smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2sc3ccccc3c2Cl)N1 ZINC000004178634 204126069 /nfs/dbraw/zinc/12/60/69/204126069.db2.gz BEPQYAPLTZVZQL-ZDUSSCGKSA-N -1 3 362.760 4.027 50 0 FIAAHM Cc1sc2[n-]c(CN3CCC(C)CC3)nc(=O)c2c1-c1ccccc1 ZINC000003336983 204092788 /nfs/dbraw/zinc/09/27/88/204092788.db2.gz VTRNVWPISCXKIX-UHFFFAOYSA-N -1 3 353.491 4.192 50 0 FIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000003449996 204102122 /nfs/dbraw/zinc/10/21/22/204102122.db2.gz QUBCEYGCMHXIQW-UHFFFAOYSA-N -1 3 367.470 4.477 50 0 FIAAHM COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000004842572 204169549 /nfs/dbraw/zinc/16/95/49/204169549.db2.gz RTDUEMLECITMBG-UHFFFAOYSA-N -1 3 356.603 4.069 50 0 FIAAHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1 ZINC000004553237 204146025 /nfs/dbraw/zinc/14/60/25/204146025.db2.gz ZFIDZLZFXVQDLI-KRWDZBQOSA-N -1 3 356.388 4.418 50 0 FIAAHM CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(N(C)C)cc1 ZINC000005643077 204219938 /nfs/dbraw/zinc/21/99/38/204219938.db2.gz VHBHELFMIBWADH-SJKOYZFVSA-N -1 3 374.510 4.028 50 0 FIAAHM Cc1ccc2c(CSc3n[n-]c(-c4cccs4)n3)cc(=O)oc2c1 ZINC000005017324 204185346 /nfs/dbraw/zinc/18/53/46/204185346.db2.gz QEXAGDNWAWOMSE-UHFFFAOYSA-N -1 3 355.444 4.240 50 0 FIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2C)c(C)c1 ZINC000005652604 204219117 /nfs/dbraw/zinc/21/91/17/204219117.db2.gz AIGPBWHVQLANNL-YOEHRIQHSA-N -1 3 372.490 4.007 50 0 FIAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2C)c(C)c1 ZINC000005652608 204219447 /nfs/dbraw/zinc/21/94/47/204219447.db2.gz AIGPBWHVQLANNL-RHSMWYFYSA-N -1 3 372.490 4.007 50 0 FIAAHM Cc1ccc(OCc2nc(SCC(=O)c3ccc(C)cc3C)n[n-]2)cc1 ZINC000006064818 204236561 /nfs/dbraw/zinc/23/65/61/204236561.db2.gz AETRFKXEJLBEEV-UHFFFAOYSA-N -1 3 367.474 4.284 50 0 FIAAHM CCCNc1c2ccccc2oc(=O)c1[N-]C(=O)c1c(F)cccc1F ZINC000006826632 204275407 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O=C(Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1)[C@H]1CCCO1 ZINC000055243280 205211751 /nfs/dbraw/zinc/21/17/51/205211751.db2.gz ILRCGCIGFJEVCH-ZAHGZRRWSA-N -1 3 360.413 4.228 50 0 FIAAHM Cc1c([O-])ccc2c(CSc3ncnc4ccsc43)cc(=O)oc12 ZINC000058370112 205272835 /nfs/dbraw/zinc/27/28/35/205272835.db2.gz ZQSFWYZAKNIBMK-UHFFFAOYSA-N -1 3 356.428 4.104 50 0 FIAAHM O=S(=O)([N-]Cc1ccccc1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004527 205314032 /nfs/dbraw/zinc/31/40/32/205314032.db2.gz WGLYKQNHQUGNDW-UHFFFAOYSA-N -1 3 374.487 4.149 50 0 FIAAHM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]C3CCCC3)c2)n1 ZINC000065116776 205317716 /nfs/dbraw/zinc/31/77/16/205317716.db2.gz VECPYJQJBZIECP-UHFFFAOYSA-N -1 3 370.565 4.390 50 0 FIAAHM CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)c([O-])c(C(C)C)c1 ZINC000082114523 205644698 /nfs/dbraw/zinc/64/46/98/205644698.db2.gz VXLLGUMJEWEWAB-MRXNPFEDSA-N -1 3 369.509 4.392 50 0 FIAAHM O=C([O-])c1ccc([C@@H]2CCCN(Cc3cncn3C3CCCCC3)C2)cc1 ZINC000095379966 205744556 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CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1cc(C)on1 ZINC000013327579 570776764 /nfs/dbraw/zinc/77/67/64/570776764.db2.gz HRGYCDLBDGYZGE-UHFFFAOYSA-N -1 3 356.403 4.141 50 0 FIAAHM O=C(Nc1cccc(C2SCCS2)c1)c1c[n-]c2ccccc2c1=O ZINC000032712450 570777200 /nfs/dbraw/zinc/77/72/00/570777200.db2.gz ZXKYPQRGTRCZAT-UHFFFAOYSA-N -1 3 368.483 4.259 50 0 FIAAHM O=C(Nc1cccc(C2SCCS2)c1)c1cnc2ccccc2c1[O-] ZINC000032712450 570777205 /nfs/dbraw/zinc/77/72/05/570777205.db2.gz ZXKYPQRGTRCZAT-UHFFFAOYSA-N -1 3 368.483 4.259 50 0 FIAAHM CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000013682840 570784141 /nfs/dbraw/zinc/78/41/41/570784141.db2.gz HXARLSVIKYHEHU-UHFFFAOYSA-N -1 3 361.470 4.284 50 0 FIAAHM Cc1cc(OCn2ccc(C(=O)Nc3ccccc3[O-])n2)cc(C)c1Cl ZINC000017076161 570867726 /nfs/dbraw/zinc/86/77/26/570867726.db2.gz HNEHZDMZEMVYEJ-UHFFFAOYSA-N -1 3 371.824 4.148 50 0 FIAAHM CCN(CC)c1nc(Cl)c(-c2ccccc2[O-])n(-c2ccccc2)c1=O ZINC000001406030 571062735 /nfs/dbraw/zinc/06/27/35/571062735.db2.gz 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571196753 /nfs/dbraw/zinc/19/67/53/571196753.db2.gz KAFDNBSFIFWWMG-UHFFFAOYSA-N -1 3 374.872 4.172 50 0 FIAAHM C[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000014021845 571271467 /nfs/dbraw/zinc/27/14/67/571271467.db2.gz ORTBSVIBWQWRPR-ZDUSSCGKSA-N -1 3 365.458 4.438 50 0 FIAAHM Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)[n-]cn4)cc3)sc2c1 ZINC000252538996 571283046 /nfs/dbraw/zinc/28/30/46/571283046.db2.gz NQJJMYIYGMRQMQ-UHFFFAOYSA-N -1 3 362.414 4.020 50 0 FIAAHM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c1C ZINC000020580482 571331236 /nfs/dbraw/zinc/33/12/36/571331236.db2.gz FSHPIGKZOHWKCB-UHFFFAOYSA-N -1 3 360.410 4.207 50 0 FIAAHM Cc1ncc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)o1 ZINC000021032676 571332184 /nfs/dbraw/zinc/33/21/84/571332184.db2.gz UVMBKHHKUFJJHS-UHFFFAOYSA-N -1 3 356.447 4.376 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccsc2)S1 ZINC000096116799 571334458 /nfs/dbraw/zinc/33/44/58/571334458.db2.gz HZCRSKNVMRHBDP-OCCSQVGLSA-N -1 3 363.508 4.254 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccs2)S1 ZINC000096118451 571334484 /nfs/dbraw/zinc/33/44/84/571334484.db2.gz DARJCSKRRLMTMM-RISCZKNCSA-N -1 3 363.508 4.254 50 0 FIAAHM CCOc1ccc(-c2nn(C)c(C(F)(F)F)c2-c2cscn2)c([O-])c1 ZINC000104130083 1085242570 /nfs/dbraw/zinc/24/25/70/1085242570.db2.gz CSZZYVXEHBEPGF-UHFFFAOYSA-N -1 3 369.368 4.334 50 0 FIAAHM Cc1ccc(CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000002717882 204051780 /nfs/dbraw/zinc/05/17/80/204051780.db2.gz IMMOZSZHFSVWTP-UHFFFAOYSA-N -1 3 362.458 4.430 50 0 FIAAHM CCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CCCc2ccccc2)N1 ZINC000004265774 204130256 /nfs/dbraw/zinc/13/02/56/204130256.db2.gz UVNAXNFNYNWLST-KRWDZBQOSA-N -1 3 356.388 4.039 50 0 FIAAHM O=c1nc(CN2CCc3ccccc32)[n-]c2sc(-c3ccccc3)cc21 ZINC000007285458 204293580 /nfs/dbraw/zinc/29/35/80/204293580.db2.gz PNUPLQZYQHRGAO-UHFFFAOYSA-N -1 3 359.454 4.214 50 0 FIAAHM COc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)[n-]2)c1 ZINC000007794914 204308332 /nfs/dbraw/zinc/30/83/32/204308332.db2.gz CHHCUUYTYXGXNN-UHFFFAOYSA-N -1 3 374.853 4.011 50 0 FIAAHM COc1cccc(C(=O)Nc2nc(SCc3ccc(Cl)cc3)n[n-]2)c1 ZINC000007794914 204308335 /nfs/dbraw/zinc/30/83/35/204308335.db2.gz CHHCUUYTYXGXNN-UHFFFAOYSA-N -1 3 374.853 4.011 50 0 FIAAHM COc1cccc(C(=O)Nc2n[n-]c(SCc3ccc(Cl)cc3)n2)c1 ZINC000007794914 204308338 /nfs/dbraw/zinc/30/83/38/204308338.db2.gz CHHCUUYTYXGXNN-UHFFFAOYSA-N -1 3 374.853 4.011 50 0 FIAAHM CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1[O-] ZINC000007886214 204310040 /nfs/dbraw/zinc/31/00/40/204310040.db2.gz PYCLPKLQYBGUPJ-GOSISDBHSA-N -1 3 358.825 4.173 50 0 FIAAHM COc1ccc(CN(Cn2nc(-c3cccs3)[n-]c2=S)C2CC2)cc1 ZINC000008148376 204318609 /nfs/dbraw/zinc/31/86/09/204318609.db2.gz FOCXRHFTKXPNMU-UHFFFAOYSA-N -1 3 372.519 4.300 50 0 FIAAHM CCN(CC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1c(F)cccc1F ZINC000009265531 204360787 /nfs/dbraw/zinc/36/07/87/204360787.db2.gz BYQYPKBLRBHGBG-UHFFFAOYSA-N -1 3 372.371 4.445 50 0 FIAAHM C[C@@H](Sc1ccccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000008747386 204343600 /nfs/dbraw/zinc/34/36/00/204343600.db2.gz IKDYBIWDOHFXPJ-SNVBAGLBSA-N -1 3 355.444 4.493 50 0 FIAAHM COc1cc([C@@H]2C[C@@H]2C(=O)c2nc3ccccc3[n-]2)ccc1OC(F)F ZINC000009913658 204386613 /nfs/dbraw/zinc/38/66/13/204386613.db2.gz DMMNFLOLHQIHIS-RYUDHWBXSA-N -1 3 358.344 4.159 50 0 FIAAHM O=C(Nc1ccc2c(c1)OCCCO2)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000010192078 204392247 /nfs/dbraw/zinc/39/22/47/204392247.db2.gz WTRUJRVQWKOSRH-UHFFFAOYSA-N -1 3 369.808 4.144 50 0 FIAAHM Cc1cc2oc(C(=O)[N-]c3onc4c3C[C@H](C)CC4)cc(=O)c2cc1Cl ZINC000027750430 204868935 /nfs/dbraw/zinc/86/89/35/204868935.db2.gz HGQJAVYVOWLHFK-SECBINFHSA-N -1 3 372.808 4.120 50 0 FIAAHM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Cl)c2ncccc12 ZINC000040152683 205059944 /nfs/dbraw/zinc/05/99/44/205059944.db2.gz KXYVMPXQHJTUNR-UHFFFAOYSA-N -1 3 372.755 4.106 50 0 FIAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccccc2)cc1Cl ZINC000041095156 205089332 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CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c([O-])c(C(C)C)c1 ZINC000171089078 206279559 /nfs/dbraw/zinc/27/95/59/206279559.db2.gz DSRYCPFXXYAOGY-OAHLLOKOSA-N -1 3 355.482 4.382 50 0 FIAAHM CCOC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1cc(C)no1 ZINC000012422401 206290489 /nfs/dbraw/zinc/29/04/89/206290489.db2.gz SRCMOIWNRSAOSB-UHFFFAOYSA-N -1 3 356.403 4.141 50 0 FIAAHM CCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2[O-])o1 ZINC000018044984 206324414 /nfs/dbraw/zinc/32/44/14/206324414.db2.gz WJNRDVAYSMVLKM-UHFFFAOYSA-N -1 3 357.362 4.191 50 0 biogenic FIAAHM CCc1nc2sc([C@H](c3ccccc3F)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853300 206394041 /nfs/dbraw/zinc/39/40/41/206394041.db2.gz XFDDOUBOHDYDAY-INIZCTEOSA-N -1 3 374.485 4.019 50 0 FIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000001034014 132379621 /nfs/dbraw/zinc/37/96/21/132379621.db2.gz SKCHDEAMDGYKDO-UHFFFAOYSA-N -1 3 364.898 4.440 50 0 FIAAHM O=c1oc2c(cc3c4c2CCCN4CCC3)cc1-c1nc2ccccc2[n-]1 ZINC000001217585 132381111 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FIAAHM O=C(CCc1ccccc1)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000001208689 570492813 /nfs/dbraw/zinc/49/28/13/570492813.db2.gz NWMXDEYVPLUUCW-GOSISDBHSA-N -1 3 368.399 4.039 50 0 FIAAHM CCOc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])[nH]n2)cc1 ZINC000072427489 570571139 /nfs/dbraw/zinc/57/11/39/570571139.db2.gz QICSJMLLDQZYLI-UHFFFAOYSA-N -1 3 357.797 4.087 50 0 FIAAHM CCOc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)cc1 ZINC000072427489 570571141 /nfs/dbraw/zinc/57/11/41/570571141.db2.gz QICSJMLLDQZYLI-UHFFFAOYSA-N -1 3 357.797 4.087 50 0 FIAAHM COc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c([O-])c1 ZINC000005138206 570589839 /nfs/dbraw/zinc/58/98/39/570589839.db2.gz RCUDZFCMVHIIKB-UHFFFAOYSA-N -1 3 361.195 4.346 50 0 FIAAHM O=C([N-]c1nc(-c2ccc(Br)cc2)ns1)c1cccs1 ZINC000011914193 570601012 /nfs/dbraw/zinc/60/10/12/570601012.db2.gz NXTIPQQIIOQLAP-UHFFFAOYSA-N -1 3 366.265 4.281 50 0 FIAAHM CCCc1nnc([N-]C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000028250230 570625071 /nfs/dbraw/zinc/62/50/71/570625071.db2.gz GRWNJHXTLMBZMG-UHFFFAOYSA-N -1 3 366.240 4.252 50 0 FIAAHM [O-]c1ccc(CN2CCC[C@](CO)(Cc3ccccc3F)C2)cc1Cl ZINC000012021068 570714060 /nfs/dbraw/zinc/71/40/60/570714060.db2.gz BDPDRQCSYARXLJ-FQEVSTJZSA-N -1 3 363.860 4.002 50 0 FIAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(-c4cccn4C)cs3)on2)cc1 ZINC000032577475 570736932 /nfs/dbraw/zinc/73/69/32/570736932.db2.gz FLZLPBKFFATTAJ-UHFFFAOYSA-N -1 3 364.430 4.364 50 0 FIAAHM COc1cc(CN2CCC[C@H](Nc3cccc(F)c3)C2)cc(Cl)c1[O-] ZINC000012589441 570751890 /nfs/dbraw/zinc/75/18/90/570751890.db2.gz FPGKEXRRMRUDIA-INIZCTEOSA-N -1 3 364.848 4.270 50 0 FIAAHM O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1[O-] ZINC000012798048 570763022 /nfs/dbraw/zinc/76/30/22/570763022.db2.gz RAZUZDVFPAZSSZ-UHFFFAOYSA-N -1 3 350.399 4.192 50 0 FIAAHM Cc1cc(C(=O)[N-]c2sc3c(c2C(=O)Nc2ccccc2)CCC3)no1 ZINC000013329140 570776681 /nfs/dbraw/zinc/77/66/81/570776681.db2.gz HBWKCOPAAQVAIV-UHFFFAOYSA-N -1 3 367.430 4.038 50 0 FIAAHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000013938903 570797864 /nfs/dbraw/zinc/79/78/64/570797864.db2.gz UBTPNPXAZJICTI-SNVBAGLBSA-N -1 3 354.335 4.005 50 0 FIAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000013942825 570798490 /nfs/dbraw/zinc/79/84/90/570798490.db2.gz ZNTYEIZBGYUCBH-MRXNPFEDSA-N -1 3 363.364 4.162 50 0 FIAAHM CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2[O-])cc1 ZINC000018090821 570807476 /nfs/dbraw/zinc/80/74/76/570807476.db2.gz SJGVNEZGLOHNLN-UHFFFAOYSA-N -1 3 368.389 4.150 50 0 FIAAHM [O-]c1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCC1 ZINC000018118914 570810980 /nfs/dbraw/zinc/81/09/80/570810980.db2.gz YXESZWPCZZYGIK-UHFFFAOYSA-N -1 3 373.254 4.219 50 0 FIAAHM O=C1C[C@H](c2ccco2)CC2=Nc3nonc3[N-][C@H](c3ccccc3F)C12 ZINC000102749055 570837368 /nfs/dbraw/zinc/83/73/68/570837368.db2.gz FNBVKHWGJSTEKG-BMLIUANNSA-N -1 3 366.352 4.431 50 0 FIAAHM CCCN(CCC)Cc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000017887635 570874357 /nfs/dbraw/zinc/87/43/57/570874357.db2.gz HTQUQHCFNDGTEN-UHFFFAOYSA-N -1 3 365.521 4.427 50 0 FIAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-]C2CCCCC2)cc1Cl ZINC000019942735 570907570 /nfs/dbraw/zinc/90/75/70/570907570.db2.gz ANQKLONVNJIFLW-UHFFFAOYSA-N -1 3 352.283 4.003 50 0 FIAAHM CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1n[n-]c(-c2cccs2)n1 ZINC000021615653 570931816 /nfs/dbraw/zinc/93/18/16/570931816.db2.gz WFFRUJFVEQAKEA-CYBMUJFWSA-N -1 3 372.519 4.063 50 0 FIAAHM COc1ccc(-c2cc3nccc(-c4cc(Cl)ccc4[O-])n3n2)cc1 ZINC000021729164 570934072 /nfs/dbraw/zinc/93/40/72/570934072.db2.gz FQFLTXHUHZYFJI-UHFFFAOYSA-N -1 3 351.793 4.431 50 0 FIAAHM O=c1nc([C@@H]2CSc3ccccc3O2)[n-]c2sc3c(c21)CCCCC3 ZINC000225663345 571053769 /nfs/dbraw/zinc/05/37/69/571053769.db2.gz KDEKBXGKUIBCRJ-ZDUSSCGKSA-N -1 3 370.499 4.479 50 0 FIAAHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000072307007 571064045 /nfs/dbraw/zinc/06/40/45/571064045.db2.gz WMXSEBRUPLNABL-UHFFFAOYSA-N -1 3 353.325 4.378 50 0 FIAAHM Cc1nn(C)cc1[C@@H]1SC(C)=Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000071287139 571064227 /nfs/dbraw/zinc/06/42/27/571064227.db2.gz CFSRXABFQNVATE-INIZCTEOSA-N -1 3 359.499 4.412 50 0 FIAAHM Cc1c([O-])ccc2c(CN(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc(=O)oc12 ZINC000012767718 571086490 /nfs/dbraw/zinc/08/64/90/571086490.db2.gz UOKOUJXRDREHBW-SJKOYZFVSA-N -1 3 353.418 4.155 50 0 FIAAHM Cc1ccc2nc(-c3ccc([N-]S(C)(=O)=O)cc3Cl)sc2c1 ZINC000033169059 571161591 /nfs/dbraw/zinc/16/15/91/571161591.db2.gz YKVKHCBRPMXFAL-UHFFFAOYSA-N -1 3 352.868 4.297 50 0 FIAAHM Cc1cc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)ccc1[O-] ZINC000071751968 571164870 /nfs/dbraw/zinc/16/48/70/571164870.db2.gz QETFJXYRXPKBMR-OAHLLOKOSA-N -1 3 359.416 4.464 50 0 FIAAHM CC(=O)c1cc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)ccc1[O-] ZINC000072171431 571177782 /nfs/dbraw/zinc/17/77/82/571177782.db2.gz PXJOVURLWRDWJM-UHFFFAOYSA-N -1 3 358.401 4.145 50 0 FIAAHM Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c([O-])c1 ZINC000072430365 571195574 /nfs/dbraw/zinc/19/55/74/571195574.db2.gz FFJLVPRSGHGNST-KRWDZBQOSA-N -1 3 353.397 4.083 50 0 FIAAHM CCCc1cc(-c2onc(C)c2-c2ccc(C(=O)OCC)o2)c([O-])cc1O ZINC000000636545 571203583 /nfs/dbraw/zinc/20/35/83/571203583.db2.gz VOSZQYWRKAEJOY-UHFFFAOYSA-N -1 3 371.389 4.450 50 0 biogenic FIAAHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000001230789 571203730 /nfs/dbraw/zinc/20/37/30/571203730.db2.gz FSGZXUKKEZFTJN-HZPDHXFCSA-N -1 3 361.228 4.163 50 0 biogenic FIAAHM CCCN1CCc2nc(SCc3c(C)cc(C)cc3C)[n-]c(=O)c2C1 ZINC000033287216 571230145 /nfs/dbraw/zinc/23/01/45/571230145.db2.gz ZYVVESYXEQBIAU-UHFFFAOYSA-N -1 3 357.523 4.168 50 0 FIAAHM Cc1nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn2c(=O)[n-]1 ZINC000166463617 571309365 /nfs/dbraw/zinc/30/93/65/571309365.db2.gz RSYBBLQMPBFPRA-UHFFFAOYSA-N -1 3 371.227 4.367 50 0 FIAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2C1=Cc2ccccc2O[C@@H]1C ZINC000079473297 571327464 /nfs/dbraw/zinc/32/74/64/571327464.db2.gz WAFJPKFCHIXXLJ-DIFFPNOSSA-N -1 3 371.462 4.410 50 0 FIAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1 ZINC000020580440 571331238 /nfs/dbraw/zinc/33/12/38/571331238.db2.gz XXBHPADVEQGKLW-UHFFFAOYSA-N -1 3 372.446 4.076 50 0 FIAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc2ccccc21 ZINC000004317630 571357950 /nfs/dbraw/zinc/35/79/50/571357950.db2.gz CQZKYJAMTWUNGE-UHFFFAOYSA-N -1 3 354.431 4.113 50 0 FIAAHM CC(C)(C)c1csc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000002903467 204066130 /nfs/dbraw/zinc/06/61/30/204066130.db2.gz UVMVZXKOSAMHAM-UHFFFAOYSA-N -1 3 350.312 4.388 50 0 FIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000002734625 204053472 /nfs/dbraw/zinc/05/34/72/204053472.db2.gz PVEOWTQKISAPJC-UHFFFAOYSA-N -1 3 372.471 4.110 50 0 FIAAHM Cc1ccc(-c2csc3[n-]c(CN4C[C@@H](C)C[C@H](C)C4)nc(=O)c23)cc1 ZINC000003350336 204093825 /nfs/dbraw/zinc/09/38/25/204093825.db2.gz KBDRHUZZQHFZJX-GJZGRUSLSA-N -1 3 367.518 4.438 50 0 FIAAHM CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000004599234 204149435 /nfs/dbraw/zinc/14/94/35/204149435.db2.gz HNLLBXWQUCHTRW-CKUKBARFSA-N -1 3 374.790 4.229 50 0 FIAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)c1C ZINC000004811246 204165199 /nfs/dbraw/zinc/16/51/99/204165199.db2.gz HEMSDFULYAVHAF-UHFFFAOYSA-N -1 3 353.871 4.465 50 0 FIAAHM O=C(c1ccc(Cl)cc1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000005073457 204190149 /nfs/dbraw/zinc/19/01/49/204190149.db2.gz UIVALUYRPISVOJ-INIZCTEOSA-N -1 3 374.790 4.373 50 0 FIAAHM Cc1c(CNCc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005138239 204192456 /nfs/dbraw/zinc/19/24/56/204192456.db2.gz NNAITFVRQBLZQG-UHFFFAOYSA-N -1 3 366.436 4.280 50 0 FIAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1Br ZINC000005121395 204192956 /nfs/dbraw/zinc/19/29/56/204192956.db2.gz NLPVUFUEFZSPTA-UHFFFAOYSA-N -1 3 360.660 4.212 50 0 FIAAHM CCOc1ccc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000005235513 204198733 /nfs/dbraw/zinc/19/87/33/204198733.db2.gz YDVWFSPNVZZYGW-UHFFFAOYSA-N -1 3 366.417 4.318 50 0 FIAAHM CCc1ccc(C(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)cc1 ZINC000006006595 204233792 /nfs/dbraw/zinc/23/37/92/204233792.db2.gz IDTIWPQWKBUBRW-UHFFFAOYSA-N -1 3 367.474 4.230 50 0 FIAAHM Cc1nn(CC(C)C)c2sc(C(=O)[N-]c3nnc(C4CC4)s3)cc12 ZINC000007735309 204304118 /nfs/dbraw/zinc/30/41/18/204304118.db2.gz DNQLUNPCUZJORY-UHFFFAOYSA-N -1 3 361.496 4.043 50 0 FIAAHM CCOc1ccc(C(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1 ZINC000008231148 204322922 /nfs/dbraw/zinc/32/29/22/204322922.db2.gz ZYBLXIJSXGEWAR-LLVKDONJSA-N -1 3 359.476 4.295 50 0 FIAAHM Cc1c(CNCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932421 204348719 /nfs/dbraw/zinc/34/87/19/204348719.db2.gz HTHRCLRKCURCFR-UHFFFAOYSA-N -1 3 366.436 4.280 50 0 FIAAHM Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccccc3[O-])cn2c1 ZINC000047064284 205141304 /nfs/dbraw/zinc/14/13/04/205141304.db2.gz ZJOCDOHPZQTKGU-UHFFFAOYSA-N -1 3 373.412 4.180 50 0 FIAAHM Cc1ccc2[nH]c(C(=O)[O-])c(CN(C)CCOc3ccc(C)cc3C)c2c1 ZINC000055165786 205208958 /nfs/dbraw/zinc/20/89/58/205208958.db2.gz WDCCXCOKVSGFIN-UHFFFAOYSA-N -1 3 366.461 4.302 50 0 FIAAHM CCCc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2Cl)cc1 ZINC000055676815 205222052 /nfs/dbraw/zinc/22/20/52/205222052.db2.gz XJIKHLQPMWLZJW-UHFFFAOYSA-N -1 3 366.870 4.052 50 0 FIAAHM COc1ccc(NC(=O)c2sc([N-]c3ncccc3C)nc2C)cc1 ZINC000065306349 205335277 /nfs/dbraw/zinc/33/52/77/205335277.db2.gz SFYJJJHSHZWGFF-UHFFFAOYSA-N -1 3 354.435 4.159 50 0 FIAAHM Cc1ccc([O-])c(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)c1 ZINC000067434479 205371955 /nfs/dbraw/zinc/37/19/55/205371955.db2.gz WRTAGPHPAHFZGW-UHFFFAOYSA-N -1 3 370.355 4.096 50 0 FIAAHM CCOC(=O)c1c(NC(=O)c2ccc([O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000000936526 206141384 /nfs/dbraw/zinc/14/13/84/206141384.db2.gz HOGQJTCLJPYAQI-LLVKDONJSA-N -1 3 359.447 4.008 50 0 FIAAHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1 ZINC000002628379 206154988 /nfs/dbraw/zinc/15/49/88/206154988.db2.gz KKKYWMFZLVTTLP-UHFFFAOYSA-N -1 3 351.840 4.329 50 0 aggregator FIAAHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1cc(F)c(F)cc1Cl ZINC000006334478 206200321 /nfs/dbraw/zinc/20/03/21/206200321.db2.gz QLLKWLFURFNMHU-UHFFFAOYSA-N -1 3 365.792 4.313 50 0 FIAAHM 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CC(C)CC(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000001179531 570489144 /nfs/dbraw/zinc/48/91/44/570489144.db2.gz GLJZFZYXQOJMEV-UHFFFAOYSA-N -1 3 369.446 4.060 50 0 FIAAHM CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2[O-])cc1 ZINC000018114291 570807734 /nfs/dbraw/zinc/80/77/34/570807734.db2.gz UZXZPENETHYBIN-UHFFFAOYSA-N -1 3 368.389 4.155 50 0 FIAAHM Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc2)cs1 ZINC000028483071 571032535 /nfs/dbraw/zinc/03/25/35/571032535.db2.gz BJVNSADOZFBCFB-UHFFFAOYSA-N -1 3 350.403 4.354 50 0 FIAAHM Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc2)cs1 ZINC000028483071 571032537 /nfs/dbraw/zinc/03/25/37/571032537.db2.gz BJVNSADOZFBCFB-UHFFFAOYSA-N -1 3 350.403 4.354 50 0 FIAAHM CCCc1cc(-c2n[nH]cc2-c2ccc(C(=O)OCC)o2)c([O-])cc1OC ZINC000008568344 571050667 /nfs/dbraw/zinc/05/06/67/571050667.db2.gz RLLTWFLFAQIDIV-UHFFFAOYSA-N -1 3 370.405 4.180 50 0 biogenic FIAAHM CCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2[O-])cc1 ZINC000009109625 571096291 /nfs/dbraw/zinc/09/62/91/571096291.db2.gz BNBYYPNYMGFEDI-UHFFFAOYSA-N -1 3 368.389 4.068 50 0 FIAAHM Cc1c(C(=O)Nc2ccccc2[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000012909817 571143604 /nfs/dbraw/zinc/14/36/04/571143604.db2.gz XSYLLWAFSHRKBL-UHFFFAOYSA-N -1 3 361.323 4.157 50 0 FIAAHM CCSc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2s1 ZINC000033298842 571231085 /nfs/dbraw/zinc/23/10/85/571231085.db2.gz FGLCIRYNYBUNST-UHFFFAOYSA-N -1 3 364.517 4.350 50 0 FIAAHM C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000014021842 571271463 /nfs/dbraw/zinc/27/14/63/571271463.db2.gz ORTBSVIBWQWRPR-CYBMUJFWSA-N -1 3 365.458 4.438 50 0 FIAAHM Cc1cc(C)c2c(N)c(-c3cc(=O)oc4c(C)c([O-])ccc34)sc2n1 ZINC000011865321 571322082 /nfs/dbraw/zinc/32/20/82/571322082.db2.gz AJZMASXPPOAGLK-UHFFFAOYSA-N -1 3 352.415 4.283 50 0 FIAAHM COc1ccc(CNCc2c(C)n(-c3ccccc3)c(C)c2C(=O)[O-])cc1 ZINC000021025668 571332216 /nfs/dbraw/zinc/33/22/16/571332216.db2.gz HUOIQASUCWVGLE-UHFFFAOYSA-N -1 3 364.445 4.091 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccs2)S1 ZINC000096118452 571334488 /nfs/dbraw/zinc/33/44/88/571334488.db2.gz DARJCSKRRLMTMM-FZMZJTMJSA-N -1 3 363.508 4.254 50 0 FIAAHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2)cc1Cl ZINC000001109667 219370046 /nfs/dbraw/zinc/37/00/46/219370046.db2.gz KGDAWECMBKHFBA-JTQLQIEISA-N -1 3 360.262 4.042 50 0 FIAAHM O=C([C@H]1CC(c2ccccc2[O-])=NO1)N(Cc1ccccc1)c1ccccc1 ZINC000001126388 219375989 /nfs/dbraw/zinc/37/59/89/219375989.db2.gz ZYIFLZQPJGAYSK-JOCHJYFZSA-N -1 3 372.424 4.119 50 0 FIAAHM CSc1nnc2c(n1)O[C@@H](c1cc([O-])ccc1Cl)Nc1ccccc1-2 ZINC000002977822 204072338 /nfs/dbraw/zinc/07/23/38/204072338.db2.gz FWNFLPGYPFGMSR-HNNXBMFYSA-N -1 3 372.837 4.123 50 0 FIAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)c1cccs1 ZINC000003220917 204082473 /nfs/dbraw/zinc/08/24/73/204082473.db2.gz RMDQNTUBUHCIPY-UHFFFAOYSA-N -1 3 351.453 4.457 50 0 FIAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1 ZINC000004327171 204134247 /nfs/dbraw/zinc/13/42/47/204134247.db2.gz CUFUDVXHXJSFGT-QGZVFWFLSA-N -1 3 373.478 4.114 50 0 FIAAHM S=c1[n-]nc(COc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000005428567 204208350 /nfs/dbraw/zinc/20/83/50/204208350.db2.gz ZHSPTKKOHKPZDI-UHFFFAOYSA-N -1 3 352.246 4.442 50 0 FIAAHM [O-]C(=C[C@]1(C(F)(F)F)NN=C(c2ccccc2)S1)c1ccccc1 ZINC000005946726 204232376 /nfs/dbraw/zinc/23/23/76/204232376.db2.gz MMNPEYNZEWXNRC-INIZCTEOSA-N -1 3 350.365 4.216 50 0 FIAAHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000007050714 204287077 /nfs/dbraw/zinc/28/70/77/204287077.db2.gz SJTIPHQIVAHZFC-UHFFFAOYSA-N -1 3 363.479 4.111 50 0 FIAAHM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1Cl ZINC000010677360 204399700 /nfs/dbraw/zinc/39/97/00/204399700.db2.gz DVWRXITWNAKRKV-MRXNPFEDSA-N -1 3 356.274 4.423 50 0 FIAAHM C[C@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(F)c(F)c2)no1 ZINC000011914849 204421399 /nfs/dbraw/zinc/42/13/99/204421399.db2.gz HDCZYACLPZDWET-JTQLQIEISA-N -1 3 362.307 4.165 50 0 FIAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012042874 204427003 /nfs/dbraw/zinc/42/70/03/204427003.db2.gz CBOFJAFJXCJYJO-UHFFFAOYSA-N -1 3 366.653 4.456 50 0 FIAAHM Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000047303970 205144891 /nfs/dbraw/zinc/14/48/91/205144891.db2.gz YCPWXFBOQBAPGA-UHFFFAOYSA-N -1 3 368.462 4.164 50 0 FIAAHM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1cccc(Cl)c1)CC(=O)N2 ZINC000046057470 205131233 /nfs/dbraw/zinc/13/12/33/205131233.db2.gz CLGJYBRRRHYKEJ-MRXNPFEDSA-N -1 3 365.820 4.143 50 0 FIAAHM O=C(Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1)[C@@H]1CCCO1 ZINC000055243276 205211474 /nfs/dbraw/zinc/21/14/74/205211474.db2.gz ILRCGCIGFJEVCH-XETPZZHUSA-N -1 3 360.413 4.228 50 0 FIAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-]C3CCCCCC3)s2)n1 ZINC000064755837 205304836 /nfs/dbraw/zinc/30/48/36/205304836.db2.gz SWIKYKRHDJGGIW-UHFFFAOYSA-N -1 3 370.565 4.435 50 0 FIAAHM O=S(=O)([N-]C1CCCCC1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004264 205313597 /nfs/dbraw/zinc/31/35/97/205313597.db2.gz XMYNVGIMUBYDSS-UHFFFAOYSA-N -1 3 366.508 4.282 50 0 FIAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)s2)o1 ZINC000065003895 205313852 /nfs/dbraw/zinc/31/38/52/205313852.db2.gz DOPAPULJDGFCAQ-OAHLLOKOSA-N -1 3 374.487 4.067 50 0 FIAAHM COc1cc2c(cc1O)NC(=O)C[C@H]2/C(C)=C/c1cc(Cl)ccc1[O-] ZINC000065459408 205352718 /nfs/dbraw/zinc/35/27/18/205352718.db2.gz MYEVPHNSSBSHCX-KADSFNECSA-N -1 3 359.809 4.289 50 0 FIAAHM COc1cccc(NC(=O)c2sc([N-]c3ncccc3C)nc2C)c1 ZINC000065306348 205335842 /nfs/dbraw/zinc/33/58/42/205335842.db2.gz YQJMJQABKCWQFO-UHFFFAOYSA-N -1 3 354.435 4.159 50 0 FIAAHM O=C([O-])C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314731 205336641 /nfs/dbraw/zinc/33/66/41/205336641.db2.gz QJCBKYCKWSBYCM-UHFFFAOYSA-N -1 3 366.436 4.125 50 0 FIAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Cl)c3Cl)c2)n1 ZINC000047318179 206079061 /nfs/dbraw/zinc/07/90/61/206079061.db2.gz RGXKVTNDYAPGOO-UHFFFAOYSA-N -1 3 374.227 4.304 50 0 FIAAHM CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c([O-])cc1OC ZINC000003899445 206164729 /nfs/dbraw/zinc/16/47/29/206164729.db2.gz CIYJVFJBFXRWJD-UHFFFAOYSA-N -1 3 366.417 4.182 50 0 biogenic FIAAHM O=c1[n-]nc(-c2ccc(Cl)cc2)c2cn(-c3ccc(Cl)cc3)nc21 ZINC000005728923 206197638 /nfs/dbraw/zinc/19/76/38/206197638.db2.gz IJEWQQKFSWJKHJ-UHFFFAOYSA-N -1 3 357.200 4.083 50 0 FIAAHM CCc1nnc([N-]C(=O)c2sc(-c3ccc(CC)cc3)nc2C)s1 ZINC000008061270 206213797 /nfs/dbraw/zinc/21/37/97/206213797.db2.gz VAEBQFVFECRBND-UHFFFAOYSA-N -1 3 358.492 4.347 50 0 FIAAHM CC(C)c1cc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c([O-])c(C(C)C)c1 ZINC000171089073 206279517 /nfs/dbraw/zinc/27/95/17/206279517.db2.gz DSRYCPFXXYAOGY-HNNXBMFYSA-N -1 3 355.482 4.382 50 0 FIAAHM O=C([N-]c1cc(-c2cccs2)no1)c1ncc(-c2ccc(F)cc2)o1 ZINC000206587935 206337868 /nfs/dbraw/zinc/33/78/68/206337868.db2.gz QFMPCWGJHCJUOT-UHFFFAOYSA-N -1 3 355.350 4.450 50 0 FIAAHM O=C(Nc1ccccc1[O-])c1nn(-c2ccc(F)cc2)c2c1CCCCC2 ZINC000022319718 206375367 /nfs/dbraw/zinc/37/53/67/206375367.db2.gz NGVJGCMIVWRTOS-UHFFFAOYSA-N -1 3 365.408 4.238 50 0 FIAAHM CN(Cc1ccc(-c2nc(C3CCCC3)cc(=O)[n-]2)cc1)Cc1ccccn1 ZINC000020909308 523197033 /nfs/dbraw/zinc/19/70/33/523197033.db2.gz SZAAZDHTNPAADB-UHFFFAOYSA-N -1 3 374.488 4.122 50 0 FIAAHM COC(=O)c1c([N-]C(=O)c2cc(C)on2)sc(C)c1-c1ccccc1 ZINC000000648323 568041075 /nfs/dbraw/zinc/04/10/75/568041075.db2.gz POKALMJZCOLUHP-UHFFFAOYSA-N -1 3 356.403 4.059 50 0 FIAAHM COC(=O)c1c(-c2ccc(C)cc2C)csc1[N-]C(=O)C(F)(F)F ZINC000000685841 570450429 /nfs/dbraw/zinc/45/04/29/570450429.db2.gz ZWCQPOBDHYPODJ-UHFFFAOYSA-N -1 3 357.353 4.319 50 0 FIAAHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1 ZINC000001049828 570477326 /nfs/dbraw/zinc/47/73/26/570477326.db2.gz BYHQXDLJEJHIPC-UHFFFAOYSA-N -1 3 354.269 4.175 50 0 FIAAHM O=C([N-]c1nc(SCc2ccc(F)cc2)ns1)c1cccs1 ZINC000001080741 570479465 /nfs/dbraw/zinc/47/94/65/570479465.db2.gz QWYVJCOBWYHCQQ-UHFFFAOYSA-N -1 3 351.453 4.283 50 0 FIAAHM O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1[O-] ZINC000001183320 570490446 /nfs/dbraw/zinc/49/04/46/570490446.db2.gz NTYJLQDKSGYPLE-SOFGYWHQSA-N -1 3 367.257 4.225 50 0 FIAAHM [O-][C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000013942827 570798615 /nfs/dbraw/zinc/79/86/15/570798615.db2.gz ZNTYEIZBGYUCBH-INIZCTEOSA-N -1 3 363.364 4.162 50 0 FIAAHM O=C1CC(N(O)c2ccc(Cl)cc2)=C([O-])N1c1cccc2ccccc21 ZINC000101094566 570816180 /nfs/dbraw/zinc/81/61/80/570816180.db2.gz MRLLJUFTHQSWEC-SFHVURJKSA-N -1 3 366.804 4.021 50 0 FIAAHM CCc1cc(=O)[n-]c(-c2ccc(CN(Cc3ccsc3)C3CC3)cc2)n1 ZINC000023505777 570964362 /nfs/dbraw/zinc/96/43/62/570964362.db2.gz WIAZDTSQHJWZDD-UHFFFAOYSA-N -1 3 365.502 4.225 50 0 FIAAHM CCOc1ccccc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2[O-])[nH]n1 ZINC000072238541 570993479 /nfs/dbraw/zinc/99/34/79/570993479.db2.gz BFWXBJRRMARWHN-UHFFFAOYSA-N -1 3 371.824 4.395 50 0 FIAAHM Cc1ccsc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000028324298 571031202 /nfs/dbraw/zinc/03/12/02/571031202.db2.gz BZYQJNPRRNMJHV-UHFFFAOYSA-N -1 3 369.817 4.207 50 0 FIAAHM COc1cccc(-c2nsc([N-]C(=O)c3cccc(F)c3Cl)n2)c1 ZINC000173298954 571098261 /nfs/dbraw/zinc/09/82/61/571098261.db2.gz PDWQLELMFOUJTH-UHFFFAOYSA-N -1 3 363.801 4.259 50 0 FIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000000870871 571108103 /nfs/dbraw/zinc/10/81/03/571108103.db2.gz YSFLUCDNUBZFDN-UHFFFAOYSA-N -1 3 366.442 4.048 50 0 FIAAHM O=S(=O)([N-][C@H]1CCSc2ccccc21)c1ccccc1C(F)(F)F ZINC000012855029 571129398 /nfs/dbraw/zinc/12/93/98/571129398.db2.gz HSAOKHYEXFCGRR-ZDUSSCGKSA-N -1 3 373.421 4.221 50 0 FIAAHM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)n[nH]1 ZINC000033021767 571146377 /nfs/dbraw/zinc/14/63/77/571146377.db2.gz WIOANANLLROPTE-UHFFFAOYSA-N -1 3 355.463 4.111 50 0 FIAAHM Cc1cc(C)c(NC(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)c(Cl)c1 ZINC000299773748 571196511 /nfs/dbraw/zinc/19/65/11/571196511.db2.gz FOVOBPCSKOMVIH-AWEZNQCLSA-N -1 3 374.872 4.172 50 0 FIAAHM Cc1cc(C(=O)[N-]c2nc(-c3cccc(Br)c3)cs2)on1 ZINC000012621908 571204236 /nfs/dbraw/zinc/20/42/36/571204236.db2.gz BNSLGWVKDJDPDC-UHFFFAOYSA-N -1 3 364.224 4.121 50 0 FIAAHM CSc1nc2ccc([N-]S(=O)(=O)Cc3ccc(C)cc3)cc2s1 ZINC000033298825 571231042 /nfs/dbraw/zinc/23/10/42/571231042.db2.gz AOPCUMBSFRERLZ-UHFFFAOYSA-N -1 3 364.517 4.269 50 0 FIAAHM CCCOc1ccc(CNCCCCCCC(=O)[O-])c(OCCC)c1 ZINC000170612902 571267880 /nfs/dbraw/zinc/26/78/80/571267880.db2.gz VURHWTCPKIKLMN-UHFFFAOYSA-N -1 3 351.487 4.389 50 0 FIAAHM Cc1c([O-])ccc2c(CN3CCC(Cc4ccccc4)CC3)cc(=O)oc12 ZINC000002211816 571288270 /nfs/dbraw/zinc/28/82/70/571288270.db2.gz UJRNGDGSRAMBPW-UHFFFAOYSA-N -1 3 363.457 4.262 50 0 biogenic FIAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc2ncccc2c1 ZINC000079502180 571327668 /nfs/dbraw/zinc/32/76/68/571327668.db2.gz HAIDJXUGJKCYLK-INIZCTEOSA-N -1 3 354.435 4.142 50 0 FIAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccccc2[O-])no1 ZINC000020491431 571329889 /nfs/dbraw/zinc/32/98/89/571329889.db2.gz MCTWBMYVWIEEAT-UHFFFAOYSA-N -1 3 364.279 4.198 50 0 FIAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1[n-]nc2c1COc1ccccc1-2 ZINC000021018429 571332226 /nfs/dbraw/zinc/33/22/26/571332226.db2.gz VPSVDBBJGGTNIL-UHFFFAOYSA-N -1 3 359.307 4.240 50 0 FIAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1n[n-]c2c1COc1ccccc1-2 ZINC000021018429 571332227 /nfs/dbraw/zinc/33/22/27/571332227.db2.gz VPSVDBBJGGTNIL-UHFFFAOYSA-N -1 3 359.307 4.240 50 0 FIAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)cc2)o1 ZINC000021032023 571332241 /nfs/dbraw/zinc/33/22/41/571332241.db2.gz WMCGMGHIYSNWMS-UHFFFAOYSA-N -1 3 362.838 4.413 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccs2)S1 ZINC000096118453 571334498 /nfs/dbraw/zinc/33/44/98/571334498.db2.gz DARJCSKRRLMTMM-BXUZGUMPSA-N -1 3 363.508 4.254 50 0 FIAAHM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c(C)s2)c1C ZINC000096323524 571335398 /nfs/dbraw/zinc/33/53/98/571335398.db2.gz CWPSVTCKMKIKNK-UHFFFAOYSA-N -1 3 366.439 4.268 50 0 FIAAHM Cc1c(C)n(-c2ccccc2C)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000021801135 571336006 /nfs/dbraw/zinc/33/60/06/571336006.db2.gz APCCFQIURFCHCZ-UHFFFAOYSA-N -1 3 369.428 4.366 50 0 FIAAHM O=c1nc(CN2CCC[C@H]3CCCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000230039203 571340599 /nfs/dbraw/zinc/34/05/99/571340599.db2.gz VFHLDBRROGKFTK-UKRRQHHQSA-N -1 3 369.490 4.399 50 0 FIAAHM CCCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000031206281 571351498 /nfs/dbraw/zinc/35/14/98/571351498.db2.gz PXCXPBSHGNXBQL-UHFFFAOYSA-N -1 3 360.479 4.098 50 0 FIAAHM Cc1ccc(NC(=O)COc2ccccc2C2SCCS2)c([O-])c1 ZINC000008241805 571360020 /nfs/dbraw/zinc/36/00/20/571360020.db2.gz YBWDDETYPQFPJZ-UHFFFAOYSA-N -1 3 361.488 4.197 50 0 FIAAHM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cc1ccccc1 ZINC000016729669 209600970 /nfs/dbraw/zinc/60/09/70/209600970.db2.gz MAZGUBMZDRRETI-UHFFFAOYSA-N -1 3 353.443 4.087 50 0 FIAAHM CCSc1nnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)s1 ZINC000005450245 219681079 /nfs/dbraw/zinc/68/10/79/219681079.db2.gz QCUBHYJZPTWWSE-UHFFFAOYSA-N -1 3 366.489 4.063 50 0 FIAAHM 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Cc1occc1-c1nnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)o1 ZINC000007193712 207190025 /nfs/dbraw/zinc/19/00/25/207190025.db2.gz HWGZEBHWOFLQQT-UHFFFAOYSA-N -1 3 370.386 4.051 50 0 FIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000008108259 207219771 /nfs/dbraw/zinc/21/97/71/207219771.db2.gz FAAVPAWQCOWAEL-UHFFFAOYSA-N -1 3 354.269 4.121 50 0 FIAAHM C[C@@H](Oc1ccc(F)cc1)C(=O)[N-]c1cc(-c2ccc(F)c(F)c2)no1 ZINC000008654701 207240792 /nfs/dbraw/zinc/24/07/92/207240792.db2.gz DMNRIWVPDKWWCK-SNVBAGLBSA-N -1 3 362.307 4.165 50 0 FIAAHM C[C@H](Sc1ccccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000008747385 207246010 /nfs/dbraw/zinc/24/60/10/207246010.db2.gz IKDYBIWDOHFXPJ-JTQLQIEISA-N -1 3 355.444 4.493 50 0 FIAAHM COc1cc(Cl)c(S(=O)(=O)[N-]CCC2=CCCCC2)cc1Cl ZINC000028295936 207960440 /nfs/dbraw/zinc/96/04/40/207960440.db2.gz PYXRFXICDVZWEX-UHFFFAOYSA-N -1 3 364.294 4.171 50 0 FIAAHM CCc1nnc([N-]C(=O)c2sc(COc3cccc(C)c3)nc2C)s1 ZINC000035538774 208131135 /nfs/dbraw/zinc/13/11/35/208131135.db2.gz 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570657177 /nfs/dbraw/zinc/65/71/77/570657177.db2.gz NQTNEIPVDDNBDW-UHFFFAOYSA-N -1 3 363.442 4.297 50 0 FIAAHM O=c1[n-]c(SC/C=C/c2ccccc2)nc2c1cnn2-c1ccccc1 ZINC000017178071 570745835 /nfs/dbraw/zinc/74/58/35/570745835.db2.gz CGDPBGRAPCUWOA-JXMROGBWSA-N -1 3 360.442 4.327 50 0 FIAAHM COc1ccc(-c2onc(C)c2-c2ccc(C(=O)OC(C)C)o2)c([O-])c1 ZINC000013126197 570774182 /nfs/dbraw/zinc/77/41/82/570774182.db2.gz NVICOHXQPPKJOM-UHFFFAOYSA-N -1 3 357.362 4.189 50 0 biogenic FIAAHM CC(=O)C(Sc1ncnc2scc(-c3ccc(F)cc3)c21)=C(C)[O-] ZINC000101082434 570806034 /nfs/dbraw/zinc/80/60/34/570806034.db2.gz LZCIVUTUKZZCQP-UHFFFAOYSA-N -1 3 360.435 4.136 50 0 FIAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccccc4s3)c2)n1 ZINC000047317470 570886040 /nfs/dbraw/zinc/88/60/40/570886040.db2.gz YZSACRWYXPAEBK-UHFFFAOYSA-N -1 3 361.426 4.212 50 0 FIAAHM CCOC(=O)c1c(C)noc1[N-]C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019897584 570905906 /nfs/dbraw/zinc/90/59/06/570905906.db2.gz RFPBZHSAWGAKCZ-UHFFFAOYSA-N -1 3 358.181 4.111 50 0 FIAAHM Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)cc3[O-])cs2)cc1 ZINC000012773715 571092927 /nfs/dbraw/zinc/09/29/27/571092927.db2.gz POFIOBVZVPAEQK-UHFFFAOYSA-N -1 3 354.431 4.297 50 0 FIAAHM COc1ccc(-c2nc(=S)[nH]cc2Oc2ccccc2OC)c([O-])c1 ZINC000032501390 571110109 /nfs/dbraw/zinc/11/01/09/571110109.db2.gz VAEWEHUXYMQDEB-UHFFFAOYSA-N -1 3 356.403 4.321 50 0 FIAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=S)[N-]Cc1ccco1 ZINC000001000113 571142448 /nfs/dbraw/zinc/14/24/48/571142448.db2.gz JVVMDLZLZPZJAZ-UHFFFAOYSA-N -1 3 362.760 4.008 50 0 FIAAHM Cc1cccc(C)c1NC(=O)C1(NC(=O)c2cccc([O-])c2)CCCCC1 ZINC000075279407 571159359 /nfs/dbraw/zinc/15/93/59/571159359.db2.gz WZHGMGKZHVBYBH-UHFFFAOYSA-N -1 3 366.461 4.080 50 0 FIAAHM C[C@@H](NC(=O)Nc1ccnn1CC1CCCCC1)c1ccc([O-])c(F)c1 ZINC000299776832 571197073 /nfs/dbraw/zinc/19/70/73/571197073.db2.gz HJJIHHYVLGWFDQ-CYBMUJFWSA-N -1 3 360.433 4.191 50 0 FIAAHM CCc1nc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c[nH]1 ZINC000089279890 571197408 /nfs/dbraw/zinc/19/74/08/571197408.db2.gz 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/nfs/dbraw/zinc/31/47/08/571314708.db2.gz CYSRWWFFGLKKTI-UHFFFAOYSA-N -1 3 369.450 4.096 50 0 FIAAHM COc1cccc(CNCc2cccn2-c2sc(C)c(C)c2C(=O)[O-])c1 ZINC000021780997 571335951 /nfs/dbraw/zinc/33/59/51/571335951.db2.gz NWXKVPDNEHRLJW-UHFFFAOYSA-N -1 3 370.474 4.152 50 0 FIAAHM COc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[n-]2)c1 ZINC000021883819 571336093 /nfs/dbraw/zinc/33/60/93/571336093.db2.gz YSHJHCRLZPTORQ-UHFFFAOYSA-N -1 3 363.442 4.219 50 0 FIAAHM CC(C)(C)c1ccc(C(=O)C[C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000002570983 571339084 /nfs/dbraw/zinc/33/90/84/571339084.db2.gz SZRDBNDTKBULBA-GOSISDBHSA-N -1 3 373.880 4.453 50 0 FIAAHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003368506 571348470 /nfs/dbraw/zinc/34/84/70/571348470.db2.gz ZLALGXVLRUSZNU-UHFFFAOYSA-N -1 3 359.369 4.257 50 0 FIAAHM O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc([O-])cc1 ZINC000003530715 571350694 /nfs/dbraw/zinc/35/06/94/571350694.db2.gz HZJUCDQXHCIMDG-LJQANCHMSA-N -1 3 365.360 4.068 50 0 FIAAHM O=C([N-]c1nnc(-c2ccc(F)cc2)o1)c1cc(Cl)ccc1Cl ZINC000004275964 571357500 /nfs/dbraw/zinc/35/75/00/571357500.db2.gz SVUXPQTZPVPUQS-UHFFFAOYSA-N -1 3 352.152 4.435 50 0 FIAAHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1cccc2ccccc21 ZINC000001096363 219368838 /nfs/dbraw/zinc/36/88/38/219368838.db2.gz XDOJZCXIVKNPHQ-UHFFFAOYSA-N -1 3 356.834 4.326 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccsc2)S1 ZINC000096116800 209114607 /nfs/dbraw/zinc/11/46/07/209114607.db2.gz HZCRSKNVMRHBDP-JSGCOSHPSA-N -1 3 363.508 4.254 50 0 FIAAHM COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(OC)c1[O-] ZINC000004704953 207040941 /nfs/dbraw/zinc/04/09/41/207040941.db2.gz YAIMBAXPEUOFKR-UHFFFAOYSA-N -1 3 371.502 4.040 50 0 FIAAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 ZINC000005017497 207072916 /nfs/dbraw/zinc/07/29/16/207072916.db2.gz JHUYWNVZQFDLRT-LBPRGKRZSA-N -1 3 362.524 4.021 50 0 FIAAHM COc1ccc(Cc2sc(Nc3ccc(C(C)C)cc3)nc2[O-])cc1 ZINC000005807930 207117842 /nfs/dbraw/zinc/11/78/42/207117842.db2.gz 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571152347 /nfs/dbraw/zinc/15/23/47/571152347.db2.gz RPNABCBGTWULKS-UHFFFAOYSA-N -1 3 355.401 4.107 50 0 FIAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2ccccc2c1 ZINC000016087239 571153206 /nfs/dbraw/zinc/15/32/06/571153206.db2.gz FVRODXKLTRDVPT-LLVKDONJSA-N -1 3 365.376 4.297 50 0 FIAAHM Cc1ccc(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000071738839 571164330 /nfs/dbraw/zinc/16/43/30/571164330.db2.gz RTCVSCICGANNSO-INIZCTEOSA-N -1 3 359.416 4.464 50 0 FIAAHM Cc1cc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)ccc1[O-] ZINC000071751969 571164842 /nfs/dbraw/zinc/16/48/42/571164842.db2.gz QETFJXYRXPKBMR-HNNXBMFYSA-N -1 3 359.416 4.464 50 0 FIAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000001230792 571203689 /nfs/dbraw/zinc/20/36/89/571203689.db2.gz FSGZXUKKEZFTJN-HOTGVXAUSA-N -1 3 361.228 4.163 50 0 biogenic FIAAHM CCc1nc2sc([C@H](c3ccccc3F)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690036 571212717 /nfs/dbraw/zinc/21/27/17/571212717.db2.gz SNCTYSFMSVVDKV-WBMJQRKESA-N 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O=C(COc1ccccc1/C=C/c1ccc2cccc([O-])c2n1)N1CCCC1 ZINC000008131163 207220487 /nfs/dbraw/zinc/22/04/87/207220487.db2.gz JDVFAKIAIPQILC-ZRDIBKRKSA-N -1 3 374.440 4.112 50 0 FIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1cc(Cl)ccc1F ZINC000008728873 207245085 /nfs/dbraw/zinc/24/50/85/207245085.db2.gz OXJLTKHMCWBXJH-UHFFFAOYSA-N -1 3 368.846 4.057 50 0 FIAAHM O=c1[n-]c(SCc2cccc(Cl)c2)nc2c1cnn2-c1ccccc1 ZINC000009621889 207280655 /nfs/dbraw/zinc/28/06/55/207280655.db2.gz UNXDDLVLZQJMLE-UHFFFAOYSA-N -1 3 368.849 4.055 50 0 FIAAHM Cc1ccc(-n2ncc3c2nc(SCc2cccc(F)c2)[n-]c3=O)cc1 ZINC000011363977 207312669 /nfs/dbraw/zinc/31/26/69/207312669.db2.gz PATSYKYYWFIOFW-UHFFFAOYSA-N -1 3 366.421 4.261 50 0 FIAAHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C ZINC000032754981 208038778 /nfs/dbraw/zinc/03/87/78/208038778.db2.gz OHAQIMYGHUEJKY-UHFFFAOYSA-N -1 3 374.506 4.296 50 0 FIAAHM CCOC(=O)C(=Cc1ccc(C)s1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000033789373 208099100 /nfs/dbraw/zinc/09/91/00/208099100.db2.gz 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Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cs1 ZINC000013357910 571323227 /nfs/dbraw/zinc/32/32/27/571323227.db2.gz MPABMXJYPJPTPC-UHFFFAOYSA-N -1 3 362.451 4.367 50 0 FIAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2C1=Cc2ccccc2O[C@@H]1C ZINC000079473286 571327435 /nfs/dbraw/zinc/32/74/35/571327435.db2.gz WAFJPKFCHIXXLJ-PIGZYNQJSA-N -1 3 371.462 4.410 50 0 FIAAHM COc1ccccc1CNCc1c(C)n(-c2ccccc2)c(C)c1C(=O)[O-] ZINC000021025693 571332196 /nfs/dbraw/zinc/33/21/96/571332196.db2.gz QFQRURBEWYJHQL-UHFFFAOYSA-N -1 3 364.445 4.091 50 0 FIAAHM O=C(c1cccc(Cl)c1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000000709454 210263606 /nfs/dbraw/zinc/26/36/06/210263606.db2.gz SOXWDUURJPBWNH-INIZCTEOSA-N -1 3 374.790 4.373 50 0 FIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000000645655 210256355 /nfs/dbraw/zinc/25/63/55/210256355.db2.gz NYBDTHIQZSLAIF-ZDUSSCGKSA-N -1 3 371.458 4.367 50 0 FIAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000000630179 210253809 /nfs/dbraw/zinc/25/38/09/210253809.db2.gz UWLVTUUCRQPUCS-UHFFFAOYSA-N -1 3 364.623 4.042 50 0 FIAAHM CCOc1cccc2cc(-c3nnc([N-]C(=O)c4cccs4)o3)oc21 ZINC000009168045 210250441 /nfs/dbraw/zinc/25/04/41/210250441.db2.gz LZRCUFRIDLSMKX-UHFFFAOYSA-N -1 3 355.375 4.195 50 0 FIAAHM O=c1c([O-])c(-c2cc(Cl)cc3c2OCOC3)oc2ccc(Cl)cc12 ZINC000001105772 210223917 /nfs/dbraw/zinc/22/39/17/210223917.db2.gz FHSZMNSVPZALDZ-UHFFFAOYSA-N -1 3 365.168 4.339 50 0 biogenic FIAAHM C[C@]12CC[C@@H]3c4ccc([O-])c(Br)c4CC[C@@H]3[C@H]1CC[C@H]2O ZINC000245297737 210210967 /nfs/dbraw/zinc/21/09/67/210210967.db2.gz WSJCDIBESNMSPH-GYJQIRMQSA-N -1 3 351.284 4.372 50 0 biogenic FIAAHM C[C@H](NC(=O)Nc1ccnn1CC1CCCCC1)c1ccc([O-])c(F)c1 ZINC000299776835 210021857 /nfs/dbraw/zinc/02/18/57/210021857.db2.gz HJJIHHYVLGWFDQ-ZDUSSCGKSA-N -1 3 360.433 4.191 50 0 FIAAHM CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c([O-])cc1O ZINC000018130553 211191919 /nfs/dbraw/zinc/19/19/19/211191919.db2.gz BFBCHLVNXAHMHP-UHFFFAOYSA-N -1 3 366.417 4.269 50 0 FIAAHM Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000015923249 211150667 /nfs/dbraw/zinc/15/06/67/211150667.db2.gz XHKJGOTVQDZUQX-UHFFFAOYSA-N -1 3 358.854 4.311 50 0 FIAAHM Cc1ccccc1C(=O)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000015923249 211150671 /nfs/dbraw/zinc/15/06/71/211150671.db2.gz XHKJGOTVQDZUQX-UHFFFAOYSA-N -1 3 358.854 4.311 50 0 FIAAHM Cc1ccccc1C(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000015923249 211150676 /nfs/dbraw/zinc/15/06/76/211150676.db2.gz XHKJGOTVQDZUQX-UHFFFAOYSA-N -1 3 358.854 4.311 50 0 FIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000015529219 211131184 /nfs/dbraw/zinc/13/11/84/211131184.db2.gz PZJAQWGURJUTMY-UHFFFAOYSA-N -1 3 360.479 4.089 50 0 FIAAHM COc1ccc(-c2nc([N-]C(=O)c3cc4cc(Cl)ccc4o3)n[nH]2)cc1 ZINC000013628732 211043705 /nfs/dbraw/zinc/04/37/05/211043705.db2.gz FVKOXRKARZOCBI-UHFFFAOYSA-N -1 3 368.780 4.132 50 0 FIAAHM O=S(=O)([N-]C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 ZINC000013330639 211030999 /nfs/dbraw/zinc/03/09/99/211030999.db2.gz WQXSSSMSGTULIN-UHFFFAOYSA-N -1 3 363.891 4.469 50 0 FIAAHM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000006887815 210713237 /nfs/dbraw/zinc/71/32/37/210713237.db2.gz XSMUYOFJTKPFRV-UHFFFAOYSA-N -1 3 372.446 4.022 50 0 FIAAHM CC[C@H](C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1)c1ccccc1 ZINC000005640820 210633309 /nfs/dbraw/zinc/63/33/09/210633309.db2.gz JGLLORJGMMGZKF-DOMZBBRYSA-N -1 3 370.474 4.399 50 0 FIAAHM Cc1ccccc1-n1ncc2c1nc(SCCc1ccccc1)[n-]c2=O ZINC000009522315 210286099 /nfs/dbraw/zinc/28/60/99/210286099.db2.gz SPTLKXVNPKOEJR-UHFFFAOYSA-N -1 3 362.458 4.164 50 0 FIAAHM Cc1noc(-c2ccc(S(=O)(=O)[N-]C3CCCCCC3)s2)c1C ZINC000065031224 221164969 /nfs/dbraw/zinc/16/49/69/221164969.db2.gz GYSRHKJFJDZSPO-UHFFFAOYSA-N -1 3 354.497 4.021 50 0 FIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(C)c1 ZINC000071385094 221345413 /nfs/dbraw/zinc/34/54/13/221345413.db2.gz KJEPYSQAGBZWEA-UHFFFAOYSA-N -1 3 366.486 4.398 50 0 FIAAHM Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)ccc1[O-] ZINC000071752552 221363617 /nfs/dbraw/zinc/36/36/17/221363617.db2.gz CQUWCANRCCJXLN-HNNXBMFYSA-N -1 3 359.416 4.464 50 0 FIAAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3cccc(Br)c3)C12 ZINC000101101915 222262398 /nfs/dbraw/zinc/26/23/98/222262398.db2.gz JLBDZJXSAXHGLU-ZDUSSCGKSA-N -1 3 361.199 4.067 50 0 FIAAHM CC(C)c1cc(C(=O)N(C)[C@H](C)Cc2cnccn2)c([O-])c(C(C)C)c1 ZINC000219251224 568279833 /nfs/dbraw/zinc/27/98/33/568279833.db2.gz RWSVIUOJUBPDHJ-OAHLLOKOSA-N -1 3 355.482 4.132 50 0 FIAAHM CSc1nc2ccc([N-]S(=O)(=O)CCc3ccccc3)cc2s1 ZINC000033298830 568485020 /nfs/dbraw/zinc/48/50/20/568485020.db2.gz YBTSHOYYNGIZIM-UHFFFAOYSA-N -1 3 364.517 4.003 50 0 FIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000002740296 570529460 /nfs/dbraw/zinc/52/94/60/570529460.db2.gz PKIKNNGPVMOVHH-UHFFFAOYSA-N -1 3 355.415 4.288 50 0 FIAAHM O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-])NCc1ccco1 ZINC000002849080 570536985 /nfs/dbraw/zinc/53/69/85/570536985.db2.gz NTPOIQFZZZYWLW-KRWDZBQOSA-N -1 3 355.821 4.477 50 0 FIAAHM O=c1[n-]nc(-c2cccs2)c2cn(-c3ccc(Br)cc3)nc21 ZINC000035324940 570576421 /nfs/dbraw/zinc/57/64/21/570576421.db2.gz JCKBHSUJDBZJIJ-UHFFFAOYSA-N -1 3 373.235 4.012 50 0 FIAAHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1 ZINC000004553236 570595894 /nfs/dbraw/zinc/59/58/94/570595894.db2.gz ZFIDZLZFXVQDLI-QGZVFWFLSA-N -1 3 356.388 4.418 50 0 FIAAHM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)cc1 ZINC000004809549 570607607 /nfs/dbraw/zinc/60/76/07/570607607.db2.gz FGFUOCBTFBZWRF-UHFFFAOYSA-N -1 3 360.479 4.043 50 0 FIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000006415699 570646984 /nfs/dbraw/zinc/64/69/84/570646984.db2.gz IAHKBLABHQBSLU-UHFFFAOYSA-N -1 3 372.412 4.352 50 0 FIAAHM CC(C)(C)C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000006781288 570654011 /nfs/dbraw/zinc/65/40/11/570654011.db2.gz RJYLBMKOOJWDMO-UHFFFAOYSA-N -1 3 369.446 4.060 50 0 FIAAHM Cc1ccc(NC(=N)Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1C ZINC000009090034 570691393 /nfs/dbraw/zinc/69/13/93/570691393.db2.gz UDDJNYUXGKXBKG-UHFFFAOYSA-N -1 3 361.449 4.157 50 0 FIAAHM [O-]c1ccc(CN2CCC[C@@](CO)(Cc3ccccc3F)C2)cc1Cl ZINC000012021064 570714138 /nfs/dbraw/zinc/71/41/38/570714138.db2.gz BDPDRQCSYARXLJ-HXUWFJFHSA-N -1 3 363.860 4.002 50 0 FIAAHM C[C@H](SC[C@H]1CCCO1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032778807 570800282 /nfs/dbraw/zinc/80/02/82/570800282.db2.gz NYSXFWVBPPKYFJ-WDEREUQCSA-N -1 3 362.476 4.218 50 0 FIAAHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1[O-] ZINC000032921869 570862291 /nfs/dbraw/zinc/86/22/91/570862291.db2.gz YNPHWSPXTDPNBQ-UHFFFAOYSA-N -1 3 370.630 4.134 50 0 FIAAHM CSc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)c1 ZINC000012168518 570890447 /nfs/dbraw/zinc/89/04/47/570890447.db2.gz TZQJWJJPSZSAAH-UHFFFAOYSA-N -1 3 366.442 4.340 50 0 FIAAHM CCCc1nc(-n2cccc2)sc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000049545192 570963656 /nfs/dbraw/zinc/96/36/56/570963656.db2.gz ABIHXUITAPZGJF-UHFFFAOYSA-N -1 3 361.496 4.114 50 0 FIAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccccc1)SCC(=O)N2 ZINC000005769839 570968839 /nfs/dbraw/zinc/96/88/39/570968839.db2.gz BXEUNNJPSJCGFG-KRWDZBQOSA-N -1 3 357.479 4.496 50 0 FIAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1cccc(Cl)c1 ZINC000008314450 571039822 /nfs/dbraw/zinc/03/98/22/571039822.db2.gz DJFMYNWIVJPMFP-SECBINFHSA-N -1 3 364.883 4.306 50 0 FIAAHM CC(=O)c1c(C)[nH]c([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c1C ZINC000012680635 571043887 /nfs/dbraw/zinc/04/38/87/571043887.db2.gz TXKLRAYTWVZYCA-MRXNPFEDSA-N -1 3 368.380 4.242 50 0 FIAAHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000030606520 571048514 /nfs/dbraw/zinc/04/85/14/571048514.db2.gz XTYHHFPMUDUBLK-UHFFFAOYSA-N -1 3 365.418 4.057 50 0 FIAAHM Cc1c(CNCc2cccs2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932505 571076171 /nfs/dbraw/zinc/07/61/71/571076171.db2.gz AFOBVQZHXVOYCJ-UHFFFAOYSA-N -1 3 372.465 4.342 50 0 FIAAHM Cc1csc(SCCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000012753180 571077463 /nfs/dbraw/zinc/07/74/63/571077463.db2.gz SKGSNXNSVPOJKI-UHFFFAOYSA-N -1 3 362.520 4.188 50 0 FIAAHM Cc1nc(-c2cccc(F)c2)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000072405912 571146272 /nfs/dbraw/zinc/14/62/72/571146272.db2.gz WWUSXBMQIIVZIW-UHFFFAOYSA-N -1 3 360.439 4.239 50 0 FIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1cccc2ccccc21 ZINC000006238013 571167631 /nfs/dbraw/zinc/16/76/31/571167631.db2.gz PURWBMCOSPXEOX-UHFFFAOYSA-N -1 3 366.471 4.417 50 0 FIAAHM COc1ccccc1-c1nc([N-]C(=O)c2cc(Cl)sc2Cl)n[nH]1 ZINC000052778748 571171173 /nfs/dbraw/zinc/17/11/73/571171173.db2.gz LDYATSDTQGKJGJ-UHFFFAOYSA-N -1 3 369.233 4.101 50 0 FIAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCc4ccccc43)s2)o1 ZINC000065003897 571250114 /nfs/dbraw/zinc/25/01/14/571250114.db2.gz DOPAPULJDGFCAQ-HNNXBMFYSA-N -1 3 374.487 4.067 50 0 FIAAHM Cc1ncc(CO)c(CNc2cccc(SCC3CCCC3)c2)c1[O-] ZINC000095469320 571330624 /nfs/dbraw/zinc/33/06/24/571330624.db2.gz UWRBCBKQXLSGAB-UHFFFAOYSA-N -1 3 358.507 4.482 50 0 FIAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@@H](c1ccc(O)cc1)SCC(=O)N2 ZINC000095475532 571330854 /nfs/dbraw/zinc/33/08/54/571330854.db2.gz SBBJZGQPOQIDLO-QGZVFWFLSA-N -1 3 373.478 4.202 50 0 FIAAHM Cc1cccc(NC(=O)c2sc(=S)n3c4ccsc4c(=O)[n-]c23)c1 ZINC000002956416 571342934 /nfs/dbraw/zinc/34/29/34/571342934.db2.gz NCEHRUBDRDOVKN-UHFFFAOYSA-N -1 3 373.484 4.194 50 0 FIAAHM COc1ccc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3Cl)o2)cc1 ZINC000004276078 571357596 /nfs/dbraw/zinc/35/75/96/571357596.db2.gz HZLPGPQBBZSNRD-UHFFFAOYSA-N -1 3 364.188 4.304 50 0 FIAAHM COc1ccccc1-c1c(-c2ccc(O)cc2[O-])n[nH]c1C(F)(F)F ZINC000096793144 210240121 /nfs/dbraw/zinc/24/01/21/210240121.db2.gz QMQLKXZRLSKARP-UHFFFAOYSA-N -1 3 350.296 4.182 50 0 FIAAHM O=C([N-]c1snnc1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1 ZINC000001417002 210075038 /nfs/dbraw/zinc/07/50/38/210075038.db2.gz JVHHSZXOPPKYQO-UHFFFAOYSA-N -1 3 373.825 4.088 50 0 FIAAHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)cc2)co1 ZINC000021111263 211307757 /nfs/dbraw/zinc/30/77/57/211307757.db2.gz 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50 0 FIAAHM O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cccc([O-])c2)s1 ZINC000023053495 211373250 /nfs/dbraw/zinc/37/32/50/211373250.db2.gz FNTJUVWYXBLCRF-UVTDQMKNSA-N -1 3 357.822 4.233 50 0 FIAAHM Cc1ccc([O-])c(-n2c(=O)c3c4c(sc3[nH]c2=S)CCCCCC4)c1 ZINC000017076346 211179733 /nfs/dbraw/zinc/17/97/33/211179733.db2.gz NAWNCBPNFYJFDH-UHFFFAOYSA-N -1 3 372.515 4.409 50 0 FIAAHM CC(C)(C)c1ccc([O-])c(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c1 ZINC000017076345 211178960 /nfs/dbraw/zinc/17/89/60/211178960.db2.gz KNPXAFHHCLLXMU-UHFFFAOYSA-N -1 3 372.515 4.228 50 0 FIAAHM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2Cl)S1 ZINC000017074832 211177771 /nfs/dbraw/zinc/17/77/71/211177771.db2.gz WMYHJIYPQYXLJJ-CHHVJCJISA-N -1 3 363.797 4.382 50 0 FIAAHM CCCc1oc(-c2ccccc2)cc1C(=O)[N-]c1nc(CC(C)=O)ns1 ZINC000016625723 211164490 /nfs/dbraw/zinc/16/44/90/211164490.db2.gz ARCCAALUJXQESW-UHFFFAOYSA-N -1 3 369.446 4.134 50 0 FIAAHM CC(C)Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn32)[n-]n1 ZINC000015919763 211151008 /nfs/dbraw/zinc/15/10/08/211151008.db2.gz ODFGRAQJCMTNGC-UHFFFAOYSA-N -1 3 358.858 4.095 50 0 FIAAHM Cc1c(CNCc2ccccc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776776 211143338 /nfs/dbraw/zinc/14/33/38/211143338.db2.gz VRJBAOJRYZPWQL-UHFFFAOYSA-N -1 3 362.473 4.450 50 0 FIAAHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)[N-]Cc1ccco1 ZINC000001040895 210306516 /nfs/dbraw/zinc/30/65/16/210306516.db2.gz KNEHGLCCAWOWRR-UHFFFAOYSA-N -1 3 362.760 4.008 50 0 FIAAHM CCOC(=O)[N-]C(=S)Nc1ccc(C(C)(C)C)cc1Br ZINC000001042736 210305892 /nfs/dbraw/zinc/30/58/92/210305892.db2.gz GMXODFQIYRQPFS-UHFFFAOYSA-N -1 3 359.289 4.190 50 0 FIAAHM Cc1cccc(C(=O)N2CCc3onc(-c4ccc(Cl)cc4)c3C2)c1[O-] ZINC000067850817 221295261 /nfs/dbraw/zinc/29/52/61/221295261.db2.gz VYYCDHKGBMAIMN-UHFFFAOYSA-N -1 3 368.820 4.208 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccs2)S1 ZINC000096118454 222032553 /nfs/dbraw/zinc/03/25/53/222032553.db2.gz DARJCSKRRLMTMM-SMDDNHRTSA-N -1 3 363.508 4.254 50 0 FIAAHM O=C(Nc1cccc2n[n-]nc21)N1CCCC[C@H]1CCc1cccs1 ZINC000096160478 222059981 /nfs/dbraw/zinc/05/99/81/222059981.db2.gz LITLJGRJKSLAJY-ZDUSSCGKSA-N -1 3 355.467 4.039 50 0 FIAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccs3)nc(=O)c2c1C ZINC000096792522 222130718 /nfs/dbraw/zinc/13/07/18/222130718.db2.gz ZHTRUYOIZVQHEL-RMKNXTFCSA-N -1 3 366.851 4.290 50 0 FIAAHM [O-]c1ccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000106422393 222386735 /nfs/dbraw/zinc/38/67/35/222386735.db2.gz IJUKSBHABSDQEV-INIZCTEOSA-N -1 3 359.216 4.347 50 0 FIAAHM O=C1N2c3c(cccc3Sc3ccc(Cl)cc32)[C@@]1([O-])C(F)(F)F ZINC000005065950 570581074 /nfs/dbraw/zinc/58/10/74/570581074.db2.gz UHCQUNKLEKIMHB-AWEZNQCLSA-N -1 3 357.740 4.233 50 0 FIAAHM C[C@@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(F)c(F)c2)no1 ZINC000011914848 570601372 /nfs/dbraw/zinc/60/13/72/570601372.db2.gz HDCZYACLPZDWET-SNVBAGLBSA-N -1 3 362.307 4.165 50 0 FIAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(C)no1 ZINC000006738089 570653265 /nfs/dbraw/zinc/65/32/65/570653265.db2.gz ZLBLCZSAXKLABO-UHFFFAOYSA-N -1 3 356.403 4.141 50 0 FIAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1 ZINC000004327172 570701743 /nfs/dbraw/zinc/70/17/43/570701743.db2.gz CUFUDVXHXJSFGT-KRWDZBQOSA-N -1 3 373.478 4.114 50 0 FIAAHM COc1cccc(C(=O)[C@H]2CCCN(Cc3ccc([O-])c(Cl)c3)C2)c1 ZINC000012576797 570751466 /nfs/dbraw/zinc/75/14/66/570751466.db2.gz ZMECFTYRNOGTHV-INIZCTEOSA-N -1 3 359.853 4.149 50 0 FIAAHM CCn1c(=O)c2ccccc2c2c([O-])nc(-c3cccc(C(F)(F)F)c3)n21 ZINC000102224260 570829462 /nfs/dbraw/zinc/82/94/62/570829462.db2.gz ZOKDAVRUSDQQCY-UHFFFAOYSA-N -1 3 373.334 4.061 50 0 FIAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 ZINC000005769760 570968865 /nfs/dbraw/zinc/96/88/65/570968865.db2.gz BXEUNNJPSJCGFG-QGZVFWFLSA-N -1 3 357.479 4.496 50 0 FIAAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1cccc(Cl)c1 ZINC000008314447 571039882 /nfs/dbraw/zinc/03/98/82/571039882.db2.gz DJFMYNWIVJPMFP-VIFPVBQESA-N -1 3 364.883 4.306 50 0 FIAAHM Cc1c([O-])ccc2c(CN(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc(=O)oc12 ZINC000012767707 571086610 /nfs/dbraw/zinc/08/66/10/571086610.db2.gz UOKOUJXRDREHBW-PXAZEXFGSA-N -1 3 353.418 4.155 50 0 FIAAHM CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)C1(C)C ZINC000229709900 571094879 /nfs/dbraw/zinc/09/48/79/571094879.db2.gz MKEIXLNVZVEZLM-LNSITVRQSA-N -1 3 374.506 4.444 50 0 FIAAHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000058166496 571126685 /nfs/dbraw/zinc/12/66/85/571126685.db2.gz CEVYYMUSZHPELR-UHFFFAOYSA-N -1 3 371.443 4.412 50 0 FIAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000012561150 571182895 /nfs/dbraw/zinc/18/28/95/571182895.db2.gz VVJQYDSAXOWMRO-AWEZNQCLSA-N -1 3 372.490 4.349 50 0 FIAAHM CC(C)CC[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297788 571230837 /nfs/dbraw/zinc/23/08/37/571230837.db2.gz ZZVRLRNCEJOOLK-UHFFFAOYSA-N -1 3 372.581 4.494 50 0 FIAAHM Cc1ccccc1-c1csc2[n-]c(CN3CCCC[C@@H]3C)nc(=O)c12 ZINC000036203834 571245034 /nfs/dbraw/zinc/24/50/34/571245034.db2.gz HIFCIURDHLOQRO-AWEZNQCLSA-N -1 3 353.491 4.334 50 0 FIAAHM COc1cccc(-c2csc3[n-]c(CN4CCCC[C@@H]4C)nc(=O)c23)c1 ZINC000036204030 571245181 /nfs/dbraw/zinc/24/51/81/571245181.db2.gz ZHFWNSIGQFHCFC-ZDUSSCGKSA-N -1 3 369.490 4.035 50 0 FIAAHM CCCc1nnsc1C(=O)[N-]c1nc(-c2ccccc2)c(C(C)=O)s1 ZINC000036709405 571261480 /nfs/dbraw/zinc/26/14/80/571261480.db2.gz NVILYEUFAUQWEG-UHFFFAOYSA-N -1 3 372.475 4.069 50 0 FIAAHM CC(C)[C@H](NCc1nc(-c2cc(Cl)ccc2Cl)cs1)C(=O)[O-] ZINC000170090822 571262198 /nfs/dbraw/zinc/26/21/98/571262198.db2.gz LHGLRQNVLMNTCD-AWEZNQCLSA-N -1 3 359.278 4.316 50 0 FIAAHM C[C@@H]1C[C@@H](C)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000007285442 571263979 /nfs/dbraw/zinc/26/39/79/571263979.db2.gz JQYURUGRJHBQPG-ZIAGYGMSSA-N -1 3 353.491 4.130 50 0 FIAAHM O=S(=O)([N-][C@@H](c1cccs1)c1ccccc1)c1ccc(F)c(F)c1 ZINC000007702336 571286073 /nfs/dbraw/zinc/28/60/73/571286073.db2.gz SQUQLZDXUJIALK-QGZVFWFLSA-N -1 3 365.426 4.094 50 0 FIAAHM COc1ccc(Cn2c(N)c(-c3nc4ccccc4[n-]3)sc2=S)cc1 ZINC000094992828 571328564 /nfs/dbraw/zinc/32/85/64/571328564.db2.gz QUSRZZJQRNDLAA-UHFFFAOYSA-N -1 3 368.487 4.461 50 0 FIAAHM O=c1[n-]n(C2CCCC2)c2c1[C@@H](c1ccccc1Cl)SCC(=O)N2 ZINC000095480830 571331060 /nfs/dbraw/zinc/33/10/60/571331060.db2.gz OLIKCGVEVAQUDN-OAHLLOKOSA-N -1 3 363.870 4.369 50 0 FIAAHM O=c1[n-]n(C2CCCC2)c2c1[C@H](c1ccccc1Cl)SCC(=O)N2 ZINC000095480831 571331083 /nfs/dbraw/zinc/33/10/83/571331083.db2.gz OLIKCGVEVAQUDN-HNNXBMFYSA-N -1 3 363.870 4.369 50 0 FIAAHM COc1ccc2cc(-c3nnc([N-]c4ccccc4F)s3)c(=O)oc2c1 ZINC000002956042 571342952 /nfs/dbraw/zinc/34/29/52/571342952.db2.gz IUEOIGMPIYWVBV-UHFFFAOYSA-N -1 3 369.377 4.203 50 0 FIAAHM CSc1nnc2c(n1)O[C@H](c1cc([O-])ccc1Cl)Nc1ccccc1-2 ZINC000002977821 571343238 /nfs/dbraw/zinc/34/32/38/571343238.db2.gz FWNFLPGYPFGMSR-OAHLLOKOSA-N -1 3 372.837 4.123 50 0 FIAAHM C[C@@H]1CCc2c(sc([N-]c3nc4c(cccc4F)s3)c2C(N)=O)C1 ZINC000004137679 571355920 /nfs/dbraw/zinc/35/59/20/571355920.db2.gz ZTMGOFZWXPCDQQ-MRVPVSSYSA-N -1 3 361.467 4.464 50 0 FIAAHM CCOc1ccc(C(C)=O)cc1CSc1n[n-]c(-c2cccs2)n1 ZINC000008230745 571359988 /nfs/dbraw/zinc/35/99/88/571359988.db2.gz RTMPVHXPJSASQI-UHFFFAOYSA-N -1 3 359.476 4.427 50 0 FIAAHM CC(C)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000008290723 571360254 /nfs/dbraw/zinc/36/02/54/571360254.db2.gz YSAYPURSKGAGNO-UHFFFAOYSA-N -1 3 366.870 4.125 50 0 FIAAHM COC(=O)[N-]C(=S)Nc1ccc(Oc2ccc(OC)cc2)c(Cl)c1 ZINC000000722129 210265387 /nfs/dbraw/zinc/26/53/87/210265387.db2.gz ZEZQGQBXNPRDLT-UHFFFAOYSA-N -1 3 366.826 4.194 50 0 FIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000000879722 219335074 /nfs/dbraw/zinc/33/50/74/219335074.db2.gz WKYZKRYLWRYMMF-UHFFFAOYSA-N -1 3 367.426 4.015 50 0 FIAAHM O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1nc[n-]n1 ZINC000005521782 219686755 /nfs/dbraw/zinc/68/67/55/219686755.db2.gz YXYZRZKHFQPXTH-UHFFFAOYSA-N -1 3 374.187 4.172 50 0 FIAAHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2ccccc2c1 ZINC000016087240 220177003 /nfs/dbraw/zinc/17/70/03/220177003.db2.gz FVRODXKLTRDVPT-NSHDSACASA-N -1 3 365.376 4.297 50 0 FIAAHM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)on1 ZINC000020580025 211286890 /nfs/dbraw/zinc/28/68/90/211286890.db2.gz XMHDGLCXMXXQJY-UHFFFAOYSA-N -1 3 364.373 4.037 50 0 FIAAHM Cc1cc(C(=O)[N-]c2sccc2C(=O)Nc2ccc(Cl)cc2)no1 ZINC000017074482 211177047 /nfs/dbraw/zinc/17/70/47/211177047.db2.gz CWEWYSRSMYRQAD-UHFFFAOYSA-N -1 3 361.810 4.203 50 0 FIAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]C(C)(C)CC(C)(C)C ZINC000016780537 211169688 /nfs/dbraw/zinc/16/96/88/211169688.db2.gz LJTNFCHUNIJBTR-UHFFFAOYSA-N -1 3 368.326 4.495 50 0 FIAAHM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1ccccc1SC(F)F ZINC000014603256 211096962 /nfs/dbraw/zinc/09/69/62/211096962.db2.gz FCJYXEBBKUESGY-UHFFFAOYSA-N -1 3 360.389 4.143 50 0 FIAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(Br)cc1 ZINC000014244770 211088888 /nfs/dbraw/zinc/08/88/88/211088888.db2.gz QCAXESMHZCXIQQ-UHFFFAOYSA-N -1 3 364.623 4.042 50 0 FIAAHM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)[N-]OCc1ccccc1 ZINC000010318665 210354409 /nfs/dbraw/zinc/35/44/09/210354409.db2.gz XWIIJMFPCPYJCS-UHFFFAOYSA-N -1 3 369.852 4.063 50 0 FIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNCc2ccccc2)cc1 ZINC000001175500 210330407 /nfs/dbraw/zinc/33/04/07/210330407.db2.gz PNJPLXIHJAOJCR-UHFFFAOYSA-N -1 3 366.486 4.086 50 0 FIAAHM O=C([N-]c1nnc(COc2ccc(Cl)cc2Cl)s1)c1ccco1 ZINC000001053226 210310095 /nfs/dbraw/zinc/31/00/95/210310095.db2.gz GRMHQPKOLMZTMV-UHFFFAOYSA-N -1 3 370.217 4.269 50 0 FIAAHM O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=S)[N-]Cc1ccccc1 ZINC000001040894 210306917 /nfs/dbraw/zinc/30/69/17/210306917.db2.gz XAJRKJNVBPNNAM-UHFFFAOYSA-N -1 3 372.799 4.415 50 0 FIAAHM O=S(=O)([N-][C@H](c1cccs1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000852252 210280585 /nfs/dbraw/zinc/28/05/85/210280585.db2.gz NNNLFBBUKQKHSN-LLVKDONJSA-N -1 3 370.710 4.138 50 0 FIAAHM COc1ccc(-c2cnc(C(=O)[N-]c3nc4ccccc4s3)o2)cc1 ZINC000009321591 210270668 /nfs/dbraw/zinc/27/06/68/210270668.db2.gz 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CC(=O)c1cc(Cl)cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)c1[O-] ZINC000067885672 221300869 /nfs/dbraw/zinc/30/08/69/221300869.db2.gz ZNXUFIAPDTTYOL-CYBMUJFWSA-N -1 3 359.853 4.308 50 0 FIAAHM Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCCCCC1 ZINC000071282644 221338278 /nfs/dbraw/zinc/33/82/78/221338278.db2.gz LOZDBKSQNLRPKC-AWEZNQCLSA-N -1 3 358.442 4.190 50 0 FIAAHM CC1=Nc2c(c(=O)[n-]n2C2CCCCCCC2)[C@H](c2cnn(C)c2)S1 ZINC000071287425 221340057 /nfs/dbraw/zinc/34/00/57/221340057.db2.gz BWALXWLVLZSJIQ-INIZCTEOSA-N -1 3 359.499 4.494 50 0 FIAAHM O=C(Nc1cccc2n[n-]nc21)N1CCCC[C@@H]1CCc1cccs1 ZINC000096160475 222060203 /nfs/dbraw/zinc/06/02/03/222060203.db2.gz LITLJGRJKSLAJY-CYBMUJFWSA-N -1 3 355.467 4.039 50 0 FIAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccsc3)nc(=O)c2c1C ZINC000096792490 222130159 /nfs/dbraw/zinc/13/01/59/222130159.db2.gz JWFLMYSJABZIAS-WEVVVXLNSA-N -1 3 366.851 4.290 50 0 FIAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000007405302 571265084 /nfs/dbraw/zinc/26/50/84/571265084.db2.gz VDNUIBOLEBEWDK-UHFFFAOYSA-N -1 3 364.623 4.042 50 0 FIAAHM O=c1[n-]c(CN2CCC[C@@H]2c2cccs2)nc2c3ccccc3oc21 ZINC000024821994 568139878 /nfs/dbraw/zinc/13/98/78/568139878.db2.gz QEBQYWPJQXNEDZ-CYBMUJFWSA-N -1 3 351.431 4.068 50 0 FIAAHM O=C([O-])c1ccc([C@@H]2CCCN(Cc3c[nH]c(CC4CCCC4)n3)C2)cc1 ZINC000095380940 570459152 /nfs/dbraw/zinc/45/91/52/570459152.db2.gz IHGGOEAVFUQUPK-LJQANCHMSA-N -1 3 367.493 4.220 50 0 FIAAHM O=C([O-])c1ccc([C@@H]2CCCN(Cc3cnc(CC4CCCC4)[nH]3)C2)cc1 ZINC000095380940 570459156 /nfs/dbraw/zinc/45/91/56/570459156.db2.gz IHGGOEAVFUQUPK-LJQANCHMSA-N -1 3 367.493 4.220 50 0 FIAAHM CC(C)Cc1cc(C(=O)[N-]c2c(F)cc(F)cc2Br)no1 ZINC000002465785 570521992 /nfs/dbraw/zinc/52/19/92/570521992.db2.gz LZSQGYVMNGUVFA-UHFFFAOYSA-N -1 3 359.170 4.166 50 0 aggregator FIAAHM O=S(=O)([N-]CCSC1CCCCC1)c1cc(Cl)ccc1Cl ZINC000002813189 570533586 /nfs/dbraw/zinc/53/35/86/570533586.db2.gz JNUUVBRRUZBPMJ-UHFFFAOYSA-N -1 3 368.351 4.338 50 0 FIAAHM O=C(NCc1cccc(C(F)(F)F)c1)c1c[n-]nc1-c1cccs1 ZINC000072329462 570541755 /nfs/dbraw/zinc/54/17/55/570541755.db2.gz WAWZCPOZXJBKGL-UHFFFAOYSA-N -1 3 351.353 4.087 50 0 FIAAHM Cc1nnc([N-]C(=O)c2sc(-c3ccccc3Cl)nc2C)s1 ZINC000050288523 570544962 /nfs/dbraw/zinc/54/49/62/570544962.db2.gz LZQJDQUSZSUAOG-UHFFFAOYSA-N -1 3 350.856 4.184 50 0 FIAAHM Cc1c(CNCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005146359 570590771 /nfs/dbraw/zinc/59/07/71/570590771.db2.gz TYWJMCHRIKLOFK-UHFFFAOYSA-N -1 3 362.473 4.450 50 0 FIAAHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(C)c2)N1 ZINC000004904993 570612766 /nfs/dbraw/zinc/61/27/66/570612766.db2.gz IMNLQFLASXPIGU-QGZVFWFLSA-N -1 3 356.388 4.418 50 0 FIAAHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000002637598 570655396 /nfs/dbraw/zinc/65/53/96/570655396.db2.gz QQYOKQWKGDGAKA-INIZCTEOSA-N -1 3 356.274 4.349 50 0 FIAAHM CC[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5[O-])nc4c23)C1 ZINC000002787434 570671661 /nfs/dbraw/zinc/67/16/61/570671661.db2.gz STKFLJDBPDKSMD-NSHDSACASA-N -1 3 350.447 4.227 50 0 FIAAHM CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(N(C)C)cc1 ZINC000005643056 570683707 /nfs/dbraw/zinc/68/37/07/570683707.db2.gz VHBHELFMIBWADH-PXAZEXFGSA-N -1 3 374.510 4.028 50 0 FIAAHM CC(C)CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccc(O)c1 ZINC000081046728 570723936 /nfs/dbraw/zinc/72/39/36/570723936.db2.gz FKZPGIGFOXVCFR-UHFFFAOYSA-N -1 3 363.417 4.038 50 0 FIAAHM O=S(=O)([N-]CC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl ZINC000004580640 570849498 /nfs/dbraw/zinc/84/94/98/570849498.db2.gz KPXRQOBEHLTPHE-UHFFFAOYSA-N -1 3 374.333 4.488 50 0 FIAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)c1ccc(Cl)cc1Cl ZINC000044858599 570899761 /nfs/dbraw/zinc/89/97/61/570899761.db2.gz YUOBEAKKJZEOBK-UHFFFAOYSA-N -1 3 354.218 4.347 50 0 FIAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1Cl ZINC000044858599 570899766 /nfs/dbraw/zinc/89/97/66/570899766.db2.gz YUOBEAKKJZEOBK-UHFFFAOYSA-N -1 3 354.218 4.347 50 0 FIAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)c1ccc(Cl)cc1Cl ZINC000044858599 570899768 /nfs/dbraw/zinc/89/97/68/570899768.db2.gz 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ZINC000007503666 571266990 /nfs/dbraw/zinc/26/69/90/571266990.db2.gz XNAFKHQBGHZMBF-QWHCGFSZSA-N -1 3 365.502 4.233 50 0 FIAAHM CC(C)c1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000076486468 571275390 /nfs/dbraw/zinc/27/53/90/571275390.db2.gz WHIUYGMRHURPMY-NRFANRHFSA-N -1 3 353.462 4.101 50 0 FIAAHM CC[C@H](CSC)N(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000095459558 571330219 /nfs/dbraw/zinc/33/02/19/571330219.db2.gz BSEQUWVWKKECNP-CQSZACIVSA-N -1 3 373.547 4.225 50 0 FIAAHM O=C(COC(=O)c1ccc(Cl)cc1[O-])Nc1ccc(Cl)cc1Cl ZINC000002634874 571339703 /nfs/dbraw/zinc/33/97/03/571339703.db2.gz LAIUIZSTRQELAE-UHFFFAOYSA-N -1 3 374.607 4.148 50 0 FIAAHM Cc1ccc(C)c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000002717744 571340488 /nfs/dbraw/zinc/34/04/88/571340488.db2.gz CQAIXTARFQJUFI-UHFFFAOYSA-N -1 3 362.458 4.430 50 0 FIAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc3c4c(cccc42)CC3)N1 ZINC000003024742 571343623 /nfs/dbraw/zinc/34/36/23/571343623.db2.gz JTOZFSYHVYFHID-UNMCSNQZSA-N -1 3 368.436 4.108 50 0 FIAAHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc3c4c(cccc42)CC3)N1 ZINC000003024737 571343655 /nfs/dbraw/zinc/34/36/55/571343655.db2.gz JTOZFSYHVYFHID-IRLDBZIGSA-N -1 3 368.436 4.108 50 0 FIAAHM CN(C(=O)CSc1nnc([N-]c2ccccc2F)s1)c1ccccc1 ZINC000003376432 571348645 /nfs/dbraw/zinc/34/86/45/571348645.db2.gz GBKCTRSBPUQXHQ-UHFFFAOYSA-N -1 3 374.466 4.176 50 0 FIAAHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000003905102 571353148 /nfs/dbraw/zinc/35/31/48/571353148.db2.gz IRTJSXKHLACTRQ-OAHLLOKOSA-N -1 3 362.779 4.229 50 0 FIAAHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1 ZINC000003905105 571353185 /nfs/dbraw/zinc/35/31/85/571353185.db2.gz WOGIBMVWYMHAMU-HNNXBMFYSA-N -1 3 362.779 4.229 50 0 FIAAHM O=c1cc(C2CCCC2)nc(-c2cccc(CN3CCCC(F)(F)C3)c2)[n-]1 ZINC000023542093 1084606090 /nfs/dbraw/zinc/60/60/90/1084606090.db2.gz VBURJZYZCPHNDB-UHFFFAOYSA-N -1 3 373.447 4.326 50 0 FIAAHM O=C(CCCc1ccccc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000706710 219315445 /nfs/dbraw/zinc/31/54/45/219315445.db2.gz GPWDVJLXAABBSV-MAUKXSAKSA-N -1 3 368.399 4.039 50 0 FIAAHM O=S(=O)(c1cn[n-]c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001031945 219355023 /nfs/dbraw/zinc/35/50/23/219355023.db2.gz FOWBYBFUHLUNSF-UHFFFAOYSA-N -1 3 353.230 4.216 50 0 FIAAHM O=S(=O)(c1c[n-]nc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001031945 219355026 /nfs/dbraw/zinc/35/50/26/219355026.db2.gz FOWBYBFUHLUNSF-UHFFFAOYSA-N -1 3 353.230 4.216 50 0 FIAAHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccccc2)cc1Cl ZINC000001109668 219370303 /nfs/dbraw/zinc/37/03/03/219370303.db2.gz KGDAWECMBKHFBA-SNVBAGLBSA-N -1 3 360.262 4.042 50 0 FIAAHM O=C([C@@H]1CC(c2ccccc2[O-])=NO1)N(Cc1ccccc1)c1ccccc1 ZINC000001126390 219376234 /nfs/dbraw/zinc/37/62/34/219376234.db2.gz ZYIFLZQPJGAYSK-QFIPXVFZSA-N -1 3 372.424 4.119 50 0 FIAAHM Cc1ccc(NC(=O)Cc2nc(-c3ccc(O)cc3[O-])cs2)c(C)c1 ZINC000012902974 220041196 /nfs/dbraw/zinc/04/11/96/220041196.db2.gz AJCFVSGPVHOKGU-UHFFFAOYSA-N -1 3 354.431 4.019 50 0 FIAAHM O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1[O-] ZINC000012990652 220049169 /nfs/dbraw/zinc/04/91/69/220049169.db2.gz CJNGPIUYKTXYAK-UHFFFAOYSA-N -1 3 374.849 4.262 50 0 FIAAHM Cc1[nH]c2[n-]n(-c3ccccc3)c(=O)c2c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000018222476 220229927 /nfs/dbraw/zinc/22/99/27/220229927.db2.gz XVEYWTBQFMTGAM-UHFFFAOYSA-N -1 3 373.456 4.030 50 0 FIAAHM Cc1[nH]c2nn(-c3ccccc3)c([O-])c2c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000018222476 220229930 /nfs/dbraw/zinc/22/99/30/220229930.db2.gz XVEYWTBQFMTGAM-UHFFFAOYSA-N -1 3 373.456 4.030 50 0 FIAAHM COc1ccc(Cl)c2c(=O)c(CN3CCc4ccccc4C3)c(C)[n-]c12 ZINC000019793515 220296409 /nfs/dbraw/zinc/29/64/09/220296409.db2.gz LOALMYXLSWNXKB-UHFFFAOYSA-N -1 3 368.864 4.057 50 0 FIAAHM CC(C)=C1c2cc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)ccc2NC1=O ZINC000020577850 220335046 /nfs/dbraw/zinc/33/50/46/220335046.db2.gz KURYQKXCGXSPMA-UHFFFAOYSA-N -1 3 370.474 4.158 50 0 FIAAHM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[N-]c1nncs1 ZINC000021216128 220354799 /nfs/dbraw/zinc/35/47/99/220354799.db2.gz RFQPVALJKYGOCO-UHFFFAOYSA-N -1 3 370.381 4.241 50 0 FIAAHM Cc1c(C)n(-c2ccc(C)cc2)c2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000021801195 220367865 /nfs/dbraw/zinc/36/78/65/220367865.db2.gz XWBOOBNTDSANAR-UHFFFAOYSA-N -1 3 369.428 4.366 50 0 FIAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2cccc(F)c2)CC1 ZINC000053019179 221041363 /nfs/dbraw/zinc/04/13/63/221041363.db2.gz UIZAXLJSTOXRKW-UHFFFAOYSA-N -1 3 362.832 4.035 50 0 FIAAHM Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(C2CCC2)s1 ZINC000061717940 221134262 /nfs/dbraw/zinc/13/42/62/221134262.db2.gz SHZRKAKCWFMBBA-UHFFFAOYSA-N -1 3 356.476 4.490 50 0 FIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1 ZINC000063476074 221141862 /nfs/dbraw/zinc/14/18/62/221141862.db2.gz WGXRSOIBJDJREF-UHFFFAOYSA-N -1 3 358.463 4.107 50 0 FIAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)c2ccccc12 ZINC000071282999 221337875 /nfs/dbraw/zinc/33/78/75/221337875.db2.gz UKDIVENHIQYWCR-HNNXBMFYSA-N -1 3 351.406 4.043 50 0 FIAAHM 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CC(C)n1ccc(C(=O)[N-]c2nnc(-c3cc(Cl)sc3Cl)o2)n1 ZINC000036630128 571259616 /nfs/dbraw/zinc/25/96/16/571259616.db2.gz FDTTWYIKJNZXJP-UHFFFAOYSA-N -1 3 372.237 4.135 50 0 FIAAHM CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1[O-] ZINC000007886216 571290582 /nfs/dbraw/zinc/29/05/82/571290582.db2.gz PYCLPKLQYBGUPJ-SFHVURJKSA-N -1 3 358.825 4.173 50 0 FIAAHM COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccccn3)n2)cc1 ZINC000080341537 571329048 /nfs/dbraw/zinc/32/90/48/571329048.db2.gz XULKFEZPEXRKIL-SDNWHVSQSA-N -1 3 370.412 4.214 50 0 FIAAHM COc1ccccc1-c1cc(C(=O)[N-]c2nc(C(C)(C)C)cs2)no1 ZINC000030039202 571344959 /nfs/dbraw/zinc/34/49/59/571344959.db2.gz ZKUVWQNVQXMIHC-UHFFFAOYSA-N -1 3 357.435 4.357 50 0 FIAAHM COc1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(Cl)c1Cl ZINC000000639712 219307431 /nfs/dbraw/zinc/30/74/31/219307431.db2.gz VEVBYKJGQXNHMA-UHFFFAOYSA-N -1 3 364.294 4.171 50 0 FIAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cccc2cccnc21 ZINC000000799262 219322328 /nfs/dbraw/zinc/32/23/28/219322328.db2.gz HBISYNMZPORURO-UHFFFAOYSA-N -1 3 353.230 4.342 50 0 FIAAHM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000000992670 219351513 /nfs/dbraw/zinc/35/15/13/219351513.db2.gz NVLSNAHUBYLVIJ-UHFFFAOYSA-N -1 3 355.415 4.288 50 0 FIAAHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)c(Cl)c1Cl ZINC000000982642 219350188 /nfs/dbraw/zinc/35/01/88/219350188.db2.gz PRSPSRAMQOYJAD-JTQLQIEISA-N -1 3 360.262 4.042 50 0 FIAAHM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1cccc(Cl)c1Cl ZINC000010683111 219908406 /nfs/dbraw/zinc/90/84/06/219908406.db2.gz ZDGPWXBTAXUXHL-CQSZACIVSA-N -1 3 362.303 4.485 50 0 FIAAHM CCOc1cccc2cc(C(=O)[N-]c3nnc(-c4cccc(C)c4)o3)oc21 ZINC000012515889 220001336 /nfs/dbraw/zinc/00/13/36/220001336.db2.gz XTUBRCQPOAWPSD-UHFFFAOYSA-N -1 3 363.373 4.442 50 0 FIAAHM Cc1ccc(-n2ncc(C(=O)Nc3ccccc3[O-])c2C(F)(F)F)cc1 ZINC000012874292 220037603 /nfs/dbraw/zinc/03/76/03/220037603.db2.gz KRGYOYISVYJHCO-UHFFFAOYSA-N -1 3 361.323 4.157 50 0 FIAAHM O=C([N-]c1nnc(C2CC2)s1)c1cc2c(s1)-c1ccccc1CC2 ZINC000013011484 220054340 /nfs/dbraw/zinc/05/43/40/220054340.db2.gz DDHCRVUPOYXNIF-UHFFFAOYSA-N -1 3 353.472 4.495 50 0 FIAAHM Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1[O-] ZINC000013843300 220096858 /nfs/dbraw/zinc/09/68/58/220096858.db2.gz GQFWQYFFINNRTC-UHFFFAOYSA-N -1 3 366.442 4.196 50 0 FIAAHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)cc1 ZINC000014168366 220111696 /nfs/dbraw/zinc/11/16/96/220111696.db2.gz WUWNIJAMHDUPJG-UHFFFAOYSA-N -1 3 371.400 4.220 50 0 FIAAHM Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC000014168366 220111701 /nfs/dbraw/zinc/11/17/01/220111701.db2.gz WUWNIJAMHDUPJG-UHFFFAOYSA-N -1 3 371.400 4.220 50 0 FIAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000016129596 220178751 /nfs/dbraw/zinc/17/87/51/220178751.db2.gz OPPLRLKZOCRWLI-UHFFFAOYSA-N -1 3 353.724 4.299 50 0 FIAAHM Cc1ccc(-n2c(SCc3ccccc3C)nc3c2nc[n-]c3=O)cc1 ZINC000020394369 220325727 /nfs/dbraw/zinc/32/57/27/220325727.db2.gz XLYVFKTYHRRKDZ-UHFFFAOYSA-N -1 3 362.458 4.018 50 0 FIAAHM Cc1ccc2c(c1)-c1onc(C(=O)[N-]c3nc4ccccc4s3)c1CO2 ZINC000020509755 220331827 /nfs/dbraw/zinc/33/18/27/220331827.db2.gz VHYXJYPGMTVAPD-UHFFFAOYSA-N -1 3 363.398 4.404 50 0 FIAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2)o1 ZINC000021032246 220349590 /nfs/dbraw/zinc/34/95/90/220349590.db2.gz FHWAWNPGHWUYML-UHFFFAOYSA-N -1 3 366.801 4.243 50 0 FIAAHM CCCCN(Cc1ccccc1F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000055211768 221061865 /nfs/dbraw/zinc/06/18/65/221061865.db2.gz PLFRKRPJGDRJKS-UHFFFAOYSA-N -1 3 352.409 4.110 50 0 FIAAHM COc1cc(C(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1[O-] ZINC000055008577 221056152 /nfs/dbraw/zinc/05/61/52/221056152.db2.gz QXVWXZGTMHKLSF-UHFFFAOYSA-N -1 3 361.441 4.286 50 0 biogenic,in-vitro FIAAHM CSc1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)cc1 ZINC000067649166 221265463 /nfs/dbraw/zinc/26/54/63/221265463.db2.gz ZCSXHURTKHMRKX-UHFFFAOYSA-N -1 3 364.470 4.055 50 0 FIAAHM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000000943976 132379333 /nfs/dbraw/zinc/37/93/33/132379333.db2.gz NZPXIXSLSJBJIL-UHFFFAOYSA-N -1 3 350.871 4.131 50 0 FIAAHM CC(=O)c1cc(-c2nc(Cc3cccs3)nn2C2CCCCC2)n[n-]1 ZINC000096166227 222066734 /nfs/dbraw/zinc/06/67/34/222066734.db2.gz BPIAXABZBRZCDK-UHFFFAOYSA-N -1 3 355.467 4.028 50 0 FIAAHM CC(=O)c1cc(-c2nc(Cc3cccs3)nn2C2CCCCC2)[n-]n1 ZINC000096166227 222066736 /nfs/dbraw/zinc/06/67/36/222066736.db2.gz BPIAXABZBRZCDK-UHFFFAOYSA-N -1 3 355.467 4.028 50 0 FIAAHM CCc1nc2ccccc2n1Cc1nc(=O)c2cc(C(C)(C)C)sc2[n-]1 ZINC000097164492 222165877 /nfs/dbraw/zinc/16/58/77/222165877.db2.gz JRFKCARTSQRKQB-UHFFFAOYSA-N -1 3 366.490 4.243 50 0 FIAAHM O=c1c2ccccc2c2c([O-])nc(-c3ccccc3)n2n1Cc1ccccc1 ZINC000101751526 222281790 /nfs/dbraw/zinc/28/17/90/222281790.db2.gz ARCARMANEQRNDS-UHFFFAOYSA-N -1 3 367.408 4.070 50 0 FIAAHM O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3[N-][C@@H](c3ccccc3F)C12 ZINC000102749067 222306832 /nfs/dbraw/zinc/30/68/32/222306832.db2.gz FNBVKHWGJSTEKG-BTDLBPIBSA-N -1 3 366.352 4.431 50 0 FIAAHM CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=S)n1cc(C)cn1 ZINC000001120169 263142763 /nfs/dbraw/zinc/14/27/63/263142763.db2.gz ZUWRGDGBUUJRCX-UHFFFAOYSA-N -1 3 371.487 4.342 50 0 FIAAHM O=C(NC(=S)Nc1ccccc1[O-])C(c1ccccc1)c1ccccc1 ZINC000001182705 263143664 /nfs/dbraw/zinc/14/36/64/263143664.db2.gz HXBKEBGFWYNRBZ-UHFFFAOYSA-N -1 3 362.454 4.037 50 0 FIAAHM O=S(=O)([N-]CCc1ccc(-c2ccoc2)s1)c1ccc(Cl)s1 ZINC000390831475 568291984 /nfs/dbraw/zinc/29/19/84/568291984.db2.gz SBUWWYSZNWEZSB-UHFFFAOYSA-N -1 3 373.908 4.244 50 0 FIAAHM CC(C)C[N-]S(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1 ZINC000033297752 568484731 /nfs/dbraw/zinc/48/47/31/568484731.db2.gz ZKXWUYJRISUOBG-UHFFFAOYSA-N -1 3 358.554 4.004 50 0 FIAAHM O=S(=O)([N-]c1ccccc1Br)c1ccc2ccccc2c1 ZINC000001218634 570494442 /nfs/dbraw/zinc/49/44/42/570494442.db2.gz KARWSJXFAOMWLW-UHFFFAOYSA-N -1 3 362.248 4.403 50 0 FIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000003656752 570567110 /nfs/dbraw/zinc/56/71/10/570567110.db2.gz SBXFAGBYOQZAKG-UHFFFAOYSA-N 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570658465 /nfs/dbraw/zinc/65/84/65/570658465.db2.gz YKLNBEFFGRUSHC-NSHDSACASA-N -1 3 374.343 4.034 50 0 FIAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCC[C@@H]1Cc1ccccc1 ZINC000045800247 570912322 /nfs/dbraw/zinc/91/23/22/570912322.db2.gz PFTXKNVSEWWNJI-OAHLLOKOSA-N -1 3 356.520 4.334 50 0 FIAAHM COc1ccccc1O[C@H](C)C(=O)[N-]c1cc(-c2ccc(Cl)cc2)no1 ZINC000027662961 571017673 /nfs/dbraw/zinc/01/76/73/571017673.db2.gz HKZDXRVAQQKDFV-GFCCVEGCSA-N -1 3 372.808 4.410 50 0 FIAAHM COc1ccc2nc([N-]C(=O)c3cc(-c4ccccc4)on3)sc2c1 ZINC000027664321 571018213 /nfs/dbraw/zinc/01/82/13/571018213.db2.gz JASDAKGAQLYMJM-UHFFFAOYSA-N -1 3 351.387 4.212 50 0 FIAAHM CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(-c3ccco3)n[n-]2)c1C ZINC000084076869 571069922 /nfs/dbraw/zinc/06/99/22/571069922.db2.gz UTXTXBHNNWLVIQ-UHFFFAOYSA-N -1 3 352.390 4.155 50 0 FIAAHM CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(-c3ccco3)[n-]n2)c1C ZINC000084076869 571069925 /nfs/dbraw/zinc/06/99/25/571069925.db2.gz UTXTXBHNNWLVIQ-UHFFFAOYSA-N -1 3 352.390 4.155 50 0 FIAAHM O=S(=O)([N-]c1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000006083329 571118714 /nfs/dbraw/zinc/11/87/14/571118714.db2.gz VPRNWQHJZUSBLX-UHFFFAOYSA-N -1 3 364.623 4.042 50 0 FIAAHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000004679051 571158839 /nfs/dbraw/zinc/15/88/39/571158839.db2.gz GEAQBOJZZYTVNS-HNNXBMFYSA-N -1 3 362.779 4.373 50 0 FIAAHM CCCc1ccc(-c2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)cc1 ZINC000012551573 571179719 /nfs/dbraw/zinc/17/97/19/571179719.db2.gz SHPKOQLHULTUTO-UHFFFAOYSA-N -1 3 363.446 4.286 50 0 FIAAHM Cc1c2ccccc2oc1C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000047317868 571193113 /nfs/dbraw/zinc/19/31/13/571193113.db2.gz XYPAXINPGSVPLJ-UHFFFAOYSA-N -1 3 359.385 4.052 50 0 FIAAHM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072431186 571195670 /nfs/dbraw/zinc/19/56/70/571195670.db2.gz RHVOWNIPUKLGCD-INIZCTEOSA-N -1 3 373.815 4.428 50 0 FIAAHM Cc1ccc(C)c(C(=O)CSc2n[n-]c(COc3ccccc3C)n2)c1 ZINC000006683881 571240635 /nfs/dbraw/zinc/24/06/35/571240635.db2.gz IKZPYGKCIZTGKC-UHFFFAOYSA-N -1 3 367.474 4.284 50 0 FIAAHM CC1CCN(Cc2nc(=O)c3c(-c4ccccc4F)csc3[n-]2)CC1 ZINC000036203961 571245135 /nfs/dbraw/zinc/24/51/35/571245135.db2.gz MBGBHWBZADNVQH-UHFFFAOYSA-N -1 3 357.454 4.023 50 0 FIAAHM O=c1nc(CN2CCC[C@@H]3CCCC[C@H]32)[n-]c2scc(-c3ccco3)c21 ZINC000230039194 571340573 /nfs/dbraw/zinc/34/05/73/571340573.db2.gz VFHLDBRROGKFTK-DZGCQCFKSA-N -1 3 369.490 4.399 50 0 FIAAHM Cc1c([O-])ccc2c(CSc3nnc(-c4ccccc4)o3)cc(=O)oc12 ZINC000008234072 571360051 /nfs/dbraw/zinc/36/00/51/571360051.db2.gz SFQJMJBEAPNFAX-UHFFFAOYSA-N -1 3 366.398 4.149 50 0 FIAAHM CCOC(=O)C(=Cc1ccc(C)s1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005071048 1086507292 /nfs/dbraw/zinc/50/72/92/1086507292.db2.gz YESLDFNSUBVGDG-JYRVWZFOSA-N -1 3 374.487 4.075 50 0 FIAAHM O=C(Nc1cc(Br)ccc1[O-])c1cc(-c2ccccc2)on1 ZINC000000815017 219326040 /nfs/dbraw/zinc/32/60/40/219326040.db2.gz VSRHEXJEGAADRW-UHFFFAOYSA-N -1 3 359.179 4.062 50 0 FIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CCC4)c(C)c1 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