smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1nnc(C)n1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000002793153 209914941 /nfs/dbraw/zinc/91/49/41/209914941.db2.gz VJZKCVCVJIKTAC-UHFFFAOYSA-N -1 3 329.385 2.737 50 0 EFAAHM CCCCc1nc(C)cc(NCCNC(=O)c2ccc([O-])cc2)n1 ZINC000243901593 535095285 /nfs/dbraw/zinc/09/52/85/535095285.db2.gz BCYMXFYNHQUSGZ-UHFFFAOYSA-N -1 3 328.416 2.675 50 0 EFAAHM [O-]c1ccccc1-c1nnc(SCCO)n1Cc1ccccc1 ZINC000020737750 202053766 /nfs/dbraw/zinc/05/37/66/202053766.db2.gz QYXDWJBFWAEEHW-UHFFFAOYSA-N -1 3 327.409 2.783 50 0 EFAAHM Cc1ccc(NC(=O)C=C2[N-]S(=O)(=O)c3ccccc3N2)cc1 ZINC000021117301 202061743 /nfs/dbraw/zinc/06/17/43/202061743.db2.gz BBKQYPFNXRYGHT-UHFFFAOYSA-N -1 3 329.381 2.537 50 0 EFAAHM Cc1cc([N-]C(=O)[C@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)on1 ZINC000038670941 202144089 /nfs/dbraw/zinc/14/40/89/202144089.db2.gz ZGIYYQSIZHJGAR-NSHDSACASA-N -1 3 342.330 2.546 50 0 EFAAHM O=S(=O)([N-]C[C@@H](O)c1cccc2ccccc21)c1ccccc1F ZINC000070636094 202336629 /nfs/dbraw/zinc/33/66/29/202336629.db2.gz CGZZWDBHJRTXFY-QGZVFWFLSA-N -1 3 345.395 2.991 50 0 EFAAHM Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1ccc2cc[nH]c2c1 ZINC000072325117 202363771 /nfs/dbraw/zinc/36/37/71/202363771.db2.gz AXFWRAGCSAIYLT-UHFFFAOYSA-N -1 3 348.362 2.531 50 0 biogenic EFAAHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl ZINC000075156931 202376125 /nfs/dbraw/zinc/37/61/25/202376125.db2.gz ZAEPYDRBVHBTFO-NXEZZACHSA-N -1 3 338.256 2.884 50 0 EFAAHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1cccs1 ZINC000075156062 202376264 /nfs/dbraw/zinc/37/62/64/202376264.db2.gz DIMVKNIMMRNAKN-AWEZNQCLSA-N -1 3 345.873 2.729 50 0 EFAAHM O=C([O-])C1(n2cccn2)CCN(Cc2ccc3ccccc3n2)CC1 ZINC000072432295 216225314 /nfs/dbraw/zinc/22/53/14/216225314.db2.gz ZIMGHYNQQSZGNW-UHFFFAOYSA-N -1 3 336.395 2.507 50 0 EFAAHM Cc1ccc(-c2cc(CNC(=O)c3ccc4n[n-]nc4c3)no2)cc1 ZINC000218948588 241354045 /nfs/dbraw/zinc/35/40/45/241354045.db2.gz RCBUNQLLTDGQHY-UHFFFAOYSA-N -1 3 333.351 2.851 50 0 EFAAHM CCN(CC)C(=O)C(=C([O-])c1ccc(Cl)cc1)n1ccccc1=O ZINC000004690641 201611970 /nfs/dbraw/zinc/61/19/70/201611970.db2.gz CATIBNOJSXVSNF-MRXNPFEDSA-N -1 3 346.814 2.794 50 0 EFAAHM CCn1ncc(C2=NO[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])C2)c1C ZINC000005053407 201635605 /nfs/dbraw/zinc/63/56/05/201635605.db2.gz XFBFZPPTSLPLHH-OAHLLOKOSA-N -1 3 348.790 2.702 50 0 EFAAHM CN1CCC(N(Cc2ccncc2)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000243893742 243030775 /nfs/dbraw/zinc/03/07/75/243030775.db2.gz ATNKCUOJYWOPGB-UHFFFAOYSA-N -1 3 339.439 2.876 50 0 EFAAHM CC(C)CCS(=O)(=O)c1ccccc1C(=O)[N-]c1nncs1 ZINC000006704388 201691176 /nfs/dbraw/zinc/69/11/76/201691176.db2.gz OAUDMJZJNKVMPG-UHFFFAOYSA-N -1 3 339.442 2.610 50 0 EFAAHM Cc1nc(C)c(CC(=O)N(C)CCc2cccc3ccccc32)c(=O)[n-]1 ZINC000069533265 203015740 /nfs/dbraw/zinc/01/57/40/203015740.db2.gz DIDVLUJEQYBKHT-UHFFFAOYSA-N -1 3 349.434 2.784 50 0 EFAAHM CCn1ncc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)c1C ZINC000071280578 203088511 /nfs/dbraw/zinc/08/85/11/203088511.db2.gz HFYPDJRBPLVLCK-GFCCVEGCSA-N -1 3 329.404 2.940 50 0 EFAAHM Cc1ccc(OCC(=O)N[C@@H]2C[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1C ZINC000253535459 244008705 /nfs/dbraw/zinc/00/87/05/244008705.db2.gz RXDXSUITCDXYKB-SHTZXODSSA-N -1 3 341.411 2.549 50 0 EFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000071755298 203108396 /nfs/dbraw/zinc/10/83/96/203108396.db2.gz HCVACCPVYZPPBO-UHFFFAOYSA-N -1 3 345.402 2.944 50 0 EFAAHM Cc1cccc2[nH]c(C3CCN(Cc4c[nH]nc4C(=O)[O-])CC3)nc21 ZINC000071762004 203110841 /nfs/dbraw/zinc/11/08/41/203110841.db2.gz OCZJDLHGPHBDMG-UHFFFAOYSA-N -1 3 339.399 2.672 50 0 EFAAHM Cc1cccc2nc(C3CCN(Cc4c[nH]nc4C(=O)[O-])CC3)[nH]c21 ZINC000071762004 203110844 /nfs/dbraw/zinc/11/08/44/203110844.db2.gz OCZJDLHGPHBDMG-UHFFFAOYSA-N -1 3 339.399 2.672 50 0 EFAAHM COc1ccc(F)c(CN2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000072151943 203172842 /nfs/dbraw/zinc/17/28/42/203172842.db2.gz XSJNBBJZLHACMK-CYBMUJFWSA-N -1 3 331.391 2.606 50 0 EFAAHM Cc1cc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)c2ccccc2n1 ZINC000072436057 203224695 /nfs/dbraw/zinc/22/46/95/203224695.db2.gz RPOUALRXGAIAEY-UHFFFAOYSA-N -1 3 336.395 2.820 50 0 EFAAHM Cc1c[nH]c(CN2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c(C)c1=O ZINC000072418052 203218669 /nfs/dbraw/zinc/21/86/69/203218669.db2.gz AXKUXNCRGGBBCU-INIZCTEOSA-N -1 3 340.423 2.755 50 0 EFAAHM Cc1nc(C2CCN(c3nccc(C4CCCC4)n3)CC2)cc(=O)[n-]1 ZINC000077320698 203380090 /nfs/dbraw/zinc/38/00/90/203380090.db2.gz HDZTWJXXPUSFSP-UHFFFAOYSA-N -1 3 339.443 2.910 50 0 EFAAHM Cc1c2cc(C)cc(Cl)c2oc1C(=O)NCc1cc(=O)[n-]cn1 ZINC000077386237 203384778 /nfs/dbraw/zinc/38/47/78/203384778.db2.gz DGDZMXGVNRYPFQ-UHFFFAOYSA-N -1 3 331.759 2.716 50 0 EFAAHM COc1cccc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)c1[O-] ZINC000077408337 203387307 /nfs/dbraw/zinc/38/73/07/203387307.db2.gz XVZYYDNVZZKCNX-UHFFFAOYSA-N -1 3 337.379 2.859 50 0 EFAAHM O=C([O-])c1cc(CN2CCCC[C@H]2CCn2ccnc2)ccc1O ZINC000077505000 203392486 /nfs/dbraw/zinc/39/24/86/203392486.db2.gz ZKYRCJKPHPSLBE-HNNXBMFYSA-N -1 3 329.400 2.732 50 0 EFAAHM Cc1ncc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c(=O)[n-]1 ZINC000091595563 203640969 /nfs/dbraw/zinc/64/09/69/203640969.db2.gz CBUKZFXZVRXBLO-UHFFFAOYSA-N -1 3 335.766 2.676 50 0 EFAAHM Cc1ncc(C(=O)N2CCCC[C@H]2CCc2cccs2)c(=O)[n-]1 ZINC000102018323 204030606 /nfs/dbraw/zinc/03/06/06/204030606.db2.gz WIKQTCWKACTLOH-ZDUSSCGKSA-N -1 3 331.441 2.767 50 0 EFAAHM Cc1ccc(SCCC(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc1 ZINC000004496515 205709627 /nfs/dbraw/zinc/70/96/27/205709627.db2.gz NOFOELKNHCBOAE-UHFFFAOYSA-N -1 3 340.404 3.000 50 0 EFAAHM O=C(Nc1ccc2c(c1)OCCO2)C(=S)[N-]Cc1ccccc1 ZINC000000135861 206207958 /nfs/dbraw/zinc/20/79/58/206207958.db2.gz CPGPLJIERWMVQS-UHFFFAOYSA-N -1 3 328.393 2.514 50 0 EFAAHM O=C(c1ccc([O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000352089 296222111 /nfs/dbraw/zinc/22/21/11/296222111.db2.gz HOUUJZSFWDPLLD-FZMZJTMJSA-N -1 3 328.290 2.645 50 0 EFAAHM Cc1cccn2c(=O)c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c([O-])nc12 ZINC000101063701 206268523 /nfs/dbraw/zinc/26/85/23/206268523.db2.gz CCNAIJUEKRKYKX-AAEUAGOBSA-N -1 3 343.427 2.653 50 0 EFAAHM O=C(c1ccncc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000052091 296272949 /nfs/dbraw/zinc/27/29/49/296272949.db2.gz HBARWKVUQFXPDM-SMDDNHRTSA-N -1 3 327.306 2.725 50 0 EFAAHM O=C(c1ccncc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000052092 296272997 /nfs/dbraw/zinc/27/29/97/296272997.db2.gz HBARWKVUQFXPDM-BXUZGUMPSA-N -1 3 327.306 2.725 50 0 EFAAHM O=C1[N-]C(=O)C(=Cc2ccc(I)cc2)S1 ZINC000012468022 284857159 /nfs/dbraw/zinc/85/71/59/284857159.db2.gz XEOCLGLXFYSZRK-YVMONPNESA-N -1 3 331.134 2.615 50 0 EFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000000352101 286284407 /nfs/dbraw/zinc/28/44/07/286284407.db2.gz RIFQOTPGDNQCTB-WFASDCNBSA-N -1 3 342.317 2.948 50 0 EFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000000352106 274106654 /nfs/dbraw/zinc/10/66/54/274106654.db2.gz RIFQOTPGDNQCTB-SWLSCSKDSA-N -1 3 342.317 2.948 50 0 EFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000000352109 274106700 /nfs/dbraw/zinc/10/67/00/274106700.db2.gz RIFQOTPGDNQCTB-IUODEOHRSA-N -1 3 342.317 2.948 50 0 EFAAHM [O-]c1ccccc1-c1nnc2c3cnn(-c4ccc(F)cc4)c3ncn21 ZINC000000542464 275061613 /nfs/dbraw/zinc/06/16/13/275061613.db2.gz DTVGSLRSJNOGRF-UHFFFAOYSA-N -1 3 346.325 2.975 50 0 EFAAHM O=C1NC[C@@H](c2ccc(F)cc2)Cc2[n-]c(-c3nccs3)nc21 ZINC000065505748 280291529 /nfs/dbraw/zinc/29/15/29/280291529.db2.gz VEURRCIWTGWMGH-JTQLQIEISA-N -1 3 328.372 2.742 50 0 EFAAHM O=C1NC[C@@H](c2ccc(F)cc2)Cc2nc(-c3nccs3)[n-]c21 ZINC000065505748 280291534 /nfs/dbraw/zinc/29/15/34/280291534.db2.gz VEURRCIWTGWMGH-JTQLQIEISA-N -1 3 328.372 2.742 50 0 EFAAHM COc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187073 295021057 /nfs/dbraw/zinc/02/10/57/295021057.db2.gz FJJFUMBHEOHXLC-PBHICJAKSA-N -1 3 338.363 2.570 50 0 biogenic EFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c(C)c1 ZINC000016994322 301200129 /nfs/dbraw/zinc/20/01/29/301200129.db2.gz SRJYONCEPDVKDO-UHFFFAOYSA-N -1 3 330.409 2.907 50 0 EFAAHM Cc1ccc(F)cc1[C@H](C(=O)[O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000095383107 301617569 /nfs/dbraw/zinc/61/75/69/301617569.db2.gz XSZVPSZUFLTOBD-QGZVFWFLSA-N -1 3 348.418 2.594 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCOC2)c(Cl)cc1F ZINC000528452326 316627217 /nfs/dbraw/zinc/62/72/17/316627217.db2.gz VWCKTOINARVPLO-LLVKDONJSA-N -1 3 335.828 2.883 50 0 EFAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000095473463 473211363 /nfs/dbraw/zinc/21/13/63/473211363.db2.gz KBWDOXMWDDETAV-AWEZNQCLSA-N -1 3 343.383 2.660 50 0 EFAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 ZINC000095478065 473213023 /nfs/dbraw/zinc/21/30/23/473213023.db2.gz NCSMSJLOQLSGMV-OAHLLOKOSA-N -1 3 345.424 2.952 50 0 EFAAHM Cc1cc(C)c(CNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)cn1 ZINC000095525310 473219927 /nfs/dbraw/zinc/21/99/27/473219927.db2.gz PJKYGXRLRGUQGW-UHFFFAOYSA-N -1 3 348.406 2.877 50 0 EFAAHM Cc1nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)cc(=O)[n-]1 ZINC000082107215 473288852 /nfs/dbraw/zinc/28/88/52/473288852.db2.gz XJNWXJALARJDOA-UHFFFAOYSA-N -1 3 348.406 2.646 50 0 EFAAHM O=S(=O)([N-]CC[C@@H](O)c1cc2ccccc2o1)c1ccccc1F ZINC000096097281 473295209 /nfs/dbraw/zinc/29/52/09/473295209.db2.gz QNQLRBAYAKXDBQ-CQSZACIVSA-N -1 3 349.383 2.974 50 0 EFAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000000081253 471320773 /nfs/dbraw/zinc/32/07/73/471320773.db2.gz SCJOUGZFPLQGSV-UHFFFAOYSA-N -1 3 325.773 2.912 50 0 EFAAHM COc1cccc(OC)c1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000000094439 471321884 /nfs/dbraw/zinc/32/18/84/471321884.db2.gz BCHHZEBPVXKQMW-UHFFFAOYSA-N -1 3 333.291 2.826 50 0 EFAAHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1cccc2nonc21 ZINC000000152648 471329388 /nfs/dbraw/zinc/32/93/88/471329388.db2.gz QXWYVYXPSCMLBN-CYBMUJFWSA-N -1 3 329.381 2.579 50 0 EFAAHM COc1ccc(C(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000000248862 471340232 /nfs/dbraw/zinc/34/02/32/471340232.db2.gz KHZVFHIBUUYCJT-CQSZACIVSA-N -1 3 330.306 2.804 50 0 EFAAHM CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000000268949 471341488 /nfs/dbraw/zinc/34/14/88/471341488.db2.gz HGBHGSFZKHEACC-UHFFFAOYSA-N -1 3 342.380 2.998 50 0 EFAAHM CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000000268949 471341491 /nfs/dbraw/zinc/34/14/91/471341491.db2.gz HGBHGSFZKHEACC-UHFFFAOYSA-N -1 3 342.380 2.998 50 0 EFAAHM CC(=O)Nc1ccc(C(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000000268949 471341493 /nfs/dbraw/zinc/34/14/93/471341493.db2.gz HGBHGSFZKHEACC-UHFFFAOYSA-N -1 3 342.380 2.998 50 0 EFAAHM Nc1ccc(Br)cc1[C@@H](NCC(=O)[O-])c1ccccc1 ZINC000000265656 471341552 /nfs/dbraw/zinc/34/15/52/471341552.db2.gz XKMGHXXIKZRCSP-HNNXBMFYSA-N -1 3 335.201 2.795 50 0 EFAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(OC)c2)N1 ZINC000000274674 471342425 /nfs/dbraw/zinc/34/24/25/471342425.db2.gz NXCLHBJMPKVSGI-CQSZACIVSA-N -1 3 330.306 2.948 50 0 EFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1 ZINC000000289832 471343516 /nfs/dbraw/zinc/34/35/16/471343516.db2.gz WOOVPNOEAOLADY-UHFFFAOYSA-N -1 3 332.425 2.632 50 0 EFAAHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccccc2)N1 ZINC000000305765 471345686 /nfs/dbraw/zinc/34/56/86/471345686.db2.gz VHTISJNQXFZBLM-HNNXBMFYSA-N -1 3 344.333 2.951 50 0 EFAAHM COc1ccc(CCn2c(=O)c3cccnc3[n-]c2=S)cc1OC ZINC000000424537 471357852 /nfs/dbraw/zinc/35/78/52/471357852.db2.gz MDLFDUPZBQADHQ-UHFFFAOYSA-N -1 3 343.408 2.714 50 0 EFAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000000479285 471365410 /nfs/dbraw/zinc/36/54/10/471365410.db2.gz HKGVTHVKLPBMDG-UHFFFAOYSA-N -1 3 349.408 2.602 50 0 EFAAHM CCOC(=O)N[C@]([N-]c1cccc(C)c1)(C(=O)OCC)C(F)(F)F ZINC000002272340 471404393 /nfs/dbraw/zinc/40/43/93/471404393.db2.gz LGYCBUTZILGESD-CQSZACIVSA-N -1 3 348.321 2.975 50 0 EFAAHM CCOC(=O)N(CC)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000002900747 471427525 /nfs/dbraw/zinc/42/75/25/471427525.db2.gz BRDLCWHSHREIJW-AWEZNQCLSA-N -1 3 349.305 2.592 50 0 EFAAHM COc1ccc(NC(=O)NCCOC(=O)N([O-])c2ccccc2)cc1 ZINC000003107241 471433750 /nfs/dbraw/zinc/43/37/50/471433750.db2.gz DMXOSEAUPJCQLL-UHFFFAOYSA-N -1 3 345.355 2.849 50 0 EFAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1ccc(C)cc1 ZINC000004317628 471463169 /nfs/dbraw/zinc/46/31/69/471463169.db2.gz PESMQXVPEZJQGG-UHFFFAOYSA-N -1 3 346.408 2.538 50 0 EFAAHM CCOc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000004660746 471470917 /nfs/dbraw/zinc/47/09/17/471470917.db2.gz QTWLWQLZDRVTPY-UHFFFAOYSA-N -1 3 334.397 2.709 50 0 EFAAHM C[C@@H]1SC([N-]C(=O)CSc2nc3ccccc3s2)=NC1=O ZINC000004806635 471475425 /nfs/dbraw/zinc/47/54/25/471475425.db2.gz JHPLXOMLOCQYCE-ZETCQYMHSA-N -1 3 337.451 2.523 50 0 EFAAHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000004839842 471476304 /nfs/dbraw/zinc/47/63/04/471476304.db2.gz VPXAQRKRYJQYJQ-UHFFFAOYSA-N -1 3 329.381 2.524 50 0 EFAAHM Cc1cc([O-])c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1C ZINC000004851069 471477040 /nfs/dbraw/zinc/47/70/40/471477040.db2.gz AUQZXOPRGKOTOU-UHFFFAOYSA-N -1 3 327.167 2.958 50 0 EFAAHM CC(C)Cn1c(=O)c(C(=O)Nc2cccnc2)c([O-])c2c1CCCC2 ZINC000006493097 471547472 /nfs/dbraw/zinc/54/74/72/471547472.db2.gz GMNXAEWTFQWQLT-UHFFFAOYSA-N -1 3 341.411 2.736 50 0 EFAAHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)cs1 ZINC000006681554 471559330 /nfs/dbraw/zinc/55/93/30/471559330.db2.gz XXPJKYMYCFZHQJ-UHFFFAOYSA-N -1 3 330.818 2.562 50 0 EFAAHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCOCC2)[n-]1 ZINC000008772771 471705380 /nfs/dbraw/zinc/70/53/80/471705380.db2.gz FSHQFBZJQKUFSY-UHFFFAOYSA-N -1 3 337.832 2.552 50 0 EFAAHM CCCCOc1ccc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1 ZINC000008994334 471707683 /nfs/dbraw/zinc/70/76/83/471707683.db2.gz YECIBXRUJSTHID-CQSZACIVSA-N -1 3 327.384 2.731 50 0 EFAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1 ZINC000009572767 471718405 /nfs/dbraw/zinc/71/84/05/471718405.db2.gz OVJGFMLGYXNPLV-UHFFFAOYSA-N -1 3 330.409 2.935 50 0 EFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000009572732 471718439 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/nfs/dbraw/zinc/04/20/55/216042055.db2.gz LOMYFXONWHZFNO-FXAWDEMLSA-N -1 3 325.408 2.848 50 0 EFAAHM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCc2ccccc2C1 ZINC000071279557 304092795 /nfs/dbraw/zinc/09/27/95/304092795.db2.gz QVGIXXIHBSJLJH-KRWDZBQOSA-N -1 3 338.407 2.774 50 0 EFAAHM CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cnc[n-]c1=O ZINC000072409338 216201578 /nfs/dbraw/zinc/20/15/78/216201578.db2.gz QGGBPZMDJQUBPF-UHFFFAOYSA-N -1 3 335.363 2.834 50 0 EFAAHM Cc1cnn(C2(C(=O)[O-])CCN(c3ccnc4ccccc43)CC2)c1 ZINC000072410728 216202812 /nfs/dbraw/zinc/20/28/12/216202812.db2.gz IXIZDWHVXZXLDV-UHFFFAOYSA-N -1 3 336.395 2.820 50 0 EFAAHM O=C(c1ncccc1[O-])N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072425972 216216209 /nfs/dbraw/zinc/21/62/09/216216209.db2.gz DMEJDPQIASLVDU-ZDUSSCGKSA-N -1 3 326.331 2.780 50 0 EFAAHM O=C([O-])C1(n2ccnc2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000072435945 216231130 /nfs/dbraw/zinc/23/11/30/216231130.db2.gz WQRYMNHTWHTYIE-UHFFFAOYSA-N -1 3 325.368 2.705 50 0 EFAAHM O=C(COc1ccccc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000000350761 283855392 /nfs/dbraw/zinc/85/53/92/283855392.db2.gz FCAOAUIDNHIKDJ-IUODEOHRSA-N -1 3 342.317 2.705 50 0 EFAAHM O=C(Nc1ccc2c(c1)OCCO2)c1n[n-]nc1-c1ccc(F)cc1 ZINC000206652062 241046897 /nfs/dbraw/zinc/04/68/97/241046897.db2.gz XOJPNNKNNCILLL-UHFFFAOYSA-N -1 3 340.314 2.634 50 0 EFAAHM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cccc(Cn2cccn2)c1 ZINC000215956245 241156546 /nfs/dbraw/zinc/15/65/46/241156546.db2.gz DTJWSJBVVGUYON-FQEVSTJZSA-N -1 3 347.418 2.943 50 0 EFAAHM O=c1[nH]c(=S)[nH]c([O-])c1[C@H]1NCCc2c3cc(Cl)ccc3[nH]c21 ZINC000020759757 212169383 /nfs/dbraw/zinc/16/93/83/212169383.db2.gz JUVBSRQOLFUIMA-GFCCVEGCSA-N -1 3 348.815 2.508 50 0 biogenic EFAAHM CN(C)CCCNC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[n-]1 ZINC000252510418 243841383 /nfs/dbraw/zinc/84/13/83/243841383.db2.gz ZJTHVAICZJIWDB-UHFFFAOYSA-N -1 3 342.226 2.929 50 0 EFAAHM Cc1nc([C@H]2C[C@@H](NC(=O)C3(c4ccccc4F)CC3)C2)cc(=O)[n-]1 ZINC000253535251 244009377 /nfs/dbraw/zinc/00/93/77/244009377.db2.gz JBMDHNGURMRLRO-BETUJISGSA-N -1 3 341.386 2.724 50 0 EFAAHM CC(C)=CCC[C@@]1(C)CCC(=O)N(CCc2cc(=O)[n-]c(C)n2)C1 ZINC000091518595 218016866 /nfs/dbraw/zinc/01/68/66/218016866.db2.gz PFTSQLMMOMBMNE-IBGZPJMESA-N -1 3 331.460 2.996 50 0 EFAAHM Cc1ncc(C(=O)N2CCC(CCCc3ccccc3)CC2)c(=O)[n-]1 ZINC000091551861 218021291 /nfs/dbraw/zinc/02/12/91/218021291.db2.gz ACPGKNFAXBYQPS-UHFFFAOYSA-N -1 3 339.439 2.953 50 0 EFAAHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000091574582 218023481 /nfs/dbraw/zinc/02/34/81/218023481.db2.gz UMQGOSSMWSRNRF-HXUWFJFHSA-N -1 3 344.455 2.999 50 0 EFAAHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000091818946 218070478 /nfs/dbraw/zinc/07/04/78/218070478.db2.gz CFRNRYIUHRWERD-KRWDZBQOSA-N -1 3 325.380 2.920 50 0 EFAAHM O=C([O-])c1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091725334 218055215 /nfs/dbraw/zinc/05/52/15/218055215.db2.gz YYBXRYWKVVDMJA-RHSMWYFYSA-N -1 3 342.439 2.608 50 0 EFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000011613820 211226603 /nfs/dbraw/zinc/22/66/03/211226603.db2.gz IQGWDPCSERYJKU-UHFFFAOYSA-N -1 3 329.780 2.966 50 0 EFAAHM COc1ccc(/C=C/CN2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)cc1 ZINC000091907312 218087062 /nfs/dbraw/zinc/08/70/62/218087062.db2.gz BHOUQDWBJGTCMZ-WTJLDUFHSA-N -1 3 338.407 2.904 50 0 EFAAHM COc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)c1 ZINC000010328418 211163712 /nfs/dbraw/zinc/16/37/12/211163712.db2.gz YJHYHYJOZZKLAJ-UHFFFAOYSA-N -1 3 334.397 2.627 50 0 EFAAHM Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1[N-]S(C)(=O)=O ZINC000010315159 211162404 /nfs/dbraw/zinc/16/24/04/211162404.db2.gz KPYLUHXLIIJXGX-UHFFFAOYSA-N -1 3 340.351 2.897 50 0 EFAAHM Cc1csc2nc([O-])c(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c(=O)n12 ZINC000010166697 211151363 /nfs/dbraw/zinc/15/13/63/211151363.db2.gz CNUSAZUMWFVHSP-MWLCHTKSSA-N -1 3 349.456 2.715 50 0 EFAAHM Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1[N-]S(C)(=O)=O ZINC000010112482 211149109 /nfs/dbraw/zinc/14/91/09/211149109.db2.gz MAUDKGNFDDDPQK-ZDUSSCGKSA-N -1 3 344.436 2.958 50 0 EFAAHM CCOc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000010112182 211148956 /nfs/dbraw/zinc/14/89/56/211148956.db2.gz ABMLHIBXKSUPBF-UHFFFAOYSA-N -1 3 334.397 2.709 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1C ZINC000010063820 211146167 /nfs/dbraw/zinc/14/61/67/211146167.db2.gz ACRDYZKZBQWYQU-UHFFFAOYSA-N -1 3 346.408 2.689 50 0 EFAAHM CCCCOc1ccc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1 ZINC000008994333 211030329 /nfs/dbraw/zinc/03/03/29/211030329.db2.gz YECIBXRUJSTHID-AWEZNQCLSA-N -1 3 327.384 2.731 50 0 EFAAHM O=C(c1ncccc1[O-])N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095390307 218321526 /nfs/dbraw/zinc/32/15/26/218321526.db2.gz WLRNZJMORZEQHN-IAGOWNOFSA-N -1 3 337.423 2.524 50 0 EFAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000008896403 211015246 /nfs/dbraw/zinc/01/52/46/211015246.db2.gz JIGZIJGZFMICGG-ZDUSSCGKSA-N -1 3 346.424 2.608 50 0 EFAAHM CN(C)c1ncc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095386022 218317612 /nfs/dbraw/zinc/31/76/12/218317612.db2.gz ZMHFKALJKYSMRP-KRWDZBQOSA-N -1 3 340.427 2.620 50 0 EFAAHM CCc1nnc([N-]C(=O)c2nnn(-c3ccccc3Cl)c2C)s1 ZINC000005033433 210370101 /nfs/dbraw/zinc/37/01/01/210370101.db2.gz YBHSADLIOONFRT-UHFFFAOYSA-N -1 3 348.819 2.895 50 0 EFAAHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1ccccc1 ZINC000004938663 210329592 /nfs/dbraw/zinc/32/95/92/210329592.db2.gz DJNGCDKPMUUOCB-UHFFFAOYSA-N -1 3 328.401 2.803 50 0 EFAAHM COc1cc(OC)c(CN2CCCC3(CCOCC3)C2)c(C(=O)[O-])c1 ZINC000097301233 219010645 /nfs/dbraw/zinc/01/06/45/219010645.db2.gz LRULTJNESUYCQY-UHFFFAOYSA-N -1 3 349.427 2.795 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C ZINC000004809460 210282377 /nfs/dbraw/zinc/28/23/77/210282377.db2.gz VPOXGHSEVIGQTR-UHFFFAOYSA-N -1 3 349.408 2.966 50 0 EFAAHM O=C([N-]c1nc(-c2ccco2)cs1)c1nnn(-c2ccccc2)n1 ZINC000075163253 257849314 /nfs/dbraw/zinc/84/93/14/257849314.db2.gz WYCINVZZOJUVTL-UHFFFAOYSA-N -1 3 338.352 2.631 50 0 EFAAHM O=c1cc([C@H]2CCCN(Cc3cncn3Cc3ccccc3)C2)nc[n-]1 ZINC000299759819 258077178 /nfs/dbraw/zinc/07/71/78/258077178.db2.gz NHMXWDPTOKYKTI-KRWDZBQOSA-N -1 3 349.438 2.807 50 0 EFAAHM O=c1/c(=C\c2cc(Cl)ccc2[O-])sc2nc3ccccc3n12 ZINC000005790666 296523337 /nfs/dbraw/zinc/52/33/37/296523337.db2.gz SSTHLODGCXCIFF-RIYZIHGNSA-N -1 3 328.780 2.816 50 0 EFAAHM CN(C(=O)c1c[n-]c2c(F)cccc2c1=O)C1Cc2ccccc2C1 ZINC000071761211 276736533 /nfs/dbraw/zinc/73/65/33/276736533.db2.gz AZOPSTRPGIDCGR-UHFFFAOYSA-N -1 3 336.366 2.907 50 0 EFAAHM Cc1nn(-c2ncccn2)c2c1C(=C([O-])c1ccccc1)CC(=O)N2 ZINC000020745190 279186578 /nfs/dbraw/zinc/18/65/78/279186578.db2.gz PLLNCUUJAJHAQI-ZDUSSCGKSA-N -1 3 333.351 2.929 50 0 EFAAHM O=C1[N-]C(=O)C(=Cc2cccc(I)c2)S1 ZINC000003027630 280278103 /nfs/dbraw/zinc/27/81/03/280278103.db2.gz RUENVEBOCXMDHS-VMPITWQZSA-N -1 3 331.134 2.615 50 0 EFAAHM Cn1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cn1 ZINC000071279483 302933641 /nfs/dbraw/zinc/93/36/41/302933641.db2.gz CVDDHLMBRNBGSO-CYBMUJFWSA-N -1 3 329.404 2.929 50 0 EFAAHM Cn1cc(CCC(=O)Nc2n[n-]c([C@@H]3CCCO3)n2)c2ccccc21 ZINC000095480367 473212774 /nfs/dbraw/zinc/21/27/74/473212774.db2.gz BDTBUXTUVJBCEU-HNNXBMFYSA-N -1 3 339.399 2.719 50 0 EFAAHM CN(C[C@H]1Cc2ccccc2CN1C)c1ccc(Cl)c(C(=O)[O-])n1 ZINC000095498724 473213309 /nfs/dbraw/zinc/21/33/09/473213309.db2.gz KIRXADPDSBSCFO-CQSZACIVSA-N -1 3 345.830 2.926 50 0 EFAAHM O=C([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000095522187 473219026 /nfs/dbraw/zinc/21/90/26/473219026.db2.gz HYVSAEOJWWHADE-UHFFFAOYSA-N -1 3 329.375 2.631 50 0 EFAAHM CSCc1ccc(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)o1 ZINC000082097990 473287655 /nfs/dbraw/zinc/28/76/55/473287655.db2.gz NGDOUHZPDQWKAP-LBPRGKRZSA-N -1 3 347.440 2.554 50 0 EFAAHM CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc2n[n-]nc21 ZINC000096137902 473311428 /nfs/dbraw/zinc/31/14/28/473311428.db2.gz YKGRRQXPRFNWOX-UHFFFAOYSA-N -1 3 341.375 2.662 50 0 EFAAHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]CCC2=CCCCC2)s1 ZINC000096191815 473332997 /nfs/dbraw/zinc/33/29/97/473332997.db2.gz OEZZYRNCCBODQX-UHFFFAOYSA-N -1 3 343.474 2.579 50 0 EFAAHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1F)c1cccc(F)c1 ZINC000096388384 473378184 /nfs/dbraw/zinc/37/81/84/473378184.db2.gz KVZVUJGZOQYSPI-CQSZACIVSA-N -1 3 327.352 2.631 50 0 EFAAHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cccc(F)c1)C(=O)C2 ZINC000000142861 471327918 /nfs/dbraw/zinc/32/79/18/471327918.db2.gz CGOQBYWIPREIDA-ZBEGNZNMSA-N -1 3 325.405 2.963 50 0 EFAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(OC)c2)N1 ZINC000000274672 471342696 /nfs/dbraw/zinc/34/26/96/471342696.db2.gz NXCLHBJMPKVSGI-AWEZNQCLSA-N -1 3 330.306 2.948 50 0 EFAAHM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000000296098 471343732 /nfs/dbraw/zinc/34/37/32/471343732.db2.gz QUKOPGBBHROFBN-UHFFFAOYSA-N -1 3 348.424 2.675 50 0 EFAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000000309857 471345841 /nfs/dbraw/zinc/34/58/41/471345841.db2.gz SVNGKUAICOOSND-UHFFFAOYSA-N -1 3 347.223 2.876 50 0 EFAAHM CCOC(=O)c1cc(I)c(-c2cc(C)no2)[n-]1 ZINC000000337798 471349794 /nfs/dbraw/zinc/34/97/94/471349794.db2.gz DJAMOWQYBRSLBG-UHFFFAOYSA-N -1 3 346.124 2.759 50 0 EFAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CC1 ZINC000000358511 471350954 /nfs/dbraw/zinc/35/09/54/471350954.db2.gz WIIINBMWWTZZJQ-UHFFFAOYSA-N -1 3 334.372 2.975 50 0 EFAAHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000000384646 471353797 /nfs/dbraw/zinc/35/37/97/471353797.db2.gz WTMXUCNUHFZIBI-UHFFFAOYSA-N -1 3 326.805 2.612 50 0 EFAAHM COc1ccc(-c2cc(C(=O)[N-]c3cc(C)on3)no2)cc1OC ZINC000000425638 471358901 /nfs/dbraw/zinc/35/89/01/471358901.db2.gz DWJXTZHTHXULTA-UHFFFAOYSA-N -1 3 329.312 2.908 50 0 EFAAHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1C ZINC000000563039 471371520 /nfs/dbraw/zinc/37/15/20/471371520.db2.gz UXNFNHSSDWQPNI-UHFFFAOYSA-N -1 3 349.408 2.899 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000000617041 471374459 /nfs/dbraw/zinc/37/44/59/471374459.db2.gz WCFAAADEPNISGQ-UHFFFAOYSA-N -1 3 335.381 2.657 50 0 EFAAHM O=C1[N-]C(=O)C(=Cc2ccccc2I)S1 ZINC000002891569 471427132 /nfs/dbraw/zinc/42/71/32/471427132.db2.gz LPHYTWZUFKIWES-VMPITWQZSA-N -1 3 331.134 2.615 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000001078224 471381812 /nfs/dbraw/zinc/38/18/12/471381812.db2.gz GRNXGVXJOPRDFZ-UHFFFAOYSA-N -1 3 326.324 2.589 50 0 EFAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Br ZINC000001164188 471382833 /nfs/dbraw/zinc/38/28/33/471382833.db2.gz KBQWLFBRUKHFRP-UHFFFAOYSA-N -1 3 345.152 2.585 50 0 EFAAHM O=S(=O)([N-]CCCn1ccnc1)c1cc(Cl)ccc1Cl ZINC000001794267 471397558 /nfs/dbraw/zinc/39/75/58/471397558.db2.gz PHMIKARVMAMENH-UHFFFAOYSA-N -1 3 334.228 2.559 50 0 EFAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1)(NC(C)=O)C(F)(F)F ZINC000002311388 471405038 /nfs/dbraw/zinc/40/50/38/471405038.db2.gz BDIYBZPIQHJJTQ-LBPRGKRZSA-N -1 3 338.713 2.710 50 0 EFAAHM CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)C(F)(F)F ZINC000002762796 471420161 /nfs/dbraw/zinc/42/01/61/471420161.db2.gz NXBLGYKVWKOGBD-UHFFFAOYSA-N -1 3 339.291 2.521 50 0 EFAAHM Cc1ccc(S(=O)(=O)Oc2cc3c(C)cc(=O)oc3cc2[O-])cc1 ZINC000002765786 471420286 /nfs/dbraw/zinc/42/02/86/471420286.db2.gz VCWQHAMYKPRLBC-UHFFFAOYSA-N -1 3 346.360 2.883 50 0 EFAAHM CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000002767499 471420608 /nfs/dbraw/zinc/42/06/08/471420608.db2.gz HQTITLXJFNUWMH-UHFFFAOYSA-N -1 3 334.228 2.688 50 0 EFAAHM CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)n1 ZINC000002760789 471420734 /nfs/dbraw/zinc/42/07/34/471420734.db2.gz KNGHZIYAOPDEIT-UHFFFAOYSA-N -1 3 348.255 2.997 50 0 EFAAHM O=C([O-])[C@@H]1Cc2c3cc(O)ccc3[nH]c2[C@@H](c2ccc(F)cc2)N1 ZINC000004081671 471458742 /nfs/dbraw/zinc/45/87/42/471458742.db2.gz SQBYUSFMJCOOHU-JKSUJKDBSA-N -1 3 326.327 2.701 50 0 biogenic EFAAHM O=C([O-])[C@@H]1Cc2c3cc(O)ccc3[nH]c2[C@H](c2ccc(F)cc2)N1 ZINC000004081674 471459133 /nfs/dbraw/zinc/45/91/33/471459133.db2.gz SQBYUSFMJCOOHU-HOTGVXAUSA-N -1 3 326.327 2.701 50 0 biogenic EFAAHM CCCn1c(=O)c(C(=O)Nc2cc(C)ccn2)c([O-])c2c1CCCC2 ZINC000006493377 471547318 /nfs/dbraw/zinc/54/73/18/471547318.db2.gz KRRMVJKBDOSBNM-UHFFFAOYSA-N -1 3 341.411 2.798 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1NC(C)=O ZINC000006703672 471562119 /nfs/dbraw/zinc/56/21/19/471562119.db2.gz OHHFYUWWUOECEQ-UHFFFAOYSA-N -1 3 334.397 2.845 50 0 EFAAHM Cn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccco1 ZINC000006727582 471563335 /nfs/dbraw/zinc/56/33/35/471563335.db2.gz OBWLEYFWODWKKX-UHFFFAOYSA-N -1 3 330.369 2.512 50 0 EFAAHM COc1cccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000006887412 471576494 /nfs/dbraw/zinc/57/64/94/471576494.db2.gz IRJKWWGJOBHMPK-UHFFFAOYSA-N -1 3 329.381 2.682 50 0 EFAAHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc2c(c1)OCCCO2 ZINC000007405071 471611871 /nfs/dbraw/zinc/61/18/71/471611871.db2.gz JHAPLAMXIDOZPT-UHFFFAOYSA-N -1 3 341.335 2.927 50 0 EFAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)NC3CCCC3)c([O-])c12 ZINC000010166786 471730870 /nfs/dbraw/zinc/73/08/70/471730870.db2.gz BJISRUFKBZJLNH-UHFFFAOYSA-N -1 3 336.395 2.695 50 0 EFAAHM O=c1/c(=C/c2cc(Cl)ccc2[O-])sc2nc3ccccc3n12 ZINC000013640720 471836320 /nfs/dbraw/zinc/83/63/20/471836320.db2.gz SSTHLODGCXCIFF-ZSOIEALJSA-N -1 3 328.780 2.816 50 0 EFAAHM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013670782 471836920 /nfs/dbraw/zinc/83/69/20/471836920.db2.gz CZMZVBOPGYWWDN-GFCCVEGCSA-N -1 3 330.409 2.650 50 0 EFAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1OC ZINC000013678644 471837758 /nfs/dbraw/zinc/83/77/58/471837758.db2.gz PRIGLLVQGAHKIP-UHFFFAOYSA-N -1 3 348.424 2.554 50 0 EFAAHM CCCc1nnc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)s1 ZINC000013718389 471841561 /nfs/dbraw/zinc/84/15/61/471841561.db2.gz CBFYAZVFJJBGJR-UHFFFAOYSA-N -1 3 332.360 2.724 50 0 EFAAHM CCCc1nnc(NC(=O)c2cnc3ccc(F)cc3c2[O-])s1 ZINC000013718389 471841565 /nfs/dbraw/zinc/84/15/65/471841565.db2.gz CBFYAZVFJJBGJR-UHFFFAOYSA-N -1 3 332.360 2.724 50 0 EFAAHM CCOc1cc(C=C2SC(=O)[N-]C2=O)c(Br)cc1O ZINC000013843876 471844420 /nfs/dbraw/zinc/84/44/20/471844420.db2.gz HWYWQMUEVCALIL-WMZJFQQLSA-N -1 3 344.186 2.877 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000017308127 471960749 /nfs/dbraw/zinc/96/07/49/471960749.db2.gz VOIGRSAWYHFLHO-UHFFFAOYSA-N -1 3 346.408 2.771 50 0 EFAAHM CCCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[n-]c1=O ZINC000018227871 471973724 /nfs/dbraw/zinc/97/37/24/471973724.db2.gz YQKGYAYFFMLYNE-UHFFFAOYSA-N -1 3 326.444 2.748 50 0 EFAAHM Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1CCC(C)C ZINC000018240626 471974426 /nfs/dbraw/zinc/97/44/26/471974426.db2.gz JTQLXTDOKXYNQL-UHFFFAOYSA-N -1 3 340.471 2.994 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]CC2(O)CCCC2)c(Cl)cc1Cl ZINC000042382691 472134783 /nfs/dbraw/zinc/13/47/83/472134783.db2.gz KHGVNIAJSYWZRQ-UHFFFAOYSA-N -1 3 338.256 2.885 50 0 EFAAHM COc1cccc([C@H]2CN(CC(=O)[O-])Cc3cccc(OC)c3O2)c1 ZINC000032919485 472480960 /nfs/dbraw/zinc/48/09/60/472480960.db2.gz ITFUWNGLFHZZSX-QGZVFWFLSA-N -1 3 343.379 2.724 50 0 EFAAHM O=S(=O)([N-]C[C@H](O)c1cccc2ccccc21)c1cccs1 ZINC000070761446 472510290 /nfs/dbraw/zinc/51/02/90/472510290.db2.gz FISDQJFPYPYHLF-HNNXBMFYSA-N -1 3 333.434 2.913 50 0 EFAAHM CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1ccc2n[n-]nc2c1 ZINC000077392377 472519600 /nfs/dbraw/zinc/51/96/00/472519600.db2.gz LRNITAKLFVTBNW-AWEZNQCLSA-N -1 3 335.411 2.556 50 0 EFAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101344380 472531914 /nfs/dbraw/zinc/53/19/14/472531914.db2.gz GFTMSRRRMHVJGP-DOTOQJQBSA-N -1 3 338.338 2.735 50 0 EFAAHM CCn1ncc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)c1C ZINC000071280576 472545528 /nfs/dbraw/zinc/54/55/28/472545528.db2.gz HFYPDJRBPLVLCK-LBPRGKRZSA-N -1 3 329.404 2.940 50 0 EFAAHM Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCC1 ZINC000071283228 472546039 /nfs/dbraw/zinc/54/60/39/472546039.db2.gz DVOZWAPIEQWSGW-LBPRGKRZSA-N -1 3 329.404 2.765 50 0 EFAAHM COc1cccc(C[C@]2(C(=O)[O-])CCCN(Cc3ccccn3)C2)c1 ZINC000071415718 472549881 /nfs/dbraw/zinc/54/98/81/472549881.db2.gz NFCWDSLJCIYSFY-HXUWFJFHSA-N -1 3 340.423 3.000 50 0 EFAAHM CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000091635814 472789004 /nfs/dbraw/zinc/78/90/04/472789004.db2.gz SJKJIBFISUGTQF-CQSZACIVSA-N -1 3 331.391 2.696 50 0 EFAAHM CCCCc1cc(=O)[n-]c(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000048140009 472819910 /nfs/dbraw/zinc/81/99/10/472819910.db2.gz RAYJDAHRKOJYRB-UHFFFAOYSA-N -1 3 340.471 2.527 50 0 EFAAHM CCCCc1nc(C2CCN(c3ccc(Cl)nn3)CC2)cc(=O)[n-]1 ZINC000063856746 472821149 /nfs/dbraw/zinc/82/11/49/472821149.db2.gz YLFXVNNIUGPXGT-UHFFFAOYSA-N -1 3 347.850 2.940 50 0 EFAAHM Cc1cc(C(F)(F)F)nc(-c2nc3c([n-]2)CC(C)(C)CNC3=O)n1 ZINC000065456556 472945876 /nfs/dbraw/zinc/94/58/76/472945876.db2.gz OFLTVPFKOXSTAE-UHFFFAOYSA-N -1 3 339.321 2.506 50 0 EFAAHM Cc1cc(C(F)(F)F)nc(-c2nc3c([n-]2)C(=O)NCC(C)(C)C3)n1 ZINC000065456556 472945880 /nfs/dbraw/zinc/94/58/80/472945880.db2.gz OFLTVPFKOXSTAE-UHFFFAOYSA-N -1 3 339.321 2.506 50 0 EFAAHM O=C([O-])[C@@H](c1ccc(O)cc1)N1CCCN(Cc2cccs2)CC1 ZINC000108044041 472997611 /nfs/dbraw/zinc/99/76/11/472997611.db2.gz GGCNKBABAHRKLL-QGZVFWFLSA-N -1 3 346.452 2.787 50 0 EFAAHM O=C([O-])c1ccc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)cc1 ZINC000095382420 473193577 /nfs/dbraw/zinc/19/35/77/473193577.db2.gz NAAVZPRDWIHTOG-KRWDZBQOSA-N -1 3 330.428 2.577 50 0 EFAAHM O=C([O-])COc1ccccc1CN1CCC(CCn2cccn2)CC1 ZINC000215938933 474140071 /nfs/dbraw/zinc/14/00/71/474140071.db2.gz NRCLENLGCFUPOY-UHFFFAOYSA-N -1 3 343.427 2.649 50 0 EFAAHM Cc1cc(=O)[n-]c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000220234169 474153403 /nfs/dbraw/zinc/15/34/03/474153403.db2.gz YSEJBORUWMDNDB-UHFFFAOYSA-N -1 3 347.418 2.647 50 0 EFAAHM O=S(=O)([N-]Cc1ccnc(-c2ccco2)c1)c1ccccc1F ZINC000225658209 474234278 /nfs/dbraw/zinc/23/42/78/474234278.db2.gz SQMJNCYRFYJHBV-UHFFFAOYSA-N -1 3 332.356 2.959 50 0 EFAAHM CCCCS(=O)(=O)[N-]C[C@@](O)(c1ccsc1)c1cccs1 ZINC000238821691 474541726 /nfs/dbraw/zinc/54/17/26/474541726.db2.gz CUIRWBSPNJJZFV-CQSZACIVSA-N -1 3 345.511 2.765 50 0 EFAAHM O=C(CCCC(=O)c1ccccc1)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1 ZINC000240499966 474550790 /nfs/dbraw/zinc/55/07/90/474550790.db2.gz NPSONVLDDJUVDB-SHTZXODSSA-N -1 3 339.395 2.598 50 0 EFAAHM COc1nnc(-c2ccc(C(=O)N[C@@H](C)c3csc(C)n3)cc2)[n-]1 ZINC000584900194 479276691 /nfs/dbraw/zinc/27/66/91/479276691.db2.gz WJUYUIBTFIHAIE-VIFPVBQESA-N -1 3 343.412 2.736 50 0 EFAAHM COc1nc(-c2ccc(C(=O)N[C@@H](C)c3csc(C)n3)cc2)n[n-]1 ZINC000584900194 479276694 /nfs/dbraw/zinc/27/66/94/479276694.db2.gz WJUYUIBTFIHAIE-VIFPVBQESA-N -1 3 343.412 2.736 50 0 EFAAHM COc1n[n-]c(-c2ccc(C(=O)N[C@@H](C)c3csc(C)n3)cc2)n1 ZINC000584900194 479276698 /nfs/dbraw/zinc/27/66/98/479276698.db2.gz WJUYUIBTFIHAIE-VIFPVBQESA-N -1 3 343.412 2.736 50 0 EFAAHM C[C@H]1CCc2c(sc3[n-]c(Cn4ccccc4=O)nc(=O)c23)C1 ZINC000585137184 479296891 /nfs/dbraw/zinc/29/68/91/479296891.db2.gz LMYIPMVAALDMGZ-JTQLQIEISA-N -1 3 327.409 2.732 50 0 EFAAHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)o2)cn1C ZINC000575610941 479453001 /nfs/dbraw/zinc/45/30/01/479453001.db2.gz RJBYTKVNPHNDAG-UHFFFAOYSA-N -1 3 349.412 2.875 50 0 EFAAHM O=S(=O)([N-]Cc1nccnc1-c1cccs1)c1cccs1 ZINC000575619896 479458726 /nfs/dbraw/zinc/45/87/26/479458726.db2.gz HLMIXJQQMMVJGH-UHFFFAOYSA-N -1 3 337.451 2.745 50 0 EFAAHM C[C@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2ccccc2)no1 ZINC000670434667 547489346 /nfs/dbraw/zinc/48/93/46/547489346.db2.gz SHOXLOYJXSIHOL-LBPRGKRZSA-N -1 3 335.429 2.907 50 0 EFAAHM CN(Cc1cnc(C(=O)[O-])cn1)C[C@@]1(c2ccccc2)CC1(C)C ZINC001772709727 1249297549 /nfs/dbraw/zinc/29/75/49/1249297549.db2.gz LNJSDJBMBKVNGR-LJQANCHMSA-N -1 3 325.412 2.975 50 0 EFAAHM Cc1ncc(CO)c(CNCc2coc(-c3ccccc3)n2)c1[O-] ZINC000952868719 1284888019 /nfs/dbraw/zinc/88/80/19/1284888019.db2.gz DGTMMQKOKWQBAF-UHFFFAOYSA-N -1 3 325.368 2.533 50 0 EFAAHM Cc1ncc(CO)c(CN(C)Cc2cc(-c3ccccc3)no2)c1[O-] ZINC000952968746 1284965729 /nfs/dbraw/zinc/96/57/29/1284965729.db2.gz PKVPJPVEKCPWCR-UHFFFAOYSA-N -1 3 339.395 2.875 50 0 EFAAHM CC1=CC2(CCN(Cc3ccccc3OCC(=O)[O-])CC2)OCC1 ZINC001704310325 1417904333 /nfs/dbraw/zinc/90/43/33/1417904333.db2.gz RLYWICBVJYBYTL-UHFFFAOYSA-N -1 3 331.412 2.851 50 0 EFAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCc3ccco3)c(=O)oc12 ZINC000004743413 210267414 /nfs/dbraw/zinc/26/74/14/210267414.db2.gz UTBCYQCHDKFZMH-UHFFFAOYSA-N -1 3 341.363 2.957 50 0 EFAAHM COc1cc(OC)c(CN(C)[C@H]2CCOC(C)(C)C2)c(C(=O)[O-])c1 ZINC000097632058 219042983 /nfs/dbraw/zinc/04/29/83/219042983.db2.gz HPFILXWMMYGNIS-LBPRGKRZSA-N -1 3 337.416 2.791 50 0 EFAAHM CCN(CC)C(=O)C(=C([O-])c1ccc(Cl)cc1)n1ccccc1=O ZINC000004690642 210249726 /nfs/dbraw/zinc/24/97/26/210249726.db2.gz CATIBNOJSXVSNF-INIZCTEOSA-N -1 3 346.814 2.794 50 0 EFAAHM CC1CCN(C(=O)C(=C([O-])c2ccccc2)n2ccccc2=O)CC1 ZINC000004592852 210229765 /nfs/dbraw/zinc/22/97/65/210229765.db2.gz WEFMVMBKWPVLNN-SFHVURJKSA-N -1 3 338.407 2.531 50 0 EFAAHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)c1 ZINC000049549938 214017744 /nfs/dbraw/zinc/01/77/44/214017744.db2.gz YBISGOIIMYIHIU-UHFFFAOYSA-N -1 3 339.326 2.878 50 0 EFAAHM CC(=O)Nc1cccc(NC(=O)c2cnc3c(F)cccc3c2[O-])c1 ZINC000049549938 214017746 /nfs/dbraw/zinc/01/77/46/214017746.db2.gz YBISGOIIMYIHIU-UHFFFAOYSA-N -1 3 339.326 2.878 50 0 EFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCc3ccccc3)c(=O)oc12 ZINC000004540656 210216560 /nfs/dbraw/zinc/21/65/60/210216560.db2.gz SFSKNARCGXIOQF-UHFFFAOYSA-N -1 3 337.375 2.974 50 0 EFAAHM O=c1[n-]c(SCc2ccc(Br)cc2)nc2[nH]ncc21 ZINC000004249763 210152851 /nfs/dbraw/zinc/15/28/51/210152851.db2.gz QWQPBDYVMBVONH-UHFFFAOYSA-N -1 3 337.202 2.701 50 0 EFAAHM CCc1ccccc1NC(=O)C[C@@H](NCc1ccccc1)C(=O)[O-] ZINC000003354667 210016532 /nfs/dbraw/zinc/01/65/32/210016532.db2.gz GUOSOPFOVFOUAQ-QGZVFWFLSA-N -1 3 326.396 2.821 50 0 EFAAHM Cc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)c1[O-] ZINC000067655101 215175750 /nfs/dbraw/zinc/17/57/50/215175750.db2.gz CSLKCJYPNHEGMN-HNNXBMFYSA-N -1 3 328.412 2.936 50 0 EFAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1ccncc1C)C2 ZINC000067695215 215187309 /nfs/dbraw/zinc/18/73/09/215187309.db2.gz VDEYFQJONDPGQK-OAHLLOKOSA-N -1 3 342.443 2.684 50 0 EFAAHM O=C(NCCCn1ncc2ccccc21)c1cc(=O)c2ccccc2[n-]1 ZINC000067804964 215216980 /nfs/dbraw/zinc/21/69/80/215216980.db2.gz HLLPDMGUZZFTPY-UHFFFAOYSA-N -1 3 346.390 2.698 50 0 EFAAHM CC(C)=CCN1CCN(Cc2ccc([O-])c(Cl)c2)C[C@H]1CCO ZINC000104346544 219376204 /nfs/dbraw/zinc/37/62/04/219376204.db2.gz HUZAIXDSOBGNOI-MRXNPFEDSA-N -1 3 338.879 2.880 50 0 EFAAHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000000836082 209692877 /nfs/dbraw/zinc/69/28/77/209692877.db2.gz BZLHCVHTKSCLPS-UHFFFAOYSA-N -1 3 326.805 2.612 50 0 EFAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N)cc2)ccc1Cl ZINC000036379543 213092086 /nfs/dbraw/zinc/09/20/86/213092086.db2.gz HUSQHYVRBXIJLR-UHFFFAOYSA-N -1 3 340.788 2.510 50 0 EFAAHM COCc1nnc([N-]C(=O)c2cc(C(C)C)nc3onc(C)c32)s1 ZINC000036365228 213090596 /nfs/dbraw/zinc/09/05/96/213090596.db2.gz TUALNQKKKNRRLW-UHFFFAOYSA-N -1 3 347.400 2.905 50 0 EFAAHM O=c1c2cn[n-]c2nc(SCc2cccnc2)n1-c1ccccc1 ZINC000036242332 213078997 /nfs/dbraw/zinc/07/89/97/213078997.db2.gz APJNACICRQSJIW-UHFFFAOYSA-N -1 3 335.392 2.796 50 0 EFAAHM O=c1c2c[n-]nc2nc(SCc2ccccn2)n1-c1ccccc1 ZINC000036242329 213079144 /nfs/dbraw/zinc/07/91/44/213079144.db2.gz ZITPUFIGNSPOMJ-UHFFFAOYSA-N -1 3 335.392 2.796 50 0 EFAAHM O=c1c2cn[n-]c2nc(SCc2ccccn2)n1-c1ccccc1 ZINC000036242329 213079147 /nfs/dbraw/zinc/07/91/47/213079147.db2.gz ZITPUFIGNSPOMJ-UHFFFAOYSA-N -1 3 335.392 2.796 50 0 EFAAHM O=c1c2c[n-]nc2nc(SCc2cccnc2)n1-c1ccccc1 ZINC000036242332 213078994 /nfs/dbraw/zinc/07/89/94/213078994.db2.gz APJNACICRQSJIW-UHFFFAOYSA-N -1 3 335.392 2.796 50 0 EFAAHM Cc1c[nH]c(CN2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)c(C)c1=O ZINC000072151146 216040037 /nfs/dbraw/zinc/04/00/37/216040037.db2.gz OXRCYRZDXPXVBU-MRXNPFEDSA-N -1 3 340.423 2.755 50 0 EFAAHM CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1ccco1 ZINC000000371617 209556530 /nfs/dbraw/zinc/55/65/30/209556530.db2.gz PGJFDUWEQITXQK-UHFFFAOYSA-N -1 3 337.353 2.865 50 0 EFAAHM O=C([O-])[C@@H]1c2nc[nH]c2CCN1Cc1cccc(C(F)(F)F)c1 ZINC000072407320 216198034 /nfs/dbraw/zinc/19/80/34/216198034.db2.gz BHWGXEAHBGINLO-ZDUSSCGKSA-N -1 3 325.290 2.613 50 0 EFAAHM O=C([O-])C1(n2cccn2)CCN(Cc2cc3ccccc3o2)CC1 ZINC000072447221 216238012 /nfs/dbraw/zinc/23/80/12/216238012.db2.gz HOQGVPXPWFAWFH-UHFFFAOYSA-N -1 3 325.368 2.705 50 0 EFAAHM O=C(C=Cc1ccccc1Cl)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000023398286 212375962 /nfs/dbraw/zinc/37/59/62/212375962.db2.gz RPCMAXJUJAJBIP-AATRIKPKSA-N -1 3 343.814 2.843 50 0 EFAAHM CC(=O)NCc1cc(=O)[n-]c(CC(c2ccccc2)c2ccccc2)n1 ZINC000023128752 212352405 /nfs/dbraw/zinc/35/24/05/212352405.db2.gz SEKFOFMBBQJSIR-UHFFFAOYSA-N -1 3 347.418 2.781 50 0 EFAAHM COc1ccc(CN(C)Cc2ccc3c(c2)CN(C)C3)cc1C(=O)[O-] ZINC000215186413 241112313 /nfs/dbraw/zinc/11/23/13/241112313.db2.gz AHMBZUQRERNPRP-UHFFFAOYSA-N -1 3 340.423 2.971 50 0 EFAAHM Cc1ncc(C(=O)NC[C@H](c2ccccc2)C2CCCC2)c(=O)[n-]1 ZINC000218797929 241345592 /nfs/dbraw/zinc/34/55/92/241345592.db2.gz PVNGIXBMJNLYHE-MRXNPFEDSA-N -1 3 325.412 2.782 50 0 EFAAHM Cc1cc(F)ccc1CC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000222933722 241579914 /nfs/dbraw/zinc/57/99/14/241579914.db2.gz ILVDKXLGKHGWBI-HNNXBMFYSA-N -1 3 343.402 2.887 50 0 EFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nnc2ccccn21 ZINC000020715305 212163862 /nfs/dbraw/zinc/16/38/62/212163862.db2.gz MDOHKTVZVFDSHW-HNNXBMFYSA-N -1 3 348.403 2.544 50 0 EFAAHM O=C(NCCc1ccccn1)c1c[n-]c2c(Cl)cccc2c1=O ZINC000079482792 217231336 /nfs/dbraw/zinc/23/13/36/217231336.db2.gz RVNPJAGBJCLIKE-UHFFFAOYSA-N -1 3 327.771 2.549 50 0 EFAAHM CC(C)=CCC[C@]1(C)CCC(=O)N(CCNc2nc(C)cc(=O)[n-]2)C1 ZINC000091304059 217991278 /nfs/dbraw/zinc/99/12/78/217991278.db2.gz MOSIPHQOMKYRST-LJQANCHMSA-N -1 3 346.475 2.865 50 0 EFAAHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@@H](Cc2cccc(CO)c2)C1 ZINC000091417016 218002900 /nfs/dbraw/zinc/00/29/00/218002900.db2.gz JHGUNXCLXYPCTO-INIZCTEOSA-N -1 3 343.398 2.657 50 0 EFAAHM COC(=O)c1c2c(sc1[N-]C(=O)c1snnc1C)CCCC2 ZINC000011913960 211268512 /nfs/dbraw/zinc/26/85/12/211268512.db2.gz YODZLFBJDXROFU-UHFFFAOYSA-N -1 3 337.426 2.826 50 0 EFAAHM COc1ccc(CN2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000091468854 218010614 /nfs/dbraw/zinc/01/06/14/218010614.db2.gz GSIWZSBPHDSHRN-JKSUJKDBSA-N -1 3 330.359 2.530 50 0 EFAAHM COCC[C@]1(C(=O)[O-])CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000091536774 218018717 /nfs/dbraw/zinc/01/87/17/218018717.db2.gz XUFWILMBGRNEJM-LJQANCHMSA-N -1 3 349.475 2.846 50 0 EFAAHM COCC[C@]1(C(=O)[O-])CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000091536774 218018720 /nfs/dbraw/zinc/01/87/20/218018720.db2.gz XUFWILMBGRNEJM-LJQANCHMSA-N -1 3 349.475 2.846 50 0 EFAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccco1 ZINC000010334618 211165996 /nfs/dbraw/zinc/16/59/96/211165996.db2.gz QSVZZWMQZOLWGG-VIFPVBQESA-N -1 3 334.850 2.576 50 0 EFAAHM O=C(Nc1cccc(Cl)c1)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009668949 211113712 /nfs/dbraw/zinc/11/37/12/211113712.db2.gz YEUQSBGGBGOXIJ-AWEZNQCLSA-N -1 3 342.786 2.635 50 0 EFAAHM Cc1cccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1[O-] ZINC000094080161 218263493 /nfs/dbraw/zinc/26/34/93/218263493.db2.gz PTNOVIQKSIOUNF-MRXNPFEDSA-N -1 3 326.396 2.917 50 0 EFAAHM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2c([nH]c1=O)CCCC2 ZINC000009301635 211063683 /nfs/dbraw/zinc/06/36/83/211063683.db2.gz GSWRKVADVNNBRO-UHFFFAOYSA-N -1 3 348.786 2.874 50 0 EFAAHM CC(C)(C)/C=C/[C@@H](C(=O)[O-])N1CCCN(Cc2ccccn2)CC1 ZINC000095378033 218310881 /nfs/dbraw/zinc/31/08/81/218310881.db2.gz AFQJOSSXNIFBHH-IJDCCNJMSA-N -1 3 331.460 2.645 50 0 EFAAHM O=C([O-])[C@H](c1ccc(O)cc1)N1CCCN(Cc2cccs2)CC1 ZINC000095388450 218321002 /nfs/dbraw/zinc/32/10/02/218321002.db2.gz GGCNKBABAHRKLL-KRWDZBQOSA-N -1 3 346.452 2.787 50 0 EFAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)N[C@H](C)c3ccccc3)co2)no1 ZINC000090583000 291783547 /nfs/dbraw/zinc/78/35/47/291783547.db2.gz VLLLISSXSCSHLD-LLVKDONJSA-N -1 3 340.339 2.714 50 0 EFAAHM O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-])N1CCNCC1 ZINC000005059349 210378827 /nfs/dbraw/zinc/37/88/27/210378827.db2.gz LQFHSRORASPQJN-INIZCTEOSA-N -1 3 344.842 2.999 50 0 EFAAHM CCn1ncc(C2=NO[C@H](C(=O)Nc3cc(Cl)ccc3[O-])C2)c1C ZINC000005053404 210375930 /nfs/dbraw/zinc/37/59/30/210375930.db2.gz XFBFZPPTSLPLHH-HNNXBMFYSA-N -1 3 348.790 2.702 50 0 EFAAHM CCn1cc(C2=NO[C@H](C(=O)Nc3cc(Cl)ccc3[O-])C2)c(C)n1 ZINC000005053479 210375805 /nfs/dbraw/zinc/37/58/05/210375805.db2.gz DJILEXBIEPRRHC-HNNXBMFYSA-N -1 3 348.790 2.702 50 0 EFAAHM CCn1cc(C2=NO[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])C2)c(C)n1 ZINC000005053482 210375189 /nfs/dbraw/zinc/37/51/89/210375189.db2.gz DJILEXBIEPRRHC-OAHLLOKOSA-N -1 3 348.790 2.702 50 0 EFAAHM O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1[O-] ZINC000004869817 210308782 /nfs/dbraw/zinc/30/87/82/210308782.db2.gz AKJKANMMXVAJRF-UHFFFAOYSA-N -1 3 326.381 2.704 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(C)=O ZINC000004815403 210285073 /nfs/dbraw/zinc/28/50/73/210285073.db2.gz YJHYOXZPMUAROQ-UHFFFAOYSA-N -1 3 338.360 2.594 50 0 EFAAHM O=C1[N-][C@@](c2ccc(F)cc2)(C(F)(F)F)C(=O)N1Cc1ccco1 ZINC000004840021 210295260 /nfs/dbraw/zinc/29/52/60/210295260.db2.gz BJTUUIRWUFXXPY-CQSZACIVSA-N -1 3 342.248 2.928 50 0 EFAAHM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cccc(Cn2cccn2)c1 ZINC000215956201 258072097 /nfs/dbraw/zinc/07/20/97/258072097.db2.gz DTJWSJBVVGUYON-HXUWFJFHSA-N -1 3 347.418 2.943 50 0 EFAAHM COc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187075 286248184 /nfs/dbraw/zinc/24/81/84/286248184.db2.gz FJJFUMBHEOHXLC-RHSMWYFYSA-N -1 3 338.363 2.570 50 0 biogenic EFAAHM COc1ccc(CN(C)Cc2ccc3nonc3c2)cc1C(=O)[O-] ZINC000215340708 286302663 /nfs/dbraw/zinc/30/26/63/286302663.db2.gz ZPDYYBDELMOMDX-UHFFFAOYSA-N -1 3 327.340 2.562 50 0 EFAAHM COc1cccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)c1 ZINC000000352151 286443697 /nfs/dbraw/zinc/44/36/97/286443697.db2.gz QLOFJRJIVNIGEZ-WFASDCNBSA-N -1 3 342.317 2.948 50 0 EFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000036365846 277916605 /nfs/dbraw/zinc/91/66/05/277916605.db2.gz QEJSDAJHRURCMH-UHFFFAOYSA-N -1 3 329.381 2.682 50 0 EFAAHM Cc1c([O-])c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000013481899 278607074 /nfs/dbraw/zinc/60/70/74/278607074.db2.gz BXTNNJIQILYHJB-GFCCVEGCSA-N -1 3 342.347 2.877 50 0 biogenic,in-vitro EFAAHM CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1[O-])CC2 ZINC000091998075 279256144 /nfs/dbraw/zinc/25/61/44/279256144.db2.gz ZLMNAMPJGWGRTL-UHFFFAOYSA-N -1 3 330.428 2.565 50 0 EFAAHM Cc1c2cc(F)ccc2[nH]c1CN1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000072429214 280264076 /nfs/dbraw/zinc/26/40/76/280264076.db2.gz JROALCITXKRUTO-INIZCTEOSA-N -1 3 328.347 2.523 50 0 EFAAHM Cc1cccc(C)c1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101359404 281203941 /nfs/dbraw/zinc/20/39/41/281203941.db2.gz JFLNOABZUVHYEX-YOEHRIQHSA-N -1 3 338.338 2.735 50 0 EFAAHM CC[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2c([O-])[nH]c(=S)[nH]c2=O)N1 ZINC000020759741 281239223 /nfs/dbraw/zinc/23/92/23/281239223.db2.gz TYSKKCPATHSIQF-RMLUDKJBSA-N -1 3 342.424 2.633 50 0 biogenic EFAAHM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(CCC(F)(F)F)C[C@H]21 ZINC000095529580 295268825 /nfs/dbraw/zinc/26/88/25/295268825.db2.gz LNZJNMQJIDLKKT-IUODEOHRSA-N -1 3 345.317 2.510 50 0 EFAAHM Cc1nn(C)cc1[C@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000071279442 302802131 /nfs/dbraw/zinc/80/21/31/302802131.db2.gz WUDNVVWJHUADIO-GFCCVEGCSA-N -1 3 329.404 2.847 50 0 EFAAHM COC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1oc(C)cc(=O)c1[O-] ZINC000095477432 473211691 /nfs/dbraw/zinc/21/16/91/473211691.db2.gz XWNVLNCFCOYCMF-VIFPVBQESA-N -1 3 342.269 2.766 50 0 EFAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1O ZINC000095475543 473212027 /nfs/dbraw/zinc/21/20/27/473212027.db2.gz ILEXVGUKHBMMAO-AWEZNQCLSA-N -1 3 349.412 2.896 50 0 EFAAHM Cn1nc(-c2cccs2)cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000095480724 473212894 /nfs/dbraw/zinc/21/28/94/473212894.db2.gz VMBBKVWFQVBWFF-UHFFFAOYSA-N -1 3 342.306 2.538 50 0 EFAAHM Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000095480724 473212896 /nfs/dbraw/zinc/21/28/96/473212896.db2.gz VMBBKVWFQVBWFF-UHFFFAOYSA-N -1 3 342.306 2.538 50 0 EFAAHM CCc1ccc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)nc1 ZINC000095512295 473217550 /nfs/dbraw/zinc/21/75/50/473217550.db2.gz VQSJKDJAQZLDII-YLJYHZDGSA-N -1 3 338.407 2.707 50 0 EFAAHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1F)c1ccc(C)s1 ZINC000096104789 473297850 /nfs/dbraw/zinc/29/78/50/473297850.db2.gz XFUSANOXVOUESS-LBPRGKRZSA-N -1 3 329.418 2.862 50 0 EFAAHM O=S(=O)([N-]CCn1nc(C2CC2)cc1C1CC1)c1ccccc1F ZINC000096121776 473307427 /nfs/dbraw/zinc/30/74/27/473307427.db2.gz KLBQTXVUENFZNR-UHFFFAOYSA-N -1 3 349.431 2.756 50 0 EFAAHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cnn([C@H]3CCOC3)c2)cc1 ZINC000096123281 473308324 /nfs/dbraw/zinc/30/83/24/473308324.db2.gz VDMSPMGNMVNNTP-DYLHUKMJSA-N -1 3 333.413 2.566 50 0 EFAAHM CO[C@@](C)(C[N-]S(=O)(=O)c1cccs1)c1ccccc1F ZINC000096123568 473308542 /nfs/dbraw/zinc/30/85/42/473308542.db2.gz CMOQMCRSIWFWIA-AWEZNQCLSA-N -1 3 329.418 2.727 50 0 EFAAHM Cc1ncc(C(=O)NCC(c2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC000096141764 473313532 /nfs/dbraw/zinc/31/35/32/473313532.db2.gz GQEAXPNFGMCJEU-UHFFFAOYSA-N -1 3 333.391 2.640 50 0 EFAAHM O=C(CSC1=N[C@H](c2ccccc2)CC(=O)[N-]1)Nc1ccccc1 ZINC000000080051 471320499 /nfs/dbraw/zinc/32/04/99/471320499.db2.gz PASUUNNXDLRTNX-HNNXBMFYSA-N -1 3 339.420 2.976 50 0 EFAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000000089600 471321629 /nfs/dbraw/zinc/32/16/29/471321629.db2.gz NPCOYASZGQPAJA-UHFFFAOYSA-N -1 3 326.324 2.724 50 0 EFAAHM COc1cc(C(=O)Oc2ccc3c([O-])coc3c2)cc(OC)c1OC ZINC000000145986 471328520 /nfs/dbraw/zinc/32/85/20/471328520.db2.gz JAWBHVDMHTXOQU-UHFFFAOYSA-N -1 3 344.319 2.507 50 0 EFAAHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1cccc2nonc21 ZINC000000152650 471328730 /nfs/dbraw/zinc/32/87/30/471328730.db2.gz QXWYVYXPSCMLBN-ZDUSSCGKSA-N -1 3 329.381 2.579 50 0 EFAAHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000153380 471329242 /nfs/dbraw/zinc/32/92/42/471329242.db2.gz ZEWYWJINYJHKIJ-AWEZNQCLSA-N -1 3 339.800 2.533 50 0 EFAAHM COc1ccc(Cl)cc1C(=O)N1NC(C)=C[C@@]1([O-])C(F)(F)F ZINC000000204402 471334399 /nfs/dbraw/zinc/33/43/99/471334399.db2.gz LBOHIURHEHIWGY-GFCCVEGCSA-N -1 3 336.697 2.821 50 0 EFAAHM O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000000302371 471344652 /nfs/dbraw/zinc/34/46/52/471344652.db2.gz IBKROSLURNUKDB-DOMZBBRYSA-N -1 3 326.318 2.868 50 0 EFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2-n2cccc2)N1 ZINC000000374305 471351730 /nfs/dbraw/zinc/35/17/30/471351730.db2.gz ACAAARRHTVKSKR-HNNXBMFYSA-N -1 3 337.301 2.950 50 0 EFAAHM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000000609409 471372341 /nfs/dbraw/zinc/37/23/41/471372341.db2.gz IPTCZOWEHKGUJR-UHFFFAOYSA-N -1 3 329.324 2.783 50 0 EFAAHM CCN(CC)C(=O)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O ZINC000000819388 471377460 /nfs/dbraw/zinc/37/74/60/471377460.db2.gz FEPPNIHINLVOBZ-MRXNPFEDSA-N -1 3 346.814 2.794 50 0 EFAAHM COc1cc(S(=O)(=O)[N-]Cc2ccccc2)c(OC)cc1Cl ZINC000001431558 471390825 /nfs/dbraw/zinc/39/08/25/471390825.db2.gz PLKVEFSHYBSDHV-UHFFFAOYSA-N -1 3 341.816 2.836 50 0 EFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(Br)s2)S1 ZINC000001425535 471391044 /nfs/dbraw/zinc/39/10/44/471391044.db2.gz IPUYJVCRPUFTJH-VIFPVBQESA-N -1 3 348.247 2.512 50 0 EFAAHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc([O-])cc3)c2C(N)=O)C1 ZINC000001788415 471398524 /nfs/dbraw/zinc/39/85/24/471398524.db2.gz TWMFMKAMCVYZAC-SECBINFHSA-N -1 3 330.409 2.930 50 0 EFAAHM COC(=O)c1sc2ncn3nc(-c4ccccc4[O-])nc3c2c1C ZINC000002791975 471421551 /nfs/dbraw/zinc/42/15/51/471421551.db2.gz JYLHNYOWNRLWMP-UHFFFAOYSA-N -1 3 340.364 2.807 50 0 EFAAHM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N-]S(C)(=O)=O ZINC000002804681 471424133 /nfs/dbraw/zinc/42/41/33/471424133.db2.gz UQMAGPFILIAIEM-UHFFFAOYSA-N -1 3 331.800 2.712 50 0 EFAAHM CCOC(=O)N(CC)c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000002900746 471427887 /nfs/dbraw/zinc/42/78/87/471427887.db2.gz BRDLCWHSHREIJW-CQSZACIVSA-N -1 3 349.305 2.592 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 ZINC000005206927 471491924 /nfs/dbraw/zinc/49/19/24/471491924.db2.gz ACQDHKRWTAEZMY-UHFFFAOYSA-N -1 3 348.472 2.556 50 0 EFAAHM O=C([O-])[C@H](CC(=O)Nc1ccc2ccccc2c1)NCc1cccnc1 ZINC000005258874 471496197 /nfs/dbraw/zinc/49/61/97/471496197.db2.gz HWZYREONJXVZEN-SFHVURJKSA-N -1 3 349.390 2.806 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1 ZINC000005329440 471499889 /nfs/dbraw/zinc/49/98/89/471499889.db2.gz UWLAPRZNLFLENU-UHFFFAOYSA-N -1 3 346.408 2.623 50 0 EFAAHM CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000005422929 471504747 /nfs/dbraw/zinc/50/47/47/471504747.db2.gz GJEVGXLHIGZEJB-UHFFFAOYSA-N -1 3 343.412 2.862 50 0 EFAAHM CN(C)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000005422929 471504752 /nfs/dbraw/zinc/50/47/52/471504752.db2.gz GJEVGXLHIGZEJB-UHFFFAOYSA-N -1 3 343.412 2.862 50 0 EFAAHM CN(C)c1ccc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000005422929 471504759 /nfs/dbraw/zinc/50/47/59/471504759.db2.gz 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Cc1cccc([C@H](C(=O)[O-])N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000228983165 240234210 /nfs/dbraw/zinc/23/42/10/240234210.db2.gz CVNMKMATQDFEGJ-HUUCEWRRSA-N -1 3 334.416 2.720 50 0 EFAAHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccccc2)n1 ZINC000020889021 212182007 /nfs/dbraw/zinc/18/20/07/212182007.db2.gz URDUAEDRCJVMDO-UHFFFAOYSA-N -1 3 329.381 2.524 50 0 EFAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253408051 243916854 /nfs/dbraw/zinc/91/68/54/243916854.db2.gz KIVKIDBFKKVFPV-CQSZACIVSA-N -1 3 340.331 2.899 50 0 biogenic EFAAHM O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1)C1CCCCC1 ZINC000253535333 244010435 /nfs/dbraw/zinc/01/04/35/244010435.db2.gz LLSKIFKNWNRXMZ-GASCZTMLSA-N -1 3 344.459 2.725 50 0 EFAAHM Cc1cc([N-]C(=O)COc2ccc(Br)cc2C=O)on1 ZINC000020285183 212116777 /nfs/dbraw/zinc/11/67/77/212116777.db2.gz AYANPZPPXQCBNP-UHFFFAOYSA-N -1 3 339.145 2.576 50 0 EFAAHM CCCCn1c(=O)c([C@@H]2NCCc3ccccc32)c([O-])[nH]c1=S ZINC000020229577 212113447 /nfs/dbraw/zinc/11/34/47/212113447.db2.gz OOQDQDHHGOJLLL-CQSZACIVSA-N -1 3 331.441 2.647 50 0 EFAAHM CCCCn1c([O-])c([C@@H]2NCCc3ccccc32)c(=O)[nH]c1=S ZINC000020229577 212113449 /nfs/dbraw/zinc/11/34/49/212113449.db2.gz OOQDQDHHGOJLLL-CQSZACIVSA-N -1 3 331.441 2.647 50 0 EFAAHM COc1ccc(Cl)c2c(=O)c(CN3CCN(C)CC3)c(C)[n-]c12 ZINC000019793514 212068823 /nfs/dbraw/zinc/06/88/23/212068823.db2.gz DZQJZNYWKXDLAR-UHFFFAOYSA-N -1 3 335.835 2.658 50 0 EFAAHM COc1cccc2c(=O)c(C(=O)Nc3ccnn3C(C)C)c[n-]c12 ZINC000079494991 217234560 /nfs/dbraw/zinc/23/45/60/217234560.db2.gz DRDOVNNVBRFCOD-UHFFFAOYSA-N -1 3 326.356 2.566 50 0 EFAAHM O=C(NCCc1nc2ccccc2[nH]1)c1c[n-]nc1-c1cccs1 ZINC000426477448 247285649 /nfs/dbraw/zinc/28/56/49/247285649.db2.gz USQBJHGEPPWSCB-UHFFFAOYSA-N -1 3 337.408 2.987 50 0 EFAAHM O=C(c1ccccc1)N1NC(C(F)(F)F)=C[C@]1([O-])C(F)(F)F ZINC000000052747 296260253 /nfs/dbraw/zinc/26/02/53/296260253.db2.gz BOCDRQDDEPQHIV-JTQLQIEISA-N -1 3 326.196 2.702 50 0 EFAAHM O=C(c1cccnc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000069797 296264860 /nfs/dbraw/zinc/26/48/60/296264860.db2.gz SUYMDQIIVHEGDV-BXUZGUMPSA-N -1 3 327.306 2.725 50 0 EFAAHM Cc1cc2nc(CN3CCC[C@](C)(c4ccccc4)C3)cc(=O)n2[n-]1 ZINC000091526847 218018043 /nfs/dbraw/zinc/01/80/43/218018043.db2.gz SDLDPOSSORTMNE-FQEVSTJZSA-N -1 3 336.439 2.885 50 0 EFAAHM CC(C)n1ccnc1C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000091586133 218025625 /nfs/dbraw/zinc/02/56/25/218025625.db2.gz FQVRQDPYDZHFRV-UHFFFAOYSA-N -1 3 338.415 2.755 50 0 EFAAHM Cc1nn2c([n-]1)nc(CN1CCC[C@](C)(c3ccccc3)C1)cc2=O ZINC000091646081 218039773 /nfs/dbraw/zinc/03/97/73/218039773.db2.gz XSSRTJLAKGDBNS-IBGZPJMESA-N -1 3 337.427 2.692 50 0 EFAAHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(cc2OC)OCCCO3)C1 ZINC000091656124 218041145 /nfs/dbraw/zinc/04/11/45/218041145.db2.gz CZFDVJMLXNVKOP-LJQANCHMSA-N -1 3 349.427 2.933 50 0 EFAAHM CO[C@H]1CN(C(C)C)C[C@@H]1Nc1cc(C)nc(-c2ccccc2[O-])n1 ZINC000091656077 218041389 /nfs/dbraw/zinc/04/13/89/218041389.db2.gz DWSUMIIGTMJEMD-RDJZCZTQSA-N -1 3 342.443 2.677 50 0 EFAAHM CCCn1ccnc1CN1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000091848859 218076883 /nfs/dbraw/zinc/07/68/83/218076883.db2.gz NSLOSXQCQSJJPL-DLBZAZTESA-N -1 3 327.428 2.902 50 0 EFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@](C)(c3ccccc3)C2)c(=O)[n-]1 ZINC000092081745 218117735 /nfs/dbraw/zinc/11/77/35/218117735.db2.gz ZKXZXWQQHXLSCG-FQEVSTJZSA-N -1 3 339.439 2.510 50 0 EFAAHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)cc1 ZINC000010315199 211162793 /nfs/dbraw/zinc/16/27/93/211162793.db2.gz BBEOUTTXUJDPEO-UHFFFAOYSA-N -1 3 334.397 2.627 50 0 EFAAHM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1 ZINC000010314263 211162640 /nfs/dbraw/zinc/16/26/40/211162640.db2.gz YSGXVAGRRPIHJR-UHFFFAOYSA-N -1 3 348.424 2.936 50 0 EFAAHM Cc1csc2nc([O-])c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c(=O)n12 ZINC000010166696 211151825 /nfs/dbraw/zinc/15/18/25/211151825.db2.gz CNUSAZUMWFVHSP-ONGXEEELSA-N -1 3 349.456 2.715 50 0 EFAAHM Cc1cccc(CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000010110751 211148371 /nfs/dbraw/zinc/14/83/71/211148371.db2.gz CLNHTCOLBCKIEH-UHFFFAOYSA-N -1 3 346.452 2.729 50 0 EFAAHM COc1ccc(Cl)cc1NC(=N)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000009486088 211091224 /nfs/dbraw/zinc/09/12/24/211091224.db2.gz UKCSPXHLOAEOGF-UHFFFAOYSA-N -1 3 347.806 2.769 50 0 EFAAHM Cc1cccc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c1C ZINC000095352737 218287306 /nfs/dbraw/zinc/28/73/06/218287306.db2.gz KQBUTFHUAJVUAZ-IBGZPJMESA-N -1 3 339.439 2.642 50 0 EFAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCC)s1 ZINC000009070551 211037566 /nfs/dbraw/zinc/03/75/66/211037566.db2.gz CTAQVFVCWKGDIO-UHFFFAOYSA-N -1 3 327.435 2.518 50 0 EFAAHM COCCn1cncc1CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366154 218298837 /nfs/dbraw/zinc/29/88/37/218298837.db2.gz MYFGUUKUGCZOIL-QGZVFWFLSA-N -1 3 343.427 2.607 50 0 EFAAHM Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)cc1C ZINC000095366446 218298905 /nfs/dbraw/zinc/29/89/05/218298905.db2.gz TVCLYXBLSCDTGS-IBGZPJMESA-N -1 3 339.439 2.642 50 0 EFAAHM O=C([O-])[C@@H](c1ccccc1OCc1ccccc1)N1CCC(O)CC1 ZINC000095363875 218296631 /nfs/dbraw/zinc/29/66/31/218296631.db2.gz VQNNGMOBMJILQD-LJQANCHMSA-N -1 3 341.407 2.848 50 0 EFAAHM COc1ccc([C@H](C(=O)[O-])N2CCC(Cn3cccn3)CC2)cc1F ZINC000095374007 218306965 /nfs/dbraw/zinc/30/69/65/218306965.db2.gz BRPBYVKLBNMMJT-QGZVFWFLSA-N -1 3 347.390 2.569 50 0 EFAAHM CCCN1CCC(CC(=O)N(C)CC(=O)c2ccc([O-])cc2)CC1 ZINC000095383585 218315902 /nfs/dbraw/zinc/31/59/02/218315902.db2.gz JYMDUKBSYDWKKO-UHFFFAOYSA-N -1 3 332.444 2.545 50 0 EFAAHM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc(Cl)c1 ZINC000101360814 285011585 /nfs/dbraw/zinc/01/15/85/285011585.db2.gz USNDXTUOUFUALX-ZFWWWQNUSA-N -1 3 344.729 2.772 50 0 EFAAHM CCSc1nnc([N-]C(=O)c2nnn(-c3ccccc3)c2C)s1 ZINC000005033429 210370248 /nfs/dbraw/zinc/37/02/48/210370248.db2.gz KEQNTUKUYFASIR-UHFFFAOYSA-N -1 3 346.441 2.792 50 0 EFAAHM CC(C)=CCC/C(C)=C/CN1C[C@H](CC(=O)[O-])[C@H](c2cn(C)nn2)C1 ZINC000299783555 258091411 /nfs/dbraw/zinc/09/14/11/258091411.db2.gz ZJKJLTWZNDZYOC-UFWNIKGBSA-N -1 3 346.475 2.998 50 0 EFAAHM COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000299790857 258096672 /nfs/dbraw/zinc/09/66/72/258096672.db2.gz CDPSCSARNFPLQE-QGZVFWFLSA-N -1 3 341.411 2.544 50 0 EFAAHM Cc1ccc(OC[C@H]2CCCN(C(=O)c3c[nH]c(=O)cc3[O-])C2)cc1 ZINC000299800360 258103626 /nfs/dbraw/zinc/10/36/26/258103626.db2.gz WGZXCVDZJOSVJG-AWEZNQCLSA-N -1 3 342.395 2.732 50 0 EFAAHM COc1cccc(CN2CCC[C@H](Nc3ncccc3C(=O)[O-])C2)c1 ZINC000072477827 258064826 /nfs/dbraw/zinc/06/48/26/258064826.db2.gz KPCIKMPZZPNLPP-HNNXBMFYSA-N -1 3 341.411 2.865 50 0 EFAAHM O=c1[n-]c(NCCCO)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000008667243 296524535 /nfs/dbraw/zinc/52/45/35/296524535.db2.gz AOPXEMVTRDRQPY-UHFFFAOYSA-N -1 3 325.412 2.599 50 0 EFAAHM COc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2[O-])cc1OC ZINC000000457170 262518594 /nfs/dbraw/zinc/51/85/94/262518594.db2.gz SXJHAGKKPZRYRA-UHFFFAOYSA-N -1 3 346.408 2.845 50 0 EFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1cc2ccccc2[nH]c1=O ZINC000071282583 280743716 /nfs/dbraw/zinc/74/37/16/280743716.db2.gz BQMILEUNFQVYJR-NSHDSACASA-N -1 3 338.367 2.722 50 0 EFAAHM Cc1cccc(C)c1NC(=O)C=C1[N-]S(=O)(=O)c2ccccc2N1 ZINC000015826719 281206691 /nfs/dbraw/zinc/20/66/91/281206691.db2.gz GUJABQOZHPAHHJ-UHFFFAOYSA-N -1 3 343.408 2.654 50 0 EFAAHM Nc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000000436097 295351398 /nfs/dbraw/zinc/35/13/98/295351398.db2.gz UQIAOINDLAFVMA-FZMZJTMJSA-N -1 3 327.306 2.522 50 0 EFAAHM Cc1ccn2c(c1)nc([O-])c(C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1)c2=O ZINC000016689960 302259306 /nfs/dbraw/zinc/25/93/06/302259306.db2.gz OEXDHSXGVISBJO-OLZOCXBDSA-N -1 3 343.427 2.653 50 0 EFAAHM CC(=O)c1sc(NC(=O)c2c[n-]c3ccccc3c2=O)nc1C ZINC000012421841 462853066 /nfs/dbraw/zinc/85/30/66/462853066.db2.gz BFCKQUCTEGUOIN-UHFFFAOYSA-N -1 3 327.365 2.748 50 0 EFAAHM CC(=O)c1sc(NC(=O)c2cnc3ccccc3c2[O-])nc1C ZINC000012421841 462853072 /nfs/dbraw/zinc/85/30/72/462853072.db2.gz BFCKQUCTEGUOIN-UHFFFAOYSA-N -1 3 327.365 2.748 50 0 EFAAHM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)s1 ZINC000095513023 473218268 /nfs/dbraw/zinc/21/82/68/473218268.db2.gz XEIMKXUNGIEGPZ-LBPRGKRZSA-N -1 3 348.424 2.568 50 0 EFAAHM O=c1cc(CO)oc([C@H](Nc2nccs2)c2ccc(F)cc2)c1[O-] ZINC000000121470 471326404 /nfs/dbraw/zinc/32/64/04/471326404.db2.gz IGFFJVPCUQPWNR-CYBMUJFWSA-N -1 3 348.355 2.635 50 0 EFAAHM CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000000330955 471348532 /nfs/dbraw/zinc/34/85/32/471348532.db2.gz BZPPSEVCCFGIRD-AWEZNQCLSA-N -1 3 329.322 2.615 50 0 EFAAHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N(C)C)cc2)N1 ZINC000000330963 471348604 /nfs/dbraw/zinc/34/86/04/471348604.db2.gz BZPPSEVCCFGIRD-CQSZACIVSA-N -1 3 329.322 2.615 50 0 EFAAHM CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2C1=O ZINC000000462720 471363384 /nfs/dbraw/zinc/36/33/84/471363384.db2.gz SWMZORNQPRELAR-UHFFFAOYSA-N -1 3 344.754 2.914 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]Cc2ccccn2)c(Cl)c1Cl ZINC000000479667 471365661 /nfs/dbraw/zinc/36/56/61/471365661.db2.gz AMOCNPFWEAZFQS-UHFFFAOYSA-N -1 3 347.223 2.876 50 0 EFAAHM C[C@H]1CCc2c(sc(NC(=O)c3ccc([O-])cc3)c2C(N)=O)C1 ZINC000001788413 471397693 /nfs/dbraw/zinc/39/76/93/471397693.db2.gz TWMFMKAMCVYZAC-VIFPVBQESA-N -1 3 330.409 2.930 50 0 EFAAHM O=S(=O)([N-]CCSCc1ccco1)c1ccc(F)cc1F ZINC000002381199 471407329 /nfs/dbraw/zinc/40/73/29/471407329.db2.gz LIXYLFVVMJMMNR-UHFFFAOYSA-N -1 3 333.381 2.770 50 0 EFAAHM CCOC(=O)[C@@]([O-])(CC(=O)Nc1cccc(Cl)c1)C(F)(F)F ZINC000002769656 471420532 /nfs/dbraw/zinc/42/05/32/471420532.db2.gz DWEWCYDXQAJNKR-LBPRGKRZSA-N -1 3 339.697 2.525 50 0 EFAAHM CCCC(=O)N[C@@]([N-]c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000005645498 471515219 /nfs/dbraw/zinc/51/52/19/471515219.db2.gz JHXJAVKYNGIYKA-AWEZNQCLSA-N -1 3 332.322 2.837 50 0 EFAAHM Cn1[n-]c(-c2cccn(Cc3cccc(Cl)c3)c2=O)nc1=S ZINC000005753343 471520200 /nfs/dbraw/zinc/52/02/00/471520200.db2.gz HTTYMENNQCLMFS-UHFFFAOYSA-N -1 3 332.816 2.634 50 0 EFAAHM CCOC(=O)c1ccc2nc(C(Cl)(Cl)Cl)[n-]c(=O)c2c1 ZINC000006493492 471546701 /nfs/dbraw/zinc/54/67/01/471546701.db2.gz FZKMKDLFWJUOBJ-UHFFFAOYSA-N -1 3 335.574 2.927 50 0 EFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3cccnc3)cc2O1 ZINC000006624127 471554882 /nfs/dbraw/zinc/55/48/82/471554882.db2.gz BAFQCNNJAQPFCU-UHFFFAOYSA-N -1 3 342.351 2.549 50 0 biogenic EFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccccn3)cc2O1 ZINC000006669740 471558162 /nfs/dbraw/zinc/55/81/62/471558162.db2.gz RKRITLKTOHVAJV-UHFFFAOYSA-N -1 3 342.351 2.549 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006703151 471561100 /nfs/dbraw/zinc/56/11/00/471561100.db2.gz CGHRANVQFXCFPX-UHFFFAOYSA-N -1 3 348.468 2.757 50 0 EFAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1CCCC1 ZINC000007375661 471609823 /nfs/dbraw/zinc/60/98/23/471609823.db2.gz FQUCHIKGMXTGEX-UHFFFAOYSA-N -1 3 334.235 2.679 50 0 EFAAHM O=c1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000009089984 471710567 /nfs/dbraw/zinc/71/05/67/471710567.db2.gz DTDUWLKDYUSRNB-UHFFFAOYSA-N -1 3 332.407 2.764 50 0 EFAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000009828260 471721743 /nfs/dbraw/zinc/72/17/43/471721743.db2.gz CIRVKPXKKBABFE-UHFFFAOYSA-N -1 3 348.399 2.844 50 0 EFAAHM CCSc1nnc([N-]C(=O)c2cc(-c3ccccc3O)[nH]n2)s1 ZINC000013125514 471817964 /nfs/dbraw/zinc/81/79/64/471817964.db2.gz BTVSDLYWPOFVRQ-UHFFFAOYSA-N -1 3 347.425 2.998 50 0 EFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c(C)c1 ZINC000016994325 471953455 /nfs/dbraw/zinc/95/34/55/471953455.db2.gz HHZBNBKHOOYEHQ-UHFFFAOYSA-N -1 3 344.436 2.932 50 0 EFAAHM CCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCN(C)CC2 ZINC000041128012 472046178 /nfs/dbraw/zinc/04/61/78/472046178.db2.gz FHABINBGFOPHTJ-MRXNPFEDSA-N -1 3 330.428 2.575 50 0 EFAAHM CCN1CCC[C@H]1CNC(=O)c1c([O-])c(Cl)cc(Cl)c1OC ZINC000025757754 472110683 /nfs/dbraw/zinc/11/06/83/472110683.db2.gz WAOQONBSWFLFPE-VIFPVBQESA-N -1 3 347.242 2.922 50 0 world EFAAHM Cc1nc(C)c(CC(=O)NCC2(c3ccccc3)CCCC2)c(=O)[n-]1 ZINC000031227710 472368465 /nfs/dbraw/zinc/36/84/65/472368465.db2.gz 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Cc1cc2nc(CN3CC[C@@H](c4cccc(Cl)c4)C3)cc(=O)n2[n-]1 ZINC000334159657 258016476 /nfs/dbraw/zinc/01/64/76/258016476.db2.gz PIECTMCJWGZLLJ-CQSZACIVSA-N -1 3 342.830 2.974 50 0 EFAAHM O=C(NCCCC[C@H]1CCCO1)c1cccc(-c2cc(=O)[n-]cn2)c1 ZINC000299778930 258088474 /nfs/dbraw/zinc/08/84/74/258088474.db2.gz PWDRVUHFJCVLKX-INIZCTEOSA-N -1 3 341.411 2.928 50 0 EFAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3ccc(Cl)nc3)C2)cc(=O)[n-]1 ZINC000299758368 258075971 /nfs/dbraw/zinc/07/59/71/258075971.db2.gz PBPAFGVCCCCHME-NSHDSACASA-N -1 3 347.806 2.951 50 0 EFAAHM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000016123844 277183626 /nfs/dbraw/zinc/18/36/26/277183626.db2.gz KRXIEAOYUVMROX-HNNXBMFYSA-N -1 3 334.416 2.755 50 0 EFAAHM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCc3ccccc3C2)c1 ZINC000095355343 295182050 /nfs/dbraw/zinc/18/20/50/295182050.db2.gz LXTZXYRAXDUULG-GOSISDBHSA-N -1 3 327.380 2.888 50 0 EFAAHM CSCc1ccc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)o1 ZINC000082097989 473288123 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ZINC000072169315 472632840 /nfs/dbraw/zinc/63/28/40/472632840.db2.gz CICNGWNNLSFGSM-KRWDZBQOSA-N -1 3 330.428 2.577 50 0 EFAAHM CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1ccccc1[O-] ZINC000061720271 472715967 /nfs/dbraw/zinc/71/59/67/472715967.db2.gz ZBIBLMVNSJUVNX-SFHVURJKSA-N -1 3 339.395 2.881 50 0 EFAAHM Cc1noc2nc(C)cc(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)c12 ZINC000061721891 472716369 /nfs/dbraw/zinc/71/63/69/472716369.db2.gz CVHWOENGHWETSH-JTQLQIEISA-N -1 3 345.384 2.795 50 0 EFAAHM CCN(CCSc1ccc(C)cc1)C(=O)c1cnc(C)[n-]c1=O ZINC000091288682 472753192 /nfs/dbraw/zinc/75/31/92/472753192.db2.gz NAEQDTWCCYVUCP-UHFFFAOYSA-N -1 3 331.441 2.641 50 0 EFAAHM Cc1ccc2oc(N3CCN(Cc4nc(C)ccc4[O-])CC3)nc2c1 ZINC000065370952 472928821 /nfs/dbraw/zinc/92/88/21/472928821.db2.gz ZKLREXLEKHWMTI-UHFFFAOYSA-N -1 3 338.411 2.867 50 0 EFAAHM CN(Cc1ncccc1C(=O)[O-])C[C@H]1CCN(c2ccccc2)C1 ZINC000065497341 472957323 /nfs/dbraw/zinc/95/73/23/472957323.db2.gz JYGVKVZZVXENJL-OAHLLOKOSA-N -1 3 325.412 2.738 50 0 EFAAHM CC(C)Cc1noc([C@H]2CCCN(Cc3ncccc3C(=O)[O-])C2)n1 ZINC000065502763 472958381 /nfs/dbraw/zinc/95/83/81/472958381.db2.gz UUFOCGFQPZQFGE-ZDUSSCGKSA-N -1 3 344.415 2.741 50 0 EFAAHM C[C@H](Oc1ccc(CN2CCN(CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000220416921 474154583 /nfs/dbraw/zinc/15/45/83/474154583.db2.gz TZXUTCCLANZYPY-INIZCTEOSA-N -1 3 346.471 2.846 50 0 EFAAHM O=C([O-])COc1ccc(-c2cccs2)cc1CN1CCC[C@H]1CO ZINC000222800511 474174574 /nfs/dbraw/zinc/17/45/74/474174574.db2.gz DKMKAFBORWFLLI-HNNXBMFYSA-N -1 3 347.436 2.835 50 0 EFAAHM O=S(=O)([N-]CCc1cnc(-c2ccccc2)nc1)c1cccs1 ZINC000225593218 474228153 /nfs/dbraw/zinc/22/81/53/474228153.db2.gz HROPUMVUIHBZQJ-UHFFFAOYSA-N -1 3 345.449 2.726 50 0 EFAAHM O=C(Nc1cccs1)N[C@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225637548 474232015 /nfs/dbraw/zinc/23/20/15/474232015.db2.gz DXBTTZSGCIJMEW-GFCCVEGCSA-N -1 3 345.380 2.590 50 0 EFAAHM O=S(=O)([N-]C[C@H](O)c1csc2ccccc12)c1cccs1 ZINC000225695533 474236415 /nfs/dbraw/zinc/23/64/15/474236415.db2.gz 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/nfs/dbraw/zinc/98/35/77/476983577.db2.gz IXWSSDCKUKTLGN-NSHDSACASA-N -1 3 331.401 2.799 50 0 EFAAHM O=C([O-])Cn1ccc([C@@H]2CCCN(CCSc3ccccc3)C2)n1 ZINC000426580946 477722013 /nfs/dbraw/zinc/72/20/13/477722013.db2.gz JIGPFJHSFRLWKO-OAHLLOKOSA-N -1 3 345.468 2.939 50 0 EFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1nc2c(s1)CCCC2 ZINC000534585461 478161316 /nfs/dbraw/zinc/16/13/16/478161316.db2.gz VAGGDCNNVIBAKJ-SECBINFHSA-N -1 3 341.458 2.666 50 0 EFAAHM CCc1noc(CN(CC)C(=O)N[C@H](C)c2ccc([O-])c(F)c2)n1 ZINC000584900395 479276596 /nfs/dbraw/zinc/27/65/96/479276596.db2.gz VPYUUNLUNHTJPM-SNVBAGLBSA-N -1 3 336.367 2.769 50 0 EFAAHM O=C(CCc1c[nH]c2ccccc12)Nc1n[n-]c([C@H]2CCCO2)n1 ZINC000604418744 479515947 /nfs/dbraw/zinc/51/59/47/479515947.db2.gz VPLNYQSCZISLCY-CQSZACIVSA-N -1 3 325.372 2.709 50 0 EFAAHM O=C(CCc1c[nH]c2ccccc12)Nc1n[n-]c([C@@H]2CCCO2)n1 ZINC000604418743 479516592 /nfs/dbraw/zinc/51/65/92/479516592.db2.gz VPLNYQSCZISLCY-AWEZNQCLSA-N -1 3 325.372 2.709 50 0 EFAAHM Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2cc(=O)[n-]cn2)c1C ZINC001506431569 1405767867 /nfs/dbraw/zinc/76/78/67/1405767867.db2.gz PKMZPDKBXQVNEQ-UHFFFAOYSA-N -1 3 349.456 2.575 50 0 EFAAHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])[C@@H](C)C2=O)cc1 ZINC000055404516 214319452 /nfs/dbraw/zinc/31/94/52/214319452.db2.gz GGOCZYMFJLKNGB-HNNXBMFYSA-N -1 3 338.407 2.574 50 0 EFAAHM O=C1[N-]C(=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000100412151 219098529 /nfs/dbraw/zinc/09/85/29/219098529.db2.gz MPQWYPLPWGUMJE-MRXNPFEDSA-N -1 3 336.326 2.559 50 0 in-vitro EFAAHM CC(=O)C(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)=C(C)[O-] ZINC000100540381 219101383 /nfs/dbraw/zinc/10/13/83/219101383.db2.gz PZSKREBNRZFTPR-UHFFFAOYSA-N -1 3 344.371 2.569 50 0 EFAAHM Cc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1Cl ZINC000004280143 210160790 /nfs/dbraw/zinc/16/07/90/210160790.db2.gz YZLNJFIJHCSCRT-CQSZACIVSA-N -1 3 336.775 2.813 50 0 EFAAHM Cc1ccn2cc(C[N-]S(=O)(=O)c3ccc(Cl)s3)nc2c1 ZINC000004248418 210150700 /nfs/dbraw/zinc/15/07/00/210150700.db2.gz ZWIWXNQNQZCESK-UHFFFAOYSA-N -1 3 341.845 2.836 50 0 EFAAHM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000068269627 215296188 /nfs/dbraw/zinc/29/61/88/215296188.db2.gz WILLNHWEWNIPCN-QGZVFWFLSA-N -1 3 346.394 2.822 50 0 EFAAHM C[C@@]1(O)CCN(C(=O)c2ccccc2[O-])C[C@@H]1Cc1ccccc1 ZINC000072144283 216030883 /nfs/dbraw/zinc/03/08/83/216030883.db2.gz MZHZYNHYTQJQNI-OXJNMPFZSA-N -1 3 325.408 2.848 50 0 EFAAHM COc1c[n-]c(C(=O)Nc2nnc(C3CCCCC3)s2)cc1=O ZINC000072404984 216195606 /nfs/dbraw/zinc/19/56/06/216195606.db2.gz MCGSPMFSNHMQHP-UHFFFAOYSA-N -1 3 334.401 2.947 50 0 EFAAHM Cc1ncc(CN2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)[nH]1 ZINC000072423202 216211480 /nfs/dbraw/zinc/21/14/80/216211480.db2.gz UDOQXICGIWMQSH-UHFFFAOYSA-N -1 3 329.400 2.525 50 0 EFAAHM Cc1nccn1C1(C(=O)[O-])CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000072428290 216219004 /nfs/dbraw/zinc/21/90/04/216219004.db2.gz KZPOPIMFUYAUFD-NSCUHMNNSA-N -1 3 343.402 2.920 50 0 EFAAHM C/C(=C\c1ccco1)CN1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072448074 216237051 /nfs/dbraw/zinc/23/70/51/216237051.db2.gz FLLLMVLLHDSEMF-GXDHUFHOSA-N -1 3 329.400 2.764 50 0 EFAAHM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc(=O)[n-]c(C)n2)c1 ZINC000023311228 212367709 /nfs/dbraw/zinc/36/77/09/212367709.db2.gz LUMCLVAYHMMLOT-CYBMUJFWSA-N -1 3 343.427 2.594 50 0 EFAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000022715002 212318516 /nfs/dbraw/zinc/31/85/16/212318516.db2.gz UCJFUBRBHBMXDG-UHFFFAOYSA-N -1 3 330.409 2.569 50 0 EFAAHM CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc2n[n-]nc2c1 ZINC000216032206 240231368 /nfs/dbraw/zinc/23/13/68/240231368.db2.gz ZSZHIDRPCVGIII-UHFFFAOYSA-N -1 3 332.367 2.620 50 0 EFAAHM COc1cc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)ccc1OCC=C(C)C ZINC000216966786 241231477 /nfs/dbraw/zinc/23/14/77/241231477.db2.gz YZDCQNAMJFROKY-HWWDLCQESA-N -1 3 331.412 2.803 50 0 EFAAHM COc1ccccc1[C@H]1C=C(c2ccccc2)Oc2[nH]c(=O)[n-]c(=O)c21 ZINC000226757761 242114721 /nfs/dbraw/zinc/11/47/21/242114721.db2.gz DUGSZSOFCURCRG-CQSZACIVSA-N -1 3 348.358 2.637 50 0 EFAAHM O=C(NCC[C@H]1CCCCO1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000020778771 212171515 /nfs/dbraw/zinc/17/15/15/212171515.db2.gz ZAVUNCNLLNDUDT-LLVKDONJSA-N -1 3 333.367 2.692 50 0 EFAAHM Cc1cnc(N[C@H]2C[C@@H](c3cc(=O)[n-]c(C4CC4)n3)C2)nc1N(C)C ZINC000253535758 244009407 /nfs/dbraw/zinc/00/94/07/244009407.db2.gz PIQISLDQYUQPLG-BETUJISGSA-N -1 3 340.431 2.582 50 0 EFAAHM CCCCc1c([O-])nc(SCCN(C)C)n(-c2ccccc2)c1=O ZINC000020101358 212100614 /nfs/dbraw/zinc/10/06/14/212100614.db2.gz ZACGNQPZHZDXDB-UHFFFAOYSA-N -1 3 347.484 2.934 50 0 EFAAHM O=C(NCCc1ccccn1)c1c[n-]c2ccc(Cl)cc2c1=O ZINC000079494206 217233810 /nfs/dbraw/zinc/23/38/10/217233810.db2.gz AYUZWUKHKKMMEO-UHFFFAOYSA-N -1 3 327.771 2.549 50 0 EFAAHM O=C(NCCc1ccccn1)c1cnc2ccc(Cl)cc2c1[O-] ZINC000079494206 217233812 /nfs/dbraw/zinc/23/38/12/217233812.db2.gz AYUZWUKHKKMMEO-UHFFFAOYSA-N -1 3 327.771 2.549 50 0 EFAAHM O=C(c1ccccc1)N1NC(C(F)(F)F)=C[C@@]1([O-])C(F)(F)F ZINC000000052748 296260217 /nfs/dbraw/zinc/26/02/17/296260217.db2.gz BOCDRQDDEPQHIV-SNVBAGLBSA-N -1 3 326.196 2.702 50 0 EFAAHM O=C(c1ccccc1[O-])N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000436189 296262805 /nfs/dbraw/zinc/26/28/05/296262805.db2.gz GITNYGIPTKRVPM-YGRLFVJLSA-N -1 3 328.290 2.645 50 0 EFAAHM Cc1ccc2nc(C)c([N-]C(=O)c3c(F)cccc3F)c(=O)n2c1 ZINC000012180735 211311034 /nfs/dbraw/zinc/31/10/34/211311034.db2.gz TZHGSBCNBVWXGL-UHFFFAOYSA-N -1 3 329.306 2.842 50 0 EFAAHM O=C(CSc1cnnc(=O)[n-]1)Nc1c(Cl)cccc1Cl ZINC000011990612 211276452 /nfs/dbraw/zinc/27/64/52/211276452.db2.gz ZXCXAVKGTYIFRV-UHFFFAOYSA-N -1 3 331.184 2.615 50 0 EFAAHM CCc1cccc(CC)c1NC(=O)CSc1[n-]c(=O)nnc1C ZINC000011990591 211276172 /nfs/dbraw/zinc/27/61/72/211276172.db2.gz RZMDJRAQXSIQDR-UHFFFAOYSA-N -1 3 332.429 2.741 50 0 EFAAHM O=C(Cc1ccc([O-])c(F)c1)N1CC[C@H](Cc2cccc(CO)c2)C1 ZINC000091417017 218003116 /nfs/dbraw/zinc/00/31/16/218003116.db2.gz JHGUNXCLXYPCTO-MRXNPFEDSA-N -1 3 343.398 2.657 50 0 EFAAHM O=C(c1ccc([O-])cc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000091604970 218031725 /nfs/dbraw/zinc/03/17/25/218031725.db2.gz UDTXVGOCQLTYSH-UHFFFAOYSA-N -1 3 342.439 2.647 50 0 EFAAHM Cc1nn2c([n-]1)nc(CN1CCC[C@@](C)(c3ccccc3)C1)cc2=O ZINC000091646080 218040056 /nfs/dbraw/zinc/04/00/56/218040056.db2.gz XSSRTJLAKGDBNS-LJQANCHMSA-N -1 3 337.427 2.692 50 0 EFAAHM O=C([O-])[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1ccc(F)cc1 ZINC000091677363 218045972 /nfs/dbraw/zinc/04/59/72/218045972.db2.gz YNZQAACVILIDLO-DLBZAZTESA-N -1 3 339.370 2.774 50 0 EFAAHM Cc1ncc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000091677576 218046008 /nfs/dbraw/zinc/04/60/08/218046008.db2.gz SGYFNKXRAFSSAQ-SFHVURJKSA-N -1 3 348.406 2.610 50 0 EFAAHM CCOCCC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000011566209 211223699 /nfs/dbraw/zinc/22/36/99/211223699.db2.gz HBBZSIHEQAPGHE-UHFFFAOYSA-N -1 3 342.244 2.707 50 0 EFAAHM CCC[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000011614145 211226882 /nfs/dbraw/zinc/22/68/82/211226882.db2.gz AAVBPRGOCVEMDA-UHFFFAOYSA-N -1 3 336.251 2.926 50 0 EFAAHM CCC[C@H]1CN(Cc2ccccc2C(=O)[O-])C[C@@H]1NC(=O)C1CCC1 ZINC000091846672 218076119 /nfs/dbraw/zinc/07/61/19/218076119.db2.gz KRVBWQHRFUWYTC-WMZOPIPTSA-N -1 3 344.455 2.902 50 0 EFAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000009828283 211125953 /nfs/dbraw/zinc/12/59/53/211125953.db2.gz MQDAGXMBBSETNP-UHFFFAOYSA-N -1 3 334.372 2.820 50 0 EFAAHM C[C@H](CCc1ccccc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009356024 211073977 /nfs/dbraw/zinc/07/39/77/211073977.db2.gz DRWZZUVQIFDCPC-CQSZACIVSA-N -1 3 346.452 2.809 50 0 EFAAHM CCNc1ncc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095378870 218310756 /nfs/dbraw/zinc/31/07/56/218310756.db2.gz GDAOSLJPFAUDAO-QGZVFWFLSA-N -1 3 340.427 2.986 50 0 EFAAHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1ccccc1F ZINC000004938699 210329708 /nfs/dbraw/zinc/32/97/08/210329708.db2.gz FOJUMGWGOFOMRY-UHFFFAOYSA-N -1 3 346.391 2.942 50 0 EFAAHM O=C([O-])[C@@]12CN(Cc3ncc[nH]3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299777862 258088002 /nfs/dbraw/zinc/08/80/02/258088002.db2.gz LTRXMTLIUVHYBH-BXWFABGCSA-N -1 3 325.412 2.880 50 0 EFAAHM O=C(NCCCC[C@@H]1CCCO1)c1cccc(-c2cc(=O)[n-]cn2)c1 ZINC000299778936 258088493 /nfs/dbraw/zinc/08/84/93/258088493.db2.gz PWDRVUHFJCVLKX-MRXNPFEDSA-N -1 3 341.411 2.928 50 0 EFAAHM CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CCc2cc(=O)[n-]o2)cc1 ZINC000299780960 258089362 /nfs/dbraw/zinc/08/93/62/258089362.db2.gz CBYQPRBCQUNACE-KRWDZBQOSA-N -1 3 343.427 2.738 50 0 EFAAHM CN(C)Cc1ccc([C@H]2CCCN2C(=O)CCc2cc(=O)[n-]o2)cc1 ZINC000299780961 258089501 /nfs/dbraw/zinc/08/95/01/258089501.db2.gz CBYQPRBCQUNACE-QGZVFWFLSA-N -1 3 343.427 2.738 50 0 EFAAHM O=C(CCc1cc(=O)[n-]o1)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000299797612 258101691 /nfs/dbraw/zinc/10/16/91/258101691.db2.gz OVAREOUGVIUXLJ-KRWDZBQOSA-N -1 3 343.427 2.656 50 0 EFAAHM Cc1cc([N-]C(=O)c2cc3c(nc4c(C)cccn4c3=O)s2)no1 ZINC000001060815 291964094 /nfs/dbraw/zinc/96/40/94/291964094.db2.gz VWKWGVYVFUOAMN-UHFFFAOYSA-N -1 3 340.364 2.766 50 0 EFAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101344379 292128710 /nfs/dbraw/zinc/12/87/10/292128710.db2.gz GFTMSRRRMHVJGP-RDJZCZTQSA-N -1 3 338.338 2.735 50 0 EFAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187068 286246020 /nfs/dbraw/zinc/24/60/20/286246020.db2.gz FJJFUMBHEOHXLC-YOEHRIQHSA-N -1 3 338.363 2.570 50 0 biogenic EFAAHM COc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000000187071 286248257 /nfs/dbraw/zinc/24/82/57/286248257.db2.gz FJJFUMBHEOHXLC-WMLDXEAASA-N -1 3 338.363 2.570 50 0 biogenic EFAAHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000004679808 287247012 /nfs/dbraw/zinc/24/70/12/287247012.db2.gz IYAUJDXMNAZGAJ-UDZFHETQSA-N -1 3 327.306 2.581 50 0 EFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1cc2ccccc2[nH]c1=O ZINC000071282584 278119857 /nfs/dbraw/zinc/11/98/57/278119857.db2.gz BQMILEUNFQVYJR-LLVKDONJSA-N -1 3 338.367 2.722 50 0 EFAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)N[C@@H](C)c3ccccc3)co2)no1 ZINC000090582993 280373418 /nfs/dbraw/zinc/37/34/18/280373418.db2.gz VLLLISSXSCSHLD-NSHDSACASA-N -1 3 340.339 2.714 50 0 EFAAHM Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)c1[O-] ZINC000000352141 281193296 /nfs/dbraw/zinc/19/32/96/281193296.db2.gz BKXSQRZARAOITK-XHDPSFHLSA-N -1 3 342.317 2.954 50 0 EFAAHM Cn1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cn1 ZINC000079480149 294289744 /nfs/dbraw/zinc/28/97/44/294289744.db2.gz UWSHRYFTIDSGKI-ZDUSSCGKSA-N -1 3 333.417 2.862 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)N2CCCC2)c(Cl)cc1F ZINC000548370025 318100003 /nfs/dbraw/zinc/10/00/03/318100003.db2.gz HXUJFEBQQBKZSD-NSHDSACASA-N -1 3 334.844 2.550 50 0 EFAAHM CC(C)n1cc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)cn1 ZINC000095506015 473215512 /nfs/dbraw/zinc/21/55/12/473215512.db2.gz YIVCONZIWVWEIR-VQIMIIECSA-N -1 3 341.411 2.527 50 0 EFAAHM Cc1ccc(N2C[C@@H](C)N(C(=O)c3cc(C)ccc3[O-])CC2=O)cc1 ZINC000082096868 473288005 /nfs/dbraw/zinc/28/80/05/473288005.db2.gz VXMKLRAALVZGAA-OAHLLOKOSA-N -1 3 338.407 2.887 50 0 EFAAHM Cc1ccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3[O-])CC2=O)cc1 ZINC000082096867 473288035 /nfs/dbraw/zinc/28/80/35/473288035.db2.gz VXMKLRAALVZGAA-HNNXBMFYSA-N -1 3 338.407 2.887 50 0 EFAAHM O=c1[n-]c(NCc2nc(-c3ccccc3)cs2)nc2c1CCNC2 ZINC000082120120 473291958 /nfs/dbraw/zinc/29/19/58/473291958.db2.gz ORYZSYNEESOMMS-UHFFFAOYSA-N -1 3 339.424 2.564 50 0 EFAAHM Cc1nc(C2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc(=O)[n-]1 ZINC000082120283 473292981 /nfs/dbraw/zinc/29/29/81/473292981.db2.gz HSPVSRFZWOABJZ-KRWDZBQOSA-N -1 3 337.423 2.514 50 0 EFAAHM O=S(=O)([N-]CC[C@@H](O)c1cc2ccccc2o1)c1cccs1 ZINC000096097277 473294759 /nfs/dbraw/zinc/29/47/59/473294759.db2.gz KHTPDGGUSAXJSJ-GFCCVEGCSA-N -1 3 337.422 2.896 50 0 EFAAHM CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc2n[n-]nc2c1 ZINC000083012225 473310625 /nfs/dbraw/zinc/31/06/25/473310625.db2.gz MWIHUUMJTPMEOR-UHFFFAOYSA-N -1 3 327.413 2.565 50 0 EFAAHM Cc1ncc(C(=O)NCc2cccc(OCc3ccccc3)c2)c(=O)[n-]1 ZINC000096180870 473323546 /nfs/dbraw/zinc/32/35/46/473323546.db2.gz SCMHOEWFKDGHLA-UHFFFAOYSA-N -1 3 349.390 2.587 50 0 EFAAHM O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000096319405 473375032 /nfs/dbraw/zinc/37/50/32/473375032.db2.gz VJTZVYYNOKAGNU-RYLXDESZSA-N -1 3 348.402 2.797 50 0 EFAAHM O=C([O-])[C@@H]1[C@H](c2ccccc2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000096319404 473375300 /nfs/dbraw/zinc/37/53/00/473375300.db2.gz VJTZVYYNOKAGNU-TWFHAPMSSA-N -1 3 348.402 2.797 50 0 EFAAHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1F)c1cccc(F)c1 ZINC000096388383 473378202 /nfs/dbraw/zinc/37/82/02/473378202.db2.gz KVZVUJGZOQYSPI-AWEZNQCLSA-N -1 3 327.352 2.631 50 0 EFAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccccc2)N1 ZINC000000305766 471345967 /nfs/dbraw/zinc/34/59/67/471345967.db2.gz VHTISJNQXFZBLM-OAHLLOKOSA-N -1 3 344.333 2.951 50 0 EFAAHM Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@]2(O)C(F)(F)F)c1[O-] ZINC000000352139 471350975 /nfs/dbraw/zinc/35/09/75/471350975.db2.gz BKXSQRZARAOITK-ABAIWWIYSA-N -1 3 342.317 2.954 50 0 EFAAHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000000364447 471352062 /nfs/dbraw/zinc/35/20/62/471352062.db2.gz GSKCMVUKFWHUTJ-UHFFFAOYSA-N -1 3 325.773 2.927 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C ZINC000000382654 471354058 /nfs/dbraw/zinc/35/40/58/471354058.db2.gz TZACCUIIOJUTQH-UHFFFAOYSA-N -1 3 334.397 2.763 50 0 EFAAHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc21 ZINC000000428720 471359048 /nfs/dbraw/zinc/35/90/48/471359048.db2.gz BIRGTELIHIFUKR-UHFFFAOYSA-N -1 3 330.409 2.705 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2C)cc1 ZINC000000470929 471363945 /nfs/dbraw/zinc/36/39/45/471363945.db2.gz XKRSRKTUAIABSK-UHFFFAOYSA-N -1 3 349.408 2.981 50 0 EFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000000470757 471364275 /nfs/dbraw/zinc/36/42/75/471364275.db2.gz WMQHIRMXGSCDRM-UHFFFAOYSA-N -1 3 349.408 2.656 50 0 EFAAHM CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccc3[O-])cc2C1=O ZINC000000524445 471367683 /nfs/dbraw/zinc/36/76/83/471367683.db2.gz UESVDKVNQJSRAK-UHFFFAOYSA-N -1 3 338.363 2.897 50 0 EFAAHM O=C1[N-]C(=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1 ZINC000000547957 471370334 /nfs/dbraw/zinc/37/03/34/471370334.db2.gz MPQWYPLPWGUMJE-INIZCTEOSA-N -1 3 336.326 2.559 50 0 EFAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Br)c1 ZINC000000859782 471377547 /nfs/dbraw/zinc/37/75/47/471377547.db2.gz UGFLLEGDHNUYIX-UHFFFAOYSA-N -1 3 345.152 2.585 50 0 EFAAHM CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N([N-]C(=O)c1ccccc1Cl)C2=O ZINC000002068849 471401459 /nfs/dbraw/zinc/40/14/59/471401459.db2.gz ZFEKCCCOIAWWRF-DIFFPNOSSA-N -1 3 334.803 2.796 50 0 EFAAHM COC(=O)[C@]([N-]c1cccc(C)c1)(NC(=O)OC(C)C)C(F)(F)F ZINC000002270759 471403784 /nfs/dbraw/zinc/40/37/84/471403784.db2.gz ZFIIDASMDRQJMS-AWEZNQCLSA-N -1 3 348.321 2.973 50 0 EFAAHM CCOC(=O)[C@]([N-]c1cc(F)ccc1C)(NC(C)=O)C(F)(F)F ZINC000002257440 471403862 /nfs/dbraw/zinc/40/38/62/471403862.db2.gz ABCUGIPNPDOJQT-CYBMUJFWSA-N -1 3 336.285 2.504 50 0 EFAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1)(NC(C)=O)C(F)(F)F ZINC000002311389 471405597 /nfs/dbraw/zinc/40/55/97/471405597.db2.gz BDIYBZPIQHJJTQ-GFCCVEGCSA-N -1 3 338.713 2.710 50 0 EFAAHM [O-]c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F ZINC000002488752 471410077 /nfs/dbraw/zinc/41/00/77/471410077.db2.gz HLBJTFUNIFNVEQ-UHFFFAOYSA-N -1 3 326.274 2.833 50 0 EFAAHM CCn1cc(Cl)c(C(=O)[N-]c2ncn(Cc3ccccc3F)n2)n1 ZINC000002787083 471421187 /nfs/dbraw/zinc/42/11/87/471421187.db2.gz RCPCHZPDMVZYLB-UHFFFAOYSA-N -1 3 348.769 2.588 50 0 EFAAHM CCOC(=O)N(C)c1ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002900756 471427632 /nfs/dbraw/zinc/42/76/32/471427632.db2.gz ZGRXGRBZRPCWTD-AWEZNQCLSA-N -1 3 349.305 2.592 50 0 EFAAHM CCOC(=O)N(C)c1ccc([C@@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002900757 471427778 /nfs/dbraw/zinc/42/77/78/471427778.db2.gz ZGRXGRBZRPCWTD-CQSZACIVSA-N -1 3 349.305 2.592 50 0 EFAAHM CCCCN(C(C)=O)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003100044 471431871 /nfs/dbraw/zinc/43/18/71/471431871.db2.gz MLXRCUATNFUBRA-HNNXBMFYSA-N -1 3 347.333 2.763 50 0 EFAAHM Cn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccccc1 ZINC000004841689 471476576 /nfs/dbraw/zinc/47/65/76/471476576.db2.gz PXHOFBKHNSMPQM-UHFFFAOYSA-N -1 3 340.408 2.919 50 0 EFAAHM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCC(=O)N4CC3)cc1 ZINC000005153424 471488059 /nfs/dbraw/zinc/48/80/59/471488059.db2.gz SNILKZLRJDTYOP-UHFFFAOYSA-N -1 3 342.420 2.631 50 0 EFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000007708204 471632652 /nfs/dbraw/zinc/63/26/52/471632652.db2.gz FOZUHZKOAJIAPI-UHFFFAOYSA-N -1 3 346.408 2.623 50 0 EFAAHM CCc1nnc([N-]C(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)s1 ZINC000008021804 471656350 /nfs/dbraw/zinc/65/63/50/471656350.db2.gz GKCRBYCMSRECEC-UHFFFAOYSA-N -1 3 342.428 2.859 50 0 EFAAHM COc1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000008714788 471700238 /nfs/dbraw/zinc/70/02/38/471700238.db2.gz ORVLDCYMBARQSD-SNVBAGLBSA-N -1 3 348.326 2.977 50 0 EFAAHM O=C(Nc1ccc(Cl)cc1)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000014606961 471874704 /nfs/dbraw/zinc/87/47/04/471874704.db2.gz IQJVPECDEKDAQC-AWEZNQCLSA-N -1 3 342.786 2.635 50 0 EFAAHM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015587140 471910579 /nfs/dbraw/zinc/91/05/79/471910579.db2.gz VFOQKRCAGUAKTL-UHFFFAOYSA-N -1 3 334.372 2.519 50 0 EFAAHM Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1[O-] ZINC000015879992 471921244 /nfs/dbraw/zinc/92/12/44/471921244.db2.gz CKLNNLQSVRYZTC-UHFFFAOYSA-N -1 3 346.456 2.729 50 0 EFAAHM Cc1cc(C)cc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c1 ZINC000016002003 471923260 /nfs/dbraw/zinc/92/32/60/471923260.db2.gz UIOZDPTWVJDJDX-NVXWUHKLSA-N -1 3 338.338 2.735 50 0 EFAAHM CC[C@@H](Oc1ccc(Br)cc1)C(=O)[N-]C1=NCCS1 ZINC000016604591 471944045 /nfs/dbraw/zinc/94/40/45/471944045.db2.gz GBOPSOBPCUDXHC-LLVKDONJSA-N -1 3 343.246 2.826 50 0 EFAAHM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000017289026 471960068 /nfs/dbraw/zinc/96/00/68/471960068.db2.gz JDTKKDQBEKQVCS-UHFFFAOYSA-N -1 3 348.399 2.844 50 0 EFAAHM CC[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)OC ZINC000018056303 471967972 /nfs/dbraw/zinc/96/79/72/471967972.db2.gz DUTFCCNJYVVJGB-GFCCVEGCSA-N -1 3 344.396 2.565 50 0 EFAAHM [O-]c1cc(I)cc(I)c1 ZINC000034574148 471990311 /nfs/dbraw/zinc/99/03/11/471990311.db2.gz KYRNAIDRKAWDLJ-UHFFFAOYSA-N -1 3 345.905 2.601 50 0 EFAAHM CC[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=S)[nH]c2=O)N1 ZINC000020759748 471992687 /nfs/dbraw/zinc/99/26/87/471992687.db2.gz TYSKKCPATHSIQF-RTHLEPHNSA-N -1 3 342.424 2.633 50 0 biogenic EFAAHM CC(C)COC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccco1 ZINC000084544441 472190965 /nfs/dbraw/zinc/19/09/65/472190965.db2.gz JZZIDONNDICSCF-OAHLLOKOSA-N -1 3 328.372 2.695 50 0 EFAAHM CCN(CC)C(=O)c1c[n-]c2ccc(OC(F)(F)F)cc2c1=O ZINC000044891898 472348874 /nfs/dbraw/zinc/34/88/74/472348874.db2.gz IIOVKBWOJNRRSC-UHFFFAOYSA-N -1 3 328.290 2.909 50 0 EFAAHM COCc1nnc([N-]C(=O)c2csc(NCCC(C)C)n2)s1 ZINC000044902700 472351069 /nfs/dbraw/zinc/35/10/69/472351069.db2.gz QDNTWTLBAVUPQZ-UHFFFAOYSA-N -1 3 341.462 2.851 50 0 EFAAHM Cc1ccccc1N1CCCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000077302041 472496794 /nfs/dbraw/zinc/49/67/94/472496794.db2.gz LXNFUPSPSOCCIY-UHFFFAOYSA-N -1 3 335.411 2.619 50 0 EFAAHM Cc1ncc(C(=O)N2CCCC[C@@H]2CCc2cccs2)c(=O)[n-]1 ZINC000077322674 472503771 /nfs/dbraw/zinc/50/37/71/472503771.db2.gz WIKQTCWKACTLOH-CYBMUJFWSA-N -1 3 331.441 2.767 50 0 EFAAHM Cc1nc(C2CCN(c3noc(-c4ccccc4)n3)CC2)cc(=O)[n-]1 ZINC000077385522 472518074 /nfs/dbraw/zinc/51/80/74/472518074.db2.gz OZCOLLNNLHAKEO-UHFFFAOYSA-N -1 3 337.383 2.512 50 0 EFAAHM O=C([O-])c1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077455688 472529905 /nfs/dbraw/zinc/52/99/05/472529905.db2.gz QACRQSZOLMOMEW-FQEVSTJZSA-N -1 3 342.439 2.752 50 0 EFAAHM O=C(c1c[nH]c(=O)cc1[O-])N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071736163 472556342 /nfs/dbraw/zinc/55/63/42/472556342.db2.gz QVUVURNHIHKYRC-CYBMUJFWSA-N -1 3 344.386 2.705 50 0 EFAAHM O=C(c1c[nH]c(=O)cc1[O-])N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071736161 472556622 /nfs/dbraw/zinc/55/66/22/472556622.db2.gz QVUVURNHIHKYRC-ZDUSSCGKSA-N -1 3 344.386 2.705 50 0 EFAAHM COc1cccc(C[C@]2(C(=O)[O-])CCCN(Cc3cccnc3)C2)c1 ZINC000071721522 472556690 /nfs/dbraw/zinc/55/66/90/472556690.db2.gz PULZWFMYCIIPPF-HXUWFJFHSA-N -1 3 340.423 3.000 50 0 EFAAHM COc1cc(-c2nccn2[C@H]2CCCCNC2=O)cc(Cl)c1[O-] ZINC000071747356 472558103 /nfs/dbraw/zinc/55/81/03/472558103.db2.gz ZJJNCJOWNIIJTO-LBPRGKRZSA-N -1 3 335.791 2.759 50 0 EFAAHM Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000071763927 472562600 /nfs/dbraw/zinc/56/26/00/472562600.db2.gz XTTRWOCKWKNECP-INIZCTEOSA-N -1 3 339.439 2.872 50 0 EFAAHM Cc1cc(F)c2c(c1)CCCN2C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000077652879 472576686 /nfs/dbraw/zinc/57/66/86/472576686.db2.gz QSGRVBFRLYNUDE-UHFFFAOYSA-N -1 3 343.402 2.746 50 0 EFAAHM COc1ccc2nc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)ccc2c1 ZINC000071847839 472582565 /nfs/dbraw/zinc/58/25/65/472582565.db2.gz WBBDTDPEBCXYKL-UHFFFAOYSA-N -1 3 337.261 2.633 50 0 EFAAHM COc1ccc2nc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)ccc2c1 ZINC000071847839 472582569 /nfs/dbraw/zinc/58/25/69/472582569.db2.gz WBBDTDPEBCXYKL-UHFFFAOYSA-N -1 3 337.261 2.633 50 0 EFAAHM Cc1ccccc1-c1ccccc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000072144999 472631401 /nfs/dbraw/zinc/63/14/01/472631401.db2.gz YOBHECQUEDCVJY-UHFFFAOYSA-N -1 3 345.402 2.944 50 0 EFAAHM CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccsc1 ZINC000079501770 472875265 /nfs/dbraw/zinc/87/52/65/472875265.db2.gz UCUZHMYTFXYYBZ-UHFFFAOYSA-N -1 3 329.385 2.626 50 0 EFAAHM COc1cccc([C@@H]2CCN(Cc3ccc(C(=O)[O-])cc3)C[C@H]2O)c1 ZINC000065376403 472929807 /nfs/dbraw/zinc/92/98/07/472929807.db2.gz YJCZJJPQAXDTLM-RBUKOAKNSA-N -1 3 341.407 2.744 50 0 EFAAHM O=C([N-]c1nc2c(s1)C(=O)NCCC2)c1nc2ccccc2s1 ZINC000208005187 474127503 /nfs/dbraw/zinc/12/75/03/474127503.db2.gz LFXYPSRGHXOPKL-UHFFFAOYSA-N -1 3 344.421 2.681 50 0 EFAAHM Cc1nc(CNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)cc(=O)[n-]1 ZINC000223886265 474191352 /nfs/dbraw/zinc/19/13/52/474191352.db2.gz IADJXCCYJDXPMM-HNNXBMFYSA-N -1 3 336.395 2.708 50 0 EFAAHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000239119615 474543780 /nfs/dbraw/zinc/54/37/80/474543780.db2.gz IYAUJDXMNAZGAJ-OLUVUFQESA-N -1 3 327.306 2.581 50 0 EFAAHM COC(=O)C[C@@H](c1cccnc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253396317 474735667 /nfs/dbraw/zinc/73/56/67/474735667.db2.gz AZIHZPZVAASPFX-ZDUSSCGKSA-N -1 3 325.320 2.589 50 0 biogenic EFAAHM CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC000426544922 477719457 /nfs/dbraw/zinc/71/94/57/477719457.db2.gz DMTOBTYPBYEUNN-UHFFFAOYSA-N -1 3 344.386 2.843 50 0 EFAAHM O=C([O-])Cn1ccc([C@H]2CCCN(CCSc3ccccc3)C2)n1 ZINC000426580945 477722153 /nfs/dbraw/zinc/72/21/53/477722153.db2.gz JIGPFJHSFRLWKO-HNNXBMFYSA-N -1 3 345.468 2.939 50 0 EFAAHM CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1cc(=O)[n-]cn1 ZINC000534630541 478163184 /nfs/dbraw/zinc/16/31/84/478163184.db2.gz SIWIPFWTVNGLBS-OAHLLOKOSA-N -1 3 329.404 2.650 50 0 EFAAHM CCN(CC(F)(F)F)C(=O)c1ccc(-c2cc(=O)[n-]cn2)cc1 ZINC000584885825 479271349 /nfs/dbraw/zinc/27/13/49/479271349.db2.gz CITAEMZPTIDBIP-UHFFFAOYSA-N -1 3 325.290 2.874 50 0 EFAAHM CC[C@@H](NC(=O)c1cc([O-])cc(C(=O)OC)c1)c1ccc(C)cn1 ZINC000584888315 479273128 /nfs/dbraw/zinc/27/31/28/479273128.db2.gz PBXFHNGVUVCOOV-OAHLLOKOSA-N -1 3 328.368 2.763 50 0 EFAAHM CCc1noc(CN(CC)C(=O)N[C@@H](C)c2ccc([O-])c(F)c2)n1 ZINC000584900394 479276706 /nfs/dbraw/zinc/27/67/06/479276706.db2.gz VPYUUNLUNHTJPM-JTQLQIEISA-N -1 3 336.367 2.769 50 0 EFAAHM O=C(c1nnc([N-]c2ccc(OC(F)(F)F)cc2)o1)N1CCCC1 ZINC000585134316 479295561 /nfs/dbraw/zinc/29/55/61/479295561.db2.gz MVCNGNYBYUHMHA-UHFFFAOYSA-N -1 3 342.277 2.948 50 0 EFAAHM O=C(Nc1nc2c(s1)COCC2)c1c[n-]nc1-c1ccc(F)cc1 ZINC000076019753 527512073 /nfs/dbraw/zinc/51/20/73/527512073.db2.gz YLHVQNUQLAUCIA-UHFFFAOYSA-N -1 3 344.371 2.997 50 0 EFAAHM COc1ccccc1-c1ncc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)s1 ZINC000217119031 536972039 /nfs/dbraw/zinc/97/20/39/536972039.db2.gz YTQSLDKTMYFXKJ-NHAGDIPZSA-N -1 3 330.409 2.581 50 0 EFAAHM CC(C)[C@@H](CNC(=O)c1cc(=O)c2cccc(F)c2[n-]1)N1CCCC1 ZINC000670441789 547490224 /nfs/dbraw/zinc/49/02/24/547490224.db2.gz XEYVVTZKKZANMJ-MRXNPFEDSA-N -1 3 345.418 2.930 50 0 EFAAHM CC[C@@H]([N-]S(=O)(=O)c1c(C)n[nH]c1C)c1nc(C)c(C)s1 ZINC000670452033 547492659 /nfs/dbraw/zinc/49/26/59/547492659.db2.gz SZHAHOMFNCOVLD-LLVKDONJSA-N -1 3 328.463 2.529 50 0 EFAAHM C[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccc([O-])c(F)c1 ZINC000952970371 1284937347 /nfs/dbraw/zinc/93/73/47/1284937347.db2.gz RLSBEQIBBOYSTJ-CYBMUJFWSA-N -1 3 344.386 2.859 50 0 EFAAHM O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1cc(=O)[n-]cn1 ZINC000952967956 1284964505 /nfs/dbraw/zinc/96/45/05/1284964505.db2.gz AAKKTNLIYHIVNH-OAHLLOKOSA-N -1 3 337.379 2.808 50 0 EFAAHM CC[C@@H]1C=CCN1Cc1cc(-c2cnccn2)ccc1OCC(=O)[O-] ZINC001506402149 1405751751 /nfs/dbraw/zinc/75/17/51/1405751751.db2.gz IXSPCKGGGJCSLE-MRXNPFEDSA-N -1 3 339.395 2.757 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000004742534 210265860 /nfs/dbraw/zinc/26/58/60/210265860.db2.gz CODMWPOSTNYABN-UHFFFAOYSA-N -1 3 326.324 2.589 50 0 EFAAHM CCc1cc(Cl)ccc1NC(=O)NCCNc1nc(C)cc(=O)[n-]1 ZINC000097660320 219045879 /nfs/dbraw/zinc/04/58/79/219045879.db2.gz VDHKZGRPLHSIKO-UHFFFAOYSA-N -1 3 349.822 2.528 50 0 EFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000054748178 214253906 /nfs/dbraw/zinc/25/39/06/214253906.db2.gz IBWXRPZPJHVZBK-ZDUSSCGKSA-N -1 3 346.394 2.854 50 0 EFAAHM CCCn1c(=O)c(C(=O)Nc2ncccc2C)c([O-])c2c1CCCC2 ZINC000004684909 210247721 /nfs/dbraw/zinc/24/77/21/210247721.db2.gz KRFIQLUIYDCLDW-UHFFFAOYSA-N -1 3 341.411 2.798 50 0 EFAAHM CC1CCN(C(=O)C(=C([O-])c2ccccc2)n2ccccc2=O)CC1 ZINC000004592842 210228938 /nfs/dbraw/zinc/22/89/38/210228938.db2.gz WEFMVMBKWPVLNN-GOSISDBHSA-N -1 3 338.407 2.531 50 0 EFAAHM CC(=O)C(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)=C(C)[O-] ZINC000100712430 219104924 /nfs/dbraw/zinc/10/49/24/219104924.db2.gz UWGJWBOJXKQYLV-UHFFFAOYSA-N -1 3 340.408 2.738 50 0 EFAAHM CCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)=C2[O-])cc1 ZINC000101026372 219114439 /nfs/dbraw/zinc/11/44/39/219114439.db2.gz GOFABEGNOJDTOE-MRXNPFEDSA-N -1 3 326.352 2.613 50 0 EFAAHM Cc1cccn2c(=O)c(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c([O-])nc12 ZINC000101063697 219115416 /nfs/dbraw/zinc/11/54/16/219115416.db2.gz CCNAIJUEKRKYKX-WCQYABFASA-N -1 3 343.427 2.653 50 0 EFAAHM Cc1cccn2c(=O)c(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c([O-])nc12 ZINC000101063703 219115469 /nfs/dbraw/zinc/11/54/69/219115469.db2.gz CCNAIJUEKRKYKX-DGCLKSJQSA-N -1 3 343.427 2.653 50 0 EFAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101113214 219115916 /nfs/dbraw/zinc/11/59/16/219115916.db2.gz GFTMSRRRMHVJGP-WBVHZDCISA-N -1 3 338.338 2.735 50 0 EFAAHM CCCOc1cccc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000004178926 210140503 /nfs/dbraw/zinc/14/05/03/210140503.db2.gz MDTACKPUEBRCEB-CQSZACIVSA-N -1 3 330.306 2.948 50 0 EFAAHM CCC[C@@H](C)[C@]1(CC)C(=O)N=C(Nc2ccccc2OC)[N-]C1=O ZINC000004030118 210105238 /nfs/dbraw/zinc/10/52/38/210105238.db2.gz PLOQXXAFFUDKTF-GFCCVEGCSA-N -1 3 331.416 2.952 50 0 EFAAHM CC(C)Cc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)no1 ZINC000067677704 215182939 /nfs/dbraw/zinc/18/29/39/215182939.db2.gz ADDPEQUTNLNOJU-UHFFFAOYSA-N -1 3 325.368 2.645 50 0 EFAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1ccncc1C)C2 ZINC000067695217 215187577 /nfs/dbraw/zinc/18/75/77/215187577.db2.gz VDEYFQJONDPGQK-HNNXBMFYSA-N -1 3 342.443 2.684 50 0 EFAAHM COc1cc(C(=O)N2CCC(CCn3cccn3)CC2)ccc1[O-] ZINC000067955301 215259591 /nfs/dbraw/zinc/25/95/91/215259591.db2.gz XSAWPXGBGLFTHZ-UHFFFAOYSA-N -1 3 329.400 2.540 50 0 EFAAHM Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cn1 ZINC000079480146 282682300 /nfs/dbraw/zinc/68/23/00/282682300.db2.gz UWSHRYFTIDSGKI-CYBMUJFWSA-N -1 3 333.417 2.862 50 0 EFAAHM CCOC(=O)[C@]([N-]c1cccc(F)c1)(NC(=O)CC)C(F)(F)F ZINC000002333956 209841044 /nfs/dbraw/zinc/84/10/44/209841044.db2.gz SDCITZKNMYEWKU-ZDUSSCGKSA-N -1 3 336.285 2.586 50 0 EFAAHM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000040448403 213304914 /nfs/dbraw/zinc/30/49/14/213304914.db2.gz WZXFCLVBUXTWRS-UHFFFAOYSA-N -1 3 334.416 2.631 50 0 biogenic EFAAHM Cc1cc([N-]C(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)on1 ZINC000038670939 213219395 /nfs/dbraw/zinc/21/93/95/213219395.db2.gz ZGIYYQSIZHJGAR-LLVKDONJSA-N -1 3 342.330 2.546 50 0 EFAAHM COc1ccnc(CN2CC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1OC ZINC000072133513 216022393 /nfs/dbraw/zinc/02/23/93/216022393.db2.gz YGDAOXRSEVDPCR-HNNXBMFYSA-N -1 3 342.395 2.787 50 0 EFAAHM O=C(c1cccc([O-])c1)N1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000072144253 216030654 /nfs/dbraw/zinc/03/06/54/216030654.db2.gz ZMMAMTXSMZGYQV-IBGZPJMESA-N -1 3 336.435 2.708 50 0 EFAAHM C[C@@]1(O)CCN(C(=O)c2cccc([O-])c2)C[C@@H]1Cc1ccccc1 ZINC000072150215 216038589 /nfs/dbraw/zinc/03/85/89/216038589.db2.gz GNEQMSDZHSMKMM-FXAWDEMLSA-N -1 3 325.408 2.848 50 0 EFAAHM CCc1nn(C)c(Cl)c1CN1CCC(c2cc(=O)[n-]c(C)n2)CC1 ZINC000072152126 216040978 /nfs/dbraw/zinc/04/09/78/216040978.db2.gz ARXUUZTUFJIURP-UHFFFAOYSA-N -1 3 349.866 2.820 50 0 EFAAHM O=C([O-])c1ccnc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072164271 216053213 /nfs/dbraw/zinc/05/32/13/216053213.db2.gz JKAAYFFVFAKBQU-MISYRCLQSA-N -1 3 349.434 2.846 50 0 EFAAHM Cc1cc2sc(N)nc2c([N-]S(=O)(=O)NCc2ccccc2)c1 ZINC000072169733 216060788 /nfs/dbraw/zinc/06/07/88/216060788.db2.gz GVYDPXGVZRKESI-UHFFFAOYSA-N -1 3 348.453 2.633 50 0 EFAAHM O=C([O-])[C@H]1c2nc[nH]c2CCN1Cc1cccc(C(F)(F)F)c1 ZINC000072407319 216198814 /nfs/dbraw/zinc/19/88/14/216198814.db2.gz BHWGXEAHBGINLO-CYBMUJFWSA-N -1 3 325.290 2.613 50 0 EFAAHM Cc1cc(C)cc(N2CCN(C(=O)c3cccc(C)c3[O-])CC2=O)c1 ZINC000072426581 216217796 /nfs/dbraw/zinc/21/77/96/216217796.db2.gz SHMIFEVLPJUFCJ-UHFFFAOYSA-N -1 3 338.407 2.806 50 0 EFAAHM Cc1oc(-c2cccs2)nc1CN1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000072434553 216229161 /nfs/dbraw/zinc/22/91/61/216229161.db2.gz OXUAOUCTPYLEHK-AWEZNQCLSA-N -1 3 344.396 2.619 50 0 EFAAHM Cc1ccc(OC2(C(=O)[O-])CCN(Cc3ccsc3)CC2)cn1 ZINC000072469367 216249180 /nfs/dbraw/zinc/24/91/80/216249180.db2.gz FKURQDGJMWWGRF-UHFFFAOYSA-N -1 3 332.425 2.950 50 0 EFAAHM Cc1c[nH]c(CN(C)Cc2cccc(-c3nc(C)c(C)c(=O)[n-]3)c2)n1 ZINC000023544008 212383201 /nfs/dbraw/zinc/38/32/01/212383201.db2.gz HQNIWZUJCAYWEB-UHFFFAOYSA-N -1 3 337.427 2.717 50 0 EFAAHM O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000023399754 212375924 /nfs/dbraw/zinc/37/59/24/212375924.db2.gz LKKYKHHEUPNTLX-ZDUSSCGKSA-N -1 3 343.452 2.730 50 0 EFAAHM O=C(C[C@@H]1CCc2ccccc21)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000023399761 212376009 /nfs/dbraw/zinc/37/60/09/212376009.db2.gz PALYJAJRXNLSOV-INIZCTEOSA-N -1 3 337.423 2.596 50 0 EFAAHM O=S(=O)([N-]CC[C@@H](O)c1cccc(Cl)c1)c1ccccc1F ZINC000225611412 240231727 /nfs/dbraw/zinc/23/17/27/240231727.db2.gz MZKJHNRCUOKTEG-CQSZACIVSA-N -1 3 343.807 2.881 50 0 EFAAHM Cc1nccc(C2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)n1 ZINC000216176848 241173142 /nfs/dbraw/zinc/17/31/42/241173142.db2.gz JJKDOFDRSDWVTO-UHFFFAOYSA-N -1 3 341.411 2.628 50 0 EFAAHM Cc1nccc(C2CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)CC2)n1 ZINC000215369335 241122329 /nfs/dbraw/zinc/12/23/29/241122329.db2.gz FVKCTXKKYLIFLE-UHFFFAOYSA-N -1 3 348.406 2.646 50 0 EFAAHM Cc1cccc(-c2cccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])N(C)C3)c2)c1 ZINC000244787708 243081009 /nfs/dbraw/zinc/08/10/09/243081009.db2.gz QCCXDRUCLKTPFL-ROUUACIJSA-N -1 3 338.407 2.549 50 0 EFAAHM O=C(CCSCc1ccccc1)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1 ZINC000253535212 244008369 /nfs/dbraw/zinc/00/83/69/244008369.db2.gz HPOTYIJTXAIXBB-SHTZXODSSA-N -1 3 343.452 2.868 50 0 EFAAHM O=C(CC1=CCCC1)N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000253535579 244009147 /nfs/dbraw/zinc/00/91/47/244009147.db2.gz GQKHKIYVFWQOEF-GASCZTMLSA-N -1 3 342.443 2.645 50 0 EFAAHM O=C(Nc1ccc(Br)cc1)C(=O)Nc1ccccc1[O-] ZINC000019910900 212082528 /nfs/dbraw/zinc/08/25/28/212082528.db2.gz XDXPOYRPQUTQAH-UHFFFAOYSA-N -1 3 335.157 2.732 50 0 EFAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000352586 304151201 /nfs/dbraw/zinc/15/12/01/304151201.db2.gz MDXJJOKTGDJRNN-WMLDXEAASA-N -1 3 336.347 2.585 50 0 biogenic EFAAHM O=c1cc(C2CC2)nc(-c2ccc(CN3CCCOCC3)cc2)[n-]1 ZINC000019853206 212076863 /nfs/dbraw/zinc/07/68/63/212076863.db2.gz UOTQHHLBBYJMOY-UHFFFAOYSA-N -1 3 325.412 2.537 50 0 EFAAHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OC ZINC000016552638 211912207 /nfs/dbraw/zinc/91/22/07/211912207.db2.gz KKPVEQUANGXUOP-UHFFFAOYSA-N -1 3 334.397 2.845 50 0 EFAAHM [O-]c1cccc(CN2CCC[C@@H](c3ccn(CCO)n3)C2)c1Cl ZINC000426389869 247274690 /nfs/dbraw/zinc/27/46/90/247274690.db2.gz QECUEAIMKBCYJF-CYBMUJFWSA-N -1 3 335.835 2.614 50 0 EFAAHM COCc1cc(C)ncc1-c1cc(=O)[n-]c(-c2ccc(OC)cc2)n1 ZINC000012445246 211385107 /nfs/dbraw/zinc/38/51/07/211385107.db2.gz HEWKMYITMNCNII-UHFFFAOYSA-N -1 3 337.379 2.962 50 0 EFAAHM Cc1nnc(=O)[n-]c1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000011990582 211275321 /nfs/dbraw/zinc/27/53/21/211275321.db2.gz ACJJUBFXFIEDDX-UHFFFAOYSA-N -1 3 345.211 2.923 50 0 EFAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1snnc1C)CCC2 ZINC000011914142 211267792 /nfs/dbraw/zinc/26/77/92/211267792.db2.gz HSJFKXCKMPGNRJ-UHFFFAOYSA-N -1 3 337.426 2.826 50 0 EFAAHM Cc1cc2nc(CN3CCC[C@@](C)(c4ccccc4)C3)cc(=O)n2[n-]1 ZINC000091526846 218018444 /nfs/dbraw/zinc/01/84/44/218018444.db2.gz SDLDPOSSORTMNE-HXUWFJFHSA-N -1 3 336.439 2.885 50 0 EFAAHM COCCC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(OC)c2)C1 ZINC000091780525 218065129 /nfs/dbraw/zinc/06/51/29/218065129.db2.gz KTNLNCJUQJMPHU-SFHVURJKSA-N -1 3 339.407 2.928 50 0 EFAAHM COCC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000092038105 218107979 /nfs/dbraw/zinc/10/79/79/218107979.db2.gz KQHBOGSOTWBHKZ-OAHLLOKOSA-N -1 3 346.349 2.804 50 0 EFAAHM Cc1ncc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(=O)[n-]1 ZINC000092061972 218111455 /nfs/dbraw/zinc/11/14/55/218111455.db2.gz UJDHOUSAJPBSEZ-UHFFFAOYSA-N -1 3 347.418 2.963 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000009828274 211125280 /nfs/dbraw/zinc/12/52/80/211125280.db2.gz UWLSIWCECJRCDZ-UHFFFAOYSA-N -1 3 346.408 2.689 50 0 EFAAHM C[C@@H](CCc1ccccc1)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009356023 211073551 /nfs/dbraw/zinc/07/35/51/211073551.db2.gz DRWZZUVQIFDCPC-AWEZNQCLSA-N -1 3 346.452 2.809 50 0 EFAAHM O=C(c1ccc2n[n-]nc2c1)N1CC(Oc2ccccc2Cl)C1 ZINC000095358241 218291703 /nfs/dbraw/zinc/29/17/03/218291703.db2.gz GQUOWURKONTUBH-UHFFFAOYSA-N -1 3 328.759 2.515 50 0 EFAAHM CCc1cccc(OC2CN(C(=O)c3ccc(OC)cc3[O-])C2)c1 ZINC000095369740 218302788 /nfs/dbraw/zinc/30/27/88/218302788.db2.gz QYGRTEVGHJYLAM-UHFFFAOYSA-N -1 3 327.380 2.867 50 0 EFAAHM O=S(=O)([N-]C[C@@H](c1ccsc1)N1CCCC1)c1cccs1 ZINC000008899522 211015618 /nfs/dbraw/zinc/01/56/18/211015618.db2.gz LUDYPBFZGUBPIZ-ZDUSSCGKSA-N -1 3 342.511 2.925 50 0 EFAAHM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc21 ZINC000004867408 210307499 /nfs/dbraw/zinc/30/74/99/210307499.db2.gz LJQXEDZRWSATHD-UHFFFAOYSA-N -1 3 338.772 2.586 50 0 EFAAHM O=C(CCCCCNC(=O)c1ccccc1)[N-]C(=O)c1ccccc1 ZINC000004753361 210270177 /nfs/dbraw/zinc/27/01/77/210270177.db2.gz VDUSQJUGVGXYDF-UHFFFAOYSA-N -1 3 338.407 2.933 50 0 EFAAHM CC(C)Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)[n-]c(=O)n1 ZINC000299785201 258092315 /nfs/dbraw/zinc/09/23/15/258092315.db2.gz JPPHTZRHFOPRBV-INIZCTEOSA-N -1 3 341.411 2.674 50 0 EFAAHM COc1cccc(CN(C)CCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000299799163 258102937 /nfs/dbraw/zinc/10/29/37/258102937.db2.gz DPZXMKNWDIKUDT-UHFFFAOYSA-N -1 3 348.424 2.916 50 0 EFAAHM Cc1ccc(OC[C@@H]2CCCN(C(=O)c3c[nH]c(=O)cc3[O-])C2)cc1 ZINC000299800364 258103763 /nfs/dbraw/zinc/10/37/63/258103763.db2.gz WGZXCVDZJOSVJG-CQSZACIVSA-N -1 3 342.395 2.732 50 0 EFAAHM CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000072477866 258064643 /nfs/dbraw/zinc/06/46/43/258064643.db2.gz OTRNMBIXPJCWRT-UHFFFAOYSA-N -1 3 339.370 2.918 50 0 EFAAHM COc1cccc(CN2CCC[C@@H](Nc3ncccc3C(=O)[O-])C2)c1 ZINC000072477828 258064723 /nfs/dbraw/zinc/06/47/23/258064723.db2.gz KPCIKMPZZPNLPP-OAHLLOKOSA-N -1 3 341.411 2.865 50 0 EFAAHM CC[C@@H](NC(=O)c1cc(CC(C)C)nc(=O)[n-]1)c1ncccc1C ZINC000299755654 258074504 /nfs/dbraw/zinc/07/45/04/258074504.db2.gz BIWOWLZXCGBZBG-CQSZACIVSA-N -1 3 328.416 2.965 50 0 EFAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000095478066 296526104 /nfs/dbraw/zinc/52/61/04/296526104.db2.gz NCSMSJLOQLSGMV-HNNXBMFYSA-N -1 3 345.424 2.952 50 0 EFAAHM COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCc3ccccc3C2)c1 ZINC000095355342 286343106 /nfs/dbraw/zinc/34/31/06/286343106.db2.gz LXTZXYRAXDUULG-SFHVURJKSA-N -1 3 327.380 2.888 50 0 EFAAHM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cccs1 ZINC000048673949 544447784 /nfs/dbraw/zinc/44/77/84/544447784.db2.gz TVSMLAZFJINCAP-VIFPVBQESA-N -1 3 333.866 2.873 50 0 EFAAHM COc1cc([O-])c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000015122159 274097812 /nfs/dbraw/zinc/09/78/12/274097812.db2.gz SFOMHAXOBRLRFH-CYBMUJFWSA-N -1 3 325.364 2.882 50 0 biogenic EFAAHM COc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000000352157 278007702 /nfs/dbraw/zinc/00/77/02/278007702.db2.gz QLOFJRJIVNIGEZ-IUODEOHRSA-N -1 3 342.317 2.948 50 0 EFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3c(s1)CCCCC3)C2 ZINC000072154780 279110584 /nfs/dbraw/zinc/11/05/84/279110584.db2.gz FJWUMIBOHCGJMU-UHFFFAOYSA-N -1 3 343.452 2.607 50 0 EFAAHM O=C(COc1ccccc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000000350759 279786411 /nfs/dbraw/zinc/78/64/11/279786411.db2.gz FCAOAUIDNHIKDJ-DOMZBBRYSA-N -1 3 342.317 2.705 50 0 EFAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)Nc3nc(C)c(C)s3)co2)no1 ZINC000090583232 280373519 /nfs/dbraw/zinc/37/35/19/280373519.db2.gz ITDJQYBBERJDGE-UHFFFAOYSA-N -1 3 347.356 2.549 50 0 EFAAHM Cc1csc2nc([O-])c(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c(=O)n12 ZINC000010166698 293076205 /nfs/dbraw/zinc/07/62/05/293076205.db2.gz CNUSAZUMWFVHSP-KOLCDFICSA-N -1 3 349.456 2.715 50 0 EFAAHM Nc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000000436098 295351459 /nfs/dbraw/zinc/35/14/59/295351459.db2.gz UQIAOINDLAFVMA-RISCZKNCSA-N -1 3 327.306 2.522 50 0 EFAAHM O=C(Nc1nc2ccccc2s1)c1c(=O)[nH]c2c(c1[O-])CCCC2 ZINC000006813981 462706440 /nfs/dbraw/zinc/70/64/40/462706440.db2.gz QBCJHLKNWDRWAE-UHFFFAOYSA-N -1 3 341.392 2.821 50 0 EFAAHM COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(C)cc(=O)c1[O-] ZINC000095475241 473211320 /nfs/dbraw/zinc/21/13/20/473211320.db2.gz RTUMSLUQGBHEPI-SECBINFHSA-N -1 3 342.269 2.766 50 0 EFAAHM Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(C)cc3[O-])CC2=O)cc1 ZINC000082107691 473288448 /nfs/dbraw/zinc/28/84/48/473288448.db2.gz LKNYXRXGNIODRX-OAHLLOKOSA-N -1 3 338.407 2.887 50 0 EFAAHM Cc1cccc(N2C[C@@H](C)N(C(=O)c3cc(C)ccc3[O-])CC2=O)c1 ZINC000082146174 473296200 /nfs/dbraw/zinc/29/62/00/473296200.db2.gz XYVBYBXLXGGPBA-OAHLLOKOSA-N -1 3 338.407 2.887 50 0 EFAAHM Cc1cccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3[O-])CC2=O)c1 ZINC000082146170 473296499 /nfs/dbraw/zinc/29/64/99/473296499.db2.gz XYVBYBXLXGGPBA-HNNXBMFYSA-N -1 3 338.407 2.887 50 0 EFAAHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc(F)c1)C(=O)C2 ZINC000000142866 471328027 /nfs/dbraw/zinc/32/80/27/471328027.db2.gz CGOQBYWIPREIDA-BDJLRTHQSA-N -1 3 325.405 2.963 50 0 EFAAHM CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2C1=O ZINC000000312774 471347227 /nfs/dbraw/zinc/34/72/27/471347227.db2.gz SZAXMFIHEHZNTE-UHFFFAOYSA-N -1 3 330.727 2.524 50 0 EFAAHM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2[O-])cc1 ZINC000000438355 471359657 /nfs/dbraw/zinc/35/96/57/471359657.db2.gz SCFYBXPGXIWVOW-DHZHZOJOSA-N -1 3 328.393 2.927 50 0 EFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(Cl)c(Cl)c2)S1 ZINC000000448676 471361461 /nfs/dbraw/zinc/36/14/61/471361461.db2.gz LWQFPVYFAAPMTF-LLVKDONJSA-N -1 3 332.212 2.994 50 0 EFAAHM O=C(NCc1ccccc1)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000000819440 471377522 /nfs/dbraw/zinc/37/75/22/471377522.db2.gz WCKKRCFWPGOFLT-IBGZPJMESA-N -1 3 346.386 2.589 50 0 EFAAHM COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1cccc([O-])c1 ZINC000001460523 471392585 /nfs/dbraw/zinc/39/25/85/471392585.db2.gz HGGSEZWHAVSYNG-HNNXBMFYSA-N -1 3 328.320 2.894 50 0 EFAAHM CCOCCC[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000002065775 471401711 /nfs/dbraw/zinc/40/17/11/471401711.db2.gz IHBSFLOIIYBKKK-UHFFFAOYSA-N -1 3 342.244 2.707 50 0 EFAAHM CCOC(=O)[C@@]([N-]c1cccc(C)c1)(NC(=O)CC)C(F)(F)F ZINC000002306324 471405520 /nfs/dbraw/zinc/40/55/20/471405520.db2.gz YHJIVWWDGFPUJY-CQSZACIVSA-N -1 3 332.322 2.755 50 0 EFAAHM Cc1cc(C(F)F)n2nc(C(=O)[N-]c3cc(F)ccc3F)nc2n1 ZINC000002768230 471419869 /nfs/dbraw/zinc/41/98/69/471419869.db2.gz ANQRQKBPBJXJHQ-UHFFFAOYSA-N -1 3 339.252 2.901 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000005329180 471499722 /nfs/dbraw/zinc/49/97/22/471499722.db2.gz JWLQBPAFYBNJKK-UHFFFAOYSA-N -1 3 346.408 2.623 50 0 EFAAHM CCOc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000006266972 471538681 /nfs/dbraw/zinc/53/86/81/471538681.db2.gz CRWHMMSCBRXWND-UHFFFAOYSA-N -1 3 334.397 2.709 50 0 EFAAHM CC(C)Cn1c(=O)c(C(=O)Nc2ccncc2)c([O-])c2c1CCCC2 ZINC000006493099 471547099 /nfs/dbraw/zinc/54/70/99/471547099.db2.gz DEZCZDRBFYTGEQ-UHFFFAOYSA-N -1 3 341.411 2.736 50 0 EFAAHM Cc1ccc2[nH]c(SCC(=O)[N-]C(=O)c3ccccc3)nc2c1 ZINC000006506728 471548548 /nfs/dbraw/zinc/54/85/48/471548548.db2.gz URPCOPKYEXKJPE-UHFFFAOYSA-N -1 3 325.393 2.920 50 0 EFAAHM Cc1ccc2nc(SCC(=O)[N-]C(=O)c3ccccc3)[nH]c2c1 ZINC000006506728 471548551 /nfs/dbraw/zinc/54/85/51/471548551.db2.gz URPCOPKYEXKJPE-UHFFFAOYSA-N -1 3 325.393 2.920 50 0 EFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000006706449 471561897 /nfs/dbraw/zinc/56/18/97/471561897.db2.gz LBHRWFVNHRGJJL-UHFFFAOYSA-N -1 3 348.424 2.869 50 0 EFAAHM Cc1sc2[n-]c(CS(=O)(=O)c3ccc(C)cc3)nc(=O)c2c1C ZINC000008715535 471701598 /nfs/dbraw/zinc/70/15/98/471701598.db2.gz FUGXOUOOTSEOTL-UHFFFAOYSA-N -1 3 348.449 2.884 50 0 EFAAHM COc1ccc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000013153233 471819123 /nfs/dbraw/zinc/81/91/23/471819123.db2.gz GSMSVQXSXGHSFU-UHFFFAOYSA-N -1 3 330.369 2.804 50 0 EFAAHM COc1ccc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000013153233 471819127 /nfs/dbraw/zinc/81/91/27/471819127.db2.gz GSMSVQXSXGHSFU-UHFFFAOYSA-N -1 3 330.369 2.804 50 0 EFAAHM COc1ccc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000013153233 471819130 /nfs/dbraw/zinc/81/91/30/471819130.db2.gz GSMSVQXSXGHSFU-UHFFFAOYSA-N -1 3 330.369 2.804 50 0 EFAAHM CCOc1cc(Br)cc(C=C2SC(=O)[N-]C2=O)c1O ZINC000017293205 471959773 /nfs/dbraw/zinc/95/97/73/471959773.db2.gz POQSLJJYFGNMIW-WTKPLQERSA-N -1 3 344.186 2.877 50 0 EFAAHM COc1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(OC)c1 ZINC000016579793 471941595 /nfs/dbraw/zinc/94/15/95/471941595.db2.gz FMYLILHTYZOFEC-UHFFFAOYSA-N -1 3 325.361 2.785 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(N)=O ZINC000016622620 471944450 /nfs/dbraw/zinc/94/44/50/471944450.db2.gz QPFJGKGBCAFHGB-UHFFFAOYSA-N -1 3 348.424 2.520 50 0 EFAAHM CCOc1ccc2nc(NC(=O)c3cc(=O)c(OC)c[n-]3)sc2c1 ZINC000016848095 471950626 /nfs/dbraw/zinc/95/06/26/471950626.db2.gz KSLDRCNDTNMONC-UHFFFAOYSA-N -1 3 345.380 2.644 50 0 EFAAHM CC[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2c([O-])[nH]c(=S)[nH]c2=O)N1 ZINC000020759745 471992114 /nfs/dbraw/zinc/99/21/14/471992114.db2.gz TYSKKCPATHSIQF-CLAHSXSESA-N -1 3 342.424 2.633 50 0 biogenic EFAAHM COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc(Br)c1[O-] ZINC000023114910 472026327 /nfs/dbraw/zinc/02/63/27/472026327.db2.gz FJHGLZCTEJNHPV-AOOOYVTPSA-N -1 3 330.222 2.773 50 0 EFAAHM CC(C)COC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccco1 ZINC000084544440 472191523 /nfs/dbraw/zinc/19/15/23/472191523.db2.gz JZZIDONNDICSCF-HNNXBMFYSA-N -1 3 328.372 2.695 50 0 EFAAHM CCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000028497990 472227857 /nfs/dbraw/zinc/22/78/57/472227857.db2.gz KQQRTPWCNGTHMS-UHFFFAOYSA-N -1 3 336.251 2.926 50 0 EFAAHM O=C([N-]c1cccc2nsnc21)c1csc(-c2cnccn2)n1 ZINC000044123724 472286121 /nfs/dbraw/zinc/28/61/21/472286121.db2.gz MOPKNLSNRYJVDZ-UHFFFAOYSA-N -1 3 340.393 2.857 50 0 EFAAHM Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)[n-]c(=O)c2[nH]1 ZINC000057520842 472447159 /nfs/dbraw/zinc/44/71/59/472447159.db2.gz PAVLWZQDVKDBOD-UHFFFAOYSA-N -1 3 346.456 2.658 50 0 EFAAHM COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000071282720 472545945 /nfs/dbraw/zinc/54/59/45/472545945.db2.gz LHKRCKYTYZGIKW-GFCCVEGCSA-N -1 3 329.356 2.668 50 0 EFAAHM O=C([N-]c1cc(-n2cccn2)ncn1)c1cc(-c2ccccc2)on1 ZINC000090614175 472643530 /nfs/dbraw/zinc/64/35/30/472643530.db2.gz RAZRAWWUQQVLPE-UHFFFAOYSA-N -1 3 332.323 2.570 50 0 EFAAHM CCCCc1cc(=O)[n-]c(-c2ccc(CN(C)CCOC)cc2)n1 ZINC000048179605 472827375 /nfs/dbraw/zinc/82/73/75/472827375.db2.gz KGGMNPMHIMTXDB-UHFFFAOYSA-N -1 3 329.444 2.858 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](O)C2)c(Cl)cc1Cl ZINC000075156932 473141748 /nfs/dbraw/zinc/14/17/48/473141748.db2.gz ZAEPYDRBVHBTFO-VHSXEESVSA-N -1 3 338.256 2.884 50 0 EFAAHM O=C([N-]c1nc(-c2ccco2)cs1)c1coc(NC(=O)C2CC2)n1 ZINC000075157927 473142026 /nfs/dbraw/zinc/14/20/26/473142026.db2.gz ZFXUJKOQLKPMEC-UHFFFAOYSA-N -1 3 344.352 2.992 50 0 EFAAHM O=C([O-])c1ccc([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)cc1 ZINC000095382419 473193442 /nfs/dbraw/zinc/19/34/42/473193442.db2.gz NAAVZPRDWIHTOG-QGZVFWFLSA-N -1 3 330.428 2.577 50 0 EFAAHM CCO[C@H]1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])C[C@@H]1O ZINC000223299965 474182165 /nfs/dbraw/zinc/18/21/65/474182165.db2.gz YNNUZHZXZZCSPS-IRXDYDNUSA-N -1 3 335.444 2.861 50 0 EFAAHM Cc1nc(CNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)cc(=O)[n-]1 ZINC000223886231 474192024 /nfs/dbraw/zinc/19/20/24/474192024.db2.gz IADJXCCYJDXPMM-OAHLLOKOSA-N -1 3 336.395 2.708 50 0 EFAAHM O=S(=O)([N-]C[C@@H](O)c1csc2ccccc12)c1cccs1 ZINC000225695507 474236956 /nfs/dbraw/zinc/23/69/56/474236956.db2.gz BJAVEEYFUFZEDF-GFCCVEGCSA-N -1 3 339.463 2.975 50 0 EFAAHM O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccc([O-])c1 ZINC000252552065 474697371 /nfs/dbraw/zinc/69/73/71/474697371.db2.gz UNEZLFDXTNMXBM-HHXXYDBFSA-N -1 3 339.391 2.569 50 0 EFAAHM O=S(=O)([N-]CCn1cc(-c2ccccc2)cn1)c1cccs1 ZINC000253472562 474759667 /nfs/dbraw/zinc/75/96/67/474759667.db2.gz NOPCESGAWJSTES-UHFFFAOYSA-N -1 3 333.438 2.590 50 0 EFAAHM Cc1ccccc1-c1cccc(C(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000426667165 477735708 /nfs/dbraw/zinc/73/57/08/477735708.db2.gz WUOWVTAEJHNODI-UHFFFAOYSA-N -1 3 340.423 2.750 50 0 EFAAHM O=C([O-])COc1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000534642852 478164613 /nfs/dbraw/zinc/16/46/13/478164613.db2.gz WHDZUJJKHMODMV-SFHVURJKSA-N -1 3 327.380 2.803 50 0 EFAAHM COc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1-c1nnn[n-]1 ZINC000575444468 479446821 /nfs/dbraw/zinc/44/68/21/479446821.db2.gz FHJXTWYDLNRASH-HNNXBMFYSA-N -1 3 340.387 2.513 50 0 EFAAHM COc1ccc(NC(=O)[C@H](C(C)C)n2cccc2)cc1-c1nn[n-]n1 ZINC000575444468 479446829 /nfs/dbraw/zinc/44/68/29/479446829.db2.gz FHJXTWYDLNRASH-HNNXBMFYSA-N -1 3 340.387 2.513 50 0 EFAAHM O=S(=O)([N-]CC[C@@H](CCO)c1cccs1)c1cccs1 ZINC000575608523 479451192 /nfs/dbraw/zinc/45/11/92/479451192.db2.gz VJCAZRIJJTWUHC-NSHDSACASA-N -1 3 331.484 2.644 50 0 EFAAHM CCCc1cc(C[N-]S(=O)(=O)c2cc(OC)c(C)cc2C)on1 ZINC000670473290 547496467 /nfs/dbraw/zinc/49/64/67/547496467.db2.gz KJEQKBRIJRTOFN-UHFFFAOYSA-N -1 3 338.429 2.731 50 0 EFAAHM C[C@@H](Oc1ccc(CNCc2ccc3nsnc3c2)cc1)C(=O)[O-] ZINC000952978007 1284953288 /nfs/dbraw/zinc/95/32/88/1284953288.db2.gz JRKWKLISFNOHHC-LLVKDONJSA-N -1 3 343.408 2.833 50 0 EFAAHM [O-]c1ccc(Cl)c(CNCCN2CCCC[C@H]2CO)c1Cl ZINC000952989907 1284994216 /nfs/dbraw/zinc/99/42/16/1284994216.db2.gz YXWYSKXSAYIIPA-NSHDSACASA-N -1 3 333.259 2.635 50 0 EFAAHM Cc1nc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)[n-]1 ZINC000082039342 1109772479 /nfs/dbraw/zinc/77/24/79/1109772479.db2.gz HIRACDVIDLTRII-UHFFFAOYSA-N -1 3 337.832 2.813 50 0 EFAAHM O=c1[n-]c(SCc2ccc(C(F)(F)F)cc2)nc2[nH]ncc21 ZINC000004249706 210152747 /nfs/dbraw/zinc/15/27/47/210152747.db2.gz BNDHDTYHDPDGKP-UHFFFAOYSA-N -1 3 326.303 2.957 50 0 EFAAHM O=c1[n-]c(SCc2ccccn2)nc2c1cnn2Cc1ccccc1 ZINC000036712357 201788834 /nfs/dbraw/zinc/78/88/34/201788834.db2.gz WSJJYVHAUGOOSD-UHFFFAOYSA-N -1 3 349.419 2.855 50 0 EFAAHM Cc1nn(-c2ncccn2)c2c1C(=C([O-])c1ccccc1)CC(=O)N2 ZINC000020745189 202053723 /nfs/dbraw/zinc/05/37/23/202053723.db2.gz PLLNCUUJAJHAQI-CYBMUJFWSA-N -1 3 333.351 2.929 50 0 EFAAHM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000021299341 202064221 /nfs/dbraw/zinc/06/42/21/202064221.db2.gz BDMWQPJZSIGIBM-GOSISDBHSA-N -1 3 334.416 2.631 50 0 EFAAHM CC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000037654396 202349014 /nfs/dbraw/zinc/34/90/14/202349014.db2.gz YFNYUGZMBWJQGI-UHFFFAOYSA-N -1 3 343.040 2.510 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]CC[C@H](O)C2CC2)c(Cl)cc1Cl ZINC000077108120 202383472 /nfs/dbraw/zinc/38/34/72/202383472.db2.gz BHFKWFWFWVFCNQ-LBPRGKRZSA-N -1 3 338.256 2.741 50 0 EFAAHM O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000000302372 283879762 /nfs/dbraw/zinc/87/97/62/283879762.db2.gz IBKROSLURNUKDB-SWLSCSKDSA-N -1 3 326.318 2.868 50 0 EFAAHM C[C@@H](Oc1ccc(CN2CCC(Cn3ccnc3)CC2)cc1)C(=O)[O-] ZINC000216434058 241191113 /nfs/dbraw/zinc/19/11/13/241191113.db2.gz YYJOCGSLVWIGCB-OAHLLOKOSA-N -1 3 343.427 2.647 50 0 EFAAHM COc1ccc([O-])c(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c1 ZINC000218825066 241347048 /nfs/dbraw/zinc/34/70/48/241347048.db2.gz RYQLKIPRPJEWGJ-LIRZEXBASA-N -1 3 331.412 2.724 50 0 EFAAHM CN(C)c1nc([C@H]2C[C@@H](Nc3cnc4ccccc4n3)C2)cc(=O)[n-]1 ZINC000253534996 244006057 /nfs/dbraw/zinc/00/60/57/244006057.db2.gz BNNKNWYVSQDFDE-TXEJJXNPSA-N -1 3 336.399 2.550 50 0 EFAAHM Cc1nn(C)c(C)c1[C@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCC1 ZINC000071283229 203090487 /nfs/dbraw/zinc/09/04/87/203090487.db2.gz DVOZWAPIEQWSGW-GFCCVEGCSA-N -1 3 329.404 2.765 50 0 EFAAHM CSc1ccc2c(c1)CCN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C2 ZINC000253537119 244015355 /nfs/dbraw/zinc/01/53/55/244015355.db2.gz YJNHOOUFZCSUJM-UHFFFAOYSA-N -1 3 343.452 2.648 50 0 EFAAHM O=C(c1cccc([O-])c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000072144254 203169556 /nfs/dbraw/zinc/16/95/56/203169556.db2.gz ZMMAMTXSMZGYQV-LJQANCHMSA-N -1 3 336.435 2.708 50 0 EFAAHM Nc1ncccc1CN1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072151960 203172574 /nfs/dbraw/zinc/17/25/74/203172574.db2.gz OYSRTHFQBVNIFL-UHFFFAOYSA-N -1 3 325.412 2.817 50 0 EFAAHM O=C([O-])C1(n2cnc3ccccc32)CCN(Cc2ccco2)CC1 ZINC000072421941 203220289 /nfs/dbraw/zinc/22/02/89/203220289.db2.gz MLYCKTTYPUBBKW-UHFFFAOYSA-N -1 3 325.368 2.705 50 0 EFAAHM Cc1cnn(C2(C(=O)[O-])CCN(C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000072434833 203223560 /nfs/dbraw/zinc/22/35/60/203223560.db2.gz KCGNXGMPDSHZGJ-NSCUHMNNSA-N -1 3 343.402 2.920 50 0 EFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@@](C)(c3ccccc3)C2)c(=O)[n-]1 ZINC000092081735 203667572 /nfs/dbraw/zinc/66/75/72/203667572.db2.gz ZKXZXWQQHXLSCG-HXUWFJFHSA-N -1 3 339.439 2.510 50 0 EFAAHM O=C1[C@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1ccc(F)cc1 ZINC000101500114 204008812 /nfs/dbraw/zinc/00/88/12/204008812.db2.gz BKPXFHDRFFXARJ-DZGCQCFKSA-N -1 3 344.729 2.772 50 0 EFAAHM CCOc1c[n-]c(C(=O)Nc2nc3c(cccc3C)s2)cc1=O ZINC000016968753 211943675 /nfs/dbraw/zinc/94/36/75/211943675.db2.gz FINUKVQXAFPFMA-UHFFFAOYSA-N -1 3 329.381 2.944 50 0 EFAAHM O=C([O-])Cn1nccc1[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000426477560 247285934 /nfs/dbraw/zinc/28/59/34/247285934.db2.gz LWRCXBBBDJBLET-BCMPFUBYSA-N -1 3 343.402 3.000 50 0 EFAAHM O=C(c1ccccc1[O-])N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077387584 296262230 /nfs/dbraw/zinc/26/22/30/296262230.db2.gz GGVZBLYXYGMHIB-FQEVSTJZSA-N -1 3 342.439 2.647 50 0 EFAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000012002101 207063157 /nfs/dbraw/zinc/06/31/57/207063157.db2.gz BKFAMDNNRPUVHR-UHFFFAOYSA-N -1 3 334.372 2.753 50 0 EFAAHM O=C([O-])c1cccc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000095528437 304261411 /nfs/dbraw/zinc/26/14/11/304261411.db2.gz NOQVQWRXWNEAFE-UHFFFAOYSA-N -1 3 329.375 2.631 50 0 EFAAHM CCc1ccc(O[C@H](C)C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000006489939 258052019 /nfs/dbraw/zinc/05/20/19/258052019.db2.gz YZLPVYOOVWGIKX-IAQYHMDHSA-N -1 3 344.333 2.875 50 0 EFAAHM Cc1nn(C(C)C)c(C)c1CNC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1 ZINC000299761737 258078317 /nfs/dbraw/zinc/07/83/17/258078317.db2.gz AAKBDLLPRPGTFH-UHFFFAOYSA-N -1 3 345.447 2.804 50 0 EFAAHM [O-]c1ccc(I)c(I)c1 ZINC000085223837 296591688 /nfs/dbraw/zinc/59/16/88/296591688.db2.gz PDXQVNYRCQKLRZ-UHFFFAOYSA-N -1 3 345.905 2.601 50 0 EFAAHM COCC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000092038107 544540330 /nfs/dbraw/zinc/54/03/30/544540330.db2.gz KQHBOGSOTWBHKZ-HNNXBMFYSA-N -1 3 346.349 2.804 50 0 EFAAHM Cc1ncc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(=O)[n-]1 ZINC000077376687 293587233 /nfs/dbraw/zinc/58/72/33/293587233.db2.gz ANPIGIMMJCTZCV-INIZCTEOSA-N -1 3 329.375 2.514 50 0 EFAAHM COc1cc(OC)c(CN2CCCC[C@H]2CCC(=O)[O-])c(OC)c1 ZINC000097657112 295005766 /nfs/dbraw/zinc/00/57/66/295005766.db2.gz QFGCHMDZFDSEHF-ZDUSSCGKSA-N -1 3 337.416 2.932 50 0 EFAAHM Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)c([O-])c1 ZINC000082160588 473297683 /nfs/dbraw/zinc/29/76/83/473297683.db2.gz PCAZXURROUBBTN-UHFFFAOYSA-N -1 3 344.798 2.843 50 0 EFAAHM O=c1cc(CO)oc([C@@H](Nc2nccs2)c2ccc(F)cc2)c1[O-] ZINC000000121467 471326322 /nfs/dbraw/zinc/32/63/22/471326322.db2.gz IGFFJVPCUQPWNR-ZDUSSCGKSA-N -1 3 348.355 2.635 50 0 EFAAHM CC(C)CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc([O-])cc2)N1 ZINC000000279552 471342789 /nfs/dbraw/zinc/34/27/89/471342789.db2.gz LVYSLQPUOCCFIA-AWEZNQCLSA-N -1 3 330.306 2.891 50 0 EFAAHM CCC1=NN(C(=O)c2cccc(C)c2[O-])[C@](O)(c2ccncc2)C1 ZINC000000302352 471344390 /nfs/dbraw/zinc/34/43/90/471344390.db2.gz SSBVHJXQFPZTGL-GOSISDBHSA-N -1 3 325.368 2.553 50 0 EFAAHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])N1C(=O)c2ccccc2C1=O ZINC000000303023 471344820 /nfs/dbraw/zinc/34/48/20/471344820.db2.gz FRONEVJJXADVKS-SECBINFHSA-N -1 3 344.754 2.669 50 0 EFAAHM COc1cc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)ccc1O ZINC000000338331 471349310 /nfs/dbraw/zinc/34/93/10/471349310.db2.gz VKOSQMWSWLZQPA-UHFFFAOYSA-N -1 3 344.319 2.897 50 0 biogenic,in-vitro EFAAHM Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@]2(O)C(F)(F)F)c1[O-] ZINC000000352137 471350895 /nfs/dbraw/zinc/35/08/95/471350895.db2.gz BKXSQRZARAOITK-NHYWBVRUSA-N -1 3 342.317 2.954 50 0 EFAAHM O=C(c1ccccc1[O-])N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000436191 471360110 /nfs/dbraw/zinc/36/01/10/471360110.db2.gz GITNYGIPTKRVPM-QMTHXVAHSA-N -1 3 328.290 2.645 50 0 EFAAHM N=C(Nc1ccc(Cl)cc1)Nc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000000449043 471361132 /nfs/dbraw/zinc/36/11/32/471361132.db2.gz WWOYQSWWTOCBFH-UHFFFAOYSA-N -1 3 331.685 2.901 50 0 EFAAHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])N1C(=O)c2ccccc2C1=O ZINC000000529273 471368668 /nfs/dbraw/zinc/36/86/68/471368668.db2.gz ZNHWGANOJTUEQD-VIFPVBQESA-N -1 3 344.754 2.669 50 0 EFAAHM CCOC(=O)N[C@]([N-]c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000002274904 471405981 /nfs/dbraw/zinc/40/59/81/471405981.db2.gz SKNOMWTZPMUKNL-CYBMUJFWSA-N -1 3 334.294 2.666 50 0 EFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000002882062 471426095 /nfs/dbraw/zinc/42/60/95/471426095.db2.gz RMSFZXQMLPKPGZ-UHFFFAOYSA-N -1 3 331.349 2.602 50 0 biogenic EFAAHM COc1cc2ncc(C(=O)c3ccc(F)cc3)c([O-])c2cc1OC ZINC000003906904 471456585 /nfs/dbraw/zinc/45/65/85/471456585.db2.gz AGNQIPOWIYZDES-UHFFFAOYSA-N -1 3 327.311 2.915 50 0 EFAAHM Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1N ZINC000003885505 471457518 /nfs/dbraw/zinc/45/75/18/471457518.db2.gz GYPWNSMTTFOWFB-UHFFFAOYSA-N -1 3 331.319 2.671 50 0 EFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(OC(C)C)cc2)N1 ZINC000004178919 471460758 /nfs/dbraw/zinc/46/07/58/471460758.db2.gz AEZSTCXWSGMDNR-CQSZACIVSA-N -1 3 330.306 2.947 50 0 EFAAHM CCCOc1cccc(C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)c1 ZINC000004178928 471461360 /nfs/dbraw/zinc/46/13/60/471461360.db2.gz MDTACKPUEBRCEB-AWEZNQCLSA-N -1 3 330.306 2.948 50 0 EFAAHM COc1cc(S(=O)(=O)[N-]Cc2cccs2)c(OC)cc1Cl ZINC000004667241 471470382 /nfs/dbraw/zinc/47/03/82/471470382.db2.gz UXGZNGPFLXJPRV-UHFFFAOYSA-N -1 3 347.845 2.897 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CCNc2cccc(F)c2)cc1 ZINC000004727990 471472209 /nfs/dbraw/zinc/47/22/09/471472209.db2.gz DNEDFJDYQVNYNQ-UHFFFAOYSA-N -1 3 336.388 2.882 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000004809207 471474668 /nfs/dbraw/zinc/47/46/68/471474668.db2.gz BJBZHEBAKMYECT-UHFFFAOYSA-N -1 3 338.816 2.642 50 0 EFAAHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C)c(C)c2)N1 ZINC000004860658 471478134 /nfs/dbraw/zinc/47/81/34/471478134.db2.gz PRXBBZUVPXZCNE-OAHLLOKOSA-N -1 3 344.333 2.931 50 0 EFAAHM O=C([O-])C[C@@H](NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000005063149 471485437 /nfs/dbraw/zinc/48/54/37/471485437.db2.gz ZNUPUOVZUKLWDV-OAHLLOKOSA-N -1 3 332.787 2.912 50 0 EFAAHM CCOC(=O)Nc1ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000005315767 471498779 /nfs/dbraw/zinc/49/87/79/471498779.db2.gz ARLRBFMORNEMCY-ZDUSSCGKSA-N -1 3 335.278 2.568 50 0 EFAAHM CCCC(=O)N[C@]([N-]c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000005645511 471515323 /nfs/dbraw/zinc/51/53/23/471515323.db2.gz JHXJAVKYNGIYKA-CQSZACIVSA-N -1 3 332.322 2.837 50 0 EFAAHM O=c1c2ccccc2c(-c2n[n-]c(=S)o2)nn1Cc1ccccc1 ZINC000005855255 471522921 /nfs/dbraw/zinc/52/29/21/471522921.db2.gz LVEKKDXKPJDYLK-UHFFFAOYSA-N -1 3 336.376 2.784 50 0 EFAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccco3)c([O-])c12 ZINC000007424088 471612958 /nfs/dbraw/zinc/61/29/58/471612958.db2.gz DZJMRUXVEKNXJG-UHFFFAOYSA-N -1 3 348.362 2.545 50 0 EFAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000007708175 471632039 /nfs/dbraw/zinc/63/20/39/471632039.db2.gz FLMJESDWPBTTQC-UHFFFAOYSA-N -1 3 334.372 2.753 50 0 EFAAHM Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1[N-]S(C)(=O)=O ZINC000010314687 471733455 /nfs/dbraw/zinc/73/34/55/471733455.db2.gz XAGDQXMIUCUKGQ-UHFFFAOYSA-N -1 3 340.351 2.897 50 0 EFAAHM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000010450857 471735942 /nfs/dbraw/zinc/73/59/42/471735942.db2.gz BSXKBWADEROCEI-ZWKOTPCHSA-N -1 3 344.455 2.658 50 0 EFAAHM Cn1c(SCc2cccc(C(F)(F)F)c2)nc2c1nc[n-]c2=O ZINC000012427874 471774979 /nfs/dbraw/zinc/77/49/79/471774979.db2.gz WGCHSAGAVGYEMC-UHFFFAOYSA-N -1 3 340.330 2.968 50 0 biogenic,in-vitro EFAAHM Cc1ccc(NC(=O)CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000015913401 471921282 /nfs/dbraw/zinc/92/12/82/471921282.db2.gz REODZFWGFASLCE-UHFFFAOYSA-N -1 3 325.397 2.906 50 0 EFAAHM Cc1ccn2c(c1)nc([O-])c(C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1)c2=O ZINC000016689961 471947670 /nfs/dbraw/zinc/94/76/70/471947670.db2.gz OEXDHSXGVISBJO-STQMWFEESA-N -1 3 343.427 2.653 50 0 EFAAHM Cc1ccn2c(c1)nc([O-])c(C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1)c2=O ZINC000016689958 471947680 /nfs/dbraw/zinc/94/76/80/471947680.db2.gz OEXDHSXGVISBJO-CHWSQXEVSA-N -1 3 343.427 2.653 50 0 EFAAHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000017071368 471955445 /nfs/dbraw/zinc/95/54/45/471955445.db2.gz DMOPVAZAUODJFO-VIFPVBQESA-N -1 3 341.335 2.733 50 0 EFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc(C(C)(C)C)cs1 ZINC000040266788 472030200 /nfs/dbraw/zinc/03/02/00/472030200.db2.gz LXVLJXLEUIOFBX-UHFFFAOYSA-N -1 3 343.474 2.566 50 0 EFAAHM Cc1cc(=O)[n-]c(CCn2cc(CC3=C(C)CCCC3(C)C)nn2)n1 ZINC000067641056 472064458 /nfs/dbraw/zinc/06/44/58/472064458.db2.gz SDMANCSGWKNFSI-UHFFFAOYSA-N -1 3 341.459 2.982 50 0 EFAAHM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(C)CCCc1c(C)n[nH]c1C ZINC000055342712 472170742 /nfs/dbraw/zinc/17/07/42/472170742.db2.gz WMOGXVOPJILAIQ-KRWDZBQOSA-N -1 3 349.406 2.865 50 0 EFAAHM CCN(CCOc1ccccc1F)C(=O)c1ccc2n[n-]nc2c1 ZINC000055343285 472171088 /nfs/dbraw/zinc/17/10/88/472171088.db2.gz MPPXOVWHZNXIIW-UHFFFAOYSA-N -1 3 328.347 2.638 50 0 EFAAHM Cc1cc2nc(SCC(=O)Nc3c(C)cccc3C)[n-]c(=O)c2[nH]1 ZINC000057520943 472447998 /nfs/dbraw/zinc/44/79/98/472447998.db2.gz ZULDMGHDHHAISF-UHFFFAOYSA-N -1 3 342.424 2.907 50 0 EFAAHM O=C([O-])c1cccc(CN2CCC(OCc3ccccn3)CC2)c1 ZINC000097784767 472508332 /nfs/dbraw/zinc/50/83/32/472508332.db2.gz UXFOYYUPZOKSGO-UHFFFAOYSA-N -1 3 326.396 2.961 50 0 EFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1 ZINC000046088503 472509635 /nfs/dbraw/zinc/50/96/35/472509635.db2.gz KEVIADFDLBXAHL-UHFFFAOYSA-N -1 3 346.408 2.905 50 0 EFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000071281383 472545564 /nfs/dbraw/zinc/54/55/64/472545564.db2.gz FUHHCKSVOGZHCF-MRXNPFEDSA-N -1 3 346.774 2.641 50 0 EFAAHM O=C(N1CCc2c(=O)[n-]cnc2C1)[C@]1(c2ccccc2)CC12CCCC2 ZINC000071763066 472560973 /nfs/dbraw/zinc/56/09/73/472560973.db2.gz OTYWBSDEYZLSNT-OAQYLSRUSA-N -1 3 349.434 2.557 50 0 EFAAHM CC(C)CCN1CCN(Cc2ccc([O-])c(Cl)c2)C[C@H]1CCO ZINC000104398719 472669434 /nfs/dbraw/zinc/66/94/34/472669434.db2.gz SAFZURIKTCCTEC-MRXNPFEDSA-N -1 3 340.895 2.960 50 0 EFAAHM CC(C)CN1CCN(Cc2ccc([O-])c(Cl)c2)C[C@H]1CCO ZINC000104497882 472674869 /nfs/dbraw/zinc/67/48/69/472674869.db2.gz BRRSCNLIZHLHKT-OAHLLOKOSA-N -1 3 326.868 2.570 50 0 EFAAHM CC(C)=CCC[C@]1(C)CCC(=O)N(CCc2cc(=O)[n-]c(C)n2)C1 ZINC000091518596 472774145 /nfs/dbraw/zinc/77/41/45/472774145.db2.gz PFTSQLMMOMBMNE-LJQANCHMSA-N -1 3 331.460 2.996 50 0 EFAAHM COCc1ncc(CN2CCC[C@@](CC=C(C)C)(C(=O)[O-])C2)cn1 ZINC000091713182 472797786 /nfs/dbraw/zinc/79/77/86/472797786.db2.gz YFIMFKTWVNFBTD-SFHVURJKSA-N -1 3 333.432 2.646 50 0 EFAAHM COCCC[C@]1(C(=O)[O-])CCCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000092078841 472855319 /nfs/dbraw/zinc/85/53/19/472855319.db2.gz LOGHPIJYBVOQIL-LJQANCHMSA-N -1 3 333.428 2.983 50 0 EFAAHM Cc1cccc([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c1C ZINC000095352738 473190592 /nfs/dbraw/zinc/19/05/92/473190592.db2.gz KQBUTFHUAJVUAZ-LJQANCHMSA-N -1 3 339.439 2.642 50 0 EFAAHM CCNc1ncc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095378869 473192994 /nfs/dbraw/zinc/19/29/94/473192994.db2.gz GDAOSLJPFAUDAO-KRWDZBQOSA-N -1 3 340.427 2.986 50 0 EFAAHM CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C(=O)[O-])c1ccc(N)nc1 ZINC000095388322 473194631 /nfs/dbraw/zinc/19/46/31/473194631.db2.gz LOVQILUJSTUGHP-CQSZACIVSA-N -1 3 339.317 2.940 50 0 EFAAHM COc1ccc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c([O-])c1 ZINC000222710508 474172531 /nfs/dbraw/zinc/17/25/31/474172531.db2.gz BQTIYVBLPGGQOD-HPBDAGMYSA-N -1 3 331.412 2.724 50 0 EFAAHM Cc1csc(C(=O)N[C@H](Cn2c([O-])coc2=O)c2ccccc2)c1 ZINC000225634343 474232426 /nfs/dbraw/zinc/23/24/26/474232426.db2.gz QBLXEVYKRHVLLX-CYBMUJFWSA-N -1 3 344.392 2.506 50 0 EFAAHM COC(=O)C[C@@H](c1ccc(O)cc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253408050 474739797 /nfs/dbraw/zinc/73/97/97/474739797.db2.gz KIVKIDBFKKVFPV-AWEZNQCLSA-N -1 3 340.331 2.899 50 0 biogenic EFAAHM COC(=O)C[C@@H](c1ccncc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253411408 474741524 /nfs/dbraw/zinc/74/15/24/474741524.db2.gz OOLNFDNEFALSHW-ZDUSSCGKSA-N -1 3 325.320 2.589 50 0 biogenic EFAAHM O=c1[n-]c(-c2ncc(C(F)(F)F)cc2Cl)nc2c1CCNC2 ZINC000261494780 474981246 /nfs/dbraw/zinc/98/12/46/474981246.db2.gz GDIQDXFMBWLHCX-UHFFFAOYSA-N -1 3 330.697 2.562 50 0 EFAAHM CCOc1ccccc1CN1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426647258 477732389 /nfs/dbraw/zinc/73/23/89/477732389.db2.gz MMWWVGLSZDBIGQ-OAHLLOKOSA-N -1 3 343.427 2.746 50 0 EFAAHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cnc(C)[n-]c1=O)CC(C)(C)O2 ZINC000534588942 478160894 /nfs/dbraw/zinc/16/08/94/478160894.db2.gz MSKZJFFHDUUXRP-AWEZNQCLSA-N -1 3 327.384 2.831 50 0 EFAAHM O=c1ccccn1Cc1nc(=O)c2c3c(sc2[n-]1)CCCCC3 ZINC000585137037 479296460 /nfs/dbraw/zinc/29/64/60/479296460.db2.gz FKHKQWGHIGLWLX-UHFFFAOYSA-N -1 3 327.409 2.876 50 0 EFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C2CC2)nc1 ZINC000585150408 479301863 /nfs/dbraw/zinc/30/18/63/479301863.db2.gz TXXBVLODFSDHIJ-UHFFFAOYSA-N -1 3 336.388 2.585 50 0 EFAAHM C[C@@H]([N-]S(=O)(=O)CC1CCCC1)c1nc(-c2ccccc2)no1 ZINC000670434666 547489139 /nfs/dbraw/zinc/48/91/39/547489139.db2.gz SHOXLOYJXSIHOL-GFCCVEGCSA-N -1 3 335.429 2.907 50 0 EFAAHM CC[C@H]([N-]S(=O)(=O)c1c(C)n[nH]c1C)c1nc(C)c(C)s1 ZINC000670452034 547492594 /nfs/dbraw/zinc/49/25/94/547492594.db2.gz SZHAHOMFNCOVLD-NSHDSACASA-N -1 3 328.463 2.529 50 0 EFAAHM O=C([O-])[C@@]12CN(Cc3c(Cl)cccc3Cl)C[C@@H]1COCC2 ZINC001772709040 1249295364 /nfs/dbraw/zinc/29/53/64/1249295364.db2.gz GNNUDYFUUTYYLE-BMIGLBTASA-N -1 3 330.211 2.917 50 0 EFAAHM Cc1oc(-c2cccs2)nc1CN1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001772709693 1249297372 /nfs/dbraw/zinc/29/73/72/1249297372.db2.gz LOGBFIZZKBRWJG-PXAZEXFGSA-N -1 3 348.424 2.635 50 0 EFAAHM CCc1noc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000823569268 1265393969 /nfs/dbraw/zinc/39/39/69/1265393969.db2.gz BKZBXVGCIIBHDQ-VIFPVBQESA-N -1 3 329.809 2.633 50 0 EFAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)NCC[C@H](C)c1ccccc1)C2 ZINC000825275652 1267051199 /nfs/dbraw/zinc/05/11/99/1267051199.db2.gz JOSBQYJTGKSBHQ-LBPRGKRZSA-N -1 3 326.400 2.710 50 0 EFAAHM COc1cccc([C@@H]2CN(Cc3ccccc3C#N)C[C@H]2C(=O)[O-])c1 ZINC000091444552 1290082961 /nfs/dbraw/zinc/08/29/61/1290082961.db2.gz JZVQOHFHDXGQPR-RBUKOAKNSA-N -1 3 336.391 2.867 50 0 EFAAHM O=S(=O)([N-]C1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1 ZINC000000462367 1303533190 /nfs/dbraw/zinc/53/31/90/1303533190.db2.gz BFENQIJCRWDWBN-UHFFFAOYSA-N -1 3 345.298 2.652 50 0 EFAAHM Cc1nnc(C[N-]S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)o1 ZINC001506405036 1405753283 /nfs/dbraw/zinc/75/32/83/1405753283.db2.gz HPFLTHAPVMVOKE-UHFFFAOYSA-N -1 3 337.445 2.771 50 0 EFAAHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC001506422298 1405762340 /nfs/dbraw/zinc/76/23/40/1405762340.db2.gz PVEZKWRJCDXPTN-UHFFFAOYSA-N -1 3 344.386 2.581 50 0 EFAAHM CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001704349799 1417914487 /nfs/dbraw/zinc/91/44/87/1417914487.db2.gz WTNZEULQAPGKOF-QGZVFWFLSA-N -1 3 331.379 2.586 50 0 EFAAHM CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001704349799 1417914489 /nfs/dbraw/zinc/91/44/89/1417914489.db2.gz WTNZEULQAPGKOF-QGZVFWFLSA-N -1 3 331.379 2.586 50 0 EFAAHM COCCN(Cc1sccc1C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000055168069 1423709156 /nfs/dbraw/zinc/70/91/56/1423709156.db2.gz KZBFBHIYYMIPTO-UHFFFAOYSA-N -1 3 343.456 2.885 50 0 EFAAHM COCCN(Cc1sccc1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000055168069 1423709160 /nfs/dbraw/zinc/70/91/60/1423709160.db2.gz KZBFBHIYYMIPTO-UHFFFAOYSA-N -1 3 343.456 2.885 50 0 EFAAHM CC(=O)NCc1cc(=O)[n-]c(C2(c3ccc(Cl)cc3)CCC2)n1 ZINC000023251202 717802577 /nfs/dbraw/zinc/80/25/77/717802577.db2.gz XDTCQRFCFPKION-UHFFFAOYSA-N -1 3 331.803 2.529 50 0 EFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000004727609 210261643 /nfs/dbraw/zinc/26/16/43/210261643.db2.gz BXJFOCIGPUJYQY-UHFFFAOYSA-N -1 3 349.408 2.656 50 0 EFAAHM CCCCNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700236 210252017 /nfs/dbraw/zinc/25/20/17/210252017.db2.gz WZLKGPJXGMGWSF-KRWDZBQOSA-N -1 3 344.386 2.636 50 0 EFAAHM CCn1nc(C)c(CN(CCOC)Cc2nc(C)ccc2[O-])c1C ZINC000055099190 214272366 /nfs/dbraw/zinc/27/23/66/214272366.db2.gz ADBUIRHNLZOXGD-UHFFFAOYSA-N -1 3 332.448 2.577 50 0 EFAAHM CCc1nnc([N-]C(=O)c2nnn(-c3ccc(C)cc3)c2C)s1 ZINC000004511645 210209284 /nfs/dbraw/zinc/20/92/84/210209284.db2.gz ARCOXAKCNVDGHP-UHFFFAOYSA-N -1 3 328.401 2.550 50 0 EFAAHM O=C(CCSc1ccc(F)cc1)Nc1cccc2c1C(=O)[N-]C2=O ZINC000004496833 210203778 /nfs/dbraw/zinc/20/37/78/210203778.db2.gz VJEYMVZPHIFPDL-UHFFFAOYSA-N -1 3 344.367 2.830 50 0 EFAAHM CN1CCC(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000065363971 214874751 /nfs/dbraw/zinc/87/47/51/214874751.db2.gz MXEXOIBNPQOPIM-UHFFFAOYSA-N -1 3 346.452 2.960 50 0 EFAAHM Cc1ccc(NC(=O)CSc2nc3nncc-3c(O)[n-]2)cc1Cl ZINC000004249755 210152539 /nfs/dbraw/zinc/15/25/39/210152539.db2.gz MZJCXLOEUXHVIC-UHFFFAOYSA-N -1 3 349.803 2.751 50 0 EFAAHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2cc(C)cc(C)c2)N1 ZINC000004163621 210135853 /nfs/dbraw/zinc/13/58/53/210135853.db2.gz OZWKHMJTBRWMAQ-OAHLLOKOSA-N -1 3 344.333 2.931 50 0 EFAAHM CCOC(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000004078365 210115457 /nfs/dbraw/zinc/11/54/57/210115457.db2.gz ZQLDMUSTGVSWTP-UHFFFAOYSA-N -1 3 329.428 2.507 50 0 EFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCc3ccco3)c(=O)oc12 ZINC000004085026 210116587 /nfs/dbraw/zinc/11/65/87/210116587.db2.gz MQOXISVHYFAKGA-UHFFFAOYSA-N -1 3 327.336 2.567 50 0 biogenic EFAAHM O=C([N-]CCCCCCCCNC(=O)C(F)(F)F)C(F)(F)F ZINC000004015620 210100541 /nfs/dbraw/zinc/10/05/41/210100541.db2.gz NIVXSNBAHHAJIU-UHFFFAOYSA-N -1 3 336.276 2.684 50 0 EFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(N)c2)cc1 ZINC000003885388 210084173 /nfs/dbraw/zinc/08/41/73/210084173.db2.gz QKDMCYVRFMPKIW-UHFFFAOYSA-N -1 3 347.440 2.678 50 0 EFAAHM CC(C)Cc1noc([C@H]2CCCN(C(=O)c3c([O-])cccc3O)C2)n1 ZINC000067446571 215147375 /nfs/dbraw/zinc/14/73/75/215147375.db2.gz WXZXIZZNQKJOGF-LBPRGKRZSA-N -1 3 345.399 2.699 50 0 EFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1c(F)ccc(C)c1F)C2 ZINC000067726616 215195751 /nfs/dbraw/zinc/19/57/51/215195751.db2.gz ABMCAMIUXCTKKY-LLVKDONJSA-N -1 3 349.381 2.835 50 0 EFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC1(c2cccs2)CC1 ZINC000038593102 213216654 /nfs/dbraw/zinc/21/66/54/213216654.db2.gz CTYHOYNFHXIARH-UHFFFAOYSA-N -1 3 341.429 2.906 50 0 EFAAHM Cc1nc(C2CCN(Cc3ccnc(C(C)C)n3)CC2)cc(=O)[n-]1 ZINC000072134592 216023019 /nfs/dbraw/zinc/02/30/19/216023019.db2.gz ICDJOBPTJCPPCJ-UHFFFAOYSA-N -1 3 327.432 2.784 50 0 EFAAHM Cc1nc(C2CCN(Cc3ccc4nsnc4c3)CC2)cc(=O)[n-]1 ZINC000072137194 216025393 /nfs/dbraw/zinc/02/53/93/216025393.db2.gz UHPIVTKRZUSJPD-UHFFFAOYSA-N -1 3 341.440 2.875 50 0 EFAAHM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc(=O)[n-]c(C)n2)c1 ZINC000023311224 212368030 /nfs/dbraw/zinc/36/80/30/212368030.db2.gz LUMCLVAYHMMLOT-ZDUSSCGKSA-N -1 3 343.427 2.594 50 0 EFAAHM CC(C)c1ccc(-n2cc(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cn2)cc1 ZINC000217361262 241246678 /nfs/dbraw/zinc/24/66/78/241246678.db2.gz WWDSIRWEWAAZTK-PIIMJCKOSA-N -1 3 325.412 2.758 50 0 EFAAHM Cc1csc(C(=O)N[C@@H](Cn2c([O-])coc2=O)c2ccccc2)c1 ZINC000225634371 241962053 /nfs/dbraw/zinc/96/20/53/241962053.db2.gz QBLXEVYKRHVLLX-ZDUSSCGKSA-N -1 3 344.392 2.506 50 0 EFAAHM C[C@@H](Oc1ccc(CN2CCN(CC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000220416855 296208463 /nfs/dbraw/zinc/20/84/63/296208463.db2.gz TZXUTCCLANZYPY-MRXNPFEDSA-N -1 3 346.471 2.846 50 0 EFAAHM CSc1ccccc1C(=O)N1CCC(c2cc(=O)[n-]c(C)n2)CC1 ZINC000082157073 217479797 /nfs/dbraw/zinc/47/97/97/217479797.db2.gz PPJQYEHMGGYXHV-UHFFFAOYSA-N -1 3 343.452 2.820 50 0 EFAAHM Cc1ccc([C@@]2(C(=O)NCCc3nc(C)cc(=O)[n-]3)CC2(C)C)cc1 ZINC000426401601 247276447 /nfs/dbraw/zinc/27/64/47/247276447.db2.gz CGOBMETWCMUDGN-HXUWFJFHSA-N -1 3 339.439 2.826 50 0 EFAAHM CCc1nc(C)sc1CN1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426465080 247283143 /nfs/dbraw/zinc/28/31/43/247283143.db2.gz DCCDRXNILFROEJ-CYBMUJFWSA-N -1 3 348.472 2.675 50 0 EFAAHM O=C([O-])Cn1ccc([C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)n1 ZINC000426563418 247292648 /nfs/dbraw/zinc/29/26/48/247292648.db2.gz SFODGUKDSJHPNV-HNNXBMFYSA-N -1 3 338.411 2.829 50 0 EFAAHM O=C([O-])Cn1ccc([C@@H]2CCCN(C/C=C/c3ccccc3)C2)n1 ZINC000426361652 247267306 /nfs/dbraw/zinc/26/73/06/247267306.db2.gz FBMOPKHLYNDBON-IOMDMTNGSA-N -1 3 325.412 2.861 50 0 EFAAHM Cc1nnc(=O)[n-]c1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011990597 211275690 /nfs/dbraw/zinc/27/56/90/211275690.db2.gz NDVQSGBPAFLNHX-UHFFFAOYSA-N -1 3 344.318 2.635 50 0 EFAAHM CCCCS(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000011917642 211269527 /nfs/dbraw/zinc/26/95/27/211269527.db2.gz SZLMHNVHBWFXBK-UHFFFAOYSA-N -1 3 343.405 2.503 50 0 EFAAHM CCc1ccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)o1 ZINC000091526581 218017642 /nfs/dbraw/zinc/01/76/42/218017642.db2.gz HAELYCLMBDHOOF-JKSUJKDBSA-N -1 3 343.379 2.871 50 0 EFAAHM Cc1ccc(C(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)c([O-])c1 ZINC000091587199 218026774 /nfs/dbraw/zinc/02/67/74/218026774.db2.gz PSQDJYFTNWTFFV-UHFFFAOYSA-N -1 3 344.455 2.954 50 0 EFAAHM CN(C(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000091626402 218035449 /nfs/dbraw/zinc/03/54/49/218035449.db2.gz CSPXPAKEJXFFDW-ZWKOTPCHSA-N -1 3 344.455 2.578 50 0 EFAAHM COc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Cl)c1OC ZINC000091769570 218062589 /nfs/dbraw/zinc/06/25/89/218062589.db2.gz NUDSLYWWPXYWEB-QWHCGFSZSA-N -1 3 339.819 2.900 50 0 EFAAHM COCCC[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(OC)c2)C1 ZINC000091780523 218065419 /nfs/dbraw/zinc/06/54/19/218065419.db2.gz KTNLNCJUQJMPHU-GOSISDBHSA-N -1 3 339.407 2.928 50 0 EFAAHM Cc1cccc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1[O-] ZINC000091793987 218067830 /nfs/dbraw/zinc/06/78/30/218067830.db2.gz BRRZPQABQUKBPU-UHFFFAOYSA-N -1 3 342.439 2.708 50 0 EFAAHM COc1cccc([C@@H]2CN(Cc3ccc(C)o3)C[C@H]2C(=O)[O-])c1OC ZINC000091907049 218087454 /nfs/dbraw/zinc/08/74/54/218087454.db2.gz XAXHGTLPCBKVRV-JKSUJKDBSA-N -1 3 345.395 2.905 50 0 EFAAHM COCCC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000092078840 218116767 /nfs/dbraw/zinc/11/67/67/218116767.db2.gz LOGHPIJYBVOQIL-IBGZPJMESA-N -1 3 333.428 2.983 50 0 EFAAHM CN(Cc1ccc2nsnc2c1)[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095352395 218285502 /nfs/dbraw/zinc/28/55/02/218285502.db2.gz YLJDEAVRXXAUQP-OAHLLOKOSA-N -1 3 329.381 2.655 50 0 EFAAHM CN(Cc1ccc2nsnc2c1)[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095352394 218285541 /nfs/dbraw/zinc/28/55/41/218285541.db2.gz YLJDEAVRXXAUQP-HNNXBMFYSA-N -1 3 329.381 2.655 50 0 EFAAHM CSc1nnc([N-]C(=O)c2cc(-c3ccccc3O)[nH]n2)s1 ZINC000008996162 211029641 /nfs/dbraw/zinc/02/96/41/211029641.db2.gz UBUMSVFRNODSOF-UHFFFAOYSA-N -1 3 333.398 2.608 50 0 EFAAHM CCc1ccccc1OC1CN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000095371263 218304160 /nfs/dbraw/zinc/30/41/60/218304160.db2.gz NYVSCLYGUXXJLX-UHFFFAOYSA-N -1 3 327.380 2.867 50 0 EFAAHM O=C([O-])[C@H](c1cccc(OCC(F)(F)F)c1)N1CCSCC1 ZINC000095388389 218320439 /nfs/dbraw/zinc/32/04/39/218320439.db2.gz OMPMNXGRCFYJKY-LBPRGKRZSA-N -1 3 335.347 2.802 50 0 EFAAHM CSc1nsc([N-]C(=O)c2cncc(Br)c2)n1 ZINC000008782296 211005996 /nfs/dbraw/zinc/00/59/96/211005996.db2.gz JEGAXDMTGBSQHL-UHFFFAOYSA-N -1 3 331.220 2.670 50 0 EFAAHM COc1ccc(OC)c(NC(=O)C(=S)[N-]Cc2ccccc2)c1 ZINC000004828564 210290372 /nfs/dbraw/zinc/29/03/72/210290372.db2.gz HSKIEJHFBVMJAM-UHFFFAOYSA-N -1 3 330.409 2.760 50 0 EFAAHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000004809559 210283835 /nfs/dbraw/zinc/28/38/35/210283835.db2.gz QOVPNIBBHOCNBC-UHFFFAOYSA-N -1 3 340.351 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VEURRCIWTGWMGH-SNVBAGLBSA-N -1 3 328.372 2.742 50 0 EFAAHM O=S(=O)([N-]C[C@]1(O)CCc2ccccc21)c1ccc(Cl)s1 ZINC000075155728 473141727 /nfs/dbraw/zinc/14/17/27/473141727.db2.gz FVEBPWZBTJTPNH-CQSZACIVSA-N -1 3 343.857 2.514 50 0 EFAAHM COc1ccccc1-c1cc(CNC(=O)c2ccc3n[n-]nc3c2)on1 ZINC000223711587 474190043 /nfs/dbraw/zinc/19/00/43/474190043.db2.gz IYQXQPKUHWKVQA-UHFFFAOYSA-N -1 3 349.350 2.552 50 0 EFAAHM O=S(=O)([N-]Cc1ccnc(-c2cccnc2)c1)c1cccs1 ZINC000225641318 474232099 /nfs/dbraw/zinc/23/20/99/474232099.db2.gz LLNNDKAHPOUJSS-UHFFFAOYSA-N -1 3 331.422 2.684 50 0 EFAAHM Cc1nc([C@H]2CCCN(C(=O)c3cccn3C(C)C)C2)cc(=O)[n-]1 ZINC000252489332 474675272 /nfs/dbraw/zinc/67/52/72/474675272.db2.gz JOJPZTFKPJBGBC-AWEZNQCLSA-N -1 3 328.416 2.893 50 0 EFAAHM C[C@H]1CCCCN1C1CN(CCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000252507816 474685641 /nfs/dbraw/zinc/68/56/41/474685641.db2.gz WUHIMYDMEWUENY-HNNXBMFYSA-N -1 3 332.444 2.712 50 0 EFAAHM COC(=O)C[C@H](c1cccnc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253396316 474735270 /nfs/dbraw/zinc/73/52/70/474735270.db2.gz AZIHZPZVAASPFX-CYBMUJFWSA-N -1 3 325.320 2.589 50 0 biogenic EFAAHM O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000390827731 476801136 /nfs/dbraw/zinc/80/11/36/476801136.db2.gz JNSPJGPEAARZMV-CYBMUJFWSA-N -1 3 341.371 2.688 50 0 EFAAHM O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000390827731 476801142 /nfs/dbraw/zinc/80/11/42/476801142.db2.gz JNSPJGPEAARZMV-CYBMUJFWSA-N -1 3 341.371 2.688 50 0 EFAAHM O=S(=O)(/C=C/c1ccccc1)[N-]c1cnn(C[C@@H]2CCCCO2)c1 ZINC000390829442 476802363 /nfs/dbraw/zinc/80/23/63/476802363.db2.gz YTJHNSLMZHTMHC-KAMXEHQASA-N -1 3 347.440 2.865 50 0 EFAAHM CC[C@H]1CCc2c(sc3[n-]c(-c4cc(N)ncn4)nc(=O)c23)C1 ZINC000585137137 479296663 /nfs/dbraw/zinc/29/66/63/479296663.db2.gz JUTWAAGIPJDVTM-QMMMGPOBSA-N -1 3 327.413 2.951 50 0 EFAAHM C=CC(=C(F)C=C(C)F)c1cc2nc3c(=O)[n-]c(=O)n(C)c3nc2o1 ZINC000585152501 479301418 /nfs/dbraw/zinc/30/14/18/479301418.db2.gz RFMAXAZSXVAZSA-WGKMIZOUSA-N -1 3 346.293 2.915 50 0 EFAAHM O=S(=O)([N-]Cc1ccnc(-c2ccncc2)c1)c1ccccc1F ZINC000575607363 479451695 /nfs/dbraw/zinc/45/16/95/479451695.db2.gz BTBXFHRNQDBCJD-UHFFFAOYSA-N -1 3 343.383 2.761 50 0 EFAAHM O=S(=O)([N-]Cc1cncc(-c2ccco2)c1)c1ccccc1F ZINC000575618383 479457107 /nfs/dbraw/zinc/45/71/07/479457107.db2.gz MIRVVFAPCXUVTC-UHFFFAOYSA-N -1 3 332.356 2.959 50 0 EFAAHM CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1[O-] ZINC000004841282 523219220 /nfs/dbraw/zinc/21/92/20/523219220.db2.gz MLMUFQDVZYTJML-UHFFFAOYSA-N -1 3 346.456 2.775 50 0 EFAAHM O=c1cc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)nc[n-]1 ZINC000670466627 547493759 /nfs/dbraw/zinc/49/37/59/547493759.db2.gz ZQOFBKRYGUPZFM-UHFFFAOYSA-N -1 3 336.376 2.669 50 0 EFAAHM Cc1nc(CNC(=O)C[C@H](c2ccco2)c2ccccc2)cc(=O)[n-]1 ZINC000952984216 1284982795 /nfs/dbraw/zinc/98/27/95/1284982795.db2.gz PBKYDTAHYDJVLP-INIZCTEOSA-N -1 3 337.379 2.922 50 0 EFAAHM CC(C)(C)c1ccc(C(=O)CCCN2CC[C@H](O)[C@@H](C(=O)[O-])C2)cc1 ZINC001704300595 1417900983 /nfs/dbraw/zinc/90/09/83/1417900983.db2.gz XSXSRHCXLHAINL-WMZOPIPTSA-N -1 3 347.455 2.714 50 0 EFAAHM COc1ccc(-c2onc(N[C@@H]3CCCN(C)C3)c2C(=O)[O-])cc1 ZINC001704306583 1417902867 /nfs/dbraw/zinc/90/28/67/1417902867.db2.gz PFAUIHHKYACFPQ-GFCCVEGCSA-N -1 3 331.372 2.555 50 0 EFAAHM O=C(CCCc1cccs1)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000082039311 1109772063 /nfs/dbraw/zinc/77/20/63/1109772063.db2.gz JHEMPGGTXCZUJP-UHFFFAOYSA-N -1 3 331.441 2.560 50 0 EFAAHM COc1ccc(SCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000050603775 214060942 /nfs/dbraw/zinc/06/09/42/214060942.db2.gz PRKGQMQHBUARGP-UHFFFAOYSA-N -1 3 346.334 2.953 50 0 EFAAHM COc1ccc(SCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000050603775 214060946 /nfs/dbraw/zinc/06/09/46/214060946.db2.gz PRKGQMQHBUARGP-UHFFFAOYSA-N -1 3 346.334 2.953 50 0 EFAAHM Cc1ccn(C(C(=O)N2CCCCC2)=C([O-])c2ccccc2)c(=O)c1 ZINC000004682143 210246899 /nfs/dbraw/zinc/24/68/99/210246899.db2.gz BFFPFVLJLIJHIK-GOSISDBHSA-N -1 3 338.407 2.593 50 0 EFAAHM Cc1ccn(C(C(=O)N2CCCCC2)=C([O-])c2ccccc2)c(=O)c1 ZINC000004682142 210246097 /nfs/dbraw/zinc/24/60/97/210246097.db2.gz BFFPFVLJLIJHIK-SFHVURJKSA-N -1 3 338.407 2.593 50 0 EFAAHM CCc1nc2onc(-c3ccc(Br)s3)c2c(=O)[n-]1 ZINC000004629505 210235299 /nfs/dbraw/zinc/23/52/99/210235299.db2.gz WHOQSMZXGSAZHW-UHFFFAOYSA-N -1 3 326.175 2.965 50 0 EFAAHM Cc1cc(-c2csc(S(=O)(=O)[N-]Cc3cccnc3)c2)on1 ZINC000049545954 214016355 /nfs/dbraw/zinc/01/63/55/214016355.db2.gz BWWYLTNOZQMGCU-UHFFFAOYSA-N -1 3 335.410 2.585 50 0 EFAAHM Cc1ccc(SCCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000004496522 210203232 /nfs/dbraw/zinc/20/32/32/210203232.db2.gz MOIXWHQOHHXZHT-UHFFFAOYSA-N -1 3 340.404 3.000 50 0 EFAAHM Cc1cc(C)cc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c1 ZINC000101212965 219118918 /nfs/dbraw/zinc/11/89/18/219118918.db2.gz UIOZDPTWVJDJDX-WBVHZDCISA-N -1 3 338.338 2.735 50 0 EFAAHM CCOC(=O)C1CCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1 ZINC000004340523 210176308 /nfs/dbraw/zinc/17/63/08/210176308.db2.gz WYTCUSGJIZJOOC-UHFFFAOYSA-N -1 3 345.395 2.582 50 0 biogenic EFAAHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101359409 219124395 /nfs/dbraw/zinc/12/43/95/219124395.db2.gz JFLNOABZUVHYEX-RHSMWYFYSA-N -1 3 338.338 2.735 50 0 EFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccccc3)CC2)c(=O)[n-]1 ZINC000066763459 215077075 /nfs/dbraw/zinc/07/70/75/215077075.db2.gz CEGOVMZYWFOORJ-KRWDZBQOSA-N -1 3 339.439 2.726 50 0 EFAAHM CCOC(=O)c1sc2[n-]c(CN3CCC(C)CC3)nc(=O)c2c1C ZINC000003308068 210003041 /nfs/dbraw/zinc/00/30/41/210003041.db2.gz XIJQPBGBLYDELJ-UHFFFAOYSA-N -1 3 349.456 2.702 50 0 EFAAHM Cc1cccc(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)c1[O-] ZINC000067655102 215175669 /nfs/dbraw/zinc/17/56/69/215175669.db2.gz CSLKCJYPNHEGMN-OAHLLOKOSA-N -1 3 328.412 2.936 50 0 EFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](NCc1c(F)ccc(C)c1F)C2 ZINC000067726620 215196197 /nfs/dbraw/zinc/19/61/97/215196197.db2.gz ABMCAMIUXCTKKY-NSHDSACASA-N -1 3 349.381 2.835 50 0 EFAAHM CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1c([O-])cccc1O ZINC000067774795 215211264 /nfs/dbraw/zinc/21/12/64/215211264.db2.gz CJKZXVGOKMPBES-AWEZNQCLSA-N -1 3 326.396 2.696 50 0 EFAAHM CC(=O)c1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000036180637 213075961 /nfs/dbraw/zinc/07/59/61/213075961.db2.gz HUSIHXHCEJZERG-UHFFFAOYSA-N -1 3 337.372 2.849 50 0 EFAAHM O=C(c1ccncc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000000052090 209391320 /nfs/dbraw/zinc/39/13/20/209391320.db2.gz HBARWKVUQFXPDM-RISCZKNCSA-N -1 3 327.306 2.725 50 0 EFAAHM Cc1nc(C2CCN(c3cc(Cl)c4cc[nH]c4n3)CC2)cc(=O)[n-]1 ZINC000072447583 216237159 /nfs/dbraw/zinc/23/71/59/216237159.db2.gz ZYPJPGQWNCATAT-UHFFFAOYSA-N -1 3 343.818 2.992 50 0 EFAAHM CCN1C[C@]2(CCCN(C(=O)c3cccc(C)c3[O-])C2)CCC1=O ZINC000072474803 216251253 /nfs/dbraw/zinc/25/12/53/216251253.db2.gz UFWQLDJBDAQVJS-IBGZPJMESA-N -1 3 330.428 2.565 50 0 EFAAHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1cccs1 ZINC000075156061 216588233 /nfs/dbraw/zinc/58/82/33/216588233.db2.gz DIMVKNIMMRNAKN-CQSZACIVSA-N -1 3 345.873 2.729 50 0 EFAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cncc(-c2ccsc2)c1 ZINC000206949713 241056263 /nfs/dbraw/zinc/05/62/63/241056263.db2.gz JFTMLEOHJWSPRU-UHFFFAOYSA-N -1 3 349.437 2.893 50 0 EFAAHM O=c1[nH]c(=S)[nH]c([O-])c1[C@@H]1NCCc2c3cc(Cl)ccc3[nH]c21 ZINC000020759752 212169923 /nfs/dbraw/zinc/16/99/23/212169923.db2.gz JUVBSRQOLFUIMA-LBPRGKRZSA-N -1 3 348.815 2.508 50 0 biogenic EFAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1cccn1C1CC1 ZINC000253534888 244006614 /nfs/dbraw/zinc/00/66/14/244006614.db2.gz QHRZDBGEYRMEFA-JOCQHMNTSA-N -1 3 338.411 2.872 50 0 EFAAHM CNc1cc(C)nc(N[C@H]2C[C@H](c3cc(=O)[n-]c(C4CC4)n3)C2)n1 ZINC000253534935 244007315 /nfs/dbraw/zinc/00/73/15/244007315.db2.gz XVVCCWMDKWWHOC-HAQNSBGRSA-N -1 3 326.404 2.558 50 0 EFAAHM Cc1ccc(CC(=O)N[C@@H]2C[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1C ZINC000253535394 244010319 /nfs/dbraw/zinc/01/03/19/244010319.db2.gz OCMHGUDFVIQCSV-IYBDPMFKSA-N -1 3 325.412 2.712 50 0 EFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2)c(Cl)c1 ZINC000019931639 212086041 /nfs/dbraw/zinc/08/60/41/212086041.db2.gz RIKNOYYSPLHELO-UHFFFAOYSA-N -1 3 338.816 2.642 50 0 EFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@@H](CC2CCCCC2)C1 ZINC000019774659 212064657 /nfs/dbraw/zinc/06/46/57/212064657.db2.gz YFPVGLSVDLFPCU-HNNXBMFYSA-N -1 3 328.416 2.769 50 0 EFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@H](CC2CCCCC2)C1 ZINC000019774661 212064580 /nfs/dbraw/zinc/06/45/80/212064580.db2.gz YFPVGLSVDLFPCU-OAHLLOKOSA-N -1 3 328.416 2.769 50 0 EFAAHM O=C(c1ccc([O-])cc1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000352092 296221921 /nfs/dbraw/zinc/22/19/21/296221921.db2.gz HOUUJZSFWDPLLD-RISCZKNCSA-N -1 3 328.290 2.645 50 0 EFAAHM Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)s1 ZINC000012168184 211311215 /nfs/dbraw/zinc/31/12/15/211311215.db2.gz XSEWQUTVDKRDTR-UHFFFAOYSA-N -1 3 342.380 2.778 50 0 EFAAHM Cc1nnc(=O)[n-]c1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000011990586 211275407 /nfs/dbraw/zinc/27/54/07/211275407.db2.gz DSGARHGYAIRFJU-UHFFFAOYSA-N -1 3 345.211 2.923 50 0 EFAAHM COc1ccccc1[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1C(=O)[O-] ZINC000091452743 218009058 /nfs/dbraw/zinc/00/90/58/218009058.db2.gz GCOSAFBQXJFOJC-JKSUJKDBSA-N -1 3 330.384 2.600 50 0 EFAAHM CC(C)=CCC[C@]1(C)CCC(=O)N(CCc2nc(C)cc(=O)[n-]2)C1 ZINC000091594742 218028628 /nfs/dbraw/zinc/02/86/28/218028628.db2.gz HGZDJLZZMGLUQL-LJQANCHMSA-N -1 3 331.460 2.996 50 0 EFAAHM Cc1ncc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000091677579 218045584 /nfs/dbraw/zinc/04/55/84/218045584.db2.gz SGYFNKXRAFSSAQ-GOSISDBHSA-N -1 3 348.406 2.610 50 0 EFAAHM CCn1ccnc1C1CCN(C(=O)c2cccc(OC)c2[O-])CC1 ZINC000092021798 218105257 /nfs/dbraw/zinc/10/52/57/218105257.db2.gz BRMTXIVYVFBIKI-UHFFFAOYSA-N -1 3 329.400 2.637 50 0 EFAAHM Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1[N-]S(C)(=O)=O ZINC000010314771 211162851 /nfs/dbraw/zinc/16/28/51/211162851.db2.gz SVSULJBIFVDHTM-UHFFFAOYSA-N -1 3 340.351 2.897 50 0 EFAAHM CCS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000010112434 211148697 /nfs/dbraw/zinc/14/86/97/211148697.db2.gz UWKDUGVRKGOQJG-UHFFFAOYSA-N -1 3 330.409 2.651 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)ccc1F ZINC000009828284 211126008 /nfs/dbraw/zinc/12/60/08/211126008.db2.gz NTRNWJFPJZMXMP-UHFFFAOYSA-N -1 3 334.372 2.820 50 0 EFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000009572731 211102232 /nfs/dbraw/zinc/10/22/32/211102232.db2.gz HYFSRSPEEYEIDW-UHFFFAOYSA-N -1 3 330.409 2.623 50 0 EFAAHM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]Cc3ccco3)s2)c1C ZINC000009686681 211113337 /nfs/dbraw/zinc/11/33/37/211113337.db2.gz DKOQIRXEFMTTIG-UHFFFAOYSA-N -1 3 337.426 2.827 50 0 EFAAHM Cc1cccc(C)c1OC1CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000095365688 218297869 /nfs/dbraw/zinc/29/78/69/218297869.db2.gz HHPVBOMZGHYSKU-UHFFFAOYSA-N -1 3 329.371 2.980 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000008962492 211023656 /nfs/dbraw/zinc/02/36/56/211023656.db2.gz VNLUJQQSQJHANB-UHFFFAOYSA-N -1 3 346.408 2.689 50 0 EFAAHM O=C([O-])[C@@H](c1cccc(O)c1)N1CCC(OCc2cccnc2)CC1 ZINC000095383641 218315366 /nfs/dbraw/zinc/31/53/66/218315366.db2.gz YGMLQFPVEYUNQD-GOSISDBHSA-N -1 3 342.395 2.594 50 0 EFAAHM CN(C)c1ncc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095386023 218317823 /nfs/dbraw/zinc/31/78/23/218317823.db2.gz ZMHFKALJKYSMRP-QGZVFWFLSA-N -1 3 340.427 2.620 50 0 EFAAHM CC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2[O-])n1CC ZINC000004999201 210356394 /nfs/dbraw/zinc/35/63/94/210356394.db2.gz JTCPFDAZYAKJJO-NSHDSACASA-N -1 3 334.445 2.677 50 0 EFAAHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000004850838 210299382 /nfs/dbraw/zinc/29/93/82/210299382.db2.gz QTTNELSNAZFUKS-UHFFFAOYSA-N -1 3 343.408 2.832 50 0 EFAAHM C[C@H]1SC([N-]C(=O)CSc2nc3ccccc3s2)=NC1=O ZINC000004806631 210281611 /nfs/dbraw/zinc/28/16/11/210281611.db2.gz JHPLXOMLOCQYCE-SSDOTTSWSA-N -1 3 337.451 2.523 50 0 EFAAHM COc1cc2c(cc1CN1CCCC[C@H]1CC(=O)[O-])OCCCO2 ZINC000097499473 219030403 /nfs/dbraw/zinc/03/04/03/219030403.db2.gz MNCVQSCFMWHESM-AWEZNQCLSA-N -1 3 335.400 2.686 50 0 EFAAHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000299790841 258096643 /nfs/dbraw/zinc/09/66/43/258096643.db2.gz CDPSCSARNFPLQE-KRWDZBQOSA-N -1 3 341.411 2.544 50 0 EFAAHM COc1ccc(NC(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)cc1 ZINC000299793064 258098199 /nfs/dbraw/zinc/09/81/99/258098199.db2.gz JDVGWQGLAUYPRQ-UHFFFAOYSA-N -1 3 342.399 2.911 50 0 EFAAHM Cc1ccc([O-])c(CN(CCCn2ccnc2)Cc2cccnc2)n1 ZINC000055060718 258061255 /nfs/dbraw/zinc/06/12/55/258061255.db2.gz VAXXIEGBURCETF-UHFFFAOYSA-N -1 3 337.427 2.780 50 0 EFAAHM Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)nc3)C2)cc(=O)[n-]1 ZINC000299758366 258076259 /nfs/dbraw/zinc/07/62/59/258076259.db2.gz PBPAFGVCCCCHME-LLVKDONJSA-N -1 3 347.806 2.951 50 0 EFAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C([O-])N1c1ccc(F)cc1 ZINC000101500110 275028777 /nfs/dbraw/zinc/02/87/77/275028777.db2.gz BKPXFHDRFFXARJ-UKRRQHHQSA-N -1 3 344.729 2.772 50 0 EFAAHM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000009828246 277009377 /nfs/dbraw/zinc/00/93/77/277009377.db2.gz KKCLTFWFXHVIJH-UHFFFAOYSA-N -1 3 334.372 2.536 50 0 EFAAHM CC(C)(C)OC(=O)NC1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000012648491 277197245 /nfs/dbraw/zinc/19/72/45/277197245.db2.gz UPZMQRZINKLLKM-HNNXBMFYSA-N -1 3 334.416 2.801 50 0 EFAAHM CC(C)n1[n-]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1ccc(O)cc1 ZINC000072406305 280790630 /nfs/dbraw/zinc/79/06/30/280790630.db2.gz ZBKPGLWQOBNANY-UHFFFAOYSA-N -1 3 342.380 2.993 50 0 EFAAHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101203953 281204041 /nfs/dbraw/zinc/20/40/41/281204041.db2.gz JFLNOABZUVHYEX-PBHICJAKSA-N -1 3 338.338 2.735 50 0 EFAAHM Cc1sc2[n-]c(CN3CCOCC3)nc(=O)c2c1-c1ccccc1 ZINC000019926610 294082759 /nfs/dbraw/zinc/08/27/59/294082759.db2.gz ZYOYGWZEEITFMX-UHFFFAOYSA-N -1 3 341.436 2.792 50 0 EFAAHM COc1cc2c(cc1CN1CCCC[C@@H]1CC(=O)[O-])OCCCO2 ZINC000097499472 295033234 /nfs/dbraw/zinc/03/32/34/295033234.db2.gz MNCVQSCFMWHESM-CQSZACIVSA-N -1 3 335.400 2.686 50 0 EFAAHM COc1ccc(CN2CCC3(CCOCC3)CC2)cc1OCC(=O)[O-] ZINC000215289826 295128417 /nfs/dbraw/zinc/12/84/17/295128417.db2.gz 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ZINC000000147975 471328275 /nfs/dbraw/zinc/32/82/75/471328275.db2.gz YTOLEGCNERKHRC-UHFFFAOYSA-N -1 3 341.845 2.767 50 0 EFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C)c(C)c2)N1 ZINC000000286180 471343600 /nfs/dbraw/zinc/34/36/00/471343600.db2.gz DUVMXJLYXDXVEW-CQSZACIVSA-N -1 3 330.306 2.541 50 0 EFAAHM O=C(Cc1ccccc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000000302376 471344803 /nfs/dbraw/zinc/34/48/03/471344803.db2.gz IBKROSLURNUKDB-IUODEOHRSA-N -1 3 326.318 2.868 50 0 EFAAHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)cc1Cl ZINC000000310220 471346154 /nfs/dbraw/zinc/34/61/54/471346154.db2.gz BTIHIHBWVGQIIQ-UHFFFAOYSA-N -1 3 347.223 2.876 50 0 EFAAHM COc1ccccc1C(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000000352163 471350831 /nfs/dbraw/zinc/35/08/31/471350831.db2.gz KTNYFKVEQILOGW-XHDPSFHLSA-N -1 3 342.317 2.948 50 0 EFAAHM CC(C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc1 ZINC000000367745 471351675 /nfs/dbraw/zinc/35/16/75/471351675.db2.gz FDZSBOHMJDSUPA-UHFFFAOYSA-N -1 3 338.363 2.711 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1C ZINC000000470429 471364462 /nfs/dbraw/zinc/36/44/62/471364462.db2.gz QVSAQRHPIVERKP-UHFFFAOYSA-N -1 3 337.397 2.822 50 0 EFAAHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000000479649 471365437 /nfs/dbraw/zinc/36/54/37/471365437.db2.gz YIIOQNZNHNSROZ-UHFFFAOYSA-N -1 3 335.381 2.591 50 0 EFAAHM CC(=O)c1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000001075515 471381183 /nfs/dbraw/zinc/38/11/83/471381183.db2.gz WNATXFSRJGRNMT-UHFFFAOYSA-N -1 3 332.381 2.513 50 0 EFAAHM CN1c2ccccc2[C@](O)(CC(=O)c2ccc3ccccc3c2[O-])C1=O ZINC000001064194 471381227 /nfs/dbraw/zinc/38/12/27/471381227.db2.gz UIIHNNCGCDUWMK-OAQYLSRUSA-N -1 3 347.370 2.982 50 0 EFAAHM O=S(=O)([N-]C1CCCCC1)c1ccc(-c2csnn2)s1 ZINC000001404501 471389321 /nfs/dbraw/zinc/38/93/21/471389321.db2.gz JIILDQFDAWMOHY-UHFFFAOYSA-N -1 3 329.472 2.878 50 0 EFAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(C)=O)C(F)(F)F ZINC000002050545 471401663 /nfs/dbraw/zinc/40/16/63/471401663.db2.gz AIVSOKBSSQFLFG-LBPRGKRZSA-N -1 3 338.713 2.710 50 0 EFAAHM O=C(N1CCCCC1)[C@]([O-])(c1c[nH]c2ccccc21)C(F)(F)F ZINC000002052715 471401753 /nfs/dbraw/zinc/40/17/53/471401753.db2.gz XWWDSEWHJJXAHD-OAHLLOKOSA-N -1 3 326.318 2.930 50 0 EFAAHM CCOC(=O)[C@@]([N-]c1cc(F)ccc1C)(NC(C)=O)C(F)(F)F ZINC000002257439 471404184 /nfs/dbraw/zinc/40/41/84/471404184.db2.gz ABCUGIPNPDOJQT-ZDUSSCGKSA-N -1 3 336.285 2.504 50 0 EFAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)OC)cc1)C(F)(F)F ZINC000002900764 471427181 /nfs/dbraw/zinc/42/71/81/471427181.db2.gz LUHMCGKJMJCURM-CQSZACIVSA-N -1 3 349.305 2.592 50 0 EFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(-n3cccc3)cc2)N1 ZINC000004151070 471459977 /nfs/dbraw/zinc/45/99/77/471459977.db2.gz QRWYOLPKBHTXJZ-OAHLLOKOSA-N -1 3 337.301 2.950 50 0 EFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000005902436 471525761 /nfs/dbraw/zinc/52/57/61/471525761.db2.gz OQNLGDZCDKFPFW-AWEZNQCLSA-N -1 3 347.396 2.673 50 0 EFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NC3CCCC3)cc2O1 ZINC000006624532 471555332 /nfs/dbraw/zinc/55/53/32/471555332.db2.gz DDQIPSQHKBLJGZ-UHFFFAOYSA-N -1 3 333.384 2.574 50 0 biogenic EFAAHM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000006730796 471563645 /nfs/dbraw/zinc/56/36/45/471563645.db2.gz QEHGVXFCXMMLRQ-MSOLQXFVSA-N -1 3 348.487 2.911 50 0 EFAAHM CC(C)(C)OC(=O)NC1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000012648489 471787267 /nfs/dbraw/zinc/78/72/67/471787267.db2.gz UPZMQRZINKLLKM-OAHLLOKOSA-N -1 3 334.416 2.801 50 0 EFAAHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc2nonc21 ZINC000013938942 471845283 /nfs/dbraw/zinc/84/52/83/471845283.db2.gz RFXACCBPBYERLG-GFCCVEGCSA-N -1 3 331.397 2.522 50 0 EFAAHM O=S(=O)([N-]CCCCc1ccccc1)c1cccc2nonc21 ZINC000013938329 471845659 /nfs/dbraw/zinc/84/56/59/471845659.db2.gz DGKZRCJEFPFARN-UHFFFAOYSA-N -1 3 331.397 2.524 50 0 EFAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCCC1 ZINC000014051391 471848879 /nfs/dbraw/zinc/84/88/79/471848879.db2.gz FRQCKJMOXCNXHR-UHFFFAOYSA-N -1 3 348.399 2.863 50 0 EFAAHM Cc1nnc(=O)[n-]c1SCC(=O)Nc1ccc2ccccc2c1 ZINC000015831101 471918858 /nfs/dbraw/zinc/91/88/58/471918858.db2.gz RNSMIHDOURHCGR-UHFFFAOYSA-N -1 3 326.381 2.770 50 0 EFAAHM Cc1ccc(NC(=O)C=C2[N-]S(=O)(=O)c3ccccc3N2)cc1C ZINC000015826693 471919253 /nfs/dbraw/zinc/91/92/53/471919253.db2.gz CTGIUEYYGFMIHF-UHFFFAOYSA-N -1 3 343.408 2.654 50 0 EFAAHM CCc1nnc([N-]C(=O)c2nnn(-c3ccc(CC)cc3)c2C)s1 ZINC000016577749 471941567 /nfs/dbraw/zinc/94/15/67/471941567.db2.gz SVJMGQCRQCCMEX-UHFFFAOYSA-N -1 3 342.428 2.804 50 0 EFAAHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(OC)c1 ZINC000017066584 471954260 /nfs/dbraw/zinc/95/42/60/471954260.db2.gz UITJUSMAEWCANG-UHFFFAOYSA-N -1 3 325.361 2.952 50 0 EFAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2CC1=O ZINC000017288987 471960417 /nfs/dbraw/zinc/96/04/17/471960417.db2.gz YLFSTVKXVBPHPZ-UHFFFAOYSA-N -1 3 330.409 2.705 50 0 EFAAHM CC[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)OC ZINC000018045128 471967764 /nfs/dbraw/zinc/96/77/64/471967764.db2.gz DUTFCCNJYVVJGB-LBPRGKRZSA-N -1 3 344.396 2.565 50 0 EFAAHM COCCN(Cc1cccs1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000041846127 472090121 /nfs/dbraw/zinc/09/01/21/472090121.db2.gz ZMDDFNZLYHPPMA-UHFFFAOYSA-N -1 3 342.420 2.878 50 0 EFAAHM CC(=O)Nc1cccc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)c1 ZINC000044900525 472351096 /nfs/dbraw/zinc/35/10/96/472351096.db2.gz UMOFFPJWLIYAIX-UHFFFAOYSA-N -1 3 339.326 2.878 50 0 EFAAHM CC(=O)Nc1cccc(NC(=O)c2cnc3ccc(F)cc3c2[O-])c1 ZINC000044900525 472351100 /nfs/dbraw/zinc/35/11/00/472351100.db2.gz UMOFFPJWLIYAIX-UHFFFAOYSA-N -1 3 339.326 2.878 50 0 EFAAHM O=C(c1c[n-]c2ccc(OC(F)(F)F)cc2c1=O)N1CCCC1 ZINC000044903307 472351134 /nfs/dbraw/zinc/35/11/34/472351134.db2.gz PPPWDNGCXKDPLT-UHFFFAOYSA-N -1 3 326.274 2.663 50 0 EFAAHM O=C([O-])C1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000057312289 472414857 /nfs/dbraw/zinc/41/48/57/472414857.db2.gz OVHGWDWEZOEXRT-UHFFFAOYSA-N -1 3 327.380 2.578 50 0 EFAAHM COc1ccc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)c(OC)c1 ZINC000032606283 472447276 /nfs/dbraw/zinc/44/72/76/472447276.db2.gz LCKIAKSTHJJLPU-UHFFFAOYSA-N -1 3 342.326 2.937 50 0 EFAAHM COc1ccc(NC(=O)c2cnc3ccc(F)cc3c2[O-])c(OC)c1 ZINC000032606283 472447283 /nfs/dbraw/zinc/44/72/83/472447283.db2.gz LCKIAKSTHJJLPU-UHFFFAOYSA-N -1 3 342.326 2.937 50 0 EFAAHM CCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1 ZINC000057520801 472447908 /nfs/dbraw/zinc/44/79/08/472447908.db2.gz FCJMZAQNHXHSKV-UHFFFAOYSA-N -1 3 342.424 2.853 50 0 EFAAHM O=S(=O)([N-]C[C@@H](O)c1cccc2ccccc21)c1cccs1 ZINC000070761445 472508973 /nfs/dbraw/zinc/50/89/73/472508973.db2.gz FISDQJFPYPYHLF-OAHLLOKOSA-N -1 3 333.434 2.913 50 0 EFAAHM COc1cc(CN2CCN(c3cccnc3)CC2)cc(Cl)c1[O-] ZINC000077378200 472515964 /nfs/dbraw/zinc/51/59/64/472515964.db2.gz YWNYXHVLQOLIOG-UHFFFAOYSA-N -1 3 333.819 2.771 50 0 EFAAHM O=C([O-])c1cc(CN2CCCC[C@@H]2CCn2ccnc2)ccc1O ZINC000077504999 472541564 /nfs/dbraw/zinc/54/15/64/472541564.db2.gz ZKYRCJKPHPSLBE-OAHLLOKOSA-N -1 3 329.400 2.732 50 0 EFAAHM Cc1cc(N2CCC[C@@](Cc3ccccc3C)(C(=O)[O-])C2)nc(N)n1 ZINC000071754514 472560244 /nfs/dbraw/zinc/56/02/44/472560244.db2.gz ZZHINVPRFSAPSE-IBGZPJMESA-N -1 3 340.427 2.590 50 0 EFAAHM Cc1nc(-c2ccco2)sc1C[N-]S(=O)(=O)c1cccnc1 ZINC000090593498 472641116 /nfs/dbraw/zinc/64/11/16/472641116.db2.gz RUTDHIWROLTUDF-UHFFFAOYSA-N -1 3 335.410 2.585 50 0 EFAAHM CCCCc1cc(=O)[n-]c(-c2ccc(CN3CCOCC3)cc2)n1 ZINC000048436117 472877320 /nfs/dbraw/zinc/87/73/20/472877320.db2.gz FJNMEDZOOWXTOL-UHFFFAOYSA-N -1 3 327.428 2.612 50 0 EFAAHM CC(C)N(Cc1cccc(F)c1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000065415456 472938865 /nfs/dbraw/zinc/93/88/65/472938865.db2.gz SJXLLOCRWDXEKN-UHFFFAOYSA-N -1 3 329.379 2.619 50 0 EFAAHM Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cc(CC(C)C)nc(=O)[n-]1 ZINC000220225310 474153368 /nfs/dbraw/zinc/15/33/68/474153368.db2.gz HFICIFLCJQUEFG-LBPRGKRZSA-N -1 3 346.456 2.541 50 0 EFAAHM Cc1cc(C(=O)N[C@H]2C[C@H](c3cc(=O)[n-]c(C4CC4)n3)C2)c(C)o1 ZINC000222493696 474170215 /nfs/dbraw/zinc/17/02/15/474170215.db2.gz 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479451276 /nfs/dbraw/zinc/45/12/76/479451276.db2.gz VJCAZRIJJTWUHC-LLVKDONJSA-N -1 3 331.484 2.644 50 0 EFAAHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)o2)c1 ZINC000575610494 479452800 /nfs/dbraw/zinc/45/28/00/479452800.db2.gz OEPIMHXDXZOWJZ-UHFFFAOYSA-N -1 3 335.385 2.796 50 0 EFAAHM [O-]c1ccc(Cl)c(CNCCN2CCCC[C@@H]2CO)c1Cl ZINC000952989900 1284994720 /nfs/dbraw/zinc/99/47/20/1284994720.db2.gz YXWYSKXSAYIIPA-LLVKDONJSA-N -1 3 333.259 2.635 50 0 EFAAHM Cc1cc([C@H](C(=O)[O-])N2CCC(O)(c3cccnc3)CC2)ccc1F ZINC001506405098 1405753066 /nfs/dbraw/zinc/75/30/66/1405753066.db2.gz IEXSMWOMHVIPIK-QGZVFWFLSA-N -1 3 344.386 2.638 50 0 EFAAHM COc1cc(-c2onc(N[C@@H]3CCCN(C)C3)c2C(=O)[O-])ccc1F ZINC001704311322 1417904096 /nfs/dbraw/zinc/90/40/96/1417904096.db2.gz FKMNZXPXVRREPS-LLVKDONJSA-N -1 3 349.362 2.694 50 0 EFAAHM COc1cc(OC)c(CN2CCC3(CCOCC3)CC2)c(C(=O)[O-])c1 ZINC000097619445 219042184 /nfs/dbraw/zinc/04/21/84/219042184.db2.gz UDNFQVKHHJJAGN-UHFFFAOYSA-N -1 3 349.427 2.795 50 0 EFAAHM 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2.729 50 0 EFAAHM O=C([O-])COCCOCCN(Cc1ccccc1)Cc1ccccc1 ZINC000098213408 219088426 /nfs/dbraw/zinc/08/84/26/219088426.db2.gz XYDYWWMWGAMKMK-UHFFFAOYSA-N -1 3 343.423 2.807 50 0 EFAAHM Cc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1Cl ZINC000004280142 210161260 /nfs/dbraw/zinc/16/12/60/210161260.db2.gz YZLNJFIJHCSCRT-AWEZNQCLSA-N -1 3 336.775 2.813 50 0 EFAAHM O=C([N-]c1nnc(C2=COCCO2)o1)c1ccc(Cl)cc1Cl ZINC000004264492 210155551 /nfs/dbraw/zinc/15/55/51/210155551.db2.gz SGUWWGJRIPOKFI-UHFFFAOYSA-N -1 3 342.138 2.974 50 0 EFAAHM O=S(=O)([N-]Cc1csc(-c2cccnc2)n1)c1cccs1 ZINC000004166831 210136964 /nfs/dbraw/zinc/13/69/64/210136964.db2.gz FIAZGEDORHINTK-UHFFFAOYSA-N -1 3 337.451 2.745 50 0 aggregator EFAAHM COc1ccc2ncc(C(=O)c3ccc(OC)c(OC)c3)c([O-])c2c1 ZINC000067340978 215135288 /nfs/dbraw/zinc/13/52/88/215135288.db2.gz UKQXEFIAJSXCON-UHFFFAOYSA-N -1 3 339.347 2.785 50 0 EFAAHM Cc1cccc(OC2CCN(Cc3c([O-])c(C)ncc3CO)CC2)c1 ZINC000067588288 215165673 /nfs/dbraw/zinc/16/56/73/215165673.db2.gz 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COCC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)ccc2OC)C1 ZINC000091665270 218044704 /nfs/dbraw/zinc/04/47/04/218044704.db2.gz UEEPDKWTXJDJQY-KRWDZBQOSA-N -1 3 325.380 2.538 50 0 EFAAHM CC(C)Cn1cncc1CN1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091713998 218053534 /nfs/dbraw/zinc/05/35/34/218053534.db2.gz NYIRIJKTEVMTQU-ZWKOTPCHSA-N -1 3 345.418 2.978 50 0 EFAAHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C(C)C ZINC000011614123 211227094 /nfs/dbraw/zinc/22/70/94/211227094.db2.gz MOWNEZXLSRCNIN-UHFFFAOYSA-N -1 3 336.251 2.925 50 0 EFAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccco1 ZINC000010334622 211166488 /nfs/dbraw/zinc/16/64/88/211166488.db2.gz QSVZZWMQZOLWGG-SECBINFHSA-N -1 3 334.850 2.576 50 0 EFAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)c3ccccc3)nc2n1 ZINC000009434184 211082709 /nfs/dbraw/zinc/08/27/09/211082709.db2.gz DKAAVYWZDKHOJC-UHFFFAOYSA-N -1 3 325.393 2.910 50 0 EFAAHM O=C(Nc1ccccc1Cl)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009355694 211073759 /nfs/dbraw/zinc/07/37/59/211073759.db2.gz 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EFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000000352104 286284670 /nfs/dbraw/zinc/28/46/70/286284670.db2.gz RIFQOTPGDNQCTB-DOMZBBRYSA-N -1 3 342.317 2.948 50 0 EFAAHM CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cccs1 ZINC000048673950 544447935 /nfs/dbraw/zinc/44/79/35/544447935.db2.gz TVSMLAZFJINCAP-SECBINFHSA-N -1 3 333.866 2.873 50 0 EFAAHM O=C(c1ccc([O-])cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000352095 280189048 /nfs/dbraw/zinc/18/90/48/280189048.db2.gz HOUUJZSFWDPLLD-SMDDNHRTSA-N -1 3 328.290 2.645 50 0 EFAAHM O=C(c1ccccc1-c1ccccc1)N1CCc2c(nc[n-]c2=O)C1 ZINC000071745596 304564063 /nfs/dbraw/zinc/56/40/63/304564063.db2.gz JSUKWGCOTAXZHR-UHFFFAOYSA-N -1 3 331.375 2.635 50 0 EFAAHM Cc1nn(C)c(C)c1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C(C)C ZINC000079479508 302780235 /nfs/dbraw/zinc/78/02/35/302780235.db2.gz RMBZCOYJJLTLEX-CYBMUJFWSA-N -1 3 335.433 2.944 50 0 EFAAHM COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1oc(C)cc(=O)c1[O-] ZINC000095477433 473211239 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COc1ccc(Cl)cc1C(=O)N1NC(C)=C[C@]1([O-])C(F)(F)F ZINC000000204399 471334829 /nfs/dbraw/zinc/33/48/29/471334829.db2.gz LBOHIURHEHIWGY-LBPRGKRZSA-N -1 3 336.697 2.821 50 0 EFAAHM CCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)=C2[O-])cc1 ZINC000000522404 471367294 /nfs/dbraw/zinc/36/72/94/471367294.db2.gz GOFABEGNOJDTOE-INIZCTEOSA-N -1 3 326.352 2.613 50 0 EFAAHM O=C(NC1CCCCC1)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000000819442 471376968 /nfs/dbraw/zinc/37/69/68/471376968.db2.gz SJMJMVYLGBSCEY-GOSISDBHSA-N -1 3 338.407 2.721 50 0 EFAAHM O=S(=O)([N-]Cc1ccccc1Br)c1cccs1 ZINC000001055070 471380368 /nfs/dbraw/zinc/38/03/68/471380368.db2.gz NROPKIPQDBNFSR-UHFFFAOYSA-N -1 3 332.244 2.989 50 0 EFAAHM CCCCN(C(C)=O)c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003100043 471432181 /nfs/dbraw/zinc/43/21/81/471432181.db2.gz MLXRCUATNFUBRA-OAHLLOKOSA-N -1 3 347.333 2.763 50 0 EFAAHM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000005328999 471499824 /nfs/dbraw/zinc/49/98/24/471499824.db2.gz HYJMEUSZZROQQR-UHFFFAOYSA-N -1 3 348.399 2.926 50 0 EFAAHM O=C(CSC1=N[C@H](c2ccccc2)CC(=O)[N-]1)NC1CCCCC1 ZINC000006530090 471549479 /nfs/dbraw/zinc/54/94/79/471549479.db2.gz QAIBVZGSWCBWKD-HNNXBMFYSA-N -1 3 345.468 2.786 50 0 EFAAHM CC1=C(C)C[C@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@H](C(=O)[O-])C1 ZINC000006730799 471563460 /nfs/dbraw/zinc/56/34/60/471563460.db2.gz QEHGVXFCXMMLRQ-ZWKOTPCHSA-N -1 3 348.487 2.911 50 0 EFAAHM COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000008714787 471699826 /nfs/dbraw/zinc/69/98/26/471699826.db2.gz ORVLDCYMBARQSD-JTQLQIEISA-N -1 3 348.326 2.977 50 0 EFAAHM COCc1cc(C)nc2sc(C(=O)[N-]c3nnc(C)s3)c(N)c21 ZINC000008737880 471703973 /nfs/dbraw/zinc/70/39/73/471703973.db2.gz TUJADAZFCSHVIY-UHFFFAOYSA-N -1 3 349.441 2.746 50 0 EFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCCCC3)cc2O1 ZINC000013629440 471834738 /nfs/dbraw/zinc/83/47/38/471834738.db2.gz FHQVJYBAWSGIJK-UHFFFAOYSA-N -1 3 333.384 2.527 50 0 EFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1c[nH]c2ccc(C)cc12 ZINC000013641148 471835745 /nfs/dbraw/zinc/83/57/45/471835745.db2.gz FHZLKXFQLJGXPI-UHFFFAOYSA-N -1 3 333.413 2.602 50 0 EFAAHM [O-]c1ccccc1C1N=NC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000013689846 471838969 /nfs/dbraw/zinc/83/89/69/471838969.db2.gz LAMLRUWKJDJKTH-UHFFFAOYSA-N -1 3 327.365 2.716 50 0 EFAAHM CCCCN(C)C(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000013940275 471845330 /nfs/dbraw/zinc/84/53/30/471845330.db2.gz IPKWBNXKTWXNNW-QGZVFWFLSA-N -1 3 344.386 2.670 50 0 EFAAHM O=C([N-]N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000013856798 471845868 /nfs/dbraw/zinc/84/58/68/471845868.db2.gz SUSZGVYSZDCKOU-AOOOYVTPSA-N -1 3 341.194 2.813 50 0 EFAAHM CCCCN(C)C(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000013940276 471845974 /nfs/dbraw/zinc/84/59/74/471845974.db2.gz IPKWBNXKTWXNNW-KRWDZBQOSA-N -1 3 344.386 2.670 50 0 EFAAHM Cc1ccccc1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000015879996 471921504 /nfs/dbraw/zinc/92/15/04/471921504.db2.gz KZCZSUVPBRJTOV-UHFFFAOYSA-N -1 3 325.397 2.906 50 0 EFAAHM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c(OC)c1 ZINC000016578324 471941175 /nfs/dbraw/zinc/94/11/75/471941175.db2.gz XBDYTJIKTRFOMC-UHFFFAOYSA-N -1 3 325.361 2.785 50 0 EFAAHM CCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000016624139 471943763 /nfs/dbraw/zinc/94/37/63/471943763.db2.gz ZKYNNBNBSSMTEK-UHFFFAOYSA-N -1 3 348.424 2.675 50 0 EFAAHM Cc1ccn2c(c1)nc([O-])c(C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1)c2=O ZINC000016689959 471947478 /nfs/dbraw/zinc/94/74/78/471947478.db2.gz OEXDHSXGVISBJO-QWHCGFSZSA-N -1 3 343.427 2.653 50 0 EFAAHM Cc1c([O-])ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC000022625854 472017197 /nfs/dbraw/zinc/01/71/97/472017197.db2.gz CIXVSEUWYFGRKJ-UHFFFAOYSA-N -1 3 344.386 2.550 50 0 EFAAHM Cc1ccc(C(c2oc(C)cc(=O)c2[O-])c2oc(C)cc(=O)c2O)o1 ZINC000085875941 472269761 /nfs/dbraw/zinc/26/97/61/472269761.db2.gz XJVRWAWOVHMTHT-UHFFFAOYSA-N -1 3 344.319 2.703 50 0 biogenic EFAAHM Cc1sc(-n2cnnn2)c(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000044903798 472350526 /nfs/dbraw/zinc/35/05/26/472350526.db2.gz AWYHXNYYXJQVLR-UHFFFAOYSA-N -1 3 349.803 2.952 50 0 EFAAHM O=C(c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)N1CCCC1 ZINC000044922030 472353492 /nfs/dbraw/zinc/35/34/92/472353492.db2.gz MZXDWPFOOAGXID-UHFFFAOYSA-N -1 3 326.274 2.663 50 0 EFAAHM O=S(=O)([N-]CCc1ncc2ccccn21)c1ccc(Cl)s1 ZINC000031773185 472394263 /nfs/dbraw/zinc/39/42/63/472394263.db2.gz GXIFFKXDPUXXTH-UHFFFAOYSA-N -1 3 341.845 2.570 50 0 EFAAHM O=C(c1c[nH]c(=O)cc1[O-])N1CCCC[C@H]1CCc1cccs1 ZINC000077301166 472496178 /nfs/dbraw/zinc/49/61/78/472496178.db2.gz NVOZRLMATVKILL-LBPRGKRZSA-N -1 3 332.425 2.770 50 0 EFAAHM O=C(c1ccccc1[O-])N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077387586 472518615 /nfs/dbraw/zinc/51/86/15/472518615.db2.gz GGVZBLYXYGMHIB-HXUWFJFHSA-N -1 3 342.439 2.647 50 0 EFAAHM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc(Cl)c1 ZINC000101360815 472531872 /nfs/dbraw/zinc/53/18/72/472531872.db2.gz USNDXTUOUFUALX-DZGCQCFKSA-N -1 3 344.729 2.772 50 0 EFAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101344381 472531906 /nfs/dbraw/zinc/53/19/06/472531906.db2.gz GFTMSRRRMHVJGP-NVXWUHKLSA-N -1 3 338.338 2.735 50 0 EFAAHM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000101344156 472532015 /nfs/dbraw/zinc/53/20/15/472532015.db2.gz CYJVYJJDPLGRDH-DZGCQCFKSA-N -1 3 344.729 2.772 50 0 EFAAHM O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077489201 472538079 /nfs/dbraw/zinc/53/80/79/472538079.db2.gz NYYUIUOSNMNUHF-HXUWFJFHSA-N -1 3 342.439 2.647 50 0 EFAAHM COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc(OC)c1O ZINC000071283735 472547689 /nfs/dbraw/zinc/54/76/89/472547689.db2.gz YSEGCZIBVVYBKD-JTQLQIEISA-N -1 3 347.371 2.604 50 0 EFAAHM Cc1ccc([O-])c(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1 ZINC000071764132 472562803 /nfs/dbraw/zinc/56/28/03/472562803.db2.gz JTYWXCDEDXSCOD-QGZVFWFLSA-N -1 3 344.455 2.810 50 0 EFAAHM Cc1noc2nc(C)cc(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)c12 ZINC000061721892 472716183 /nfs/dbraw/zinc/71/61/83/472716183.db2.gz CVHWOENGHWETSH-SNVBAGLBSA-N -1 3 345.384 2.795 50 0 EFAAHM CC(C)N1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC000091288597 472753152 /nfs/dbraw/zinc/75/31/52/472753152.db2.gz VZJJQAXUKSXZSJ-UHFFFAOYSA-N -1 3 330.428 2.645 50 0 EFAAHM COC[C@H](C)NCc1cc(=O)[n-]c(-c2csc3c2CCCC3)n1 ZINC000063847112 472819754 /nfs/dbraw/zinc/81/97/54/472819754.db2.gz VTQZHRZYGZMVQL-NSHDSACASA-N -1 3 333.457 2.502 50 0 EFAAHM O=C([O-])c1cccnc1CN1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000065372445 472928175 /nfs/dbraw/zinc/92/81/75/472928175.db2.gz NJACPIZEYLJXJN-IBGZPJMESA-N -1 3 340.423 2.595 50 0 EFAAHM Cc1nc(C2CCN(Cc3nc(-c4ccco4)no3)CC2)cc(=O)[n-]1 ZINC000065393779 472932094 /nfs/dbraw/zinc/93/20/94/472932094.db2.gz YJHRBOSIYOPCTB-UHFFFAOYSA-N -1 3 341.371 2.513 50 0 EFAAHM O=S(=O)([N-]C[C@@H](O)c1ccoc1)c1cc(Cl)ccc1Cl ZINC000075171893 473145860 /nfs/dbraw/zinc/14/58/60/473145860.db2.gz ABMLLPZCXDWJMV-LLVKDONJSA-N -1 3 336.196 2.598 50 0 EFAAHM Cc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000095383106 473193846 /nfs/dbraw/zinc/19/38/46/473193846.db2.gz XSZVPSZUFLTOBD-KRWDZBQOSA-N -1 3 348.418 2.594 50 0 EFAAHM COc1cc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)ccc1[O-] ZINC000222312215 474168285 /nfs/dbraw/zinc/16/82/85/474168285.db2.gz DORLSXMZBALWFV-LIRZEXBASA-N -1 3 331.412 2.724 50 0 EFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3cccn3C(C)C)C2)cc(=O)[n-]1 ZINC000252489333 474675745 /nfs/dbraw/zinc/67/57/45/474675745.db2.gz JOJPZTFKPJBGBC-CQSZACIVSA-N -1 3 328.416 2.893 50 0 EFAAHM O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1cc(=O)[n-]cn1 ZINC000252552915 474697764 /nfs/dbraw/zinc/69/77/64/474697764.db2.gz VFSBOJLUJJVUEQ-UHFFFAOYSA-N -1 3 349.325 2.888 50 0 EFAAHM COC(=O)C[C@H](c1cccc(O)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253407450 474739019 /nfs/dbraw/zinc/73/90/19/474739019.db2.gz JWOXRXJKFLGCHR-CQSZACIVSA-N -1 3 340.331 2.899 50 0 biogenic EFAAHM COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc([O-])c2)cc1 ZINC000261493863 474981314 /nfs/dbraw/zinc/98/13/14/474981314.db2.gz KXYOOBUDIXLGJW-UHFFFAOYSA-N -1 3 333.409 2.754 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c(Cl)cc1F ZINC000452010324 476774230 /nfs/dbraw/zinc/77/42/30/476774230.db2.gz AVAINFDHBSPKIC-LLVKDONJSA-N -1 3 335.828 2.883 50 0 EFAAHM COc1c[n-]c(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1=O ZINC000524733188 478390905 /nfs/dbraw/zinc/39/09/05/478390905.db2.gz CTNUMAHDWZHTBN-UHFFFAOYSA-N -1 3 328.246 2.534 50 0 EFAAHM CC[C@H](NC(=O)c1cc([O-])cc(C(=O)OC)c1)c1ccc(C)cn1 ZINC000584888314 479272914 /nfs/dbraw/zinc/27/29/14/479272914.db2.gz PBXFHNGVUVCOOV-HNNXBMFYSA-N -1 3 328.368 2.763 50 0 EFAAHM CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)[O-] ZINC000216459281 535977680 /nfs/dbraw/zinc/97/76/80/535977680.db2.gz DKVCMFXLLIXABK-UHFFFAOYSA-N -1 3 329.352 2.607 50 0 EFAAHM Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3ccon3)s2)cs1 ZINC000670474101 547495898 /nfs/dbraw/zinc/49/58/98/547495898.db2.gz VOBAMPVQBZBUIG-UHFFFAOYSA-N -1 3 341.439 2.647 50 0 EFAAHM COc1cc2nc(-c3cc(C)c([O-])cc3F)nc(N)c2cc1OC ZINC001772707056 1249293466 /nfs/dbraw/zinc/29/34/66/1249293466.db2.gz YYLYVYVWPCBDCU-UHFFFAOYSA-N -1 3 329.331 2.880 50 0 EFAAHM Cc1ncc(-c2nc(CCC(C)C)nn2CC(F)(F)F)c(=O)[n-]1 ZINC000821175225 1264898851 /nfs/dbraw/zinc/89/88/51/1264898851.db2.gz RSLRPIUYDOHVNS-UHFFFAOYSA-N -1 3 329.326 2.900 50 0 EFAAHM CCc1noc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000823569267 1265394481 /nfs/dbraw/zinc/39/44/81/1265394481.db2.gz BKZBXVGCIIBHDQ-SECBINFHSA-N -1 3 329.809 2.633 50 0 EFAAHM COCCn1cncc1CN1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095369027 1292082997 /nfs/dbraw/zinc/08/29/97/1292082997.db2.gz IRRSOSTZNIIFIK-QGZVFWFLSA-N -1 3 343.427 2.607 50 0 EFAAHM CS(=O)(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244459152 1314382348 /nfs/dbraw/zinc/38/23/48/1314382348.db2.gz ZISAJAITNMIPMZ-UHFFFAOYSA-N -1 3 333.287 2.756 50 0 EFAAHM CC[C@H]1C=CCN1Cc1cc(-c2cnccn2)ccc1OCC(=O)[O-] ZINC001506402144 1405751885 /nfs/dbraw/zinc/75/18/85/1405751885.db2.gz 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241198232 /nfs/dbraw/zinc/19/82/32/241198232.db2.gz UNSJYNLXHVRLEJ-UHFFFAOYSA-N -1 3 326.396 2.961 50 0 EFAAHM Cc1cc(=O)[n-]c(CCNC(=O)C2c3ccccc3-c3ccccc32)n1 ZINC000223152572 241606667 /nfs/dbraw/zinc/60/66/67/241606667.db2.gz VFCXNVUMGHWWCV-UHFFFAOYSA-N -1 3 345.402 2.550 50 0 EFAAHM Cc1ccc(F)c(C(=O)N[C@H]2C[C@H](c3cc(=O)[n-]cn3)C2)c1Cl ZINC000253534770 244006689 /nfs/dbraw/zinc/00/66/89/244006689.db2.gz AYGQCSRBEFQSND-MGCOHNPYSA-N -1 3 335.766 2.959 50 0 EFAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1)c1cc(-c2ccccc2)on1 ZINC000253534890 244007654 /nfs/dbraw/zinc/00/76/54/244007654.db2.gz QYHZULGVKCZNGZ-JOCQHMNTSA-N -1 3 336.351 2.513 50 0 EFAAHM O=C(NCc1ccc(Cl)cc1)N[C@H]1C[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000253535484 244008688 /nfs/dbraw/zinc/00/86/88/244008688.db2.gz VKZGBFFHAJACTE-BJHJDKERSA-N -1 3 332.791 2.581 50 0 EFAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1)c1c[nH]nc1C1CCCCC1 ZINC000253535864 244010717 /nfs/dbraw/zinc/01/07/17/244010717.db2.gz UXXVTIYWIXBBBF-JOCQHMNTSA-N -1 3 341.415 2.629 50 0 EFAAHM CC(C)CN1CCN(Cc2ccc([O-])c(Cl)c2)C[C@@H]1CCO ZINC000020272015 212115648 /nfs/dbraw/zinc/11/56/48/212115648.db2.gz BRRSCNLIZHLHKT-HNNXBMFYSA-N -1 3 326.868 2.570 50 0 EFAAHM O=c1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000019793436 212068628 /nfs/dbraw/zinc/06/86/28/212068628.db2.gz MNDVABUGRYCXQG-UHFFFAOYSA-N -1 3 346.434 2.682 50 0 EFAAHM O=C([O-])[C@@H]1[C@H](c2ccccc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000252587060 304160149 /nfs/dbraw/zinc/16/01/49/304160149.db2.gz VJTZVYYNOKAGNU-NYUBLWNDSA-N -1 3 348.402 2.797 50 0 EFAAHM O=C([O-])Cn1ccc([C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)n1 ZINC000426563419 247292876 /nfs/dbraw/zinc/29/28/76/247292876.db2.gz SFODGUKDSJHPNV-OAHLLOKOSA-N -1 3 338.411 2.829 50 0 EFAAHM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000091574581 218023696 /nfs/dbraw/zinc/02/36/96/218023696.db2.gz UMQGOSSMWSRNRF-FQEVSTJZSA-N -1 3 344.455 2.999 50 0 EFAAHM O=C([O-])c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 ZINC000091974081 218096909 /nfs/dbraw/zinc/09/69/09/218096909.db2.gz SGEQEOGBFOJVET-CRAIPNDOSA-N -1 3 342.439 2.608 50 0 EFAAHM O=C([O-])c1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000010450794 211174000 /nfs/dbraw/zinc/17/40/00/211174000.db2.gz JFEINSDICLRSEN-UHFFFAOYSA-N -1 3 338.407 2.779 50 0 EFAAHM CCCCCC[NH2+][C@H](CC(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000010186457 211153693 /nfs/dbraw/zinc/15/36/93/211153693.db2.gz UOTUDJAABTWHAE-CYBMUJFWSA-N -1 3 342.823 2.997 50 0 EFAAHM O=C([O-])[C@@H](c1ccccc1F)N1CCC(O)(c2ccccc2)CC1 ZINC000095370955 218304390 /nfs/dbraw/zinc/30/43/90/218304390.db2.gz URDZFZQIQIVOQF-QGZVFWFLSA-N -1 3 329.371 2.935 50 0 EFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCN(C3CCCC3)CC2)cc1C ZINC000095379793 218312231 /nfs/dbraw/zinc/31/22/31/218312231.db2.gz FMGOEIHKQSYUIJ-SFHVURJKSA-N -1 3 332.444 2.690 50 0 EFAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000008896409 211015836 /nfs/dbraw/zinc/01/58/36/211015836.db2.gz JIGZIJGZFMICGG-CYBMUJFWSA-N -1 3 346.424 2.608 50 0 EFAAHM 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COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C ZINC000000617939 471375084 /nfs/dbraw/zinc/37/50/84/471375084.db2.gz BATCENDYKSYVHL-UHFFFAOYSA-N -1 3 335.381 2.576 50 0 EFAAHM O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000000619667 471375233 /nfs/dbraw/zinc/37/52/33/471375233.db2.gz UYDRRFQVCMZBQH-UHFFFAOYSA-N -1 3 346.795 2.954 50 0 EFAAHM O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000001062176 471381703 /nfs/dbraw/zinc/38/17/03/471381703.db2.gz NTRHKDPFYNLZQW-UHFFFAOYSA-N -1 3 346.342 2.741 50 0 EFAAHM CC(C)NC(=O)c1nnsc1[N-]C(=O)Nc1ccc(Cl)cc1 ZINC000001417001 471389628 /nfs/dbraw/zinc/38/96/28/471389628.db2.gz PLQJWTFMVYMTNA-UHFFFAOYSA-N -1 3 339.808 2.974 50 0 EFAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000001472307 471391637 /nfs/dbraw/zinc/39/16/37/471391637.db2.gz MEZXXIMWYSOFSS-UHFFFAOYSA-N -1 3 330.409 2.935 50 0 EFAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F ZINC000002071326 471400880 /nfs/dbraw/zinc/40/08/80/471400880.db2.gz 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O=C([O-])[C@H](c1ccccc1F)N1CCC(O)(c2ccccc2)CC1 ZINC000095370954 218303883 /nfs/dbraw/zinc/30/38/83/218303883.db2.gz URDZFZQIQIVOQF-KRWDZBQOSA-N -1 3 329.371 2.935 50 0 EFAAHM CNC(=O)c1ccc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)o1 ZINC000095380932 218313645 /nfs/dbraw/zinc/31/36/45/218313645.db2.gz ZMKZQEPEAZCTKM-HNNXBMFYSA-N -1 3 342.395 2.717 50 0 EFAAHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(F)cc(F)c1)c1ccsc1 ZINC000096097452 218590781 /nfs/dbraw/zinc/59/07/81/218590781.db2.gz VMDDTBIVSDAPLO-CQSZACIVSA-N -1 3 347.408 2.833 50 0 EFAAHM O=C(c1ccccc1Br)N1NC=C[C@]1([O-])C(F)(F)F ZINC000006829293 210724358 /nfs/dbraw/zinc/72/43/58/210724358.db2.gz WPTFCTSUFWKECH-JTQLQIEISA-N -1 3 337.095 2.532 50 0 EFAAHM Cc1nn(C)c2nc([N-]c3cc(C(=O)N4CCCC4)ccn3)sc12 ZINC000096132258 218618472 /nfs/dbraw/zinc/61/84/72/218618472.db2.gz NBAVGNOOAFTHLR-UHFFFAOYSA-N -1 3 342.428 2.713 50 0 EFAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 ZINC000005012093 210359747 /nfs/dbraw/zinc/35/97/47/210359747.db2.gz 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Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)c1[O-] ZINC000000352142 281193248 /nfs/dbraw/zinc/19/32/48/281193248.db2.gz BKXSQRZARAOITK-IAQYHMDHSA-N -1 3 342.317 2.954 50 0 EFAAHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC2)c(Cl)cc1F ZINC000548370024 318099978 /nfs/dbraw/zinc/09/99/78/318099978.db2.gz HXUJFEBQQBKZSD-LLVKDONJSA-N -1 3 334.844 2.550 50 0 EFAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000041095594 472044540 /nfs/dbraw/zinc/04/45/40/472044540.db2.gz CYKVANDQEZNXDI-UHFFFAOYSA-N -1 3 347.223 2.876 50 0 EFAAHM Cc1ccsc1[C@@H](O)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000070635746 472500610 /nfs/dbraw/zinc/50/06/10/472500610.db2.gz WGYZSFUPQOQVPA-ZDUSSCGKSA-N -1 3 345.873 2.863 50 0 EFAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1O ZINC000095475544 473211197 /nfs/dbraw/zinc/21/11/97/473211197.db2.gz ILEXVGUKHBMMAO-CQSZACIVSA-N -1 3 349.412 2.896 50 0 EFAAHM Cc1cc(=O)[n-]c(NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)n1 ZINC000095522105 473218502 /nfs/dbraw/zinc/21/85/02/473218502.db2.gz 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EFAAHM CCCCNC(=O)Nc1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000002050175 471400997 /nfs/dbraw/zinc/40/09/97/471400997.db2.gz CFPOKRPHFYVLTK-AWEZNQCLSA-N -1 3 348.321 2.531 50 0 EFAAHM CCCc1nc2oc3c(nc[n-]c3=NN)c2c2c1COC(C)(C)C2 ZINC000002242275 471404542 /nfs/dbraw/zinc/40/45/42/471404542.db2.gz QJBQIPPVMLKKBB-UHFFFAOYSA-N -1 3 327.388 2.860 50 0 EFAAHM CCCc1nc2oc3c([n-]cnc3=NN)c2c2c1COC(C)(C)C2 ZINC000002242275 471404546 /nfs/dbraw/zinc/40/45/46/471404546.db2.gz QJBQIPPVMLKKBB-UHFFFAOYSA-N -1 3 327.388 2.860 50 0 EFAAHM CCOC(=O)N[C@@]([N-]c1ccccc1)(C(=O)OCC)C(F)(F)F ZINC000002274905 471406013 /nfs/dbraw/zinc/40/60/13/471406013.db2.gz SKNOMWTZPMUKNL-ZDUSSCGKSA-N -1 3 334.294 2.666 50 0 EFAAHM CCn1ncc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000002766946 471419943 /nfs/dbraw/zinc/41/99/43/471419943.db2.gz AKHABYUNOIYPSG-UHFFFAOYSA-N -1 3 348.255 2.997 50 0 EFAAHM CCOC(=O)[C@]([O-])(CC(=O)Nc1cccc(Cl)c1)C(F)(F)F ZINC000002769657 471420316 /nfs/dbraw/zinc/42/03/16/471420316.db2.gz 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327.203 2.786 50 0 EFAAHM COc1cc(CN2CCCCC2)cc(I)c1[O-] ZINC000016663114 471947425 /nfs/dbraw/zinc/94/74/25/471947425.db2.gz HQHARWYVAIKCQV-UHFFFAOYSA-N -1 3 347.196 2.991 50 0 EFAAHM S=c1[n-]nc(CN2CCSCC2)n1-c1cccc(Cl)c1 ZINC000016671580 471947535 /nfs/dbraw/zinc/94/75/35/471947535.db2.gz IBOJGNCBKMCVEB-UHFFFAOYSA-N -1 3 326.878 2.758 50 0 EFAAHM O=S(=O)([N-]CCc1ccc(N2CCCC2)cc1)c1cccs1 ZINC000016847272 471951228 /nfs/dbraw/zinc/95/12/28/471951228.db2.gz YPWXRSGDFHFPBO-UHFFFAOYSA-N -1 3 336.482 2.869 50 0 EFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000017026004 471952879 /nfs/dbraw/zinc/95/28/79/471952879.db2.gz LMXGZHKLUWMCNE-UHFFFAOYSA-N -1 3 330.409 2.989 50 0 EFAAHM CC(=O)N(C1=C([O-])N(c2ccc(C)cc2)C(=O)C1)c1ccc(C)cc1 ZINC000018148904 471970176 /nfs/dbraw/zinc/97/01/76/471970176.db2.gz XROPYLIYALJKLM-SFHVURJKSA-N -1 3 336.391 2.988 50 0 EFAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nc[nH]n3)s2)cc1OC ZINC000026260660 472128991 /nfs/dbraw/zinc/12/89/91/472128991.db2.gz 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/nfs/dbraw/zinc/51/61/21/472516121.db2.gz YRJLLCMMNWQTCM-CQSZACIVSA-N -1 3 335.444 2.720 50 0 EFAAHM COc1cc(C(=O)N2CCC(OCc3cccnc3)CC2)ccc1[O-] ZINC000077470171 472532712 /nfs/dbraw/zinc/53/27/12/472532712.db2.gz QXOXDBPNFQWCJO-UHFFFAOYSA-N -1 3 342.395 2.617 50 0 EFAAHM COc1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1OC ZINC000071279183 472546663 /nfs/dbraw/zinc/54/66/63/472546663.db2.gz JMWHKQKRUAWMQI-LLVKDONJSA-N -1 3 331.372 2.898 50 0 EFAAHM CSc1ccc(-c2nccn2CCc2nc(C)cc(=O)[n-]2)cc1 ZINC000071730258 472556322 /nfs/dbraw/zinc/55/63/22/472556322.db2.gz HMAOERJWJMUQAB-UHFFFAOYSA-N -1 3 326.425 2.906 50 0 EFAAHM CN(CCOc1ccccc1)C(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000071753459 472560645 /nfs/dbraw/zinc/56/06/45/472560645.db2.gz IHTNPBPSDYCWHT-UHFFFAOYSA-N -1 3 340.354 2.818 50 0 EFAAHM O=C([O-])c1ccc([C@@H]2CCN(CC(=O)N3CCCCCC3)C2)cc1 ZINC000072169314 472633840 /nfs/dbraw/zinc/63/38/40/472633840.db2.gz CICNGWNNLSFGSM-QGZVFWFLSA-N -1 3 330.428 2.577 50 0 EFAAHM CCOC(=O)c1[n-]c(=O)[nH]c1CN(Cc1ccsc1)[C@@H](C)CC ZINC000063833722 472818644 /nfs/dbraw/zinc/81/86/44/472818644.db2.gz CEIQYWDCFKFGKB-NSHDSACASA-N -1 3 337.445 2.742 50 0 EFAAHM Cc1cnc(C)nc1N1CCN(Cc2ccc([O-])cc2Cl)CC1 ZINC000065387544 472931605 /nfs/dbraw/zinc/93/16/05/472931605.db2.gz OJJKWGRGSKRNAL-UHFFFAOYSA-N -1 3 332.835 2.775 50 0 EFAAHM O=c1cc(-c2ccccc2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000096463833 473434404 /nfs/dbraw/zinc/43/44/04/473434404.db2.gz FCEYOFZXPJIJMA-UHFFFAOYSA-N -1 3 346.434 2.759 50 0 EFAAHM COc1cc(S(=O)(=O)[N-]C2CCCCC2)c(OC)cc1Cl ZINC000170615087 473566825 /nfs/dbraw/zinc/56/68/25/473566825.db2.gz ACNYBJACMIQAQM-UHFFFAOYSA-N -1 3 333.837 2.968 50 0 EFAAHM O=C([O-])CCCCN1CCN(c2cccc(Br)c2)CC1 ZINC000263565412 473777673 /nfs/dbraw/zinc/77/76/73/473777673.db2.gz FMOILXYOFHVTMB-UHFFFAOYSA-N -1 3 341.249 2.826 50 0 EFAAHM COc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)ccc1[O-] ZINC000223914574 474193855 /nfs/dbraw/zinc/19/38/55/474193855.db2.gz GPWUKUMYGWOVDF-NSHDSACASA-N -1 3 330.388 2.598 50 0 EFAAHM CCCCc1nnc([N-]C(=O)c2cc(N3CCCCC3)ncn2)s1 ZINC000225538624 474221979 /nfs/dbraw/zinc/22/19/79/474221979.db2.gz ZDFSLJLKXNSMSQ-UHFFFAOYSA-N -1 3 346.460 2.913 50 0 EFAAHM O=C([O-])COc1ccc(-c2ccc(F)cc2)cc1CN1CC[C@@H](O)C1 ZINC000244724663 474564782 /nfs/dbraw/zinc/56/47/82/474564782.db2.gz MYFZEOAVJACEDX-QGZVFWFLSA-N -1 3 345.370 2.523 50 0 EFAAHM O=C(Nc1ccccc1[O-])c1ccc(OCC2CCOCC2)nc1 ZINC000253399641 474737420 /nfs/dbraw/zinc/73/74/20/474737420.db2.gz JSXBLHKVAWNVOO-UHFFFAOYSA-N -1 3 328.368 2.845 50 0 EFAAHM COC(=O)C[C@@H](c1cccc(O)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253407448 474739539 /nfs/dbraw/zinc/73/95/39/474739539.db2.gz JWOXRXJKFLGCHR-AWEZNQCLSA-N -1 3 340.331 2.899 50 0 biogenic EFAAHM O=C(NCCC1=CCCCC1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000426584841 477722362 /nfs/dbraw/zinc/72/23/62/477722362.db2.gz RJRXZPSYMNPDGI-OAHLLOKOSA-N -1 3 330.432 2.962 50 0 EFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1nc2c(s1)CCCC2 ZINC000534585462 478160852 /nfs/dbraw/zinc/16/08/52/478160852.db2.gz VAGGDCNNVIBAKJ-VIFPVBQESA-N -1 3 341.458 2.666 50 0 EFAAHM CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1cc(=O)[n-]cn1 ZINC000534630540 478163423 /nfs/dbraw/zinc/16/34/23/478163423.db2.gz SIWIPFWTVNGLBS-HNNXBMFYSA-N -1 3 329.404 2.650 50 0 EFAAHM CCCC[C@H]1C=CCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000534636365 478163523 /nfs/dbraw/zinc/16/35/23/478163523.db2.gz KHPZMAMJRYUAQK-HNNXBMFYSA-N -1 3 326.404 2.507 50 0 EFAAHM CCCC[C@H]1C=CCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000534636365 478163529 /nfs/dbraw/zinc/16/35/29/478163529.db2.gz KHPZMAMJRYUAQK-HNNXBMFYSA-N -1 3 326.404 2.507 50 0 EFAAHM C[C@@H]1CCc2c(sc3[n-]c(Cn4ccccc4=O)nc(=O)c23)C1 ZINC000585137185 479296160 /nfs/dbraw/zinc/29/61/60/479296160.db2.gz LMYIPMVAALDMGZ-SNVBAGLBSA-N -1 3 327.409 2.732 50 0 EFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000007059508 526552309 /nfs/dbraw/zinc/55/23/09/526552309.db2.gz JKRGBWFTWVFKEI-UHFFFAOYSA-N -1 3 333.413 2.615 50 0 EFAAHM CC[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000670461985 547494277 /nfs/dbraw/zinc/49/42/77/547494277.db2.gz FEKDCCGLVSJGNZ-LLVKDONJSA-N -1 3 347.362 2.659 50 0 EFAAHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc2ccccc2c(=O)s1 ZINC000828147326 1296005705 /nfs/dbraw/zinc/00/57/05/1296005705.db2.gz POIGHTRSWNBOPG-UHFFFAOYSA-N -1 3 338.348 2.892 50 0 EFAAHM O=C(Nc1ccc(Cl)cc1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000000192103 1335913773 /nfs/dbraw/zinc/91/37/73/1335913773.db2.gz HFDMCBOXDNAOLC-UHFFFAOYSA-N -1 3 330.731 2.926 50 0 EFAAHM COc1cc(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc(OC)c1[O-] ZINC001704301329 1417901552 /nfs/dbraw/zinc/90/15/52/1417901552.db2.gz VFZGAXJFNYAYLK-VQIMIIECSA-N -1 3 349.427 2.831 50 0 EFAAHM COc1ccc(-c2onc(N[C@H]3CCCN(C)C3)c2C(=O)[O-])cc1 ZINC001704306584 1417902964 /nfs/dbraw/zinc/90/29/64/1417902964.db2.gz PFAUIHHKYACFPQ-LBPRGKRZSA-N -1 3 331.372 2.555 50 0 EFAAHM CC[C@@H](CO)N(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000055132892 1424181501 /nfs/dbraw/zinc/18/15/01/1424181501.db2.gz YFXDWOZMPRNUPN-HNNXBMFYSA-N -1 3 343.456 2.701 50 0 EFAAHM CC[C@@H](CO)N(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000055132892 1424181507 /nfs/dbraw/zinc/18/15/07/1424181507.db2.gz YFXDWOZMPRNUPN-HNNXBMFYSA-N -1 3 343.456 2.701 50 0 EFAAHM