587.db2.gz FMYYFNBIDGSMKD-UHFFFAOYSA-N -1 0 435.855 4.008 50 0 IIAARM Cc1ccccc1-n1c(=O)c2c3c(sc2nc1SCC(=O)[O-])CO[C@@H](C(C)C)C3 ZINC000002198530 569191509 /nfs/dbraw/zinc/19/15/09/569191509.db2.gz YAEWSICMIJRGFV-OAHLLOKOSA-N -1 0 430.551 4.030 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)cc2c1OCO2 ZINC000066087459 569205707 /nfs/dbraw/zinc/20/57/07/569205707.db2.gz GYMAGDJXESLQSS-CQSZACIVSA-N -1 0 440.839 4.040 50 0 IIAARM CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000002973623 569212995 /nfs/dbraw/zinc/21/29/95/569212995.db2.gz PFXSHLQAFWACQM-UHFFFAOYSA-N -1 0 446.370 4.026 50 0 IIAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002338797 569274890 /nfs/dbraw/zinc/27/48/90/569274890.db2.gz WELJRYHAJGWSMM-UHFFFAOYSA-N -1 0 448.533 4.487 50 0 IIAARM COc1cccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)cc4OC)cc(C(=O)[O-])c32)c1 ZINC000013363555 569314150 /nfs/dbraw/zinc/31/41/50/569314150.db2.gz JMERHHMCPZQKRU-UHFFFAOYSA-N -1 0 435.436 4.025 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N4CCC[C@@H](C)C4)c3=O)c2c1 ZINC000020329157 569360792 /nfs/dbraw/zinc/36/07/92/569360792.db2.gz FIVMVPKADUOXRH-OAHLLOKOSA-N -1 0 442.585 4.368 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)s1 ZINC000095951770 569376651 /nfs/dbraw/zinc/37/66/51/569376651.db2.gz BYZQYAHPGJOSJR-UHFFFAOYSA-N -1 0 436.580 4.275 50 0 IIAARM O=C(c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCC=C(F)C1 ZINC000095993434 569378441 /nfs/dbraw/zinc/37/84/41/569378441.db2.gz UKVAEDOJIJCTRA-UHFFFAOYSA-N -1 0 429.300 4.494 50 0 IIAARM COC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114798 569383086 /nfs/dbraw/zinc/38/30/86/569383086.db2.gz GKQQIQDTZCKJJY-KRWDZBQOSA-N -1 0 432.428 4.272 50 0 biogenic IIAARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1O ZINC000096116104 569383610 /nfs/dbraw/zinc/38/36/10/569383610.db2.gz WPTILOUEFDZEIH-HNNXBMFYSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM Fc1cccc(Cl)c1Cn1ccc([N-]c2nnc(CCn3cc(Cl)cn3)s2)n1 ZINC000002730970 569419248 /nfs/dbraw/zinc/41/92/48/569419248.db2.gz YCUJJUCEJJHZTE-UHFFFAOYSA-N -1 0 438.319 4.412 50 0 IIAARM C[C@H](c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc(Br)cn1 ZINC000002730834 569419273 /nfs/dbraw/zinc/41/92/73/569419273.db2.gz IQKYEEJEANMWSF-GFCCVEGCSA-N -1 0 430.335 4.095 50 0 IIAARM FC(F)(F)c1ccn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002731236 569419377 /nfs/dbraw/zinc/41/93/77/569419377.db2.gz LQPSDAKGOKOMPR-UHFFFAOYSA-N -1 0 439.854 4.444 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC ZINC000003010255 569435362 /nfs/dbraw/zinc/43/53/62/569435362.db2.gz JCPLZRYIOAYJPX-UHFFFAOYSA-N -1 0 433.574 4.039 50 0 IIAARM COc1ccc(C(=O)Nc2c(=O)[n-]n(-c3ccccc3)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000003213765 569441817 /nfs/dbraw/zinc/44/18/17/569441817.db2.gz KHAFDOFVNIWVQI-UHFFFAOYSA-N -1 0 445.475 4.111 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1C(F)(F)F ZINC000003297696 569444850 /nfs/dbraw/zinc/44/48/50/569444850.db2.gz MDXGQRONSXNGDX-UHFFFAOYSA-N -1 0 427.429 4.215 50 0 IIAARM Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000003357935 569447677 /nfs/dbraw/zinc/44/76/77/569447677.db2.gz IKHDITOKEIXKBH-UHFFFAOYSA-N -1 0 433.580 4.373 50 0 IIAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000217667992 569451250 /nfs/dbraw/zinc/45/12/50/569451250.db2.gz BTCYUKDBIVDGSX-GOSISDBHSA-N -1 0 428.396 4.305 50 0 biogenic IIAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2[n-]c1=S ZINC000003630050 569455210 /nfs/dbraw/zinc/45/52/10/569455210.db2.gz AUIIFLXDWZVZLC-UHFFFAOYSA-N -1 0 427.526 4.145 50 0 IIAARM COc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000008836399 569478081 /nfs/dbraw/zinc/47/80/81/569478081.db2.gz VIQBSZOARYWUSK-UHFFFAOYSA-N -1 0 426.523 4.113 50 0 IIAARM Cc1cc2oc(=O)c(CC(=O)NCCCC(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000008876860 569481116 /nfs/dbraw/zinc/48/11/16/569481116.db2.gz HMRVLRGJXFNEEE-UHFFFAOYSA-N -1 0 433.460 4.347 50 0 biogenic IIAARM Cc1ccc(S(=O)(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3F)c2)cc1C ZINC000039996415 569482366 /nfs/dbraw/zinc/48/23/66/569482366.db2.gz JYHFXZFQFDGUEY-UHFFFAOYSA-N -1 0 434.514 4.044 50 0 IIAARM CCOc1ccc(Oc2ccc(S(=O)(=O)Oc3ccccc3OCC(=O)[O-])cc2)cc1 ZINC000008881277 569482864 /nfs/dbraw/zinc/48/28/64/569482864.db2.gz UCBOLMZZXFLSSY-UHFFFAOYSA-N -1 0 444.461 4.109 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000009002265 569496075 /nfs/dbraw/zinc/49/60/75/569496075.db2.gz VFXGXNRGSCGFOH-UHFFFAOYSA-N -1 0 447.534 4.328 50 0 IIAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1OC ZINC000040267798 569497463 /nfs/dbraw/zinc/49/74/63/569497463.db2.gz PQUQBSCXFUQNJJ-HNNXBMFYSA-N -1 0 440.427 4.464 50 0 IIAARM CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1 ZINC000040450601 569506373 /nfs/dbraw/zinc/50/63/73/569506373.db2.gz QYGAPIAQMOAKGR-GFCCVEGCSA-N -1 0 437.359 4.110 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)no1 ZINC000009183564 569509904 /nfs/dbraw/zinc/50/99/04/569509904.db2.gz YVLBMAGZMQUMAL-UHFFFAOYSA-N -1 0 426.281 4.343 50 0 IIAARM CCN(CC)c1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000009285163 569519188 /nfs/dbraw/zinc/51/91/88/569519188.db2.gz UWTLLCYGQGOPIR-UHFFFAOYSA-N -1 0 443.525 4.188 50 0 IIAARM COc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)cc4OC)cc(C(=O)[O-])c32)cc1 ZINC000009406671 569530151 /nfs/dbraw/zinc/53/01/51/569530151.db2.gz TYGADFNSECKKNG-UHFFFAOYSA-N -1 0 435.436 4.025 50 0 IIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccc(C)cc3nc21 ZINC000009451767 569536466 /nfs/dbraw/zinc/53/64/66/569536466.db2.gz ORVMPDDUSHMNGJ-UHFFFAOYSA-N -1 0 437.525 4.062 50 0 IIAARM CCOc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000009597506 569550971 /nfs/dbraw/zinc/55/09/71/569550971.db2.gz MABSQDZFWTVFCT-UHFFFAOYSA-N -1 0 449.463 4.415 50 0 IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000009645903 569556211 /nfs/dbraw/zinc/55/62/11/569556211.db2.gz DUVFOZIALZHYMS-UHFFFAOYSA-N -1 0 447.534 4.410 50 0 IIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000009646508 569556237 /nfs/dbraw/zinc/55/62/37/569556237.db2.gz MRQJBBVDHFEAHJ-UHFFFAOYSA-N -1 0 439.486 4.035 50 0 IIAARM O=C(OCc1nc(=O)c2sccc2[n-]1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000009670930 569558427 /nfs/dbraw/zinc/55/84/27/569558427.db2.gz IHNZSQGRYXDGIJ-UHFFFAOYSA-N -1 0 446.463 4.333 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1 ZINC000009698204 569561224 /nfs/dbraw/zinc/56/12/24/569561224.db2.gz ARSLTDWRWPXDAX-UHFFFAOYSA-N -1 0 431.905 4.192 50 0 IIAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009950787 569574391 /nfs/dbraw/zinc/57/43/91/569574391.db2.gz ARFAZVINYVPZDH-UHFFFAOYSA-N -1 0 438.505 4.209 50 0 IIAARM Cc1cc(NC(=O)C2=C(C)N(c3ccccc3)C(=S)N[C@H]2c2ccc(C(=O)[O-])cc2)no1 ZINC000010353153 569581420 /nfs/dbraw/zinc/58/14/20/569581420.db2.gz YXAAJWKYXJPWAJ-FQEVSTJZSA-N -1 0 448.504 4.030 50 0 IIAARM CCOc1ccc(N(Cc2ccc(C(=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006191415 193889558 /nfs/dbraw/zinc/88/95/58/193889558.db2.gz KNSCMCLPUAYOCB-UHFFFAOYSA-N -1 0 425.506 4.487 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017095869 524623180 /nfs/dbraw/zinc/62/31/80/524623180.db2.gz VVSPUVVMCNTNNZ-HUUCEWRRSA-N -1 0 428.510 4.231 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCSc2ccccc2)cc1 ZINC000016310627 525615612 /nfs/dbraw/zinc/61/56/12/525615612.db2.gz GRLABHCITIKGME-UHFFFAOYSA-N -1 0 426.563 4.318 50 0 IIAARM Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000238900503 525868365 /nfs/dbraw/zinc/86/83/65/525868365.db2.gz IYGRDGXDYIRQGZ-DAYGRLMNSA-N -1 0 429.494 4.074 50 0 IIAARM Cc1n[nH]c(C)c1Nc1nc2cc(C)ccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000678327 555536004 /nfs/dbraw/zinc/53/60/04/555536004.db2.gz PROJTOHGMZDQLH-UHFFFAOYSA-N -1 0 442.932 4.476 50 0 IIAARM Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000000888024 555579318 /nfs/dbraw/zinc/57/93/18/555579318.db2.gz VTRLTAODKYTUNO-UHFFFAOYSA-N -1 0 446.326 4.206 50 0 IIAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(I)cc1F)c1ccccc1 ZINC000001041403 555610005 /nfs/dbraw/zinc/61/00/05/555610005.db2.gz UUFNTDCDODAKJC-LBPRGKRZSA-N -1 0 427.213 4.017 50 0 IIAARM Cc1cccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)COc2cccc(C)c2)c1 ZINC000001149948 555655888 /nfs/dbraw/zinc/65/58/88/555655888.db2.gz XDZDYHGACXUNFA-UHFFFAOYSA-N -1 0 448.475 4.037 50 0 IIAARM CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c2ccccc21 ZINC000002244311 555761829 /nfs/dbraw/zinc/76/18/29/555761829.db2.gz JCSZSNGHUWGACF-IBGZPJMESA-N -1 0 438.480 4.347 50 0 IIAARM COC(=O)C(C)(C)[C@@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000002438154 555779066 /nfs/dbraw/zinc/77/90/66/555779066.db2.gz KIDRWENGXWBOFA-IAGOWNOFSA-N -1 0 431.282 4.150 50 0 IIAARM CC1(C)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC(C)(C)N1O ZINC000002576409 555788288 /nfs/dbraw/zinc/78/82/88/555788288.db2.gz FDFQTZLNQLBAIC-UHFFFAOYSA-N -1 0 438.524 4.391 50 0 IIAARM CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3ccccc3Cl)cc2)[n-]c1=O ZINC000034763393 555905065 /nfs/dbraw/zinc/90/50/65/555905065.db2.gz CLHCUALIJWZFME-HNNXBMFYSA-N -1 0 440.931 4.324 50 0 IIAARM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000006229147 556081404 /nfs/dbraw/zinc/08/14/04/556081404.db2.gz DQUPTQLNLVRLDL-AWEZNQCLSA-N -1 0 433.580 4.372 50 0 IIAARM Cc1ccccc1-n1c(S[C@H](C)C(=O)[O-])nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000008432678 556172056 /nfs/dbraw/zinc/17/20/56/556172056.db2.gz UECXPGDFTFJOFE-CJNGLKHVSA-N -1 0 444.578 4.418 50 0 IIAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O ZINC000009082945 556245509 /nfs/dbraw/zinc/24/55/09/556245509.db2.gz WASRIFCQGFAZSZ-CQSZACIVSA-N -1 0 427.425 4.421 50 0 IIAARM COc1ccc(C(=O)[O-])cc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl ZINC000009242721 556266700 /nfs/dbraw/zinc/26/67/00/556266700.db2.gz YOEJACDHXHDMQG-UHFFFAOYSA-N -1 0 429.904 4.272 50 0 IIAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)N1CCc2ccccc21 ZINC000013693375 556282933 /nfs/dbraw/zinc/28/29/33/556282933.db2.gz MVHDHCLOSWFHEZ-UHFFFAOYSA-N -1 0 435.530 4.300 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013027893 556441056 /nfs/dbraw/zinc/44/10/56/556441056.db2.gz RMVWMINFIXUFJJ-CVEARBPZSA-N -1 0 429.494 4.206 50 0 IIAARM COc1ccc(NC(=O)c2ccc(NC(=O)C[C@](C)(C(=O)[O-])c3ccccc3)cc2)cc1 ZINC000013253106 556501019 /nfs/dbraw/zinc/50/10/19/556501019.db2.gz UZFICXNZOUKZHE-VWLOTQADSA-N -1 0 432.476 4.319 50 0 IIAARM CC1=C(C)C[C@@H](C(=O)Nc2cccc(-c3nn(C)cc3Br)c2)[C@H](C(=O)[O-])C1 ZINC000013465226 556506806 /nfs/dbraw/zinc/50/68/06/556506806.db2.gz PLPPVWULDLFIDT-HZPDHXFCSA-N -1 0 432.318 4.235 50 0 IIAARM Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3cccs3)C2)c(=O)o1 ZINC000013592928 556530933 /nfs/dbraw/zinc/53/09/33/556530933.db2.gz YEKIUSAAJMJEMC-QGZVFWFLSA-N -1 0 446.488 4.278 50 0 IIAARM Cc1cc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])ccc1N1CCCC1=O ZINC000032901220 556534327 /nfs/dbraw/zinc/53/43/27/556534327.db2.gz QPNMXVIJSMXGEO-UHFFFAOYSA-N -1 0 444.413 4.284 50 0 IIAARM CC(C)OC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C=C/C(=O)[O-] ZINC000015746594 556548113 /nfs/dbraw/zinc/54/81/13/556548113.db2.gz CTOKRQXUFVHARH-BQYQJAHWSA-N -1 0 438.299 4.322 50 0 IIAARM Cc1c([O-])nc(SCC(=O)Nc2cccc(Cl)c2C)n(-c2ccc(F)cc2)c1=O ZINC000015836754 556574227 /nfs/dbraw/zinc/57/42/27/556574227.db2.gz CWFBIXRNFXKSAK-UHFFFAOYSA-N -1 0 433.892 4.078 50 0 IIAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000032962083 556580428 /nfs/dbraw/zinc/58/04/28/556580428.db2.gz ICMUWMHULHYAHM-UHFFFAOYSA-N -1 0 438.505 4.025 50 0 IIAARM CC(=O)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000040710614 556645326 /nfs/dbraw/zinc/64/53/26/556645326.db2.gz MKHDZWYAQYTGRJ-XMMPIXPASA-N -1 0 429.472 4.424 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc4nc(C)c(C)c(=O)n34)c2)s1 ZINC000011791570 556656263 /nfs/dbraw/zinc/65/62/63/556656263.db2.gz GOOUDIPBDQRKIS-UHFFFAOYSA-N -1 0 445.591 4.465 50 0 IIAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)c(C(=O)[O-])c2)CC1 ZINC000033007445 556656488 /nfs/dbraw/zinc/65/64/88/556656488.db2.gz XOBFLHAZIRRJSN-UHFFFAOYSA-N -1 0 426.897 4.214 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017102472 556666698 /nfs/dbraw/zinc/66/66/98/556666698.db2.gz GNJFAGZTGDIDKU-IRXDYDNUSA-N -1 0 438.549 4.162 50 0 IIAARM O=C(Oc1cccc(/C=C2\C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c1)c1cccs1 ZINC000000666902 556682237 /nfs/dbraw/zinc/68/22/37/556682237.db2.gz JNUIQGKVFFMDLX-XNTDXEJSSA-N -1 0 442.855 4.221 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 ZINC000019636194 556835069 /nfs/dbraw/zinc/83/50/69/556835069.db2.gz SVIOLVAZNDIQBZ-JKSUJKDBSA-N -1 0 442.537 4.146 50 0 IIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)C1 ZINC000019636288 556835338 /nfs/dbraw/zinc/83/53/38/556835338.db2.gz DJLWLETXZADIIA-SJORKVTESA-N -1 0 442.537 4.146 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000019641852 556837827 /nfs/dbraw/zinc/83/78/27/556837827.db2.gz XPAPAWNMHPOEEQ-IKGGRYGDSA-N -1 0 444.597 4.495 50 0 IIAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000019645934 556840222 /nfs/dbraw/zinc/84/02/22/556840222.db2.gz QIHYRUKHIDHGLC-LSDHHAIUSA-N -1 0 447.509 4.048 50 0 IIAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000019645928 556840245 /nfs/dbraw/zinc/84/02/45/556840245.db2.gz QIHYRUKHIDHGLC-GJZGRUSLSA-N -1 0 447.509 4.048 50 0 IIAARM COc1ccc(/C=C/c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000033121765 556862840 /nfs/dbraw/zinc/86/28/40/556862840.db2.gz YRPAQUCNRQXVOM-PKNBQFBNSA-N -1 0 441.509 4.230 50 0 IIAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000033253472 556893770 /nfs/dbraw/zinc/89/37/70/556893770.db2.gz SNWAITVVBSZKFL-UHFFFAOYSA-N -1 0 430.913 4.475 50 0 IIAARM CCOC(=O)C1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000046053383 557026477 /nfs/dbraw/zinc/02/64/77/557026477.db2.gz OXQGKJLBOKOVII-UHFFFAOYSA-N -1 0 430.888 4.070 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000046053563 557026526 /nfs/dbraw/zinc/02/65/26/557026526.db2.gz SSHPDZBONHKSHG-UHFFFAOYSA-N -1 0 438.503 4.196 50 0 IIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000046053643 557026707 /nfs/dbraw/zinc/02/67/07/557026707.db2.gz POYUEXRFVYNUFU-UHFFFAOYSA-N -1 0 436.512 4.197 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])c1C ZINC000046053609 557026832 /nfs/dbraw/zinc/02/68/32/557026832.db2.gz DEFPLOGBVNVJLM-UHFFFAOYSA-N -1 0 434.540 4.458 50 0 IIAARM COc1cc(CSc2nnc([N-]C(=O)c3cc(-c4ccco4)on3)s2)cc(OC)c1 ZINC000048984936 557081872 /nfs/dbraw/zinc/08/18/72/557081872.db2.gz OWLXNHSVZFJVEO-UHFFFAOYSA-N -1 0 444.494 4.348 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc(OC)c1O ZINC000049548292 557112336 /nfs/dbraw/zinc/11/23/36/557112336.db2.gz DMVUVZJRAUCJSE-CQSZACIVSA-N -1 0 442.855 4.026 50 0 IIAARM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(Br)c(F)c1 ZINC000095067946 557156110 /nfs/dbraw/zinc/15/61/10/557156110.db2.gz LIGJSZBOZKNJBF-UHFFFAOYSA-N -1 0 427.064 4.291 50 0 IIAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3s2)cc1 ZINC000024838753 557172615 /nfs/dbraw/zinc/17/26/15/557172615.db2.gz OOWKLBKXKCWONK-UHFFFAOYSA-N -1 0 444.559 4.168 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc4nc(C)cc(=O)n34)cc2)s1 ZINC000011696426 557233182 /nfs/dbraw/zinc/23/31/82/557233182.db2.gz HLVRWWUFQHKKRU-UHFFFAOYSA-N -1 0 431.564 4.156 50 0 IIAARM CCn1c(=O)c(-c2nc(-c3ccccc3Br)no2)c([O-])c2cc(F)ccc21 ZINC000101725066 557294534 /nfs/dbraw/zinc/29/45/34/557294534.db2.gz YQZCOGAXRROMFR-UHFFFAOYSA-N -1 0 430.233 4.346 50 0 IIAARM Cc1oc(-c2ccccc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479222 557329982 /nfs/dbraw/zinc/32/99/82/557329982.db2.gz OLSGGIOAFNVJOI-LEWJYISDSA-N -1 0 429.480 4.267 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc(C)cs1 ZINC000103034767 557416068 /nfs/dbraw/zinc/41/60/68/557416068.db2.gz AQCVVAQIAAWNHL-CQSZACIVSA-N -1 0 437.930 4.163 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)Cc1cccs1 ZINC000045967744 557557168 /nfs/dbraw/zinc/55/71/68/557557168.db2.gz KPPPMNBRJSZWAY-UHFFFAOYSA-N -1 0 439.512 4.093 50 0 IIAARM COc1cc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)ccc1SCC(=O)[O-] ZINC000096314565 557775976 /nfs/dbraw/zinc/77/59/76/557775976.db2.gz ASQYJQNAKATSHV-ALCCZGGFSA-N -1 0 439.411 4.269 50 0 IIAARM N#C/C(=C\c1c(Cl)nc(Cl)n1-c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000096307652 557775985 /nfs/dbraw/zinc/77/59/85/557775985.db2.gz QPJXPXBVDNXVQC-JLHYYAGUSA-N -1 0 427.247 4.423 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1C ZINC000000851958 557831021 /nfs/dbraw/zinc/83/10/21/557831021.db2.gz YPIXWDJCBYIKSX-LFYBBSHMSA-N -1 0 431.901 4.398 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)s1 ZINC000000949355 562919738 /nfs/dbraw/zinc/91/97/38/562919738.db2.gz HJZPZKJJQGFFBQ-UHFFFAOYSA-N -1 0 438.534 4.307 50 0 IIAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002103315 562925839 /nfs/dbraw/zinc/92/58/39/562925839.db2.gz SLTGGNHYDOPPIP-NRFANRHFSA-N -1 0 447.487 4.127 50 0 biogenic IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002157882 562926070 /nfs/dbraw/zinc/92/60/70/562926070.db2.gz RNNYGXCVXVIJFA-UHFFFAOYSA-N -1 0 427.497 4.467 50 0 biogenic IIAARM CCOC(=O)c1c(C)c(C(=O)N2CCc3ccccc3C2)sc1[N-]C(=S)SC ZINC000003010464 562931636 /nfs/dbraw/zinc/93/16/36/562931636.db2.gz DWHBBSJHCOQGDH-UHFFFAOYSA-N -1 0 434.608 4.492 50 0 IIAARM CCCCOc1ccc(CNC(=O)[N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000006481012 562946787 /nfs/dbraw/zinc/94/67/87/562946787.db2.gz ATRQTZDFJPKIMS-UHFFFAOYSA-N -1 0 434.558 4.088 50 0 IIAARM Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000015881337 563018273 /nfs/dbraw/zinc/01/82/73/563018273.db2.gz HKRFPPQPBUDUQY-UHFFFAOYSA-N -1 0 445.323 4.275 50 0 IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000263615311 568776020 /nfs/dbraw/zinc/77/60/20/568776020.db2.gz BSDGWFHCVRCFPP-UHFFFAOYSA-N -1 0 447.534 4.410 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1OC)CC2 ZINC000015781837 568826130 /nfs/dbraw/zinc/82/61/30/568826130.db2.gz NSMUAWWVAQRVDQ-GOSISDBHSA-N -1 0 428.485 4.099 50 0 IIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(OC)c1 ZINC000006146393 568846058 /nfs/dbraw/zinc/84/60/58/568846058.db2.gz GBUVUSXFOVOWBT-UHFFFAOYSA-N -1 0 448.447 4.035 50 0 IIAARM CC(=O)c1cccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000015858721 568846620 /nfs/dbraw/zinc/84/66/20/568846620.db2.gz KNWOYGKHPUVMLW-UHFFFAOYSA-N -1 0 432.505 4.394 50 0 IIAARM Cn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000015870668 568852289 /nfs/dbraw/zinc/85/22/89/568852289.db2.gz GAZFXXZUTHKNDF-UHFFFAOYSA-N -1 0 427.476 4.438 50 0 IIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000013027215 568902105 /nfs/dbraw/zinc/90/21/05/568902105.db2.gz LVTRVDMOFYWPFQ-QFIPXVFZSA-N -1 0 426.538 4.190 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000064589396 568934832 /nfs/dbraw/zinc/93/48/32/568934832.db2.gz WKNABZGFYRZGDU-UHFFFAOYSA-N -1 0 436.899 4.012 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(C)c3)c(C(=O)[O-])c2)CC1 ZINC000064589619 568935073 /nfs/dbraw/zinc/93/50/73/568935073.db2.gz VLFUCQIAWPQBIK-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)c1ccccc1 ZINC000064590106 568935223 /nfs/dbraw/zinc/93/52/23/568935223.db2.gz DNGACXYJSDCYNR-UHFFFAOYSA-N -1 0 433.483 4.098 50 0 IIAARM COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000064988088 569082840 /nfs/dbraw/zinc/08/28/40/569082840.db2.gz BFNYCBORWQEOBJ-UHFFFAOYSA-N -1 0 449.488 4.416 50 0 IIAARM O=C(NC1CC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059898 569095712 /nfs/dbraw/zinc/09/57/12/569095712.db2.gz YARFUEFAKDIBNV-UHFFFAOYSA-N -1 0 449.941 4.282 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000065116126 569107126 /nfs/dbraw/zinc/10/71/26/569107126.db2.gz CHMYEVOGXMDJCR-UHFFFAOYSA-N -1 0 443.525 4.234 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000170612529 569145988 /nfs/dbraw/zinc/14/59/88/569145988.db2.gz OVBYMVWGWKEBNN-IBGZPJMESA-N -1 0 430.888 4.290 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(F)cc2)cc1 ZINC000017248262 569176295 /nfs/dbraw/zinc/17/62/95/569176295.db2.gz LOAPANFWFUOIAD-UHFFFAOYSA-N -1 0 438.484 4.190 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCCCC(=O)[O-])occ3C(C)(C)C ZINC000002115373 569182429 /nfs/dbraw/zinc/18/24/29/569182429.db2.gz QWVDBTAISJDLQL-UHFFFAOYSA-N -1 0 427.497 4.449 50 0 biogenic IIAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002117321 569182473 /nfs/dbraw/zinc/18/24/73/569182473.db2.gz VVJSGHRIWRRTGK-GOSISDBHSA-N -1 0 427.497 4.447 50 0 biogenic IIAARM Cc1ccc(CN(C)C(=O)c2cc(Cl)cc(C(=O)N(C)Cc3ccc(C)o3)c2[O-])o1 ZINC000253425226 569267261 /nfs/dbraw/zinc/26/72/61/569267261.db2.gz RETWUNVPBKJVCS-UHFFFAOYSA-N -1 0 430.888 4.393 50 0 IIAARM CCOP(=O)(OCC)[C@]([N-]c1nc2ccccc2s1)(C(=O)OC)C(F)(F)F ZINC000002411833 569301087 /nfs/dbraw/zinc/30/10/87/569301087.db2.gz QEMGVGUIURWMTP-CQSZACIVSA-N -1 0 426.353 4.406 50 0 IIAARM COc1ccc(Cn2c([N-]S(=O)(=O)c3ccccc3)cc3nc4ccccc4nc32)cc1 ZINC000002441829 569304256 /nfs/dbraw/zinc/30/42/56/569304256.db2.gz HSQJSDZWNMRYKC-UHFFFAOYSA-N -1 0 444.516 4.442 50 0 IIAARM COc1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000013097956 569309831 /nfs/dbraw/zinc/30/98/31/569309831.db2.gz PEQKZBLOYVKPSV-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM Cc1nccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000328593992 569317433 /nfs/dbraw/zinc/31/74/33/569317433.db2.gz GQCCRRJSMOCTRK-UHFFFAOYSA-N -1 0 425.901 4.092 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330495 569360699 /nfs/dbraw/zinc/36/06/99/569360699.db2.gz DJCKGFVWCCOBML-AWEZNQCLSA-N -1 0 436.537 4.207 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4C[C@H](C)C[C@H](C)C4)c3=O)c2c1 ZINC000020331609 569360909 /nfs/dbraw/zinc/36/09/09/569360909.db2.gz STWUSXGWZZIMSJ-GASCZTMLSA-N -1 0 442.585 4.224 50 0 IIAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)CN(c1ncc(C(F)(F)F)cc1Cl)CC3 ZINC000020365212 569362004 /nfs/dbraw/zinc/36/20/04/569362004.db2.gz BXXUOQHTBMSYAB-UHFFFAOYSA-N -1 0 432.880 4.287 50 0 IIAARM Cc1c(S(=O)(=O)[N-]c2cncnc2-c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000095995696 569378594 /nfs/dbraw/zinc/37/85/94/569378594.db2.gz GCKMDZQZGQVSJL-UHFFFAOYSA-N -1 0 425.901 4.092 50 0 IIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NC(=O)COc1ccccc1OCc1ccccc1 ZINC000096011842 569379902 /nfs/dbraw/zinc/37/99/02/569379902.db2.gz YXXILRWBYVUPPU-UHFFFAOYSA-N -1 0 429.476 4.071 50 0 IIAARM Cc1cc(C)n(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 ZINC000002730652 569419256 /nfs/dbraw/zinc/41/92/56/569419256.db2.gz NNWFFNKCTZAGGV-UHFFFAOYSA-N -1 0 431.928 4.375 50 0 IIAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000002889865 569424287 /nfs/dbraw/zinc/42/42/87/569424287.db2.gz NWXFZGODLCFPHZ-UHFFFAOYSA-N -1 0 431.558 4.024 50 0 IIAARM O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000003365461 569448071 /nfs/dbraw/zinc/44/80/71/569448071.db2.gz UHZLJKCJPZZQNV-UHFFFAOYSA-N -1 0 431.322 4.379 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCCCc2ccccc2)c1 ZINC000003398599 569449557 /nfs/dbraw/zinc/44/95/57/569449557.db2.gz HJYKHRZOIGNKGL-UHFFFAOYSA-N -1 0 438.549 4.167 50 0 IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4ccc(C)c(F)c4)cc3[n-]c2=S)cc1 ZINC000003632276 569455416 /nfs/dbraw/zinc/45/54/16/569455416.db2.gz PWGNKXVRNKPBHC-UHFFFAOYSA-N -1 0 449.507 4.442 50 0 IIAARM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2N1Cc1ccccc1 ZINC000008840661 569478342 /nfs/dbraw/zinc/47/83/42/569478342.db2.gz ZRBLVMXFZJOGPB-UHFFFAOYSA-N -1 0 428.460 4.245 50 0 IIAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000009047198 569498513 /nfs/dbraw/zinc/49/85/13/569498513.db2.gz BLNOYGUNMPARRZ-LJQANCHMSA-N -1 0 441.524 4.041 50 0 IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3c(C)cccc3C)cc21 ZINC000040450276 569506236 /nfs/dbraw/zinc/50/62/36/569506236.db2.gz PLIACVFYUDWQKW-UHFFFAOYSA-N -1 0 437.359 4.166 50 0 IIAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(CC)ccc3OC)cc2OCC(C)(C)C1=O ZINC000009167864 569509103 /nfs/dbraw/zinc/50/91/03/569509103.db2.gz SQWYQALUSQYFHG-UHFFFAOYSA-N -1 0 446.569 4.220 50 0 IIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000009224157 569513100 /nfs/dbraw/zinc/51/31/00/569513100.db2.gz HKESFTIEKSLBEK-UHFFFAOYSA-N -1 0 440.315 4.300 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C2CC2)c(Cl)cc1Cl ZINC000009377274 569527433 /nfs/dbraw/zinc/52/74/33/569527433.db2.gz IARFORSXMVESFN-LLVKDONJSA-N -1 0 443.352 4.331 50 0 IIAARM Cc1cnc(NC(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)s1 ZINC000009421837 569532791 /nfs/dbraw/zinc/53/27/91/569532791.db2.gz MXSJOFCUIUFVSG-UHFFFAOYSA-N -1 0 430.536 4.114 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCCC3)ccc2OC)cc1 ZINC000009509694 569542644 /nfs/dbraw/zinc/54/26/44/569542644.db2.gz NZIKLQWCAXSROJ-UHFFFAOYSA-N -1 0 432.542 4.414 50 0 IIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3cccc(C)c3nc21 ZINC000009546065 569546211 /nfs/dbraw/zinc/54/62/11/569546211.db2.gz JTVVGAMHVYWJGG-UHFFFAOYSA-N -1 0 437.525 4.062 50 0 IIAARM C[C@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2C1 ZINC000009546266 569546290 /nfs/dbraw/zinc/54/62/90/569546290.db2.gz XJLGJJSFONUJMK-LBPRGKRZSA-N -1 0 433.580 4.383 50 0 IIAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2)n1 ZINC000009572451 569547691 /nfs/dbraw/zinc/54/76/91/569547691.db2.gz ULRXINPGGGPJMD-UHFFFAOYSA-N -1 0 427.530 4.078 50 0 IIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009672314 569558776 /nfs/dbraw/zinc/55/87/76/569558776.db2.gz ZIFPZYPEZWEGTG-UHFFFAOYSA-N -1 0 439.415 4.363 50 0 IIAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2OC)cc1 ZINC000009715481 569563077 /nfs/dbraw/zinc/56/30/77/569563077.db2.gz IMXAQPNSTFRATC-UHFFFAOYSA-N -1 0 428.485 4.450 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)s1 ZINC000010186588 569578408 /nfs/dbraw/zinc/57/84/08/569578408.db2.gz UFQKEYUIACWHNI-UHFFFAOYSA-N -1 0 443.525 4.258 50 0 IIAARM Cc1cc(NC(=O)C2=C(C)N(c3ccccc3)C(=S)N[C@@H]2c2ccc(C(=O)[O-])cc2)no1 ZINC000010353152 569581438 /nfs/dbraw/zinc/58/14/38/569581438.db2.gz YXAAJWKYXJPWAJ-HXUWFJFHSA-N -1 0 448.504 4.030 50 0 IIAARM CCc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000009716910 132239022 /nfs/dbraw/zinc/23/90/22/132239022.db2.gz RGNKJCQKEAWIKL-GOSISDBHSA-N -1 0 443.573 4.171 50 0 IIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(F)cc1F ZINC000008583847 132282531 /nfs/dbraw/zinc/28/25/31/132282531.db2.gz XWSMZUYGIXCRQO-UHFFFAOYSA-N -1 0 430.480 4.213 50 0 IIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000008608630 132287604 /nfs/dbraw/zinc/28/76/04/132287604.db2.gz JGXPOHVMWYVLLB-UHFFFAOYSA-N -1 0 446.525 4.290 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(-c3nn(C)cc3Br)c2)[C@@H](C(=O)[O-])C1 ZINC000012340427 520841526 /nfs/dbraw/zinc/84/15/26/520841526.db2.gz PLPPVWULDLFIDT-HOTGVXAUSA-N -1 0 432.318 4.235 50 0 IIAARM CCOc1ccc(NC(=O)N2CCc3cc(OCC)c(OCC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000020920505 521090302 /nfs/dbraw/zinc/09/03/02/521090302.db2.gz PYZOKAGTVQVGRV-FQEVSTJZSA-N -1 0 442.512 4.489 50 0 IIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000020580414 523109134 /nfs/dbraw/zinc/10/91/34/523109134.db2.gz OEHZAZATJSPESF-UHFFFAOYSA-N -1 0 428.388 4.358 50 0 IIAARM Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c1 ZINC000035397515 524194960 /nfs/dbraw/zinc/19/49/60/524194960.db2.gz JEZRDZGTUJYTCH-UHFFFAOYSA-N -1 0 433.574 4.316 50 0 IIAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CC[C@@H](C)C3)cc1 ZINC000017096027 524553081 /nfs/dbraw/zinc/55/30/81/524553081.db2.gz PZSZJXGDMKPIAE-OAHLLOKOSA-N -1 0 428.554 4.305 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1OC ZINC000020977455 524690250 /nfs/dbraw/zinc/69/02/50/524690250.db2.gz LJGOLLLMXGNSRE-UHFFFAOYSA-N -1 0 434.417 4.240 50 0 IIAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C[C@H](C)O1 ZINC000016689793 525058358 /nfs/dbraw/zinc/05/83/58/525058358.db2.gz KXNMHBIKBMTJCN-AHIWAGSCSA-N -1 0 428.489 4.094 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)no1 ZINC000016400501 525286935 /nfs/dbraw/zinc/28/69/35/525286935.db2.gz SVGRJRVMAREPKH-UHFFFAOYSA-N -1 0 429.542 4.329 50 0 IIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)n1C ZINC000020989818 525573562 /nfs/dbraw/zinc/57/35/62/525573562.db2.gz VMGBNOMSFPGYNQ-UHFFFAOYSA-N -1 0 443.491 4.088 50 0 IIAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022609589 526331199 /nfs/dbraw/zinc/33/11/99/526331199.db2.gz BTVCLKPHFDLOFP-GOSISDBHSA-N -1 0 443.935 4.201 50 0 IIAARM O=C([O-])c1csc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)n1 ZINC000035753552 526406915 /nfs/dbraw/zinc/40/69/15/526406915.db2.gz DWCXPOHQIYASRO-UHFFFAOYSA-N -1 0 429.914 4.430 50 0 IIAARM Cc1nc2sc([C@@H](c3ccccc3C)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627275 527205720 /nfs/dbraw/zinc/20/57/20/527205720.db2.gz RXBHVEPSUDXYIG-HXUWFJFHSA-N -1 0 437.544 4.164 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)c(C)c3)cc2)no1 ZINC000000646308 555521079 /nfs/dbraw/zinc/52/10/79/555521079.db2.gz VQVWMMOQHCRFRG-UHFFFAOYSA-N -1 0 443.525 4.233 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000000647608 555521627 /nfs/dbraw/zinc/52/16/27/555521627.db2.gz HEXHRPQEZCKXMF-SFHVURJKSA-N -1 0 431.286 4.000 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000000665742 555528356 /nfs/dbraw/zinc/52/83/56/555528356.db2.gz ZIRYBTAUTALGHF-UHFFFAOYSA-N -1 0 440.521 4.076 50 0 IIAARM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000000791048 555557136 /nfs/dbraw/zinc/55/71/36/555557136.db2.gz AIESGDAOIMLZDB-UHFFFAOYSA-N -1 0 439.537 4.197 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(C)c3c2CCC3)cc1OC ZINC000001034529 555607443 /nfs/dbraw/zinc/60/74/43/555607443.db2.gz ANMBKUJXXPVWKN-UHFFFAOYSA-N -1 0 440.521 4.489 50 0 IIAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(I)cc1F)c1ccccc1 ZINC000001041404 555610008 /nfs/dbraw/zinc/61/00/08/555610008.db2.gz UUFNTDCDODAKJC-GFCCVEGCSA-N -1 0 427.213 4.017 50 0 IIAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001048961 555612120 /nfs/dbraw/zinc/61/21/20/555612120.db2.gz WUXMICWFNCISFL-UHFFFAOYSA-N -1 0 433.351 4.373 50 0 IIAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000002144132 555748844 /nfs/dbraw/zinc/74/88/44/555748844.db2.gz OLQAGQFHLLZLJT-PXNMLYILSA-N -1 0 430.869 4.022 50 0 IIAARM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000002178467 555752682 /nfs/dbraw/zinc/75/26/82/555752682.db2.gz VKNFXBHTWSKDPT-SGEFVQMOSA-N -1 0 447.896 4.437 50 0 IIAARM CC(C)(C)OC(=O)C[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002541680 555786381 /nfs/dbraw/zinc/78/63/81/555786381.db2.gz XXXSUGLINJXRGT-HNNXBMFYSA-N -1 0 425.481 4.100 50 0 IIAARM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002539226 555786438 /nfs/dbraw/zinc/78/64/38/555786438.db2.gz GOPWHXPXSPIIQZ-FQEVSTJZSA-N -1 0 425.481 4.100 50 0 biogenic IIAARM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000002696377 555800058 /nfs/dbraw/zinc/80/00/58/555800058.db2.gz XCBKZHPERJDPET-UHFFFAOYSA-N -1 0 445.566 4.393 50 0 IIAARM O=C([O-])c1cccc(NC(=O)N[C@@H](OC(=O)c2ccccc2)C(Cl)(Cl)Cl)c1 ZINC000003168154 555893610 /nfs/dbraw/zinc/89/36/10/555893610.db2.gz UIBDWXOKRNGHCJ-HNNXBMFYSA-N -1 0 431.659 4.060 50 0 IIAARM COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003886271 555950836 /nfs/dbraw/zinc/95/08/36/555950836.db2.gz SRENXCUQVFCUHT-UHFFFAOYSA-N -1 0 431.897 4.442 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC000008454449 556185273 /nfs/dbraw/zinc/18/52/73/556185273.db2.gz ZZAGQSGKZPKVQD-PMACEKPBSA-N -1 0 445.512 4.203 50 0 IIAARM Cc1ccc(CN2C(=O)N/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000008816368 556217755 /nfs/dbraw/zinc/21/77/55/556217755.db2.gz MFGWQGHQCGWPDU-HMAPJEAMSA-N -1 0 442.471 4.365 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(Br)cc1C ZINC000013017724 556438662 /nfs/dbraw/zinc/43/86/62/556438662.db2.gz MXWJYKVNQNETOR-UHFFFAOYSA-N -1 0 432.293 4.255 50 0 IIAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1-c1ccc(Br)cc1 ZINC000072273403 556452141 /nfs/dbraw/zinc/45/21/41/556452141.db2.gz ANRQVCLNWAEMPG-UHFFFAOYSA-N -1 0 446.370 4.448 50 0 IIAARM Cn1ccnc1Sc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000072282598 556472308 /nfs/dbraw/zinc/47/23/08/556472308.db2.gz KSCPFLBQXPJKGL-UHFFFAOYSA-N -1 0 447.435 4.410 50 0 IIAARM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C ZINC000029816941 556483449 /nfs/dbraw/zinc/48/34/49/556483449.db2.gz GQRYYKJXFQYRCQ-UHFFFAOYSA-N -1 0 429.523 4.068 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C34C[C@@H]5CC(C[C@@H](C5)C3)CC4)cc2)n1 ZINC000015799608 556572198 /nfs/dbraw/zinc/57/21/98/556572198.db2.gz JGVAQJHLGHBIFA-RIQKWWQQSA-N -1 0 440.569 4.131 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000020352010 556577013 /nfs/dbraw/zinc/57/70/13/556577013.db2.gz ACOGEPWEEZJOAM-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962190 556580365 /nfs/dbraw/zinc/58/03/65/556580365.db2.gz SLJOKJSVVNGAEW-UHFFFAOYSA-N -1 0 432.542 4.355 50 0 IIAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)nc2c1 ZINC000016227801 556593323 /nfs/dbraw/zinc/59/33/23/556593323.db2.gz VQCUBDPJMPSTHG-UHFFFAOYSA-N -1 0 444.900 4.298 50 0 IIAARM C[C@H](Sc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1)C(=O)[O-] ZINC000016474667 556610161 /nfs/dbraw/zinc/61/01/61/556610161.db2.gz SYGLADDXQDSLIL-ZDUSSCGKSA-N -1 0 448.342 4.233 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1cccnc1)c1cccc(Cl)c1 ZINC000016756970 556639181 /nfs/dbraw/zinc/63/91/81/556639181.db2.gz IQAFZKXAIXZVPW-UHFFFAOYSA-N -1 0 425.901 4.091 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@H](C)C3)[C@@H](C(=O)[O-])C1 ZINC000017097105 556661101 /nfs/dbraw/zinc/66/11/01/556661101.db2.gz RQOCKONQWNUXKZ-GOPGUHFVSA-N -1 0 430.570 4.151 50 0 IIAARM O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000016120990 556661243 /nfs/dbraw/zinc/66/12/43/556661243.db2.gz MNZAZTFOPIJMHI-UHFFFAOYSA-N -1 0 436.411 4.480 50 0 IIAARM C[C@@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238900481 556681981 /nfs/dbraw/zinc/68/19/81/556681981.db2.gz ITGDFJSZWWNVPR-ZHALLVOQSA-N -1 0 449.503 4.235 50 0 IIAARM O=C([O-])[C@H](Cc1c(F)cc(O)cc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002383919 556761193 /nfs/dbraw/zinc/76/11/93/556761193.db2.gz NUUZAOZFLRYEAB-QFIPXVFZSA-N -1 0 439.414 4.205 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCC3)c1 ZINC000019636232 556835333 /nfs/dbraw/zinc/83/53/33/556835333.db2.gz ACOFFNWXKATAPN-HOTGVXAUSA-N -1 0 442.537 4.327 50 0 IIAARM Cc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000033078180 556852956 /nfs/dbraw/zinc/85/29/56/556852956.db2.gz ZRAPGPWUAFRKDT-UHFFFAOYSA-N -1 0 441.532 4.459 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033078625 556853676 /nfs/dbraw/zinc/85/36/76/556853676.db2.gz OXMRYWOGOXNMQM-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000023119194 557007070 /nfs/dbraw/zinc/00/70/70/557007070.db2.gz VZBYAMUJFBDKGJ-OAQYLSRUSA-N -1 0 435.501 4.335 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCCOC(C)C)c(C)c1 ZINC000017207423 557038853 /nfs/dbraw/zinc/03/88/53/557038853.db2.gz YPCUQQZMJCXOQQ-UHFFFAOYSA-N -1 0 428.558 4.274 50 0 IIAARM CCCn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2cnn(CC)c2)c1 ZINC000033275380 557053861 /nfs/dbraw/zinc/05/38/61/557053861.db2.gz MMNQQWGFNJVSRE-UHFFFAOYSA-N -1 0 437.569 4.249 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(C)=O)s1 ZINC000033306467 557085426 /nfs/dbraw/zinc/08/54/26/557085426.db2.gz XTSQDVFJAVOHGQ-RMKNXTFCSA-N -1 0 447.538 4.291 50 0 IIAARM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)nc(C)n1 ZINC000033326885 557108636 /nfs/dbraw/zinc/10/86/36/557108636.db2.gz XXZLXEWFWSGONE-UHFFFAOYSA-N -1 0 447.511 4.454 50 0 IIAARM Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000024830636 557170366 /nfs/dbraw/zinc/17/03/66/557170366.db2.gz FUJXKBHMGCGOKH-UHFFFAOYSA-N -1 0 426.523 4.224 50 0 IIAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2CC(C)C)cc1 ZINC000009582981 557190495 /nfs/dbraw/zinc/19/04/95/557190495.db2.gz HZPGPMBLSDTZLJ-UHFFFAOYSA-N -1 0 440.525 4.039 50 0 IIAARM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000000793278 557200172 /nfs/dbraw/zinc/20/01/72/557200172.db2.gz WZABFUYMBANUHI-UHFFFAOYSA-N -1 0 442.971 4.312 50 0 IIAARM Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C2)c(=O)[nH]c1=O ZINC000101495179 557289205 /nfs/dbraw/zinc/28/92/05/557289205.db2.gz OOXCGAJQFNYEIT-FQEVSTJZSA-N -1 0 429.501 4.290 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101618432 557292521 /nfs/dbraw/zinc/29/25/21/557292521.db2.gz UCYBEEWBHGMVBT-MRXNPFEDSA-N -1 0 436.324 4.012 50 0 IIAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc6c(c5)OCO6)ccc4[n-]cc-3c2=O)cc1 ZINC000101828120 557299857 /nfs/dbraw/zinc/29/98/57/557299857.db2.gz RXHUHQDDGDPCNN-UHFFFAOYSA-N -1 0 438.443 4.108 50 0 IIAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3Cl)cnn21 ZINC000101836481 557302911 /nfs/dbraw/zinc/30/29/11/557302911.db2.gz MADXLJLTPULORB-SFHVURJKSA-N -1 0 438.871 4.171 50 0 IIAARM COc1cc(/C=C2\c3ccccc3C(=O)N(CCC(=O)[O-])C2=O)ccc1OCCC(C)C ZINC000032743419 557314654 /nfs/dbraw/zinc/31/46/54/557314654.db2.gz CUEAKRMZDBLRFD-XSFVSMFZSA-N -1 0 437.492 4.118 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C)c(Cl)c3)c(=O)c1=2 ZINC000102479016 557323992 /nfs/dbraw/zinc/32/39/92/557323992.db2.gz GOHPDIHITQMBML-VQTJNVASSA-N -1 0 449.898 4.414 50 0 IIAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)c1ccncc1 ZINC000011695897 557393465 /nfs/dbraw/zinc/39/34/65/557393465.db2.gz DMBJUCHETVHNFI-UHFFFAOYSA-N -1 0 435.530 4.280 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2ccccc2Cl)C1 ZINC000102820787 557393807 /nfs/dbraw/zinc/39/38/07/557393807.db2.gz WMMRGFQUWLSEEZ-QGZVFWFLSA-N -1 0 429.263 4.426 50 0 IIAARM O=C(Nc1ccccc1N1CCCC1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000046918363 557514066 /nfs/dbraw/zinc/51/40/66/557514066.db2.gz RQDQSBSULLNZNG-UHFFFAOYSA-N -1 0 427.551 4.401 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc(OC)c1O ZINC000044919803 557540819 /nfs/dbraw/zinc/54/08/19/557540819.db2.gz JIGPXECUHWZCJH-AWEZNQCLSA-N -1 0 426.400 4.161 50 0 IIAARM CCc1noc(-c2cc(Cl)ccc2[N-]S(=O)(=O)c2c(C)nn(C(C)(C)C)c2C)n1 ZINC000225463836 557725811 /nfs/dbraw/zinc/72/58/11/557725811.db2.gz GWNQFYQLWPAIQM-UHFFFAOYSA-N -1 0 437.953 4.322 50 0 IIAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000238007877 557840826 /nfs/dbraw/zinc/84/08/26/557840826.db2.gz JWYYVRUALJDXDG-GFCCVEGCSA-N -1 0 425.348 4.095 50 0 IIAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000001211353 562920831 /nfs/dbraw/zinc/92/08/31/562920831.db2.gz VIPXLWNGZDNITH-QHCPKHFHSA-N -1 0 441.487 4.154 50 0 biogenic,in-vitro IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000015936992 563019143 /nfs/dbraw/zinc/01/91/43/563019143.db2.gz OCTAEBMTFXYRGK-BBRMVZONSA-N -1 0 428.558 4.024 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)n1 ZINC000000955277 568645874 /nfs/dbraw/zinc/64/58/74/568645874.db2.gz FBSHMGADGOJNDG-UHFFFAOYSA-N -1 0 443.337 4.206 50 0 IIAARM COc1cc2c(cc1OC)[C@@H]([N-]C(=O)C(F)(F)F)C[C@H]2OC(=O)Nc1ccc(C)cc1 ZINC000001399332 568785891 /nfs/dbraw/zinc/78/58/91/568785891.db2.gz BUJVQXCEDZBTOO-JKSUJKDBSA-N -1 0 438.402 4.425 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C[C@@H](C)c2ccncc2)ccc1C ZINC000084190135 568796014 /nfs/dbraw/zinc/79/60/14/568796014.db2.gz AOTMWGAOCVBACV-QGZVFWFLSA-N -1 0 439.537 4.332 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1cc(C)ccc1OC ZINC000015731475 568814775 /nfs/dbraw/zinc/81/47/75/568814775.db2.gz UBLVFCKEUDXLJP-UHFFFAOYSA-N -1 0 446.912 4.428 50 0 IIAARM COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557785 568932150 /nfs/dbraw/zinc/93/21/50/568932150.db2.gz PFAAZGKNDWDOCD-FQEVSTJZSA-N -1 0 439.464 4.166 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589494 568934960 /nfs/dbraw/zinc/93/49/60/568934960.db2.gz VVFDIFCLOWRXQS-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000065116218 569107188 /nfs/dbraw/zinc/10/71/88/569107188.db2.gz PSKZFPYNBVFIMC-UHFFFAOYSA-N -1 0 447.488 4.119 50 0 IIAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000037019005 569139575 /nfs/dbraw/zinc/13/95/75/569139575.db2.gz DIFRKOSZUDAHTA-QKXCFHHRSA-N -1 0 435.505 4.324 50 0 IIAARM Cc1c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)nnn1Cc1ccccc1F ZINC000170617449 569147381 /nfs/dbraw/zinc/14/73/81/569147381.db2.gz XBDHOIMBMUUHRR-UHFFFAOYSA-N -1 0 429.304 4.023 50 0 IIAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000009882208 569149519 /nfs/dbraw/zinc/14/95/19/569149519.db2.gz ZBWLEQVNMCQGIQ-UHFFFAOYSA-N -1 0 449.532 4.175 50 0 IIAARM COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1 ZINC000095748983 569178002 /nfs/dbraw/zinc/17/80/02/569178002.db2.gz PWCHHMUOQNPWJD-QHCPKHFHSA-N -1 0 433.460 4.368 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])C(C)C)occ3-c1ccccc1 ZINC000002097202 569179313 /nfs/dbraw/zinc/17/93/13/569179313.db2.gz SKKBDNYUEIDNJX-QHCPKHFHSA-N -1 0 433.460 4.283 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)oc1c3CCCC1 ZINC000002104291 569180182 /nfs/dbraw/zinc/18/01/82/569180182.db2.gz BCCCYWOTXDTSDW-XMMPIXPASA-N -1 0 445.471 4.211 50 0 biogenic IIAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c21 ZINC000002114345 569182334 /nfs/dbraw/zinc/18/23/34/569182334.db2.gz QTJWGRRPYOHVJD-UHFFFAOYSA-N -1 0 425.481 4.014 50 0 biogenic IIAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002117422 569182443 /nfs/dbraw/zinc/18/24/43/569182443.db2.gz IPIRWNMQBWYGBT-SFHVURJKSA-N -1 0 427.497 4.447 50 0 biogenic IIAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002125464 569183895 /nfs/dbraw/zinc/18/38/95/569183895.db2.gz ZYRUVSSWAWTETR-LJQANCHMSA-N -1 0 437.423 4.176 50 0 biogenic IIAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000002128926 569184317 /nfs/dbraw/zinc/18/43/17/569184317.db2.gz HCMATYWCWYGVSJ-FQEVSTJZSA-N -1 0 433.460 4.345 50 0 biogenic IIAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002157666 569187722 /nfs/dbraw/zinc/18/77/22/569187722.db2.gz RVDSMTWQSNUNLV-ZHRRBRCNSA-N -1 0 437.492 4.153 50 0 biogenic IIAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O)N1CCCC1 ZINC000003630294 569211929 /nfs/dbraw/zinc/21/19/29/569211929.db2.gz MSJLRJXXECLVQG-UHFFFAOYSA-N -1 0 444.354 4.106 50 0 IIAARM COc1ccc2occ([C@@H]3CC(=O)Oc4ccc(C(=O)c5ccccc5)c([O-])c43)c(=O)c2c1 ZINC000253410907 569265739 /nfs/dbraw/zinc/26/57/39/569265739.db2.gz NXXJENFMZZUNHR-KRWDZBQOSA-N -1 0 442.423 4.179 50 0 biogenic IIAARM COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471577 569282674 /nfs/dbraw/zinc/28/26/74/569282674.db2.gz VKIWKGGJGFCFJS-MRXNPFEDSA-N -1 0 429.856 4.182 50 0 IIAARM CCOC(=O)c1c(C)n(C)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(C)cc3C)c21 ZINC000002363721 569287830 /nfs/dbraw/zinc/28/78/30/569287830.db2.gz LGEOLXSKIDCYGT-UHFFFAOYSA-N -1 0 430.526 4.090 50 0 IIAARM CCCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1C ZINC000013365572 569314254 /nfs/dbraw/zinc/31/42/54/569314254.db2.gz ZOXMHXLRTDBMCT-UHFFFAOYSA-N -1 0 428.562 4.031 50 0 IIAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2csc3ccccc23)nc1C(F)(F)F ZINC000328594091 569317562 /nfs/dbraw/zinc/31/75/62/569317562.db2.gz OTZAOVWOXUQLCF-UHFFFAOYSA-N -1 0 436.458 4.354 50 0 IIAARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1O ZINC000096115016 569383056 /nfs/dbraw/zinc/38/30/56/569383056.db2.gz LKNSDIPVTHXBNG-HNNXBMFYSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@@H]3CCCC[C@H]3C)c(=O)c2cc1OCC ZINC000003010251 569435303 /nfs/dbraw/zinc/43/53/03/569435303.db2.gz JSMBCFBJFBNLQN-NVXWUHKLSA-N -1 0 447.601 4.332 50 0 IIAARM COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000003217990 569441940 /nfs/dbraw/zinc/44/19/40/569441940.db2.gz IQEZBUWURKRFBP-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccs2)c1 ZINC000031346264 569456140 /nfs/dbraw/zinc/45/61/40/569456140.db2.gz NGHTVPQKJHHBSG-UHFFFAOYSA-N -1 0 430.551 4.138 50 0 IIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032091630 569459595 /nfs/dbraw/zinc/45/95/95/569459595.db2.gz SSBIEBISFYZZMF-IBGZPJMESA-N -1 0 426.929 4.379 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)c3ccccc3N(C)C2=O)cc1 ZINC000032102295 569460108 /nfs/dbraw/zinc/46/01/08/569460108.db2.gz XUEQNIYIFQGHLT-HSZRJFAPSA-N -1 0 434.473 4.376 50 0 IIAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000008836401 569478111 /nfs/dbraw/zinc/47/81/11/569478111.db2.gz BSGXBDXCSNPIGD-UHFFFAOYSA-N -1 0 426.523 4.113 50 0 IIAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2OC(F)(F)F)cc1 ZINC000040284677 569497929 /nfs/dbraw/zinc/49/79/29/569497929.db2.gz MKTUUKXLCKDMQT-GOSISDBHSA-N -1 0 446.385 4.186 50 0 IIAARM CC(C)CN1c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2OCC(C)(C)C1=O ZINC000009168055 569509130 /nfs/dbraw/zinc/50/91/30/569509130.db2.gz DMTOEMMWMRACRO-UHFFFAOYSA-N -1 0 438.496 4.173 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c1 ZINC000009228204 569513597 /nfs/dbraw/zinc/51/35/97/569513597.db2.gz KBEOWQCGNQUZQE-UHFFFAOYSA-N -1 0 432.498 4.257 50 0 IIAARM COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009508406 569542319 /nfs/dbraw/zinc/54/23/19/569542319.db2.gz WZMOIQWXJOKURY-UHFFFAOYSA-N -1 0 448.903 4.470 50 0 IIAARM C[C@@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2C1 ZINC000009546264 569546240 /nfs/dbraw/zinc/54/62/40/569546240.db2.gz XJLGJJSFONUJMK-GFCCVEGCSA-N -1 0 433.580 4.383 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685493 569560627 /nfs/dbraw/zinc/56/06/27/569560627.db2.gz HEFNCFKEUNKQPU-UHFFFAOYSA-N -1 0 442.537 4.449 50 0 IIAARM CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000006190595 193889571 /nfs/dbraw/zinc/88/95/71/193889571.db2.gz BIKGHFJAFDRBEP-XLNRJJMWSA-N -1 0 438.524 4.006 50 0 biogenic IIAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003330140 132263941 /nfs/dbraw/zinc/26/39/41/132263941.db2.gz OUCNFPJLRYGIGB-UHFFFAOYSA-N -1 0 442.459 4.283 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438864 132281938 /nfs/dbraw/zinc/28/19/38/132281938.db2.gz ZVKMUHWMDRJOIX-VXKWHMMOSA-N -1 0 439.943 4.272 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1 ZINC000009403513 132314751 /nfs/dbraw/zinc/31/47/51/132314751.db2.gz JKAOSURBHKRRBA-UHFFFAOYSA-N -1 0 443.569 4.225 50 0 IIAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000035397273 520437496 /nfs/dbraw/zinc/43/74/96/520437496.db2.gz KAIIPMREZKGONC-UHFFFAOYSA-N -1 0 432.329 4.124 50 0 IIAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000035397641 520935447 /nfs/dbraw/zinc/93/54/47/520935447.db2.gz OLXPAGNZBYQDGY-UHFFFAOYSA-N -1 0 431.558 4.475 50 0 IIAARM CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000021660985 521296445 /nfs/dbraw/zinc/29/64/45/521296445.db2.gz DISBWYQQXZNYAD-MRXNPFEDSA-N -1 0 448.504 4.361 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1 ZINC000035557396 521545245 /nfs/dbraw/zinc/54/52/45/521545245.db2.gz ZHYKXQZKFQQKDA-UHFFFAOYSA-N -1 0 447.538 4.433 50 0 IIAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557622 522132119 /nfs/dbraw/zinc/13/21/19/522132119.db2.gz MTGGLYHJPPITKM-UHFFFAOYSA-N -1 0 433.511 4.043 50 0 IIAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c(C)s2)no1 ZINC000035539237 522143515 /nfs/dbraw/zinc/14/35/15/522143515.db2.gz IZBBQTIDOBBFOZ-UHFFFAOYSA-N -1 0 443.934 4.140 50 0 IIAARM CN(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000012523935 522238784 /nfs/dbraw/zinc/23/87/84/522238784.db2.gz SQUREGGMBFGAPG-UHFFFAOYSA-N -1 0 425.539 4.302 50 0 IIAARM COc1ccc(C(=O)N2CCc3sccc3C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012216218 523667727 /nfs/dbraw/zinc/66/77/27/523667727.db2.gz ZJZPKEMHQUYDFP-UHFFFAOYSA-N -1 0 442.562 4.064 50 0 IIAARM Cc1ccc(CNC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017096030 524553635 /nfs/dbraw/zinc/55/36/35/524553635.db2.gz KJLLDQTVLPGJJB-HNNXBMFYSA-N -1 0 428.554 4.305 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2C)ccc1N1CCCCC1 ZINC000012536049 524641413 /nfs/dbraw/zinc/64/14/13/524641413.db2.gz YZJUKWVZMNPALU-SJLPKXTDSA-N -1 0 443.569 4.081 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c1 ZINC000020977648 524869668 /nfs/dbraw/zinc/86/96/68/524869668.db2.gz NAEKEYRDKFGAKA-UHFFFAOYSA-N -1 0 434.417 4.240 50 0 IIAARM COc1cccc(-c2[nH]nc3nc(-c4cc(OC)c(OC)c(OC)c4)cc(C(=O)[O-])c32)c1 ZINC000020850222 525720229 /nfs/dbraw/zinc/72/02/29/525720229.db2.gz QSASSHIRKSEGBT-UHFFFAOYSA-N -1 0 435.436 4.025 50 0 IIAARM C[C@@H](Sc1nnc(-c2cccs2)n1CCC(=O)[O-])C(=O)c1c[nH]c2ccccc21 ZINC000012771938 526010664 /nfs/dbraw/zinc/01/06/64/526010664.db2.gz BKGDUZRPJDQONY-GFCCVEGCSA-N -1 0 426.523 4.326 50 0 IIAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)[O-])CC2)c1 ZINC000021651772 526157876 /nfs/dbraw/zinc/15/78/76/526157876.db2.gz VPHUAIDABFTIGH-UHFFFAOYSA-N -1 0 437.521 4.034 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017097109 526317869 /nfs/dbraw/zinc/31/78/69/526317869.db2.gz IALBRZJPQVODKF-CVEARBPZSA-N -1 0 430.570 4.295 50 0 IIAARM [O-]c1c([C@@H](c2cccs2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022610204 526331459 /nfs/dbraw/zinc/33/14/59/526331459.db2.gz WWBUDDQBJBLCOL-MRXNPFEDSA-N -1 0 431.974 4.123 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000020989017 526730388 /nfs/dbraw/zinc/73/03/88/526730388.db2.gz FARSVUZCPSEHSA-NHCUHLMSSA-N -1 0 429.480 4.069 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000020533998 527560714 /nfs/dbraw/zinc/56/07/14/527560714.db2.gz LKOYZLIGMJJMQB-UTNLWQBASA-N -1 0 445.474 4.475 50 0 IIAARM Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1Cl ZINC000000668125 555529582 /nfs/dbraw/zinc/52/95/82/555529582.db2.gz UJOJTQVCNZSCFM-LMGFAJPXSA-N -1 0 443.886 4.284 50 0 IIAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000000968276 555591028 /nfs/dbraw/zinc/59/10/28/555591028.db2.gz GXPHKUHSUJUWKP-YADARESESA-N -1 0 441.549 4.374 50 0 world IIAARM O=C([O-])CCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000001010591 555601610 /nfs/dbraw/zinc/60/16/10/555601610.db2.gz DMIJYWGCTXLMAV-UHFFFAOYSA-N -1 0 444.443 4.473 50 0 IIAARM O=C([O-])CCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000001163762 555663292 /nfs/dbraw/zinc/66/32/92/555663292.db2.gz AJCYTRVOBWHYIY-UHFFFAOYSA-N -1 0 430.416 4.083 50 0 IIAARM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000001445677 555698697 /nfs/dbraw/zinc/69/86/97/555698697.db2.gz ODKUBGCZRCYEIN-UHFFFAOYSA-N -1 0 431.311 4.184 50 0 IIAARM COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000002886285 555858033 /nfs/dbraw/zinc/85/80/33/555858033.db2.gz DTUIYZZEWQTANO-UHFFFAOYSA-N -1 0 430.913 4.079 50 0 IIAARM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004417363 555994009 /nfs/dbraw/zinc/99/40/09/555994009.db2.gz USEOXMRMPRBGDU-TZMCWYRMSA-N -1 0 446.381 4.474 50 0 IIAARM CC[C@@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000006013492 556072051 /nfs/dbraw/zinc/07/20/51/556072051.db2.gz UGXQYPUXOSRUBC-JOCHJYFZSA-N -1 0 426.490 4.340 50 0 IIAARM Cc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000008684140 556199600 /nfs/dbraw/zinc/19/96/00/556199600.db2.gz GMYDMVQUTGUWAQ-UHFFFAOYSA-N -1 0 443.528 4.229 50 0 IIAARM Cc1ccccc1OCC(=O)Nc1cc(NC(=O)COc2ccccc2C)cc(C(=O)[O-])c1 ZINC000013144032 556487225 /nfs/dbraw/zinc/48/72/25/556487225.db2.gz JWGHLEAZSMJKCU-UHFFFAOYSA-N -1 0 448.475 4.037 50 0 IIAARM Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1Cc1ccccc1 ZINC000013344810 556502704 /nfs/dbraw/zinc/50/27/04/556502704.db2.gz ABWIFNGETPDMNF-UHFFFAOYSA-N -1 0 448.504 4.324 50 0 IIAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000013551868 556515235 /nfs/dbraw/zinc/51/52/35/556515235.db2.gz YTNADSUKBUYZHU-MBSDFSHPSA-N -1 0 431.448 4.039 50 0 IIAARM CCOC(=O)[C@]([N-]c1cc(Cl)ccc1OC)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003103145 556522521 /nfs/dbraw/zinc/52/25/21/556522521.db2.gz LCJVVUMKLOTMQE-SFHVURJKSA-N -1 0 430.810 4.012 50 0 IIAARM CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)CC2)CC1 ZINC000033274675 556558848 /nfs/dbraw/zinc/55/88/48/556558848.db2.gz GDRRDZFZZHHIJL-UHFFFAOYSA-N -1 0 430.545 4.353 50 0 IIAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(=O)NCc2ccco2)c1-c1ccccc1 ZINC000017094862 556657895 /nfs/dbraw/zinc/65/78/95/556657895.db2.gz UIMMQCTYKGOQFQ-UHFFFAOYSA-N -1 0 426.494 4.440 50 0 IIAARM Cc1sc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017094965 556658345 /nfs/dbraw/zinc/65/83/45/556658345.db2.gz PIYRNWOWYSNVGD-MUDYYLEHSA-N -1 0 426.538 4.206 50 0 IIAARM COc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CC[C@@H](C)C3)c1 ZINC000017097020 556660991 /nfs/dbraw/zinc/66/09/91/556660991.db2.gz AFKRYUGDFHYDQZ-CYBMUJFWSA-N -1 0 430.526 4.327 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)[C@H](C(=O)[O-])C1 ZINC000017097123 556661142 /nfs/dbraw/zinc/66/11/42/556661142.db2.gz BCBBDAMMUJMBBE-DLBZAZTESA-N -1 0 430.570 4.295 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017098111 556662770 /nfs/dbraw/zinc/66/27/70/556662770.db2.gz FPNWZPLAVVKTCI-JOCCRWCTSA-N -1 0 432.586 4.367 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)[C@@H](C(=O)[O-])C1 ZINC000017098097 556662802 /nfs/dbraw/zinc/66/28/02/556662802.db2.gz LFSGXKDCVQJAGS-KBMXLJTQSA-N -1 0 432.586 4.384 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)cc1 ZINC000017102480 556666707 /nfs/dbraw/zinc/66/67/07/556666707.db2.gz IFHAEFQOWYCNBZ-IRXDYDNUSA-N -1 0 438.549 4.081 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017102470 556666728 /nfs/dbraw/zinc/66/67/28/556666728.db2.gz GNJFAGZTGDIDKU-DLBZAZTESA-N -1 0 438.549 4.162 50 0 IIAARM COc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc(OC)c1 ZINC000044320320 556666805 /nfs/dbraw/zinc/66/68/05/556666805.db2.gz HWHGHGFWIGKMJY-DEOSSOPVSA-N -1 0 447.487 4.238 50 0 IIAARM COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3cccnc3)c2C)C(=O)[N-]C1=S ZINC000000665673 556681967 /nfs/dbraw/zinc/68/19/67/556681967.db2.gz BNCKEZZTVLWPMG-PDGQHHTCSA-N -1 0 432.505 4.169 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)cc1 ZINC000061719313 556726118 /nfs/dbraw/zinc/72/61/18/556726118.db2.gz JHKQBPKLHFFEJN-AWEZNQCLSA-N -1 0 425.462 4.310 50 0 IIAARM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000058328140 556781061 /nfs/dbraw/zinc/78/10/61/556781061.db2.gz IATXYAOVDCZFKB-PZJWPPBQSA-N -1 0 442.562 4.199 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000019636272 556835329 /nfs/dbraw/zinc/83/53/29/556835329.db2.gz OCUXDLNCESLBAS-KBMXLJTQSA-N -1 0 442.537 4.001 50 0 IIAARM O=S(=O)([N-]NC(=S)Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000019642664 556838099 /nfs/dbraw/zinc/83/80/99/556838099.db2.gz NQJKYEZHWPXXLX-UHFFFAOYSA-N -1 0 445.180 4.480 50 0 IIAARM CCCC(=O)Nc1ccc2nc(N3CCN(c4cccc(OC)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260605 556897053 /nfs/dbraw/zinc/89/70/53/556897053.db2.gz CSCHHUVEWONXFI-UHFFFAOYSA-N -1 0 448.523 4.007 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)c1 ZINC000046053928 557027343 /nfs/dbraw/zinc/02/73/43/557027343.db2.gz SQKNPJUZKUFVFP-UHFFFAOYSA-N -1 0 430.526 4.055 50 0 IIAARM O=S(=O)([N-]c1cccc(OCc2nnc(-c3ccccc3)o2)c1)c1ccccc1F ZINC000033307428 557086768 /nfs/dbraw/zinc/08/67/68/557086768.db2.gz IKDBSRWHJWGTFF-UHFFFAOYSA-N -1 0 425.441 4.256 50 0 IIAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C(=O)NCc1ccc(C(C)C)cc1 ZINC000049003428 557091150 /nfs/dbraw/zinc/09/11/50/557091150.db2.gz DUVCPLNEUKEKLC-UHFFFAOYSA-N -1 0 446.960 4.226 50 0 IIAARM Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(C(=O)[O-])cc2)C1=O ZINC000098087027 557233699 /nfs/dbraw/zinc/23/36/99/557233699.db2.gz VVFXQJVZWWMEKC-PXNMLYILSA-N -1 0 430.869 4.022 50 0 IIAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]2OC(=O)c3ccccc32)cc1C ZINC000100742161 557273946 /nfs/dbraw/zinc/27/39/46/557273946.db2.gz ZWEYTXMYQKBVKO-ZJSXRUAMSA-N -1 0 427.456 4.222 50 0 IIAARM Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]2OC(=O)c3ccccc32)cc1C ZINC000100742163 557274019 /nfs/dbraw/zinc/27/40/19/557274019.db2.gz ZWEYTXMYQKBVKO-URXFXBBRSA-N -1 0 427.456 4.222 50 0 IIAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3Cl)c([O-])c3cccnc32)cc1 ZINC000101723392 557295147 /nfs/dbraw/zinc/29/51/47/557295147.db2.gz NDNFGVAQUYOPFG-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2cccc(Cl)c2)C1 ZINC000101836631 557303246 /nfs/dbraw/zinc/30/32/46/557303246.db2.gz ZIVYGZXUADSAST-KRWDZBQOSA-N -1 0 429.263 4.426 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)[C@H](C(=O)[O-])C1 ZINC000102641849 557363415 /nfs/dbraw/zinc/36/34/15/557363415.db2.gz LFSGXKDCVQJAGS-CWRNSKLLSA-N -1 0 432.586 4.384 50 0 IIAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(O)c4)[C@H]3C2=O)cc1 ZINC000102734543 557372477 /nfs/dbraw/zinc/37/24/77/557372477.db2.gz QQENCQLIBAWUEO-TZRRMPRUSA-N -1 0 444.487 4.232 50 0 IIAARM CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)cc1 ZINC000102820819 557393832 /nfs/dbraw/zinc/39/38/32/557393832.db2.gz HLFWHFZYCGBFKI-VEGGFIAOSA-N -1 0 430.464 4.183 50 0 IIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C(F)(F)c1ccccc1F ZINC000225837078 557783399 /nfs/dbraw/zinc/78/33/99/557783399.db2.gz CGPQGMSJTSADGI-QGZVFWFLSA-N -1 0 431.458 4.157 50 0 IIAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000241135453 557845940 /nfs/dbraw/zinc/84/59/40/557845940.db2.gz JPKUECXRWBMFHY-VXGBXAGGSA-N -1 0 439.242 4.016 50 0 IIAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000241135450 557845946 /nfs/dbraw/zinc/84/59/46/557845946.db2.gz JPKUECXRWBMFHY-NEPJUHHUSA-N -1 0 439.242 4.016 50 0 IIAARM COc1ccc(-c2cc(C(=O)N[C@@H](Cc3cc4ccccc4[nH]3)C(=O)[O-])c(C)o2)cc1OC ZINC000001426028 562921862 /nfs/dbraw/zinc/92/18/62/562921862.db2.gz MUVTYIIZUPMMIS-FQEVSTJZSA-N -1 0 448.475 4.179 50 0 IIAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002105485 562925844 /nfs/dbraw/zinc/92/58/44/562925844.db2.gz FGASSJLHXCNEAN-SFHVURJKSA-N -1 0 425.481 4.029 50 0 biogenic IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C)n1C ZINC000008608182 562957422 /nfs/dbraw/zinc/95/74/22/562957422.db2.gz VCPRLUIKDIEVLX-UHFFFAOYSA-N -1 0 437.993 4.277 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000001117954 568659869 /nfs/dbraw/zinc/65/98/69/568659869.db2.gz TYYHXAKCCLFSJA-UHFFFAOYSA-N -1 0 439.493 4.343 50 0 IIAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000003346818 568746758 /nfs/dbraw/zinc/74/67/58/568746758.db2.gz RAVJAOSQZYLCAT-UHFFFAOYSA-N -1 0 435.910 4.242 50 0 IIAARM O=C([O-])c1ccc(Cl)c(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000003670810 568754085 /nfs/dbraw/zinc/75/40/85/568754085.db2.gz ZETCSPNBXGJGCI-UJKMTWAASA-N -1 0 429.859 4.435 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccc(OC)cc1 ZINC000015731467 568814837 /nfs/dbraw/zinc/81/48/37/568814837.db2.gz XSVTVWYSSRVRMO-UHFFFAOYSA-N -1 0 432.885 4.120 50 0 IIAARM CC(C)CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146046 568846426 /nfs/dbraw/zinc/84/64/26/568846426.db2.gz QICXWXWXWWGRQP-UHFFFAOYSA-N -1 0 425.348 4.026 50 0 IIAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccc(F)c1 ZINC000015862118 568848591 /nfs/dbraw/zinc/84/85/91/568848591.db2.gz VBPADHLHHZJGPN-UHFFFAOYSA-N -1 0 427.482 4.489 50 0 IIAARM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000034736504 568889361 /nfs/dbraw/zinc/88/93/61/568889361.db2.gz SAMQYNYDDCLWTA-YDTSGJJXSA-N -1 0 425.868 4.183 50 0 IIAARM C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000245310755 568914581 /nfs/dbraw/zinc/91/45/81/568914581.db2.gz KLRNMIUKAXHHFS-HZBFKPTESA-N -1 0 432.557 4.192 50 0 biogenic IIAARM COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557742 568931831 /nfs/dbraw/zinc/93/18/31/568931831.db2.gz UNKRBEJMIVDFQJ-OAQYLSRUSA-N -1 0 435.501 4.335 50 0 IIAARM COc1ccc(CCN2C(=O)C[C@H](C(=O)[O-])SC2=Nc2ccc(Cl)cc2)cc1OC ZINC000006673190 568946746 /nfs/dbraw/zinc/94/67/46/568946746.db2.gz WEGSTLHFAJRVGC-GOSISDBHSA-N -1 0 448.928 4.006 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)c3cccc(C)c3N(C)C2=O)cc1 ZINC000036360676 569086688 /nfs/dbraw/zinc/08/66/88/569086688.db2.gz ZLGVACJWNOOCEJ-DEOSSOPVSA-N -1 0 448.500 4.035 50 0 IIAARM CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059813 569095636 /nfs/dbraw/zinc/09/56/36/569095636.db2.gz KVTJMMYFWARXOG-UHFFFAOYSA-N -1 0 437.930 4.139 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(CC)noc2NC(C)=O)ccc1C ZINC000065116368 569107268 /nfs/dbraw/zinc/10/72/68/569107268.db2.gz AFIAEICAVRTGOS-UHFFFAOYSA-N -1 0 443.525 4.370 50 0 IIAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC000013579314 569156128 /nfs/dbraw/zinc/15/61/28/569156128.db2.gz DIFRKOSZUDAHTA-SZGZABIGSA-N -1 0 435.505 4.324 50 0 IIAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(=O)oc3c2C)c1C ZINC000002098330 569179410 /nfs/dbraw/zinc/17/94/10/569179410.db2.gz WHABIQDFZVOFNG-NRFANRHFSA-N -1 0 433.460 4.257 50 0 biogenic IIAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002125462 569183938 /nfs/dbraw/zinc/18/39/38/569183938.db2.gz ZYRUVSSWAWTETR-IBGZPJMESA-N -1 0 437.423 4.176 50 0 biogenic IIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCCCC(=O)[O-])oc1c3CCCC1 ZINC000002155422 569187476 /nfs/dbraw/zinc/18/74/76/569187476.db2.gz SRIIMPSKAXAAQD-UHFFFAOYSA-N -1 0 439.508 4.420 50 0 biogenic IIAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1ccccc1F ZINC000027527369 569263055 /nfs/dbraw/zinc/26/30/55/569263055.db2.gz YTLLOKDOPFVFPT-UHFFFAOYSA-N -1 0 438.256 4.349 50 0 IIAARM COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc(OC)c1OC ZINC000253400773 569264839 /nfs/dbraw/zinc/26/48/39/569264839.db2.gz FEAJSMWJJAMBDH-QGZVFWFLSA-N -1 0 434.444 4.090 50 0 biogenic IIAARM COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1oc2ccccc2c(=O)c1O ZINC000253413097 569265964 /nfs/dbraw/zinc/26/59/64/569265964.db2.gz TTWHFAOHOZHZSM-MRXNPFEDSA-N -1 0 434.400 4.152 50 0 biogenic IIAARM CCCCCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000002291510 569268003 /nfs/dbraw/zinc/26/80/03/569268003.db2.gz XLSISNHGCLZQDO-UHFFFAOYSA-N -1 0 428.510 4.388 50 0 IIAARM CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)c3s[n-]c(=O)c3Cl)n2)CC1 ZINC000253432044 569268543 /nfs/dbraw/zinc/26/85/43/569268543.db2.gz IPGYXTSYRIELOX-UHFFFAOYSA-N -1 0 444.966 4.325 50 0 IIAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002407299 569300346 /nfs/dbraw/zinc/30/03/46/569300346.db2.gz HSRMKCQOLRILRE-UHFFFAOYSA-N -1 0 442.570 4.428 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000013351159 569313177 /nfs/dbraw/zinc/31/31/77/569313177.db2.gz JNBFBSZIUHBYCI-UHFFFAOYSA-N -1 0 437.477 4.222 50 0 IIAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2s1 ZINC000013348731 569313219 /nfs/dbraw/zinc/31/32/19/569313219.db2.gz JURYLVXMUZVLOP-UHFFFAOYSA-N -1 0 441.332 4.074 50 0 IIAARM O=C(NC([N-]c1ccc(Br)cn1)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000019944209 569332281 /nfs/dbraw/zinc/33/22/81/569332281.db2.gz HDURNPCOIOHBIN-UHFFFAOYSA-N -1 0 432.118 4.100 50 0 IIAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)[C@@H]1C ZINC000020102566 569333951 /nfs/dbraw/zinc/33/39/51/569333951.db2.gz XIJQVCOKYZTCSK-LZJOCLMNSA-N -1 0 435.593 4.482 50 0 IIAARM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000095464513 569370504 /nfs/dbraw/zinc/37/05/04/569370504.db2.gz AKNYKLHMYHMTGB-UHFFFAOYSA-N -1 0 426.513 4.309 50 0 IIAARM Cc1c(S(=O)(=O)[N-]c2ccccc2NCc2ccccc2C)cnn1-c1ccccn1 ZINC000095468035 569371224 /nfs/dbraw/zinc/37/12/24/569371224.db2.gz AALSCZSMQKAILE-UHFFFAOYSA-N -1 0 433.537 4.297 50 0 IIAARM CCCCCNC(=O)CCCCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S ZINC000020644747 569374750 /nfs/dbraw/zinc/37/47/50/569374750.db2.gz JFXBPUYDCNGQEO-UHFFFAOYSA-N -1 0 435.590 4.333 50 0 IIAARM Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000096318873 569393860 /nfs/dbraw/zinc/39/38/60/569393860.db2.gz IYGRDGXDYIRQGZ-MPGHIAIKSA-N -1 0 429.494 4.074 50 0 IIAARM O=C(Nc1ccc(Oc2ccccc2)cc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361050 569397623 /nfs/dbraw/zinc/39/76/23/569397623.db2.gz KNMDMKOCWKCBJY-UHFFFAOYSA-N -1 0 434.477 4.255 50 0 IIAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096361233 569397779 /nfs/dbraw/zinc/39/77/79/569397779.db2.gz PVPBHLWPFCGXNK-UHFFFAOYSA-N -1 0 445.715 4.423 50 0 IIAARM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cc(Br)ccc1Br ZINC000003250582 569442928 /nfs/dbraw/zinc/44/29/28/569442928.db2.gz JGUIYNGVLVXEDD-UHFFFAOYSA-N -1 0 441.528 4.371 50 0 IIAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000003263607 569443339 /nfs/dbraw/zinc/44/33/39/569443339.db2.gz GPYJTFLPZYXCMD-UHFFFAOYSA-N -1 0 435.910 4.242 50 0 IIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000003376838 569448643 /nfs/dbraw/zinc/44/86/43/569448643.db2.gz GKOBKNPNWCKLRZ-UHFFFAOYSA-N -1 0 433.121 4.215 50 0 IIAARM O=C(c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O)N1CCc2ccccc2C1 ZINC000003630080 569455206 /nfs/dbraw/zinc/45/52/06/569455206.db2.gz OYAMGEVRLNBHOW-UHFFFAOYSA-N -1 0 441.556 4.126 50 0 IIAARM COc1ccc2c(c1)[C@@H](OC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1CO2 ZINC000004107804 569459132 /nfs/dbraw/zinc/45/91/32/569459132.db2.gz OPBGVUBNYSHXTH-QFIPXVFZSA-N -1 0 439.489 4.101 50 0 IIAARM COc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008836395 569478108 /nfs/dbraw/zinc/47/81/08/569478108.db2.gz BRUIRXRNXKMBLT-UHFFFAOYSA-N -1 0 438.484 4.190 50 0 IIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1 ZINC000008977255 569492960 /nfs/dbraw/zinc/49/29/60/569492960.db2.gz BGNCFCMYNVBGEF-UHFFFAOYSA-N -1 0 434.489 4.026 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)s1 ZINC000008977480 569493052 /nfs/dbraw/zinc/49/30/52/569493052.db2.gz AIVVGQIZETULDW-UHFFFAOYSA-N -1 0 426.563 4.310 50 0 IIAARM Cc1nnc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)s1 ZINC000040266663 569497273 /nfs/dbraw/zinc/49/72/73/569497273.db2.gz OCIYNIPZAAQVAY-LJQANCHMSA-N -1 0 431.443 4.006 50 0 IIAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000040309081 569498692 /nfs/dbraw/zinc/49/86/92/569498692.db2.gz NWUBMHUCKNNHDZ-SFHVURJKSA-N -1 0 441.285 4.050 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2OC)cc1 ZINC000009285144 569519152 /nfs/dbraw/zinc/51/91/52/569519152.db2.gz XIWYUJDHIUBVCV-UHFFFAOYSA-N -1 0 427.482 4.149 50 0 IIAARM CCCCCCNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000009487560 569539784 /nfs/dbraw/zinc/53/97/84/569539784.db2.gz JJBDUVKJQZUPSJ-UHFFFAOYSA-N -1 0 446.139 4.069 50 0 IIAARM O=C(NCCc1c[nH]c2ccccc12)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009547551 569546356 /nfs/dbraw/zinc/54/63/56/569546356.db2.gz FMJXXKRPBVOWLZ-UHFFFAOYSA-N -1 0 437.496 4.080 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC)cc1 ZINC000009562890 569547414 /nfs/dbraw/zinc/54/74/14/569547414.db2.gz PKZLEZWXYGAQKJ-UHFFFAOYSA-N -1 0 446.550 4.137 50 0 IIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4OC)cc(C(=O)[O-])c32)cc1 ZINC000009597477 569550964 /nfs/dbraw/zinc/55/09/64/569550964.db2.gz CHWOGYXYBGLMNJ-UHFFFAOYSA-N -1 0 449.463 4.415 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(SC)c3)c2)on1 ZINC000009637739 569554843 /nfs/dbraw/zinc/55/48/43/569554843.db2.gz OHLLCPSZTXWPTA-UHFFFAOYSA-N -1 0 448.522 4.050 50 0 IIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1Cl ZINC000009686648 569560780 /nfs/dbraw/zinc/56/07/80/569560780.db2.gz DYRXBCKQIJXLTP-UHFFFAOYSA-N -1 0 427.935 4.226 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)on1 ZINC000009688959 569560876 /nfs/dbraw/zinc/56/08/76/569560876.db2.gz OKUPJFWHJDOQFP-UHFFFAOYSA-N -1 0 430.866 4.173 50 0 IIAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1cccc2ccccc21 ZINC000009761956 569566356 /nfs/dbraw/zinc/56/63/56/569566356.db2.gz QNAXDEATACHYBZ-UHFFFAOYSA-N -1 0 431.926 4.335 50 0 IIAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1cccc(Oc3ccccc3)c1)N(C)C2=O ZINC000009776712 569567043 /nfs/dbraw/zinc/56/70/43/569567043.db2.gz LKELVPKRBWDCJZ-GOTSBHOMSA-N -1 0 433.460 4.491 50 0 IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCCC1=CCCCC1 ZINC000009828505 569569764 /nfs/dbraw/zinc/56/97/64/569569764.db2.gz NBRYCSYROZYBHH-UHFFFAOYSA-N -1 0 439.990 4.147 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000010273258 569580235 /nfs/dbraw/zinc/58/02/35/569580235.db2.gz FTKDWKUWSFBEAD-MOPGFXCFSA-N -1 0 435.871 4.105 50 0 IIAARM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](C(=O)[O-])C(C)C ZINC000003831602 252327774 /nfs/dbraw/zinc/32/77/74/252327774.db2.gz ACWBQPMHZXGDFX-JOCHJYFZSA-N -1 0 435.528 4.162 50 0 in-vitro IIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000627097 132227937 /nfs/dbraw/zinc/22/79/37/132227937.db2.gz RNFJMPQXXDPAJR-VXKWHMMOSA-N -1 0 439.943 4.272 50 0 IIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1F ZINC000009129485 132305552 /nfs/dbraw/zinc/30/55/52/132305552.db2.gz WQAIMBSTFKWGLC-UHFFFAOYSA-N -1 0 438.830 4.135 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1F ZINC000013367557 132346738 /nfs/dbraw/zinc/34/67/38/132346738.db2.gz WJCQFDZNDMXXEF-UHFFFAOYSA-N -1 0 446.422 4.334 50 0 IIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)C1 ZINC000017097120 520840926 /nfs/dbraw/zinc/84/09/26/520840926.db2.gz BCBBDAMMUJMBBE-SJORKVTESA-N -1 0 430.570 4.295 50 0 IIAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000022626886 521232573 /nfs/dbraw/zinc/23/25/73/521232573.db2.gz AERJMQZLTZANDA-NRFANRHFSA-N -1 0 449.580 4.115 50 0 IIAARM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854539 522534888 /nfs/dbraw/zinc/53/48/88/522534888.db2.gz YHGDWKBQIFBGHL-HXUWFJFHSA-N -1 0 437.544 4.110 50 0 IIAARM Cc1cccc(-c2nnc(SCc3nc(-c4ccsc4)no3)n2CCC(=O)[O-])c1 ZINC000012895500 524128436 /nfs/dbraw/zinc/12/84/36/524128436.db2.gz WPTVZIUAFGMYFZ-UHFFFAOYSA-N -1 0 427.511 4.132 50 0 IIAARM COc1ccc(N(Cc2ccc(C(=O)[O-])o2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000012699764 524366141 /nfs/dbraw/zinc/36/61/41/524366141.db2.gz QYFOYANVAIMPPP-UHFFFAOYSA-N -1 0 429.494 4.307 50 0 IIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2C)c(OC)c1 ZINC000012557150 524646395 /nfs/dbraw/zinc/64/63/95/524646395.db2.gz JDQQJBKIQJQLIP-UHFFFAOYSA-N -1 0 440.521 4.374 50 0 IIAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002156941 525587421 /nfs/dbraw/zinc/58/74/21/525587421.db2.gz HZJOTKSBRQXDPX-SFHVURJKSA-N -1 0 445.537 4.028 50 0 biogenic IIAARM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012894134 525614375 /nfs/dbraw/zinc/61/43/75/525614375.db2.gz QYKQOZIRHBALFU-MSOLQXFVSA-N -1 0 448.928 4.055 50 0 IIAARM Cc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3c(C)c(Cl)cc(C)c3Cl)c2)n1 ZINC000032933527 526119661 /nfs/dbraw/zinc/11/96/61/526119661.db2.gz XTLLIOUVXZKKDH-UHFFFAOYSA-N -1 0 438.336 4.470 50 0 IIAARM Cc1cc(=O)n2nc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccc(F)cc3)[n-]c2n1 ZINC000035476768 526143088 /nfs/dbraw/zinc/14/30/88/526143088.db2.gz HVQALTXTNZUSNL-UHFFFAOYSA-N -1 0 433.487 4.010 50 0 IIAARM COc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccc(C)cc4)nn3)c2C)c1 ZINC000033308096 526210712 /nfs/dbraw/zinc/21/07/12/526210712.db2.gz QUXORUFTWMWXOG-UHFFFAOYSA-N -1 0 449.536 4.064 50 0 IIAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022609728 526331703 /nfs/dbraw/zinc/33/17/03/526331703.db2.gz AKTNMILQXJRIDD-GOSISDBHSA-N -1 0 443.935 4.201 50 0 IIAARM O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000032946753 526374106 /nfs/dbraw/zinc/37/41/06/526374106.db2.gz XDHAPRBPMURUOB-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000021357352 527113107 /nfs/dbraw/zinc/11/31/07/527113107.db2.gz GSGAZPGGIIMDMD-UHFFFAOYSA-N -1 0 427.476 4.438 50 0 IIAARM CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)N(C(=O)CC)c1ccccc1-2 ZINC000000684615 555539557 /nfs/dbraw/zinc/53/95/57/555539557.db2.gz IUAUWORIUKDXPJ-HXUWFJFHSA-N -1 0 436.493 4.183 50 0 IIAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000790787 555557022 /nfs/dbraw/zinc/55/70/22/555557022.db2.gz VABLAQXSRAGZNU-OAHLLOKOSA-N -1 0 445.928 4.250 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)no1 ZINC000000945488 555587947 /nfs/dbraw/zinc/58/79/47/555587947.db2.gz IVDZLLONTAASPL-UHFFFAOYSA-N -1 0 426.281 4.343 50 0 IIAARM CC(=O)Nc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000997446 555599348 /nfs/dbraw/zinc/59/93/48/555599348.db2.gz VODSFGJCZHSMJU-UHFFFAOYSA-N -1 0 447.520 4.441 50 0 IIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)sc2c1 ZINC000001052737 555613545 /nfs/dbraw/zinc/61/35/45/555613545.db2.gz WCFYQPODCRHGBS-UHFFFAOYSA-N -1 0 439.518 4.239 50 0 IIAARM O=C(CSC(=S)N1CCCC1)c1cc(Br)cc(Br)c1[O-] ZINC000001054987 555614230 /nfs/dbraw/zinc/61/42/30/555614230.db2.gz YHASDVHEIVBFTJ-UHFFFAOYSA-N -1 0 439.194 4.214 50 0 IIAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001142826 555650902 /nfs/dbraw/zinc/65/09/02/555650902.db2.gz YCGKGXGYHPGCQI-UHFFFAOYSA-N -1 0 445.338 4.180 50 0 IIAARM CCOc1cc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc(OCC)c1OCC ZINC000001156339 555658974 /nfs/dbraw/zinc/65/89/74/555658974.db2.gz RPMVRUBZWMBFSS-UHFFFAOYSA-N -1 0 446.525 4.016 50 0 IIAARM COC(=O)C(C)(C)[C@@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1 ZINC000002438158 555779093 /nfs/dbraw/zinc/77/90/93/555779093.db2.gz KIDRWENGXWBOFA-DLBZAZTESA-N -1 0 431.282 4.150 50 0 IIAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000002852067 555839826 /nfs/dbraw/zinc/83/98/26/555839826.db2.gz SIADZNHWUVXDAF-SXGWCWSVSA-N -1 0 448.294 4.149 50 0 IIAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)cc1 ZINC000034763766 555905673 /nfs/dbraw/zinc/90/56/73/555905673.db2.gz GJDWADHYPVYVNV-SFHVURJKSA-N -1 0 434.540 4.103 50 0 IIAARM O=C([O-])CCCC(=O)Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000006156836 556078562 /nfs/dbraw/zinc/07/85/62/556078562.db2.gz LNOYXMZARFSFQP-UHFFFAOYSA-N -1 0 441.958 4.099 50 0 IIAARM O=C([O-])c1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2)c1 ZINC000009323454 556281440 /nfs/dbraw/zinc/28/14/40/556281440.db2.gz GXFZVFVWIMDCGT-HYARGMPZSA-N -1 0 428.444 4.057 50 0 IIAARM CC(C)[C@@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)[O-])n(-c4ccccc4)c(=O)c32)CO1 ZINC000013802002 556310591 /nfs/dbraw/zinc/31/05/91/556310591.db2.gz QVMWHSJKNAZRJD-WFASDCNBSA-N -1 0 430.551 4.110 50 0 IIAARM Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)c3cc(F)ccc3F)n2)cc1 ZINC000014235500 556399092 /nfs/dbraw/zinc/39/90/92/556399092.db2.gz NPEDUEPEHZKTMM-UHFFFAOYSA-N -1 0 442.285 4.081 50 0 IIAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013004991 556434831 /nfs/dbraw/zinc/43/48/31/556434831.db2.gz SMHNVJFMBDWYJF-CVEARBPZSA-N -1 0 448.928 4.055 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc(OC)c1O ZINC000015082782 556501722 /nfs/dbraw/zinc/50/17/22/556501722.db2.gz XSMYCDIHLUKXOQ-ZDUSSCGKSA-N -1 0 443.452 4.449 50 0 IIAARM COc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000015980432 556570925 /nfs/dbraw/zinc/57/09/25/556570925.db2.gz ARVCMSNOTCLCED-UHFFFAOYSA-N -1 0 448.903 4.470 50 0 IIAARM O=C(CCc1nnc(-c2cccc(OCc3ccccc3)c2)[n-]c1=O)NC1CCCCC1 ZINC000034764526 556582269 /nfs/dbraw/zinc/58/22/69/556582269.db2.gz NHTYSKMNWNNJDJ-UHFFFAOYSA-N -1 0 432.524 4.205 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000016156445 556585738 /nfs/dbraw/zinc/58/57/38/556585738.db2.gz CEVNGYRLZNOVGA-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCSCc2ccccc2)cc1 ZINC000016425913 556606515 /nfs/dbraw/zinc/60/65/15/556606515.db2.gz JJXNURIZSQAZHZ-UHFFFAOYSA-N -1 0 440.590 4.459 50 0 IIAARM COc1ccc(CCn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2C)cc1 ZINC000037867930 556610268 /nfs/dbraw/zinc/61/02/68/556610268.db2.gz LZLDVYGFNOXIJV-UHFFFAOYSA-N -1 0 432.505 4.014 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CCC3)[C@@H](C(=O)[O-])C1 ZINC000017097121 556661111 /nfs/dbraw/zinc/66/11/11/556661111.db2.gz BCBBDAMMUJMBBE-IRXDYDNUSA-N -1 0 430.570 4.295 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CCC3)cc1 ZINC000017102484 556666753 /nfs/dbraw/zinc/66/67/53/556666753.db2.gz IFHAEFQOWYCNBZ-DLBZAZTESA-N -1 0 438.549 4.081 50 0 IIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)cc1Cl ZINC000058366628 556783125 /nfs/dbraw/zinc/78/31/25/556783125.db2.gz FRVIIEDXYYLGGI-UHFFFAOYSA-N -1 0 425.894 4.362 50 0 IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000097940883 556810517 /nfs/dbraw/zinc/81/05/17/556810517.db2.gz XLLOFIGGDYBJJO-UHFFFAOYSA-N -1 0 442.541 4.022 50 0 IIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000019632157 556833122 /nfs/dbraw/zinc/83/31/22/556833122.db2.gz WRSHTJITLLTYBC-SJORKVTESA-N -1 0 440.565 4.386 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078661 556853765 /nfs/dbraw/zinc/85/37/65/556853765.db2.gz LAISSLDSDPOOBF-UHFFFAOYSA-N -1 0 425.485 4.164 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1C ZINC000033170612 556886155 /nfs/dbraw/zinc/88/61/55/556886155.db2.gz HRVJRRISBDWZIA-QXMHVHEDSA-N -1 0 441.509 4.230 50 0 IIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000033253928 556894318 /nfs/dbraw/zinc/89/43/18/556894318.db2.gz FLVSFVKSNWUUGA-UHFFFAOYSA-N -1 0 440.949 4.474 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C)CCCCC3)ccc2OC)cc1 ZINC000097102855 556987047 /nfs/dbraw/zinc/98/70/47/556987047.db2.gz DNBKHRGHUBUAAD-UHFFFAOYSA-N -1 0 432.542 4.414 50 0 IIAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053632 557026844 /nfs/dbraw/zinc/02/68/44/557026844.db2.gz MAPCMOKKULJQCW-UHFFFAOYSA-N -1 0 440.931 4.320 50 0 IIAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023157769 557030912 /nfs/dbraw/zinc/03/09/12/557030912.db2.gz AVVBKYBDWKIOKJ-IBGZPJMESA-N -1 0 439.972 4.370 50 0 IIAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)c1 ZINC000017249850 557042499 /nfs/dbraw/zinc/04/24/99/557042499.db2.gz QQKMRLOWBYXDGG-UHFFFAOYSA-N -1 0 448.504 4.254 50 0 IIAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000017252823 557043025 /nfs/dbraw/zinc/04/30/25/557043025.db2.gz SHJFURBJQUSCEO-UHFFFAOYSA-N -1 0 434.521 4.360 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c(C)c1 ZINC000033308046 557087382 /nfs/dbraw/zinc/08/73/82/557087382.db2.gz QXFLDSDYQMQBHX-UHFFFAOYSA-N -1 0 449.536 4.064 50 0 IIAARM CCOc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C)C3)cc1 ZINC000000722408 557151777 /nfs/dbraw/zinc/15/17/77/557151777.db2.gz GKLUOXBVSBKOCK-ZDUSSCGKSA-N -1 0 430.526 4.327 50 0 IIAARM COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1 ZINC000024747828 557161776 /nfs/dbraw/zinc/16/17/76/557161776.db2.gz PDPWYSWMSWNBQV-UHFFFAOYSA-N -1 0 438.553 4.205 50 0 IIAARM Cc1cc(C)n(-c2oc(-c3ccccc3)nc2C(=O)[N-]c2nonc2-c2ccccc2)n1 ZINC000072238682 557204486 /nfs/dbraw/zinc/20/44/86/557204486.db2.gz HKZKIBBGMWDEIB-UHFFFAOYSA-N -1 0 426.436 4.446 50 0 IIAARM COc1ccc(OC)c(C2c3c(oc4ccc(C)cc4c3=O)C([O-])=C2c2nncs2)c1 ZINC000011614298 557210780 /nfs/dbraw/zinc/21/07/80/557210780.db2.gz HXVRPCULRVNSNC-MJGOQNOKSA-N -1 0 434.473 4.082 50 0 IIAARM COc1cc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc(OC)c1 ZINC000098072813 557233012 /nfs/dbraw/zinc/23/30/12/557233012.db2.gz USFOZMGUIOYDFR-UHFFFAOYSA-N -1 0 440.237 4.286 50 0 IIAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)cc3Cl)c([O-])c3cccnc32)c1 ZINC000101722171 557294495 /nfs/dbraw/zinc/29/44/95/557294495.db2.gz YGFKDEHCTGOYCD-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101983635 557309710 /nfs/dbraw/zinc/30/97/10/557309710.db2.gz YQZRPTQEYVZQFT-CQSZACIVSA-N -1 0 438.896 4.197 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000102820948 557393827 /nfs/dbraw/zinc/39/38/27/557393827.db2.gz VGCMMLPTEOTLBC-KRWDZBQOSA-N -1 0 429.263 4.426 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000100700518 557454916 /nfs/dbraw/zinc/45/49/16/557454916.db2.gz FTKDWKUWSFBEAD-RBUKOAKNSA-N -1 0 435.871 4.105 50 0 IIAARM O=S(=O)([N-]c1cccc(Br)c1)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914424 557513809 /nfs/dbraw/zinc/51/38/09/557513809.db2.gz LMULDTSTZJVBMW-UHFFFAOYSA-N -1 0 445.298 4.295 50 0 IIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c(OC)c1OC ZINC000044920118 557540840 /nfs/dbraw/zinc/54/08/40/557540840.db2.gz UQOXNTJHCBYNLH-OAHLLOKOSA-N -1 0 440.427 4.464 50 0 IIAARM Cc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C ZINC000045941166 557549590 /nfs/dbraw/zinc/54/95/90/557549590.db2.gz SZDCAUNRVXZTSW-UHFFFAOYSA-N -1 0 439.562 4.137 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)no1 ZINC000001904201 562925393 /nfs/dbraw/zinc/92/53/93/562925393.db2.gz JURMIMBGOLRDQR-UHFFFAOYSA-N -1 0 449.916 4.235 50 0 IIAARM C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-] ZINC000003775162 562937730 /nfs/dbraw/zinc/93/77/30/562937730.db2.gz IAIDUHCBNLFXEF-MNEFBYGVSA-N -1 0 429.563 4.043 50 0 in-man IIAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000008685759 562962619 /nfs/dbraw/zinc/96/26/19/562962619.db2.gz MMYIDQZBRXAODZ-QGZVFWFLSA-N -1 0 427.844 4.032 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000006025949 568740266 /nfs/dbraw/zinc/74/02/66/568740266.db2.gz QMWIOZXTKWOPAS-LFYBBSHMSA-N -1 0 442.928 4.200 50 0 IIAARM O=C([O-])c1ccc(Cl)c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000003670807 568754104 /nfs/dbraw/zinc/75/41/04/568754104.db2.gz ZETCSPNBXGJGCI-LIKPIUCQSA-N -1 0 429.859 4.435 50 0 IIAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccc(F)cc1 ZINC000001236712 568771698 /nfs/dbraw/zinc/77/16/98/568771698.db2.gz NOEDGJCDBFBMOO-JKIFEVAISA-N -1 0 449.912 4.419 50 0 IIAARM COc1ccc(-c2nnnn2C(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000001464732 568820191 /nfs/dbraw/zinc/82/01/91/568820191.db2.gz WAQIQALXYVMWIW-UHFFFAOYSA-N -1 0 449.536 4.397 50 0 IIAARM CCOC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146152 568846441 /nfs/dbraw/zinc/84/64/41/568846441.db2.gz XIZQFQVXNSMRGN-UHFFFAOYSA-N -1 0 442.468 4.056 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)no1 ZINC000006156132 568848265 /nfs/dbraw/zinc/84/82/65/568848265.db2.gz BMNGJJCCCPJFPP-CQSZACIVSA-N -1 0 449.916 4.152 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000239164767 568910652 /nfs/dbraw/zinc/91/06/52/568910652.db2.gz MWEHTOCLEHOHPA-FVQBIDKESA-N -1 0 444.553 4.225 50 0 IIAARM COc1cccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)c1 ZINC000064557737 568931916 /nfs/dbraw/zinc/93/19/16/568931916.db2.gz DDNDRWAIZGIYFP-OAQYLSRUSA-N -1 0 435.501 4.335 50 0 IIAARM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064557869 568931939 /nfs/dbraw/zinc/93/19/39/568931939.db2.gz ZYERDSMHMIDWIE-NRFANRHFSA-N -1 0 435.501 4.417 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)c1ccccc1F ZINC000064589509 568934633 /nfs/dbraw/zinc/93/46/33/568934633.db2.gz VTKFMSQBCKBIQK-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(N2CCCCC2)n1 ZINC000064801909 568961692 /nfs/dbraw/zinc/96/16/92/568961692.db2.gz YOERNDLYHPUMBM-UHFFFAOYSA-N -1 0 429.571 4.381 50 0 IIAARM COc1ccc(-c2nnc(-c3cc(S(=O)(=O)[N-]c4cccnc4)ccc3Cl)o2)cc1 ZINC000064988126 569082788 /nfs/dbraw/zinc/08/27/88/569082788.db2.gz XKAIADKDPUESMQ-UHFFFAOYSA-N -1 0 442.884 4.261 50 0 IIAARM CN1C(=O)[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c2cccc(Cl)c21 ZINC000036353306 569083931 /nfs/dbraw/zinc/08/39/31/569083931.db2.gz RHMJZZIMXVHDNZ-JOCHJYFZSA-N -1 0 438.892 4.371 50 0 IIAARM Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000036365747 569087000 /nfs/dbraw/zinc/08/70/00/569087000.db2.gz RRBVUHXIOGVLOB-BTYIYWSLSA-N -1 0 449.532 4.492 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000065115928 569107046 /nfs/dbraw/zinc/10/70/46/569107046.db2.gz FZMSIVFQKHMPBE-UHFFFAOYSA-N -1 0 449.916 4.380 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000065116177 569107216 /nfs/dbraw/zinc/10/72/16/569107216.db2.gz CKRDAJVGXZZZEU-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2OC)c1 ZINC000065116381 569107324 /nfs/dbraw/zinc/10/73/24/569107324.db2.gz VVUJLNIUUFQHDN-UHFFFAOYSA-N -1 0 443.525 4.289 50 0 IIAARM CCc1cccc(NC(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)c1 ZINC000065260924 569124257 /nfs/dbraw/zinc/12/42/57/569124257.db2.gz RHVIBSTWBBAIIO-UHFFFAOYSA-N -1 0 447.926 4.496 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000170612531 569146027 /nfs/dbraw/zinc/14/60/27/569146027.db2.gz OVBYMVWGWKEBNN-LJQANCHMSA-N -1 0 430.888 4.290 50 0 IIAARM O=S(=O)([N-]c1ccnc(-c2ccncc2)n1)c1ccc2cc(Br)ccc2c1 ZINC000170617346 569147202 /nfs/dbraw/zinc/14/72/02/569147202.db2.gz AMOPPJMQPYOAPD-UHFFFAOYSA-N -1 0 441.310 4.255 50 0 IIAARM CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000010059051 569152034 /nfs/dbraw/zinc/15/20/34/569152034.db2.gz TWJBLWOZDKYPSG-UHFFFAOYSA-N -1 0 427.482 4.201 50 0 IIAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002104977 569180352 /nfs/dbraw/zinc/18/03/52/569180352.db2.gz GTKUQIJIJCSTGU-FQEVSTJZSA-N -1 0 433.460 4.427 50 0 biogenic IIAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002104978 569180375 /nfs/dbraw/zinc/18/03/75/569180375.db2.gz GTKUQIJIJCSTGU-HXUWFJFHSA-N -1 0 433.460 4.427 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1C ZINC000002106518 569181203 /nfs/dbraw/zinc/18/12/03/569181203.db2.gz ZPZLESKQJJSYLM-HSZRJFAPSA-N -1 0 433.460 4.339 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002113628 569182234 /nfs/dbraw/zinc/18/22/34/569182234.db2.gz YDIVDHURCZICIL-AWEZNQCLSA-N -1 0 433.460 4.345 50 0 biogenic IIAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000027528026 569263492 /nfs/dbraw/zinc/26/34/92/569263492.db2.gz AABBYGDJKJYVLH-UHFFFAOYSA-N -1 0 435.867 4.118 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1 ZINC000013041597 569308181 /nfs/dbraw/zinc/30/81/81/569308181.db2.gz MFXDXYGFENAWRD-UHFFFAOYSA-N -1 0 433.599 4.424 50 0 IIAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccccc3Br)cc2s1 ZINC000013348712 569313217 /nfs/dbraw/zinc/31/32/17/569313217.db2.gz OPRXARUQNZBMHX-UHFFFAOYSA-N -1 0 441.332 4.074 50 0 IIAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1O ZINC000096115017 569382972 /nfs/dbraw/zinc/38/29/72/569382972.db2.gz LKNSDIPVTHXBNG-OAHLLOKOSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096116380 569383591 /nfs/dbraw/zinc/38/35/91/569383591.db2.gz BDKMMHQEDRPGOX-OAHLLOKOSA-N -1 0 444.395 4.041 50 0 biogenic IIAARM O=S(=O)([N-]c1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(Cl)s1 ZINC000096119621 569384645 /nfs/dbraw/zinc/38/46/45/569384645.db2.gz CPGOITZPWOMSAD-UHFFFAOYSA-N -1 0 432.914 4.238 50 0 IIAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694585 569470105 /nfs/dbraw/zinc/47/01/05/569470105.db2.gz OSFDMLXZXFHOSK-PGRDOPGGSA-N -1 0 444.318 4.178 50 0 IIAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000008705314 569470363 /nfs/dbraw/zinc/47/03/63/569470363.db2.gz WVCRUKDLJIHXHH-UHFFFAOYSA-N -1 0 431.322 4.379 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840947 569478371 /nfs/dbraw/zinc/47/83/71/569478371.db2.gz FLRWWQZNLHCARP-UHFFFAOYSA-N -1 0 430.570 4.438 50 0 IIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000008991752 569495340 /nfs/dbraw/zinc/49/53/40/569495340.db2.gz INXOXLHXXADSNB-QFIPXVFZSA-N -1 0 425.444 4.402 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NC2CCCCC2)ccc1C ZINC000009137024 569507154 /nfs/dbraw/zinc/50/71/54/569507154.db2.gz NRXFMXFSKBSHLU-UHFFFAOYSA-N -1 0 433.599 4.424 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000009152538 569507803 /nfs/dbraw/zinc/50/78/03/569507803.db2.gz VRMMNZRRROHBGS-CYBMUJFWSA-N -1 0 434.945 4.227 50 0 IIAARM CC(C)CCN1c2cc([N-]S(=O)(=O)c3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009174055 569509638 /nfs/dbraw/zinc/50/96/38/569509638.db2.gz RKTONWWSNYQQKO-UHFFFAOYSA-N -1 0 434.533 4.424 50 0 IIAARM CCCCN(C)C(=O)C(=C([O-])c1cc(Cl)ccc1Cl)n1cc(Cl)ccc1=O ZINC000009601548 569551602 /nfs/dbraw/zinc/55/16/02/569551602.db2.gz IJPFWMWYRNACAD-QGZVFWFLSA-N -1 0 429.731 4.491 50 0 IIAARM O=S(=O)([N-]c1nc(NCc2ccccc2Cl)n(-c2ccccc2)n1)c1ccccc1 ZINC000009410924 569531486 /nfs/dbraw/zinc/53/14/86/569531486.db2.gz SFVWRFCEBBFAJU-UHFFFAOYSA-N -1 0 439.928 4.334 50 0 IIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572181 569547698 /nfs/dbraw/zinc/54/76/98/569547698.db2.gz CJCBPPIUPFCLSU-UHFFFAOYSA-N -1 0 442.928 4.476 50 0 IIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000009645784 569556128 /nfs/dbraw/zinc/55/61/28/569556128.db2.gz XBVLYXSWZSJPIB-UHFFFAOYSA-N -1 0 433.507 4.020 50 0 IIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000009646318 569556292 /nfs/dbraw/zinc/55/62/92/569556292.db2.gz ILCKFMUPJUTLNX-UHFFFAOYSA-N -1 0 425.915 4.459 50 0 IIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)n1C ZINC000009685273 569560624 /nfs/dbraw/zinc/56/06/24/569560624.db2.gz QCFCJEPYOBWCGP-UHFFFAOYSA-N -1 0 437.993 4.421 50 0 IIAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1cccc(Oc3ccccc3)c1)N(C)C2=O ZINC000009776711 569567071 /nfs/dbraw/zinc/56/70/71/569567071.db2.gz LKELVPKRBWDCJZ-XZOQPEGZSA-N -1 0 433.460 4.491 50 0 IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009821673 569583487 /nfs/dbraw/zinc/58/34/87/569583487.db2.gz OJYVFOGTXVVJMS-UHFFFAOYSA-N -1 0 441.456 4.144 50 0 IIAARM CCCn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000033275364 569587388 /nfs/dbraw/zinc/58/73/88/569587388.db2.gz DYGHYPWLCSRZKQ-UHFFFAOYSA-N -1 0 437.569 4.074 50 0 IIAARM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4F)c3)nn2)CC1 ZINC000008609777 132287833 /nfs/dbraw/zinc/28/78/33/132287833.db2.gz JHHQYZKETFQDGT-UHFFFAOYSA-N -1 0 444.507 4.459 50 0 IIAARM CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000012137052 519838391 /nfs/dbraw/zinc/83/83/91/519838391.db2.gz QDEOSWVERXZRFW-HNNXBMFYSA-N -1 0 445.566 4.473 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000020515437 520797458 /nfs/dbraw/zinc/79/74/58/520797458.db2.gz FHPUWVIIXIHBQV-LJQANCHMSA-N -1 0 428.485 4.099 50 0 IIAARM COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)[O-])c3n2)ccc1OC(F)F ZINC000020604462 521895234 /nfs/dbraw/zinc/89/52/34/521895234.db2.gz RGDQNBXBYUKSKV-UHFFFAOYSA-N -1 0 431.317 4.120 50 0 IIAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)c(C)s2)no1 ZINC000035539349 522142458 /nfs/dbraw/zinc/14/24/58/522142458.db2.gz OQWAUVXWYDZZJU-UHFFFAOYSA-N -1 0 428.333 4.232 50 0 IIAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341924 522537297 /nfs/dbraw/zinc/53/72/97/522537297.db2.gz DDPKIHPWNBLTQI-IBGZPJMESA-N -1 0 426.492 4.485 50 0 IIAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854524 522540114 /nfs/dbraw/zinc/54/01/14/522540114.db2.gz IFKZIRORBRXLQP-FQEVSTJZSA-N -1 0 437.544 4.110 50 0 IIAARM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nc4ccccc4s3)o2)C1=O ZINC000012687570 523748320 /nfs/dbraw/zinc/74/83/20/523748320.db2.gz RJWDPKWNVBTRDR-QHCPKHFHSA-N -1 0 446.488 4.058 50 0 IIAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000012631050 523971586 /nfs/dbraw/zinc/97/15/86/523971586.db2.gz RHKKUPOUCNJFGT-UHFFFAOYSA-N -1 0 444.578 4.147 50 0 IIAARM C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000012782730 524541303 /nfs/dbraw/zinc/54/13/03/524541303.db2.gz MVYWFBXCZJGMRX-STQMWFEESA-N -1 0 443.352 4.044 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000239377815 524722679 /nfs/dbraw/zinc/72/26/79/524722679.db2.gz OCUXDLNCESLBAS-FVQBIDKESA-N -1 0 442.537 4.001 50 0 IIAARM COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000012420446 525173168 /nfs/dbraw/zinc/17/31/68/525173168.db2.gz GQAHBFYWMPDANU-LJQANCHMSA-N -1 0 425.462 4.089 50 0 IIAARM Cc1c2c(cc(=O)n1CCSc1ccc(Cl)cc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012389392 525933320 /nfs/dbraw/zinc/93/33/20/525933320.db2.gz DFFPEPKAKMNSEF-UHFFFAOYSA-N -1 0 429.904 4.374 50 0 IIAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022609724 526332494 /nfs/dbraw/zinc/33/24/94/526332494.db2.gz AKTNMILQXJRIDD-SFHVURJKSA-N -1 0 443.935 4.201 50 0 IIAARM O=C([O-])c1ccc(NN2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000239433022 526379620 /nfs/dbraw/zinc/37/96/20/526379620.db2.gz XCLRHJNPXYKTOV-NEWJYFPISA-N -1 0 438.483 4.450 50 0 IIAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017103063 527018211 /nfs/dbraw/zinc/01/82/11/527018211.db2.gz NXZGRUAULRAGJW-NEPJUHHUSA-N -1 0 439.320 4.426 50 0 IIAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022627047 527207228 /nfs/dbraw/zinc/20/72/28/527207228.db2.gz SSMJMSJHTVKCSI-NRFANRHFSA-N -1 0 433.581 4.020 50 0 IIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(Br)c1 ZINC000012605852 527245038 /nfs/dbraw/zinc/24/50/38/527245038.db2.gz XIJWVIMXEILGOD-UHFFFAOYSA-N -1 0 446.248 4.454 50 0 IIAARM O=S(=O)([N-]c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1)c1cccs1 ZINC000021702620 527246551 /nfs/dbraw/zinc/24/65/51/527246551.db2.gz MZBMMABIEUMENS-UHFFFAOYSA-N -1 0 431.470 4.317 50 0 IIAARM O=C([O-])CCn1c(SCCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1 ZINC000012779090 527602669 /nfs/dbraw/zinc/60/26/69/527602669.db2.gz KNVSQXRYEHXPRT-UHFFFAOYSA-N -1 0 442.566 4.091 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)c1C ZINC000000914993 555583155 /nfs/dbraw/zinc/58/31/55/555583155.db2.gz MPVODKSJVLQQNI-UHFFFAOYSA-N -1 0 443.525 4.035 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000001220863 555686037 /nfs/dbraw/zinc/68/60/37/555686037.db2.gz JVGQDQDURUBNNW-SIAIGSQXSA-N -1 0 445.474 4.475 50 0 IIAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000001796549 555716595 /nfs/dbraw/zinc/71/65/95/555716595.db2.gz IIJGIVWYTYABOT-WJDWOHSUSA-N -1 0 430.869 4.103 50 0 IIAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc(OC)c1 ZINC000002195248 555756842 /nfs/dbraw/zinc/75/68/42/555756842.db2.gz DFCLKBIWWNGXFG-UHFFFAOYSA-N -1 0 442.522 4.253 50 0 IIAARM CC(=O)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002243991 555761515 /nfs/dbraw/zinc/76/15/15/555761515.db2.gz MKHDZWYAQYTGRJ-DEOSSOPVSA-N -1 0 429.472 4.424 50 0 IIAARM CC(C)(C)OC(=O)[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002555082 555787258 /nfs/dbraw/zinc/78/72/58/555787258.db2.gz GOPWHXPXSPIIQZ-HXUWFJFHSA-N -1 0 425.481 4.100 50 0 biogenic IIAARM CC(C)(C)OC(=O)C[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002577887 555788595 /nfs/dbraw/zinc/78/85/95/555788595.db2.gz LZDHCALVMGCTSL-MRXNPFEDSA-N -1 0 439.508 4.490 50 0 IIAARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c(OC)c1 ZINC000008442272 556177456 /nfs/dbraw/zinc/17/74/56/556177456.db2.gz RCUSGBLXCVEOPJ-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2cc(C(=O)OC(C)C)cc(C(=O)OC(C)C)c2)[C@H](C(=O)[O-])C1 ZINC000008454450 556185280 /nfs/dbraw/zinc/18/52/80/556185280.db2.gz ZZAGQSGKZPKVQD-VQTJNVASSA-N -1 0 445.512 4.203 50 0 IIAARM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccc(O)cc1 ZINC000009094805 556246095 /nfs/dbraw/zinc/24/60/95/556246095.db2.gz RGANZTPCLJEOKA-UHFFFAOYSA-N -1 0 429.270 4.024 50 0 IIAARM O=C(Nc1ccc(O)cc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013736510 556297826 /nfs/dbraw/zinc/29/78/26/556297826.db2.gz MCEXTWXNSHWQHW-UHFFFAOYSA-N -1 0 425.491 4.055 50 0 IIAARM COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1 ZINC000010060173 556324438 /nfs/dbraw/zinc/32/44/38/556324438.db2.gz ZSKZKBZOVQNFNY-VWLOTQADSA-N -1 0 442.471 4.482 50 0 IIAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013005270 556434776 /nfs/dbraw/zinc/43/47/76/556434776.db2.gz PEVZMNRHRBTIOF-ROUUACIJSA-N -1 0 448.928 4.055 50 0 IIAARM O=C([O-])c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCc3ccc(F)cc3Cl)nc2c1 ZINC000013053087 556448578 /nfs/dbraw/zinc/44/85/78/556448578.db2.gz NHXXITQIFAUNMV-OAHLLOKOSA-N -1 0 448.903 4.359 50 0 IIAARM CCOC(=O)[C@@]([N-]c1cc(Cl)ccc1OC)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003103144 556522621 /nfs/dbraw/zinc/52/26/21/556522621.db2.gz LCJVVUMKLOTMQE-GOSISDBHSA-N -1 0 430.810 4.012 50 0 IIAARM CCc1c([O-])nc(SCC(=O)Nc2cccc(Cl)c2C)n(-c2ccc(F)cc2)c1=O ZINC000015837576 556556099 /nfs/dbraw/zinc/55/60/99/556556099.db2.gz IQFOEJSATIBAMR-UHFFFAOYSA-N -1 0 447.919 4.332 50 0 IIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2N2CCc3sccc3C2)cc1 ZINC000032915908 556613272 /nfs/dbraw/zinc/61/32/72/556613272.db2.gz XICYDEFGPHHBOP-UHFFFAOYSA-N -1 0 442.562 4.129 50 0 IIAARM COc1ccccc1CN(C)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC000032999774 556653470 /nfs/dbraw/zinc/65/34/70/556653470.db2.gz SSCSXLUULXGLEP-UHFFFAOYSA-N -1 0 429.108 4.198 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000032999903 556653472 /nfs/dbraw/zinc/65/34/72/556653472.db2.gz USRYDFNKXGMJRV-UHFFFAOYSA-N -1 0 449.532 4.467 50 0 IIAARM Cc1sc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017094962 556658381 /nfs/dbraw/zinc/65/83/81/556658381.db2.gz PIYRNWOWYSNVGD-UQVLAFNGSA-N -1 0 426.538 4.206 50 0 IIAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017096056 556659765 /nfs/dbraw/zinc/65/97/65/556659765.db2.gz MAMMNSNZBRSHOJ-HNNXBMFYSA-N -1 0 428.554 4.386 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(O)c(OC)c2)CC(=O)N3)cc1 ZINC000061719314 556726407 /nfs/dbraw/zinc/72/64/07/556726407.db2.gz JHKQBPKLHFFEJN-CQSZACIVSA-N -1 0 425.462 4.310 50 0 IIAARM Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000010656876 556755604 /nfs/dbraw/zinc/75/56/04/556755604.db2.gz YEXQKYDSRPSYLK-UHFFFAOYSA-N -1 0 431.926 4.389 50 0 IIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(C)nn(-c2ccccc2)c1C ZINC000058086425 556757397 /nfs/dbraw/zinc/75/73/97/556757397.db2.gz BEFGEWOQFLPFAP-UHFFFAOYSA-N -1 0 436.331 4.061 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCC3)cc1 ZINC000019632098 556832853 /nfs/dbraw/zinc/83/28/53/556832853.db2.gz IZXOFHOHHWROPP-DLBZAZTESA-N -1 0 440.565 4.305 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000019636219 556835300 /nfs/dbraw/zinc/83/53/00/556835300.db2.gz AEBPFNHYDOBBQN-HZPDHXFCSA-N -1 0 442.537 4.485 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000019636251 556835321 /nfs/dbraw/zinc/83/53/21/556835321.db2.gz CIHSSMSITUMPGT-KGLIPLIRSA-N -1 0 442.537 4.327 50 0 IIAARM COc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000019636255 556835346 /nfs/dbraw/zinc/83/53/46/556835346.db2.gz CIHSSMSITUMPGT-KBPBESRZSA-N -1 0 442.537 4.327 50 0 IIAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000033253849 556893889 /nfs/dbraw/zinc/89/38/89/556893889.db2.gz RXOJWWHYDOPIOG-UHFFFAOYSA-N -1 0 426.922 4.084 50 0 IIAARM O=C(c1ccc2cc[nH]c2c1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097137305 556991765 /nfs/dbraw/zinc/99/17/65/556991765.db2.gz LLWUCXJAZNEPQC-UHFFFAOYSA-N -1 0 443.894 4.023 50 0 IIAARM CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020325959 557008064 /nfs/dbraw/zinc/00/80/64/557008064.db2.gz NDEAGCKSZUCYJZ-LYBHJNIJSA-N -1 0 445.563 4.483 50 0 IIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1-c1nc(C(C)C)no1 ZINC000046020335 557020992 /nfs/dbraw/zinc/02/09/92/557020992.db2.gz YFBYUTCQVIVGKW-UHFFFAOYSA-N -1 0 447.513 4.077 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053564 557026370 /nfs/dbraw/zinc/02/63/70/557026370.db2.gz JINYCEVSHRIPNI-UHFFFAOYSA-N -1 0 434.540 4.365 50 0 IIAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053622 557026813 /nfs/dbraw/zinc/02/68/13/557026813.db2.gz GVWNSYFOYYMDSW-UHFFFAOYSA-N -1 0 440.931 4.320 50 0 IIAARM CCOC(=O)[N-]c1nn(CN(C)Cc2c(C)nn(-c3ccccc3C)c2C)c(=S)s1 ZINC000048366205 557074937 /nfs/dbraw/zinc/07/49/37/557074937.db2.gz GYIZWJGUWFSACY-UHFFFAOYSA-N -1 0 446.602 4.443 50 0 IIAARM CCOc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C)C3)cc1 ZINC000000722409 557151711 /nfs/dbraw/zinc/15/17/11/557151711.db2.gz GKLUOXBVSBKOCK-CYBMUJFWSA-N -1 0 430.526 4.327 50 0 IIAARM O=C([O-])[C@H](CCCNc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096024364 557163036 /nfs/dbraw/zinc/16/30/36/557163036.db2.gz IYEJDOMBOVEXCA-QFIPXVFZSA-N -1 0 431.492 4.266 50 0 IIAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 ZINC000008744494 557171087 /nfs/dbraw/zinc/17/10/87/557171087.db2.gz DANCQTGKXCVGDT-UHFFFAOYSA-N -1 0 429.295 4.427 50 0 IIAARM Cc1nnc(SCc2cc(=O)n3[n-]c(C)c(-c4ccc(Br)cc4)c3n2)s1 ZINC000100137755 557242138 /nfs/dbraw/zinc/24/21/38/557242138.db2.gz ABBFDQJTXPQUPS-UHFFFAOYSA-N -1 0 448.371 4.213 50 0 IIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)[nH]c1=O ZINC000101766590 557295853 /nfs/dbraw/zinc/29/58/53/557295853.db2.gz FGADVGNVQHISIW-IBGZPJMESA-N -1 0 437.521 4.106 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000102820849 557393813 /nfs/dbraw/zinc/39/38/13/557393813.db2.gz OXYXKMJJOHQRPG-QGZVFWFLSA-N -1 0 429.263 4.426 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nccn1-c1cc(C)ccc1C)c1nc(C)cs1 ZINC000103076360 557418303 /nfs/dbraw/zinc/41/83/03/557418303.db2.gz UTHAFIOTCBEYRO-GOSISDBHSA-N -1 0 429.567 4.262 50 0 IIAARM Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C ZINC000001786418 562924681 /nfs/dbraw/zinc/92/46/81/562924681.db2.gz TUNMGGFLUQICPA-UHFFFAOYSA-N -1 0 445.566 4.358 50 0 IIAARM CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012478204 562982286 /nfs/dbraw/zinc/98/22/86/562982286.db2.gz NIJDYRWVCFKWIL-XJYIODQPSA-N -1 0 445.556 4.297 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(C(F)(F)F)c1 ZINC000000945476 568643330 /nfs/dbraw/zinc/64/33/30/568643330.db2.gz XFXLXRSOVSDYLJ-UHFFFAOYSA-N -1 0 427.429 4.215 50 0 IIAARM O=S(=O)([N-]c1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F)c1cccs1 ZINC000001390615 568785159 /nfs/dbraw/zinc/78/51/59/568785159.db2.gz PPGJKKJZLJSZJO-UHFFFAOYSA-N -1 0 442.366 4.167 50 0 IIAARM COc1cc2c(cc1OC)[C@H](OC(=O)Nc1ccc(C)cc1)C[C@H]2[N-]C(=O)C(F)(F)F ZINC000001399330 568785846 /nfs/dbraw/zinc/78/58/46/568785846.db2.gz BUJVQXCEDZBTOO-HZPDHXFCSA-N -1 0 438.402 4.425 50 0 IIAARM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001462215 568819861 /nfs/dbraw/zinc/81/98/61/568819861.db2.gz BDVAUNJGBPNXDO-YCRREMRBSA-N -1 0 449.319 4.236 50 0 IIAARM O=C(NCCc1c[nH]c2ccccc12)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147272 568846202 /nfs/dbraw/zinc/84/62/02/568846202.db2.gz TULPPYQUKWFEBS-UHFFFAOYSA-N -1 0 425.535 4.003 50 0 IIAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006156127 568848225 /nfs/dbraw/zinc/84/82/25/568848225.db2.gz GASKOROPHWTUTL-GFCCVEGCSA-N -1 0 437.930 4.003 50 0 IIAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccc(F)cc1 ZINC000015862116 568848726 /nfs/dbraw/zinc/84/87/26/568848726.db2.gz ZALQOHFHLLALJI-UHFFFAOYSA-N -1 0 427.482 4.489 50 0 IIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](c2cccc(O)c2)CC(=O)O3)c1=O ZINC000524729204 568903805 /nfs/dbraw/zinc/90/38/05/568903805.db2.gz IQGCBSHSYIAFDQ-MRXNPFEDSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064558159 568932135 /nfs/dbraw/zinc/93/21/35/568932135.db2.gz WOCSPRCYWOTTCG-NRFANRHFSA-N -1 0 435.501 4.335 50 0 IIAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589973 568935192 /nfs/dbraw/zinc/93/51/92/568935192.db2.gz DZKNYSXTLOOOPJ-UHFFFAOYSA-N -1 0 425.529 4.095 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092872 568951579 /nfs/dbraw/zinc/95/15/79/568951579.db2.gz DVBCYDGDKCRHIT-CKEIUWERSA-N -1 0 442.585 4.270 50 0 IIAARM COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)cc1 ZINC000064797100 568960694 /nfs/dbraw/zinc/96/06/94/568960694.db2.gz CTODMOHQKDCNHE-INIZCTEOSA-N -1 0 437.473 4.383 50 0 IIAARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000064820340 568967026 /nfs/dbraw/zinc/96/70/26/568967026.db2.gz OEMUJRPGPYEVHX-UHFFFAOYSA-N -1 0 430.888 4.070 50 0 IIAARM CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c2cccc(Cl)c21 ZINC000036353305 569083899 /nfs/dbraw/zinc/08/38/99/569083899.db2.gz RHMJZZIMXVHDNZ-QFIPXVFZSA-N -1 0 438.892 4.371 50 0 IIAARM Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3cccc(C(=O)[O-])c3)o1)CC(=O)N2 ZINC000036359176 569085634 /nfs/dbraw/zinc/08/56/34/569085634.db2.gz XYRGCENPACSXHG-CQSZACIVSA-N -1 0 449.854 4.056 50 0 IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1 ZINC000065009060 569087888 /nfs/dbraw/zinc/08/78/88/569087888.db2.gz CWVXPENKRGFLDF-UHFFFAOYSA-N -1 0 435.571 4.364 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021092 569088678 /nfs/dbraw/zinc/08/86/78/569088678.db2.gz YWIICTXYMRFKFD-UHFFFAOYSA-N -1 0 436.961 4.430 50 0 IIAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098704 569104168 /nfs/dbraw/zinc/10/41/68/569104168.db2.gz USSNPGFAJHMEKF-UHFFFAOYSA-N -1 0 444.307 4.378 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000065115982 569106996 /nfs/dbraw/zinc/10/69/96/569106996.db2.gz LDSRKSPMOIAXLB-UHFFFAOYSA-N -1 0 449.916 4.380 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000065115926 569107050 /nfs/dbraw/zinc/10/70/50/569107050.db2.gz XVOUTICJOKTNAG-UHFFFAOYSA-N -1 0 449.916 4.380 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000065116206 569107248 /nfs/dbraw/zinc/10/72/48/569107248.db2.gz OCCHIADZMNITDO-UHFFFAOYSA-N -1 0 447.488 4.119 50 0 IIAARM COc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1Cl ZINC000037019023 569139634 /nfs/dbraw/zinc/13/96/34/569139634.db2.gz LWOBIILIARMYRT-KXXVWKPMSA-N -1 0 448.928 4.437 50 0 IIAARM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nnn1Cc1ccccc1F ZINC000170617446 569147391 /nfs/dbraw/zinc/14/73/91/569147391.db2.gz GXMRBNLSCJLIOH-UHFFFAOYSA-N -1 0 448.829 4.247 50 0 IIAARM COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000010059749 569152309 /nfs/dbraw/zinc/15/23/09/569152309.db2.gz YQNAVMGYJRZGCX-UHFFFAOYSA-N -1 0 444.940 4.388 50 0 IIAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c1 ZINC000013696358 569156693 /nfs/dbraw/zinc/15/66/93/569156693.db2.gz STUMUBCGFQKRSZ-UHFFFAOYSA-N -1 0 428.554 4.138 50 0 IIAARM COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000089651364 569160671 /nfs/dbraw/zinc/16/06/71/569160671.db2.gz JQTKIEZZINBFTM-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CC[C@H](C)C2 ZINC000017096060 569173194 /nfs/dbraw/zinc/17/31/94/569173194.db2.gz VSGQYJJJBFYKBC-GJZGRUSLSA-N -1 0 428.554 4.242 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)occ3-c1ccccc1 ZINC000002102384 569179873 /nfs/dbraw/zinc/17/98/73/569179873.db2.gz TZPVCMQRWBBKPH-UHFFFAOYSA-N -1 0 445.471 4.380 50 0 biogenic IIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc1c2C ZINC000002107365 569181224 /nfs/dbraw/zinc/18/12/24/569181224.db2.gz MXDOBYPFKRBABU-NRFANRHFSA-N -1 0 433.460 4.339 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(C)c3cc2c1C ZINC000002106514 569181229 /nfs/dbraw/zinc/18/12/29/569181229.db2.gz ZPZLESKQJJSYLM-QHCPKHFHSA-N -1 0 433.460 4.339 50 0 biogenic IIAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000170671381 569194725 /nfs/dbraw/zinc/19/47/25/569194725.db2.gz LYMVDXKLUMPEEJ-UHFFFAOYSA-N -1 0 444.491 4.239 50 0 IIAARM CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002428628 569302759 /nfs/dbraw/zinc/30/27/59/569302759.db2.gz IUFXVDUBHHQRQO-UHFFFAOYSA-N -1 0 428.543 4.037 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NCc4ccco4)cc3s2)cc1 ZINC000013349084 569313224 /nfs/dbraw/zinc/31/32/24/569313224.db2.gz PTSXRJWLZGTSPS-UHFFFAOYSA-N -1 0 442.522 4.320 50 0 IIAARM CC(C)(C)OC(=O)N=c1s[n-]nc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000079097256 569325411 /nfs/dbraw/zinc/32/54/11/569325411.db2.gz IYKSYXQENGDXFG-UHFFFAOYSA-N -1 0 434.909 4.036 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N[C@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000020330374 569360771 /nfs/dbraw/zinc/36/07/71/569360771.db2.gz XPNKAJBXTMGDGL-SFHVURJKSA-N -1 0 448.548 4.133 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000020330566 569360797 /nfs/dbraw/zinc/36/07/97/569360797.db2.gz IHVOIBVSEYPUEK-UHFFFAOYSA-N -1 0 428.558 4.168 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N(C)C4CCCCC4)c3=O)c2c1 ZINC000020330641 569361017 /nfs/dbraw/zinc/36/10/17/569361017.db2.gz RRLGTGXIJOUAKD-UHFFFAOYSA-N -1 0 428.558 4.120 50 0 IIAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)ccc1O ZINC000096115122 569383163 /nfs/dbraw/zinc/38/31/63/569383163.db2.gz YEGUFAVHZFFLEF-HNNXBMFYSA-N -1 0 446.411 4.026 50 0 biogenic IIAARM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002626265 569411751 /nfs/dbraw/zinc/41/17/51/569411751.db2.gz OMVYITHFMVWLAN-UHFFFAOYSA-N -1 0 444.516 4.126 50 0 IIAARM O=C(NCc1ccccc1F)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002932266 569426134 /nfs/dbraw/zinc/42/61/34/569426134.db2.gz SJIULTCAXGIUNW-UHFFFAOYSA-N -1 0 431.558 4.382 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2cc1OCC ZINC000003010326 569435347 /nfs/dbraw/zinc/43/53/47/569435347.db2.gz UAJNXHQPBJXLEH-BFYDXBDKSA-N -1 0 447.601 4.187 50 0 IIAARM O=C(NCc1ccccn1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003051682 569439314 /nfs/dbraw/zinc/43/93/14/569439314.db2.gz GRYUOIQPYLUOEY-UHFFFAOYSA-N -1 0 436.924 4.086 50 0 IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4cccc(C)c4)cc3[n-]c2=S)cc1 ZINC000003632265 569455398 /nfs/dbraw/zinc/45/53/98/569455398.db2.gz GQSPFEPHOFGNDV-UHFFFAOYSA-N -1 0 431.517 4.303 50 0 IIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3[n-]c2=S)cc1 ZINC000003632272 569455408 /nfs/dbraw/zinc/45/54/08/569455408.db2.gz BADNHOXFXWEVTR-UHFFFAOYSA-N -1 0 447.516 4.003 50 0 IIAARM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4c2cccc4OC)CC3)cc1 ZINC000031815033 569457913 /nfs/dbraw/zinc/45/79/13/569457913.db2.gz LWJZICHEBPDXAW-JOCHJYFZSA-N -1 0 449.532 4.493 50 0 IIAARM COc1cccc(-c2nc(C(=O)N[C@@H](CCSC)C(=O)[O-])cc3c4ccccc4[nH]c32)c1 ZINC000059485914 569461630 /nfs/dbraw/zinc/46/16/30/569461630.db2.gz DDRMAJYOGFCEKO-IBGZPJMESA-N -1 0 449.532 4.328 50 0 biogenic IIAARM COc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3[n-]c2=S)cc1OC ZINC000067341251 569469034 /nfs/dbraw/zinc/46/90/34/569469034.db2.gz SMDORZGRINDZIA-UHFFFAOYSA-N -1 0 447.582 4.015 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 ZINC000008977473 569493062 /nfs/dbraw/zinc/49/30/62/569493062.db2.gz LKRJFUJPKMSMMK-UHFFFAOYSA-N -1 0 436.533 4.003 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000009002263 569496034 /nfs/dbraw/zinc/49/60/34/569496034.db2.gz PXYYIPDBIBQJSE-UHFFFAOYSA-N -1 0 445.518 4.082 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000040310044 569498832 /nfs/dbraw/zinc/49/88/32/569498832.db2.gz AMYBAVSRXPTBSU-GOSISDBHSA-N -1 0 441.285 4.050 50 0 biogenic IIAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(Br)cc2C[C@H]1C ZINC000040450580 569506316 /nfs/dbraw/zinc/50/63/16/569506316.db2.gz NLJAUIHQQYBHNX-SNVBAGLBSA-N -1 0 443.750 4.201 50 0 IIAARM CCCN1c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2OCC(C)(C)C1=O ZINC000009171985 569509451 /nfs/dbraw/zinc/50/94/51/569509451.db2.gz NWPXFRWDXFYHFM-UHFFFAOYSA-N -1 0 428.963 4.364 50 0 IIAARM CCCN1c2cc([N-]S(=O)(=O)c3cc(C)ccc3OCC)ccc2OCC(C)(C)C1=O ZINC000009172090 569509508 /nfs/dbraw/zinc/50/95/08/569509508.db2.gz BIOHPWQTFHDYJM-UHFFFAOYSA-N -1 0 446.569 4.356 50 0 IIAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000009203202 569511227 /nfs/dbraw/zinc/51/12/27/569511227.db2.gz RQJQAUPALCXWAO-UHFFFAOYSA-N -1 0 449.532 4.175 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1)occ3C(C)(C)C ZINC000009306480 569521317 /nfs/dbraw/zinc/52/13/17/569521317.db2.gz WHEPKPBGDYNKDV-AWEZNQCLSA-N -1 0 425.481 4.011 50 0 IIAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009339460 569523748 /nfs/dbraw/zinc/52/37/48/569523748.db2.gz XGGHHLQKTDBZFE-UHFFFAOYSA-N -1 0 437.230 4.394 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 ZINC000009507376 569542035 /nfs/dbraw/zinc/54/20/35/569542035.db2.gz ILEPPCUHQXKDTC-UHFFFAOYSA-N -1 0 446.912 4.410 50 0 IIAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c2cc3ccccc3nc21 ZINC000009510484 569542756 /nfs/dbraw/zinc/54/27/56/569542756.db2.gz MEAQYKQMSUDSKJ-UHFFFAOYSA-N -1 0 437.525 4.144 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000009546074 569546204 /nfs/dbraw/zinc/54/62/04/569546204.db2.gz UXZRMAVWADYBIJ-NHCUHLMSSA-N -1 0 449.511 4.364 50 0 IIAARM CCN(CCCNC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1cccc(C)c1 ZINC000009560568 569547133 /nfs/dbraw/zinc/54/71/33/569547133.db2.gz HTCAGGNXIWMOII-UHFFFAOYSA-N -1 0 427.932 4.403 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000009707421 569561513 /nfs/dbraw/zinc/56/15/13/569561513.db2.gz DUROBABMBXZJCQ-UHFFFAOYSA-N -1 0 449.532 4.120 50 0 IIAARM Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000009707407 569561517 /nfs/dbraw/zinc/56/15/17/569561517.db2.gz KGCIBHSHYBPBIY-UHFFFAOYSA-N -1 0 441.459 4.082 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)s1 ZINC000010381869 569581721 /nfs/dbraw/zinc/58/17/21/569581721.db2.gz CJXMADDBJKDWOH-UHFFFAOYSA-N -1 0 442.566 4.032 50 0 IIAARM CCN(CC)C1=C(c2c(C)[n-]n(-c3cccc(C)c3C)c2=O)C(=O)N(c2ccccc2)C1=O ZINC000035960790 520569435 /nfs/dbraw/zinc/56/94/35/520569435.db2.gz RFHPEWFQHNMRMA-UHFFFAOYSA-N -1 0 444.535 4.129 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)[C@H](C(=O)[O-])C1 ZINC000035898100 520840306 /nfs/dbraw/zinc/84/03/06/520840306.db2.gz LFSGXKDCVQJAGS-VNQPRFMTSA-N -1 0 432.586 4.384 50 0 IIAARM CCc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854527 522536336 /nfs/dbraw/zinc/53/63/36/522536336.db2.gz IFKZIRORBRXLQP-HXUWFJFHSA-N -1 0 437.544 4.110 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000239030910 523371569 /nfs/dbraw/zinc/37/15/69/523371569.db2.gz COGSIPNZUBGEDC-AQCOTGTMSA-N -1 0 444.597 4.231 50 0 IIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc2[n-]c1=S ZINC000012552946 523496607 /nfs/dbraw/zinc/49/66/07/523496607.db2.gz JBAYTSWYICSCPV-UHFFFAOYSA-N -1 0 440.550 4.266 50 0 IIAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000021882320 523742562 /nfs/dbraw/zinc/74/25/62/523742562.db2.gz LUZXWNUIMJCEOR-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H]2C)ccc1N1CCCCC1 ZINC000012536050 524643039 /nfs/dbraw/zinc/64/30/39/524643039.db2.gz YZJUKWVZMNPALU-AEFFLSMTSA-N -1 0 443.569 4.081 50 0 IIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000012557068 524645911 /nfs/dbraw/zinc/64/59/11/524645911.db2.gz IYPSMGBARXVBST-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000016513429 525271994 /nfs/dbraw/zinc/27/19/94/525271994.db2.gz SBWPREYUSXTVBK-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1C(=O)N1CCCCC1 ZINC000020989782 525414012 /nfs/dbraw/zinc/41/40/12/525414012.db2.gz DSZZYZFNLJWAQS-UHFFFAOYSA-N -1 0 429.464 4.077 50 0 IIAARM CSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000011865606 525547695 /nfs/dbraw/zinc/54/76/95/525547695.db2.gz HZJOTKSBRQXDPX-GOSISDBHSA-N -1 0 445.537 4.028 50 0 IIAARM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012894141 525615334 /nfs/dbraw/zinc/61/53/34/525615334.db2.gz QYKQOZIRHBALFU-ROUUACIJSA-N -1 0 448.928 4.055 50 0 IIAARM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c1O ZINC000020492317 525705136 /nfs/dbraw/zinc/70/51/36/525705136.db2.gz ANXHREOLMASWEW-UHFFFAOYSA-N -1 0 440.253 4.467 50 0 IIAARM Cc1oc(-c2ccccc2C)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000020989076 526741455 /nfs/dbraw/zinc/74/14/55/526741455.db2.gz ZNLVYYMBRSIKBG-MOPGFXCFSA-N -1 0 435.871 4.105 50 0 IIAARM O=C1OC(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)=N/C1=C\c1ccco1 ZINC000012630420 527092871 /nfs/dbraw/zinc/09/28/71/527092871.db2.gz TWUFLXHTZPTQJJ-BOPFTXTBSA-N -1 0 446.843 4.217 50 0 IIAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCC(C)CC1)nc3-c1ccccc1 ZINC000020154965 527114166 /nfs/dbraw/zinc/11/41/66/527114166.db2.gz BMSTWTWIUUUJTE-UHFFFAOYSA-N -1 0 444.539 4.210 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)c1C ZINC000000622530 555511122 /nfs/dbraw/zinc/51/11/22/555511122.db2.gz HNNJBMSTSZGJMQ-UHFFFAOYSA-N -1 0 449.916 4.072 50 0 IIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)n1 ZINC000000682220 555538038 /nfs/dbraw/zinc/53/80/38/555538038.db2.gz YIFIPLFJRRCZMS-UHFFFAOYSA-N -1 0 446.532 4.229 50 0 IIAARM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000785135 555556049 /nfs/dbraw/zinc/55/60/49/555556049.db2.gz OJSRQAHQKYZTLC-UHFFFAOYSA-N -1 0 445.566 4.259 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c(Cl)c1Cl ZINC000000802927 555559368 /nfs/dbraw/zinc/55/93/68/555559368.db2.gz UCBBPXVPAVMWOK-UHFFFAOYSA-N -1 0 429.325 4.039 50 0 IIAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000000887995 555579325 /nfs/dbraw/zinc/57/93/25/555579325.db2.gz GVNBOLHRCYWTAQ-UHFFFAOYSA-N -1 0 444.896 4.400 50 0 IIAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001140043 555649427 /nfs/dbraw/zinc/64/94/27/555649427.db2.gz IKGRQVJPQOCQOV-MKMNVTDBSA-N -1 0 427.671 4.415 50 0 IIAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001149941 555655792 /nfs/dbraw/zinc/65/57/92/555655792.db2.gz XRRWGVPBMFRRJS-UHFFFAOYSA-N -1 0 437.359 4.312 50 0 IIAARM CC(C)(C)OC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002555083 555787308 /nfs/dbraw/zinc/78/73/08/555787308.db2.gz OTKXCALUHMPIGM-HXUWFJFHSA-N -1 0 425.481 4.100 50 0 IIAARM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002562545 555787650 /nfs/dbraw/zinc/78/76/50/555787650.db2.gz LORJESUTFPMFAV-DEOSSOPVSA-N -1 0 442.471 4.408 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002773573 555816794 /nfs/dbraw/zinc/81/67/94/555816794.db2.gz VNSHAEAQBWQFGC-UHFFFAOYSA-N -1 0 444.516 4.048 50 0 IIAARM COc1cccc2c1CC[C@]2(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000521396603 556020811 /nfs/dbraw/zinc/02/08/11/556020811.db2.gz POZTZANBPAJSAC-AREMUKBSSA-N -1 0 429.472 4.460 50 0 IIAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)n1 ZINC000002778684 556141075 /nfs/dbraw/zinc/14/10/75/556141075.db2.gz HKWISYHBZYZGHI-GFCCVEGCSA-N -1 0 447.992 4.171 50 0 IIAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000009095022 556246496 /nfs/dbraw/zinc/24/64/96/556246496.db2.gz DEVBDLCDJXUJMW-UHFFFAOYSA-N -1 0 429.226 4.245 50 0 IIAARM COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3CC(=O)[O-])c3ccccc3n2C)c1 ZINC000009667375 556304945 /nfs/dbraw/zinc/30/49/45/556304945.db2.gz KPQVKHQZDJBPJR-RUZDIDTESA-N -1 0 426.472 4.484 50 0 IIAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1I ZINC000010060540 556324687 /nfs/dbraw/zinc/32/46/87/556324687.db2.gz NUOAFPSGMZAVHR-UHFFFAOYSA-N -1 0 446.038 4.004 50 0 IIAARM C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000013949447 556344128 /nfs/dbraw/zinc/34/41/28/556344128.db2.gz CARMEOHGLANNCH-BETUJISGSA-N -1 0 449.019 4.154 50 0 IIAARM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)n2ncnc2n1 ZINC000032784305 556349672 /nfs/dbraw/zinc/34/96/72/556349672.db2.gz MCJXBKDJCJSTFL-UHFFFAOYSA-N -1 0 449.323 4.284 50 0 IIAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000011851878 556367588 /nfs/dbraw/zinc/36/75/88/556367588.db2.gz IJQGZVMFJKFEAY-UHFFFAOYSA-N -1 0 438.505 4.123 50 0 IIAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(-c3cc(Cl)ccc3Cl)o1)C2=O ZINC000014129331 556374539 /nfs/dbraw/zinc/37/45/39/556374539.db2.gz JLBSVVUPRPPQSU-UHFFFAOYSA-N -1 0 436.295 4.399 50 0 IIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012812401 556412268 /nfs/dbraw/zinc/41/22/68/556412268.db2.gz SCCCVXNSYQWRRS-OKZBNKHCSA-N -1 0 430.570 4.250 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(=O)c3sccc3[n-]1)CC2 ZINC000012983808 556425992 /nfs/dbraw/zinc/42/59/92/556425992.db2.gz AJEVZIQFJXBNGC-FQEVSTJZSA-N -1 0 439.562 4.211 50 0 IIAARM O=C([O-])CC1(CC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000029006748 556465277 /nfs/dbraw/zinc/46/52/77/556465277.db2.gz XBZMUNAEFZQWRP-UHFFFAOYSA-N -1 0 448.516 4.380 50 0 IIAARM COc1ccc(-c2nnc(SCc3nc(=O)c4sccc4[n-]3)n2CC(C)C)cc1 ZINC000013127654 556476394 /nfs/dbraw/zinc/47/63/94/556476394.db2.gz WHFHLCAQEVYSJC-UHFFFAOYSA-N -1 0 427.555 4.200 50 0 IIAARM CCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000015022523 556488158 /nfs/dbraw/zinc/48/81/58/556488158.db2.gz LWVYEWWEIPRHFH-ZRBLBEILSA-N -1 0 432.476 4.286 50 0 IIAARM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000013265206 556501139 /nfs/dbraw/zinc/50/11/39/556501139.db2.gz VMSSWRADAXGSSE-FQEVSTJZSA-N -1 0 447.553 4.246 50 0 IIAARM COc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000013533027 556512739 /nfs/dbraw/zinc/51/27/39/556512739.db2.gz KMWSFRDRGKCNLL-FQEVSTJZSA-N -1 0 437.883 4.439 50 0 IIAARM Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)[O-])CO[C@@H](C(C)C)C4)c1 ZINC000013535527 556513354 /nfs/dbraw/zinc/51/33/54/556513354.db2.gz WMIHWRUQFIYWRE-OAHLLOKOSA-N -1 0 430.551 4.030 50 0 IIAARM CCc1c([O-])nc(SCC(=O)Nc2cccc3ccccc32)n(-c2ccccc2)c1=O ZINC000001230411 556574716 /nfs/dbraw/zinc/57/47/16/556574716.db2.gz VZBSMUSZEJEKKI-UHFFFAOYSA-N -1 0 431.517 4.385 50 0 IIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000072311699 556588252 /nfs/dbraw/zinc/58/82/52/556588252.db2.gz GJNCQYGYMJYCAB-XKQJLSEDSA-N -1 0 425.476 4.029 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000016383545 556604044 /nfs/dbraw/zinc/60/40/44/556604044.db2.gz BSHKKKCEUWJOON-CVEARBPZSA-N -1 0 428.282 4.286 50 0 IIAARM CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OCC)cc3)n[nH]2)cc1 ZINC000032984969 556604343 /nfs/dbraw/zinc/60/43/43/556604343.db2.gz ANOYSUSFBFQCDE-UHFFFAOYSA-N -1 0 442.541 4.204 50 0 IIAARM CN(C(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)[O-] ZINC000038529113 556613471 /nfs/dbraw/zinc/61/34/71/556613471.db2.gz YAHFXKKTXOVPLR-INIZCTEOSA-N -1 0 428.913 4.057 50 0 IIAARM COc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000033678319 556620964 /nfs/dbraw/zinc/62/09/64/556620964.db2.gz SQHZMTCWGXGRSC-SFHVURJKSA-N -1 0 441.871 4.422 50 0 IIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000033007129 556655742 /nfs/dbraw/zinc/65/57/42/556655742.db2.gz BHXQZITWVTYKKT-UHFFFAOYSA-N -1 0 441.347 4.184 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NCc2ccccc2)C1 ZINC000017096055 556659753 /nfs/dbraw/zinc/65/97/53/556659753.db2.gz MAMMNSNZBRSHOJ-OAHLLOKOSA-N -1 0 428.554 4.386 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(OC)c(O)c2)CC(=O)N3)cc1 ZINC000061719210 556726114 /nfs/dbraw/zinc/72/61/14/556726114.db2.gz NQZFKNFQARCGLV-CQSZACIVSA-N -1 0 425.462 4.310 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc(OC)c1O ZINC000061719830 556726623 /nfs/dbraw/zinc/72/66/23/556726623.db2.gz IQHDQKILZFXXLO-ZDUSSCGKSA-N -1 0 443.452 4.449 50 0 IIAARM O=S(=O)([N-]c1ccn(Cc2cccc3cccnc32)n1)c1cccc(OC(F)(F)F)c1 ZINC000058297599 556778405 /nfs/dbraw/zinc/77/84/05/556778405.db2.gz VYZMVIRNKPAIKA-UHFFFAOYSA-N -1 0 448.426 4.179 50 0 IIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)cc1 ZINC000097940815 556811241 /nfs/dbraw/zinc/81/12/41/556811241.db2.gz IWFLQAJYGXPHPW-UHFFFAOYSA-N -1 0 442.541 4.220 50 0 IIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000019641709 556837771 /nfs/dbraw/zinc/83/77/71/556837771.db2.gz NKEOQCWUXVQESO-NRERDWFFSA-N -1 0 444.597 4.329 50 0 IIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078626 556853755 /nfs/dbraw/zinc/85/37/55/556853755.db2.gz MEQRYAZLDOADTK-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM Cc1nc(-c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3Br)c2)no1 ZINC000033077014 556854386 /nfs/dbraw/zinc/85/43/86/556854386.db2.gz WHGNMTQYWKSMNU-UHFFFAOYSA-N -1 0 428.695 4.262 50 0 IIAARM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000033170537 556885853 /nfs/dbraw/zinc/88/58/53/556885853.db2.gz ZOVZFRMWBBXUFJ-UHFFFAOYSA-N -1 0 446.460 4.023 50 0 IIAARM O=C(NCCc1c[nH]c2ccccc12)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000097138039 556991624 /nfs/dbraw/zinc/99/16/24/556991624.db2.gz TZHOHNAHPUALJS-UHFFFAOYSA-N -1 0 443.528 4.271 50 0 IIAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000017206799 557038521 /nfs/dbraw/zinc/03/85/21/557038521.db2.gz NMDWQZFWVJDABV-UHFFFAOYSA-N -1 0 434.521 4.360 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2OC)cc1 ZINC000017198343 557040113 /nfs/dbraw/zinc/04/01/13/557040113.db2.gz NZCNXBSFGWWIAA-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)s1 ZINC000033306491 557085348 /nfs/dbraw/zinc/08/53/48/557085348.db2.gz FXOMMWCYWLNWLA-PKNBQFBNSA-N -1 0 447.538 4.373 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1 ZINC000033307980 557087106 /nfs/dbraw/zinc/08/71/06/557087106.db2.gz DDTYXYMPVNUFQQ-UHFFFAOYSA-N -1 0 449.536 4.146 50 0 IIAARM O=C(Cc1csc([N-]c2ncccn2)n1)NCc1ccc(OCc2ccccc2)cc1 ZINC000049029420 557089021 /nfs/dbraw/zinc/08/90/21/557089021.db2.gz VQDBPUGVCWFOBS-UHFFFAOYSA-N -1 0 431.521 4.115 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc2Cl)cc1 ZINC000017585839 557099082 /nfs/dbraw/zinc/09/90/82/557099082.db2.gz MALLCKABJORRSQ-UHFFFAOYSA-N -1 0 431.901 4.187 50 0 IIAARM Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nnc2-c2cccnc2)cc1 ZINC000072191543 557099858 /nfs/dbraw/zinc/09/98/58/557099858.db2.gz XLBHGBJARFARGC-UHFFFAOYSA-N -1 0 445.504 4.067 50 0 IIAARM CCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c([O-])c2cc(Br)ccc21 ZINC000100837384 557191018 /nfs/dbraw/zinc/19/10/18/557191018.db2.gz DZTHQODJDCCWTI-UHFFFAOYSA-N -1 0 444.310 4.352 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000100846738 557191749 /nfs/dbraw/zinc/19/17/49/557191749.db2.gz LKNRWHSLEAQZLQ-NRFANRHFSA-N -1 0 429.505 4.135 50 0 IIAARM COc1ccc(OC)c(C2c3c(oc4ccc(C)cc4c3=O)C([O-])=C2c2nncs2)c1 ZINC000011614296 557210671 /nfs/dbraw/zinc/21/06/71/557210671.db2.gz HXVRPCULRVNSNC-IEBWSBKVSA-N -1 0 434.473 4.082 50 0 IIAARM CCn1c(=O)c(C(=O)Nc2nc3ccc(Br)cc3s2)c([O-])c2ccccc21 ZINC000100483603 557262036 /nfs/dbraw/zinc/26/20/36/557262036.db2.gz QGAWRFIAWGFZDB-UHFFFAOYSA-N -1 0 444.310 4.352 50 0 IIAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000101663834 557293482 /nfs/dbraw/zinc/29/34/82/557293482.db2.gz NLUPUBCBSWURFU-UXHICEINSA-N -1 0 449.898 4.414 50 0 IIAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722770 557294762 /nfs/dbraw/zinc/29/47/62/557294762.db2.gz PJXTZSFZTWYMEV-UHFFFAOYSA-N -1 0 435.867 4.065 50 0 IIAARM CCn1c(=O)c(-c2nc(-c3ccccc3Br)no2)c([O-])c2ccc(F)cc21 ZINC000101724732 557295151 /nfs/dbraw/zinc/29/51/51/557295151.db2.gz YQWIUKGUNFHFFX-UHFFFAOYSA-N -1 0 430.233 4.346 50 0 IIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1Br ZINC000084475290 557303957 /nfs/dbraw/zinc/30/39/57/557303957.db2.gz YKGJXPILSQMFCY-UHFFFAOYSA-N -1 0 438.271 4.263 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000102820946 557393779 /nfs/dbraw/zinc/39/37/79/557393779.db2.gz VGCMMLPTEOTLBC-QGZVFWFLSA-N -1 0 429.263 4.426 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2[C@H](c2ccc(F)cc2F)C1 ZINC000102901454 557411624 /nfs/dbraw/zinc/41/16/24/557411624.db2.gz GEYIGAJCLNHGPM-KRWDZBQOSA-N -1 0 430.798 4.050 50 0 IIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(NCc1ccccn1)(C(F)(F)F)C(F)(F)F ZINC000104277277 557453805 /nfs/dbraw/zinc/45/38/05/557453805.db2.gz RLGCHTIHQZKGTR-UHFFFAOYSA-N -1 0 430.352 4.391 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000100700519 557454921 /nfs/dbraw/zinc/45/49/21/557454921.db2.gz FTKDWKUWSFBEAD-OALUTQOASA-N -1 0 435.871 4.105 50 0 IIAARM NC(=O)c1c(SCC(=O)c2ccc(-c3ccccc3)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000044920443 557540872 /nfs/dbraw/zinc/54/08/72/557540872.db2.gz DQQSCPIOZMIUQQ-UHFFFAOYSA-N -1 0 436.514 4.036 50 0 IIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)Cc4cccs4)c(C(=O)[O-])c3)CC2)c1 ZINC000045967750 557557156 /nfs/dbraw/zinc/55/71/56/557557156.db2.gz AOKISPWRDBPJSV-UHFFFAOYSA-N -1 0 435.549 4.263 50 0 IIAARM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2S(=O)(=O)C(C)C)c(Cl)cc1F ZINC000225398486 557718570 /nfs/dbraw/zinc/71/85/70/557718570.db2.gz CDBVKPRMICUOBO-UHFFFAOYSA-N -1 0 440.345 4.424 50 0 IIAARM O=S(=O)([N-]c1nnc(Nc2ccccc2)o1)c1ccc(Br)cc1Cl ZINC000225695391 557765269 /nfs/dbraw/zinc/76/52/69/557765269.db2.gz SJPZAXPAUCXFIW-UHFFFAOYSA-N -1 0 429.683 4.030 50 0 IIAARM CN(C)c1cccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000225849372 557785070 /nfs/dbraw/zinc/78/50/70/557785070.db2.gz DBQLYQBOEYGVQJ-LJQANCHMSA-N -1 0 444.329 4.058 50 0 IIAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002104929 562925840 /nfs/dbraw/zinc/92/58/40/562925840.db2.gz AXGHOKLNUCUTJN-IBGZPJMESA-N -1 0 427.497 4.321 50 0 biogenic IIAARM CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccsc3c(=O)n2CCC(=O)[O-])cc1 ZINC000002932567 562930690 /nfs/dbraw/zinc/93/06/90/562930690.db2.gz YJFHSOURBMBUJP-INIZCTEOSA-N -1 0 445.566 4.005 50 0 IIAARM CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccsc3c(=O)n2CCC(=O)[O-])cc1 ZINC000002932566 562930723 /nfs/dbraw/zinc/93/07/23/562930723.db2.gz YJFHSOURBMBUJP-MRXNPFEDSA-N -1 0 445.566 4.005 50 0 IIAARM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000003328290 562934315 /nfs/dbraw/zinc/93/43/15/562934315.db2.gz CHIPNWIJCYYORD-UHFFFAOYSA-N -1 0 436.411 4.166 50 0 IIAARM CCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000008607241 562957284 /nfs/dbraw/zinc/95/72/84/562957284.db2.gz BBMKIVDQNCXQQV-IBGZPJMESA-N -1 0 449.536 4.324 50 0 IIAARM COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000008671893 562960998 /nfs/dbraw/zinc/96/09/98/562960998.db2.gz HHHXHHVGVHIZFI-HSZRJFAPSA-N -1 0 441.443 4.239 50 0 IIAARM C[C@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000008788771 562964167 /nfs/dbraw/zinc/96/41/67/562964167.db2.gz ITGDFJSZWWNVPR-MUYFXNHWSA-N -1 0 449.503 4.235 50 0 biogenic IIAARM CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012660686 562982849 /nfs/dbraw/zinc/98/28/49/562982849.db2.gz NIJDYRWVCFKWIL-GGLNZVNKSA-N -1 0 445.556 4.297 50 0 IIAARM CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000012541685 568743865 /nfs/dbraw/zinc/74/38/65/568743865.db2.gz SWZOSWZTRCFVGB-UHFFFAOYSA-N -1 0 440.477 4.009 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1cc(F)ccc1F)CC2 ZINC000015781878 568826205 /nfs/dbraw/zinc/82/62/05/568826205.db2.gz VGJVIAWLGLIFPT-SFHVURJKSA-N -1 0 434.439 4.368 50 0 IIAARM CCOC(=O)c1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])cc1 ZINC000001508453 568835604 /nfs/dbraw/zinc/83/56/04/568835604.db2.gz GEDCRFYVPMGHKK-MXXWWZHRSA-N -1 0 441.483 4.410 50 0 IIAARM C[C@H](CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)[O-] ZINC000237413755 568844992 /nfs/dbraw/zinc/84/49/92/568844992.db2.gz LCRXLONULWHBFE-LJQANCHMSA-N -1 0 440.503 4.297 50 0 IIAARM CC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)nc1C ZINC000006146748 568846289 /nfs/dbraw/zinc/84/62/89/568846289.db2.gz RTLFZMQIALPEQZ-UHFFFAOYSA-N -1 0 429.523 4.016 50 0 IIAARM CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000012952191 568872252 /nfs/dbraw/zinc/87/22/52/568872252.db2.gz UZVXDIQGDZJTMB-UHFFFAOYSA-N -1 0 447.738 4.260 50 0 IIAARM Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2cc(C(=O)[O-])ccc21 ZINC000227175569 568885688 /nfs/dbraw/zinc/88/56/88/568885688.db2.gz RRBVUHXIOGVLOB-QVKFZJNVSA-N -1 0 449.532 4.492 50 0 IIAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2ON1c1ccccc1 ZINC000245311676 568914483 /nfs/dbraw/zinc/91/44/83/568914483.db2.gz PYZFNPKDFMBVOX-NJYVYQBISA-N -1 0 448.862 4.089 50 0 IIAARM C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000253527854 568920248 /nfs/dbraw/zinc/92/02/48/568920248.db2.gz KLRNMIUKAXHHFS-BTRABBCESA-N -1 0 432.557 4.192 50 0 IIAARM CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)SC1=Nc1cccc(Cl)c1 ZINC000006544513 568931142 /nfs/dbraw/zinc/93/11/42/568931142.db2.gz NHICBZIRJCVPGF-INIZCTEOSA-N -1 0 431.901 4.018 50 0 IIAARM C[C@@H]1CN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)C[C@H](C)O1 ZINC000016689795 568938305 /nfs/dbraw/zinc/93/83/05/568938305.db2.gz KXNMHBIKBMTJCN-IIYDPXPESA-N -1 0 428.489 4.094 50 0 IIAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2Cl)C1 ZINC000064820258 568967050 /nfs/dbraw/zinc/96/70/50/568967050.db2.gz NXNINPDTMUWSGM-HNNXBMFYSA-N -1 0 430.888 4.070 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)c1C ZINC000064820324 568967058 /nfs/dbraw/zinc/96/70/58/568967058.db2.gz NZVFARQMNFMIKL-UHFFFAOYSA-N -1 0 434.540 4.458 50 0 IIAARM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)Nc4ccc(C(=O)[O-])cc4)c3)o2)cc1 ZINC000064987979 569082799 /nfs/dbraw/zinc/08/27/99/569082799.db2.gz PSORISABTRREJB-UHFFFAOYSA-N -1 0 435.461 4.211 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)no1 ZINC000065010690 569088303 /nfs/dbraw/zinc/08/83/03/569088303.db2.gz NKEYKJRCPLXEMK-UHFFFAOYSA-N -1 0 431.514 4.081 50 0 IIAARM O=C(NC1CC1)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000065063478 569097676 /nfs/dbraw/zinc/09/76/76/569097676.db2.gz QHHBDNAKCAYWEF-UHFFFAOYSA-N -1 0 449.941 4.282 50 0 IIAARM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000065115985 569107006 /nfs/dbraw/zinc/10/70/06/569107006.db2.gz SPSMZLFYTNHUMT-UHFFFAOYSA-N -1 0 429.498 4.035 50 0 IIAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccccc4Br)c([O-])c23)C1 ZINC000065150496 569111083 /nfs/dbraw/zinc/11/10/83/569111083.db2.gz CUSYDOACOWTKJJ-SECBINFHSA-N -1 0 433.327 4.435 50 0 IIAARM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3cc(C)ccc3Br)sc2c1 ZINC000170609202 569144559 /nfs/dbraw/zinc/14/45/59/569144559.db2.gz MZBCHIFEBXLCNN-UHFFFAOYSA-N -1 0 425.329 4.371 50 0 IIAARM Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1C ZINC000170620834 569147871 /nfs/dbraw/zinc/14/78/71/569147871.db2.gz WZAHDDVPBQHRDA-UHFFFAOYSA-N -1 0 443.912 4.440 50 0 IIAARM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626253 569148596 /nfs/dbraw/zinc/14/85/96/569148596.db2.gz AFUJLZLMDFSVCU-UHFFFAOYSA-N -1 0 437.253 4.125 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NCc3ccc(Cl)cc3)cs2)cc1 ZINC000016848661 569164454 /nfs/dbraw/zinc/16/44/54/569164454.db2.gz PDMSKZVZKDXEEW-UHFFFAOYSA-N -1 0 449.985 4.155 50 0 IIAARM O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000089883961 569166576 /nfs/dbraw/zinc/16/65/76/569166576.db2.gz ZFNJYLXDPNNWGF-UHFFFAOYSA-N -1 0 447.236 4.054 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccco1 ZINC000017010239 569170145 /nfs/dbraw/zinc/17/01/45/569170145.db2.gz NRMBLNSUKKPNMI-UHFFFAOYSA-N -1 0 440.521 4.299 50 0 IIAARM Cc1oc2c(cc3c(C)c(CC(=O)NCC4CCC(C(=O)[O-])CC4)c(=O)oc3c2C)c1C ZINC000002107387 569181353 /nfs/dbraw/zinc/18/13/53/569181353.db2.gz RQSWZPXPZCFMFX-UHFFFAOYSA-N -1 0 439.508 4.323 50 0 biogenic IIAARM CCOC(=O)[C@@]([N-]c1ccccc1Cl)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000002275425 569217860 /nfs/dbraw/zinc/21/78/60/569217860.db2.gz NKIRUZDAVCPLQT-GOSISDBHSA-N -1 0 430.810 4.012 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C(C)=O)cc2)cc1 ZINC000002410515 569300832 /nfs/dbraw/zinc/30/08/32/569300832.db2.gz YCLCYYQCVUQFHA-UHFFFAOYSA-N -1 0 448.504 4.385 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4ccc(F)cc4)c3=O)c2c1 ZINC000020331269 569360980 /nfs/dbraw/zinc/36/09/80/569360980.db2.gz VBZWPMLRQTUJOL-UHFFFAOYSA-N -1 0 440.500 4.497 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4C[C@H](C)C[C@@H](C)C4)c3=O)c2c1 ZINC000020331613 569360994 /nfs/dbraw/zinc/36/09/94/569360994.db2.gz STWUSXGWZZIMSJ-HUUCEWRRSA-N -1 0 442.585 4.224 50 0 IIAARM COC(=O)C[C@H](c1cccc(O)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116084 569383606 /nfs/dbraw/zinc/38/36/06/569383606.db2.gz NLNKKZJCBHXKDH-QGZVFWFLSA-N -1 0 432.428 4.272 50 0 biogenic IIAARM Cn1c2cc([N-]S(=O)(=O)c3ccccc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049232 569406681 /nfs/dbraw/zinc/40/66/81/569406681.db2.gz ALIMVINVULNACS-UHFFFAOYSA-N -1 0 431.583 4.103 50 0 IIAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(Br)s1 ZINC000002777933 569420970 /nfs/dbraw/zinc/42/09/70/569420970.db2.gz QTCGHVDLVMPTIR-UHFFFAOYSA-N -1 0 432.752 4.210 50 0 IIAARM COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4sccc4[n-]c3=S)cc2)cc1 ZINC000002932472 569426121 /nfs/dbraw/zinc/42/61/21/569426121.db2.gz ONTZZQQTSJTRPJ-UHFFFAOYSA-N -1 0 437.546 4.107 50 0 IIAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[n-]c1=S ZINC000003051808 569439280 /nfs/dbraw/zinc/43/92/80/569439280.db2.gz XFUUWRHLRWYQGG-UHFFFAOYSA-N -1 0 449.576 4.362 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000003215542 569441826 /nfs/dbraw/zinc/44/18/26/569441826.db2.gz WWJAPMFIFDBYIL-UHFFFAOYSA-N -1 0 444.940 4.388 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)C(C)(C)C)nc2c1 ZINC000003228621 569442269 /nfs/dbraw/zinc/44/22/69/569442269.db2.gz MRGFIKUUWMVJLM-UHFFFAOYSA-N -1 0 434.539 4.345 50 0 IIAARM Cc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000003283392 569443955 /nfs/dbraw/zinc/44/39/55/569443955.db2.gz IJMZIMXYHCAUCJ-UHFFFAOYSA-N -1 0 448.504 4.254 50 0 IIAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003283473 569444024 /nfs/dbraw/zinc/44/40/24/569444024.db2.gz MVRYFSFJPMQWSQ-UHFFFAOYSA-N -1 0 448.504 4.254 50 0 IIAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000003324765 569446134 /nfs/dbraw/zinc/44/61/34/569446134.db2.gz JCEVNPWHJSBPSS-UHFFFAOYSA-N -1 0 445.338 4.180 50 0 IIAARM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccc(OC)cc42)CC3)cc1 ZINC000031813527 569457905 /nfs/dbraw/zinc/45/79/05/569457905.db2.gz HHMTZBBVSIZKDM-QFIPXVFZSA-N -1 0 449.532 4.493 50 0 IIAARM Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)coc2c1 ZINC000008845854 569478946 /nfs/dbraw/zinc/47/89/46/569478946.db2.gz STZDSKRYFZXAHI-UHFFFAOYSA-N -1 0 427.507 4.180 50 0 IIAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-] ZINC000009047196 569498502 /nfs/dbraw/zinc/49/85/02/569498502.db2.gz BLNOYGUNMPARRZ-IBGZPJMESA-N -1 0 441.524 4.041 50 0 IIAARM C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@@H]1C ZINC000009367469 569526425 /nfs/dbraw/zinc/52/64/25/569526425.db2.gz QFGQPFHUMGLFFZ-OLZOCXBDSA-N -1 0 429.523 4.081 50 0 IIAARM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000009707414 569561509 /nfs/dbraw/zinc/56/15/09/569561509.db2.gz XOWVQACFRFZHLB-UHFFFAOYSA-N -1 0 425.897 4.148 50 0 IIAARM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009984027 569576632 /nfs/dbraw/zinc/57/66/32/569576632.db2.gz ZKKLBAVTHKLYAG-UHFFFAOYSA-N -1 0 448.504 4.109 50 0 IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc2[nH]ccc2c1 ZINC000013720767 569583509 /nfs/dbraw/zinc/58/35/09/569583509.db2.gz MTKZFEFBHLWOPM-UHFFFAOYSA-N -1 0 446.941 4.260 50 0 IIAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000022626882 122356773 /nfs/dbraw/zinc/35/67/73/122356773.db2.gz AERJMQZLTZANDA-OAQYLSRUSA-N -1 0 449.580 4.115 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438867 132281941 /nfs/dbraw/zinc/28/19/41/132281941.db2.gz ZVKMUHWMDRJOIX-FCHUYYIVSA-N -1 0 439.943 4.272 50 0 IIAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c1 ZINC000008602106 132286593 /nfs/dbraw/zinc/28/65/93/132286593.db2.gz UXKBUPAOEMTRJU-UHFFFAOYSA-N -1 0 433.483 4.411 50 0 IIAARM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)nc(C)n1 ZINC000012226430 520314376 /nfs/dbraw/zinc/31/43/76/520314376.db2.gz OKYOGVVMASLOAS-UHFFFAOYSA-N -1 0 434.468 4.396 50 0 IIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012605798 520339816 /nfs/dbraw/zinc/33/98/16/520339816.db2.gz VEKUUDCNYUEFGT-UHFFFAOYSA-N -1 0 428.432 4.180 50 0 IIAARM CCCCNC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000012252461 520625965 /nfs/dbraw/zinc/62/59/65/520625965.db2.gz TZGHRKKZNWEQCT-UHFFFAOYSA-N -1 0 443.594 4.226 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(OC)cc1)CC2 ZINC000020515433 520799988 /nfs/dbraw/zinc/79/99/88/520799988.db2.gz FHPUWVIIXIHBQV-IBGZPJMESA-N -1 0 428.485 4.099 50 0 IIAARM CCOc1ccc(NC(=O)[C@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)[O-])cc1 ZINC000012411875 521112395 /nfs/dbraw/zinc/11/23/95/521112395.db2.gz LWVYEWWEIPRHFH-VABKMULXSA-N -1 0 432.476 4.286 50 0 IIAARM CCCc1cc(=O)oc2c(C)c([O-])c(-c3ccc4c(=O)n(-c5ccccc5)nc-4[nH]3)cc12 ZINC000011866516 521349161 /nfs/dbraw/zinc/34/91/61/521349161.db2.gz DXMGMCSXSFYWJQ-UHFFFAOYSA-N -1 0 427.460 4.454 50 0 IIAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000035397396 521650626 /nfs/dbraw/zinc/65/06/26/521650626.db2.gz FXNWXADUMYSSPS-UHFFFAOYSA-N -1 0 425.938 4.169 50 0 IIAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854530 522537088 /nfs/dbraw/zinc/53/70/88/522537088.db2.gz BXKDURXRTYVMMQ-FQEVSTJZSA-N -1 0 437.544 4.110 50 0 IIAARM CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854808 522537581 /nfs/dbraw/zinc/53/75/81/522537581.db2.gz SGOUNLAGJIBHBQ-GOSISDBHSA-N -1 0 443.960 4.217 50 0 IIAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2OC)cc1 ZINC000012521033 523996420 /nfs/dbraw/zinc/99/64/20/523996420.db2.gz XEGOGVNEHSOMCJ-UHFFFAOYSA-N -1 0 425.510 4.014 50 0 IIAARM CCc1ccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397521 524018429 /nfs/dbraw/zinc/01/84/29/524018429.db2.gz AMRYCAPEWLOVGE-UHFFFAOYSA-N -1 0 433.574 4.261 50 0 IIAARM Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccccc2I)C(=O)[O-])c1 ZINC000035142296 524397464 /nfs/dbraw/zinc/39/74/64/524397464.db2.gz VOUBMZDBOLZHPH-HNNXBMFYSA-N -1 0 437.277 4.180 50 0 IIAARM COc1ccccc1CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000012749236 524435969 /nfs/dbraw/zinc/43/59/69/524435969.db2.gz IOFVLOSXQZLPDP-UHFFFAOYSA-N -1 0 442.512 4.216 50 0 IIAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000012816185 524662563 /nfs/dbraw/zinc/66/25/63/524662563.db2.gz ZJTGJRKAHWYGHB-UHFFFAOYSA-N -1 0 434.473 4.155 50 0 IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)n1C ZINC000021155863 525569074 /nfs/dbraw/zinc/56/90/74/525569074.db2.gz PPOZPDCGFRCNKK-UHFFFAOYSA-N -1 0 441.956 4.107 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000015733670 526730282 /nfs/dbraw/zinc/73/02/82/526730282.db2.gz JGMACGANYJAZRU-MOPGFXCFSA-N -1 0 435.871 4.105 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000017247083 527258347 /nfs/dbraw/zinc/25/83/47/527258347.db2.gz YSVYZZMJUNAQAV-UHFFFAOYSA-N -1 0 438.440 4.042 50 0 aggregator IIAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC1CCCCC1 ZINC000021297754 527633370 /nfs/dbraw/zinc/63/33/70/527633370.db2.gz MRFLBISPKPBCRU-QFIPXVFZSA-N -1 0 437.492 4.244 50 0 IIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020718680 527657077 /nfs/dbraw/zinc/65/70/77/527657077.db2.gz ZIIVVDVYZLZXOF-GOSISDBHSA-N -1 0 438.837 4.183 50 0 IIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCc3ccccc32)cc1 ZINC000006267834 535401141 /nfs/dbraw/zinc/40/11/41/535401141.db2.gz CHPYMJFPFWYESF-UHFFFAOYSA-N -1 0 436.533 4.479 50 0 IIAARM O=C(COc1ccc(I)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000001064980 555617895 /nfs/dbraw/zinc/61/78/95/555617895.db2.gz ZJNGFJZGVNQRMF-UHFFFAOYSA-N -1 0 438.048 4.321 50 0 IIAARM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001151889 555656705 /nfs/dbraw/zinc/65/67/05/555656705.db2.gz SPRHCDNGMYPFKD-VGOFMYFVSA-N -1 0 436.537 4.227 50 0 IIAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001159934 555661219 /nfs/dbraw/zinc/66/12/19/555661219.db2.gz UHEGZSZRLPTCPP-UHFFFAOYSA-N -1 0 430.869 4.434 50 0 IIAARM O=C([O-])c1ccc(NC(=O)CCCN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000001185554 555673914 /nfs/dbraw/zinc/67/39/14/555673914.db2.gz NMHDSRSSYCCXAU-YFEFNIQKSA-N -1 0 436.489 4.396 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccc(N)cc4)cc3s2)cc1 ZINC000003100201 555886642 /nfs/dbraw/zinc/88/66/42/555886642.db2.gz AXSZUBPJJGINCJ-UHFFFAOYSA-N -1 0 438.534 4.240 50 0 IIAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004417366 555993923 /nfs/dbraw/zinc/99/39/23/555993923.db2.gz USEOXMRMPRBGDU-GXTWGEPZSA-N -1 0 446.381 4.474 50 0 IIAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)sc2c1CCCC2 ZINC000006480559 556090741 /nfs/dbraw/zinc/09/07/41/556090741.db2.gz RRUTVPBCJQKLRP-UHFFFAOYSA-N -1 0 429.947 4.266 50 0 IIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc4ccccc43)c2C)cc1 ZINC000002761405 556135437 /nfs/dbraw/zinc/13/54/37/556135437.db2.gz CAJZDGRVBROTJN-UHFFFAOYSA-N -1 0 448.548 4.461 50 0 IIAARM CCCc1cc(=O)[n-]c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000008867425 556228416 /nfs/dbraw/zinc/22/84/16/556228416.db2.gz KVAAUHLKGZXVCM-UHFFFAOYSA-N -1 0 439.381 4.491 50 0 IIAARM COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1OCC(=O)[O-] ZINC000009804773 556308951 /nfs/dbraw/zinc/30/89/51/556308951.db2.gz RHLOLFNATCNKJE-GAJHUEQPSA-N -1 0 436.489 4.462 50 0 IIAARM CC(C)[C@@H]1Cc2c(sc3nc(S[C@H](C)C(=O)[O-])n(-c4ccccc4)c(=O)c32)CO1 ZINC000013802007 556310910 /nfs/dbraw/zinc/31/09/10/556310910.db2.gz QVMWHSJKNAZRJD-DOMZBBRYSA-N -1 0 430.551 4.110 50 0 IIAARM CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2CC ZINC000011691609 556346977 /nfs/dbraw/zinc/34/69/77/556346977.db2.gz KUBACXWDQKTFPL-UHFFFAOYSA-N -1 0 438.505 4.123 50 0 IIAARM O=C(c1cnc2nc(SCc3ccccc3)nn2c1)c1cc(Br)ccc1[O-] ZINC000014017511 556356033 /nfs/dbraw/zinc/35/60/33/556356033.db2.gz ATBGZQLERCWPEU-UHFFFAOYSA-N -1 0 441.310 4.116 50 0 IIAARM Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000032610209 556408614 /nfs/dbraw/zinc/40/86/14/556408614.db2.gz VWYONOWXBUJIFV-UHFFFAOYSA-N -1 0 431.461 4.418 50 0 IIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012812391 556412297 /nfs/dbraw/zinc/41/22/97/556412297.db2.gz SCCCVXNSYQWRRS-KURKYZTESA-N -1 0 430.570 4.250 50 0 IIAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(F)cc2C)c1-c1ccc(Br)cc1 ZINC000072273400 556451793 /nfs/dbraw/zinc/45/17/93/556451793.db2.gz HZXLREMKBQSBKP-UHFFFAOYSA-N -1 0 438.322 4.406 50 0 IIAARM O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000013119157 556471460 /nfs/dbraw/zinc/47/14/60/556471460.db2.gz DUOBQICUYBZEOD-BKUYFWCQSA-N -1 0 446.434 4.196 50 0 IIAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sc(-c3ccccc3)nc2C)cc1OC ZINC000013257182 556501057 /nfs/dbraw/zinc/50/10/57/556501057.db2.gz IXOPWKCGAGDEKP-MRXNPFEDSA-N -1 0 426.494 4.082 50 0 IIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccc(-c3nn(C)cc3Br)c2)C1 ZINC000013465224 556506847 /nfs/dbraw/zinc/50/68/47/556506847.db2.gz PLPPVWULDLFIDT-CVEARBPZSA-N -1 0 432.318 4.235 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000013465496 556506888 /nfs/dbraw/zinc/50/68/88/556506888.db2.gz UNYDCCDOUKHKBI-UHFFFAOYSA-N -1 0 440.569 4.131 50 0 IIAARM Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)[O-])CO[C@H](C(C)C)C4)c1 ZINC000013535522 556513276 /nfs/dbraw/zinc/51/32/76/556513276.db2.gz WMIHWRUQFIYWRE-HNNXBMFYSA-N -1 0 430.551 4.030 50 0 IIAARM COc1ccc(OC)c(-c2c3c(C)nn(-c4ccccc4)c3[nH]c3nc(=S)[n-]c(=O)c2-3)c1 ZINC000013571045 556522193 /nfs/dbraw/zinc/52/21/93/556522193.db2.gz ARLOTAHKSVQASM-UHFFFAOYSA-N -1 0 445.504 4.312 50 0 IIAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000003103271 556522784 /nfs/dbraw/zinc/52/27/84/556522784.db2.gz YNGBNWOBNZMPGJ-SFHVURJKSA-N -1 0 441.406 4.099 50 0 IIAARM Cc1nc(-c2ccc(Br)cc2)c([N-]S(=O)(=O)c2cccnc2Cl)n1C ZINC000072301833 556525165 /nfs/dbraw/zinc/52/51/65/556525165.db2.gz DYURJCLQQVTIDX-UHFFFAOYSA-N -1 0 441.738 4.007 50 0 IIAARM Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3cccs3)C2)c(=O)o1 ZINC000013592930 556531015 /nfs/dbraw/zinc/53/10/15/556531015.db2.gz YEKIUSAAJMJEMC-KRWDZBQOSA-N -1 0 446.488 4.278 50 0 IIAARM CCn1nc(C)c(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C5CC5)c4c3n2)c1C ZINC000013645566 556543689 /nfs/dbraw/zinc/54/36/89/556543689.db2.gz PRHUBGYPCDEYSW-UHFFFAOYSA-N -1 0 444.417 4.372 50 0 IIAARM Cc1sc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017094963 556658359 /nfs/dbraw/zinc/65/83/59/556658359.db2.gz PIYRNWOWYSNVGD-RLNQZENFSA-N -1 0 426.538 4.206 50 0 IIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000017097513 556661669 /nfs/dbraw/zinc/66/16/69/556661669.db2.gz ZXECJYSADASNSH-JKSUJKDBSA-N -1 0 431.510 4.348 50 0 IIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C)C(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000011865592 556665176 /nfs/dbraw/zinc/66/51/76/556665176.db2.gz VNCIOSPUHGSFHI-GFCCVEGCSA-N -1 0 439.851 4.300 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CCC3)cc1 ZINC000017102482 556666726 /nfs/dbraw/zinc/66/67/26/556666726.db2.gz IFHAEFQOWYCNBZ-IAGOWNOFSA-N -1 0 438.549 4.081 50 0 IIAARM COc1ccc(N2C(=O)C(=Cc3cc(C)n(C(C)C)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000000661855 556681947 /nfs/dbraw/zinc/68/19/47/556681947.db2.gz JGHYNBKJFJKOBJ-YVLHZVERSA-N -1 0 427.526 4.375 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2C)n(-c2cccc(Cl)c2)n1 ZINC000058377946 556784013 /nfs/dbraw/zinc/78/40/13/556784013.db2.gz ZIKMVJIZMHFDJX-UHFFFAOYSA-N -1 0 444.944 4.070 50 0 IIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3c(F)cccc3Cl)cc2)n1 ZINC000019645366 556839882 /nfs/dbraw/zinc/83/98/82/556839882.db2.gz HXILRNPMHVNGOS-MDZDMXLPSA-N -1 0 446.891 4.030 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000033078532 556853357 /nfs/dbraw/zinc/85/33/57/556853357.db2.gz LPGRZAKPWVJRKR-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CCC1 ZINC000033128561 556865685 /nfs/dbraw/zinc/86/56/85/556865685.db2.gz PSDSZLKSVLNJLK-UHFFFAOYSA-N -1 0 426.991 4.396 50 0 IIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000033253564 556893945 /nfs/dbraw/zinc/89/39/45/556893945.db2.gz WFDMQAHCNLSEBI-UHFFFAOYSA-N -1 0 440.949 4.474 50 0 IIAARM O=C(c1ccc2cc[nH]c2c1)N1CCc2nc3cc(-c4ccccc4Cl)[n-]n3c(=O)c2C1 ZINC000097151784 556992997 /nfs/dbraw/zinc/99/29/97/556992997.db2.gz UJNUMHZRVHFBTM-UHFFFAOYSA-N -1 0 443.894 4.023 50 0 IIAARM CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000046017632 557020720 /nfs/dbraw/zinc/02/07/20/557020720.db2.gz JMZXEOBUPBYZJY-UHFFFAOYSA-N -1 0 427.345 4.207 50 0 IIAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023157772 557030918 /nfs/dbraw/zinc/03/09/18/557030918.db2.gz AVVBKYBDWKIOKJ-LJQANCHMSA-N -1 0 439.972 4.370 50 0 IIAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000033298087 557074159 /nfs/dbraw/zinc/07/41/59/557074159.db2.gz PVPYACGXURYMJP-UHFFFAOYSA-N -1 0 442.928 4.476 50 0 IIAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)c1OC ZINC000049547310 557112096 /nfs/dbraw/zinc/11/20/96/557112096.db2.gz XZOGMKIDIMWSFS-HNNXBMFYSA-N -1 0 426.856 4.320 50 0 IIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1 ZINC000043804402 557112203 /nfs/dbraw/zinc/11/22/03/557112203.db2.gz DPISPQRQEOWACE-UHFFFAOYSA-N -1 0 436.337 4.106 50 0 IIAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000001176499 557119998 /nfs/dbraw/zinc/11/99/98/557119998.db2.gz RKKQHXCWTHAYMK-UHFFFAOYSA-N -1 0 443.528 4.229 50 0 IIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3sccc3C2)ccc1F ZINC000024759950 557163867 /nfs/dbraw/zinc/16/38/67/557163867.db2.gz JWAYMEXACPGQOB-UHFFFAOYSA-N -1 0 430.526 4.195 50 0 IIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000024840128 557167991 /nfs/dbraw/zinc/16/79/91/557167991.db2.gz BLQNEMKTRMUCET-UHFFFAOYSA-N -1 0 426.925 4.339 50 0 IIAARM Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000009306090 557186413 /nfs/dbraw/zinc/18/64/13/557186413.db2.gz LSPXRXIGSXWFSD-UHFFFAOYSA-N -1 0 442.884 4.311 50 0 IIAARM CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000000790957 557194200 /nfs/dbraw/zinc/19/42/00/557194200.db2.gz CKNHMUUCKMEWHB-UHFFFAOYSA-N -1 0 425.510 4.023 50 0 IIAARM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccccc3)C2=C1[O-] ZINC000100892239 557198565 /nfs/dbraw/zinc/19/85/65/557198565.db2.gz SDQDUDLLPQLWKJ-IRLDBZIGSA-N -1 0 443.890 4.266 50 0 IIAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c([O-])[nH]c1=S ZINC000101494953 557288683 /nfs/dbraw/zinc/28/86/83/557288683.db2.gz HJBFIEIRAGTWHM-QGZVFWFLSA-N -1 0 439.518 4.235 50 0 IIAARM CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101495511 557289001 /nfs/dbraw/zinc/28/90/01/557289001.db2.gz KGBNHWFETNABJX-OAHLLOKOSA-N -1 0 434.949 4.153 50 0 IIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)[nH]c1=O ZINC000101766595 557295891 /nfs/dbraw/zinc/29/58/91/557295891.db2.gz FGADVGNVQHISIW-LJQANCHMSA-N -1 0 437.521 4.106 50 0 IIAARM COc1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)c1 ZINC000101828763 557300407 /nfs/dbraw/zinc/30/04/07/557300407.db2.gz ONOIUGOOHPPNJR-UHFFFAOYSA-N -1 0 428.423 4.219 50 0 IIAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 ZINC000102810953 557393197 /nfs/dbraw/zinc/39/31/97/557393197.db2.gz LDINSEHRYUWZRD-SFHVURJKSA-N -1 0 438.871 4.171 50 0 IIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2cccc(Cl)c2)C1 ZINC000102820847 557393774 /nfs/dbraw/zinc/39/37/74/557393774.db2.gz OXYXKMJJOHQRPG-KRWDZBQOSA-N -1 0 429.263 4.426 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2cccc(Cl)c2)o1)c1nc(C)cs1 ZINC000103034981 557416029 /nfs/dbraw/zinc/41/60/29/557416029.db2.gz JDAIOZDSEHTIDV-AWEZNQCLSA-N -1 0 437.930 4.163 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2cc(C)cc(C)c2)o1)c1nc(C)cs1 ZINC000103034991 557416038 /nfs/dbraw/zinc/41/60/38/557416038.db2.gz HTEHTQQWPKKMEA-INIZCTEOSA-N -1 0 431.539 4.126 50 0 IIAARM COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941959 557551536 /nfs/dbraw/zinc/55/15/36/557551536.db2.gz LMLRUDDZNMKBKW-HSZRJFAPSA-N -1 0 445.471 4.455 50 0 IIAARM CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21 ZINC000003833877 557851877 /nfs/dbraw/zinc/85/18/77/557851877.db2.gz XWLXKKNPFMNSFA-HGQWONQESA-N -1 0 436.589 4.106 50 0 world IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)n1C ZINC000008608162 562957440 /nfs/dbraw/zinc/95/74/40/562957440.db2.gz ULOQTQVRNCIGPR-UHFFFAOYSA-N -1 0 437.993 4.277 50 0 IIAARM O=C([O-])c1ccc(-n2c(/C=C/c3ccc4c(c3)OCCO4)nc3ccccc3c2=O)cc1 ZINC000013087016 562984317 /nfs/dbraw/zinc/98/43/17/562984317.db2.gz PPYCLGKXKHJXMI-WUXMJOGZSA-N -1 0 426.428 4.026 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000015936989 563019139 /nfs/dbraw/zinc/01/91/39/563019139.db2.gz OGMDUKPHWLUUOH-UHFFFAOYSA-N -1 0 428.558 4.024 50 0 IIAARM C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000004026183 568758729 /nfs/dbraw/zinc/75/87/29/568758729.db2.gz KLRNMIUKAXHHFS-ZYDCUSQASA-N -1 0 432.557 4.192 50 0 biogenic IIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000015782013 568826184 /nfs/dbraw/zinc/82/61/84/568826184.db2.gz CMQNVMQAHKPUAC-MRXNPFEDSA-N -1 0 438.402 4.329 50 0 IIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000064557767 568931893 /nfs/dbraw/zinc/93/18/93/568931893.db2.gz WCAKNGYCDJXEOE-IBGZPJMESA-N -1 0 441.892 4.377 50 0 IIAARM CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000064557868 568932001 /nfs/dbraw/zinc/93/20/01/568932001.db2.gz ZYERDSMHMIDWIE-OAQYLSRUSA-N -1 0 435.501 4.417 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)c1ccccc1F ZINC000064589515 568934642 /nfs/dbraw/zinc/93/46/42/568934642.db2.gz ABABJIBTRFPKJB-UHFFFAOYSA-N -1 0 437.446 4.242 50 0 IIAARM Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000064798637 568960521 /nfs/dbraw/zinc/96/05/21/568960521.db2.gz PAMIXZCODAYLAG-INIZCTEOSA-N -1 0 427.503 4.062 50 0 IIAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920358 568985399 /nfs/dbraw/zinc/98/53/99/568985399.db2.gz OQPJRGQRLAIHPN-UHFFFAOYSA-N -1 0 426.317 4.239 50 0 IIAARM CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccccc2OCC(=O)[O-])C1=O ZINC000002155179 569088002 /nfs/dbraw/zinc/08/80/02/569088002.db2.gz LCJSSAROMZUTKQ-LDADJPATSA-N -1 0 439.489 4.002 50 0 IIAARM COc1cc(OC)cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c1 ZINC000065010393 569088170 /nfs/dbraw/zinc/08/81/70/569088170.db2.gz YIDHZTGHHFRSIN-UHFFFAOYSA-N -1 0 443.506 4.283 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000065116101 569107156 /nfs/dbraw/zinc/10/71/56/569107156.db2.gz XJYUQWVACGZWSR-UHFFFAOYSA-N -1 0 449.916 4.325 50 0 IIAARM CC(=O)Nc1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000065215658 569116834 /nfs/dbraw/zinc/11/68/34/569116834.db2.gz JBCVRAHWXYGSGL-UHFFFAOYSA-N -1 0 433.489 4.028 50 0 IIAARM COc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccc(F)cc3)c4=O)c2c1 ZINC000036576194 569118466 /nfs/dbraw/zinc/11/84/66/569118466.db2.gz HKUJOVKYGANZLA-UHFFFAOYSA-N -1 0 432.455 4.025 50 0 IIAARM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(-c4ccc(Cl)cc4)ncn3)cc2F)c1 ZINC000170609111 569144635 /nfs/dbraw/zinc/14/46/35/569144635.db2.gz TXBBMKACBSIXBY-UHFFFAOYSA-N -1 0 443.891 4.231 50 0 IIAARM O=C(c1n[n-]c2ccccc2c1=O)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000170624405 569148028 /nfs/dbraw/zinc/14/80/28/569148028.db2.gz YHPHGRYDDHROCS-UHFFFAOYSA-N -1 0 439.302 4.468 50 0 IIAARM CC(=O)c1cccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000016848676 569164399 /nfs/dbraw/zinc/16/43/99/569164399.db2.gz GICWCQBLUPYTFV-UHFFFAOYSA-N -1 0 443.550 4.026 50 0 IIAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002157663 569187662 /nfs/dbraw/zinc/18/76/62/569187662.db2.gz RVDSMTWQSNUNLV-AOMKIAJQSA-N -1 0 437.492 4.153 50 0 biogenic IIAARM O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253388848 569264356 /nfs/dbraw/zinc/26/43/56/569264356.db2.gz OEGMDPBLBBZKGJ-MQMHXKEQSA-N -1 0 442.459 4.258 50 0 IIAARM Cc1ccccc1-n1c(S[C@@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002355613 569285824 /nfs/dbraw/zinc/28/58/24/569285824.db2.gz BQPIUDNWFGGBRQ-LBPRGKRZSA-N -1 0 430.551 4.172 50 0 IIAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc(Br)cc1Cl ZINC000013113145 569310665 /nfs/dbraw/zinc/31/06/65/569310665.db2.gz BZDIDJOJHFYCSB-UHFFFAOYSA-N -1 0 448.129 4.137 50 0 IIAARM Cc1ccc(N2C(=O)CC(N3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)=C2[O-])cc1 ZINC000019879568 569331602 /nfs/dbraw/zinc/33/16/02/569331602.db2.gz NEICUGHFAJPPPA-KFXAOSDLSA-N -1 0 426.881 4.017 50 0 IIAARM Cc1ccc(-c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccccc2)cc1 ZINC000020328844 569360853 /nfs/dbraw/zinc/36/08/53/569360853.db2.gz BLNMWUAAICOQFC-UHFFFAOYSA-N -1 0 431.517 4.465 50 0 IIAARM COC(=O)C[C@H](c1ccc(O)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114799 569383006 /nfs/dbraw/zinc/38/30/06/569383006.db2.gz GKQQIQDTZCKJJY-QGZVFWFLSA-N -1 0 432.428 4.272 50 0 biogenic IIAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1 ZINC000002472493 569404417 /nfs/dbraw/zinc/40/44/17/569404417.db2.gz IAJWFABNVLHZAA-MAUKXSAKSA-N -1 0 438.343 4.215 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000002503367 569406091 /nfs/dbraw/zinc/40/60/91/569406091.db2.gz UMDMZXKFJXUYKH-HSZRJFAPSA-N -1 0 432.501 4.411 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NC3CCCCC3)c(=O)c2cc1OCC ZINC000003010244 569435341 /nfs/dbraw/zinc/43/53/41/569435341.db2.gz JZZAHLAWHYHENS-UHFFFAOYSA-N -1 0 433.574 4.086 50 0 IIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc(F)cc1 ZINC000003238222 569442520 /nfs/dbraw/zinc/44/25/20/569442520.db2.gz TWQAHELWFCCJMV-UHFFFAOYSA-N -1 0 445.443 4.114 50 0 IIAARM COc1ccc(OC)c(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)c1 ZINC000003631043 569455310 /nfs/dbraw/zinc/45/53/10/569455310.db2.gz GDZDRDKKTROXGL-UHFFFAOYSA-N -1 0 447.516 4.003 50 0 IIAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)cc1 ZINC000003631206 569455404 /nfs/dbraw/zinc/45/54/04/569455404.db2.gz OBKQXFXOKCEOMW-UHFFFAOYSA-N -1 0 431.517 4.189 50 0 IIAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(C)c21 ZINC000008876907 569481157 /nfs/dbraw/zinc/48/11/57/569481157.db2.gz MZPCEUUKQJAFTG-IBGZPJMESA-N -1 0 447.487 4.127 50 0 biogenic IIAARM O=C(c1cc(S(=O)(=O)c2ccccc2)c2nc3ccccc3n2c1)c1ccccc1[O-] ZINC000008941461 569488633 /nfs/dbraw/zinc/48/86/33/569488633.db2.gz YGLWKDHFWHZUBA-UHFFFAOYSA-N -1 0 428.469 4.257 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccccc2F)c1 ZINC000008965487 569491428 /nfs/dbraw/zinc/49/14/28/569491428.db2.gz LXBQZDLZFRZJCN-UHFFFAOYSA-N -1 0 445.472 4.288 50 0 IIAARM O=C([O-])CCCNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000008991544 569495317 /nfs/dbraw/zinc/49/53/17/569495317.db2.gz HVRWFEZLYOALLI-UHFFFAOYSA-N -1 0 439.943 4.306 50 0 IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc(OC)c1O ZINC000040287482 569498173 /nfs/dbraw/zinc/49/81/73/569498173.db2.gz ZKMQSXFVMOPVFZ-AWEZNQCLSA-N -1 0 426.400 4.161 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccccc1OC(F)(F)F ZINC000040287337 569498216 /nfs/dbraw/zinc/49/82/16/569498216.db2.gz WETWDLADELAXJG-GOSISDBHSA-N -1 0 446.385 4.186 50 0 IIAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Br)cc2)c1 ZINC000040312865 569498950 /nfs/dbraw/zinc/49/89/50/569498950.db2.gz SESSQKLHUSCRIH-SFHVURJKSA-N -1 0 441.285 4.050 50 0 biogenic IIAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21 ZINC000040450341 569506234 /nfs/dbraw/zinc/50/62/34/569506234.db2.gz LPNXHBMXCMEYRG-UHFFFAOYSA-N -1 0 443.750 4.202 50 0 IIAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2OCC(C)(C)C1=O ZINC000009167644 569509021 /nfs/dbraw/zinc/50/90/21/569509021.db2.gz OLLQINBVJRCEIM-UHFFFAOYSA-N -1 0 428.963 4.364 50 0 IIAARM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009169303 569509213 /nfs/dbraw/zinc/50/92/13/569509213.db2.gz NCZBAJRIMKMEEL-UHFFFAOYSA-N -1 0 434.533 4.424 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000009338353 569523619 /nfs/dbraw/zinc/52/36/19/569523619.db2.gz PLMVNMBUAPJPMX-UHFFFAOYSA-N -1 0 442.512 4.216 50 0 IIAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2)c1ccccc1 ZINC000009510590 569542826 /nfs/dbraw/zinc/54/28/26/569542826.db2.gz UXZRMAVWADYBIJ-RTWAWAEBSA-N -1 0 449.511 4.364 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000009630885 569553727 /nfs/dbraw/zinc/55/37/27/569553727.db2.gz CDUUGBNIPAXPDE-UHFFFAOYSA-N -1 0 446.488 4.322 50 0 IIAARM COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000009637599 569554813 /nfs/dbraw/zinc/55/48/13/569554813.db2.gz TVPVEIHDIUTOBN-UHFFFAOYSA-N -1 0 438.505 4.181 50 0 IIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000009646531 569556307 /nfs/dbraw/zinc/55/63/07/569556307.db2.gz TZMWTVHGYFQVLH-UHFFFAOYSA-N -1 0 439.486 4.035 50 0 IIAARM CSc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000009828609 569569883 /nfs/dbraw/zinc/56/98/83/569569883.db2.gz HFSUMGUIPIPZMH-UHFFFAOYSA-N -1 0 433.580 4.155 50 0 IIAARM COc1ccccc1CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000009957286 569574795 /nfs/dbraw/zinc/57/47/95/569574795.db2.gz MGZDVORIYQWFAZ-UHFFFAOYSA-N -1 0 440.521 4.076 50 0 IIAARM Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000064450500 569584998 /nfs/dbraw/zinc/58/49/98/569584998.db2.gz JDAHLPCSNDAWSV-UHFFFAOYSA-N -1 0 432.914 4.623 50 0 IIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)/C=C(/C(=O)[O-])c4ccccc4)cc3)CC2)c1 ZINC000000627001 132227886 /nfs/dbraw/zinc/22/78/86/132227886.db2.gz USASQUGPKVWPIK-NCELDCMTSA-N -1 0 441.531 4.428 50 0 aggregator IIAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCCc2ccccc21 ZINC000009828519 132241359 /nfs/dbraw/zinc/24/13/59/132241359.db2.gz GRINHVZDKQAZKH-UHFFFAOYSA-N -1 0 447.969 4.119 50 0 IIAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)[O-])CC2)cc1 ZINC000008602067 132286576 /nfs/dbraw/zinc/28/65/76/132286576.db2.gz QBLRKLFSKROGGO-UHFFFAOYSA-N -1 0 449.532 4.228 50 0 IIAARM CCC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009459803 132318131 /nfs/dbraw/zinc/31/81/31/132318131.db2.gz JLYSOJRCTDSVHP-WUKNDPDISA-N -1 0 433.386 4.073 50 0 IIAARM Cc1ccc(C)c(N2CCN(C(=O)Cc3c4cc(Cl)ccc4[nH]c3C(=O)[O-])CC2)c1 ZINC000009560574 132321359 /nfs/dbraw/zinc/32/13/59/132321359.db2.gz AJDDQDLPRHSRDV-UHFFFAOYSA-N -1 0 425.916 4.028 50 0 IIAARM CC(C)c1ccc(-c2nc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)cs2)cc1 ZINC000012872151 519833899 /nfs/dbraw/zinc/83/38/99/519833899.db2.gz YAUBOLUUONZXFY-QHCPKHFHSA-N -1 0 434.521 4.046 50 0 IIAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)NC3CCCCC3)c(=O)c2cc1OCC ZINC000020644736 520787472 /nfs/dbraw/zinc/78/74/72/520787472.db2.gz QUSKZVAFDKIYCK-UHFFFAOYSA-N -1 0 447.601 4.476 50 0 IIAARM CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854533 522537459 /nfs/dbraw/zinc/53/74/59/522537459.db2.gz BXKDURXRTYVMMQ-HXUWFJFHSA-N -1 0 437.544 4.110 50 0 IIAARM C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCCC1)n1c(=O)c2ccccc2[n-]c1=S ZINC000012762375 524085085 /nfs/dbraw/zinc/08/50/85/524085085.db2.gz VLAVQUOIEQAPTM-KRWDZBQOSA-N -1 0 436.581 4.269 50 0 IIAARM Cc1cccc(OCc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)c1 ZINC000021702610 524766217 /nfs/dbraw/zinc/76/62/17/524766217.db2.gz RRZLIXDBIVPPHY-UHFFFAOYSA-N -1 0 427.507 4.486 50 0 IIAARM CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c21)/C(=C/C(=O)[O-])CC3 ZINC000034826099 525239673 /nfs/dbraw/zinc/23/96/73/525239673.db2.gz LTPAQIWYCWUQBV-MDWZMJQESA-N -1 0 433.888 4.300 50 0 IIAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cc3C(=O)[O-])CC2)c1 ZINC000033078544 526157233 /nfs/dbraw/zinc/15/72/33/526157233.db2.gz OBPMJYGESCNORE-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000020729119 526315514 /nfs/dbraw/zinc/31/55/14/526315514.db2.gz YZSCFLHMQSCRBK-IBGZPJMESA-N -1 0 432.293 4.017 50 0 IIAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(c3cccc(Cl)c3)CC2)sc2ncnn12 ZINC000022609585 526332518 /nfs/dbraw/zinc/33/25/18/526332518.db2.gz BTVCLKPHFDLOFP-SFHVURJKSA-N -1 0 443.935 4.201 50 0 IIAARM O=C(CCc1nnc(-c2cccc(OCC3CCC3)c2)[n-]c1=O)NCCCc1ccccc1 ZINC000034765801 526660673 /nfs/dbraw/zinc/66/06/73/526660673.db2.gz FPALMGCEAKWNCN-UHFFFAOYSA-N -1 0 446.551 4.105 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1F ZINC000041154798 527249992 /nfs/dbraw/zinc/24/99/92/527249992.db2.gz AGSLUKKEOPRYNX-UHFFFAOYSA-N -1 0 425.890 4.113 50 0 IIAARM O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000012630552 527251770 /nfs/dbraw/zinc/25/17/70/527251770.db2.gz NFXLLZLXOTWDNO-UHFFFAOYSA-N -1 0 443.838 4.148 50 0 IIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1/C=C/c1ccccc1 ZINC000016319877 527571528 /nfs/dbraw/zinc/57/15/28/527571528.db2.gz VSOMDUOOXSHWEX-QKIXSCASSA-N -1 0 427.298 4.332 50 0 IIAARM O=C([O-])CSc1c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2nc2c1CCCC2 ZINC000020286771 527620878 /nfs/dbraw/zinc/62/08/78/527620878.db2.gz ATOTULNBLLDBIQ-UHFFFAOYSA-N -1 0 436.489 4.271 50 0 IIAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1Cl ZINC000000668128 555529620 /nfs/dbraw/zinc/52/96/20/555529620.db2.gz UJOJTQVCNZSCFM-YPHDTHBOSA-N -1 0 443.886 4.284 50 0 IIAARM Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000000908243 555582290 /nfs/dbraw/zinc/58/22/90/555582290.db2.gz XYNCFLACDZZQEL-UHFFFAOYSA-N -1 0 436.493 4.201 50 0 IIAARM O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000000996656 555598670 /nfs/dbraw/zinc/59/86/70/555598670.db2.gz WCXMAKLFSZOKSH-VGOFMYFVSA-N -1 0 448.479 4.222 50 0 IIAARM O=C([O-])c1cccc(N[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000001052992 555613936 /nfs/dbraw/zinc/61/39/36/555613936.db2.gz KEWCXUVGESEIRB-FQEVSTJZSA-N -1 0 430.913 4.170 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cc1 ZINC000001059154 555615439 /nfs/dbraw/zinc/61/54/39/555615439.db2.gz JRDCGRSVUNUHIX-UHFFFAOYSA-N -1 0 448.504 4.254 50 0 IIAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000001111345 555631778 /nfs/dbraw/zinc/63/17/78/555631778.db2.gz SVWMBWAMPFTAQG-UHFFFAOYSA-N -1 0 431.295 4.224 50 0 IIAARM CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000001772177 555713772 /nfs/dbraw/zinc/71/37/72/555713772.db2.gz ZXBHBLZNAWSDHZ-UHFFFAOYSA-N -1 0 440.525 4.017 50 0 IIAARM CCCCC(=O)NC([N-]c1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000002050114 555728746 /nfs/dbraw/zinc/72/87/46/555728746.db2.gz FAIXWNYBLNRHGH-UHFFFAOYSA-N -1 0 445.429 4.265 50 0 IIAARM Cc1oc2cc3oc(=O)c(CC(=O)NCCCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002120368 555745284 /nfs/dbraw/zinc/74/52/84/555745284.db2.gz NYZGRPCALVIKKY-UHFFFAOYSA-N -1 0 433.460 4.347 50 0 biogenic IIAARM O=C([O-])[C@H](CSCCc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583257 555788961 /nfs/dbraw/zinc/78/89/61/555788961.db2.gz WYSIURZWHSQBII-QHCPKHFHSA-N -1 0 448.544 4.349 50 0 IIAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000006142057 556077088 /nfs/dbraw/zinc/07/70/88/556077088.db2.gz BRIRKFJSVSFJIQ-MUYFXNHWSA-N -1 0 449.503 4.235 50 0 biogenic IIAARM O=S(=O)([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Br)cc1 ZINC000006142751 556077519 /nfs/dbraw/zinc/07/75/19/556077519.db2.gz ILBIIZTUGYVBTQ-UHFFFAOYSA-N -1 0 444.763 4.346 50 0 IIAARM CCCCOc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000009441983 556292182 /nfs/dbraw/zinc/29/21/82/556292182.db2.gz WXDLLVSWNPQTGL-SDXDJHTJSA-N -1 0 435.567 4.337 50 0 IIAARM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000009553948 556297658 /nfs/dbraw/zinc/29/76/58/556297658.db2.gz OBPGSZYIUNIXOU-UHFFFAOYSA-N -1 0 426.856 4.219 50 0 IIAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)NCc1ccc(F)cc1 ZINC000032778451 556351459 /nfs/dbraw/zinc/35/14/59/556351459.db2.gz SWXUIDYTWPUSEF-UHFFFAOYSA-N -1 0 445.328 4.160 50 0 IIAARM COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000014010148 556354852 /nfs/dbraw/zinc/35/48/52/556354852.db2.gz IQJKEOJDHRPNIT-DEDYPNTBSA-N -1 0 444.443 4.070 50 0 IIAARM O=C([O-])c1ccc2c(=O)n(C[C@@H]3CCCO3)c(SCc3ccc(F)cc3Cl)nc2c1 ZINC000013053086 556448502 /nfs/dbraw/zinc/44/85/02/556448502.db2.gz NHXXITQIFAUNMV-HNNXBMFYSA-N -1 0 448.903 4.359 50 0 IIAARM COc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000029896910 556485841 /nfs/dbraw/zinc/48/58/41/556485841.db2.gz CLPQGXMYIFVTPQ-UHFFFAOYSA-N -1 0 441.347 4.243 50 0 IIAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc(OC)c1O ZINC000015082783 556501651 /nfs/dbraw/zinc/50/16/51/556501651.db2.gz XSMYCDIHLUKXOQ-CYBMUJFWSA-N -1 0 443.452 4.449 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1C ZINC000015339264 556521890 /nfs/dbraw/zinc/52/18/90/556521890.db2.gz VUDHQWFWSCYTTP-UHFFFAOYSA-N -1 0 436.533 4.003 50 0 IIAARM CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017094933 556658051 /nfs/dbraw/zinc/65/80/51/556658051.db2.gz MUTNEVJPMSBXMB-SJORKVTESA-N -1 0 426.538 4.462 50 0 IIAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccc(C)cc2)C1 ZINC000017096071 556659786 /nfs/dbraw/zinc/65/97/86/556659786.db2.gz RMIWMABRVJLBIW-OAHLLOKOSA-N -1 0 428.554 4.305 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017097108 556661156 /nfs/dbraw/zinc/66/11/56/556661156.db2.gz IALBRZJPQVODKF-HZPDHXFCSA-N -1 0 430.570 4.295 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017097107 556661215 /nfs/dbraw/zinc/66/12/15/556661215.db2.gz IALBRZJPQVODKF-HOTGVXAUSA-N -1 0 430.570 4.295 50 0 IIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017098014 556662541 /nfs/dbraw/zinc/66/25/41/556662541.db2.gz PQHYNLWILRRVJG-CYBMUJFWSA-N -1 0 432.542 4.225 50 0 IIAARM Cc1[n-]n(-c2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(=O)c1Cc1ccccc1 ZINC000136168165 556746622 /nfs/dbraw/zinc/74/66/22/556746622.db2.gz UVWHUQXHWGFOFL-UHFFFAOYSA-N -1 0 446.514 4.406 50 0 IIAARM O=C([O-])[C@@H](CN1CCCc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000722977410 556749424 /nfs/dbraw/zinc/74/94/24/556749424.db2.gz UJOIDAZSTFNCQY-XMMPIXPASA-N -1 0 442.515 4.431 50 0 IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000097940882 556810458 /nfs/dbraw/zinc/81/04/58/556810458.db2.gz UPHFMRBEVYWNTG-UHFFFAOYSA-N -1 0 442.541 4.022 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CCC3)c1 ZINC000019631826 556832695 /nfs/dbraw/zinc/83/26/95/556832695.db2.gz MOWVXZNBTQZMDZ-JKSUJKDBSA-N -1 0 440.521 4.103 50 0 IIAARM COc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCC3)c1 ZINC000019636236 556835280 /nfs/dbraw/zinc/83/52/80/556835280.db2.gz ACOFFNWXKATAPN-HZPDHXFCSA-N -1 0 442.537 4.327 50 0 IIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000033253498 556893924 /nfs/dbraw/zinc/89/39/24/556893924.db2.gz XOBQXJOYGJUDBG-UHFFFAOYSA-N -1 0 440.949 4.474 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)s1 ZINC000023143998 557025926 /nfs/dbraw/zinc/02/59/26/557025926.db2.gz ZSQOAALNMQIKNO-UHFFFAOYSA-N -1 0 443.525 4.258 50 0 IIAARM CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])C1 ZINC000046053321 557026457 /nfs/dbraw/zinc/02/64/57/557026457.db2.gz JYIPIYLNFQHUGK-AWEZNQCLSA-N -1 0 430.888 4.070 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])c1C ZINC000046053614 557026840 /nfs/dbraw/zinc/02/68/40/557026840.db2.gz GRDXDPGKGHLOMB-UHFFFAOYSA-N -1 0 434.540 4.458 50 0 IIAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023156901 557032058 /nfs/dbraw/zinc/03/20/58/557032058.db2.gz PUIXVPOFMZWOCB-HXUWFJFHSA-N -1 0 437.544 4.164 50 0 IIAARM CCOc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000017307958 557054202 /nfs/dbraw/zinc/05/42/02/557054202.db2.gz SJIUTNFCKMTDNY-UHFFFAOYSA-N -1 0 431.901 4.187 50 0 IIAARM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000033299283 557077580 /nfs/dbraw/zinc/07/75/80/557077580.db2.gz NEJQJTICEGZUTE-UHFFFAOYSA-N -1 0 446.428 4.302 50 0 IIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000112295617 557077687 /nfs/dbraw/zinc/07/76/87/557077687.db2.gz PXEMCJIXSJJZKE-FQEVSTJZSA-N -1 0 446.484 4.061 50 0 IIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000033306460 557085325 /nfs/dbraw/zinc/08/53/25/557085325.db2.gz RKPSYVYRBYCKKJ-QPJJXVBHSA-N -1 0 439.465 4.252 50 0 IIAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Br)cc2F)c1=O ZINC000049409542 557104594 /nfs/dbraw/zinc/10/45/94/557104594.db2.gz RANFULSHZBMGJS-UHFFFAOYSA-N -1 0 425.279 4.333 50 0 IIAARM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2sc3ccccc3c2Cl)C1=O ZINC000023947186 557126971 /nfs/dbraw/zinc/12/69/71/557126971.db2.gz OBDLPQVXNXCUJN-NRFANRHFSA-N -1 0 427.913 4.143 50 0 IIAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)NCc1ccccc1F ZINC000024754768 557162962 /nfs/dbraw/zinc/16/29/62/557162962.db2.gz XYZAGNXAUVILBD-UHFFFAOYSA-N -1 0 445.328 4.160 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccn3)ccc2Cl)cc1 ZINC000024928751 557180917 /nfs/dbraw/zinc/18/09/17/557180917.db2.gz AEUUGOBHPRWMRG-UHFFFAOYSA-N -1 0 431.901 4.187 50 0 IIAARM COc1ccc2c(c1)CCCN2C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000027063383 557256170 /nfs/dbraw/zinc/25/61/70/557256170.db2.gz GROWGBZBDSQBHD-UHFFFAOYSA-N -1 0 428.535 4.151 50 0 IIAARM CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167916 557258323 /nfs/dbraw/zinc/25/83/23/557258323.db2.gz LRSPNNQXXIMYPR-JOCHJYFZSA-N -1 0 440.459 4.042 50 0 IIAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)CC(c1ccccc1)=N2 ZINC000101524962 557290822 /nfs/dbraw/zinc/29/08/22/557290822.db2.gz YNMWGMSPARRUCK-MRXNPFEDSA-N -1 0 436.324 4.012 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000031721686 557291908 /nfs/dbraw/zinc/29/19/08/557291908.db2.gz RECYEROKGGZYSX-UHFFFAOYSA-N -1 0 449.472 4.102 50 0 IIAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn21 ZINC000101836470 557302937 /nfs/dbraw/zinc/30/29/37/557302937.db2.gz NNFPBUDULVFYRF-FQEVSTJZSA-N -1 0 432.480 4.134 50 0 IIAARM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000033007544 557320604 /nfs/dbraw/zinc/32/06/04/557320604.db2.gz OASDADJFCMGYOH-UHFFFAOYSA-N -1 0 425.919 4.108 50 0 IIAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(C)cc5)oc4C)c=3c2=O)cc1 ZINC000102479049 557324288 /nfs/dbraw/zinc/32/42/88/557324288.db2.gz IHKHJQPOIHVCLG-SFTDATJTSA-N -1 0 429.480 4.014 50 0 IIAARM CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1nc2ccccc2[nH]1 ZINC000102783812 557387857 /nfs/dbraw/zinc/38/78/57/557387857.db2.gz FXJWJXQCWZKHEK-DJJJIMSYSA-N -1 0 435.553 4.099 50 0 IIAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NC(C)(C)C)cc1 ZINC000011695898 557393557 /nfs/dbraw/zinc/39/35/57/557393557.db2.gz LBHDIEGBUXHRRI-UHFFFAOYSA-N -1 0 443.594 4.225 50 0 IIAARM COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941987 557551476 /nfs/dbraw/zinc/55/14/76/557551476.db2.gz YWFGECCCBKSXLA-QHCPKHFHSA-N -1 0 445.471 4.455 50 0 IIAARM CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1 ZINC000040450679 557734373 /nfs/dbraw/zinc/73/43/73/557734373.db2.gz KGBRCOKPNGOBPE-LBPRGKRZSA-N -1 0 437.359 4.110 50 0 IIAARM CN(C)c1cccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000225849392 557785045 /nfs/dbraw/zinc/78/50/45/557785045.db2.gz DBQLYQBOEYGVQJ-IBGZPJMESA-N -1 0 444.329 4.058 50 0 IIAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002113005 562925882 /nfs/dbraw/zinc/92/58/82/562925882.db2.gz XADCFPJNKGWCGM-UHFFFAOYSA-N -1 0 439.851 4.220 50 0 biogenic IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4O)cs3)cc2)no1 ZINC000006088854 562946152 /nfs/dbraw/zinc/94/61/52/562946152.db2.gz NHJVATOVVVMYIX-UHFFFAOYSA-N -1 0 444.494 4.062 50 0 IIAARM COc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCC2)c(OC)c1 ZINC000008603712 562956083 /nfs/dbraw/zinc/95/60/83/562956083.db2.gz BNDYLXYZRQZZTC-UHFFFAOYSA-N -1 0 438.505 4.170 50 0 IIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000008604585 562956445 /nfs/dbraw/zinc/95/64/45/562956445.db2.gz PNOGBSWRICKKFJ-UHFFFAOYSA-N -1 0 444.534 4.269 50 0 IIAARM COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O ZINC000008671894 562961023 /nfs/dbraw/zinc/96/10/23/562961023.db2.gz HHHXHHVGVHIZFI-QHCPKHFHSA-N -1 0 441.443 4.239 50 0 IIAARM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000976091 568648056 /nfs/dbraw/zinc/64/80/56/568648056.db2.gz SAMQYNYDDCLWTA-LNYGYFNRSA-N -1 0 425.868 4.183 50 0 IIAARM O=C([O-])c1c(NC(=O)c2ccc(I)cc2)sc2c1CCCC2 ZINC000008387400 568812727 /nfs/dbraw/zinc/81/27/27/568812727.db2.gz URCYYNOWWNOMBM-UHFFFAOYSA-N -1 0 427.263 4.182 50 0 IIAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000015731518 568814928 /nfs/dbraw/zinc/81/49/28/568814928.db2.gz PYBQLHUFZZTDRY-UHFFFAOYSA-N -1 0 446.912 4.016 50 0 IIAARM COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085876449 568838168 /nfs/dbraw/zinc/83/81/68/568838168.db2.gz AASJSLHZQSWREO-SFHVURJKSA-N -1 0 440.473 4.031 50 0 biogenic IIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000006146246 568846092 /nfs/dbraw/zinc/84/60/92/568846092.db2.gz OSXGXOSPWWDLMF-UHFFFAOYSA-N -1 0 444.940 4.470 50 0 IIAARM COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557784 568932054 /nfs/dbraw/zinc/93/20/54/568932054.db2.gz PFAAZGKNDWDOCD-HXUWFJFHSA-N -1 0 439.464 4.166 50 0 IIAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590071 568935295 /nfs/dbraw/zinc/93/52/95/568935295.db2.gz LXIBSCFJRUZYNT-UHFFFAOYSA-N -1 0 445.519 4.362 50 0 IIAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1 ZINC000064590376 568935298 /nfs/dbraw/zinc/93/52/98/568935298.db2.gz JYFZHMNGZJRQPZ-UHFFFAOYSA-N -1 0 427.932 4.412 50 0 IIAARM COc1cc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000064757555 568951974 /nfs/dbraw/zinc/95/19/74/568951974.db2.gz JEXLNJQJPLCGEH-UHFFFAOYSA-N -1 0 443.525 4.269 50 0 IIAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2CC)c1 ZINC000065116124 569107128 /nfs/dbraw/zinc/10/71/28/569107128.db2.gz QCGVOXRBCDGILL-UHFFFAOYSA-N -1 0 443.525 4.234 50 0 IIAARM CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000016847662 569164007 /nfs/dbraw/zinc/16/40/07/569164007.db2.gz WNRGOGQRBSEDPL-UHFFFAOYSA-N -1 0 447.543 4.479 50 0 IIAARM CCCc1ccc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000089960465 569168931 /nfs/dbraw/zinc/16/89/31/569168931.db2.gz HXPYATNKZYVCTA-LRDDRELGSA-N -1 0 443.447 4.111 50 0 IIAARM Cc1ccc(C)c(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000017026359 569171080 /nfs/dbraw/zinc/17/10/80/569171080.db2.gz CPPGMOLTMUZUER-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3c4nsnc4ccc3C)cc2c1C ZINC000001060592 569176602 /nfs/dbraw/zinc/17/66/02/569176602.db2.gz AWCQADLKSFCBAK-UHFFFAOYSA-N -1 0 431.495 4.032 50 0 IIAARM Cc1[n-]n(-c2nnc3c4cc(Br)ccc4n(C)c3n2)c(=O)c1Cc1ccccc1 ZINC000002344788 569275521 /nfs/dbraw/zinc/27/55/21/569275521.db2.gz VNCUXUMHJGHWFD-UHFFFAOYSA-N -1 0 449.312 4.070 50 0 IIAARM CCOC(=O)c1cc(C(F)(F)F)sc1[N-]S(=O)(=O)Cc1ccccc1COC ZINC000328594033 569317450 /nfs/dbraw/zinc/31/74/50/569317450.db2.gz JSYCEUQDBNSSFF-UHFFFAOYSA-N -1 0 437.461 4.032 50 0 IIAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2SC(F)(F)F)C1=O ZINC000019789578 569329233 /nfs/dbraw/zinc/32/92/33/569329233.db2.gz QUYKHLNQUPLJIY-CQSZACIVSA-N -1 0 427.425 4.421 50 0 IIAARM O=C([O-])c1ccccc1SCC(=O)N1C[C@H](c2ccccc2)Oc2ccccc2C1=O ZINC000096592531 569401896 /nfs/dbraw/zinc/40/18/96/569401896.db2.gz MCGCJDPUSHKCAW-HXUWFJFHSA-N -1 0 433.485 4.280 50 0 IIAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1Br ZINC000002731265 569419340 /nfs/dbraw/zinc/41/93/40/569419340.db2.gz QLBDTWMLMGMPNP-UHFFFAOYSA-N -1 0 444.362 4.151 50 0 IIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)ccc1F ZINC000003239781 569442535 /nfs/dbraw/zinc/44/25/35/569442535.db2.gz CORYXYFDJNBTKY-UHFFFAOYSA-N -1 0 445.443 4.114 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227779773 569443444 /nfs/dbraw/zinc/44/34/44/569443444.db2.gz FLWIYWUOZRZPMI-YHAQOWFVSA-N -1 0 427.357 4.310 50 0 IIAARM COc1ccccc1NC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1OC ZINC000003582617 569454375 /nfs/dbraw/zinc/45/43/75/569454375.db2.gz HERHXBQJFRNPDJ-UHFFFAOYSA-N -1 0 446.459 4.063 50 0 IIAARM CCOc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1 ZINC000003630451 569455285 /nfs/dbraw/zinc/45/52/85/569455285.db2.gz YOSJQNXJKCHMJV-UHFFFAOYSA-N -1 0 431.517 4.385 50 0 IIAARM COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631231 569455350 /nfs/dbraw/zinc/45/53/50/569455350.db2.gz OGXIPUVELRHUDY-UHFFFAOYSA-N -1 0 445.544 4.240 50 0 biogenic IIAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 ZINC000003991754 569457475 /nfs/dbraw/zinc/45/74/75/569457475.db2.gz YZRCRMWFSWYJIJ-SNVBAGLBSA-N -1 0 444.372 4.223 50 0 IIAARM CC(C)c1ccc([C@@H](NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)c2cccs2)cc1 ZINC000040047327 569483738 /nfs/dbraw/zinc/48/37/38/569483738.db2.gz KWQPRIVKNWBUSZ-LJQANCHMSA-N -1 0 449.623 4.148 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c(OC)c1 ZINC000008961306 569491003 /nfs/dbraw/zinc/49/10/03/569491003.db2.gz DOQXZPMCMXVJHV-UHFFFAOYSA-N -1 0 440.477 4.171 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccn1)c1cccc(Cl)c1 ZINC000009015919 569496770 /nfs/dbraw/zinc/49/67/70/569496770.db2.gz ITNIUNGTVZDUPG-UHFFFAOYSA-N -1 0 425.901 4.091 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2OC)cc1 ZINC000009127990 569505339 /nfs/dbraw/zinc/50/53/39/569505339.db2.gz UHHUYLNUSLLISV-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O ZINC000040450599 569506318 /nfs/dbraw/zinc/50/63/18/569506318.db2.gz ULDKMZGXSNNYEC-GFCCVEGCSA-N -1 0 437.359 4.110 50 0 IIAARM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2OCC(C)(C)C1=O ZINC000009168256 569509075 /nfs/dbraw/zinc/50/90/75/569509075.db2.gz YGCQUQOIGVPVDE-UHFFFAOYSA-N -1 0 438.496 4.173 50 0 IIAARM CC(C)Cn1c(=O)cc([O-])nc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009465791 569538056 /nfs/dbraw/zinc/53/80/56/569538056.db2.gz PYKQJVZAKAAAFF-UHFFFAOYSA-N -1 0 436.748 4.296 50 0 IIAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3ccc(Br)cc3)c(=O)c12 ZINC000010166810 569578331 /nfs/dbraw/zinc/57/83/31/569578331.db2.gz FMXIGGCTMBMDQO-UHFFFAOYSA-N -1 0 437.297 4.345 50 0 IIAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000001407476 533417269 /nfs/dbraw/zinc/41/72/69/533417269.db2.gz SIEVTHGHBGMTQH-LFIBNONCSA-N -1 0 437.805 4.005 50 0 IIAARM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000008608644 132287599 /nfs/dbraw/zinc/28/75/99/132287599.db2.gz KVEOAEOVNVTQJM-UHFFFAOYSA-N -1 0 434.489 4.420 50 0 IIAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)s1 ZINC000012605353 519678121 /nfs/dbraw/zinc/67/81/21/519678121.db2.gz OIYZBUALOVQNDM-UHFFFAOYSA-N -1 0 443.575 4.462 50 0 IIAARM CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000012137053 519838285 /nfs/dbraw/zinc/83/82/85/519838285.db2.gz QDEOSWVERXZRFW-OAHLLOKOSA-N -1 0 445.566 4.473 50 0 IIAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000035397492 520484517 /nfs/dbraw/zinc/48/45/17/520484517.db2.gz YTVHKQZPNKUNOP-UHFFFAOYSA-N -1 0 431.558 4.086 50 0 IIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)ccc2Cl)cc1 ZINC000012605877 521131149 /nfs/dbraw/zinc/13/11/49/521131149.db2.gz DVXSKRAHUWAKCT-UHFFFAOYSA-N -1 0 435.889 4.088 50 0 IIAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000021882735 521204859 /nfs/dbraw/zinc/20/48/59/521204859.db2.gz PCLJJVSXLJLYSO-CQSZACIVSA-N -1 0 437.525 4.020 50 0 IIAARM CCCc1cc(Br)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783072 521351610 /nfs/dbraw/zinc/35/16/10/521351610.db2.gz ILMHEIHIVWDSAK-GJZGRUSLSA-N -1 0 428.323 4.243 50 0 IIAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000012341926 522533725 /nfs/dbraw/zinc/53/37/25/522533725.db2.gz DDPKIHPWNBLTQI-LJQANCHMSA-N -1 0 426.492 4.485 50 0 IIAARM CCc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854879 522537418 /nfs/dbraw/zinc/53/74/18/522537418.db2.gz OOXOZHZVHWFKMA-HXUWFJFHSA-N -1 0 437.544 4.110 50 0 IIAARM CCc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854877 522537700 /nfs/dbraw/zinc/53/77/00/522537700.db2.gz OOXOZHZVHWFKMA-FQEVSTJZSA-N -1 0 437.544 4.110 50 0 IIAARM COc1cc(NC(=O)c2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021353397 522729141 /nfs/dbraw/zinc/72/91/41/522729141.db2.gz JYEKXTXZASGOKV-UHFFFAOYSA-N -1 0 439.518 4.358 50 0 IIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000015782011 523045327 /nfs/dbraw/zinc/04/53/27/523045327.db2.gz CMQNVMQAHKPUAC-INIZCTEOSA-N -1 0 438.402 4.329 50 0 IIAARM Cc1cc(C)cc(C[C@H](CC(=O)Nc2ccccc2I)C(=O)[O-])c1 ZINC000035142299 524399601 /nfs/dbraw/zinc/39/96/01/524399601.db2.gz VOUBMZDBOLZHPH-OAHLLOKOSA-N -1 0 437.277 4.180 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000033078535 524563589 /nfs/dbraw/zinc/56/35/89/524563589.db2.gz LUDLVQUSXJLZBS-UHFFFAOYSA-N -1 0 445.519 4.281 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1F ZINC000012552310 524640941 /nfs/dbraw/zinc/64/09/41/524640941.db2.gz SRNAGOQARYKQKD-UHFFFAOYSA-N -1 0 448.903 4.219 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000012561135 524644732 /nfs/dbraw/zinc/64/47/32/524644732.db2.gz QUKJOJWBHLNOJW-HNNXBMFYSA-N -1 0 442.562 4.317 50 0 IIAARM C[C@@H]1CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)C[C@@H](C)O1 ZINC000022852134 525058245 /nfs/dbraw/zinc/05/82/45/525058245.db2.gz VBUOBYPBOLJFIT-XNJGSVPQSA-N -1 0 428.489 4.094 50 0 IIAARM C[C@@H](Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)N1CCCC1 ZINC000012556935 525708722 /nfs/dbraw/zinc/70/87/22/525708722.db2.gz OTNDFLYNWFOQNZ-CYBMUJFWSA-N -1 0 442.368 4.217 50 0 IIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000033116466 526556240 /nfs/dbraw/zinc/55/62/40/526556240.db2.gz RZOVMOVZJJPQJX-UHFFFAOYSA-N -1 0 434.543 4.221 50 0 IIAARM Cc1nc2cc([N-]S(=O)(=O)c3cc(Br)ccc3Br)ccc2o1 ZINC000012536095 527129534 /nfs/dbraw/zinc/12/95/34/527129534.db2.gz WUOFYZCZJHTAPW-UHFFFAOYSA-N -1 0 446.120 4.462 50 0 IIAARM O=C(Nc1ccc(OC(F)(F)F)cc1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628058 527240304 /nfs/dbraw/zinc/24/03/04/527240304.db2.gz BSIAFENJGUACNK-UHFFFAOYSA-N -1 0 443.428 4.095 50 0 IIAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(Br)ccc1Br ZINC000012927390 527248596 /nfs/dbraw/zinc/24/85/96/527248596.db2.gz CXIIHPHPYWXVBS-UHFFFAOYSA-N -1 0 427.064 4.291 50 0 IIAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000009716911 536164985 /nfs/dbraw/zinc/16/49/85/536164985.db2.gz RGNKJCQKEAWIKL-SFHVURJKSA-N -1 0 443.573 4.171 50 0 IIAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000009716863 536165260 /nfs/dbraw/zinc/16/52/60/536165260.db2.gz UOSIZFRCUUACSB-SFHVURJKSA-N -1 0 443.573 4.171 50 0 IIAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000676842 555535189 /nfs/dbraw/zinc/53/51/89/555535189.db2.gz LVELBPNWOUGWAI-HNNXBMFYSA-N -1 0 443.525 4.315 50 0 IIAARM O=C(c1ccncc1)N(C1=C([O-])N(c2cccc(Cl)c2)C(=O)C1)c1cccc(Cl)c1 ZINC000000956448 555590374 /nfs/dbraw/zinc/59/03/74/555590374.db2.gz IHGWCJCNTAZUQS-IBGZPJMESA-N -1 0 440.286 4.367 50 0 IIAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001026307 555604383 /nfs/dbraw/zinc/60/43/83/555604383.db2.gz FLEBTYBNWFEZOJ-UHFFFAOYSA-N -1 0 433.351 4.373 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 ZINC000001049325 555612465 /nfs/dbraw/zinc/61/24/65/555612465.db2.gz PDOJCEVDHJRVMJ-UHFFFAOYSA-N -1 0 428.941 4.422 50 0 IIAARM Cc1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)COc1ccccc1C ZINC000001178717 555670812 /nfs/dbraw/zinc/67/08/12/555670812.db2.gz IISUJVACVMRGKY-UHFFFAOYSA-N -1 0 448.475 4.037 50 0 IIAARM CCCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001778100 555714324 /nfs/dbraw/zinc/71/43/24/555714324.db2.gz IKBQMXUYVOUCQG-LFYBBSHMSA-N -1 0 443.550 4.385 50 0 IIAARM NC(=O)c1sc(-c2ccsc2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000002153694 555749931 /nfs/dbraw/zinc/74/99/31/555749931.db2.gz BQZOJRKIOQHISH-UHFFFAOYSA-N -1 0 432.470 4.395 50 0 IIAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000002400235 555776177 /nfs/dbraw/zinc/77/61/77/555776177.db2.gz ZLFSPWVAZSBCJN-UHFFFAOYSA-N -1 0 440.550 4.155 50 0 IIAARM O=C([O-])[C@H](CC(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002508186 555785205 /nfs/dbraw/zinc/78/52/05/555785205.db2.gz OCMZRMNYEXIKQI-QFIPXVFZSA-N -1 0 437.492 4.244 50 0 IIAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000003864268 555949524 /nfs/dbraw/zinc/94/95/24/555949524.db2.gz RFCNSIJLGGXDMA-JKSUJKDBSA-N -1 0 431.510 4.430 50 0 IIAARM O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000006075807 556074538 /nfs/dbraw/zinc/07/45/38/556074538.db2.gz PRVLDXXSZFOTAN-UHFFFAOYSA-N -1 0 448.859 4.230 50 0 IIAARM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009526093 556296972 /nfs/dbraw/zinc/29/69/72/556296972.db2.gz SNWYVMOFVRKNNE-UHFFFAOYSA-N -1 0 428.529 4.325 50 0 IIAARM COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000014009482 556354107 /nfs/dbraw/zinc/35/41/07/556354107.db2.gz ADKVJNFSDPOPHJ-XSFVSMFZSA-N -1 0 444.443 4.070 50 0 IIAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc(-c3ccc(Cl)cc3Cl)o1)C2=O ZINC000014135723 556375172 /nfs/dbraw/zinc/37/51/72/556375172.db2.gz XBVZIZPMNYPIPC-UHFFFAOYSA-N -1 0 436.295 4.399 50 0 IIAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3cc(Br)ccc3c2)C[C@H]1C(=O)[O-] ZINC000014632514 556430071 /nfs/dbraw/zinc/43/00/71/556430071.db2.gz MAAOABLIRYOJQI-IRXDYDNUSA-N -1 0 436.302 4.444 50 0 IIAARM CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013466819 556507260 /nfs/dbraw/zinc/50/72/60/556507260.db2.gz LHGZGJYHADNRTM-UHFFFAOYSA-N -1 0 436.574 4.004 50 0 IIAARM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000015686120 556543340 /nfs/dbraw/zinc/54/33/40/556543340.db2.gz IERDOEXPVCYRFP-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM Cc1nn(-c2ccccc2)c(C)c1[C@H]([N-]S(=O)(=O)c1ccccc1F)C(F)(F)F ZINC000072307496 556562567 /nfs/dbraw/zinc/56/25/67/556562567.db2.gz NULWWOXKFZZASN-SFHVURJKSA-N -1 0 427.423 4.210 50 0 IIAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCc2c(c3ccccc3n2C(=O)OC(C)(C)C)C1 ZINC000033414793 556564020 /nfs/dbraw/zinc/56/40/20/556564020.db2.gz SWRSXXABCASEQK-HSZRJFAPSA-N -1 0 430.501 4.261 50 0 IIAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)nc2c1 ZINC000016227799 556593307 /nfs/dbraw/zinc/59/33/07/556593307.db2.gz XISSCLNUUVIICM-UHFFFAOYSA-N -1 0 432.933 4.083 50 0 IIAARM CC(C)(C)OC(=O)C[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000036914696 556600800 /nfs/dbraw/zinc/60/08/00/556600800.db2.gz STBMKQNEFSJOCS-XMMPIXPASA-N -1 0 425.481 4.100 50 0 IIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016625200 556618706 /nfs/dbraw/zinc/61/87/06/556618706.db2.gz JDQBTCHABZHYEP-UHFFFAOYSA-N -1 0 440.974 4.107 50 0 IIAARM Cc1sc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017094964 556658307 /nfs/dbraw/zinc/65/83/07/556658307.db2.gz PIYRNWOWYSNVGD-NANBGGJNSA-N -1 0 426.538 4.206 50 0 IIAARM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(OCC(=O)[O-])c(Cl)c3)ccc2o1 ZINC000060318278 556664903 /nfs/dbraw/zinc/66/49/03/556664903.db2.gz NDNQBIFAODOXDZ-UHFFFAOYSA-N -1 0 438.889 4.043 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000017102476 556666710 /nfs/dbraw/zinc/66/67/10/556666710.db2.gz GNJFAGZTGDIDKU-SJORKVTESA-N -1 0 438.549 4.162 50 0 IIAARM CCc1nc(COc2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000058326416 556781003 /nfs/dbraw/zinc/78/10/03/556781003.db2.gz SXLDLRRMNHDODH-UHFFFAOYSA-N -1 0 428.297 4.319 50 0 IIAARM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000058328148 556781193 /nfs/dbraw/zinc/78/11/93/556781193.db2.gz IATXYAOVDCZFKB-TZIWHRDSSA-N -1 0 442.562 4.199 50 0 IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000097940891 556810637 /nfs/dbraw/zinc/81/06/37/556810637.db2.gz IHKBMPWHOQRRSG-UHFFFAOYSA-N -1 0 448.932 4.058 50 0 IIAARM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000097940840 556811514 /nfs/dbraw/zinc/81/15/14/556811514.db2.gz RVLYCEYNABWUQW-UHFFFAOYSA-N -1 0 442.541 4.138 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCCCC3)o2)cc1Cl ZINC000097940823 556811553 /nfs/dbraw/zinc/81/15/53/556811553.db2.gz ZPWWNOVFDNBCMU-UHFFFAOYSA-N -1 0 448.932 4.058 50 0 IIAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000019645931 556840218 /nfs/dbraw/zinc/84/02/18/556840218.db2.gz QIHYRUKHIDHGLC-HUUCEWRRSA-N -1 0 447.509 4.048 50 0 IIAARM CCCC(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260613 556897405 /nfs/dbraw/zinc/89/74/05/556897405.db2.gz XDCPGNHEWJEIAC-UHFFFAOYSA-N -1 0 432.524 4.307 50 0 IIAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000032946894 557036693 /nfs/dbraw/zinc/03/66/93/557036693.db2.gz UAUORMTTWSYRCY-UHFFFAOYSA-N -1 0 447.510 4.407 50 0 IIAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)c1 ZINC000017206826 557038473 /nfs/dbraw/zinc/03/84/73/557038473.db2.gz DNGMZXYAGRBBDS-UHFFFAOYSA-N -1 0 434.477 4.211 50 0 IIAARM CC(C)Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(F)c1 ZINC000072191567 557100109 /nfs/dbraw/zinc/10/01/09/557100109.db2.gz OLDRYZMLSVZBNS-UHFFFAOYSA-N -1 0 428.489 4.169 50 0 IIAARM O=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000033332872 557117876 /nfs/dbraw/zinc/11/78/76/557117876.db2.gz IEBZGBIRUMIYIB-KTKRTIGZSA-N -1 0 449.319 4.236 50 0 IIAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3ncn(C)c3Cl)ccc2OC(F)F)cc1 ZINC000026536350 557243791 /nfs/dbraw/zinc/24/37/91/557243791.db2.gz RHSMUANDWVVMAX-UHFFFAOYSA-N -1 0 443.859 4.151 50 0 IIAARM Cc1oc(-c2ccc(C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000018159055 557243916 /nfs/dbraw/zinc/24/39/16/557243916.db2.gz JGMACGANYJAZRU-RTBURBONSA-N -1 0 435.871 4.105 50 0 IIAARM COc1cc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)ccc1O ZINC000101494827 557288805 /nfs/dbraw/zinc/28/88/05/557288805.db2.gz GLAUUFVZRGEVJK-QGZVFWFLSA-N -1 0 441.534 4.221 50 0 IIAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)N1CCC(C)CC1 ZINC000101833017 557301113 /nfs/dbraw/zinc/30/11/13/557301113.db2.gz GLUWJQVMQMGQFO-UHFFFAOYSA-N -1 0 428.533 4.340 50 0 IIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(F)(F)F)c1 ZINC000014205448 557318018 /nfs/dbraw/zinc/31/80/18/557318018.db2.gz MBIXSEKIAUKIOM-UHFFFAOYSA-N -1 0 443.266 4.289 50 0 IIAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn21 ZINC000102901462 557411678 /nfs/dbraw/zinc/41/16/78/557411678.db2.gz XALRLWPYDFWABV-SFHVURJKSA-N -1 0 438.871 4.171 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2cccs2)n1C1CC1)c1nc(C)cs1 ZINC000103035011 557415981 /nfs/dbraw/zinc/41/59/81/557415981.db2.gz LEEPUOUFTGJQMR-OAHLLOKOSA-N -1 0 448.595 4.115 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nnc(-c2cccc(Cl)c2)o1)c1nc(C)cs1 ZINC000103034978 557416014 /nfs/dbraw/zinc/41/60/14/557416014.db2.gz JDAIOZDSEHTIDV-CQSZACIVSA-N -1 0 437.930 4.163 50 0 IIAARM COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942040 557551754 /nfs/dbraw/zinc/55/17/54/557551754.db2.gz OHNMYZODABLNOK-HSZRJFAPSA-N -1 0 429.472 4.489 50 0 IIAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229968375 557834415 /nfs/dbraw/zinc/83/44/15/557834415.db2.gz WMUKCJWSARQGPN-BHDDXSALSA-N -1 0 434.879 4.400 50 0 IIAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229968897 557834475 /nfs/dbraw/zinc/83/44/75/557834475.db2.gz VOOMCSJTSLNGRL-XUVXKRRUSA-N -1 0 440.908 4.461 50 0 IIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3cccc(C)c3)cc2)c1C ZINC000001773809 562924701 /nfs/dbraw/zinc/92/47/01/562924701.db2.gz BTIXDEWCLGIGLT-UHFFFAOYSA-N -1 0 443.525 4.198 50 0 IIAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002103370 562925815 /nfs/dbraw/zinc/92/58/15/562925815.db2.gz HBFBIDWOAUFXJU-HXUWFJFHSA-N -1 0 433.460 4.427 50 0 biogenic IIAARM CCN(C(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccccc1 ZINC000013096922 562984300 /nfs/dbraw/zinc/98/43/00/562984300.db2.gz RSJXFHLQPGPMKT-AWEZNQCLSA-N -1 0 447.413 4.195 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000025147151 568641309 /nfs/dbraw/zinc/64/13/09/568641309.db2.gz XLMCPCXYAKWJQY-UHFFFAOYSA-N -1 0 427.482 4.149 50 0 IIAARM O=C(/C=C/c1ccco1)NC(=S)Nc1cc(Br)c([O-])c(Br)c1 ZINC000003296233 568745378 /nfs/dbraw/zinc/74/53/78/568745378.db2.gz VQVDBYMXDPKLLW-ONEGZZNKSA-N -1 0 446.120 4.037 50 0 IIAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](OC(=O)CCC(=O)[O-])C[C@]12C ZINC000004027075 568758670 /nfs/dbraw/zinc/75/86/70/568758670.db2.gz JBBNFGYRYNBDIH-JRTJEVDDSA-N -1 0 430.541 4.110 50 0 biogenic IIAARM COc1cc2c(cc1OC)[C@@H](OC(=O)Nc1ccc(C)cc1)C[C@@H]2[N-]C(=O)C(F)(F)F ZINC000001399331 568785946 /nfs/dbraw/zinc/78/59/46/568785946.db2.gz BUJVQXCEDZBTOO-HOTGVXAUSA-N -1 0 438.402 4.425 50 0 IIAARM O=C([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)Nc1cccc2ncccc21 ZINC000001418641 568791053 /nfs/dbraw/zinc/79/10/53/568791053.db2.gz PHLWEYKVYFXJCN-UHFFFAOYSA-N -1 0 429.807 4.417 50 0 IIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)sc2c1 ZINC000015730294 568813892 /nfs/dbraw/zinc/81/38/92/568813892.db2.gz ONEFEHGVSHSWSG-LLVKDONJSA-N -1 0 449.579 4.319 50 0 IIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccccc1OC ZINC000015731465 568814858 /nfs/dbraw/zinc/81/48/58/568814858.db2.gz BBDRJDGPZDGXLO-UHFFFAOYSA-N -1 0 432.885 4.120 50 0 IIAARM CCOC(=O)c1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[O-])cc1 ZINC000001508450 568835564 /nfs/dbraw/zinc/83/55/64/568835564.db2.gz GEDCRFYVPMGHKK-SNDHGLFQSA-N -1 0 441.483 4.410 50 0 IIAARM COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(CSc2ccccc2)cc(=O)c1O ZINC000085876456 568838167 /nfs/dbraw/zinc/83/81/67/568838167.db2.gz AASJSLHZQSWREO-GOSISDBHSA-N -1 0 440.473 4.031 50 0 biogenic IIAARM O=C(Cc1cccs1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862107 568848650 /nfs/dbraw/zinc/84/86/50/568848650.db2.gz GEBKTSCNJBQOSW-UHFFFAOYSA-N -1 0 429.548 4.340 50 0 IIAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc2s1 ZINC000015870405 568851730 /nfs/dbraw/zinc/85/17/30/568851730.db2.gz ZMXSXHOASAYHOW-UHFFFAOYSA-N -1 0 439.946 4.498 50 0 IIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](c2cccc(O)c2)CC(=O)O3)c1=O ZINC000524729203 568903936 /nfs/dbraw/zinc/90/39/36/568903936.db2.gz IQGCBSHSYIAFDQ-INIZCTEOSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001786873 568907566 /nfs/dbraw/zinc/90/75/66/568907566.db2.gz PMHSUTURLJFNOD-UHFFFAOYSA-N -1 0 435.347 4.405 50 0 IIAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1 ZINC000064590454 568935386 /nfs/dbraw/zinc/93/53/86/568935386.db2.gz URSOUFVHGIUFEP-UHFFFAOYSA-N -1 0 437.540 4.239 50 0 IIAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000036370439 569088555 /nfs/dbraw/zinc/08/85/55/569088555.db2.gz PQINHNWEILYLBU-WMLDXEAASA-N -1 0 448.976 4.077 50 0 IIAARM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nc3ccccc3n12 ZINC000065096440 569103560 /nfs/dbraw/zinc/10/35/60/569103560.db2.gz URTBALBWMPNESS-UHFFFAOYSA-N -1 0 449.467 4.318 50 0 IIAARM CCc1ccc(NC(=O)N2CCc3nc4cc(-c5ccccc5Cl)[n-]n4c(=O)c3C2)cc1 ZINC000065260910 569124135 /nfs/dbraw/zinc/12/41/35/569124135.db2.gz ZAERYZFYKYXVEE-UHFFFAOYSA-N -1 0 447.926 4.496 50 0 IIAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)ccc1[O-] ZINC000009996226 569151436 /nfs/dbraw/zinc/15/14/36/569151436.db2.gz MVYVICHKPVRPGT-UHFFFAOYSA-N -1 0 447.520 4.400 50 0 IIAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C\c1ccc(C)cc1)NC(=O)c1ccccc1 ZINC000013575700 569155924 /nfs/dbraw/zinc/15/59/24/569155924.db2.gz QALDWHLMHZKSPA-KGENOOAVSA-N -1 0 430.460 4.111 50 0 IIAARM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)n1 ZINC000017013976 569170731 /nfs/dbraw/zinc/17/07/31/569170731.db2.gz VUBPBTGLMRZMSW-UHFFFAOYSA-N -1 0 427.505 4.069 50 0 IIAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(F)cc1F ZINC000017156635 569175120 /nfs/dbraw/zinc/17/51/20/569175120.db2.gz SSBSMGNCPFKNGG-UHFFFAOYSA-N -1 0 430.480 4.213 50 0 IIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc1c2C ZINC000002103404 569179954 /nfs/dbraw/zinc/17/99/54/569179954.db2.gz ZZRPDWGAWRQBIP-NRFANRHFSA-N -1 0 447.487 4.209 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC4CCC(C(=O)[O-])CC4)c(C)c3cc2c1C ZINC000002157048 569187541 /nfs/dbraw/zinc/18/75/41/569187541.db2.gz WWQIGKDBOAPWLC-UHFFFAOYSA-N -1 0 425.481 4.014 50 0 biogenic IIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)ccc1O ZINC000066087912 569205670 /nfs/dbraw/zinc/20/56/70/569205670.db2.gz UQAZYOMJVYBBSD-CQSZACIVSA-N -1 0 446.381 4.383 50 0 IIAARM Cc1cc(C)cc(C[C@H](CC(=O)[O-])C(=O)Nc2ccccc2I)c1 ZINC000027496817 569215796 /nfs/dbraw/zinc/21/57/96/569215796.db2.gz BXSMGFAICUXEBF-OAHLLOKOSA-N -1 0 437.277 4.180 50 0 IIAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000002271063 569217109 /nfs/dbraw/zinc/21/71/09/569217109.db2.gz QKMWNDPTIYOPET-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM CCOc1ccccc1OC1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000095424325 569365897 /nfs/dbraw/zinc/36/58/97/569365897.db2.gz LDEANQWMHKYZDV-INIZCTEOSA-N -1 0 429.538 4.334 50 0 IIAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096113886 569382686 /nfs/dbraw/zinc/38/26/86/569382686.db2.gz ZIYQQMXOAFZWHZ-INIZCTEOSA-N -1 0 444.395 4.010 50 0 biogenic IIAARM Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@@H]2C(=O)c2ccc(F)cc2)cc1 ZINC000096318875 569393871 /nfs/dbraw/zinc/39/38/71/569393871.db2.gz IYGRDGXDYIRQGZ-RLFYNMQTSA-N -1 0 429.494 4.074 50 0 IIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000096361133 569397614 /nfs/dbraw/zinc/39/76/14/569397614.db2.gz QOKXMPGVKJVCQU-UHFFFAOYSA-N -1 0 438.431 4.098 50 0 IIAARM O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000096361049 569397622 /nfs/dbraw/zinc/39/76/22/569397622.db2.gz DBSDHIMLCOGGDA-UHFFFAOYSA-N -1 0 448.504 4.042 50 0 IIAARM Cc1cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000096361241 569397774 /nfs/dbraw/zinc/39/77/74/569397774.db2.gz LJOZWXCMAYIFRQ-UHFFFAOYSA-N -1 0 425.297 4.078 50 0 IIAARM O=C([O-])c1cc(Nc2nc3nonc3nc2Nc2cc(Cl)ccc2Cl)ccc1O ZINC000096581987 569401771 /nfs/dbraw/zinc/40/17/71/569401771.db2.gz DSPHQAQUMVCLNW-UHFFFAOYSA-N -1 0 433.211 4.211 50 0 IIAARM COc1cccc(CNC(=O)C2CCC(Cn3c(=O)c4sccc4[n-]c3=S)CC2)c1 ZINC000002925608 569425657 /nfs/dbraw/zinc/42/56/57/569425657.db2.gz FSNPFRCORMPJEN-UHFFFAOYSA-N -1 0 443.594 4.252 50 0 IIAARM O=C([O-])CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000003026320 569436261 /nfs/dbraw/zinc/43/62/61/569436261.db2.gz JSFFXIYQMQAJQA-UHFFFAOYSA-N -1 0 446.750 4.158 50 0 IIAARM O=C(NCc1ccccn1)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000003358582 569447788 /nfs/dbraw/zinc/44/77/88/569447788.db2.gz DWAFPWOZHVMCLA-UHFFFAOYSA-N -1 0 442.349 4.181 50 0 IIAARM CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000003452311 569451668 /nfs/dbraw/zinc/45/16/68/569451668.db2.gz IOLYEYJJMFWYCM-UHFFFAOYSA-N -1 0 443.912 4.352 50 0 IIAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)cc1Cl ZINC000003631975 569455334 /nfs/dbraw/zinc/45/53/34/569455334.db2.gz ATEWMRCMWKQFKU-CQSZACIVSA-N -1 0 445.928 4.152 50 0 IIAARM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032102476 569460163 /nfs/dbraw/zinc/46/01/63/569460163.db2.gz GSGDWCVAUIFAQB-IBGZPJMESA-N -1 0 426.929 4.379 50 0 IIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000008861464 569480013 /nfs/dbraw/zinc/48/00/13/569480013.db2.gz XKKRHUBAWXNQJO-UHFFFAOYSA-N -1 0 435.137 4.329 50 0 IIAARM CC(=O)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008918605 569486316 /nfs/dbraw/zinc/48/63/16/569486316.db2.gz WTJYADYSJSWCDT-JPYYHWIRSA-N -1 0 438.483 4.150 50 0 biogenic IIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000040115217 569489219 /nfs/dbraw/zinc/48/92/19/569489219.db2.gz WBSHFLCTKCYRPC-INIZCTEOSA-N -1 0 448.850 4.277 50 0 IIAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008974240 569492902 /nfs/dbraw/zinc/49/29/02/569492902.db2.gz CAQNQCRVOOFREX-QGZVFWFLSA-N -1 0 443.834 4.223 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1C(C)C ZINC000009096303 569501476 /nfs/dbraw/zinc/50/14/76/569501476.db2.gz VWNBRFBMODENNM-UHFFFAOYSA-N -1 0 428.510 4.142 50 0 IIAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(Br)cc2C[C@@H]1C ZINC000040450581 569506357 /nfs/dbraw/zinc/50/63/57/569506357.db2.gz NLJAUIHQQYBHNX-JTQLQIEISA-N -1 0 443.750 4.201 50 0 IIAARM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000009359209 569525727 /nfs/dbraw/zinc/52/57/27/569525727.db2.gz ILPVMVPQVSSWPV-ODLFYWEKSA-N -1 0 429.473 4.448 50 0 IIAARM CC(=O)Nc1ccccc1-c1nnc(SCn2c3ccccc3sc2=S)[n-]c1=O ZINC000009625994 569553570 /nfs/dbraw/zinc/55/35/70/569553570.db2.gz WORSNRUROSMSCR-UHFFFAOYSA-N -1 0 441.563 4.286 50 0 IIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000009645800 569556133 /nfs/dbraw/zinc/55/61/33/569556133.db2.gz AGINYDPRJCBAMD-UHFFFAOYSA-N -1 0 433.507 4.020 50 0 IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000009645917 569556226 /nfs/dbraw/zinc/55/62/26/569556226.db2.gz OXPQSRKGEGHJRW-UHFFFAOYSA-N -1 0 431.491 4.121 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)on1 ZINC000009688849 569560841 /nfs/dbraw/zinc/56/08/41/569560841.db2.gz URKVMEATXVXPIF-UHFFFAOYSA-N -1 0 426.903 4.342 50 0 IIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1 ZINC000009707427 569561521 /nfs/dbraw/zinc/56/15/21/569561521.db2.gz ZOEZKMWALKNJOB-UHFFFAOYSA-N -1 0 425.535 4.119 50 0 IIAARM Cc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1F ZINC000009828539 569569728 /nfs/dbraw/zinc/56/97/28/569569728.db2.gz RPCPUCSOVVVENJ-UHFFFAOYSA-N -1 0 439.921 4.226 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)cc1 ZINC000009828595 569569834 /nfs/dbraw/zinc/56/98/34/569569834.db2.gz QGHAZSDWZDIMJY-UHFFFAOYSA-N -1 0 435.958 4.395 50 0 IIAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)c12 ZINC000010166817 569578289 /nfs/dbraw/zinc/57/82/89/569578289.db2.gz VLYKNUVMIHHQCI-UHFFFAOYSA-N -1 0 442.397 4.482 50 0 IIAARM COc1cc(S(=O)(=O)[N-]c2ccc(-c3cn4cccc(C)c4n3)cc2)c(OC)cc1C ZINC000010274185 569580351 /nfs/dbraw/zinc/58/03/51/569580351.db2.gz RZISELOFCQWXDR-UHFFFAOYSA-N -1 0 437.521 4.436 50 0 IIAARM CCc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000022735371 569584869 /nfs/dbraw/zinc/58/48/69/569584869.db2.gz FIDZKBPALOEDIB-UHFFFAOYSA-N -1 0 435.958 4.341 50 0 IIAARM Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000046141305 569584953 /nfs/dbraw/zinc/58/49/53/569584953.db2.gz NJLAHZXUMCJJOJ-UHFFFAOYSA-N -1 0 446.941 4.931 50 0 IIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000000627096 132227935 /nfs/dbraw/zinc/22/79/35/132227935.db2.gz RNFJMPQXXDPAJR-FGZHOGPDSA-N -1 0 439.943 4.272 50 0 IIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCC1)c1ccc(Br)cc1 ZINC000000939289 132234859 /nfs/dbraw/zinc/23/48/59/132234859.db2.gz YOBJXNVOEFZZKZ-UHFFFAOYSA-N -1 0 447.358 4.183 50 0 IIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000008438863 132281918 /nfs/dbraw/zinc/28/19/18/132281918.db2.gz ZVKMUHWMDRJOIX-YADHBBJMSA-N -1 0 439.943 4.272 50 0 IIAARM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000008608651 132287583 /nfs/dbraw/zinc/28/75/83/132287583.db2.gz YEPSXRPIMPALPZ-UHFFFAOYSA-N -1 0 434.489 4.420 50 0 IIAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000022077334 520619091 /nfs/dbraw/zinc/61/90/91/520619091.db2.gz JAWWUTUWYBNTAG-RMKNXTFCSA-N -1 0 434.286 4.272 50 0 IIAARM CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017094936 521264738 /nfs/dbraw/zinc/26/47/38/521264738.db2.gz MUTNEVJPMSBXMB-DLBZAZTESA-N -1 0 426.538 4.462 50 0 IIAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000035479634 521375607 /nfs/dbraw/zinc/37/56/07/521375607.db2.gz YRIUVSGHWJDZTR-UHFFFAOYSA-N -1 0 439.537 4.224 50 0 IIAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)no1 ZINC000021702082 522153212 /nfs/dbraw/zinc/15/32/12/522153212.db2.gz OHYGWRXBKZURQB-UHFFFAOYSA-N -1 0 432.296 4.063 50 0 IIAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854477 522537628 /nfs/dbraw/zinc/53/76/28/522537628.db2.gz KKHUNRVAFHRXJR-INIZCTEOSA-N -1 0 440.400 4.093 50 0 IIAARM COCCCn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617294 523502035 /nfs/dbraw/zinc/50/20/35/523502035.db2.gz FPNGJFJWYZMFMQ-UHFFFAOYSA-N -1 0 440.308 4.163 50 0 IIAARM C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 ZINC000012782706 524877569 /nfs/dbraw/zinc/87/75/69/524877569.db2.gz MVYWFBXCZJGMRX-CHWSQXEVSA-N -1 0 443.352 4.044 50 0 IIAARM Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c(C)c1 ZINC000020744791 524965878 /nfs/dbraw/zinc/96/58/78/524965878.db2.gz VPUGGFRIDGXTEQ-OAQYLSRUSA-N -1 0 442.357 4.495 50 0 IIAARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)c1 ZINC000012521302 525275040 /nfs/dbraw/zinc/27/50/40/525275040.db2.gz AZVRYPNWLKXSIU-UHFFFAOYSA-N -1 0 433.576 4.183 50 0 IIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012783536 525464105 /nfs/dbraw/zinc/46/41/05/525464105.db2.gz PPAOWUCDTZFXQX-LJQANCHMSA-N -1 0 429.492 4.038 50 0 IIAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)n1C ZINC000021030440 525568195 /nfs/dbraw/zinc/56/81/95/525568195.db2.gz UQNQLNPOJBNJPJ-UHFFFAOYSA-N -1 0 431.602 4.438 50 0 IIAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c(C)c1 ZINC000035397518 525618659 /nfs/dbraw/zinc/61/86/59/525618659.db2.gz NGKNYGJIWQMOKC-UHFFFAOYSA-N -1 0 433.574 4.316 50 0 IIAARM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000020674901 525957429 /nfs/dbraw/zinc/95/74/29/525957429.db2.gz MOIRCEMRVCIUOE-UHFFFAOYSA-N -1 0 431.470 4.390 50 0 IIAARM [O-]c1c([C@H](c2ccco2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852612 526332221 /nfs/dbraw/zinc/33/22/21/526332221.db2.gz CZCFUVIQRXDNNA-IBGZPJMESA-N -1 0 447.520 4.261 50 0 IIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1 ZINC000021356954 526556983 /nfs/dbraw/zinc/55/69/83/526556983.db2.gz WMNQDYSDUMBGOO-UHFFFAOYSA-N -1 0 442.522 4.263 50 0 IIAARM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000021357156 527113769 /nfs/dbraw/zinc/11/37/69/527113769.db2.gz SYIMTUSZNKIXHO-UHFFFAOYSA-N -1 0 427.476 4.438 50 0 IIAARM O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1c(F)cccc1F ZINC000036722445 527248193 /nfs/dbraw/zinc/24/81/93/527248193.db2.gz AJGFDTQUJRXWTI-UHFFFAOYSA-N -1 0 438.887 4.404 50 0 IIAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1)c1ccco1 ZINC000022411611 527362758 /nfs/dbraw/zinc/36/27/58/527362758.db2.gz KHNAEDVPCQAQME-UHFFFAOYSA-N -1 0 427.301 4.157 50 0 IIAARM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000012614663 527478514 /nfs/dbraw/zinc/47/85/14/527478514.db2.gz WIHFLICTFMQKTQ-UHFFFAOYSA-N -1 0 446.519 4.464 50 0 IIAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000020533997 527560274 /nfs/dbraw/zinc/56/02/74/527560274.db2.gz LKOYZLIGMJJMQB-SIAIGSQXSA-N -1 0 445.474 4.475 50 0 IIAARM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000634096 555516102 /nfs/dbraw/zinc/51/61/02/555516102.db2.gz XWQIDMUCJHVSAB-UHFFFAOYSA-N -1 0 442.884 4.238 50 0 IIAARM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc2ccccc21 ZINC000000646703 555521257 /nfs/dbraw/zinc/52/12/57/555521257.db2.gz IYNBVYATUAGVBJ-UHFFFAOYSA-N -1 0 444.578 4.252 50 0 IIAARM O=S(=O)([N-]c1cccnc1)c1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000000792967 555557293 /nfs/dbraw/zinc/55/72/93/555557293.db2.gz RSEQEOYGTROPOA-UHFFFAOYSA-N -1 0 443.333 4.022 50 0 IIAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Cl)cc1I ZINC000001040974 555609711 /nfs/dbraw/zinc/60/97/11/555609711.db2.gz GGBIBRKBHXOMFG-UHFFFAOYSA-N -1 0 428.078 4.399 50 0 IIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](OC)c2ccccc2)cc1 ZINC000001151236 555656396 /nfs/dbraw/zinc/65/63/96/555656396.db2.gz UCWBLAVHQIKRPE-QFIPXVFZSA-N -1 0 440.521 4.131 50 0 IIAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001795993 555716591 /nfs/dbraw/zinc/71/65/91/555716591.db2.gz ODODBPHOBJENGR-LJQANCHMSA-N -1 0 431.897 4.107 50 0 IIAARM COc1ccc(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002505559 555784738 /nfs/dbraw/zinc/78/47/38/555784738.db2.gz MXXOXLANWBNXFB-GOSISDBHSA-N -1 0 431.488 4.477 50 0 IIAARM CC(C)(C)OC(=O)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560713 555787643 /nfs/dbraw/zinc/78/76/43/555787643.db2.gz FFLAQPKWVSSKJC-NRFANRHFSA-N -1 0 439.508 4.490 50 0 IIAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002981828 555872159 /nfs/dbraw/zinc/87/21/59/555872159.db2.gz XKMZJNDWCYVENE-ACSPXDACSA-N -1 0 428.916 4.035 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)no1 ZINC000003645001 555943372 /nfs/dbraw/zinc/94/33/72/555943372.db2.gz SRNYLSIDNAFNSF-UHFFFAOYSA-N -1 0 449.916 4.072 50 0 IIAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)n1 ZINC000002778683 556141033 /nfs/dbraw/zinc/14/10/33/556141033.db2.gz HKWISYHBZYZGHI-LBPRGKRZSA-N -1 0 447.992 4.171 50 0 IIAARM CCOC(=O)[C@@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)CC(C)C)C(F)(F)F ZINC000013756310 556300382 /nfs/dbraw/zinc/30/03/82/556300382.db2.gz MMUKUAVSOPTWAW-SFHVURJKSA-N -1 0 447.479 4.091 50 0 IIAARM CC(C)c1ccc(N2C(=O)c3ccc(S(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000009762160 556308208 /nfs/dbraw/zinc/30/82/08/556308208.db2.gz KXAXSINYRKBGCT-UHFFFAOYSA-N -1 0 449.484 4.142 50 0 IIAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013005272 556434792 /nfs/dbraw/zinc/43/47/92/556434792.db2.gz PEVZMNRHRBTIOF-QZTJIDSGSA-N -1 0 448.928 4.055 50 0 IIAARM COc1cccc(CN(C)c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000013039858 556445679 /nfs/dbraw/zinc/44/56/79/556445679.db2.gz UPBDOJKGROBIMV-UHFFFAOYSA-N -1 0 434.521 4.076 50 0 IIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000028813166 556461361 /nfs/dbraw/zinc/46/13/61/556461361.db2.gz GUDDOEDPFCZZGI-UHFFFAOYSA-N -1 0 438.299 4.255 50 0 IIAARM COc1ccc(NC(=O)c2ccc(F)cc2F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000013137112 556484095 /nfs/dbraw/zinc/48/40/95/556484095.db2.gz UHSCHHUPLXWCCW-UHFFFAOYSA-N -1 0 436.411 4.166 50 0 IIAARM CCOc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000015022536 556488239 /nfs/dbraw/zinc/48/82/39/556488239.db2.gz LWVYEWWEIPRHFH-YTFSRNRJSA-N -1 0 432.476 4.286 50 0 IIAARM O=C(NCCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274603 556558763 /nfs/dbraw/zinc/55/87/63/556558763.db2.gz NLKWOMAJBURXEB-UHFFFAOYSA-N -1 0 438.524 4.017 50 0 IIAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)c1C ZINC000016475336 556610401 /nfs/dbraw/zinc/61/04/01/556610401.db2.gz GOJBPPAWELCBQC-UHFFFAOYSA-N -1 0 429.929 4.083 50 0 IIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000017097000 556661033 /nfs/dbraw/zinc/66/10/33/556661033.db2.gz KUHQBCNOTVNTAD-LSDHHAIUSA-N -1 0 430.526 4.455 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017097094 556661105 /nfs/dbraw/zinc/66/11/05/556661105.db2.gz DMPXRHLEUQSPJJ-BMFZPTHFSA-N -1 0 430.570 4.151 50 0 IIAARM CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000002322624 556760769 /nfs/dbraw/zinc/76/07/69/556760769.db2.gz JTWNZKRNWVPZKZ-UHFFFAOYSA-N -1 0 426.288 4.158 50 0 IIAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000064591902 556825403 /nfs/dbraw/zinc/82/54/03/556825403.db2.gz BQZPMDCKARCXPC-UHFFFAOYSA-N -1 0 443.912 4.124 50 0 IIAARM O=S(=O)([N-]c1ccsc1-c1nc(C2CC2)no1)c1ccc(Br)s1 ZINC000206668921 556827438 /nfs/dbraw/zinc/82/74/38/556827438.db2.gz DKZVPJOXFWYGFE-UHFFFAOYSA-N -1 0 432.346 4.300 50 0 IIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000019632148 556832909 /nfs/dbraw/zinc/83/29/09/556832909.db2.gz WRSHTJITLLTYBC-DLBZAZTESA-N -1 0 440.565 4.386 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 ZINC000033173835 556883905 /nfs/dbraw/zinc/88/39/05/556883905.db2.gz UVHMMWFGLFZASJ-UHFFFAOYSA-N -1 0 447.460 4.283 50 0 IIAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000033253311 556893502 /nfs/dbraw/zinc/89/35/02/556893502.db2.gz GUQCGKNABTWUMV-UHFFFAOYSA-N -1 0 440.521 4.221 50 0 IIAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccc(Br)c3ccccc32)cc1OC ZINC000019852105 556930815 /nfs/dbraw/zinc/93/08/15/556930815.db2.gz SFKWQTBARJKQFN-UHFFFAOYSA-N -1 0 449.322 4.276 50 0 IIAARM Cc1nc2c(cc(N3CCOCC3)cc2C(=O)[O-])n1Cc1cccc(C(F)(F)F)c1C ZINC000077024226 556995608 /nfs/dbraw/zinc/99/56/08/556995608.db2.gz XTKLTGBKIDQGQL-UHFFFAOYSA-N -1 0 433.430 4.255 50 0 investigational IIAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000032946646 557033228 /nfs/dbraw/zinc/03/32/28/557033228.db2.gz FKYXQFFQQIBRCB-UHFFFAOYSA-N -1 0 447.510 4.407 50 0 IIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)c1 ZINC000033306723 557086108 /nfs/dbraw/zinc/08/61/08/557086108.db2.gz KTZQWUOCKJGABQ-UHFFFAOYSA-N -1 0 433.555 4.349 50 0 IIAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000033308014 557087062 /nfs/dbraw/zinc/08/70/62/557087062.db2.gz HDHDMKKGZOTEJP-UHFFFAOYSA-N -1 0 441.463 4.025 50 0 IIAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc(C)c1CC ZINC000000668515 557114355 /nfs/dbraw/zinc/11/43/55/557114355.db2.gz WJJYAHZGSVCJJM-UHFFFAOYSA-N -1 0 432.361 4.359 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nc(=O)c3sccc3[n-]1)CC2 ZINC000023956709 557128094 /nfs/dbraw/zinc/12/80/94/557128094.db2.gz PKALLSHWMQQRAP-JOCHJYFZSA-N -1 0 433.533 4.150 50 0 IIAARM O=C([O-])C1(OCC(F)(F)F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240987 557133072 /nfs/dbraw/zinc/13/30/72/557133072.db2.gz PMQGKDNFYOKYBE-UHFFFAOYSA-N -1 0 449.425 4.434 50 0 IIAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000024264414 557142421 /nfs/dbraw/zinc/14/24/21/557142421.db2.gz GCVDBQBOFISFBD-UHFFFAOYSA-N -1 0 440.443 4.388 50 0 IIAARM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024887243 557177033 /nfs/dbraw/zinc/17/70/33/557177033.db2.gz ZMYQNQGAOLSSBC-UHFFFAOYSA-N -1 0 436.468 4.269 50 0 IIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000011635162 557231324 /nfs/dbraw/zinc/23/13/24/557231324.db2.gz KUDJASFVZHNOCI-UHFFFAOYSA-N -1 0 435.137 4.411 50 0 IIAARM Cc1c(C(=O)[N-]n2cnc3scc(-c4ccccc4)c3c2=O)cnn1-c1ccccc1F ZINC000026260297 557238433 /nfs/dbraw/zinc/23/84/33/557238433.db2.gz AWNKPRQRDLAZES-UHFFFAOYSA-N -1 0 445.479 4.142 50 0 IIAARM CC(C)(C)OC(=O)NCCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000072271987 557267194 /nfs/dbraw/zinc/26/71/94/557267194.db2.gz BOALXHJEGOCECY-UHFFFAOYSA-N -1 0 444.912 4.183 50 0 IIAARM CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@H](CC(=O)[O-])CC3 ZINC000027646610 557268157 /nfs/dbraw/zinc/26/81/57/557268157.db2.gz NXFFJDQHYLNEJK-ZDUSSCGKSA-N -1 0 435.904 4.390 50 0 in-vivo IIAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722274 557294519 /nfs/dbraw/zinc/29/45/19/557294519.db2.gz RWQWTXMYQWXMOY-UHFFFAOYSA-N -1 0 439.830 4.145 50 0 IIAARM O=C(Nc1ccc(F)cc1Cl)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722310 557294749 /nfs/dbraw/zinc/29/47/49/557294749.db2.gz LBIAUKNZJYJHRO-UHFFFAOYSA-N -1 0 427.794 4.275 50 0 IIAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)N1CCc2ccccc2C1 ZINC000101831242 557300422 /nfs/dbraw/zinc/30/04/22/557300422.db2.gz FHEJTZVTYKRZMI-UHFFFAOYSA-N -1 0 444.560 4.446 50 0 IIAARM COCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126255 557324648 /nfs/dbraw/zinc/32/46/48/557324648.db2.gz APXDTBDKPTZLLT-UHFFFAOYSA-N -1 0 436.943 4.300 50 0 IIAARM Cc1oc(-c2ccccc2C)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102479174 557330001 /nfs/dbraw/zinc/33/00/01/557330001.db2.gz ZNLVYYMBRSIKBG-RBUKOAKNSA-N -1 0 435.871 4.105 50 0 IIAARM COc1ccc(OC)c(C2c3c(oc4ccc(C)cc4c3=O)C([O-])=C2c2nncs2)c1 ZINC000102484999 557331170 /nfs/dbraw/zinc/33/11/70/557331170.db2.gz HXVRPCULRVNSNC-PKOBYXMFSA-N -1 0 434.473 4.082 50 0 IIAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21 ZINC000102810955 557393121 /nfs/dbraw/zinc/39/31/21/557393121.db2.gz LDINSEHRYUWZRD-GOSISDBHSA-N -1 0 438.871 4.171 50 0 IIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)cc1Cl ZINC000102901448 557411461 /nfs/dbraw/zinc/41/14/61/557411461.db2.gz KQRFDKGKOVJSCA-SFHVURJKSA-N -1 0 426.835 4.220 50 0 IIAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn21 ZINC000102901465 557411708 /nfs/dbraw/zinc/41/17/08/557411708.db2.gz XALRLWPYDFWABV-GOSISDBHSA-N -1 0 438.871 4.171 50 0 IIAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000103019889 557416334 /nfs/dbraw/zinc/41/63/34/557416334.db2.gz MZONRPRPYPAYIM-GBESFXJTSA-N -1 0 439.265 4.093 50 0 IIAARM O=C(c1csc(S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)c1)N1CCCCCC1 ZINC000045961809 557555347 /nfs/dbraw/zinc/55/53/47/557555347.db2.gz LOPCMGGCJONEQH-UHFFFAOYSA-N -1 0 431.539 4.220 50 0 IIAARM CC(C)S(=O)(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000225398305 557718375 /nfs/dbraw/zinc/71/83/75/557718375.db2.gz VBXDPEZARCTTEP-UHFFFAOYSA-N -1 0 426.318 4.115 50 0 IIAARM O=C([O-])c1c(C(F)F)nc2n1CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000685945103 557839279 /nfs/dbraw/zinc/83/92/79/557839279.db2.gz UWHNUYPLGJIFCQ-UHFFFAOYSA-N -1 0 439.418 4.284 50 0 IIAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1 ZINC000000805476 562919265 /nfs/dbraw/zinc/91/92/65/562919265.db2.gz OFNULMHYNDEIAH-UHFFFAOYSA-N -1 0 430.869 4.091 50 0 IIAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002105376 562925827 /nfs/dbraw/zinc/92/58/27/562925827.db2.gz RYDDGFRUBWPPQT-LJQANCHMSA-N -1 0 439.508 4.337 50 0 biogenic IIAARM CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1 ZINC000006088624 562946139 /nfs/dbraw/zinc/94/61/39/562946139.db2.gz NEAUTGOPRMWTOH-UHFFFAOYSA-N -1 0 429.498 4.133 50 0 IIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000008605042 562956554 /nfs/dbraw/zinc/95/65/54/562956554.db2.gz DEFSLMYLQVTTGP-UHFFFAOYSA-N -1 0 430.551 4.459 50 0 aggregator IIAARM O=C([O-])c1ccccc1NC1=C(Cl)C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000000958079 568646074 /nfs/dbraw/zinc/64/60/74/568646074.db2.gz AKEWCOKPEFJBHQ-UHFFFAOYSA-N -1 0 445.180 4.493 50 0 IIAARM CC(C)(C)NC(=O)[N-]S(=O)(=O)c1cnccc1Sc1cccc(C(F)(F)F)c1 ZINC000000987842 568649066 /nfs/dbraw/zinc/64/90/66/568649066.db2.gz JIDGUNHJPYEHKO-UHFFFAOYSA-N -1 0 433.477 4.038 50 0 IIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000001099430 568659015 /nfs/dbraw/zinc/65/90/15/568659015.db2.gz IFLFLCXYCIZPSR-UHFFFAOYSA-N -1 0 427.482 4.149 50 0 IIAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CCCC)C(=O)[O-])cc2oc1=O ZINC000004046518 568759870 /nfs/dbraw/zinc/75/98/70/568759870.db2.gz CPRSRMRUJNBZRN-FQEVSTJZSA-N -1 0 431.529 4.363 50 0 biogenic IIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000015730522 568814185 /nfs/dbraw/zinc/81/41/85/568814185.db2.gz DJSKCTOREYDKMA-CYBMUJFWSA-N -1 0 436.555 4.108 50 0 IIAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)ccc2s1 ZINC000015870428 568851562 /nfs/dbraw/zinc/85/15/62/568851562.db2.gz NMFMLQVQJNCGOG-UHFFFAOYSA-N -1 0 446.554 4.103 50 0 IIAARM COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1O ZINC000006177094 568852474 /nfs/dbraw/zinc/85/24/74/568852474.db2.gz UOAUWVNTAFWUSV-UHFFFAOYSA-N -1 0 446.532 4.057 50 0 IIAARM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nn2)CC1 ZINC000015882203 568856844 /nfs/dbraw/zinc/85/68/44/568856844.db2.gz IHDXUHKGSVFSPH-UHFFFAOYSA-N -1 0 426.517 4.320 50 0 IIAARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1C[C@H](C)CC2 ZINC000015799696 568872329 /nfs/dbraw/zinc/87/23/29/568872329.db2.gz WMEVKHIFKJNYTR-RAIGVLPGSA-N -1 0 425.934 4.222 50 0 IIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](c2ccc(O)cc2)CC(=O)O3)c1=O ZINC000524730208 568903942 /nfs/dbraw/zinc/90/39/42/568903942.db2.gz ZTDPKPSBFYBSBL-MRXNPFEDSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(CCCc2ccccc2)C1=O ZINC000016534106 568920575 /nfs/dbraw/zinc/92/05/75/568920575.db2.gz QNIRQKMEXQNRRS-ZHZULCJRSA-N -1 0 436.899 4.065 50 0 IIAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000064590435 568935283 /nfs/dbraw/zinc/93/52/83/568935283.db2.gz KSUCQRKLTDKRIH-UHFFFAOYSA-N -1 0 447.510 4.340 50 0 IIAARM Cc1nn(C)c(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820371 568967022 /nfs/dbraw/zinc/96/70/22/568967022.db2.gz XJGXQZMBGXYIQL-UHFFFAOYSA-N -1 0 440.931 4.320 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000064820316 568967086 /nfs/dbraw/zinc/96/70/86/568967086.db2.gz AKRODBVOQRGNOW-UHFFFAOYSA-N -1 0 434.540 4.365 50 0 IIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820499 568967157 /nfs/dbraw/zinc/96/71/57/568967157.db2.gz CXXUZMXIUNYPAQ-UHFFFAOYSA-N -1 0 434.540 4.365 50 0 IIAARM Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1C ZINC000064843293 568971093 /nfs/dbraw/zinc/97/10/93/568971093.db2.gz XKNDAPVFLOYCLG-UHFFFAOYSA-N -1 0 439.537 4.142 50 0 IIAARM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc21 ZINC000064951945 568997117 /nfs/dbraw/zinc/99/71/17/568997117.db2.gz HDWOUIUIXKXNKS-UHFFFAOYSA-N -1 0 430.473 4.355 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(-c4ccccc4)o3)ccc2OC)cc1 ZINC000064988090 569082808 /nfs/dbraw/zinc/08/28/08/569082808.db2.gz IDWZIKYXCFJCPA-UHFFFAOYSA-N -1 0 437.477 4.222 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)C(=O)Nc3c2cccc3C)cc1 ZINC000036352750 569083940 /nfs/dbraw/zinc/08/39/40/569083940.db2.gz XCLMIEQJKVBJOA-HSZRJFAPSA-N -1 0 434.473 4.011 50 0 IIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccccc4Br)c([O-])c23)C1 ZINC000065150497 569111014 /nfs/dbraw/zinc/11/10/14/569111014.db2.gz CUSYDOACOWTKJJ-VIFPVBQESA-N -1 0 433.327 4.435 50 0 IIAARM Cc1cc(NC(=O)CC(C)(C)C)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1 ZINC000016847656 569164101 /nfs/dbraw/zinc/16/41/01/569164101.db2.gz DRSGDGIAGXSYAC-UHFFFAOYSA-N -1 0 433.516 4.007 50 0 IIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000017010264 569170231 /nfs/dbraw/zinc/17/02/31/569170231.db2.gz GSGVYHIEWCBPFZ-UHFFFAOYSA-N -1 0 440.521 4.299 50 0 IIAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002107613 569181341 /nfs/dbraw/zinc/18/13/41/569181341.db2.gz SLJZRWXCUCLUMO-IBGZPJMESA-N -1 0 427.497 4.465 50 0 biogenic IIAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCCC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002114536 569182324 /nfs/dbraw/zinc/18/23/24/569182324.db2.gz QDZCSMZBANYXJR-UHFFFAOYSA-N -1 0 433.460 4.347 50 0 biogenic IIAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002154725 569187456 /nfs/dbraw/zinc/18/74/56/569187456.db2.gz HDJDFLHUMMTXMI-LJQANCHMSA-N -1 0 439.508 4.419 50 0 biogenic IIAARM Cc1ccccc1-n1c(=O)c2c3c(sc2nc1SCC(=O)[O-])CO[C@H](C(C)C)C3 ZINC000002198533 569191528 /nfs/dbraw/zinc/19/15/28/569191528.db2.gz YAEWSICMIJRGFV-HNNXBMFYSA-N -1 0 430.551 4.030 50 0 IIAARM CCCCNC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973791 569213020 /nfs/dbraw/zinc/21/30/20/569213020.db2.gz SGJICFGKLLQPPU-UHFFFAOYSA-N -1 0 426.380 4.298 50 0 IIAARM C[C@@]12C[C@@](O)(C(=O)CSCCC(=O)[O-])C[C@H]1[C@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1CC2 ZINC000012656453 569304691 /nfs/dbraw/zinc/30/46/91/569304691.db2.gz WDCBJRUXJJRFIT-XJNNTHHYSA-N -1 0 434.598 4.026 50 0 biogenic IIAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000078994860 569321632 /nfs/dbraw/zinc/32/16/32/569321632.db2.gz GNEMCYPZBARSIA-UHFFFAOYSA-N -1 0 442.560 4.173 50 0 IIAARM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000079015068 569321991 /nfs/dbraw/zinc/32/19/91/569321991.db2.gz KRTOLAWAUMLBIB-CYBMUJFWSA-N -1 0 433.921 4.089 50 0 IIAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1cccc(Oc3ccccc3)c1)N(C)C2=O ZINC000020104743 569334305 /nfs/dbraw/zinc/33/43/05/569334305.db2.gz LKELVPKRBWDCJZ-PKTZIBPZSA-N -1 0 433.460 4.491 50 0 IIAARM COC(=O)C[C@@H](c1cccc(O)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116083 569383616 /nfs/dbraw/zinc/38/36/16/569383616.db2.gz NLNKKZJCBHXKDH-KRWDZBQOSA-N -1 0 432.428 4.272 50 0 biogenic IIAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000028248364 569409421 /nfs/dbraw/zinc/40/94/21/569409421.db2.gz UPWMEWOLRGDFIN-UHFFFAOYSA-N -1 0 425.919 4.108 50 0 IIAARM CCc1cccc(CC)c1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000003265252 569443372 /nfs/dbraw/zinc/44/33/72/569443372.db2.gz SYYCBZUIKAKULS-UHFFFAOYSA-N -1 0 441.582 4.211 50 0 IIAARM CCCn1c(SCC(=O)NCc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000003448059 569451456 /nfs/dbraw/zinc/45/14/56/569451456.db2.gz IDDQCAZGDAHPFP-UHFFFAOYSA-N -1 0 444.944 4.115 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000003865012 569456751 /nfs/dbraw/zinc/45/67/51/569456751.db2.gz DHSCNEJGIWITGY-LJQANCHMSA-N -1 0 445.313 4.390 50 0 IIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961475 569491097 /nfs/dbraw/zinc/49/10/97/569491097.db2.gz DKAIIUVBKDKSLS-UHFFFAOYSA-N -1 0 438.505 4.495 50 0 IIAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000008978952 569492990 /nfs/dbraw/zinc/49/29/90/569492990.db2.gz INQZULSWRXJBSJ-UHFFFAOYSA-N -1 0 449.985 4.187 50 0 IIAARM CCOC(=O)[C@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)CC(C)C)C(F)(F)F ZINC000008997062 569495892 /nfs/dbraw/zinc/49/58/92/569495892.db2.gz MMUKUAVSOPTWAW-GOSISDBHSA-N -1 0 447.479 4.091 50 0 IIAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(Cl)cc21 ZINC000040288339 569498432 /nfs/dbraw/zinc/49/84/32/569498432.db2.gz MAYYZCHBPAMBIK-HSZRJFAPSA-N -1 0 440.927 4.460 50 0 IIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)CC(=O)N3)cc1 ZINC000040313071 569498924 /nfs/dbraw/zinc/49/89/24/569498924.db2.gz ZFVBGBDGRFVTDJ-OAHLLOKOSA-N -1 0 438.436 4.031 50 0 biogenic IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)OCC(C)C)ccc1N1CCCC1 ZINC000009157191 569508388 /nfs/dbraw/zinc/50/83/88/569508388.db2.gz CUSUEJIBQMTXCY-UHFFFAOYSA-N -1 0 447.557 4.301 50 0 IIAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OCC)cc2OCC(C)(C)C1=O ZINC000009167737 569509077 /nfs/dbraw/zinc/50/90/77/569509077.db2.gz NDAMPUBPNWXWMZ-UHFFFAOYSA-N -1 0 446.569 4.356 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000009260477 569516931 /nfs/dbraw/zinc/51/69/31/569516931.db2.gz DVRWFBKOWWNOCO-GOSISDBHSA-N -1 0 430.888 4.290 50 0 IIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000009260474 569516969 /nfs/dbraw/zinc/51/69/69/569516969.db2.gz DVRWFBKOWWNOCO-SFHVURJKSA-N -1 0 430.888 4.290 50 0 IIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000009300216 569520578 /nfs/dbraw/zinc/52/05/78/569520578.db2.gz IDECTZBQRWWCJK-UHFFFAOYSA-N -1 0 430.913 4.316 50 0 IIAARM COc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009369744 569526866 /nfs/dbraw/zinc/52/68/66/569526866.db2.gz KMWSFRDRGKCNLL-HXUWFJFHSA-N -1 0 437.883 4.439 50 0 IIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009662888 569557223 /nfs/dbraw/zinc/55/72/23/569557223.db2.gz MRUBILRZQFNNGZ-UHFFFAOYSA-N -1 0 449.019 4.075 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c(OC)c1 ZINC000009685365 569560647 /nfs/dbraw/zinc/56/06/47/569560647.db2.gz JEZMAADUPUKXBI-UHFFFAOYSA-N -1 0 442.537 4.449 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)s2)on1 ZINC000009688966 569560878 /nfs/dbraw/zinc/56/08/78/569560878.db2.gz NZKBIFBHWJCWLH-UHFFFAOYSA-N -1 0 430.866 4.173 50 0 IIAARM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000008840822 132295902 /nfs/dbraw/zinc/29/59/02/132295902.db2.gz JJEJZIOKUSNSAR-UHFFFAOYSA-N -1 0 437.359 4.185 50 0 IIAARM Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])CC1 ZINC000009560570 132321342 /nfs/dbraw/zinc/32/13/42/132321342.db2.gz BKWILOGXOBSSPK-UHFFFAOYSA-N -1 0 446.334 4.373 50 0 IIAARM CC(C)[C@H]1Cc2c(sc3nc(S[C@H](C)C(=O)[O-])n(-c4ccccc4)c(=O)c32)CO1 ZINC000013802010 519828059 /nfs/dbraw/zinc/82/80/59/519828059.db2.gz QVMWHSJKNAZRJD-IUODEOHRSA-N -1 0 430.551 4.110 50 0 IIAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)[C@@H](C(=O)[O-])C1 ZINC000017098095 520840672 /nfs/dbraw/zinc/84/06/72/520840672.db2.gz LFSGXKDCVQJAGS-BPUTZDHNSA-N -1 0 432.586 4.384 50 0 IIAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022854472 522537004 /nfs/dbraw/zinc/53/70/04/522537004.db2.gz JUZGWZGXQGRKLA-INIZCTEOSA-N -1 0 440.400 4.093 50 0 IIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cc2[n-]c1=S ZINC000012554544 523496745 /nfs/dbraw/zinc/49/67/45/523496745.db2.gz SFEWWCWSJFTOQX-UHFFFAOYSA-N -1 0 441.553 4.351 50 0 IIAARM CC[C@H](C)NC(=O)CSc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112509 523975748 /nfs/dbraw/zinc/97/57/48/523975748.db2.gz XJBAXKOYWFFOOC-INIZCTEOSA-N -1 0 443.594 4.225 50 0 IIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000023399565 524880285 /nfs/dbraw/zinc/88/02/85/524880285.db2.gz XOVWLAVEGBMARQ-UHFFFAOYSA-N -1 0 427.482 4.149 50 0 IIAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)c1C ZINC000012775151 525673834 /nfs/dbraw/zinc/67/38/34/525673834.db2.gz JRIWDRWEAZPOFS-GASCZTMLSA-N -1 0 444.597 4.279 50 0 IIAARM [O-]c1c([C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852615 526331044 /nfs/dbraw/zinc/33/10/44/526331044.db2.gz CZCFUVIQRXDNNA-LJQANCHMSA-N -1 0 447.520 4.261 50 0 IIAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015372736 526770046 /nfs/dbraw/zinc/77/00/46/526770046.db2.gz JZEGCNCVTFNOMH-UHFFFAOYSA-N -1 0 436.320 4.119 50 0 IIAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852759 527205788 /nfs/dbraw/zinc/20/57/88/527205788.db2.gz WPGYBSOVSLMYEU-OAQYLSRUSA-N -1 0 433.581 4.020 50 0 IIAARM O=c1cc(CN2CCN(Cc3nc4ccccc4s3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000022917566 527478533 /nfs/dbraw/zinc/47/85/33/527478533.db2.gz WDQRMRSQCFBQSA-UHFFFAOYSA-N -1 0 441.940 4.080 50 0 IIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000020729122 527656452 /nfs/dbraw/zinc/65/64/52/527656452.db2.gz YZSCFLHMQSCRBK-LJQANCHMSA-N -1 0 432.293 4.017 50 0 IIAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccc(Br)cc2)C1 ZINC000000848169 555569864 /nfs/dbraw/zinc/56/98/64/555569864.db2.gz VGHQGRAXFADZFK-KRWDZBQOSA-N -1 0 431.286 4.000 50 0 IIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1Oc1ccccc1 ZINC000000917392 555583741 /nfs/dbraw/zinc/58/37/41/555583741.db2.gz XHOKLZASWGDNPO-UHFFFAOYSA-N -1 0 446.488 4.322 50 0 IIAARM Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1C(C)C ZINC000000946944 555588157 /nfs/dbraw/zinc/58/81/57/555588157.db2.gz IHOQGMOCOHJVRV-UHFFFAOYSA-N -1 0 445.566 4.393 50 0 IIAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000983157 555593965 /nfs/dbraw/zinc/59/39/65/555593965.db2.gz SRKBERTWTBSZCS-UHFFFAOYSA-N -1 0 443.388 4.374 50 0 IIAARM COc1ccc(-c2cc(-c3ccccc3)nc([N-]S(=O)(=O)c3ccc(N)cc3)n2)cc1 ZINC000001040941 555609630 /nfs/dbraw/zinc/60/96/30/555609630.db2.gz XIZCOFUFUSTGRL-UHFFFAOYSA-N -1 0 432.505 4.202 50 0 IIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001073051 555622272 /nfs/dbraw/zinc/62/22/72/555622272.db2.gz TUGNYSWWNSCOAW-UHFFFAOYSA-N -1 0 426.494 4.065 50 0 IIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1OC ZINC000001156331 555658984 /nfs/dbraw/zinc/65/89/84/555658984.db2.gz LKFLSHGITZKJMY-UHFFFAOYSA-N -1 0 436.493 4.191 50 0 IIAARM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000002178465 555752795 /nfs/dbraw/zinc/75/27/95/555752795.db2.gz VKNFXBHTWSKDPT-NNLQFVHNSA-N -1 0 447.896 4.437 50 0 IIAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569783 555787877 /nfs/dbraw/zinc/78/78/77/555787877.db2.gz KSYVYHUPZNONJS-HXUWFJFHSA-N -1 0 425.481 4.100 50 0 IIAARM CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002668299 555796868 /nfs/dbraw/zinc/79/68/68/555796868.db2.gz XPWROSDGRUUWAY-UHFFFAOYSA-N -1 0 431.539 4.375 50 0 IIAARM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000003875259 555950282 /nfs/dbraw/zinc/95/02/82/555950282.db2.gz ACWBQPMHZXGDFX-QFIPXVFZSA-N -1 0 435.528 4.162 50 0 fda IIAARM O=S(=O)([N-]c1cnn(Cc2cccc(Cl)c2)c1)c1ccc(Br)s1 ZINC000002804423 556143091 /nfs/dbraw/zinc/14/30/91/556143091.db2.gz PVIMFSZPIYCISG-UHFFFAOYSA-N -1 0 432.752 4.210 50 0 IIAARM O=C([O-])c1ccc(COc2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000008438963 556174869 /nfs/dbraw/zinc/17/48/69/556174869.db2.gz SWBUDXSZQYJUHF-STZFKDTASA-N -1 0 430.485 4.226 50 0 IIAARM CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000008453690 556184657 /nfs/dbraw/zinc/18/46/57/556184657.db2.gz UCJWPLQWDAAVMD-ATLSCFEFSA-N -1 0 443.521 4.025 50 0 IIAARM CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000008566774 556187531 /nfs/dbraw/zinc/18/75/31/556187531.db2.gz JNETYGOXVBMQSB-HMAPJEAMSA-N -1 0 448.475 4.422 50 0 IIAARM COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000009323346 556281360 /nfs/dbraw/zinc/28/13/60/556281360.db2.gz PXKHHQDPXMCDHA-DEDYPNTBSA-N -1 0 444.443 4.070 50 0 IIAARM CC(=O)Oc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(C(=O)[O-])c1 ZINC000013941658 556338580 /nfs/dbraw/zinc/33/85/80/556338580.db2.gz RXAFFADGUIXTDH-UHFFFAOYSA-N -1 0 428.293 4.489 50 0 IIAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(=O)[O-] ZINC000013943978 556341033 /nfs/dbraw/zinc/34/10/33/556341033.db2.gz ZZOQUAYHGFLEQG-MFOYZWKCSA-N -1 0 433.869 4.049 50 0 IIAARM C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000013949445 556344165 /nfs/dbraw/zinc/34/41/65/556344165.db2.gz CARMEOHGLANNCH-CHWSQXEVSA-N -1 0 449.019 4.154 50 0 IIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000013957525 556345528 /nfs/dbraw/zinc/34/55/28/556345528.db2.gz BOTKWZAJHYIGES-UHFFFAOYSA-N -1 0 426.856 4.219 50 0 IIAARM Cc1ccc(-c2nsc([N-]C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)n2)s1 ZINC000028291175 556449751 /nfs/dbraw/zinc/44/97/51/556449751.db2.gz VQELTGCSFGUDHF-UHFFFAOYSA-N -1 0 426.479 4.254 50 0 IIAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)c(F)cc1Br ZINC000072285719 556476534 /nfs/dbraw/zinc/47/65/34/556476534.db2.gz JHAYOZNXVSLCRI-UHFFFAOYSA-N -1 0 438.274 4.329 50 0 IIAARM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]C(=S)N=[S@@](C)(=O)c1ccccc1 ZINC000013466249 556507212 /nfs/dbraw/zinc/50/72/12/556507212.db2.gz JNPRESHTVBSTHN-NDEPHWFRSA-N -1 0 433.942 4.475 50 0 IIAARM N=C1S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000013520870 556512116 /nfs/dbraw/zinc/51/21/16/556512116.db2.gz HMHHYXVEIIMULW-ZSJQBNEXSA-N -1 0 434.429 4.429 50 0 IIAARM CCOc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C(=O)[O-])c2)cc1 ZINC000003669696 556578946 /nfs/dbraw/zinc/57/89/46/556578946.db2.gz ZVSZRSNEKOYBCK-VWLOTQADSA-N -1 0 447.487 4.479 50 0 IIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(C)cc3)[C@@H]2C(=O)[O-])cc1OC ZINC000109794956 556580267 /nfs/dbraw/zinc/58/02/67/556580267.db2.gz XKIJYWAZUACIJH-SQNIBIBYSA-N -1 0 443.546 4.442 50 0 IIAARM O=C(Nc1nccs1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000016641589 556619830 /nfs/dbraw/zinc/61/98/30/556619830.db2.gz JXUWGPYRXLIMQY-UHFFFAOYSA-N -1 0 444.357 4.020 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017096052 556659756 /nfs/dbraw/zinc/65/97/56/556659756.db2.gz GEIYOMMLXANXFA-ROUUACIJSA-N -1 0 428.554 4.378 50 0 IIAARM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000072313747 556694104 /nfs/dbraw/zinc/69/41/04/556694104.db2.gz CBXITTXXOSLTRH-UHFFFAOYSA-N -1 0 442.349 4.432 50 0 IIAARM Cc1cccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3cccs3)nc12 ZINC000033026303 556703299 /nfs/dbraw/zinc/70/32/99/556703299.db2.gz LQAVVMSFNDGTBJ-UHFFFAOYSA-N -1 0 443.575 4.158 50 0 IIAARM Cc1ccc(CNC(=O)c2c3c(sc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCC3)cc1 ZINC000019632095 556832848 /nfs/dbraw/zinc/83/28/48/556832848.db2.gz IZXOFHOHHWROPP-IAGOWNOFSA-N -1 0 440.565 4.305 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000019636265 556835302 /nfs/dbraw/zinc/83/53/02/556835302.db2.gz OCUXDLNCESLBAS-BMFZPTHFSA-N -1 0 442.537 4.001 50 0 IIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000019636214 556835307 /nfs/dbraw/zinc/83/53/07/556835307.db2.gz AEBPFNHYDOBBQN-HOTGVXAUSA-N -1 0 442.537 4.485 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000019641226 556837339 /nfs/dbraw/zinc/83/73/39/556837339.db2.gz MWEHTOCLEHOHPA-BMFZPTHFSA-N -1 0 444.553 4.225 50 0 IIAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078533 556853442 /nfs/dbraw/zinc/85/34/42/556853442.db2.gz VXVHZSJXZVGNLH-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260682 556897497 /nfs/dbraw/zinc/89/74/97/556897497.db2.gz PFPXSMZXJSWLAD-UHFFFAOYSA-N -1 0 432.524 4.388 50 0 IIAARM COc1ccc(C(=O)NC([N-]c2ccc(Cl)cn2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000019944250 556954205 /nfs/dbraw/zinc/95/42/05/556954205.db2.gz ZRXQUEXWWDDAMP-UHFFFAOYSA-N -1 0 427.732 4.406 50 0 IIAARM O=C([O-])c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 ZINC000033294756 557072574 /nfs/dbraw/zinc/07/25/74/557072574.db2.gz IIJGIVWYTYABOT-LFIBNONCSA-N -1 0 430.869 4.103 50 0 IIAARM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000033297964 557073918 /nfs/dbraw/zinc/07/39/18/557073918.db2.gz RQVNUESKCLNALR-KAMYIIQDSA-N -1 0 441.509 4.311 50 0 IIAARM Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000033308109 557087869 /nfs/dbraw/zinc/08/78/69/557087869.db2.gz JJAUAJAZRJDGJL-UHFFFAOYSA-N -1 0 437.500 4.194 50 0 IIAARM O=C(NCc1ccc(F)cc1F)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409622 557104621 /nfs/dbraw/zinc/10/46/21/557104621.db2.gz UKNQCXDPOKJZSM-UHFFFAOYSA-N -1 0 426.444 4.025 50 0 IIAARM O=S(=O)([N-]c1ccccc1-c1nnnn1C1CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000024843466 557173915 /nfs/dbraw/zinc/17/39/15/557173915.db2.gz AGJDWQZFBFKLEO-UHFFFAOYSA-N -1 0 443.838 4.148 50 0 IIAARM Cn1c(=O)c(C(=O)Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)c([O-])c2ccccc21 ZINC000100260772 557255971 /nfs/dbraw/zinc/25/59/71/557255971.db2.gz CBYSFVPQAACTBR-UHFFFAOYSA-N -1 0 435.549 4.493 50 0 IIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccccc2)CC(c2ccccc2)=N3)cc1 ZINC000100634341 557266986 /nfs/dbraw/zinc/26/69/86/557266986.db2.gz FPCLLDZYBDMZBB-QFIPXVFZSA-N -1 0 443.532 4.443 50 0 IIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000101444098 557292831 /nfs/dbraw/zinc/29/28/31/557292831.db2.gz GMPPCXXEGBMZGJ-CQSZACIVSA-N -1 0 438.896 4.197 50 0 IIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)[nH]c1=O ZINC000101766575 557295840 /nfs/dbraw/zinc/29/58/40/557295840.db2.gz KSXBDTZOJXGYIV-IBGZPJMESA-N -1 0 437.521 4.106 50 0 IIAARM COc1ccc(Cc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000033122897 557324713 /nfs/dbraw/zinc/32/47/13/557324713.db2.gz ZZCXPWUMPBZJAN-UHFFFAOYSA-N -1 0 427.507 4.198 50 0 IIAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000013575842 557348685 /nfs/dbraw/zinc/34/86/85/557348685.db2.gz RAFOFKSEQRHYHE-HCYZRJLASA-N -1 0 442.471 4.359 50 0 IIAARM CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2)c(=O)[n-]1 ZINC000011695378 557393159 /nfs/dbraw/zinc/39/31/59/557393159.db2.gz OFFKZPVVTAMTKU-UHFFFAOYSA-N -1 0 447.543 4.479 50 0 IIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)cc1Cl ZINC000102901441 557411355 /nfs/dbraw/zinc/41/13/55/557411355.db2.gz GWMRRTYPQSQROM-GOSISDBHSA-N -1 0 426.835 4.220 50 0 IIAARM CCCCNC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000100519241 557415264 /nfs/dbraw/zinc/41/52/64/557415264.db2.gz LMKJKZRQPQYEMZ-UHFFFAOYSA-N -1 0 436.537 4.127 50 0 IIAARM CCOC(=O)C(=C(O)CSc1nccn1-c1cc(C)ccc1C)c1nc(C)cs1 ZINC000103076363 557418320 /nfs/dbraw/zinc/41/83/20/557418320.db2.gz UTHAFIOTCBEYRO-SFHVURJKSA-N -1 0 429.567 4.262 50 0 IIAARM Cn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000100537037 557422176 /nfs/dbraw/zinc/42/21/76/557422176.db2.gz XJGCSIWHKDCZPK-UHFFFAOYSA-N -1 0 435.549 4.421 50 0 IIAARM COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1Cl ZINC000104571029 557456758 /nfs/dbraw/zinc/45/67/58/557456758.db2.gz UNLSCICPIVSTTE-UHFFFAOYSA-N -1 0 448.715 4.184 50 0 IIAARM O=C1[N-]C(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185486 557529303 /nfs/dbraw/zinc/52/93/03/557529303.db2.gz LCOURZMLVBPXSP-UTKZUKDTSA-N -1 0 429.398 4.340 50 0 IIAARM Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942030 557551771 /nfs/dbraw/zinc/55/17/71/557551771.db2.gz UVFGCPFJUXVRJD-QHCPKHFHSA-N -1 0 443.455 4.475 50 0 IIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O ZINC000040450598 557734358 /nfs/dbraw/zinc/73/43/58/557734358.db2.gz ULDKMZGXSNNYEC-LBPRGKRZSA-N -1 0 437.359 4.110 50 0 IIAARM CCOc1ccc(/N=C2\S/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C(=O)N2C)cc1 ZINC000096592458 557811219 /nfs/dbraw/zinc/81/12/19/557811219.db2.gz FYFUBNVLUADUSN-YVOCRCSPSA-N -1 0 435.505 4.358 50 0 IIAARM CCCCCNC(=O)c1coc([C@@H]2[C@H]3CC[C@H](O3)[C@@H]2Cc2ccccc2CCC(=O)[O-])n1 ZINC000003793091 562938055 /nfs/dbraw/zinc/93/80/55/562938055.db2.gz BBPRUNPUJIUXSE-DXKRWKNPSA-N -1 0 440.540 4.116 50 0 investigational IIAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1OC ZINC000003623260 568751774 /nfs/dbraw/zinc/75/17/74/568751774.db2.gz DJRFMIRSFUTHOL-INIZCTEOSA-N -1 0 436.302 4.192 50 0 IIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])c1C ZINC000046053611 568786825 /nfs/dbraw/zinc/78/68/25/568786825.db2.gz PAMDCTMMEKIICV-UHFFFAOYSA-N -1 0 438.503 4.288 50 0 IIAARM COc1ccc(S(=O)(=O)[N-]c2cnc(Br)cc2C)c(Cl)c1Cl ZINC000084114892 568793609 /nfs/dbraw/zinc/79/36/09/568793609.db2.gz VTYWCUQAZIDOGW-UHFFFAOYSA-N -1 0 426.119 4.269 50 0 IIAARM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc(N2CCCCC2)n1 ZINC000015671352 568802813 /nfs/dbraw/zinc/80/28/13/568802813.db2.gz DCKVXIQBVVZCMY-UHFFFAOYSA-N -1 0 441.532 4.459 50 0 IIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)cc1F)CC2 ZINC000015781902 568826187 /nfs/dbraw/zinc/82/61/87/568826187.db2.gz OLSDXNWUPMSEMF-SFHVURJKSA-N -1 0 434.439 4.368 50 0 IIAARM CCOC(=O)c1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[O-])cc1 ZINC000001508456 568835515 /nfs/dbraw/zinc/83/55/15/568835515.db2.gz GEDCRFYVPMGHKK-ZQHBMWIYSA-N -1 0 441.483 4.410 50 0 IIAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cccc(O)c2)cc1 ZINC000085879380 568838987 /nfs/dbraw/zinc/83/89/87/568838987.db2.gz AUTYPNIJXCTDCJ-KRWDZBQOSA-N -1 0 430.412 4.321 50 0 biogenic IIAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc2s1 ZINC000015870042 568851520 /nfs/dbraw/zinc/85/15/20/568851520.db2.gz DALLEBUUOSFXAR-UHFFFAOYSA-N -1 0 425.919 4.108 50 0 IIAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000016096994 568870289 /nfs/dbraw/zinc/87/02/89/568870289.db2.gz LXXRETZAPSIPKN-UHFFFAOYSA-N -1 0 430.869 4.122 50 0 IIAARM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000239038575 568910456 /nfs/dbraw/zinc/91/04/56/568910456.db2.gz DMPXRHLEUQSPJJ-FVQBIDKESA-N -1 0 430.570 4.151 50 0 IIAARM Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000064589331 568934810 /nfs/dbraw/zinc/93/48/10/568934810.db2.gz ZZHWLGHSVCVZRF-UHFFFAOYSA-N -1 0 447.510 4.407 50 0 IIAARM O=C([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccc1NC(=O)C1CCCC1 ZINC000064590447 568935274 /nfs/dbraw/zinc/93/52/74/568935274.db2.gz YVSJFBXNEOIWQO-UHFFFAOYSA-N -1 0 427.932 4.494 50 0 IIAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000064590235 568935279 /nfs/dbraw/zinc/93/52/79/568935279.db2.gz GVTOGPFMUSZQOK-UHFFFAOYSA-N -1 0 449.482 4.111 50 0 IIAARM CCOC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000027023302 568939295 /nfs/dbraw/zinc/93/92/95/568939295.db2.gz WOCRZXQXJPXBSG-UHFFFAOYSA-N -1 0 438.505 4.225 50 0 IIAARM CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)C1 ZINC000064820732 568967266 /nfs/dbraw/zinc/96/72/66/568967266.db2.gz PGRFLRQUUWQZFT-INIZCTEOSA-N -1 0 430.888 4.070 50 0 IIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1OC ZINC000064988085 569082792 /nfs/dbraw/zinc/08/27/92/569082792.db2.gz SHEAJVIFOONVOC-UHFFFAOYSA-N -1 0 437.477 4.222 50 0 IIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)C(=O)Nc3c2cccc3C)cc1 ZINC000036352748 569083929 /nfs/dbraw/zinc/08/39/29/569083929.db2.gz XCLMIEQJKVBJOA-QHCPKHFHSA-N -1 0 434.473 4.011 50 0 IIAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036359399 569085662 /nfs/dbraw/zinc/08/56/62/569085662.db2.gz RTQKDAOFGLFOSB-OAQYLSRUSA-N -1 0 433.464 4.023 50 0 IIAARM Cc1cc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)no1 ZINC000065010996 569088436 /nfs/dbraw/zinc/08/84/36/569088436.db2.gz KPPIZPWPLRTAIC-UHFFFAOYSA-N -1 0 445.541 4.471 50 0 IIAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c(OC)c1 ZINC000065031392 569091494 /nfs/dbraw/zinc/09/14/94/569091494.db2.gz UGUYLRASJZIJLP-UHFFFAOYSA-N -1 0 428.919 4.491 50 0 IIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)cc1 ZINC000065098027 569104462 /nfs/dbraw/zinc/10/44/62/569104462.db2.gz ADNCDKUZRRAUSX-UHFFFAOYSA-N -1 0 431.470 4.414 50 0 IIAARM CCO[C@]1([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000008765694 569145656 /nfs/dbraw/zinc/14/56/56/569145656.db2.gz WCAIFDMFWJBWMC-LJQANCHMSA-N -1 0 426.321 4.048 50 0 IIAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccc(C)c1)NC(=O)c1ccccc1 ZINC000013575785 569155915 /nfs/dbraw/zinc/15/59/15/569155915.db2.gz WMRDDVJDWPECFJ-STZFKDTASA-N -1 0 430.460 4.111 50 0 IIAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccc(F)cc1 ZINC000016739633 569160623 /nfs/dbraw/zinc/16/06/23/569160623.db2.gz NOEDGJCDBFBMOO-CKEIUWERSA-N -1 0 449.912 4.419 50 0 IIAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144183 569174614 /nfs/dbraw/zinc/17/46/14/569174614.db2.gz FLWIYWUOZRZPMI-WMFXKJRFSA-N -1 0 427.357 4.310 50 0 IIAARM O=C(Nc1ccc(C(F)(F)F)cc1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017155701 569174969 /nfs/dbraw/zinc/17/49/69/569174969.db2.gz JHEWQHOPAFKTLX-UHFFFAOYSA-N -1 0 439.390 4.293 50 0 IIAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002125746 569184027 /nfs/dbraw/zinc/18/40/27/569184027.db2.gz IZPTYXSZGXMMQY-GOSISDBHSA-N -1 0 427.497 4.366 50 0 biogenic IIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)ccc1O ZINC000066087911 569205663 /nfs/dbraw/zinc/20/56/63/569205663.db2.gz UQAZYOMJVYBBSD-AWEZNQCLSA-N -1 0 446.381 4.383 50 0 IIAARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1oc2ccccc2c(=O)c1O ZINC000253413096 569266007 /nfs/dbraw/zinc/26/60/07/569266007.db2.gz TTWHFAOHOZHZSM-INIZCTEOSA-N -1 0 434.400 4.152 50 0 biogenic IIAARM CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)C2CCCCC2)[C@H](c2cccc(F)c2)C1 ZINC000253433135 569269346 /nfs/dbraw/zinc/26/93/46/569269346.db2.gz SONLPHLDNHTJOP-QFIPXVFZSA-N -1 0 443.544 4.455 50 0 IIAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)COC(=O)CCC(=O)[O-] ZINC000253533785 569284074 /nfs/dbraw/zinc/28/40/74/569284074.db2.gz KLRNMIUKAXHHFS-FFQMDZFJSA-N -1 0 432.557 4.192 50 0 IIAARM CC[C@H](C)NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(OC)c1 ZINC000013349611 569313161 /nfs/dbraw/zinc/31/31/61/569313161.db2.gz QZKHVIGHUMGWBO-LBPRGKRZSA-N -1 0 434.543 4.026 50 0 IIAARM COCCc1ccc(S(=O)(=O)[N-]c2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000328593922 569317442 /nfs/dbraw/zinc/31/74/42/569317442.db2.gz AAHNENZTTTZOSU-UHFFFAOYSA-N -1 0 425.535 4.348 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)Nc4ccc(F)cc4)c3=O)c2c1 ZINC000020330482 569360866 /nfs/dbraw/zinc/36/08/66/569360866.db2.gz DQRKFVVHNBWRNH-UHFFFAOYSA-N -1 0 426.473 4.107 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N4CCCCCC4)c3=O)c2c1 ZINC000020331627 569360926 /nfs/dbraw/zinc/36/09/26/569360926.db2.gz AQIAIXYSQQQBKA-UHFFFAOYSA-N -1 0 428.558 4.122 50 0 IIAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000095453663 569368265 /nfs/dbraw/zinc/36/82/65/569368265.db2.gz KKMRJVNKULHPRH-UHFFFAOYSA-N -1 0 447.713 4.169 50 0 IIAARM Cc1c(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000095960557 569377136 /nfs/dbraw/zinc/37/71/36/569377136.db2.gz MFVQRJNADCSWCX-UHFFFAOYSA-N -1 0 435.549 4.444 50 0 IIAARM O=C(Nc1cccc(F)c1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097161442 569403217 /nfs/dbraw/zinc/40/32/17/569403217.db2.gz QAMMGKHYLWAIKR-UHFFFAOYSA-N -1 0 437.862 4.072 50 0 IIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCc4ccccc4)c3=O)c2c1 ZINC000002690215 569417024 /nfs/dbraw/zinc/41/70/24/569417024.db2.gz HWYRDJLGTQOKIY-UHFFFAOYSA-N -1 0 436.537 4.036 50 0 IIAARM COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4[n-]c3=S)cc2)cc1 ZINC000002973358 569433505 /nfs/dbraw/zinc/43/35/05/569433505.db2.gz FYURYIXWJHFTPA-UHFFFAOYSA-N -1 0 431.517 4.046 50 0 IIAARM CN(C)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003323873 569446095 /nfs/dbraw/zinc/44/60/95/569446095.db2.gz FSEPBUSEBOMPPD-UHFFFAOYSA-N -1 0 429.929 4.459 50 0 IIAARM O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630446 569455287 /nfs/dbraw/zinc/45/52/87/569455287.db2.gz ZCSNFWWEKNYFHS-UHFFFAOYSA-N -1 0 427.529 4.475 50 0 IIAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1 ZINC000003832741 569456590 /nfs/dbraw/zinc/45/65/90/569456590.db2.gz AWOSYOGXBBMRNB-UHFFFAOYSA-N -1 0 446.598 4.056 50 0 IIAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 ZINC000008840979 569478386 /nfs/dbraw/zinc/47/83/86/569478386.db2.gz QFWLPYWIPZTRLA-UHFFFAOYSA-N -1 0 430.570 4.384 50 0 IIAARM CC(C)c1ccc([C@H](NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)c2cccs2)cc1 ZINC000040047325 569483725 /nfs/dbraw/zinc/48/37/25/569483725.db2.gz KWQPRIVKNWBUSZ-IBGZPJMESA-N -1 0 449.623 4.148 50 0 IIAARM Cc1cc(C)nc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1 ZINC000040283848 569497891 /nfs/dbraw/zinc/49/78/91/569497891.db2.gz ARIPSCNBIBVUGB-JOCHJYFZSA-N -1 0 439.441 4.253 50 0 IIAARM COc1ccc(NC(=O)CCOc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009130297 569506019 /nfs/dbraw/zinc/50/60/19/569506019.db2.gz FOXOHSVHLORBGL-UHFFFAOYSA-N -1 0 444.484 4.043 50 0 IIAARM O=C(c1cc(-c2nc3ccsc3c(=O)[nH]2)n(Cc2ccccc2)c1)c1ccccc1[O-] ZINC000009458544 569536774 /nfs/dbraw/zinc/53/67/74/569536774.db2.gz FWJQAZTUHXWVNL-UHFFFAOYSA-N -1 0 427.485 4.438 50 0 IIAARM Cc1ncc2c(c1O)[C@H](c1c([O-])n(-c3ccccc3)c(=S)n(-c3ccccc3)c1=O)OC2 ZINC000009462632 569537303 /nfs/dbraw/zinc/53/73/03/569537303.db2.gz MDQRSKCLOFDCGY-OAQYLSRUSA-N -1 0 445.500 4.092 50 0 IIAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3c(C)cccc3CC)c2)on1 ZINC000009637749 569554896 /nfs/dbraw/zinc/55/48/96/569554896.db2.gz VOIKCORBZOFIJP-UHFFFAOYSA-N -1 0 444.509 4.199 50 0 IIAARM O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(C[C@@H]2CCCO2)c1)c1cc(Cl)ccc1[O-] ZINC000009645010 569556099 /nfs/dbraw/zinc/55/60/99/569556099.db2.gz AZTLCROGTDJPLC-INIZCTEOSA-N -1 0 449.894 4.161 50 0 IIAARM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009707428 569561552 /nfs/dbraw/zinc/56/15/52/569561552.db2.gz FCIBVSSSDDOXBG-UHFFFAOYSA-N -1 0 431.926 4.210 50 0 IIAARM O=c1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)[n-]c2ccsc21 ZINC000009874563 569572543 /nfs/dbraw/zinc/57/25/43/569572543.db2.gz MBGZTYKFBHBXHP-UHFFFAOYSA-N -1 0 444.973 4.111 50 0 IIAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(=O)c1-2 ZINC000010166784 569578326 /nfs/dbraw/zinc/57/83/26/569578326.db2.gz ARLAXEZYRLVQQJ-UHFFFAOYSA-N -1 0 430.361 4.432 50 0 IIAARM Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000046141325 569585001 /nfs/dbraw/zinc/58/50/01/569585001.db2.gz QOMWWQJOQRKIFL-UHFFFAOYSA-N -1 0 446.941 4.931 50 0 IIAARM CCCn1c(CCc2ccccc2[N-]S(=O)(=O)c2c(C)n[nH]c2C)nc2ccccc21 ZINC000033275368 569587390 /nfs/dbraw/zinc/58/73/90/569587390.db2.gz RYGIXESYEPAGTI-UHFFFAOYSA-N -1 0 437.569 4.372 50 0 IIAARM