smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@](C)(CCO)NC(=O)Cc1ccc(O)c(O)c1 ZINC001137989991 1163841220 /nfs/dbraw/zinc/84/12/20/1163841220.db2.gz WQJZWBBLJKBDIC-CQSZACIVSA-N 0 0 267.325 1.308 10 10 CDCERN C[C@@H](NC(=O)c1ncccc1N)c1ccccc1O ZINC001632250639 1166340154 /nfs/dbraw/zinc/34/01/54/1166340154.db2.gz ZSTJHKCPSBACJB-SECBINFHSA-N 0 0 257.293 1.860 10 10 CDCERN COCCC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001638153435 1166825076 /nfs/dbraw/zinc/82/50/76/1166825076.db2.gz ZQJJTERYYPEYQQ-UHFFFAOYSA-N 0 0 279.336 1.525 10 10 CDCERN Cn1nnc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001640807730 1167051802 /nfs/dbraw/zinc/05/18/02/1167051802.db2.gz VQOVCKRVMAPFFV-UHFFFAOYSA-N 0 0 291.292 1.088 10 10 CDCERN CN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404437 895832960 /nfs/dbraw/zinc/83/29/60/895832960.db2.gz RQAOVNBSXYKGRP-SMYYYNMVSA-N 0 0 277.320 1.748 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1c(F)ccnc1F ZINC001176565736 914181598 /nfs/dbraw/zinc/18/15/98/914181598.db2.gz OLUBYEVUDSGORM-UHFFFAOYSA-N 0 0 280.230 1.701 10 10 CDCERN Nc1nc(Cl)ccc1C(=O)NCc1cccc(O)c1O ZINC001176566470 914183568 /nfs/dbraw/zinc/18/35/68/914183568.db2.gz XUNYBVMZSCXGHL-UHFFFAOYSA-N 0 0 293.710 1.658 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cnc2n[nH]cc2c1 ZINC001176754367 914258300 /nfs/dbraw/zinc/25/83/00/914258300.db2.gz BKIRXQYODLWPPA-UHFFFAOYSA-N 0 0 284.275 1.299 10 10 CDCERN C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2c(O)cccc2O)O1 ZINC001178912419 915685535 /nfs/dbraw/zinc/68/55/35/915685535.db2.gz TVJFCXNOAFTWFF-IGJMFERPSA-N 0 0 265.309 1.528 10 10 CDCERN CCN1CC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC001545683859 926782138 /nfs/dbraw/zinc/78/21/38/926782138.db2.gz CJFKDDZZYCTDFF-NSHDSACASA-N 0 0 264.325 1.111 10 10 CDCERN Nc1ccc(NC(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000691711797 937220380 /nfs/dbraw/zinc/22/03/80/937220380.db2.gz ABLVILFNLXMJDK-STQMWFEESA-N 0 0 261.325 1.958 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@]2(O)C[C@H]2C1 ZINC001147427213 932495409 /nfs/dbraw/zinc/49/54/09/932495409.db2.gz DJZGQZIPASPKRH-ZUXORNLVSA-N 0 0 275.304 1.094 10 10 CDCERN Cc1ccc(O)c(CNC(=O)/C=C/c2ccncn2)c1 ZINC001147956714 932637816 /nfs/dbraw/zinc/63/78/16/932637816.db2.gz IWUNMPLUTYODES-HWKANZROSA-N 0 0 269.304 1.820 10 10 CDCERN Cn1nccc1C(=O)NCc1cc(Cl)ccc1O ZINC001165499067 939566984 /nfs/dbraw/zinc/56/69/84/939566984.db2.gz UXPZBMIHOKGVML-UHFFFAOYSA-N 0 0 265.700 1.709 10 10 CDCERN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001263894852 944024371 /nfs/dbraw/zinc/02/43/71/944024371.db2.gz XYPMADBJWZGDGZ-QMMMGPOBSA-N 0 0 289.335 1.858 10 10 CDCERN O=C(NCc1cccc(O)c1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001263896139 944024380 /nfs/dbraw/zinc/02/43/80/944024380.db2.gz PRZADYXQFIQZRG-SKZKVKIVSA-N 0 0 275.304 1.137 10 10 CDCERN Cn1ncc2cc(C(=O)NCc3ccc(O)cc3O)cnc21 ZINC001299572163 945556086 /nfs/dbraw/zinc/55/60/86/945556086.db2.gz DAMXJNKPEUTGNF-UHFFFAOYSA-N 0 0 298.302 1.310 10 10 CDCERN O=C(COCc1ccncc1)N1Cc2cccc(O)c2C1 ZINC001261887257 946318744 /nfs/dbraw/zinc/31/87/44/946318744.db2.gz CDWSXERICFBMTF-UHFFFAOYSA-N 0 0 284.315 1.846 10 10 CDCERN O=C(c1cccc(O)c1O)N1CCOc2ccncc21 ZINC001556756796 965097368 /nfs/dbraw/zinc/09/73/68/965097368.db2.gz BXRUIOLLDGEQHL-UHFFFAOYSA-N 0 0 272.260 1.532 10 10 CDCERN Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)nc1C ZINC001556956441 965123651 /nfs/dbraw/zinc/12/36/51/965123651.db2.gz JBUQXMSOBBRFDC-UHFFFAOYSA-N 0 0 286.331 1.969 10 10 CDCERN CN(C)c1ccnc(C(=O)NCc2ccc(O)cc2O)c1 ZINC001557084734 965141417 /nfs/dbraw/zinc/14/14/17/965141417.db2.gz MHOKDZFXZUOTRT-UHFFFAOYSA-N 0 0 287.319 1.489 10 10 CDCERN O=C(NCc1cccc(O)c1O)C(=O)c1ccc(O)cc1 ZINC001558160892 965239180 /nfs/dbraw/zinc/23/91/80/965239180.db2.gz BXQRPBLKRMARBP-UHFFFAOYSA-N 0 0 287.271 1.303 10 10 CDCERN C[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CCC1=O ZINC001347540840 965580233 /nfs/dbraw/zinc/58/02/33/965580233.db2.gz CHXHDHKFKGOGLX-UWVGGRQHSA-N 0 0 277.320 1.719 10 10 CDCERN C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCCOC1 ZINC001446907418 966656401 /nfs/dbraw/zinc/65/64/01/966656401.db2.gz SWVVXTRJUYBBFH-CQSZACIVSA-N 0 0 265.309 1.326 10 10 CDCERN CCOC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001544614640 967371712 /nfs/dbraw/zinc/37/17/12/967371712.db2.gz PCTPSVILYWRLMH-UHFFFAOYSA-N 0 0 295.316 1.605 10 10 CDCERN Cc1cnccc1C(=O)NCc1cccc(O)c1O ZINC001455315445 968678065 /nfs/dbraw/zinc/67/80/65/968678065.db2.gz JXKPBZZTZOBAFF-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN C[C@H]1CSCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001456947876 969080910 /nfs/dbraw/zinc/08/09/10/969080910.db2.gz AQTMAHWGCXBEHV-JTQLQIEISA-N 0 0 281.377 1.994 10 10 CDCERN C/C(=C/C(=O)N(C)c1ccc(C(N)=O)cc1)c1cnccn1 ZINC001358230014 969710983 /nfs/dbraw/zinc/71/09/83/969710983.db2.gz WWGRTGIMMLXPAY-LUAWRHEFSA-N 0 0 296.330 1.642 10 10 CDCERN COc1cccc(CNC(=O)c2nccnc2C)c1O ZINC001465991392 969912665 /nfs/dbraw/zinc/91/26/65/969912665.db2.gz CXMWSAZJLVOHKK-UHFFFAOYSA-N 0 0 273.292 1.429 10 10 CDCERN COC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)c[nH]1 ZINC001469159057 970227466 /nfs/dbraw/zinc/22/74/66/970227466.db2.gz JVPIEFXKSHOGPB-UHFFFAOYSA-N 0 0 290.275 1.143 10 10 CDCERN CC(C)CC(=O)NCCC(=O)NCc1cccc(O)c1O ZINC001521852306 970365935 /nfs/dbraw/zinc/36/59/35/970365935.db2.gz UNDMBLZTEJYYSG-UHFFFAOYSA-N 0 0 294.351 1.266 10 10 CDCERN C[C@H](NC(=O)c1cccc(=O)[nH]1)c1ccccc1O ZINC001471194190 970403391 /nfs/dbraw/zinc/40/33/91/970403391.db2.gz FEMGAYHBSYOWKT-VIFPVBQESA-N 0 0 258.277 1.984 10 10 CDCERN O=C(c1cn2cccnc2n1)N1Cc2cccc(O)c2C1 ZINC001471355571 970416035 /nfs/dbraw/zinc/41/60/35/970416035.db2.gz LRIUDIILZHKMFC-UHFFFAOYSA-N 0 0 280.287 1.591 10 10 CDCERN Cc1cc(Sc2nccs2)nc(S(C)(=O)=O)n1 ZINC001472666317 970684810 /nfs/dbraw/zinc/68/48/10/970684810.db2.gz IIGRMZBXTFIXJA-UHFFFAOYSA-N 0 0 287.391 1.796 10 10 CDCERN Cc1ncoc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001653322675 1171536521 /nfs/dbraw/zinc/53/65/21/1171536521.db2.gz DNOTXMWLLULHSF-UHFFFAOYSA-N 0 0 262.265 1.253 10 10 CDCERN COC(=O)c1ccnc(Sc2nccs2)n1 ZINC001655011110 1171659089 /nfs/dbraw/zinc/65/90/89/1171659089.db2.gz YYRZHJBTQIWDBO-UHFFFAOYSA-N 0 0 253.308 1.871 10 10 CDCERN CCC(=O)NC(NC(=O)CC)c1ccc(N(C)C)cc1 ZINC000584647754 346388218 /nfs/dbraw/zinc/38/82/18/346388218.db2.gz FIIQIDFDEAVFPB-UHFFFAOYSA-N 0 0 277.368 1.804 10 10 CDCERN O=C1CS[C@@H](c2ccccc2O)N1c1ncccn1 ZINC000090659990 180018712 /nfs/dbraw/zinc/01/87/12/180018712.db2.gz QGBBRXYBCGYINV-LBPRGKRZSA-N 0 0 273.317 1.961 10 10 CDCERN COCCC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000296204215 371660107 /nfs/dbraw/zinc/66/01/07/371660107.db2.gz VJBMQPWXIZXRBL-UHFFFAOYSA-N 0 0 283.299 1.736 10 10 CDCERN CC(C)(C)C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 ZINC000040515607 378261342 /nfs/dbraw/zinc/26/13/42/378261342.db2.gz XCYYULOEVHLRCC-UHFFFAOYSA-N 0 0 289.379 1.285 10 10 CDCERN CN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2[O-])C1=O ZINC000295397966 378672865 /nfs/dbraw/zinc/67/28/65/378672865.db2.gz QJYMPIWYZBEANS-NSHDSACASA-N 0 0 286.734 1.847 10 10 CDCERN CCCCC(CCCC)NC=C1C(=O)NC(=S)NC1=O ZINC000059378009 379321543 /nfs/dbraw/zinc/32/15/43/379321543.db2.gz UIOBHCVPMOLAOD-UHFFFAOYSA-N 0 0 297.424 1.740 10 10 CDCERN Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)c(O)c1O ZINC000182493693 391236141 /nfs/dbraw/zinc/23/61/41/391236141.db2.gz BTSHLKWYWYBPCZ-ZYHUDNBSSA-N 0 0 279.336 1.687 10 10 CDCERN Cc1ccc(C(=O)N(C)C[C@@H]2CCCO2)c(O)c1O ZINC000179473117 391207582 /nfs/dbraw/zinc/20/75/82/391207582.db2.gz CVFLNWGFYNSKOY-JTQLQIEISA-N 0 0 265.309 1.657 10 10 CDCERN Cn1cc(C(=O)C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001583816558 1172782975 /nfs/dbraw/zinc/78/29/75/1172782975.db2.gz JXDCHBOEDFCXQO-UHFFFAOYSA-N 0 0 293.710 1.278 10 10 CDCERN CCCS(=O)(=O)CCCOc1ccc(N)cc1 ZINC000035320461 172123279 /nfs/dbraw/zinc/12/32/79/172123279.db2.gz GCWMLXGZRNQZNJ-UHFFFAOYSA-N 0 0 257.355 1.863 10 10 CDCERN CC[C@@H](C)S(=O)(=O)CCOc1ccc(N)cc1 ZINC000035320081 172123509 /nfs/dbraw/zinc/12/35/09/172123509.db2.gz GJMMPFJEPJZWAC-SNVBAGLBSA-N 0 0 257.355 1.861 10 10 CDCERN CN(C)c1ccc(CN(C)C(=O)c2ccnnc2)cc1 ZINC000153637495 261081317 /nfs/dbraw/zinc/08/13/17/261081317.db2.gz QPMXXEVKHZXSDV-UHFFFAOYSA-N 0 0 270.336 1.815 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@]2(C1)CCCOC2 ZINC000367648716 267106418 /nfs/dbraw/zinc/10/64/18/267106418.db2.gz LJFVPCXXOZNJJZ-HNNXBMFYSA-N 0 0 277.320 1.741 10 10 CDCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527757456 281177913 /nfs/dbraw/zinc/17/79/13/281177913.db2.gz PWOJKVWXZPDLJB-RYUDHWBXSA-N 0 0 289.734 1.814 10 10 CDCERN CC(=O)N1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000271167020 482832979 /nfs/dbraw/zinc/83/29/79/482832979.db2.gz GAOIDPXARZORCC-LBPRGKRZSA-N 0 0 293.386 1.944 10 10 CDCERN COc1c(C)c2c([nH]c1=O)C(=O)c1ccccc1C2=O ZINC000014586981 560222521 /nfs/dbraw/zinc/22/25/21/560222521.db2.gz AZTABGJRYQJTCL-UHFFFAOYSA-N 0 0 269.256 1.467 10 10 biogenic,in-vitro CDCERN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(O)c1O ZINC000754674238 575057104 /nfs/dbraw/zinc/05/71/04/575057104.db2.gz DTAOBFUOARYERS-UHFFFAOYSA-N 0 0 290.231 1.964 10 10 CDCERN CCN(C)c1ccc(CN2CCOC[C@H]2CCO)cc1 ZINC000773824250 575839766 /nfs/dbraw/zinc/83/97/66/575839766.db2.gz UGESCCOZVVHQQW-MRXNPFEDSA-N 0 0 278.396 1.726 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCOC[C@@H]1C ZINC000768197144 576263638 /nfs/dbraw/zinc/26/36/38/576263638.db2.gz OWNHKFZSWPQOJF-LOWVWBTDSA-N 0 0 293.363 1.818 10 10 CDCERN CN(Cc1ccccc1O)C(=O)/C=C/c1cnccn1 ZINC000769282118 576342427 /nfs/dbraw/zinc/34/24/27/576342427.db2.gz KJQXLANJSSPILK-VOTSOKGWSA-N 0 0 269.304 1.854 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CSC(=O)N2)c1 ZINC000740750767 576514186 /nfs/dbraw/zinc/51/41/86/576514186.db2.gz NYWKYPBYKFWUHT-GMSGAONNSA-N 0 0 296.348 1.403 10 10 CDCERN O=C(CCOCC1CC1)NCCc1ccc(O)c(O)c1 ZINC000762267984 576636025 /nfs/dbraw/zinc/63/60/25/576636025.db2.gz XRPXCYBYTRXFPC-UHFFFAOYSA-N 0 0 279.336 1.573 10 10 CDCERN COc1cccc(CNC(=O)c2nc(C)ns2)c1O ZINC000763256640 576726685 /nfs/dbraw/zinc/72/66/85/576726685.db2.gz GKXLOBRFWFYQGV-UHFFFAOYSA-N 0 0 279.321 1.491 10 10 CDCERN COC(=O)[C@@H]1CN(Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840914109 617648459 /nfs/dbraw/zinc/64/84/59/617648459.db2.gz NZUNOJOEGSNYAA-ZDUSSCGKSA-N 0 0 299.754 1.728 10 10 CDCERN O=C(OC[C@H]1CCC2(COC2)O1)c1cccc(O)c1O ZINC000922620712 618311850 /nfs/dbraw/zinc/31/18/50/618311850.db2.gz WXTPKXVQHBLZAS-SECBINFHSA-N 0 0 280.276 1.203 10 10 CDCERN COc1ccc(O)c([C@H](C)NC(=O)c2cnnc(C)c2)c1 ZINC000787132295 618370807 /nfs/dbraw/zinc/37/08/07/618370807.db2.gz YBDDSHZBHYMIOK-JTQLQIEISA-N 0 0 287.319 1.990 10 10 CDCERN [O-]c1c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)ccc(F)c1F ZINC000895749512 619819972 /nfs/dbraw/zinc/81/99/72/619819972.db2.gz SEXXMQYKCUYGMC-QWRGUYRKSA-N 0 0 287.306 1.690 10 10 CDCERN C[C@H](O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897057101 620361794 /nfs/dbraw/zinc/36/17/94/620361794.db2.gz SIAROJBHMXTJSD-ZETCQYMHSA-N 0 0 281.333 1.813 10 10 CDCERN C[C@H](O)CCN1CCOc2cc(N(C)C)ccc21 ZINC000798196676 620590952 /nfs/dbraw/zinc/59/09/52/620590952.db2.gz OZBURLWSEKLMDN-NSHDSACASA-N 0 0 250.342 1.722 10 10 CDCERN CN(C)c1ccc(CN(C)C(=O)c2n[nH]cc2F)cc1 ZINC000900025672 622656872 /nfs/dbraw/zinc/65/68/72/622656872.db2.gz DUZOPWVTSLSXIG-UHFFFAOYSA-N 0 0 276.315 1.887 10 10 CDCERN C[C@@H]1CO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901133353 623891655 /nfs/dbraw/zinc/89/16/55/623891655.db2.gz WTWTYVSZFXLKEB-UFBFGSQYSA-N 0 0 251.282 1.139 10 10 CDCERN O=C(NC[C@@H]1COCO1)c1cc2cc(O)c(O)cc2s1 ZINC000910296460 629005626 /nfs/dbraw/zinc/00/56/26/629005626.db2.gz NMAXIXFEYQFJFS-MRVPVSSYSA-N 0 0 295.316 1.415 10 10 CDCERN O=C(NCc1ccc(O)cc1O)C1(C(F)F)CC1 ZINC000910943576 629125199 /nfs/dbraw/zinc/12/51/99/629125199.db2.gz DZORMIMGXWDSLD-UHFFFAOYSA-N 0 0 257.236 1.759 10 10 CDCERN Cc1ccc(C(=O)NCC(C)(C)n2ccnc2)c(O)c1O ZINC000912614455 630106013 /nfs/dbraw/zinc/10/60/13/630106013.db2.gz ALWMTWMDJKOPEX-UHFFFAOYSA-N 0 0 289.335 1.768 10 10 CDCERN CN1C[C@@H](CCNC(=O)NCc2ccccc2O)CC1=O ZINC000915516517 631756803 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C[C@@]1(NC(=O)Cc2ccc(O)c(O)c2)CCO[C@@H]1C1CC1 ZINC001556166602 965006568 /nfs/dbraw/zinc/00/65/68/965006568.db2.gz JKKPXDYHFWAKMI-HZPDHXFCSA-N 0 0 291.347 1.714 10 10 CDCERN CC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)o1 ZINC001557085087 965143360 /nfs/dbraw/zinc/14/33/60/965143360.db2.gz BCFFXPGMYCKOAQ-UHFFFAOYSA-N 0 0 275.260 1.823 10 10 CDCERN CC[C@@H]1C[C@@H](C(=O)NCc2cc(O)ccc2O)CCO1 ZINC001558175572 965244871 /nfs/dbraw/zinc/24/48/71/965244871.db2.gz WFZARHSTXOQICM-GXFFZTMASA-N 0 0 279.336 1.919 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@H]1CCCC12OCCO2 ZINC001558175627 965245726 /nfs/dbraw/zinc/24/57/26/965245726.db2.gz YJTHJGXIAKFWJQ-GFCCVEGCSA-N 0 0 293.319 1.257 10 10 CDCERN O=C(CCOCC(F)F)NCc1c(O)cccc1O ZINC001558534159 965310312 /nfs/dbraw/zinc/31/03/12/965310312.db2.gz OLWGDWNHOIQXIE-UHFFFAOYSA-N 0 0 275.251 1.386 10 10 CDCERN C[C@H](NC(=O)c1cnn2c1NCCC2)c1ccccc1O ZINC001347189780 965412347 /nfs/dbraw/zinc/41/23/47/965412347.db2.gz GYCALOQRVIJTLF-JTQLQIEISA-N 0 0 286.335 1.895 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2CO)cc1 ZINC001540772742 967170541 /nfs/dbraw/zinc/17/05/41/967170541.db2.gz JXOALCYXKGUWOX-LBPRGKRZSA-N 0 0 290.323 1.836 10 10 CDCERN CN(Cc1ccccc1O)C(=O)c1ccc(C=O)n1C ZINC001545503316 967426178 /nfs/dbraw/zinc/42/61/78/967426178.db2.gz WDVAMGQRTJERLJ-UHFFFAOYSA-N 0 0 272.304 1.815 10 10 CDCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)[C@H]1O ZINC001453112114 968243658 /nfs/dbraw/zinc/24/36/58/968243658.db2.gz KEKPJAUZEWPYTI-RTUWITSCSA-N 0 0 279.336 1.116 10 10 CDCERN O=C(C1=CS(=O)(=O)CCC1)N1Cc2cccc(O)c2C1 ZINC001455037342 968599165 /nfs/dbraw/zinc/59/91/65/968599165.db2.gz PUIUHTNGENTVTD-UHFFFAOYSA-N 0 0 293.344 1.327 10 10 CDCERN O=C(CC[C@@H]1CCCO1)NCc1cc(O)ccc1O ZINC001455356205 968689921 /nfs/dbraw/zinc/68/99/21/968689921.db2.gz HTTWPMFAWJANJW-LBPRGKRZSA-N 0 0 265.309 1.673 10 10 CDCERN C[C@H](C(=O)NCc1c(O)cccc1O)[C@H]1CCCO1 ZINC001456315852 968934271 /nfs/dbraw/zinc/93/42/71/968934271.db2.gz MCYNKDULAVHLTN-TVQRCGJNSA-N 0 0 265.309 1.529 10 10 CDCERN CC(C)C[C@@H](CCO)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001465851515 969901191 /nfs/dbraw/zinc/90/11/91/969901191.db2.gz WEJIUYFGPCSPQE-CYBMUJFWSA-N 0 0 295.379 1.801 10 10 CDCERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC001465954195 969908391 /nfs/dbraw/zinc/90/83/91/969908391.db2.gz NMZRONZFYYFPSN-SMDDNHRTSA-N 0 0 295.335 1.156 10 10 CDCERN O=C(Cc1nnc(C2CC2)[nH]1)NCc1ccccc1O ZINC001465990704 969910975 /nfs/dbraw/zinc/91/09/75/969910975.db2.gz OYBJUJAITBWQTK-UHFFFAOYSA-N 0 0 272.308 1.247 10 10 CDCERN Nc1cc(F)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001465981327 969911748 /nfs/dbraw/zinc/91/17/48/969911748.db2.gz JWYQJHBSPFEHRX-UHFFFAOYSA-N 0 0 290.294 1.792 10 10 CDCERN COc1cccc(CNC(=O)Cc2cscn2)c1O ZINC001465992784 969912447 /nfs/dbraw/zinc/91/24/47/969912447.db2.gz MLJJJWRCBCGTJP-UHFFFAOYSA-N 0 0 278.333 1.716 10 10 CDCERN O=C(Nc1c2nonc2ccc1Cl)c1cccnn1 ZINC001520359807 970176329 /nfs/dbraw/zinc/17/63/29/970176329.db2.gz WQZUTXBJFJLDRL-UHFFFAOYSA-N 0 0 275.655 1.919 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCN(CCCF)CC1 ZINC001469346631 970243009 /nfs/dbraw/zinc/24/30/09/970243009.db2.gz SKANRGLHHGDMDP-UHFFFAOYSA-N 0 0 296.342 1.144 10 10 CDCERN C[C@H](NC(=O)c1cnn(CCO)c1)c1ccccc1O ZINC001521806699 970358961 /nfs/dbraw/zinc/35/89/61/970358961.db2.gz GWNUJUYGNYXXOP-JTQLQIEISA-N 0 0 275.308 1.072 10 10 CDCERN CC1(C)OC[C@H]2C[C@]21C(=O)NCc1c(O)cccc1O ZINC001472063343 970558208 /nfs/dbraw/zinc/55/82/08/970558208.db2.gz IGDJLRWZWZJKAN-RFAUZJTJSA-N 0 0 277.320 1.529 10 10 CDCERN Cc1noc(C2CN(C(=O)c3c(F)ccc(O)c3O)C2)n1 ZINC001472556222 970662775 /nfs/dbraw/zinc/66/27/75/970662775.db2.gz HAUPVJYNGQCBTO-UHFFFAOYSA-N 0 0 293.254 1.168 10 10 CDCERN COC(=O)c1nccc(NCc2c(O)cccc2F)n1 ZINC001472883201 970720721 /nfs/dbraw/zinc/72/07/21/970720721.db2.gz JLZIVMRQAAPWNK-UHFFFAOYSA-N 0 0 277.255 1.142 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCCC1(O)CCC1 ZINC001570427618 1170154885 /nfs/dbraw/zinc/15/48/85/1170154885.db2.gz FRGAFGPCQBADNE-UHFFFAOYSA-N 0 0 279.336 1.452 10 10 CDCERN COC(=O)CC1=NN(c2ccccc2)C(=O)C1C(C)=O ZINC000584904562 342493556 /nfs/dbraw/zinc/49/35/56/342493556.db2.gz XGFGKUFFRWBNER-LCYFTJDESA-N 0 0 274.276 1.784 10 10 CDCERN CN(CC1CC1)S(=O)(=O)Cc1ccc(N)cc1 ZINC000037924858 359776007 /nfs/dbraw/zinc/77/60/07/359776007.db2.gz GAZWSARZLTYMCK-UHFFFAOYSA-N 0 0 254.355 1.440 10 10 CDCERN Nc1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)c1 ZINC000003152404 283674692 /nfs/dbraw/zinc/67/46/92/283674692.db2.gz VXOVDLIFLAUDDK-UHFFFAOYSA-N 0 0 294.314 1.749 10 10 CDCERN COc1ccc(O)c(CNC(=O)Cn2cncc2C)c1 ZINC000528861935 368012485 /nfs/dbraw/zinc/01/24/85/368012485.db2.gz LBZHAOKOPWYELN-UHFFFAOYSA-N 0 0 275.308 1.222 10 10 CDCERN CC(C)[C@@H](O)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000154447461 261091646 /nfs/dbraw/zinc/09/16/46/261091646.db2.gz QRFBJQCSORMICT-AWEZNQCLSA-N 0 0 264.369 1.776 10 10 CDCERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(O)c1O ZINC000248751639 377322648 /nfs/dbraw/zinc/32/26/48/377322648.db2.gz OSZQJQOKOGLODY-NDMJEZRESA-N 0 0 277.320 1.785 10 10 CDCERN COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cccc(C)c1O ZINC000249767940 377473199 /nfs/dbraw/zinc/47/31/99/377473199.db2.gz IVAHTKZRHHRRHQ-OLZOCXBDSA-N 0 0 279.336 1.199 10 10 CDCERN C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccccc1O ZINC001587447678 1172985788 /nfs/dbraw/zinc/98/57/88/1172985788.db2.gz XSCFHRAWFRJJLX-MRVPVSSYSA-N 0 0 273.292 1.310 10 10 CDCERN CC1(C)OC(=O)C(Cc2ccc(O)c(O)c2)C(=O)O1 ZINC000020414085 171183467 /nfs/dbraw/zinc/18/34/67/171183467.db2.gz SDEXSWYYDFIWID-UHFFFAOYSA-N 0 0 266.249 1.093 10 10 CDCERN CCC[C@@H]1NC(=O)N(CCc2ccc(N)cc2)C1=O ZINC000035677236 172348167 /nfs/dbraw/zinc/34/81/67/172348167.db2.gz WFDDLBJVFZTLBJ-LBPRGKRZSA-N 0 0 261.325 1.532 10 10 CDCERN Nc1ccc(CCNc2nccn(C3CC3)c2=O)cc1 ZINC000061768897 262401194 /nfs/dbraw/zinc/40/11/94/262401194.db2.gz MUEDZGJNBUCJLL-UHFFFAOYSA-N 0 0 270.336 1.815 10 10 CDCERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000272536225 263006070 /nfs/dbraw/zinc/00/60/70/263006070.db2.gz BEODKUDJCUEPEK-SECBINFHSA-N 0 0 279.292 1.041 10 10 CDCERN Cc1cn2c(n1)CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000378623695 329056837 /nfs/dbraw/zinc/05/68/37/329056837.db2.gz PZEIKIUMSWWEIH-UHFFFAOYSA-N 0 0 287.319 1.642 10 10 CDCERN CNC(=O)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000398477762 1160109236 /nfs/dbraw/zinc/10/92/36/1160109236.db2.gz UORWTUWYUOCVNT-JTQLQIEISA-N 0 0 252.289 1.099 10 10 CDCERN CCN(CCOC)c1cc2c(cc1N)NC(=O)CC2 ZINC000049010591 521138903 /nfs/dbraw/zinc/13/89/03/521138903.db2.gz RNLHBZAPTKUYTF-UHFFFAOYSA-N 0 0 263.341 1.626 10 10 CDCERN COC[C@@H]1CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000297403301 522479241 /nfs/dbraw/zinc/47/92/41/522479241.db2.gz XTUPBLYOCFLXQN-LBPRGKRZSA-N 0 0 295.358 1.822 10 10 CDCERN COC(=O)[C@@H](CF)NCc1cccc(OC)c1O ZINC000290548966 523577457 /nfs/dbraw/zinc/57/74/57/523577457.db2.gz RSDKRDNKZYXNDF-SECBINFHSA-N 0 0 257.261 1.002 10 10 CDCERN Cc1nnc([C@H](C)NC(=O)NCc2cc(C)ccc2O)o1 ZINC001685737031 1174685405 /nfs/dbraw/zinc/68/54/05/1174685405.db2.gz GTHKYHQTKODPAP-VIFPVBQESA-N 0 0 290.323 1.952 10 10 CDCERN CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CCO)c1O ZINC000767588798 576208181 /nfs/dbraw/zinc/20/81/81/576208181.db2.gz NSBYNPLNWJJXGF-ZDUSSCGKSA-N 0 0 297.326 1.317 10 10 CDCERN CCc1nnc(COC(=O)c2cccc(O)c2O)s1 ZINC000758572675 577118720 /nfs/dbraw/zinc/11/87/20/577118720.db2.gz MBOUXVHENSMAIU-UHFFFAOYSA-N 0 0 280.305 1.869 10 10 CDCERN CCC(C)(C)NC(=O)COC(=O)c1cccc(O)c1O ZINC000758571062 577118756 /nfs/dbraw/zinc/11/87/56/577118756.db2.gz BVWGBOODTPQIER-UHFFFAOYSA-N 0 0 281.308 1.559 10 10 CDCERN COc1cccc(CNC(=O)NCC[C@H]2CCOC2)c1O ZINC000753377575 577164351 /nfs/dbraw/zinc/16/43/51/577164351.db2.gz JNHDMPOIURCYQU-NSHDSACASA-N 0 0 294.351 1.627 10 10 CDCERN O=C(N[C@@H](CO)c1ccsc1)C1=CC(=O)CS1 ZINC000807261971 617323703 /nfs/dbraw/zinc/32/37/03/617323703.db2.gz IMMMFEGYOFWZQX-VIFPVBQESA-N 0 0 269.347 1.979 10 10 CDCERN C[C@H](O)C(=O)NCc1cc(Br)ccc1O ZINC000804740856 617326087 /nfs/dbraw/zinc/32/60/87/617326087.db2.gz NDSNUOJQQVCNKL-LURJTMIESA-N 0 0 274.114 1.152 10 10 CDCERN C[C@@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CF)C1=O ZINC000806672506 617334196 /nfs/dbraw/zinc/33/41/96/617334196.db2.gz DQFKJHZBEGHQHX-CABZTGNLSA-N 0 0 279.315 1.704 10 10 CDCERN O=C(NCc1c(O)cccc1F)NOCC1CC1 ZINC000922602351 618296346 /nfs/dbraw/zinc/29/63/46/618296346.db2.gz CHFCREXMRJNTLR-UHFFFAOYSA-N 0 0 254.261 1.672 10 10 CDCERN Cc1cc(N(C)C)ccc1CNC(=O)/C=C\Cn1cncn1 ZINC000900733357 623428561 /nfs/dbraw/zinc/42/85/61/623428561.db2.gz UKRSBGUFYYCWMF-PLNGDYQASA-N 0 0 299.378 1.525 10 10 CDCERN C[C@H](NC(=O)NCc1c(O)cccc1F)c1nncn1C ZINC000905146863 626658291 /nfs/dbraw/zinc/65/82/91/626658291.db2.gz DUROSBMPOMTFHK-QMMMGPOBSA-N 0 0 293.302 1.220 10 10 CDCERN COc1ccc(N2CC[C@@H](CNC(=O)CCF)C2)cc1 ZINC000911277452 629221045 /nfs/dbraw/zinc/22/10/45/629221045.db2.gz VDTDTHMVWYVENZ-LBPRGKRZSA-N 0 0 280.343 1.997 10 10 CDCERN Cc1ccc(C(=O)N2C[C@@H]3CSC[C@@H]3C2)c(O)c1O ZINC000924001512 631452000 /nfs/dbraw/zinc/45/20/00/631452000.db2.gz SHPAOLSINXQDFG-AOOOYVTPSA-N 0 0 279.361 1.841 10 10 CDCERN CC(=O)C(=O)COC(=O)Cc1csc(C(C)(C)C)n1 ZINC000808511889 1162867716 /nfs/dbraw/zinc/86/77/16/1162867716.db2.gz CUIOXQJCNVZNAV-UHFFFAOYSA-N 0 0 283.349 1.684 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](F)[C@@H](F)C1 ZINC001624647425 1165856355 /nfs/dbraw/zinc/85/63/55/1165856355.db2.gz CXZUYUVCPDWUMO-DTORHVGOSA-N 0 0 257.236 1.159 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)CC2CC2)cc1 ZINC001626672608 1165951696 /nfs/dbraw/zinc/95/16/96/1165951696.db2.gz CTTIDJJETFVJHO-GFCCVEGCSA-N 0 0 290.323 1.740 10 10 CDCERN Cc1ccc(C(=O)NCc2ccc(O)cc2O)nn1 ZINC001626850354 1165962701 /nfs/dbraw/zinc/96/27/01/1165962701.db2.gz UIPOICBXWGVEAH-UHFFFAOYSA-N 0 0 259.265 1.126 10 10 CDCERN Cc1ccc(C(=O)N[C@@H](CO)c2cccnc2)c(O)c1O ZINC001630306510 1166198645 /nfs/dbraw/zinc/19/86/45/1166198645.db2.gz FEQIHKBIVFMZRA-LBPRGKRZSA-N 0 0 288.303 1.265 10 10 CDCERN C/C=C/C[C@H](NC(=O)c1cccc(O)c1O)C(=O)OCC ZINC001632615332 1166363114 /nfs/dbraw/zinc/36/31/14/1166363114.db2.gz MHUJSGFCCAWJJN-TZNOJPMFSA-N 0 0 293.319 1.726 10 10 CDCERN COc1c(F)nccc1C(=O)NCc1cccc(O)c1O ZINC001633515670 1166429294 /nfs/dbraw/zinc/42/92/94/1166429294.db2.gz LFNIKKJOUDBCRW-UHFFFAOYSA-N 0 0 292.266 1.571 10 10 CDCERN O=C(Nc1cn[nH]n1)c1cc2cc(O)c(O)cc2s1 ZINC001634387962 1166496231 /nfs/dbraw/zinc/49/62/31/1166496231.db2.gz SHZLIBPLFAKIJN-UHFFFAOYSA-N 0 0 276.277 1.683 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1Cc2cncn2C1 ZINC001636047337 1166645667 /nfs/dbraw/zinc/64/56/67/1166645667.db2.gz DVWWUIMAAQIZSH-MORRKMRCSA-N 0 0 285.303 1.049 10 10 CDCERN CCc1[nH]ccc1C(=O)NCc1cc(O)ccc1O ZINC001637125950 1166726611 /nfs/dbraw/zinc/72/66/11/1166726611.db2.gz IRYGDJMZBANHIK-UHFFFAOYSA-N 0 0 260.293 1.918 10 10 CDCERN COC/C(C)=C\C(=O)NCc1c(O)cccc1O ZINC001639292487 1166922676 /nfs/dbraw/zinc/92/26/76/1166922676.db2.gz FJBICZRJHULVPW-TWGQIWQCSA-N 0 0 251.282 1.307 10 10 CDCERN O=C(Cn1cncn1)NCc1c(O)ccc2ccccc21 ZINC001639384737 1166931576 /nfs/dbraw/zinc/93/15/76/1166931576.db2.gz SXIKCSBWRFZTIX-UHFFFAOYSA-N 0 0 282.303 1.453 10 10 CDCERN O=C(CCc1ccco1)NCc1ccc(O)cc1O ZINC001639441260 1166938907 /nfs/dbraw/zinc/93/89/07/1166938907.db2.gz OGXXQCACYISSRL-UHFFFAOYSA-N 0 0 261.277 1.940 10 10 CDCERN Cc1ccc(C(=O)Nc2ccc[n+]([O-])c2)c(O)c1O ZINC001641417379 1167106221 /nfs/dbraw/zinc/10/62/21/1167106221.db2.gz ZGOQHLLOYOTTBW-UHFFFAOYSA-N 0 0 260.249 1.292 10 10 CDCERN COC(=O)c1ncnc(NCc2ccccc2O)c1OC ZINC001642165500 1167157742 /nfs/dbraw/zinc/15/77/42/1167157742.db2.gz KQJAVFWSHQNNGA-UHFFFAOYSA-N 0 0 289.291 1.590 10 10 CDCERN Cc1cc(C2(C(=O)NCc3cc(O)ccc3O)CC2)on1 ZINC001643882422 1167277421 /nfs/dbraw/zinc/27/74/21/1167277421.db2.gz WGFOXSDAYKCHCX-UHFFFAOYSA-N 0 0 288.303 1.742 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1cccc2n[nH]nc21 ZINC001644711047 1167342498 /nfs/dbraw/zinc/34/24/98/1167342498.db2.gz PLEGOHFGEYMEOD-UHFFFAOYSA-N 0 0 284.275 1.299 10 10 CDCERN CC(C)Oc1c[nH]ccc1=NC(=O)c1cccc(O)c1[O-] ZINC001648510585 1169134027 /nfs/dbraw/zinc/13/40/27/1169134027.db2.gz MPDJZMXAXDHMHO-UHFFFAOYSA-N 0 0 288.303 1.954 10 10 CDCERN Cn1cc(/C=C\C(=O)NCc2ccc(O)cc2O)cn1 ZINC001570462395 1170164715 /nfs/dbraw/zinc/16/47/15/1170164715.db2.gz RPWPRSNNPVYUQK-DJWKRKHSSA-N 0 0 273.292 1.161 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1ccc2n[nH]cc2c1 ZINC001651222869 1171302938 /nfs/dbraw/zinc/30/29/38/1171302938.db2.gz QUYYKTFBCPRZPZ-UHFFFAOYSA-N 0 0 283.287 1.904 10 10 CDCERN O=C(CC1(O)CCCCC1)NCc1cc(O)ccc1O ZINC001651222185 1171303526 /nfs/dbraw/zinc/30/35/26/1171303526.db2.gz BMHJGFZKZYAEQM-UHFFFAOYSA-N 0 0 279.336 1.799 10 10 CDCERN O=C(CCCC(=O)C1CC1)NCc1cc(O)ccc1O ZINC001651225261 1171304421 /nfs/dbraw/zinc/30/44/21/1171304421.db2.gz CHIOHGLSRGDDRG-UHFFFAOYSA-N 0 0 277.320 1.863 10 10 CDCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCn2ccnc21 ZINC001672957648 1173811591 /nfs/dbraw/zinc/81/15/91/1173811591.db2.gz QFRSIYCGSQVBJJ-GFCCVEGCSA-N 0 0 286.335 1.875 10 10 CDCERN Cn1cnc2cncc(C(=O)NCc3cccc(O)c3O)c21 ZINC001593744072 1174170409 /nfs/dbraw/zinc/17/04/09/1174170409.db2.gz IHJZJFIGXJSADO-UHFFFAOYSA-N 0 0 298.302 1.310 10 10 CDCERN CCc1nnc(NC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001597285001 1174264969 /nfs/dbraw/zinc/26/49/69/1174264969.db2.gz YQKNKPUVOQINSY-UHFFFAOYSA-N 0 0 279.321 1.693 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001597569994 1174280710 /nfs/dbraw/zinc/28/07/10/1174280710.db2.gz ZPIOSUVICSGCKJ-UHFFFAOYSA-N 0 0 299.286 1.610 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])s1 ZINC001597569905 1174281293 /nfs/dbraw/zinc/28/12/93/1174281293.db2.gz VZMVTTNPRWFNSR-UHFFFAOYSA-N 0 0 294.288 1.998 10 10 CDCERN O=C(COCc1ccncc1)NCc1c(O)cccc1O ZINC001597574523 1174282927 /nfs/dbraw/zinc/28/29/27/1174282927.db2.gz ONONQSFMVXZJMU-UHFFFAOYSA-N 0 0 288.303 1.326 10 10 CDCERN COC1(C(=O)NCc2c(O)cccc2O)CCC1 ZINC001597574494 1174282934 /nfs/dbraw/zinc/28/29/34/1174282934.db2.gz NJFOUKQJBKOERP-UHFFFAOYSA-N 0 0 251.282 1.283 10 10 CDCERN O=C(NCc1ccc(=O)[nH]n1)N1Cc2cccc(O)c2C1 ZINC001682635445 1174618954 /nfs/dbraw/zinc/61/89/54/1174618954.db2.gz IERBHKGMYDXBAN-UHFFFAOYSA-N 0 0 286.291 1.113 10 10 CDCERN 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O=C(NCc1c(O)cccc1F)[C@@H]1CCc2nncn2C1 ZINC000928706675 727397129 /nfs/dbraw/zinc/39/71/29/727397129.db2.gz USFPFKOIWOWNQA-SECBINFHSA-N 0 0 290.298 1.002 10 10 CDCERN CC(=O)C(=O)COC(=O)Cc1cc(C)ccc1F ZINC000838129733 727404572 /nfs/dbraw/zinc/40/45/72/727404572.db2.gz GJHXDNHWTDBOPV-UHFFFAOYSA-N 0 0 252.241 1.378 10 10 CDCERN CCOc1ccc(C[N@H+](C)CCCCO)c(O)c1 ZINC000788270481 727469943 /nfs/dbraw/zinc/46/99/43/727469943.db2.gz YDYNVELBBGAHMV-UHFFFAOYSA-N 0 0 253.342 1.995 10 10 CDCERN CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000835037987 727844318 /nfs/dbraw/zinc/84/43/18/727844318.db2.gz SMVUMPCHTXZNTC-ISZGNANSSA-N 0 0 273.380 1.586 10 10 CDCERN Cc1cc(O)c(CN2CC(S(C)(=O)=O)C2)c(Cl)c1 ZINC000841887262 727858184 /nfs/dbraw/zinc/85/81/84/727858184.db2.gz KBCRPSYEOSGHKL-UHFFFAOYSA-N 0 0 289.784 1.583 10 10 CDCERN CCNC(=O)C[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000854393817 727890314 /nfs/dbraw/zinc/89/03/14/727890314.db2.gz QCBSETKVUJUEKD-JTQLQIEISA-N 0 0 296.392 1.975 10 10 CDCERN COc1cccc(CNC(=O)[C@H]2CC[C@H](OC)C2)c1O ZINC000830539895 727904513 /nfs/dbraw/zinc/90/45/13/727904513.db2.gz BJTNYSBBRBYLGQ-JQWIXIFHSA-N 0 0 279.336 1.832 10 10 CDCERN CN(C)c1ccc(/C=C/CNCc2nncn2C)cc1 ZINC000835037853 727985464 /nfs/dbraw/zinc/98/54/64/727985464.db2.gz YJHGHJKFRNCCPQ-SNAWJCMRSA-N 0 0 271.368 1.684 10 10 CDCERN Cn1cc(NCc2ccc(N3CCOCC3)cc2)nn1 ZINC000701759843 727989549 /nfs/dbraw/zinc/98/95/49/727989549.db2.gz RXOWEBUJYZLUQP-UHFFFAOYSA-N 0 0 273.340 1.264 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(-c2nnc(C)o2)cc1 ZINC000808526551 728008282 /nfs/dbraw/zinc/00/82/82/728008282.db2.gz RBEIWWZVVZEPKW-UHFFFAOYSA-N 0 0 288.259 1.360 10 10 CDCERN CC[C@](C)(OC)C(=O)NCc1c(O)cccc1F ZINC000928709053 728010988 /nfs/dbraw/zinc/01/09/88/728010988.db2.gz WVMVQPXILCMKPT-ZDUSSCGKSA-N 0 0 255.289 1.963 10 10 CDCERN COC[C@H](CCNC(=O)N[C@@H](C)c1ccccc1O)OC ZINC000868760938 728029690 /nfs/dbraw/zinc/02/96/90/728029690.db2.gz GIOBTMMLGZADQL-RYUDHWBXSA-N 0 0 296.367 1.804 10 10 CDCERN Cc1ccc(C(=O)NC2(CF)CCOCC2)c(O)c1O ZINC000836794534 728041958 /nfs/dbraw/zinc/04/19/58/728041958.db2.gz CPWACUKVOBOTEU-UHFFFAOYSA-N 0 0 283.299 1.655 10 10 CDCERN C[C@@H]1[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCN1C ZINC000719605453 728319035 /nfs/dbraw/zinc/31/90/35/728319035.db2.gz YLLMVFDUYDVJNW-PRHODGIISA-N 0 0 256.296 1.853 10 10 CDCERN CC(C)[C@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001618673663 1165641144 /nfs/dbraw/zinc/64/11/44/1165641144.db2.gz NVZSLPUENIXNBO-CQSZACIVSA-N 0 0 292.339 1.986 10 10 CDCERN C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001635802426 1166624148 /nfs/dbraw/zinc/62/41/48/1166624148.db2.gz QNMCQOKOCZYCLY-OAHLLOKOSA-N 0 0 279.336 1.404 10 10 CDCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)S1 ZINC001566172249 1168248687 /nfs/dbraw/zinc/24/86/87/1168248687.db2.gz RYQBLEXJEUAZBS-AOOOYVTPSA-N 0 0 281.377 1.993 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cncc(O)c1 ZINC001647270680 1168509701 /nfs/dbraw/zinc/50/97/01/1168509701.db2.gz WTZBVQSRGVCFOE-UHFFFAOYSA-N 0 0 260.249 1.128 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CDCERN O=C(Cc1ccc(O)c(O)c1)NC1CCSCC1 ZINC001136550156 931136347 /nfs/dbraw/zinc/13/63/47/931136347.db2.gz DMLZBWBGVCOUBT-UHFFFAOYSA-N 0 0 267.350 1.652 10 10 CDCERN O=[S@]1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1O ZINC000846103047 931980860 /nfs/dbraw/zinc/98/08/60/931980860.db2.gz KUBPXRSJOMKNQA-DINDLPBHSA-N 0 0 255.314 1.237 10 10 CDCERN COc1c(C(=O)N(C)Cc2ccccc2O)cnn1C ZINC001117995020 937577785 /nfs/dbraw/zinc/57/77/85/937577785.db2.gz UHKQOQGMPGPHJZ-UHFFFAOYSA-N 0 0 275.308 1.407 10 10 CDCERN COCCCOCCC(=O)NCc1c(O)cccc1F ZINC000928705082 933173278 /nfs/dbraw/zinc/17/32/78/933173278.db2.gz DHIFRHAEAUTIPW-UHFFFAOYSA-N 0 0 285.315 1.591 10 10 CDCERN CO[C@H](C)CN(C(=O)c1cccc(O)c1O)C(C)C ZINC000688049839 934528844 /nfs/dbraw/zinc/52/88/44/934528844.db2.gz LEUZGIBEOHFWDS-SNVBAGLBSA-N 0 0 267.325 1.983 10 10 CDCERN COC(=O)c1ccc(NCc2c(O)cccc2F)nn1 ZINC001164185848 939427655 /nfs/dbraw/zinc/42/76/55/939427655.db2.gz TUTMASCBSNOQPL-UHFFFAOYSA-N 0 0 277.255 1.720 10 10 CDCERN Cn1ccn2c(CSc3nccs3)nnc2c1=O 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CC[C@](C)(CO)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000847590655 967724788 /nfs/dbraw/zinc/72/47/88/967724788.db2.gz CTQMQHFNWZGDQN-MEBBXXQBSA-N 0 0 281.352 1.987 10 10 CDCERN Cc1c(C(=O)NCc2ccc3cccnc3c2O)nnn1C ZINC001451945483 968033144 /nfs/dbraw/zinc/03/31/44/968033144.db2.gz AVCFKHAEWFCVKY-UHFFFAOYSA-N 0 0 297.318 1.307 10 10 CDCERN CC1(C)CO[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001455494619 968724569 /nfs/dbraw/zinc/72/45/69/968724569.db2.gz VCUBEBDZYYVVJM-NSHDSACASA-N 0 0 279.336 1.572 10 10 CDCERN C/C(=C\c1cccnc1)C(=O)N1CC(=O)Nc2cnccc21 ZINC001354612313 968806834 /nfs/dbraw/zinc/80/68/34/968806834.db2.gz ADPMAHJKTYBYIS-YRNVUSSQSA-N 0 0 294.314 1.865 10 10 CDCERN CC(C)C1(C(=O)NCc2cccc(O)c2O)COC1 ZINC001528781921 968931116 /nfs/dbraw/zinc/93/11/16/968931116.db2.gz QJWGOWKODDQGOC-UHFFFAOYSA-N 0 0 265.309 1.387 10 10 CDCERN C/C(=C\C(=O)N(C)c1nccnc1C)c1cnccn1 ZINC001533981275 969468604 /nfs/dbraw/zinc/46/86/04/969468604.db2.gz WRJPOGGHHFSJHQ-CSKARUKUSA-N 0 0 269.308 1.641 10 10 CDCERN 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CDCERN C[C@@](O)(C[NH2+]Cc1cccc(F)c1[O-])C(F)(F)F ZINC000272243926 365148913 /nfs/dbraw/zinc/14/89/13/365148913.db2.gz AZUWIHHGLFFAPZ-SNVBAGLBSA-N 0 0 267.222 1.934 10 10 CDCERN Cc1c(O)c2ccccc2c(O)c1SCCO ZINC000038525647 366908130 /nfs/dbraw/zinc/90/81/30/366908130.db2.gz CYBBVQXWGCQLGS-ISVAXAHUSA-N 0 0 250.319 1.796 10 10 CDCERN O=C1CN2Cc3cc(N4CCCCC4)ccc3NC2=N1 ZINC000005162076 373722790 /nfs/dbraw/zinc/72/27/90/373722790.db2.gz MNVCNERGJZWWAO-UHFFFAOYSA-N 0 0 270.336 1.801 10 10 CDCERN COc1cc(N(C)CC2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000213723923 391370514 /nfs/dbraw/zinc/37/05/14/391370514.db2.gz KWBWGLLIVDUOME-UHFFFAOYSA-N 0 0 296.323 1.819 10 10 CDCERN CCN1C(=O)/C(=C\c2cccs2)C(=O)NC1=S ZINC000005926702 170156475 /nfs/dbraw/zinc/15/64/75/170156475.db2.gz JSGKBJUGJNNJTQ-VURMDHGXSA-N 0 0 266.347 1.395 10 10 CDCERN CN(C(=O)Cn1cc(Cl)cn1)c1ccc(N)cc1 ZINC000038053327 174065199 /nfs/dbraw/zinc/06/51/99/174065199.db2.gz OIRKKIOQEPBGNM-UHFFFAOYSA-N 0 0 264.716 1.782 10 10 CDCERN 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CC[C@H](c1ccccc1O)N1CCCS(=O)(=O)CC1 ZINC000233886949 333355682 /nfs/dbraw/zinc/35/56/82/333355682.db2.gz MONHLHPQSSUMSS-CYBMUJFWSA-N 0 0 283.393 1.964 10 10 CDCERN Cc1ccc(C(=O)NCc2cnc(Cl)cn2)c(O)c1O ZINC001625906645 1159724618 /nfs/dbraw/zinc/72/46/18/1159724618.db2.gz GJYTXTBNGFNKRA-UHFFFAOYSA-N 0 0 293.710 1.780 10 10 CDCERN COc1c([O-])c(C[NH2+]C(C)(C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000278523489 521876764 /nfs/dbraw/zinc/87/67/64/521876764.db2.gz SLZWCWJIXMDFRI-QMMMGPOBSA-N 0 0 284.312 1.558 10 10 CDCERN CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)OC ZINC000272399271 522658072 /nfs/dbraw/zinc/65/80/72/522658072.db2.gz HQQLNXOFDIWTQY-BREXMAIKSA-N 0 0 279.292 1.179 10 10 CDCERN COC(=O)CC1(NC(=O)c2cccc(O)c2O)CCCC1 ZINC000280036001 522931961 /nfs/dbraw/zinc/93/19/61/522931961.db2.gz OBFRGYZEQJMAMO-UHFFFAOYSA-N 0 0 293.319 1.704 10 10 CDCERN COc1ccc(CNC(=O)[C@@H]2CCCOCC2)c(O)c1 ZINC000366561472 524063117 /nfs/dbraw/zinc/06/31/17/524063117.db2.gz DDTDBPLJWSKGIW-LLVKDONJSA-N 0 0 279.336 1.834 10 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CCn1nccc1S(=O)(=O)NCc1ccccc1O ZINC000274432878 365663249 /nfs/dbraw/zinc/66/32/49/365663249.db2.gz CIWFSNWTMICVMW-UHFFFAOYSA-N 0 0 281.337 1.087 10 10 CDCERN CN(C)S(=O)(=O)n1cncc1/N=N/c1ccccc1 ZINC000200200691 342710676 /nfs/dbraw/zinc/71/06/76/342710676.db2.gz BBWKXYGRJZTVTI-BUHFOSPRSA-N 0 0 279.325 1.953 10 10 CDCERN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCNC1=O ZINC000294538081 199077558 /nfs/dbraw/zinc/07/75/58/199077558.db2.gz DNTOSGJUUVUVJI-NSHDSACASA-N 0 0 286.734 1.895 10 10 CDCERN O=C(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])NCC1CC1 ZINC000293706564 370759357 /nfs/dbraw/zinc/75/93/57/370759357.db2.gz UGXKXYRMZJAGPM-UHFFFAOYSA-N 0 0 286.734 1.801 10 10 CDCERN Cc1ccc(C(=O)N(C)[C@H]2CCOC2)c(O)c1O ZINC000272741937 365375432 /nfs/dbraw/zinc/37/54/32/365375432.db2.gz IOKUTKYUHMGXIH-VIFPVBQESA-N 0 0 251.282 1.267 10 10 CDCERN COc1ccc(O)c(CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282835796 368060771 /nfs/dbraw/zinc/06/07/71/368060771.db2.gz VCUDOCUJWKGCNA-JTQLQIEISA-N 0 0 264.325 1.063 10 10 CDCERN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296535840 296162595 /nfs/dbraw/zinc/16/25/95/296162595.db2.gz QRQWJADMFIEKLX-KCJUWKMLSA-N 0 0 279.296 1.230 10 10 CDCERN Cc1ncc2c(ccn(-c3ccc(N)cc3)c2=O)n1 ZINC000072416356 390607885 /nfs/dbraw/zinc/60/78/85/390607885.db2.gz MEMBWNSDOKSQPZ-UHFFFAOYSA-N 0 0 252.277 1.671 10 10 CDCERN Oc1cc2c(cc1CN1CCO[C@@H](C3CC3)C1)OCO2 ZINC000372800057 391865033 /nfs/dbraw/zinc/86/50/33/391865033.db2.gz IFUFAHANELTTKV-OAHLLOKOSA-N 0 0 277.320 1.732 10 10 CDCERN COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1O ZINC000005191201 170075455 /nfs/dbraw/zinc/07/54/55/170075455.db2.gz HZIWJAKHBOSVLV-UHFFFAOYSA-N 0 0 278.260 1.620 10 10 CDCERN CCOC(=O)c1cc2ccc(O)c(=O)c-2c(O)c(O)c1 ZINC000006350446 170194665 /nfs/dbraw/zinc/19/46/65/170194665.db2.gz GJZRNPKPWSCKLL-UHFFFAOYSA-N 0 0 276.244 1.494 10 10 CDCERN Nc1ccc(NC(=O)CCn2ccccc2=O)cc1 ZINC000022214691 171374722 /nfs/dbraw/zinc/37/47/22/171374722.db2.gz IKGAISIXBGEHKW-UHFFFAOYSA-N 0 0 257.293 1.459 10 10 CDCERN CN(c1cc2c(cc1N)OCCO2)[C@@H]1CCSC1 ZINC000037174402 173009063 /nfs/dbraw/zinc/00/90/63/173009063.db2.gz MCMANADMRKLYBU-SECBINFHSA-N 0 0 266.366 1.982 10 10 CDCERN O=C(NCc1ccccc1)c1cc(O)c(O)c(O)c1 ZINC000040565065 174337033 /nfs/dbraw/zinc/33/70/33/174337033.db2.gz SNDBSPLMZQWYCG-UHFFFAOYSA-N 0 0 259.261 1.733 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@H]2COC[C@H]2C1 ZINC000690765882 1159368162 /nfs/dbraw/zinc/36/81/62/1159368162.db2.gz MNMFERMXHWKLPX-VHSXEESVSA-N 0 0 263.293 1.206 10 10 CDCERN CCN(Cc1ccc(N)cc1)C(=O)[C@@H]1COCCO1 ZINC000055297381 521323066 /nfs/dbraw/zinc/32/30/66/521323066.db2.gz GPIOQTMROAPAEG-ZDUSSCGKSA-N 0 0 264.325 1.033 10 10 CDCERN COC(=O)CCCCNC(=O)c1cccc(O)c1O ZINC000274989499 523002467 /nfs/dbraw/zinc/00/24/67/523002467.db2.gz MMYKPVJIDZPZHK-UHFFFAOYSA-N 0 0 267.281 1.171 10 10 CDCERN CN(Cc1ccccc1O)C(=O)Cc1ccnn1C ZINC000278684880 523377391 /nfs/dbraw/zinc/37/73/91/523377391.db2.gz UOIOCZGIBMOBAD-UHFFFAOYSA-N 0 0 259.309 1.327 10 10 CDCERN COCCN(C[C@@H](O)COC)c1ccc(OC)c(OC)c1 ZINC000269649050 523729878 /nfs/dbraw/zinc/72/98/78/523729878.db2.gz PYUAPEBBKLFKOK-CYBMUJFWSA-N 0 0 299.367 1.164 10 10 CDCERN C[C@H](Cn1cncn1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294325884 524800844 /nfs/dbraw/zinc/80/08/44/524800844.db2.gz RHBQOMKDJSIGOF-MRVPVSSYSA-N 0 0 284.722 1.955 10 10 CDCERN O=C(C1CC1)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 ZINC000062575904 526286626 /nfs/dbraw/zinc/28/66/26/526286626.db2.gz LRPMOXWGPJBDPO-UHFFFAOYSA-N 0 0 285.347 1.240 10 10 CDCERN CC(C)(C)NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772769315 575752102 /nfs/dbraw/zinc/75/21/02/575752102.db2.gz NODCVGRPGVZQNV-ALCCZGGFSA-N 0 0 293.319 1.569 10 10 CDCERN C[C@H](CO)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000766728204 576128564 /nfs/dbraw/zinc/12/85/64/576128564.db2.gz FJTCPIOOJGAANC-AZVKUDOFSA-N 0 0 252.266 1.283 10 10 CDCERN COC(=O)/C(C)=C\COC(=O)c1ccc(C)c(O)c1O ZINC000748184673 576900030 /nfs/dbraw/zinc/90/00/30/576900030.db2.gz UJLADNCRHOOXBV-TWGQIWQCSA-N 0 0 280.276 1.682 10 10 CDCERN CCNC(=O)CN(C)Cc1cc(C)cc(OC)c1O ZINC000754722606 576912291 /nfs/dbraw/zinc/91/22/91/576912291.db2.gz JHZDJLZZVBUZEC-UHFFFAOYSA-N 0 0 266.341 1.277 10 10 CDCERN CCOc1ccc(CN2CCO[C@H]([C@H](C)O)C2)c(O)c1 ZINC000840978117 617986159 /nfs/dbraw/zinc/98/61/59/617986159.db2.gz PHPNMFRYRLPAFR-NHYWBVRUSA-N 0 0 281.352 1.373 10 10 CDCERN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H](C)CO2)c1 ZINC000896361109 620072489 /nfs/dbraw/zinc/07/24/89/620072489.db2.gz KVUWYEJSZCYQDU-RNCFNFMXSA-N 0 0 265.309 1.442 10 10 CDCERN COc1ccc(CNC(=O)[C@H]2C[C@@H](C)CO2)c(O)c1 ZINC000897629410 621039324 /nfs/dbraw/zinc/03/93/24/621039324.db2.gz OJTSKMZZOBWHEN-NOZJJQNGSA-N 0 0 265.309 1.442 10 10 CDCERN C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841057841 621605704 /nfs/dbraw/zinc/60/57/04/621605704.db2.gz RTOMPHMYUXUUKG-GHMZBOCLSA-N 0 0 275.352 1.854 10 10 CDCERN C[C@H](CC(=O)NCc1ccc(O)cc1O)[C@H]1CCCO1 ZINC000910942934 629124632 /nfs/dbraw/zinc/12/46/32/629124632.db2.gz IUNTYEVAPZWYHO-QMTHXVAHSA-N 0 0 279.336 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/nfs/dbraw/zinc/09/52/07/969095207.db2.gz SYAVXRHUFHCILC-UHFFFAOYSA-N 0 0 292.722 1.674 10 10 CDCERN Cc1nccnc1N(C)C(=O)/C=C\c1cn(C)cn1 ZINC001536880085 969635575 /nfs/dbraw/zinc/63/55/75/969635575.db2.gz MPAXPZZIEUEGPD-PLNGDYQASA-N 0 0 257.297 1.195 10 10 CDCERN COc1ccc(CNC(=O)/C=C(/C)c2cnccn2)c(O)c1 ZINC001467471339 970064012 /nfs/dbraw/zinc/06/40/12/970064012.db2.gz CWGRNNKBYFKIHQ-XFFZJAGNSA-N 0 0 299.330 1.911 10 10 CDCERN C[C@@]1(CCC(=O)NCc2cccc(O)c2O)CCC(=O)N1 ZINC001520508453 970193862 /nfs/dbraw/zinc/19/38/62/970193862.db2.gz BPNHOGSEZLAKTP-OAHLLOKOSA-N 0 0 292.335 1.163 10 10 CDCERN CNc1snc(C)c1C(=O)NCc1ccc(O)cc1O ZINC001469161310 970227879 /nfs/dbraw/zinc/22/78/79/970227879.db2.gz XOPQRGAJOKBLFB-UHFFFAOYSA-N 0 0 293.348 1.834 10 10 CDCERN Cc1n[nH]cc1CN(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001469326279 970241057 /nfs/dbraw/zinc/24/10/57/970241057.db2.gz JEVPUPGIOIITDS-GQCTYLIASA-N 0 0 287.319 1.801 10 10 CDCERN CN(C(=O)c1ccoc1CC(N)=O)c1ccsc1 ZINC001469590654 970258217 /nfs/dbraw/zinc/25/82/17/970258217.db2.gz JIKNXLIMVDMLPC-UHFFFAOYSA-N 0 0 264.306 1.646 10 10 CDCERN COc1nc(C(=O)NCc2cc(O)ccc2O)co1 ZINC001471661933 970456221 /nfs/dbraw/zinc/45/62/21/970456221.db2.gz HMXUXHGTIFCMQS-UHFFFAOYSA-N 0 0 264.237 1.024 10 10 CDCERN CC[C@@H]1CC[C@H](C(=O)NCc2cc(O)ccc2O)O1 ZINC001651223135 1171303127 /nfs/dbraw/zinc/30/31/27/1171303127.db2.gz XLORTGSTMBJDOJ-DGCLKSJQSA-N 0 0 265.309 1.672 10 10 CDCERN CCOC(=O)c1nccc(NCc2c(O)cccc2O)n1 ZINC001651452321 1171325985 /nfs/dbraw/zinc/32/59/85/1171325985.db2.gz XRKKLMWQSHTZDE-UHFFFAOYSA-N 0 0 289.291 1.099 10 10 CDCERN CC1(C)CN(Cc2cc(F)ccc2O)CCS1(=O)=O ZINC000180213578 357252063 /nfs/dbraw/zinc/25/20/63/357252063.db2.gz IAOKDFKAPVYYGU-UHFFFAOYSA-N 0 0 287.356 1.540 10 10 CDCERN COC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186381606 357643963 /nfs/dbraw/zinc/64/39/63/357643963.db2.gz KMLHBGJISLKTQV-VIFPVBQESA-N 0 0 267.325 1.570 10 10 CDCERN Nc1ccc(N2CCN(c3cccnc3)CC2)cc1 ZINC000116755408 359636061 /nfs/dbraw/zinc/63/60/61/359636061.db2.gz NIIDHHVRWBGULA-UHFFFAOYSA-N 0 0 254.337 1.990 10 10 CDCERN COc1cccc(CNC(=O)c2n[nH]c(C)c2C)c1O ZINC000266979564 363705278 /nfs/dbraw/zinc/70/52/78/363705278.db2.gz LWUYSLOEMXATQR-UHFFFAOYSA-N 0 0 275.308 1.671 10 10 CDCERN COc1ccc(O)c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000285218924 368598182 /nfs/dbraw/zinc/59/81/82/368598182.db2.gz RQJIQLDMHDHHKU-IUODEOHRSA-N 0 0 297.395 1.648 10 10 CDCERN C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc(O)c1O ZINC000253092166 370215876 /nfs/dbraw/zinc/21/58/76/370215876.db2.gz KOKUWYJMOWVRJI-RYUDHWBXSA-N 0 0 290.363 1.797 10 10 CDCERN CO[C@@H](C)[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000295197067 371143201 /nfs/dbraw/zinc/14/32/01/371143201.db2.gz MJLZTSJIQPYPFH-BQBZGAKWSA-N 0 0 257.261 1.390 10 10 CDCERN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000293647694 378594290 /nfs/dbraw/zinc/59/42/90/378594290.db2.gz ONMDYRWLJVJHQT-GFCCVEGCSA-N 0 0 275.707 1.426 10 10 CDCERN COC[C@H]1CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000294215778 391045072 /nfs/dbraw/zinc/04/50/72/391045072.db2.gz DWNMPPWITIQXOK-JOAKQRRISA-N 0 0 263.293 1.358 10 10 CDCERN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000281655182 288842220 /nfs/dbraw/zinc/84/22/20/288842220.db2.gz BYGYUGOGWZXOQL-GZMMTYOYSA-N 0 0 268.744 1.802 10 10 CDCERN C[C@H]1CN(CC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022154704 171361762 /nfs/dbraw/zinc/36/17/62/171361762.db2.gz ABSRKGORDOFUHJ-QWRGUYRKSA-N 0 0 263.341 1.317 10 10 CDCERN Nc1ccc(NC(=O)CCN2C(=O)CSC2=O)cc1 ZINC000022162984 171364817 /nfs/dbraw/zinc/36/48/17/171364817.db2.gz YWUIEJFIIOSUFA-UHFFFAOYSA-N 0 0 279.321 1.293 10 10 CDCERN COC(=O)[C@@H](N[C@H](C)c1ccc(O)cc1O)C(C)C ZINC000035346493 172138281 /nfs/dbraw/zinc/13/82/81/172138281.db2.gz JOGXBZPKNURQLV-RNCFNFMXSA-N 0 0 267.325 1.946 10 10 CDCERN Nc1cccc(Cl)c1NC1CCS(=O)(=O)CC1 ZINC000036331083 172614845 /nfs/dbraw/zinc/61/48/45/172614845.db2.gz WISAESYOEVADFK-UHFFFAOYSA-N 0 0 274.773 1.911 10 10 CDCERN C[C@H](O)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272837394 263009267 /nfs/dbraw/zinc/00/92/67/263009267.db2.gz PBURWGCGRBLBBW-IWGCBNPKSA-N 0 0 265.309 1.387 10 10 CDCERN CCN(C(=O)c1c[nH]cc1-c1cnn(C)c1)c1cnn(C)c1 ZINC000655333289 424452007 /nfs/dbraw/zinc/45/20/07/424452007.db2.gz JJRCICXZDDGVKY-UHFFFAOYSA-N 0 0 298.350 1.815 10 10 CDCERN Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c(O)c1O ZINC000376851259 268024489 /nfs/dbraw/zinc/02/44/89/268024489.db2.gz JXJDUDNPFZTYAZ-AOOOYVTPSA-N 0 0 263.293 1.410 10 10 CDCERN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1 ZINC000276021103 524105651 /nfs/dbraw/zinc/10/56/51/524105651.db2.gz CHRKWMAFWAHRKM-UHFFFAOYSA-N 0 0 288.326 1.920 10 10 CDCERN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)O1 ZINC000126192607 524872013 /nfs/dbraw/zinc/87/20/13/524872013.db2.gz RATKMQFSSPCLFE-RKDXNWHRSA-N 0 0 251.282 1.347 10 10 CDCERN Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C)c(O)c1O ZINC000278480136 526201874 /nfs/dbraw/zinc/20/18/74/526201874.db2.gz KLKZKBKBGXDZIT-GXSJLCMTSA-N 0 0 265.309 1.561 10 10 CDCERN O=C(NCC1(CO)CC2(CCC2)C1)c1cccc(O)c1O ZINC000279171909 527566493 /nfs/dbraw/zinc/56/64/93/527566493.db2.gz RJQVHCVFFMSVIG-UHFFFAOYSA-N 0 0 291.347 1.770 10 10 CDCERN COc1c([O-])c(C[NH2+][C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000774991149 575259664 /nfs/dbraw/zinc/25/96/64/575259664.db2.gz WMQWSYRLIBXMKS-MRVPVSSYSA-N 0 0 284.312 1.558 10 10 CDCERN COC(=O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000772207585 575671429 /nfs/dbraw/zinc/67/14/29/575671429.db2.gz PLHRMEBVGALWKL-RRFAQUSLSA-N 0 0 292.287 1.606 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000765417946 576019252 /nfs/dbraw/zinc/01/92/52/576019252.db2.gz LBVWDYJFYBWGEF-MWLCHTKSSA-N 0 0 294.376 1.585 10 10 CDCERN O=C(NCCCN1CCCC1=O)NCc1ccccc1O ZINC000748451025 576912900 /nfs/dbraw/zinc/91/29/00/576912900.db2.gz NHQCTRFAMXSIHC-UHFFFAOYSA-N 0 0 291.351 1.204 10 10 CDCERN C[C@H]1C[C@@H](NCc2cn(C)nn2)c2c1c(F)ccc2O ZINC000757654258 577048556 /nfs/dbraw/zinc/04/85/56/577048556.db2.gz DIKURFAPAILMFX-GZMMTYOYSA-N 0 0 276.315 1.998 10 10 CDCERN O=C(Cn1cnc2c1CCCC2)NCc1ccccc1O ZINC000757938669 577062027 /nfs/dbraw/zinc/06/20/27/577062027.db2.gz UQZCSFKAIZYWBJ-UHFFFAOYSA-N 0 0 285.347 1.784 10 10 CDCERN COC(=O)c1ccc(O)c([C@H](C)NCc2cnn(C)n2)c1 ZINC000806167432 617308670 /nfs/dbraw/zinc/30/86/70/617308670.db2.gz VVLQSGYUNALZRY-VIFPVBQESA-N 0 0 290.323 1.158 10 10 CDCERN CN(C)c1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=O)[O-])cc1F ZINC000901960113 618398700 /nfs/dbraw/zinc/39/87/00/618398700.db2.gz CRPRTQRKABLAOC-FZMZJTMJSA-N 0 0 296.342 1.471 10 10 CDCERN COC(=O)CC(C)(C)CNC(=O)c1ccc(C)c(O)c1O ZINC000927967024 618758702 /nfs/dbraw/zinc/75/87/02/618758702.db2.gz RIOZMDBTCKRDCH-UHFFFAOYSA-N 0 0 295.335 1.725 10 10 CDCERN O=C(NCc1c(O)cccc1F)C1=CCCCO1 ZINC000928704512 620503058 /nfs/dbraw/zinc/50/30/58/620503058.db2.gz ALUCOFRISRVSAN-UHFFFAOYSA-N 0 0 251.257 1.842 10 10 CDCERN CC[C@@H](O)CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898725080 621850623 /nfs/dbraw/zinc/85/06/23/621850623.db2.gz 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WQFAIPJYJMCUNX-GWCFXTLKSA-N 0 0 285.365 1.331 10 10 CDCERN COc1cccc(CN2CC(F)(F)C[C@@H]2CO)c1O ZINC000364846079 525933240 /nfs/dbraw/zinc/93/32/40/525933240.db2.gz SLSFGOABXUKEJH-SNVBAGLBSA-N 0 0 273.279 1.603 10 10 CDCERN COC(=O)CCCCNC(=O)C1=CC(=O)CS1 ZINC000732280272 575086467 /nfs/dbraw/zinc/08/64/67/575086467.db2.gz UYYHKXICVGYFDD-UHFFFAOYSA-N 0 0 257.311 1.527 10 10 CDCERN COC(=O)/C(C)=C/COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759598682 576409773 /nfs/dbraw/zinc/40/97/73/576409773.db2.gz XICSOLZGZUZMJF-BSAFSDHNSA-N 0 0 292.287 1.774 10 10 CDCERN C[C@@H](C(=O)NCc1ccccc1O)c1cncnc1 ZINC000774065450 575829135 /nfs/dbraw/zinc/82/91/35/575829135.db2.gz NPZDRIXRTJNXDB-SNVBAGLBSA-N 0 0 257.293 1.602 10 10 CDCERN Cc1ccc(C(=O)OC[C@@H](O)COC(C)C)c(O)c1O ZINC000762878968 576687080 /nfs/dbraw/zinc/68/70/80/576687080.db2.gz BXFOXLQQWTXCLS-JTQLQIEISA-N 0 0 284.308 1.349 10 10 CDCERN COc1cccc(CNC(=O)Nc2ccnnc2C)c1O ZINC000763254403 576726368 /nfs/dbraw/zinc/72/63/68/576726368.db2.gz 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/nfs/dbraw/zinc/77/45/82/619774582.db2.gz LZOQTXQUMVNEAR-CABZTGNLSA-N 0 0 284.153 1.721 10 10 CDCERN C[C@@]1(O)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896835730 620248182 /nfs/dbraw/zinc/24/81/82/620248182.db2.gz HKWQNVMGBPXIAR-CQSZACIVSA-N 0 0 293.344 1.909 10 10 CDCERN C[C@H]1CO[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 ZINC000897068811 620368308 /nfs/dbraw/zinc/36/83/08/620368308.db2.gz QZNPCMGIIRXYBL-RNCFNFMXSA-N 0 0 265.309 1.182 10 10 CDCERN COc1ccc(CNC(=O)[C@@H]2C[C@H](C)CO2)c(O)c1 ZINC000897629413 621039517 /nfs/dbraw/zinc/03/95/17/621039517.db2.gz OJTSKMZZOBWHEN-ZANVPECISA-N 0 0 265.309 1.442 10 10 CDCERN CC(=O)c1cn(C2CN(Cc3cc(F)ccc3O)C2)nn1 ZINC000897939467 621236058 /nfs/dbraw/zinc/23/60/58/621236058.db2.gz XQBNPQOCHYESBP-UHFFFAOYSA-N 0 0 290.298 1.382 10 10 CDCERN CC(C)COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000904066868 626185378 /nfs/dbraw/zinc/18/53/78/626185378.db2.gz FRZNCNXSPZPDIB-HNNXBMFYSA-N 0 0 294.395 1.968 10 10 CDCERN CCc1nc[nH]c1C(=O)N(C)Cc1ccccc1O ZINC000906990162 627486122 /nfs/dbraw/zinc/48/61/22/627486122.db2.gz BCAYKWWHNZSUTF-UHFFFAOYSA-N 0 0 259.309 1.950 10 10 CDCERN CCc1nc[nH]c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000907276075 627579541 /nfs/dbraw/zinc/57/95/41/627579541.db2.gz YZUUYINOTKBCQM-SECBINFHSA-N 0 0 289.335 1.744 10 10 CDCERN CCC/C=C/[C@@H](O)C(=O)N1Cc2cccc(O)c2C1 ZINC000913726030 630740557 /nfs/dbraw/zinc/74/05/57/630740557.db2.gz GJUNJFWCNNWUBZ-BTKRWWFXSA-N 0 0 261.321 1.952 10 10 CDCERN COCC[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000915845252 631836328 /nfs/dbraw/zinc/83/63/28/631836328.db2.gz DIBGLHREHALJQP-SECBINFHSA-N 0 0 270.304 1.756 10 10 CDCERN Oc1cccc(Br)c1CNCc1nc[nH]n1 ZINC000706846364 1158765447 /nfs/dbraw/zinc/76/54/47/1158765447.db2.gz GIXGQZRQTJGILR-UHFFFAOYSA-N 0 0 283.129 1.563 10 10 CDCERN COc1ccc(O)c([C@H](C)NC(=O)c2nccc(C)n2)c1 ZINC000792237786 1162268787 /nfs/dbraw/zinc/26/87/87/1162268787.db2.gz JCUUICFYOGGMJL-JTQLQIEISA-N 0 0 287.319 1.990 10 10 CDCERN CSC[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001617967112 1165614742 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CC(C)(C)[C@H](O)C(=O)NCc1ccc2cccnc2c1O ZINC000862026923 813864065 /nfs/dbraw/zinc/86/40/65/813864065.db2.gz DDUGFOCTNSMGSL-CQSZACIVSA-N 0 0 288.347 1.964 10 10 CDCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(C)(CO)C1 ZINC000838479856 813870313 /nfs/dbraw/zinc/87/03/13/813870313.db2.gz UGJFJWQPQYUDNR-UHFFFAOYSA-N 0 0 291.395 1.585 10 10 CDCERN [O-]c1c(C[NH2+]C[C@@]2(O)CCSC2)ccc(F)c1F ZINC000703256332 813942305 /nfs/dbraw/zinc/94/23/05/813942305.db2.gz JVJRIPIACVTMGP-LBPRGKRZSA-N 0 0 275.320 1.628 10 10 CDCERN COC(=O)c1cc(OCC[C@H](C)O)ccc1N(C)C ZINC000865395077 814065314 /nfs/dbraw/zinc/06/53/14/814065314.db2.gz IECBJIWGEOFWNC-JTQLQIEISA-N 0 0 267.325 1.689 10 10 CDCERN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000858494796 814091724 /nfs/dbraw/zinc/09/17/24/814091724.db2.gz NREUXOBQUDMCPS-NRPADANISA-N 0 0 252.289 1.446 10 10 CDCERN CO[C@@H](C)[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001638053151 1166815890 /nfs/dbraw/zinc/81/58/90/1166815890.db2.gz CDLMKQBRWPNTIX-BDAKNGLRSA-N 0 0 253.298 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CDCERN O=C(C[C@H]1CSCCS1)NCc1c(O)cccc1O ZINC001639292834 1166922605 /nfs/dbraw/zinc/92/26/05/1166922605.db2.gz SHISDOAYZHFQLG-VIFPVBQESA-N 0 0 299.417 1.953 10 10 CDCERN O=C(NCc1cccc(Cl)c1O)c1ncc[nH]1 ZINC001640405084 1167020254 /nfs/dbraw/zinc/02/02/54/1167020254.db2.gz LSQHOHYHEYBCAU-UHFFFAOYSA-N 0 0 251.673 1.699 10 10 CDCERN O=C(NCc1cc(Cl)ccc1O)c1cc(=O)[nH]cn1 ZINC001640924246 1167061475 /nfs/dbraw/zinc/06/14/75/1167061475.db2.gz INFAUVZQAQBXBO-UHFFFAOYSA-N 0 0 279.683 1.471 10 10 CDCERN C[C@@H](NC(=O)C[C@H](C)NC(N)=O)c1ccccc1O ZINC001642827508 1167201808 /nfs/dbraw/zinc/20/18/08/1167201808.db2.gz JPYUZGOSPBORDO-DTWKUNHWSA-N 0 0 265.313 1.016 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H]2CSC[C@@H]2C1 ZINC001642878065 1167207823 /nfs/dbraw/zinc/20/78/23/1167207823.db2.gz ZWNMXLCTUBUAIO-RYUDHWBXSA-N 0 0 293.388 1.852 10 10 CDCERN O=C(c1cc2cc(O)c(O)cc2s1)N1CC=C[C@H]1CO ZINC001643528577 1167256289 /nfs/dbraw/zinc/25/62/89/1167256289.db2.gz RNFFVAIOEKAMPD-VIFPVBQESA-N 0 0 291.328 1.685 10 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10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cn2c(n1)CCCC2 ZINC001645363001 1167396542 /nfs/dbraw/zinc/39/65/42/1167396542.db2.gz IJRFRLDRZGHGPB-UHFFFAOYSA-N 0 0 287.319 1.561 10 10 CDCERN C[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ncnn21 ZINC001645373150 1167397877 /nfs/dbraw/zinc/39/78/77/1167397877.db2.gz DCBKRXCDYVZAPO-WPRPVWTQSA-N 0 0 288.307 1.054 10 10 CDCERN CC(C)n1cnc(NC(=O)C2=CC(=O)CS2)n1 ZINC001328423980 1167465026 /nfs/dbraw/zinc/46/50/26/1167465026.db2.gz ZLEHIGGFEQCQQH-UHFFFAOYSA-N 0 0 252.299 1.878 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)NC2 ZINC001570009929 1170058434 /nfs/dbraw/zinc/05/84/34/1170058434.db2.gz BJVXPKBKWWTGSM-UHFFFAOYSA-N 0 0 298.298 1.522 10 10 CDCERN COc1cc(C)cnc1C(=O)NCc1ccc(O)cc1O ZINC001570462455 1170164803 /nfs/dbraw/zinc/16/48/03/1170164803.db2.gz UNECNIKBPAWNOW-UHFFFAOYSA-N 0 0 288.303 1.740 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cnc2nccnc2c1 ZINC001570462573 1170165059 /nfs/dbraw/zinc/16/50/59/1170165059.db2.gz ZLEKXFDLMMZRMM-UHFFFAOYSA-N 0 0 296.286 1.366 10 10 CDCERN CS(=O)(=O)c1ccc(NCc2c(O)cccc2O)nc1 ZINC001655887664 1171736218 /nfs/dbraw/zinc/73/62/18/1171736218.db2.gz SPIYGWJQSIAJGL-UHFFFAOYSA-N 0 0 294.332 1.508 10 10 CDCERN Cc1nccc(C(=O)N2Cc3cccc(O)c3C2)n1 ZINC001587928051 1173005533 /nfs/dbraw/zinc/00/55/33/1173005533.db2.gz HVNBSSIPSUKYHD-UHFFFAOYSA-N 0 0 255.277 1.647 10 10 CDCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCS1 ZINC001588075917 1173010868 /nfs/dbraw/zinc/01/08/68/1173010868.db2.gz AMWPMVCOANGXNS-SECBINFHSA-N 0 0 267.350 1.604 10 10 CDCERN C[C@H](C[C@@H]1CCOC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001595816000 1174217789 /nfs/dbraw/zinc/21/77/89/1174217789.db2.gz YPCGZUDUYBVSEQ-PWSUYJOCSA-N 0 0 279.336 1.572 10 10 CDCERN Cn1nc(C(=O)NCc2c(O)cccc2F)cc1C=O ZINC001596916702 1174249720 /nfs/dbraw/zinc/24/97/20/1174249720.db2.gz KWYSFQZLWGDSFT-UHFFFAOYSA-N 0 0 277.255 1.007 10 10 CDCERN C=CC(=O)N(C)CC(=O)NCc1c(O)ccc2ccccc21 ZINC001597742945 1174288435 /nfs/dbraw/zinc/28/84/35/1174288435.db2.gz TUIATEHGXNPIST-UHFFFAOYSA-N 0 0 298.342 1.806 10 10 CDCERN Cc1oncc1CNC(=O)c1ccc(C)c(O)c1O ZINC001597828315 1174294295 /nfs/dbraw/zinc/29/42/95/1174294295.db2.gz PNUDQGXBWMKSPH-UHFFFAOYSA-N 0 0 262.265 1.633 10 10 CDCERN C[C@@H]1COCCN1CCN(C)c1ccc2c(c1)OCO2 ZINC000191596992 1184534678 /nfs/dbraw/zinc/53/46/78/1184534678.db2.gz QKPDHUQUNSYYJA-GFCCVEGCSA-N 0 0 278.352 1.572 10 10 CDCERN CCc1ncoc1C(=O)NCc1ccc(O)c(O)c1 ZINC001622664213 1165734054 /nfs/dbraw/zinc/73/40/54/1165734054.db2.gz LPIVJZVQSOIXPK-UHFFFAOYSA-N 0 0 262.265 1.578 10 10 CDCERN CC(C)c1nn(C)cc1C(=O)NCc1c(O)cccc1O ZINC001639289795 1166921047 /nfs/dbraw/zinc/92/10/47/1166921047.db2.gz WQOJCPPOFJLXOH-UHFFFAOYSA-N 0 0 289.335 1.885 10 10 CDCERN O=C(c1cccc(O)c1O)N1CCC(OCCCO)CC1 ZINC000790879953 828841489 /nfs/dbraw/zinc/84/14/89/828841489.db2.gz XZTKMVNUVQCBAZ-UHFFFAOYSA-N 0 0 295.335 1.101 10 10 CDCERN O=C(NCC[C@@H](O)C(F)(F)F)c1cccc(O)c1O ZINC000717279613 833004719 /nfs/dbraw/zinc/00/47/19/833004719.db2.gz ONPAZPWAXXVMNE-MRVPVSSYSA-N 0 0 279.214 1.141 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000808509930 833043563 /nfs/dbraw/zinc/04/35/63/833043563.db2.gz XSFTWKQXZMOOQW-VIFPVBQESA-N 0 0 266.268 1.706 10 10 CDCERN C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703259164 833067636 /nfs/dbraw/zinc/06/76/36/833067636.db2.gz UAQVVYBENQPGLI-GMSGAONNSA-N 0 0 270.279 1.427 10 10 CDCERN CCNC(=O)CCCC(=O)NCc1c(O)cccc1F ZINC000928710361 828853160 /nfs/dbraw/zinc/85/31/60/828853160.db2.gz CDRXKYRFWIBDDK-UHFFFAOYSA-N 0 0 282.315 1.454 10 10 CDCERN C[C@H]1CCCN1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000184861608 828857732 /nfs/dbraw/zinc/85/77/32/828857732.db2.gz NGAQFMAOYOPYAB-LBPRGKRZSA-N 0 0 297.424 1.571 10 10 CDCERN COC(=O)COc1ccc(N(C)Cc2ncccn2)cc1 ZINC000192175704 828893399 /nfs/dbraw/zinc/89/33/99/828893399.db2.gz CMXPUSMGGZXBLU-UHFFFAOYSA-N 0 0 287.319 1.665 10 10 CDCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2COCCOC2)c1 ZINC000813879580 828925340 /nfs/dbraw/zinc/92/53/40/828925340.db2.gz NXCIBZFKBIQLTP-JTQLQIEISA-N 0 0 295.335 1.245 10 10 CDCERN CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NC ZINC000834913616 833348185 /nfs/dbraw/zinc/34/81/85/833348185.db2.gz QGHHJPUREKCXPU-LDYMZIIASA-N 0 0 281.312 1.476 10 10 CDCERN CC(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000869146107 829033041 /nfs/dbraw/zinc/03/30/41/829033041.db2.gz FNAZYXALPUHCPP-GFCCVEGCSA-N 0 0 296.754 1.673 10 10 CDCERN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969749 833351922 /nfs/dbraw/zinc/35/19/22/833351922.db2.gz ZHLUKDRHMNDTMO-KWBADKCTSA-N 0 0 279.340 1.949 10 10 CDCERN Cc1ccc(C(=O)NCc2cc(C(N)=O)co2)c(O)c1O ZINC000190758196 829048674 /nfs/dbraw/zinc/04/86/74/829048674.db2.gz FHZNSYYJMSEZKF-UHFFFAOYSA-N 0 0 290.275 1.028 10 10 CDCERN C[C@@H]1C(=O)N(C)CN1Cc1cc2c(cc1O)CCCC2 ZINC000842646442 829082200 /nfs/dbraw/zinc/08/22/00/829082200.db2.gz GTANOXCOMGVFNN-LLVKDONJSA-N 0 0 274.364 1.891 10 10 CDCERN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839159742 829100015 /nfs/dbraw/zinc/10/00/15/829100015.db2.gz PCBMGQXAUBNEIM-CYBMUJFWSA-N 0 0 289.734 1.504 10 10 CDCERN COc1cc(CN2CN(C)C(=O)[C@H]2C)c(O)cc1C ZINC000842648580 829116051 /nfs/dbraw/zinc/11/60/51/829116051.db2.gz XNIVYKGOXUSGAU-SNVBAGLBSA-N 0 0 264.325 1.329 10 10 CDCERN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1F ZINC000790921293 829304913 /nfs/dbraw/zinc/30/49/13/829304913.db2.gz FFQNXWRTESKXBL-SCZZXKLOSA-N 0 0 253.273 1.918 10 10 CDCERN COC(OC)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708455854 829375026 /nfs/dbraw/zinc/37/50/26/829375026.db2.gz ZMBIHNRFSFBOOU-ZETCQYMHSA-N 0 0 261.268 1.767 10 10 CDCERN CCn1nc(C)c(C(=O)OCC(=O)C(C)=O)c1Cl ZINC000808520950 829420779 /nfs/dbraw/zinc/42/07/79/829420779.db2.gz BFMVHIPBBXSLOM-UHFFFAOYSA-N 0 0 272.688 1.180 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(c1O)CCCC2 ZINC000808537101 829543090 /nfs/dbraw/zinc/54/30/90/829543090.db2.gz RSLXBWJOTLIGFW-UHFFFAOYSA-N 0 0 276.288 1.586 10 10 CDCERN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)nc(C)n1 ZINC000871203807 829575379 /nfs/dbraw/zinc/57/53/79/829575379.db2.gz HPONNSBWRUTQMX-UHFFFAOYSA-N 0 0 269.304 1.955 10 10 CDCERN C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000717426167 829825973 /nfs/dbraw/zinc/82/59/73/829825973.db2.gz ARKMVISRHJCVMK-LHLIQPBNSA-N 0 0 280.151 1.530 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@]12CCC[C@H]1OCC2 ZINC000872278195 829836999 /nfs/dbraw/zinc/83/69/99/829836999.db2.gz JARWNYUUFWAHFQ-DURLZJIISA-N 0 0 289.331 1.939 10 10 CDCERN CCNC(=O)CN(C)Cc1c(O)cc(C)cc1Cl ZINC000840909963 829869755 /nfs/dbraw/zinc/86/97/55/829869755.db2.gz COKKEYLIVGOJQW-UHFFFAOYSA-N 0 0 270.760 1.922 10 10 CDCERN COc1ccc(CNC(=O)CN2CC(C)(C)C2)c(O)c1 ZINC000848022568 829902864 /nfs/dbraw/zinc/90/28/64/829902864.db2.gz CZLXDSUFJNQIIQ-UHFFFAOYSA-N 0 0 278.352 1.359 10 10 CDCERN COc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)nn1C ZINC000775088520 829951694 /nfs/dbraw/zinc/95/16/94/829951694.db2.gz OFSBPHYTUFUNFT-GQCTYLIASA-N 0 0 289.291 1.492 10 10 CDCERN Cc1nnc(CNC(=O)NCc2c(O)cccc2F)s1 ZINC000921873278 830008823 /nfs/dbraw/zinc/00/88/23/830008823.db2.gz VCQCXPFIFPKXMA-UHFFFAOYSA-N 0 0 296.327 1.691 10 10 CDCERN O=C(CN1C(=O)Cc2ccccc21)NCc1ccccc1O ZINC000816912413 830028475 /nfs/dbraw/zinc/02/84/75/830028475.db2.gz WQMSWWMCYVUWHU-UHFFFAOYSA-N 0 0 296.326 1.598 10 10 CDCERN CN(C(=O)C1=CC(=O)CS1)[C@H]1CC[C@H](O)CC1 ZINC000784807610 830148035 /nfs/dbraw/zinc/14/80/35/830148035.db2.gz MVXWQLKVVLVVGW-KYZUINATSA-N 0 0 255.339 1.829 10 10 CDCERN CC(C)[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000840978043 830219545 /nfs/dbraw/zinc/21/95/45/830219545.db2.gz ZJGRZJRQAYAQDC-ZDUSSCGKSA-N 0 0 262.353 1.881 10 10 CDCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000922722799 830238942 /nfs/dbraw/zinc/23/89/42/830238942.db2.gz WJMWYNVAYPKZTF-SUHUHFCYSA-N 0 0 290.319 1.981 10 10 CDCERN NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000858249742 830376485 /nfs/dbraw/zinc/37/64/85/830376485.db2.gz VWPPBTVFJDGVPO-GVJMRKKJSA-N 0 0 254.717 1.399 10 10 CDCERN Nc1ccc(NC(=O)C(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000841135964 830524498 /nfs/dbraw/zinc/52/44/98/830524498.db2.gz HTQUYLBCBQLXKS-QIMFLAQGSA-N 0 0 287.363 1.902 10 10 CDCERN C[C@@H]1C[C@H](CO)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000831220155 830563912 /nfs/dbraw/zinc/56/39/12/830563912.db2.gz PFVJICPLPRBDGZ-KJGKVODESA-N 0 0 291.347 1.730 10 10 CDCERN Nc1ccc(NC(=O)C(=O)NCC[C@H]2CC2(F)F)cc1 ZINC000857098666 833633123 /nfs/dbraw/zinc/63/31/23/833633123.db2.gz KPTANYSALQSAAH-QMMMGPOBSA-N 0 0 283.278 1.369 10 10 CDCERN CC1(C)COC[C@H]1NC(=O)c1cccc(O)c1O ZINC000313062101 832080172 /nfs/dbraw/zinc/08/01/72/832080172.db2.gz JFTNSIXORZKIRZ-SNVBAGLBSA-N 0 0 251.282 1.253 10 10 CDCERN CCN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O ZINC000871199297 832081020 /nfs/dbraw/zinc/08/10/20/832081020.db2.gz VPTWDGATPBOWMR-LLVKDONJSA-N 0 0 274.320 1.103 10 10 CDCERN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CCC(=O)NC2)c1 ZINC000862756502 832283930 /nfs/dbraw/zinc/28/39/30/832283930.db2.gz ZGOGDESTASTACX-HNNXBMFYSA-N 0 0 276.336 1.233 10 10 CDCERN O=C(NCc1c(O)cccc1F)[C@@H]1CC12CCOCC2 ZINC000928704554 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CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)CC12CCC2 ZINC001630399139 1166204470 /nfs/dbraw/zinc/20/44/70/1166204470.db2.gz LZXNHEDFTACRTJ-LBPRGKRZSA-N 0 0 291.347 1.546 10 10 CDCERN COC(=O)c1coc(C(=O)NCc2cccc(O)c2O)c1 ZINC001633515588 1166428512 /nfs/dbraw/zinc/42/85/12/1166428512.db2.gz HODAYNKNUGDIPZ-UHFFFAOYSA-N 0 0 291.259 1.407 10 10 CDCERN C[C@@H](OCC1CC1)C(=O)NCc1cc(O)ccc1O ZINC001633595165 1166435794 /nfs/dbraw/zinc/43/57/94/1166435794.db2.gz KTPNNDKHNJVRKH-SECBINFHSA-N 0 0 265.309 1.529 10 10 CDCERN C[C@H]1SCCN(C(=O)Cc2ccc(O)c(O)c2)[C@H]1C ZINC001633626530 1166438228 /nfs/dbraw/zinc/43/82/28/1166438228.db2.gz XIXHAOKCTCGBIH-VHSXEESVSA-N 0 0 281.377 1.993 10 10 CDCERN C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001635762412 1166620096 /nfs/dbraw/zinc/62/00/96/1166620096.db2.gz YEQKZJJZQAAMBM-YPMHNXCESA-N 0 0 293.363 1.792 10 10 CDCERN CCC1(C(=O)NCc2cc(O)ccc2O)COC1 ZINC001637125697 1166726023 /nfs/dbraw/zinc/72/60/23/1166726023.db2.gz CIZALGUFTQIQCT-UHFFFAOYSA-N 0 0 251.282 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O=C(NCCc1ccc(O)c(O)c1)c1ncccc1F ZINC001595751383 1174214856 /nfs/dbraw/zinc/21/48/56/1174214856.db2.gz HTHRHOVYVMFTCT-UHFFFAOYSA-N 0 0 276.267 1.604 10 10 CDCERN O=C(COCC(F)(F)F)NCc1c(O)cccc1O ZINC001597573840 1174280626 /nfs/dbraw/zinc/28/06/26/1174280626.db2.gz HSJBNBOCJKRSNK-UHFFFAOYSA-N 0 0 279.214 1.293 10 10 CDCERN C/C(=C/c1cccnc1)C(=O)N(C)c1ccnn1C ZINC001617856678 1165611094 /nfs/dbraw/zinc/61/10/94/1165611094.db2.gz AUZLCTLADKDOCA-LUAWRHEFSA-N 0 0 256.309 1.881 10 10 CDCERN COc1cc(C(=O)NCc2ccc(O)cc2O)on1 ZINC001626837653 1165961514 /nfs/dbraw/zinc/96/15/14/1165961514.db2.gz BSAUMHRBMGALGX-UHFFFAOYSA-N 0 0 264.237 1.024 10 10 CDCERN CN(C)C(=O)/C=C/C(=O)NCCCSc1nccs1 ZINC001628326300 1166064084 /nfs/dbraw/zinc/06/40/84/1166064084.db2.gz STXKEKCPABCMIM-SNAWJCMRSA-N 0 0 299.421 1.386 10 10 CDCERN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001632957488 1166388374 /nfs/dbraw/zinc/38/83/74/1166388374.db2.gz KLVTZUZFEGXFAK-MNOVXSKESA-N 0 0 279.336 1.666 10 10 CDCERN C[C@H](NC(=O)c1ns[nH]c1=O)c1ccccc1O ZINC001635803383 1166624587 /nfs/dbraw/zinc/62/45/87/1166624587.db2.gz CZZDURXVMUEFRI-LURJTMIESA-N 0 0 265.294 1.440 10 10 CDCERN COc1cc(C)cnc1C(=O)NCc1cc(O)ccc1O ZINC001637126202 1166725933 /nfs/dbraw/zinc/72/59/33/1166725933.db2.gz OEPFGGVUTSKQHP-UHFFFAOYSA-N 0 0 288.303 1.740 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCC[C@H]1CCO ZINC001567896324 1169046715 /nfs/dbraw/zinc/04/67/15/1169046715.db2.gz NVXMDAZPIUWWDL-RYUDHWBXSA-N 0 0 279.336 1.308 10 10 CDCERN COc1ccc(CN[C@@H](C)c2nnnn2C)cc1C ZINC001648540917 1169138277 /nfs/dbraw/zinc/13/82/77/1169138277.db2.gz HLEHVEMOCRYBIA-JTQLQIEISA-N 0 0 261.329 1.378 10 10 CDCERN Nc1nc(Cl)ccc1C(=O)NCc1c(O)cccc1O ZINC001178912773 915686240 /nfs/dbraw/zinc/68/62/40/915686240.db2.gz XIFGKXOQZJUPLO-UHFFFAOYSA-N 0 0 293.710 1.658 10 10 CDCERN C[C@H](O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001183040485 918268339 /nfs/dbraw/zinc/26/83/39/918268339.db2.gz LXJXGUJUDBKTFN-DTWKUNHWSA-N 0 0 283.299 1.470 10 10 CDCERN 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CDCERN NC(=O)N=Nc1ccc(C(=O)N(CCCO)C2CC2)cc1 ZINC001295080507 954602109 /nfs/dbraw/zinc/60/21/09/954602109.db2.gz DZFNYQNMUBICSB-UHFFFAOYSA-N 0 0 290.323 1.836 10 10 CDCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001297563083 955050912 /nfs/dbraw/zinc/05/09/12/955050912.db2.gz VZCJSLIMJBGECG-VHSXEESVSA-N 0 0 297.351 1.006 10 10 CDCERN Cc1cc(O)c(CN2CC3(C2)CNC(=O)O3)cc1Cl ZINC001327825103 955064624 /nfs/dbraw/zinc/06/46/24/955064624.db2.gz XOATXLQGCCOOAO-UHFFFAOYSA-N 0 0 282.727 1.648 10 10 CDCERN CN(C)c1ccc(/C=C\C[NH2+]C[C@H](F)C(=O)[O-])cc1 ZINC001331995920 957390158 /nfs/dbraw/zinc/39/01/58/957390158.db2.gz QFCXUHKQHMQVSR-SCOBNMCVSA-N 0 0 266.316 1.778 10 10 CDCERN CN(C)c1ccc(CNC(=O)NCC2COC2)cc1F ZINC001334954023 959483249 /nfs/dbraw/zinc/48/32/49/959483249.db2.gz CZRXJKKVUPPYBA-UHFFFAOYSA-N 0 0 281.331 1.337 10 10 CDCERN CO[C@@H]1C[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001335290482 959685531 /nfs/dbraw/zinc/68/55/31/959685531.db2.gz XYNMMEDHWDDPTB-SVGQVSJJSA-N 0 0 267.672 1.850 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CCN(CCC(=O)OC)C(=O)Cc1ccc(O)c(O)c1 ZINC001543370462 967293199 /nfs/dbraw/zinc/29/31/99/967293199.db2.gz CGGSTDNWBXBLHS-UHFFFAOYSA-N 0 0 281.308 1.052 10 10 CDCERN CCN(C(=O)/C=C\c1cn(C)cn1)c1cccnc1 ZINC001352689552 967420383 /nfs/dbraw/zinc/42/03/83/967420383.db2.gz CSNSIFJWFKNIHP-SREVYHEPSA-N 0 0 256.309 1.881 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(CO)cc1 ZINC001452197284 968078656 /nfs/dbraw/zinc/07/86/56/968078656.db2.gz ABCOTUBUBSGVPG-UHFFFAOYSA-N 0 0 287.315 1.449 10 10 CDCERN CC(C)OCCCC(=O)NCc1c(O)cccc1O ZINC001472063062 968313467 /nfs/dbraw/zinc/31/34/67/968313467.db2.gz ABAQLHMZWBGISO-UHFFFAOYSA-N 0 0 267.325 1.919 10 10 CDCERN COc1ccc(N(C)C(=O)/C=C/c2cn(C)cn2)nc1 ZINC001537866713 969666515 /nfs/dbraw/zinc/66/65/15/969666515.db2.gz IKMVLZWJBNCJKC-QPJJXVBHSA-N 0 0 272.308 1.500 10 10 CDCERN CC(C)NC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001463728860 969748421 /nfs/dbraw/zinc/74/84/21/969748421.db2.gz KLMYLYGBCOLDIO-UHFFFAOYSA-N 0 0 291.311 1.103 10 10 CDCERN 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174701416 /nfs/dbraw/zinc/70/14/16/174701416.db2.gz GSOCNARGAILVDA-UHFFFAOYSA-N 0 0 264.329 1.259 10 10 CDCERN [NH3+][C@@H](CO)c1cc(F)cc(Br)c1[O-] ZINC000072199097 303449518 /nfs/dbraw/zinc/44/95/18/303449518.db2.gz YLBCILHVFHWKSV-ZETCQYMHSA-N 0 0 250.067 1.286 10 10 CDCERN Cc1nc([C@H]2CN(Cc3cccc(C)c3O)CCO2)n[nH]1 ZINC000180612220 329221320 /nfs/dbraw/zinc/22/13/20/329221320.db2.gz VZWRIUUWTXEFCD-CYBMUJFWSA-N 0 0 288.351 1.701 10 10 CDCERN CO[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1C ZINC000230211686 333315618 /nfs/dbraw/zinc/31/56/18/333315618.db2.gz BBWVQHHKVBJWAQ-SMDDNHRTSA-N 0 0 262.353 1.695 10 10 CDCERN CCOC(=O)[C@H](C)N[C@@H](C)c1cc(O)ccc1O ZINC000049368093 521211010 /nfs/dbraw/zinc/21/10/10/521211010.db2.gz WTXRKCSQYVHMDH-IUCAKERBSA-N 0 0 253.298 1.700 10 10 CDCERN CCOC(=O)c1cn(CC(=O)C(C)=O)nc1C(F)(F)F ZINC000289812712 521566276 /nfs/dbraw/zinc/56/62/76/521566276.db2.gz ZLQXRBAATOGPPO-UHFFFAOYSA-N 0 0 292.213 1.237 10 10 CDCERN CN(C)c1ccc(CN2CC(F)(F)C[C@@H]2CO)cc1 ZINC000364839886 522175852 /nfs/dbraw/zinc/17/58/52/522175852.db2.gz CULPSPXSSDIYOH-CYBMUJFWSA-N 0 0 270.323 1.955 10 10 CDCERN C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000265770835 524810546 /nfs/dbraw/zinc/81/05/46/524810546.db2.gz JSIPFMJICUWEED-NWDGAFQWSA-N 0 0 279.384 1.569 10 10 CDCERN COc1nnc(NC(=O)N(C)Cc2ccccc2O)s1 ZINC000276520406 525094757 /nfs/dbraw/zinc/09/47/57/525094757.db2.gz LDDKILRLOOQTIZ-UHFFFAOYSA-N 0 0 294.336 1.916 10 10 CDCERN Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2C)c(O)c1O ZINC000278480139 526202034 /nfs/dbraw/zinc/20/20/34/526202034.db2.gz KLKZKBKBGXDZIT-MWLCHTKSSA-N 0 0 265.309 1.561 10 10 CDCERN CNC(=O)c1cccnc1NCc1ccccc1O ZINC000774523629 575211571 /nfs/dbraw/zinc/21/15/71/575211571.db2.gz ITPPLNTZPQSFNC-UHFFFAOYSA-N 0 0 257.293 1.759 10 10 CDCERN COc1ccc(O)c(CNC(=O)N[C@@H]2CCOC[C@H]2C)c1 ZINC000764429062 575906690 /nfs/dbraw/zinc/90/66/90/575906690.db2.gz XJRDLQURTBUOSG-ZWNOBZJWSA-N 0 0 294.351 1.625 10 10 CDCERN CN1CN(Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000765635669 576046844 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1.461 10 10 CDCERN CCCS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416220 695066313 /nfs/dbraw/zinc/06/63/13/695066313.db2.gz MNLFYRGROHGSLJ-LBPRGKRZSA-N 0 0 298.408 1.603 10 10 CDCERN CCOc1cnc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871204451 695094024 /nfs/dbraw/zinc/09/40/24/695094024.db2.gz JZQVLNDMNWLOAR-UHFFFAOYSA-N 0 0 285.303 1.737 10 10 CDCERN COc1cccc(CNC(=O)c2cc(Cl)n(C)n2)c1O ZINC001545681895 1161980101 /nfs/dbraw/zinc/98/01/01/1161980101.db2.gz IBGMNBJSMNDBNT-UHFFFAOYSA-N 0 0 295.726 1.718 10 10 CDCERN NC(=O)c1cc(NCc2c(O)cccc2F)ncn1 ZINC001612950450 1165525188 /nfs/dbraw/zinc/52/51/88/1165525188.db2.gz OIMJLYVPZOWRDV-UHFFFAOYSA-N 0 0 262.244 1.032 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](O)C2)cc1 ZINC001621841567 1165708616 /nfs/dbraw/zinc/70/86/16/1165708616.db2.gz PFIQWSGLZLOZOD-JTQLQIEISA-N 0 0 262.269 1.056 10 10 CDCERN O=C(NCc1cc(Cl)ccc1O)c1ncccn1 ZINC001628680618 1166088581 /nfs/dbraw/zinc/08/85/81/1166088581.db2.gz OUDLVHSWPDLQMF-UHFFFAOYSA-N 0 0 263.684 1.766 10 10 CDCERN CCC[C@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001629978189 1166176050 /nfs/dbraw/zinc/17/60/50/1166176050.db2.gz KGIQMCWZZCHJOD-AWEZNQCLSA-N 0 0 267.325 1.308 10 10 CDCERN O=C(Cc1ccc(O)c(F)c1)NCc1ccc(O)c(O)c1 ZINC001630272840 1166195573 /nfs/dbraw/zinc/19/55/73/1166195573.db2.gz FLAJEPYQTZGKQE-UHFFFAOYSA-N 0 0 291.278 1.801 10 10 CDCERN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001631455258 1166277919 /nfs/dbraw/zinc/27/79/19/1166277919.db2.gz YQLGEGDZDKFRQG-UWVGGRQHSA-N 0 0 295.335 1.344 10 10 CDCERN CN(C)c1cc(C(=O)NCc2cc(O)ccc2O)ccn1 ZINC001633595010 1166435613 /nfs/dbraw/zinc/43/56/13/1166435613.db2.gz DPAVVVRYTDMTSZ-UHFFFAOYSA-N 0 0 287.319 1.489 10 10 CDCERN CN(C[C@H]1CCCOC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001633771748 1166448756 /nfs/dbraw/zinc/44/87/56/1166448756.db2.gz TVWKAOWBHCKPPS-GFCCVEGCSA-N 0 0 279.336 1.525 10 10 CDCERN COc1ccc(CNC(=O)c2nccnc2Cl)c(O)c1 ZINC001635043000 1166556758 /nfs/dbraw/zinc/55/67/58/1166556758.db2.gz ZLZDCIXHBMWGSI-UHFFFAOYSA-N 0 0 293.710 1.774 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccc2nonc2c1 ZINC001635847874 1166628236 /nfs/dbraw/zinc/62/82/36/1166628236.db2.gz VAQNAVMVTGHFEN-UHFFFAOYSA-N 0 0 285.259 1.564 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1nccn2ccnc12 ZINC001635847645 1166628559 /nfs/dbraw/zinc/62/85/59/1166628559.db2.gz QUKUCVOEZBMWCQ-UHFFFAOYSA-N 0 0 284.275 1.071 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1Cc2cncn2C1 ZINC001636047336 1166645237 /nfs/dbraw/zinc/64/52/37/1166645237.db2.gz DVWWUIMAAQIZSH-JRBALWBOSA-N 0 0 285.303 1.049 10 10 CDCERN COc1cccc(CNC(=O)c2cccnn2)c1O ZINC001636061028 1166648665 /nfs/dbraw/zinc/64/86/65/1166648665.db2.gz CABRGVQJVFPEED-UHFFFAOYSA-N 0 0 259.265 1.121 10 10 CDCERN CCOCCO[C@H](C)C(=O)NCc1cc(O)ccc1O ZINC001637122710 1166726287 /nfs/dbraw/zinc/72/62/87/1166726287.db2.gz NQBGYMPSNNVMBG-SNVBAGLBSA-N 0 0 283.324 1.156 10 10 CDCERN O=C(NCc1ccc2cccnc2c1O)c1cncnc1 ZINC001638573264 1166856989 /nfs/dbraw/zinc/85/69/89/1166856989.db2.gz PKKRQCVECBUBEA-UHFFFAOYSA-N 0 0 280.287 1.660 10 10 CDCERN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(F)F ZINC001638793249 1166873483 /nfs/dbraw/zinc/87/34/83/1166873483.db2.gz FNZDMMWXJAADLW-OHCKJTPYSA-N 0 0 257.236 1.881 10 10 CDCERN CON(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001640161527 1166999783 /nfs/dbraw/zinc/99/97/83/1166999783.db2.gz GERXIHJISQYPRJ-UHFFFAOYSA-N 0 0 293.327 1.462 10 10 CDCERN CCC(F)(F)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001640590620 1167037578 /nfs/dbraw/zinc/03/75/78/1167037578.db2.gz JGFGZLXVTINUCC-UHFFFAOYSA-N 0 0 259.252 1.802 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001640798220 1167051887 /nfs/dbraw/zinc/05/18/87/1167051887.db2.gz VHIZCHGDRNSMRH-IONNQARKSA-N 0 0 282.321 1.024 10 10 CDCERN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nccc(N)n1 ZINC001641421239 1167106284 /nfs/dbraw/zinc/10/62/84/1167106284.db2.gz HVZRNLKNMATRRL-ZCFIWIBFSA-N 0 0 264.310 1.317 10 10 CDCERN Cc1ccncc1C(=O)NCc1cccc(O)c1O ZINC001643812364 1167271961 /nfs/dbraw/zinc/27/19/61/1167271961.db2.gz GZFBCXLQFXYYDT-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@H]1COc2ccccc2C1 ZINC001643879639 1167276646 /nfs/dbraw/zinc/27/66/46/1167276646.db2.gz YLEJNAKKXVHSNO-CYBMUJFWSA-N 0 0 299.326 1.965 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cccc2[nH]cnc21 ZINC001643881954 1167277133 /nfs/dbraw/zinc/27/71/33/1167277133.db2.gz LROSZBMGXIMVOK-UHFFFAOYSA-N 0 0 283.287 1.904 10 10 CDCERN O=C(COc1ccsn1)NCc1cc(O)ccc1O ZINC001644754040 1167346523 /nfs/dbraw/zinc/34/65/23/1167346523.db2.gz OSRLVTHSYSAWRD-UHFFFAOYSA-N 0 0 280.305 1.250 10 10 CDCERN COc1cccc(CNC(=O)/C=C/c2ccncn2)c1O ZINC001566374243 1168263536 /nfs/dbraw/zinc/26/35/36/1168263536.db2.gz ZYHBHIUBVQIQMW-AATRIKPKSA-N 0 0 285.303 1.520 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cc(F)c[nH]c1=O ZINC001570463217 1170165190 /nfs/dbraw/zinc/16/51/90/1170165190.db2.gz JFZWXPDQALVDEP-UHFFFAOYSA-N 0 0 278.239 1.268 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1cccc2ncnn21 ZINC001651175645 1171297997 /nfs/dbraw/zinc/29/79/97/1171297997.db2.gz HJQNBBIMBZWXNJ-UHFFFAOYSA-N 0 0 284.275 1.071 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2CC(n3ccnc3)C2)cc1 ZINC001586300315 1172940493 /nfs/dbraw/zinc/94/04/93/1172940493.db2.gz HRWIQYPQPQJHGR-UHFFFAOYSA-N 0 0 298.306 1.743 10 10 CDCERN Cn1cnc2ccc(C(=O)NCc3cccc(O)c3O)nc21 ZINC001593739186 1174170888 /nfs/dbraw/zinc/17/08/88/1174170888.db2.gz IXKJHTFKMNVOBD-UHFFFAOYSA-N 0 0 298.302 1.310 10 10 CDCERN O=C(CC[C@H]1CCOC1)NCc1cc(O)ccc1O ZINC001593873469 1174173319 /nfs/dbraw/zinc/17/33/19/1174173319.db2.gz QEBAEWDKYGKCAL-JTQLQIEISA-N 0 0 265.309 1.531 10 10 CDCERN C[C@@]1(C(=O)NCc2cc(O)ccc2O)CC1(F)F ZINC001593882068 1174175128 /nfs/dbraw/zinc/17/51/28/1174175128.db2.gz QBSYMFHGJVMSIV-NSHDSACASA-N 0 0 257.236 1.759 10 10 CDCERN COCn1ccc(C(=O)NCc2ccccc2O)n1 ZINC001595793353 1174215895 /nfs/dbraw/zinc/21/58/95/1174215895.db2.gz UXIVLFMVMYOJBM-UHFFFAOYSA-N 0 0 261.281 1.123 10 10 CDCERN Cc1nc(N)nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000865481891 723085064 /nfs/dbraw/zinc/08/50/64/723085064.db2.gz XVGVUGZCPLRDQL-UHFFFAOYSA-N 0 0 276.319 1.579 10 10 CDCERN COc1nnc(NC(=O)NCc2ccccc2O)s1 ZINC000801746266 723094081 /nfs/dbraw/zinc/09/40/81/723094081.db2.gz NUXBTBWALCGXOO-UHFFFAOYSA-N 0 0 280.309 1.574 10 10 CDCERN CN(Cc1cnccn1)C(=O)c1cccc(O)c1O ZINC000193077468 723099816 /nfs/dbraw/zinc/09/98/16/723099816.db2.gz OROJDUBPNWGPBS-UHFFFAOYSA-N 0 0 259.265 1.160 10 10 CDCERN CO[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CCC1 ZINC000830531520 723109020 /nfs/dbraw/zinc/10/90/20/723109020.db2.gz JFXUXQSBFNKLBC-AWEZNQCLSA-N 0 0 279.336 1.572 10 10 CDCERN CCOCCNC(=S)N[C@@H](C)c1ccccc1O ZINC000865269193 723163414 /nfs/dbraw/zinc/16/34/14/723163414.db2.gz COBBJZZRDYFFNX-JTQLQIEISA-N 0 0 268.382 1.954 10 10 CDCERN C[C@H](CCNC(=O)N[C@@H](C)c1ccccc1O)[S@@](C)=O ZINC000868416122 723187997 /nfs/dbraw/zinc/18/79/97/723187997.db2.gz WMXISXSIZIYHNE-QZXWKGOOSA-N 0 0 298.408 1.910 10 10 CDCERN O=C(Nc1ccnc(CO)c1)c1cccc(O)c1O ZINC000790904910 723304500 /nfs/dbraw/zinc/30/45/00/723304500.db2.gz HERXLGVCBNCCGV-UHFFFAOYSA-N 0 0 260.249 1.237 10 10 CDCERN CC[C@@H](O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855223539 723367917 /nfs/dbraw/zinc/36/79/17/723367917.db2.gz BQABWSXXDSWTTR-GXTWGEPZSA-N 0 0 292.379 1.551 10 10 CDCERN CC(C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868085889 723404390 /nfs/dbraw/zinc/40/43/90/723404390.db2.gz CITRPJDYRKRVNS-NSHDSACASA-N 0 0 293.367 1.667 10 10 CDCERN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1ccccc1O ZINC000927152433 723411747 /nfs/dbraw/zinc/41/17/47/723411747.db2.gz UPYMAPWZTIHXFG-QWRGUYRKSA-N 0 0 272.352 1.729 10 10 CDCERN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccnn1C ZINC000868026243 723553918 /nfs/dbraw/zinc/55/39/18/723553918.db2.gz HILWHUPCAYFMML-JTQLQIEISA-N 0 0 258.325 1.422 10 10 CDCERN Cc1cc(CN2CCO[C@@H]([C@H](C)O)C2)ccc1N(C)C ZINC000839674340 723554732 /nfs/dbraw/zinc/55/47/32/723554732.db2.gz YFIUDNHQTARSIH-XJKSGUPXSA-N 0 0 278.396 1.643 10 10 CDCERN O=S(=O)(CC[C@H]1CCCO1)N1Cc2cccc(O)c2C1 ZINC000867690810 723592809 /nfs/dbraw/zinc/59/28/09/723592809.db2.gz NMLODUSDQJMRGQ-GFCCVEGCSA-N 0 0 297.376 1.607 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCCC2=O ZINC000815375947 723645008 /nfs/dbraw/zinc/64/50/08/723645008.db2.gz PEYCAHVDAHNNOG-UHFFFAOYSA-N 0 0 274.272 1.521 10 10 CDCERN CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000183977969 723684611 /nfs/dbraw/zinc/68/46/11/723684611.db2.gz SPSSQKZYVUCDHC-UHFFFAOYSA-N 0 0 287.319 1.489 10 10 CDCERN C[C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)O1 ZINC000850846846 1164441226 /nfs/dbraw/zinc/44/12/26/1164441226.db2.gz UNADGUMCBIPQKU-GWCFXTLKSA-N 0 0 291.351 1.281 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(Cl)cc(Cl)n1 ZINC000808534542 723145566 /nfs/dbraw/zinc/14/55/66/723145566.db2.gz PUCUMHFGNSMLPK-UHFFFAOYSA-N 0 0 276.075 1.703 10 10 CDCERN CC(=O)N[C@H](C(=O)NCc1c(O)cccc1F)C(C)(C)C ZINC000928705051 723150186 /nfs/dbraw/zinc/15/01/86/723150186.db2.gz CSKQBEUNNYDZHP-CYBMUJFWSA-N 0 0 296.342 1.698 10 10 CDCERN COC(=O)[C@@H](CF)NCc1ccc(OC)c(C)c1 ZINC000809776318 723344199 /nfs/dbraw/zinc/34/41/99/723344199.db2.gz AVTJLPBIRDQNDH-LLVKDONJSA-N 0 0 255.289 1.604 10 10 CDCERN CCN1CN(Cc2c(O)cccc2Cl)CC1=O ZINC000792195106 723444122 /nfs/dbraw/zinc/44/41/22/723444122.db2.gz DHUSEGDDZSFRLT-UHFFFAOYSA-N 0 0 254.717 1.667 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000811337973 723468381 /nfs/dbraw/zinc/46/83/81/723468381.db2.gz XDJBQFNRYJELTL-UHFFFAOYSA-N 0 0 276.288 1.672 10 10 CDCERN CCO[C@H](C(=O)OCC(=O)C(C)=O)C1CCCC1 ZINC000869888342 723641396 /nfs/dbraw/zinc/64/13/96/723641396.db2.gz ZEAGWOCSAMGOKT-LBPRGKRZSA-N 0 0 256.298 1.283 10 10 CDCERN C[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)CC(F)F ZINC000843049938 723672309 /nfs/dbraw/zinc/67/23/09/723672309.db2.gz ZBVUOQRCGLRGAG-MRVPVSSYSA-N 0 0 285.294 1.615 10 10 CDCERN CO[C@@]1(C)C[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000868789424 1164993210 /nfs/dbraw/zinc/99/32/10/1164993210.db2.gz PYSFDWVZKBMGIP-BHYNMZESSA-N 0 0 264.325 1.930 10 10 CDCERN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC(=O)N1 ZINC000871206028 1165278027 /nfs/dbraw/zinc/27/80/27/1165278027.db2.gz OXNLYQMZSNZXSC-BXKDBHETSA-N 0 0 274.320 1.149 10 10 CDCERN CNC(=O)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001615916006 1165559526 /nfs/dbraw/zinc/55/95/26/1165559526.db2.gz MSGHOHIBXACBTD-UHFFFAOYSA-N 0 0 291.311 1.105 10 10 CDCERN Cc1cnc(F)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001622664570 1165733955 /nfs/dbraw/zinc/73/39/55/1165733955.db2.gz YDFWTUCNYIYKGZ-UHFFFAOYSA-N 0 0 276.267 1.870 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NC1(CO)CCSCC1 ZINC001626258822 1165928550 /nfs/dbraw/zinc/92/85/50/1165928550.db2.gz VAHYADIOQFCKSP-UHFFFAOYSA-N 0 0 297.376 1.015 10 10 CDCERN Cc1nc(C(C)(C)NC(=O)Cc2ccc(O)c(O)c2)no1 ZINC001631713272 1166297812 /nfs/dbraw/zinc/29/78/12/1166297812.db2.gz HYNSSFHYGCTRHF-UHFFFAOYSA-N 0 0 291.307 1.383 10 10 CDCERN Cc1cc(O)c(CN2CCO[C@H]([C@@H](C)O)C2)cc1Cl ZINC000826123437 1166412781 /nfs/dbraw/zinc/41/27/81/1166412781.db2.gz NPSMIETZGGRGNT-YGRLFVJLSA-N 0 0 285.771 1.936 10 10 CDCERN CO[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001640431556 1167024824 /nfs/dbraw/zinc/02/48/24/1167024824.db2.gz KMEKPMWNNHGGPD-LBPRGKRZSA-N 0 0 279.336 1.668 10 10 CDCERN CC[C@H](COCC1CC1)NC(=O)Cc1ccc(O)c(O)c1 ZINC001641316180 1167095096 /nfs/dbraw/zinc/09/50/96/1167095096.db2.gz JDACQQOBCBFWNQ-CYBMUJFWSA-N 0 0 293.363 1.962 10 10 CDCERN COCc1cc(C(=O)NCc2cc(O)ccc2O)no1 ZINC001176747903 914239430 /nfs/dbraw/zinc/23/94/30/914239430.db2.gz DVQZIFZSUMACNV-UHFFFAOYSA-N 0 0 278.264 1.162 10 10 CDCERN CC(Cl)(Cl)C(=O)NCc1cc(O)ccc1O ZINC001176754415 914256331 /nfs/dbraw/zinc/25/63/31/914256331.db2.gz CGMSRLVBPPFKTJ-UHFFFAOYSA-N 0 0 264.108 1.908 10 10 CDCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)cnn1 ZINC001176755138 914262832 /nfs/dbraw/zinc/26/28/32/914262832.db2.gz MQZDNPIPBLKJML-UHFFFAOYSA-N 0 0 259.265 1.126 10 10 CDCERN CCCCS(=O)(=O)NCc1c(O)cccc1F ZINC000921452194 914934407 /nfs/dbraw/zinc/93/44/07/914934407.db2.gz HFNLXXBFTXQPIC-UHFFFAOYSA-N 0 0 261.318 1.751 10 10 CDCERN O=C(Cc1ccccc1CO)NCc1c(O)cccc1O ZINC001178911666 915681987 /nfs/dbraw/zinc/68/19/87/915681987.db2.gz OOXJNQDZAOQLLE-UHFFFAOYSA-N 0 0 287.315 1.449 10 10 CDCERN C[C@]1(C2CC2)COCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001180110323 916155211 /nfs/dbraw/zinc/15/52/11/916155211.db2.gz PWYKPKGPBRWRIQ-MRXNPFEDSA-N 0 0 291.347 1.668 10 10 CDCERN CN1CCO[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703215547 922677068 /nfs/dbraw/zinc/67/70/68/922677068.db2.gz VSFOLCUKASEDNT-SNVBAGLBSA-N 0 0 272.295 1.091 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000867302530 925615253 /nfs/dbraw/zinc/61/52/53/925615253.db2.gz QSIQSFBTCISFCQ-PRULPYPASA-N 0 0 293.363 1.959 10 10 CDCERN C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(F)cc1[O-] ZINC000842900646 937090400 /nfs/dbraw/zinc/09/04/00/937090400.db2.gz GHSKUMVUQPAZBC-JTQLQIEISA-N 0 0 278.331 1.943 10 10 CDCERN CO[C@@H](CCNC(=O)c1cccc(O)c1O)C(F)(F)F ZINC000787461217 929377531 /nfs/dbraw/zinc/37/75/31/929377531.db2.gz DZOFCXPJABAODT-VIFPVBQESA-N 0 0 293.241 1.795 10 10 CDCERN Cc1cncn1CC(=O)NCc1cc(C)ccc1O ZINC000862754231 929462396 /nfs/dbraw/zinc/46/23/96/929462396.db2.gz VFFNMWFKMWTFTF-UHFFFAOYSA-N 0 0 259.309 1.522 10 10 CDCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CCNC(=O)CC2)c1 ZINC000862755425 929465181 /nfs/dbraw/zinc/46/51/81/929465181.db2.gz SHUSMMKUYBDXGI-NSHDSACASA-N 0 0 276.336 1.233 10 10 CDCERN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1cncnc1 ZINC000788305895 929500636 /nfs/dbraw/zinc/50/06/36/929500636.db2.gz FOTZAMHWKHXPCW-SNVBAGLBSA-N 0 0 287.319 1.350 10 10 CDCERN CNC(=O)Cc1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558736 929570743 /nfs/dbraw/zinc/57/07/43/929570743.db2.gz UZIAUJCIQSKQQV-UHFFFAOYSA-N 0 0 290.392 1.650 10 10 CDCERN Cn1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001137215215 930644274 /nfs/dbraw/zinc/64/42/74/930644274.db2.gz QAMQTBGAAWJULJ-UHFFFAOYSA-N 0 0 260.293 1.295 10 10 CDCERN Cc1nc(CNC(=O)Cc2ccc(O)c(O)c2)[nH]c1C ZINC001137260469 931397609 /nfs/dbraw/zinc/39/76/09/931397609.db2.gz GSVRNGYWAIUUSK-UHFFFAOYSA-N 0 0 275.308 1.297 10 10 CDCERN COC[C@](C)(O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000824559343 931459392 /nfs/dbraw/zinc/45/93/92/931459392.db2.gz PSAISAGUEZONRM-CYBMUJFWSA-N 0 0 284.312 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NC(=O)N=Nc1ccc(C(=O)N2CCn3nccc32)cc1 ZINC001140258149 936693369 /nfs/dbraw/zinc/69/33/69/936693369.db2.gz VZBDSZJRXYEWIO-UHFFFAOYSA-N 0 0 284.279 1.706 10 10 CDCERN CCn1ncc(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001128704069 922295780 /nfs/dbraw/zinc/29/57/80/922295780.db2.gz CQFZMNRNJRAGSE-UHFFFAOYSA-N 0 0 292.686 1.740 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCSC1 ZINC001141457841 936875345 /nfs/dbraw/zinc/87/53/45/936875345.db2.gz XKMFLPMWSKMEJC-SNVBAGLBSA-N 0 0 267.350 1.652 10 10 CDCERN C[C@@H](NCc1cn[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC001168800866 927455722 /nfs/dbraw/zinc/45/57/22/927455722.db2.gz HNOYBIHHOSPXOL-GFCCVEGCSA-N 0 0 287.367 1.492 10 10 CDCERN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C2(CCC2)CO1 ZINC000846695322 932112677 /nfs/dbraw/zinc/11/26/77/932112677.db2.gz BYKOLQQYPSMDPN-LBPRGKRZSA-N 0 0 274.364 1.981 10 10 CDCERN C[N@@H+](Cc1ccccc1O)C[C@@H](O)C1(O)CCCC1 ZINC000929977893 933292962 /nfs/dbraw/zinc/29/29/62/933292962.db2.gz YDDAFFUBFYMNMK-CQSZACIVSA-N 0 0 265.353 1.490 10 10 CDCERN Oc1cccc2c1CN(c1nccn3cnnc13)C2 ZINC001163968748 939365525 /nfs/dbraw/zinc/36/55/25/939365525.db2.gz UKAJADQSYQUJOS-UHFFFAOYSA-N 0 0 253.265 1.350 10 10 CDCERN CCn1ncc(C)c1NC(=O)c1cccc(O)c1O ZINC001165765549 939577022 /nfs/dbraw/zinc/57/70/22/939577022.db2.gz HQTPNECDWOPPLU-UHFFFAOYSA-N 0 0 261.281 1.875 10 10 CDCERN CN(C)c1ccc(CNC(=O)COCC(F)F)cc1 ZINC001261788603 946279650 /nfs/dbraw/zinc/27/96/50/946279650.db2.gz CDMVOVRDVLGWLF-UHFFFAOYSA-N 0 0 272.295 1.651 10 10 CDCERN CN(C)c1ccc(CNC(=O)N2CC[C@@]23CCOC3)cc1 ZINC001325793068 954077208 /nfs/dbraw/zinc/07/72/08/954077208.db2.gz JJPVIHGRDCPVTL-INIZCTEOSA-N 0 0 289.379 1.827 10 10 CDCERN Cc1nc2ccnn2cc1C(=O)NCc1ccccc1O ZINC001294924710 954580475 /nfs/dbraw/zinc/58/04/75/954580475.db2.gz HVIPPTSQXOLRHJ-UHFFFAOYSA-N 0 0 282.303 1.673 10 10 CDCERN CCn1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1 ZINC001296246057 954833889 /nfs/dbraw/zinc/83/38/89/954833889.db2.gz JUJDWLZFFBFXRG-VIFPVBQESA-N 0 0 290.323 1.070 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[C@@H](O)C2)cc1 ZINC001297483013 955038308 /nfs/dbraw/zinc/03/83/08/955038308.db2.gz BZGXXRKPCHBLRY-BXKDBHETSA-N 0 0 290.323 1.740 10 10 CDCERN C[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2nccn21 ZINC001297924884 955095422 /nfs/dbraw/zinc/09/54/22/955095422.db2.gz WJYXFBUNJCFYDR-KOLCDFICSA-N 0 0 287.319 1.659 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1cnc(Cl)cn1 ZINC001298985983 955262254 /nfs/dbraw/zinc/26/22/54/955262254.db2.gz MYAFJHYJZYAUKZ-UHFFFAOYSA-N 0 0 293.710 1.400 10 10 CDCERN C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CC1(F)F ZINC001300962136 955921543 /nfs/dbraw/zinc/92/15/43/955921543.db2.gz JLGZFPDOFZEMME-GFCCVEGCSA-N 0 0 271.263 1.802 10 10 CDCERN COc1cc(CCNC(=O)c2cccc(O)c2O)ccn1 ZINC001302150747 955997283 /nfs/dbraw/zinc/99/72/83/955997283.db2.gz ZEQDGYBSNJZQRS-UHFFFAOYSA-N 0 0 288.303 1.474 10 10 CDCERN O=C([O-])[C@H](Cc1ncccn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC001346118213 964940801 /nfs/dbraw/zinc/94/08/01/964940801.db2.gz UQYAMIYSGJOGLV-ZDUSSCGKSA-N 0 0 299.330 1.197 10 10 CDCERN COC(OC)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001556502001 965053328 /nfs/dbraw/zinc/05/33/28/965053328.db2.gz BXLDFDHAJIJAQN-MRVPVSSYSA-N 0 0 294.311 1.586 10 10 CDCERN C[C@H](NC(=O)c1ccc(C(N)=O)o1)c1ccccc1O ZINC001557968390 965219620 /nfs/dbraw/zinc/21/96/20/965219620.db2.gz XJONJKUJJHOCOM-QMMMGPOBSA-N 0 0 274.276 1.575 10 10 CDCERN Cc1cccc(CCNC(=O)c2c(F)ccc(O)c2O)n1 ZINC001558975751 965382843 /nfs/dbraw/zinc/38/28/43/965382843.db2.gz OAKBBMHNRSIQQE-UHFFFAOYSA-N 0 0 290.294 1.913 10 10 CDCERN CCCNC(=O)CCCC(=O)NCc1cccc(O)c1O ZINC001347542409 965582364 /nfs/dbraw/zinc/58/23/64/965582364.db2.gz LYZBQHDFHPLIEL-UHFFFAOYSA-N 0 0 294.351 1.411 10 10 CDCERN Cc1nc[nH]c1CC(=O)NCc1ccc(N(C)C)cc1 ZINC001540494350 967142291 /nfs/dbraw/zinc/14/22/91/967142291.db2.gz MIUTYFCJESWRQS-UHFFFAOYSA-N 0 0 272.352 1.643 10 10 CDCERN COCCCN(CCOC)C(=O)Cc1ccc(O)c(O)c1 ZINC001542176102 967216191 /nfs/dbraw/zinc/21/61/91/967216191.db2.gz SCFCHBHVQLMBSA-UHFFFAOYSA-N 0 0 297.351 1.152 10 10 CDCERN CCc1nc[nH]c1C(=O)NCc1ccc(O)cc1O ZINC001451763954 968004250 /nfs/dbraw/zinc/00/42/50/968004250.db2.gz DGAYAFZOHXRWGB-UHFFFAOYSA-N 0 0 261.281 1.313 10 10 CDCERN CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CO1 ZINC001452777411 968176992 /nfs/dbraw/zinc/17/69/92/968176992.db2.gz OTWMDUKPIAJQQT-ZYHUDNBSSA-N 0 0 279.336 1.666 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CC1(F)F ZINC001453897260 968399731 /nfs/dbraw/zinc/39/97/31/968399731.db2.gz USEYRTYHBPGHIL-SECBINFHSA-N 0 0 271.263 1.802 10 10 CDCERN COc1ncccc1C(=O)NCc1c(O)cccc1F ZINC001456093725 968864444 /nfs/dbraw/zinc/86/44/44/968864444.db2.gz NPVXBRZDRQQNAA-UHFFFAOYSA-N 0 0 276.267 1.865 10 10 CDCERN Cc1ccc(C(=O)NCc2c(O)cccc2O)c(O)c1O ZINC001456238306 968913550 /nfs/dbraw/zinc/91/35/50/968913550.db2.gz YTGBHNJQWRBPBH-UHFFFAOYSA-N 0 0 289.287 1.747 10 10 CDCERN CCO[C@H](C(=O)NCc1cccc(O)c1O)[C@H]1CCOC1 ZINC001528771571 968926316 /nfs/dbraw/zinc/92/63/16/968926316.db2.gz QCFSMPUIIHVCML-FZMZJTMJSA-N 0 0 295.335 1.156 10 10 CDCERN CNC(=O)c1ccccc1N(C)C(=O)/C=C/c1cn(C)cn1 ZINC001537609436 969661045 /nfs/dbraw/zinc/66/10/45/969661045.db2.gz JADVWQJDFAEEKJ-CMDGGOBGSA-N 0 0 298.346 1.456 10 10 CDCERN O=C(NCc1ccnc(F)c1)NCc1ccccc1O ZINC001470952849 970383220 /nfs/dbraw/zinc/38/32/20/970383220.db2.gz SZBRRAOHYZQFPA-UHFFFAOYSA-N 0 0 275.283 1.926 10 10 CDCERN O=C(Cc1cncc(O)c1)NCc1c(O)cccc1F ZINC001471975787 970525926 /nfs/dbraw/zinc/52/59/26/970525926.db2.gz HMSUXASNARDLKL-UHFFFAOYSA-N 0 0 276.267 1.491 10 10 CDCERN Cc1onc(CO)c1C(=O)NCc1c(O)cccc1F ZINC001471975773 970526449 /nfs/dbraw/zinc/52/64/49/970526449.db2.gz GVTVNEVKRFJLJR-UHFFFAOYSA-N 0 0 280.255 1.250 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1c(F)ccnc1F ZINC001472063658 970556943 /nfs/dbraw/zinc/55/69/43/970556943.db2.gz PYZZYTWWYNYSSR-UHFFFAOYSA-N 0 0 280.230 1.701 10 10 CDCERN COCCCCN(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001570419448 1170155141 /nfs/dbraw/zinc/15/51/41/1170155141.db2.gz CLDMGGNTEKZEBA-UHFFFAOYSA-N 0 0 267.325 1.525 10 10 CDCERN Cc1c(O)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000014814200 361855338 /nfs/dbraw/zinc/85/53/38/361855338.db2.gz DKBPRYNCMDJTRD-UHFFFAOYSA-N 0 0 270.240 1.887 10 10 CDCERN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000066046886 348972775 /nfs/dbraw/zinc/97/27/75/348972775.db2.gz XKWOEYUEHLQOHY-UONOGXRCSA-N 0 0 285.347 1.888 10 10 CDCERN [NH3+][C@@H](CO)c1ccc(F)c(Br)c1[O-] ZINC000072199099 357534013 /nfs/dbraw/zinc/53/40/13/357534013.db2.gz QIXKLUVCBYHRCB-LURJTMIESA-N 0 0 250.067 1.286 10 10 CDCERN CO[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000293643420 370727163 /nfs/dbraw/zinc/72/71/63/370727163.db2.gz HTOCIAJCKWWTIM-WFASDCNBSA-N 0 0 293.363 1.962 10 10 CDCERN CNC(=O)c1cccnc1N(C)Cc1ccccc1O ZINC000302591581 364524810 /nfs/dbraw/zinc/52/48/10/364524810.db2.gz AENGHADXXSYZJJ-UHFFFAOYSA-N 0 0 271.320 1.783 10 10 CDCERN CC(=O)N1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000271204861 364973676 /nfs/dbraw/zinc/97/36/76/364973676.db2.gz VUFYHFVIHCIXIE-JTQLQIEISA-N 0 0 292.335 1.174 10 10 CDCERN C[C@H](O)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272717984 365362996 /nfs/dbraw/zinc/36/29/96/365362996.db2.gz YXHCZYFVSBZDLE-TZNOJPMFSA-N 0 0 291.347 1.730 10 10 CDCERN CC(=O)c1cc(F)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282212348 367777833 /nfs/dbraw/zinc/77/78/33/367777833.db2.gz OMULSTZSGPMZFK-VIFPVBQESA-N 0 0 294.326 1.396 10 10 CDCERN COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(C)ccc1O ZINC000245814183 376195255 /nfs/dbraw/zinc/19/52/55/376195255.db2.gz ZXDBZUGKFUEESB-OLZOCXBDSA-N 0 0 279.336 1.463 10 10 CDCERN O=C1COc2cc([N+](=O)[O-])c(N3CCCOCC3)cc2N1 ZINC000372014285 370445930 /nfs/dbraw/zinc/44/59/30/370445930.db2.gz WRVRGKIQUSJDGI-UHFFFAOYSA-N 0 0 293.279 1.152 10 10 CDCERN COC[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000105650294 390515757 /nfs/dbraw/zinc/51/57/57/390515757.db2.gz YWXDRIGSPMXFEX-SECBINFHSA-N 0 0 253.298 1.300 10 10 CDCERN CSCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000122592444 390904079 /nfs/dbraw/zinc/90/40/79/390904079.db2.gz MDMZLZHEDLBZGP-UHFFFAOYSA-N 0 0 255.339 1.510 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=COCCC1 ZINC000183429833 391264491 /nfs/dbraw/zinc/26/44/91/391264491.db2.gz DAJQBQWYZUIYGP-SNVBAGLBSA-N 0 0 277.320 1.839 10 10 CDCERN CN(C)c1ccc(CNc2cncc(C(N)=O)n2)cc1F ZINC000301525730 391277869 /nfs/dbraw/zinc/27/78/69/391277869.db2.gz PPKSPZRZWUDQSD-UHFFFAOYSA-N 0 0 289.314 1.393 10 10 CDCERN Cc1cc(C(=O)N(C)CCCO)c(C)n1-c1ccccn1 ZINC000281992137 391443114 /nfs/dbraw/zinc/44/31/14/391443114.db2.gz QYAOYAQSTRGZHW-UHFFFAOYSA-N 0 0 287.363 1.944 10 10 CDCERN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)[C@H]1CCCO1 ZINC000008906486 170358395 /nfs/dbraw/zinc/35/83/95/170358395.db2.gz GDPBKIYJQUJGLP-LLVKDONJSA-N 0 0 273.292 1.032 10 10 CDCERN Cc1cc(C(=O)CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000040449630 174265350 /nfs/dbraw/zinc/26/53/50/174265350.db2.gz BXFNNBAMMJYWRS-UHFFFAOYSA-N 0 0 273.288 1.998 10 10 CDCERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1O ZINC000126480445 260353149 /nfs/dbraw/zinc/35/31/49/260353149.db2.gz KRKFVWAVPJLNSY-GHMZBOCLSA-N 0 0 276.336 1.407 10 10 CDCERN CN(Cc1cccc(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000160202488 261208254 /nfs/dbraw/zinc/20/82/54/261208254.db2.gz IUXJFPAYXJWYLG-SNVBAGLBSA-N 0 0 273.329 1.150 10 10 CDCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162978046 261300673 /nfs/dbraw/zinc/30/06/73/261300673.db2.gz UWECCBGHGGDMCW-GFCCVEGCSA-N 0 0 291.351 1.154 10 10 CDCERN COC[C@@](C)(CCO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272576908 263007146 /nfs/dbraw/zinc/00/71/46/263007146.db2.gz DLMVSHVWPHSCRC-CSPWOOARSA-N 0 0 295.335 1.015 10 10 CDCERN CC[NH2+][C@H](CCN(C)c1ccc(OC)cc1)C(=O)[O-] ZINC000062528526 520186876 /nfs/dbraw/zinc/18/68/76/520186876.db2.gz WLDLVOYPYJOPOO-CYBMUJFWSA-N 0 0 266.341 1.584 10 10 CDCERN CC1(C)CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)O1 ZINC000279898845 520385908 /nfs/dbraw/zinc/38/59/08/520385908.db2.gz OTTCDBSWWHJJFB-LBPRGKRZSA-N 0 0 265.309 1.672 10 10 CDCERN CCOc1cccc(CN2CCS(=O)(=O)[C@H](C)C2)c1O ZINC000127896323 521341390 /nfs/dbraw/zinc/34/13/90/521341390.db2.gz VUBALGQWZSGWSO-LLVKDONJSA-N 0 0 299.392 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CC[S@@](=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575609 575919057 /nfs/dbraw/zinc/91/90/57/575919057.db2.gz IDPIKSJBFYSVEQ-ZRNGKTOUSA-N 0 0 286.353 1.720 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000765403801 576016811 /nfs/dbraw/zinc/01/68/11/576016811.db2.gz NXXOFFGFGNYGGC-MRVPVSSYSA-N 0 0 282.321 1.120 10 10 CDCERN Cc1nc(NCCc2ccc(O)c(O)c2)nc(N(C)C)n1 ZINC000768534829 576294340 /nfs/dbraw/zinc/29/43/40/576294340.db2.gz LHRNBQKQOUUSSJ-UHFFFAOYSA-N 0 0 289.339 1.312 10 10 CDCERN COc1ccc(N2CCN(c3cccnn3)CC2)cc1F ZINC000754025260 576874224 /nfs/dbraw/zinc/87/42/24/576874224.db2.gz BMWTYHMEWHAGTA-UHFFFAOYSA-N 0 0 288.326 1.951 10 10 CDCERN CO[C@]12CCC[C@@]1(NC(=O)c1cccc(O)c1O)CCO2 ZINC000928062353 618430780 /nfs/dbraw/zinc/43/07/80/618430780.db2.gz XFSZQLQCAKFZDY-CABCVRRESA-N 0 0 293.319 1.513 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cnnc(-c2ccccc2)c1 ZINC000811284609 618439129 /nfs/dbraw/zinc/43/91/29/618439129.db2.gz CEZIZFHDHAGWJI-UHFFFAOYSA-N 0 0 284.271 1.459 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CDCERN O=C(NCc1ccc(O)cc1O)[C@H]1COc2ccccc2C1 ZINC001639441092 1166939176 /nfs/dbraw/zinc/93/91/76/1166939176.db2.gz IQIRYGYCEIJDEA-CYBMUJFWSA-N 0 0 299.326 1.965 10 10 CDCERN COc1ccc(CNC(=O)c2coc(C=O)c2)c(O)c1 ZINC001639458651 1166942254 /nfs/dbraw/zinc/94/22/54/1166942254.db2.gz BDHTYCXBKUIPFA-UHFFFAOYSA-N 0 0 275.260 1.736 10 10 CDCERN Cc1ccc(O)c(CNC(=O)c2cncnc2C)c1 ZINC001641728828 1167132772 /nfs/dbraw/zinc/13/27/72/1167132772.db2.gz IUJZAGMDQBMRLJ-UHFFFAOYSA-N 0 0 257.293 1.729 10 10 CDCERN NS(=O)(=O)c1cc(CSc2nccs2)co1 ZINC001643656836 1167262001 /nfs/dbraw/zinc/26/20/01/1167262001.db2.gz RVKAOJVSVGIZFW-UHFFFAOYSA-N 0 0 276.364 1.676 10 10 CDCERN O=C(COc1ccsc1)NCc1cccc(O)c1O ZINC001643812344 1167271928 /nfs/dbraw/zinc/27/19/28/1167271928.db2.gz GGNFXJSYWXCLHY-UHFFFAOYSA-N 0 0 279.317 1.855 10 10 CDCERN O=C(NCc1cc(Cl)ccc1O)c1ns[nH]c1=O ZINC001644590644 1167329931 /nfs/dbraw/zinc/32/99/31/1167329931.db2.gz IYWSBNKZEGXTTH-UHFFFAOYSA-N 0 0 285.712 1.533 10 10 CDCERN 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O=C(NCc1c(O)cccc1O)c1cccc([N+](=O)[O-])c1 ZINC001652623097 1171458451 /nfs/dbraw/zinc/45/84/51/1171458451.db2.gz NOPBSEOMQHDNNZ-UHFFFAOYSA-N 0 0 288.259 1.936 10 10 CDCERN COc1ccc(CNC(=O)c2ccc(Cl)nn2)c(O)c1 ZINC001654516233 1171617579 /nfs/dbraw/zinc/61/75/79/1171617579.db2.gz KWKQIOARBYFZNR-UHFFFAOYSA-N 0 0 293.710 1.774 10 10 CDCERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(O)c1O ZINC000248721053 1181115749 /nfs/dbraw/zinc/11/57/49/1181115749.db2.gz GNUPEIYDVJMUBP-LERXQTSPSA-N 0 0 289.331 1.785 10 10 CDCERN C[C@@H](NC(=O)c1cccc(O)c1O)c1ccn(C)n1 ZINC001626192355 1163969580 /nfs/dbraw/zinc/96/95/80/1163969580.db2.gz IENCCTZENFBYJJ-MRVPVSSYSA-N 0 0 261.281 1.322 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001607566832 1164226819 /nfs/dbraw/zinc/22/68/19/1164226819.db2.gz LHBSXGXBOSYOOM-QWHCGFSZSA-N 0 0 291.347 1.668 10 10 CDCERN COC(=O)C1=CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000862659295 736380355 /nfs/dbraw/zinc/38/03/55/736380355.db2.gz QCWDPHUNNAVQTM-MRVPVSSYSA-N 0 0 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0 0 282.359 1.903 10 10 CDCERN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C(=O)NC ZINC000834915789 737826615 /nfs/dbraw/zinc/82/66/15/737826615.db2.gz ZXKNZAQHVSLNOK-HQJQHLMTSA-N 0 0 272.295 1.846 10 10 CDCERN CN(Cc1ccccc1O)C(=O)CN1CC(C)(C)C1 ZINC000816889354 737833223 /nfs/dbraw/zinc/83/32/23/737833223.db2.gz VHYVEEAURUXRKD-UHFFFAOYSA-N 0 0 262.353 1.692 10 10 CDCERN Cc1ccc(C(=O)NCC2(CF)CCOCC2)c(O)c1O ZINC000836830603 737869449 /nfs/dbraw/zinc/86/94/49/737869449.db2.gz NPIODLIIYFGQDB-UHFFFAOYSA-N 0 0 297.326 1.902 10 10 CDCERN CC(C)n1cc(C(=O)NCc2ccccc2O)nn1 ZINC000815833325 737976894 /nfs/dbraw/zinc/97/68/94/737976894.db2.gz IKZPDGRNUDUXSP-UHFFFAOYSA-N 0 0 260.297 1.495 10 10 CDCERN CCNC(=O)C[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000854393819 738036695 /nfs/dbraw/zinc/03/66/95/738036695.db2.gz QCBSETKVUJUEKD-SNVBAGLBSA-N 0 0 296.392 1.975 10 10 CDCERN COc1ccc(N2CCN(C(=O)c3cccnn3)CC2)cc1 ZINC000082320283 738043297 /nfs/dbraw/zinc/04/32/97/738043297.db2.gz NJGHMKNSFXURKS-UHFFFAOYSA-N 0 0 298.346 1.448 10 10 CDCERN O=C(NCc1c(O)cccc1F)[C@H](O)C1CCC1 ZINC000928706689 738071245 /nfs/dbraw/zinc/07/12/45/738071245.db2.gz VDLRJXYHBYJRPR-GFCCVEGCSA-N 0 0 253.273 1.309 10 10 CDCERN O=C1NC(=S)S/C1=C\c1cnn2ccccc12 ZINC000171735781 738207898 /nfs/dbraw/zinc/20/78/98/738207898.db2.gz CEFJZSZDJMFCFQ-UITAMQMPSA-N 0 0 261.331 1.823 10 10 CDCERN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000866767570 738228220 /nfs/dbraw/zinc/22/82/20/738228220.db2.gz UCYNZSHWYJMDPZ-OUJBWJOFSA-N 0 0 279.336 1.831 10 10 CDCERN C[C@@]12COC[C@H]1CN(C(=O)Cc1ccc(N)cc1)C2 ZINC000851646280 738309168 /nfs/dbraw/zinc/30/91/68/738309168.db2.gz STLXRSDFWDRWLD-IUODEOHRSA-N 0 0 260.337 1.306 10 10 CDCERN COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000802659176 738373298 /nfs/dbraw/zinc/37/32/98/738373298.db2.gz FJBWIDGCTYGVDE-VIFPVBQESA-N 0 0 263.696 1.282 10 10 CDCERN Cc1ccc(CN(CCO)C(=O)C2=CC(=O)CS2)o1 ZINC000796204975 738388175 /nfs/dbraw/zinc/38/81/75/738388175.db2.gz JWMOASGKGMTEOV-UHFFFAOYSA-N 0 0 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Cc1cnc2nc(C(=O)NCc3ccccc3O)nn2c1 ZINC001566374146 1168263586 /nfs/dbraw/zinc/26/35/86/1168263586.db2.gz VXEKTTDOGFDHGD-UHFFFAOYSA-N 0 0 283.291 1.068 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cnc2ccccc2n1 ZINC001652623114 1171458542 /nfs/dbraw/zinc/45/85/42/1171458542.db2.gz OEJKXYLQECKVKT-UHFFFAOYSA-N 0 0 295.298 1.971 10 10 CDCERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001652626565 1171458555 /nfs/dbraw/zinc/45/85/55/1171458555.db2.gz YUTORGVSXARBJF-KOLCDFICSA-N 0 0 277.320 1.719 10 10 CDCERN CNC(=O)NCC(=O)NCc1c(O)ccc2ccccc21 ZINC001652708294 1171467351 /nfs/dbraw/zinc/46/73/51/1171467351.db2.gz ABQPEEPZUAOBPS-UHFFFAOYSA-N 0 0 287.319 1.091 10 10 CDCERN C[C@@H](CO)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001583807444 1172782104 /nfs/dbraw/zinc/78/21/04/1172782104.db2.gz VMYHBDGZRJMEOB-NSHDSACASA-N 0 0 293.363 1.507 10 10 CDCERN O=C(NCc1ccccc1O)N[C@H]1CCn2ccnc21 ZINC001672958088 1173811654 /nfs/dbraw/zinc/81/16/54/1173811654.db2.gz VFZLQJLEBDDCIS-NSHDSACASA-N 0 0 272.308 1.533 10 10 CDCERN O=C(NCc1ccccc1O)c1cnc2c[nH]nc2c1 ZINC001595799740 1174216763 /nfs/dbraw/zinc/21/67/63/1174216763.db2.gz GUFWXJAUVQKRBZ-UHFFFAOYSA-N 0 0 268.276 1.594 10 10 CDCERN C[C@H]1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CCO1 ZINC001597817731 1174292224 /nfs/dbraw/zinc/29/22/24/1174292224.db2.gz RFBUCSZZRAJDTD-JQWIXIFHSA-N 0 0 279.336 1.572 10 10 CDCERN Cc1ccc(CNC(=O)c2cccc(O)c2O)nc1 ZINC000400889881 1186386369 /nfs/dbraw/zinc/38/63/69/1186386369.db2.gz AAUFEDLVHCJLNX-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000830140371 739232882 /nfs/dbraw/zinc/23/28/82/739232882.db2.gz AWQAZTLNGFRGLE-LLVKDONJSA-N 0 0 285.347 1.879 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000808500781 739304687 /nfs/dbraw/zinc/30/46/87/739304687.db2.gz AUKZYLUTBSMCHY-UHFFFAOYSA-N 0 0 271.250 1.280 10 10 CDCERN COCCOCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868144957 739444583 /nfs/dbraw/zinc/44/45/83/739444583.db2.gz FWJNBHBLEZYCML-NSHDSACASA-N 0 0 282.340 1.415 10 10 CDCERN 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774287516 /nfs/dbraw/zinc/28/75/16/774287516.db2.gz DICIMSJLDFXDNG-UHFFFAOYSA-N 0 0 272.304 1.985 10 10 CDCERN CC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(F)cc1[O-] ZINC000796938639 774295468 /nfs/dbraw/zinc/29/54/68/774295468.db2.gz QRADQQSWHROKSZ-GFCCVEGCSA-N 0 0 264.304 1.901 10 10 CDCERN CC[C@@](C)(CO)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000838207257 774383947 /nfs/dbraw/zinc/38/39/47/774383947.db2.gz GBAPXDZDWOQLOJ-AWEZNQCLSA-N 0 0 282.292 1.232 10 10 CDCERN Nc1ccc(NC(=O)C(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000927837050 774389537 /nfs/dbraw/zinc/38/95/37/774389537.db2.gz JWKGAUDJXDFTEF-MJVIPROJSA-N 0 0 287.363 1.760 10 10 CDCERN CC(=O)C(=O)COC(=O)C=C(C)c1ccc(F)cc1 ZINC000808509201 774813851 /nfs/dbraw/zinc/81/38/51/774813851.db2.gz SRNMCONHFCNBKO-CLFYSBASSA-N 0 0 264.252 1.930 10 10 CDCERN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)[C@H](C)O1 ZINC000868898360 774854135 /nfs/dbraw/zinc/85/41/35/774854135.db2.gz IRYCGZRPPFVDES-JFGNBEQYSA-N 0 0 264.325 1.757 10 10 CDCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000793041189 774885355 /nfs/dbraw/zinc/88/53/55/774885355.db2.gz LLYCPAVGRRWJRH-ZSHCYNCHSA-N 0 0 299.374 1.507 10 10 CDCERN CC[S@](=O)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703273668 774886303 /nfs/dbraw/zinc/88/63/03/774886303.db2.gz LZEQYUPTDACHKE-KRWDZBQOSA-N 0 0 263.309 1.529 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccn(C2CCCC2)n1 ZINC000808527712 774950224 /nfs/dbraw/zinc/95/02/24/774950224.db2.gz LCWBDWAYBRWCCN-UHFFFAOYSA-N 0 0 264.281 1.313 10 10 CDCERN CSc1cc(C)c(C(=O)OCC(=O)C(C)=O)o1 ZINC000853941382 774956926 /nfs/dbraw/zinc/95/69/26/774956926.db2.gz XXPNZHDJDSXKFV-UHFFFAOYSA-N 0 0 256.279 1.625 10 10 CDCERN Cc1nnc(CCN2CCOc3cc(N(C)C)ccc32)o1 ZINC000930127325 775020687 /nfs/dbraw/zinc/02/06/87/775020687.db2.gz OUOOFSMMCRDYOK-UHFFFAOYSA-N 0 0 288.351 1.886 10 10 CDCERN COC(=O)c1cnc(SC[C@H](O)C2CC2)s1 ZINC000840768406 775072103 /nfs/dbraw/zinc/07/21/03/775072103.db2.gz OAKSYQSDGACJMA-ZETCQYMHSA-N 0 0 259.352 1.793 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000850064088 775121599 /nfs/dbraw/zinc/12/15/99/775121599.db2.gz FVMCGBGBTGPVNQ-MRVPVSSYSA-N 0 0 262.261 1.325 10 10 CDCERN COc1ccc(N2CC[C@H](NC(=O)C3(O)CCC3)C2)cc1 ZINC000855225038 775242290 /nfs/dbraw/zinc/24/22/90/775242290.db2.gz HZVUUEVVNRJMPX-LBPRGKRZSA-N 0 0 290.363 1.305 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1COc2cc(C)c(C)cc21 ZINC000808545241 775308905 /nfs/dbraw/zinc/30/89/05/775308905.db2.gz TUWHXXCIYJDCRD-GFCCVEGCSA-N 0 0 276.288 1.481 10 10 CDCERN CCc1ccc(C(=O)OCC(=O)C(C)=O)cc1[N+](=O)[O-] ZINC000808522560 775471067 /nfs/dbraw/zinc/47/10/67/775471067.db2.gz HNWDQJDKJWXUPL-UHFFFAOYSA-N 0 0 279.248 1.472 10 10 CDCERN O=C(NC[C@H]1CCC2(CCC2)O1)c1cccc(O)c1O ZINC000711415105 775727692 /nfs/dbraw/zinc/72/76/92/775727692.db2.gz OAPPLRDRSBNKFQ-SNVBAGLBSA-N 0 0 277.320 1.929 10 10 CDCERN Cc1nn(C)c(C)c1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000871197970 775810829 /nfs/dbraw/zinc/81/08/29/775810829.db2.gz BUYNIWWWUPKNCM-UHFFFAOYSA-N 0 0 299.330 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366179632 /nfs/dbraw/zinc/17/96/32/366179632.db2.gz MLRVMLYPPNNGOK-UHFFFAOYSA-N 0 0 270.240 1.882 10 10 CDCERN Cc1cc(Cl)cc(CN(C)CCS(C)(=O)=O)c1O ZINC000179706132 357221952 /nfs/dbraw/zinc/22/19/52/357221952.db2.gz CZVYJXUBXDLXCS-UHFFFAOYSA-N 0 0 291.800 1.830 10 10 CDCERN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCCO1 ZINC000180650791 357279774 /nfs/dbraw/zinc/27/97/74/357279774.db2.gz AOKHILVUYXPJIR-MFPXTQHRSA-N 0 0 277.320 1.795 10 10 CDCERN Cc1ccc(C(=O)NC[C@H](O)C(C)C)c(O)c1O ZINC000182622688 357442852 /nfs/dbraw/zinc/44/28/52/357442852.db2.gz ZCGHPVNFJHTVRG-JTQLQIEISA-N 0 0 253.298 1.153 10 10 CDCERN Cc1cccc(C[NH2+]CC2(C)OCCCO2)c1O ZINC000190839123 358095144 /nfs/dbraw/zinc/09/51/44/358095144.db2.gz BKEKMQXIPGPJEE-UHFFFAOYSA-N 0 0 251.326 1.943 10 10 CDCERN COc1ccc(C)cc1N=Nc1c(C)[n-]n(C(N)=[NH2+])c1=O ZINC000111887718 359271568 /nfs/dbraw/zinc/27/15/68/359271568.db2.gz AJFGAWSAGZUGNK-QZAQEVDKSA-N 0 0 288.311 1.567 10 10 CDCERN CCN(CC)c1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1 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Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000527955572 393005696 /nfs/dbraw/zinc/00/56/96/393005696.db2.gz MQXRSXYEDWVIBY-CQDKDKBSSA-N 0 0 265.353 1.891 10 10 CDCERN CN(c1cc2c(cc1N)OCCO2)[C@H]1CCSC1 ZINC000037174403 173008893 /nfs/dbraw/zinc/00/88/93/173008893.db2.gz MCMANADMRKLYBU-VIFPVBQESA-N 0 0 266.366 1.982 10 10 CDCERN C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(F)cc1[O-] ZINC000091666770 260266355 /nfs/dbraw/zinc/26/63/55/260266355.db2.gz CYKSUDYYZMXHRH-ZYHUDNBSSA-N 0 0 268.332 1.513 10 10 CDCERN O=C(N[C@@H]1COc2ccccc21)c1cccc(O)c1O ZINC000126431935 260351677 /nfs/dbraw/zinc/35/16/77/260351677.db2.gz PAFGAVCUIHYQMP-LLVKDONJSA-N 0 0 271.272 1.961 10 10 CDCERN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])C(=O)NC(C)(C)C ZINC000135888287 264638863 /nfs/dbraw/zinc/63/88/63/264638863.db2.gz AAVISOIRFMNACU-SECBINFHSA-N 0 0 268.332 1.924 10 10 CDCERN CNC(=O)[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000182438069 329239554 /nfs/dbraw/zinc/23/95/54/329239554.db2.gz DSCIGRQMGDSPJN-GFCCVEGCSA-N 0 0 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/nfs/dbraw/zinc/98/63/60/617986360.db2.gz PHPNMFRYRLPAFR-IAQYHMDHSA-N 0 0 281.352 1.373 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000923425867 618331460 /nfs/dbraw/zinc/33/14/60/618331460.db2.gz JVDUHBRDJODTLO-NSHDSACASA-N 0 0 268.309 1.427 10 10 CDCERN COc1ccc(CN[C@H](C)C2N=NC(=O)N2C)cc1C ZINC000895183899 619436655 /nfs/dbraw/zinc/43/66/55/619436655.db2.gz MENZSRVDUCXZPN-SNVBAGLBSA-N 0 0 276.340 1.689 10 10 CDCERN CC1(CO)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897908229 621216886 /nfs/dbraw/zinc/21/68/86/621216886.db2.gz DPDQKCJPYISIRE-UHFFFAOYSA-N 0 0 293.344 1.767 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899627377 622335281 /nfs/dbraw/zinc/33/52/81/622335281.db2.gz NQMXOXYEBUZUNP-MFKMUULPSA-N 0 0 277.320 1.739 10 10 CDCERN CCC/C=C/[C@@H](O)C(=O)NCc1cc(OC)ccc1O ZINC000901130518 623886647 /nfs/dbraw/zinc/88/66/47/623886647.db2.gz JIXFPBTXOSTAEA-VBROQKIQSA-N 0 0 279.336 1.734 10 10 CDCERN Cn1[nH]c(=O)c2c1CN(C(=O)C1=CC(=O)CS1)CC2 ZINC000913030042 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Cn1nc(C(=O)NCc2cc(O)ccc2O)cc1C1CC1 ZINC001643882113 1167276520 /nfs/dbraw/zinc/27/65/20/1167276520.db2.gz NOQHQQPSHGTFMR-UHFFFAOYSA-N 0 0 287.319 1.639 10 10 CDCERN Cc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)co1 ZINC001567465589 1168784136 /nfs/dbraw/zinc/78/41/36/1168784136.db2.gz VKGDLRSIUKFAAD-QMMMGPOBSA-N 0 0 276.292 1.755 10 10 CDCERN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(C)C ZINC001570360664 1170142290 /nfs/dbraw/zinc/14/22/90/1170142290.db2.gz QHPWANSCXMEEDQ-XHDPSFHLSA-N 0 0 281.352 1.552 10 10 CDCERN Cn1cc(C(=O)NCc2ccc(O)cc2O)c(Cl)n1 ZINC001570462252 1170164933 /nfs/dbraw/zinc/16/49/33/1170164933.db2.gz LLHPBKYDOFKTRU-UHFFFAOYSA-N 0 0 281.699 1.415 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@@H]1CCCOC1 ZINC001585514525 1172905063 /nfs/dbraw/zinc/90/50/63/1172905063.db2.gz LSMJQQIJILEASD-NSHDSACASA-N 0 0 279.336 1.573 10 10 CDCERN O=C(c1ncc(Cl)cn1)N1Cc2cccc(O)c2C1 ZINC001587933345 1173005930 /nfs/dbraw/zinc/00/59/30/1173005930.db2.gz SCVSGRPFFLNLGT-UHFFFAOYSA-N 0 0 275.695 1.992 10 10 CDCERN C[C@@H](O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001595671380 1174211893 /nfs/dbraw/zinc/21/18/93/1174211893.db2.gz SACZOXSTZXKPQV-MRVPVSSYSA-N 0 0 264.285 1.350 10 10 CDCERN Cc1cc(CNC(=O)NCc2c(O)cccc2F)ncn1 ZINC001685980972 1174694999 /nfs/dbraw/zinc/69/49/99/1174694999.db2.gz MDZSEKMVOUEYGD-UHFFFAOYSA-N 0 0 290.298 1.629 10 10 CDCERN CCN(C[C@@H]1CCCO1)C(=O)c1cccc(O)c1O ZINC000126287215 1175450416 /nfs/dbraw/zinc/45/04/16/1175450416.db2.gz HNEKGRUDACMCCO-JTQLQIEISA-N 0 0 265.309 1.739 10 10 CDCERN Cc1nnc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000866100508 1164733578 /nfs/dbraw/zinc/73/35/78/1164733578.db2.gz YVKIHNIOUUFESC-UHFFFAOYSA-N 0 0 261.306 1.708 10 10 CDCERN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690566 1164854477 /nfs/dbraw/zinc/85/44/77/1164854477.db2.gz IULBUMIREIHDGV-ZANVPECISA-N 0 0 283.349 1.215 10 10 CDCERN CCN(CC)S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867834945 1164872338 /nfs/dbraw/zinc/87/23/38/1164872338.db2.gz WHIRPTCTTWPBCA-JTQLQIEISA-N 0 0 272.370 1.629 10 10 CDCERN C[C@@H](NS(=O)(=O)[C@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000867835085 1164872630 /nfs/dbraw/zinc/87/26/30/1164872630.db2.gz SEWBHMMKGDSFQT-UTUOFQBUSA-N 0 0 299.392 1.940 10 10 CDCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000861640655 782305847 /nfs/dbraw/zinc/30/58/47/782305847.db2.gz NLBXYTORXHSCIK-NWJSVONSSA-N 0 0 291.395 1.922 10 10 CDCERN COc1cccc(CNC(=O)/C=C/[C@H]2CCCO2)c1O ZINC000819397778 782308155 /nfs/dbraw/zinc/30/81/55/782308155.db2.gz FZERXQUWUXKAMX-ABZNLYFFSA-N 0 0 277.320 1.752 10 10 CDCERN COCCOCC(=O)NCc1ccc2cccnc2c1O ZINC000862028354 782529313 /nfs/dbraw/zinc/52/93/13/782529313.db2.gz WHSGYWGIAMJOLQ-UHFFFAOYSA-N 0 0 290.319 1.220 10 10 CDCERN C[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H](C)O1 ZINC000923614475 1165101861 /nfs/dbraw/zinc/10/18/61/1165101861.db2.gz JRMATIFXGHRRDL-VDDIYKPWSA-N 0 0 282.315 1.896 10 10 CDCERN C[C@H](NC(=O)[C@]1(N)CC1(F)F)c1ccccc1O ZINC000870988394 1165249705 /nfs/dbraw/zinc/24/97/05/1165249705.db2.gz 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/nfs/dbraw/zinc/24/18/10/780241810.db2.gz ZABKQZHLLRSCDH-JTQLQIEISA-N 0 0 296.348 1.869 10 10 CDCERN COCCC1CN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000819572001 780302157 /nfs/dbraw/zinc/30/21/57/780302157.db2.gz VNPJIZSGWRICOI-UHFFFAOYSA-N 0 0 265.309 1.515 10 10 CDCERN COC[C@H](CCNC(=O)c1c(F)ccc(O)c1O)OC ZINC000857302449 780306412 /nfs/dbraw/zinc/30/64/12/780306412.db2.gz RJZVEFBPHKLFBJ-QMMMGPOBSA-N 0 0 287.287 1.018 10 10 CDCERN O=C(c1c(F)ccc(O)c1O)N1CCC[C@](O)(C2CC2)C1 ZINC000857318057 780349267 /nfs/dbraw/zinc/34/92/67/780349267.db2.gz XOMNOCPIMQIEKP-OAHLLOKOSA-N 0 0 295.310 1.614 10 10 CDCERN CO[C@](C)(C(=O)OCC(=O)C(C)=O)c1ccccc1 ZINC000808515494 780651919 /nfs/dbraw/zinc/65/19/19/780651919.db2.gz HVPIRFCTJYUSON-AWEZNQCLSA-N 0 0 264.277 1.250 10 10 CDCERN COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000840401139 780822231 /nfs/dbraw/zinc/82/22/31/780822231.db2.gz ACFWHWKUQUMDKE-WDEREUQCSA-N 0 0 293.319 1.303 10 10 CDCERN CCC(CC)n1nc(C(=O)OCC(=O)C(C)=O)cc1C ZINC000808534506 780841513 /nfs/dbraw/zinc/84/15/13/780841513.db2.gz OQLBCYVUTZLZAC-UHFFFAOYSA-N 0 0 280.324 1.868 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cccnc1NC(C)C ZINC000808520922 780844895 /nfs/dbraw/zinc/84/48/95/780844895.db2.gz ARSPIOPJOGBJRL-UHFFFAOYSA-N 0 0 264.281 1.217 10 10 CDCERN [O-]c1c(C[NH2+][C@H]2CCC[C@H]2CO)ccc(F)c1F ZINC000703257752 780918327 /nfs/dbraw/zinc/91/83/27/780918327.db2.gz CUULNPUQVSUIHL-ONGXEEELSA-N 0 0 257.280 1.921 10 10 CDCERN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1c([O-])cccc1F ZINC000927139688 780956078 /nfs/dbraw/zinc/95/60/78/780956078.db2.gz AETBYDWWHNURJR-ZJUUUORDSA-N 0 0 290.342 1.868 10 10 CDCERN Cc1cc(CN2CCO[C@H]([C@H](C)O)C2)ccc1N(C)C ZINC000839674332 781008612 /nfs/dbraw/zinc/00/86/12/781008612.db2.gz YFIUDNHQTARSIH-BBRMVZONSA-N 0 0 278.396 1.643 10 10 CDCERN CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978196 781111556 /nfs/dbraw/zinc/11/15/56/781111556.db2.gz KIJLDVJOGHRPSE-FZMZJTMJSA-N 0 0 290.363 1.970 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cncc(C(F)(F)F)c1 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Cc1ccc(O)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000825202826 781828141 /nfs/dbraw/zinc/82/81/41/781828141.db2.gz WFXPTQSGEAGWDJ-DZGCQCFKSA-N 0 0 295.404 1.852 10 10 CDCERN COC[C@@H](CNC(=O)C(=O)Nc1ccc(N)cc1)C(C)C ZINC000927920590 781899882 /nfs/dbraw/zinc/89/98/82/781899882.db2.gz CVMABFAUEKELQB-LLVKDONJSA-N 0 0 293.367 1.242 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000808530365 783416023 /nfs/dbraw/zinc/41/60/23/783416023.db2.gz RXVSTGXTVKQECA-VHSXEESVSA-N 0 0 266.318 1.861 10 10 CDCERN O=C(c1c(F)ccc(O)c1O)N1CC2(C1)CCCOC2 ZINC000832104763 783553735 /nfs/dbraw/zinc/55/37/35/783553735.db2.gz OGPOOSLOTSUOFD-UHFFFAOYSA-N 0 0 281.283 1.490 10 10 CDCERN CC(C)(CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633344731 1166417075 /nfs/dbraw/zinc/41/70/75/1166417075.db2.gz WGLMFGGNVQSIGA-UHFFFAOYSA-N 0 0 264.285 1.350 10 10 CDCERN Cn1cc(C=O)cc1C(=O)NCc1cc(O)ccc1O ZINC001633598817 1166435253 /nfs/dbraw/zinc/43/52/53/1166435253.db2.gz CGUNXFGPVXOQKM-UHFFFAOYSA-N 0 0 274.276 1.179 10 10 CDCERN COC(=O)c1cc(C(=O)NCc2cc(C)ccc2O)no1 ZINC001641732788 1167132458 /nfs/dbraw/zinc/13/24/58/1167132458.db2.gz FKPKFYWARPJHPB-UHFFFAOYSA-N 0 0 290.275 1.405 10 10 CDCERN Cc1ccc(C(=O)Nc2nnn(C)c2C(F)F)c(O)c1O ZINC001646387791 1167836295 /nfs/dbraw/zinc/83/62/95/1167836295.db2.gz VYQGENJGACHTEK-UHFFFAOYSA-N 0 0 298.249 1.725 10 10 CDCERN Cc1ccc(C(=O)N[C@H]2CCC3(C2)OCCO3)c(O)c1O ZINC001566944397 1168477630 /nfs/dbraw/zinc/47/76/30/1168477630.db2.gz FVBQQWXIYBBOJD-JTQLQIEISA-N 0 0 293.319 1.432 10 10 CDCERN CO[C@@H](C(=O)NCc1c(O)cccc1O)C(C)C ZINC001647270541 1168509534 /nfs/dbraw/zinc/50/95/34/1168509534.db2.gz UIPOIICKXGXKIZ-GFCCVEGCSA-N 0 0 253.298 1.385 10 10 CDCERN C[C@](O)(CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000090286563 894121294 /nfs/dbraw/zinc/12/12/94/894121294.db2.gz PDKYPXSOMSZILY-LLVKDONJSA-N 0 0 280.151 1.532 10 10 CDCERN COc1cccc(NC(=O)c2cccc(O)c2O)n1 ZINC000706651644 895640396 /nfs/dbraw/zinc/64/03/96/895640396.db2.gz ARBBMVDHAGBREU-UHFFFAOYSA-N 0 0 260.249 1.754 10 10 CDCERN CNC(=O)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000184991629 899710144 /nfs/dbraw/zinc/71/01/44/899710144.db2.gz DXZVLUJWQFRCGL-UHFFFAOYSA-N 0 0 276.336 1.023 10 10 CDCERN COc1ccc(O)c(CNCc2nnc(C)s2)c1 ZINC000391808143 936660171 /nfs/dbraw/zinc/66/01/71/936660171.db2.gz DVLLIBHWUIXSLB-UHFFFAOYSA-N 0 0 265.338 1.851 10 10 CDCERN CC1(C)OC[C@H](CNC(=O)NCc2c(O)cccc2F)O1 ZINC000921898904 921063890 /nfs/dbraw/zinc/06/38/90/921063890.db2.gz IVXINAYHBSSRPM-VIFPVBQESA-N 0 0 298.314 1.482 10 10 CDCERN CC(C)N1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1=O ZINC000703330709 922687459 /nfs/dbraw/zinc/68/74/59/922687459.db2.gz YJPRIJJLQFLXBA-NSHDSACASA-N 0 0 284.306 1.769 10 10 CDCERN Cc1nccnc1CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001141483765 936881361 /nfs/dbraw/zinc/88/13/61/936881361.db2.gz HOPXHGRXPCCZJS-UHFFFAOYSA-N 0 0 287.319 1.098 10 10 CDCERN Nc1ccc(NC(=O)C(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000841135963 936976763 /nfs/dbraw/zinc/97/67/63/936976763.db2.gz HTQUYLBCBQLXKS-MGULZYLOSA-N 0 0 287.363 1.902 10 10 CDCERN 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1.650 10 10 CDCERN Cc1ccc(C(=O)N2CCCCCO2)c(O)c1O ZINC000788571204 929556471 /nfs/dbraw/zinc/55/64/71/929556471.db2.gz PXUFQYPQWVGCDO-UHFFFAOYSA-N 0 0 251.282 1.964 10 10 CDCERN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827977970 930275502 /nfs/dbraw/zinc/27/55/02/930275502.db2.gz DUFBTKWLSXBMFV-CABZTGNLSA-N 0 0 294.376 1.491 10 10 CDCERN Cc1cc(Cl)cc(CN2CC3(C2)CN(C)C(=O)O3)c1O ZINC000817416094 930529140 /nfs/dbraw/zinc/52/91/40/930529140.db2.gz ZXZORVGJJZDVAF-UHFFFAOYSA-N 0 0 296.754 1.990 10 10 CDCERN CO[C@@H]1C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823180875 931263975 /nfs/dbraw/zinc/26/39/75/931263975.db2.gz HGRDLXKMOQSKDO-VXGBXAGGSA-N 0 0 272.304 1.592 10 10 CDCERN CCc1cnc(CNC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001148475385 932714217 /nfs/dbraw/zinc/71/42/17/932714217.db2.gz KZWVNWDLAZPWGY-UHFFFAOYSA-N 0 0 292.360 1.976 10 10 CDCERN CCC1(CC(=O)OCC(=O)c2ccc(O)c(O)c2)COC1 ZINC000924342596 932785321 /nfs/dbraw/zinc/78/53/21/932785321.db2.gz HSLCSZLGNPADOF-UHFFFAOYSA-N 0 0 294.303 1.640 10 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937169255 /nfs/dbraw/zinc/16/92/55/937169255.db2.gz GDDVTSKNYNHEOF-ZETCQYMHSA-N 0 0 294.336 1.439 10 10 CDCERN Cc1cncc(CCNC(=O)Cc2ccc(N)cc2)n1 ZINC000851645855 927595488 /nfs/dbraw/zinc/59/54/88/927595488.db2.gz QDFYGIOJUVMRJQ-UHFFFAOYSA-N 0 0 270.336 1.269 10 10 CDCERN CCONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851919185 927660648 /nfs/dbraw/zinc/66/06/48/927660648.db2.gz OGSODGPDWAJCFH-LLVKDONJSA-N 0 0 279.340 1.525 10 10 CDCERN Nc1ccc(CC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000852837458 927890245 /nfs/dbraw/zinc/89/02/45/927890245.db2.gz JSGZECJRVVSDCF-UHFFFAOYSA-N 0 0 285.347 1.208 10 10 CDCERN [O-]c1c(F)cc(Cl)cc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853249132 927994002 /nfs/dbraw/zinc/99/40/02/927994002.db2.gz NKABGDXAOHWIBI-UHFFFAOYSA-N 0 0 286.734 1.359 10 10 CDCERN COCC1(C(=O)OCC(=O)C(C)=O)CCCCC1 ZINC000856992530 928648300 /nfs/dbraw/zinc/64/83/00/928648300.db2.gz RNNHNCBUYWBHNC-UHFFFAOYSA-N 0 0 256.298 1.285 10 10 CDCERN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000858494680 928873799 /nfs/dbraw/zinc/87/37/99/928873799.db2.gz MHAGWGBFQLMMSJ-NRPADANISA-N 0 0 268.744 1.960 10 10 CDCERN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(F)cc(F)c1[O-] ZINC000858522844 928878923 /nfs/dbraw/zinc/87/89/23/928878923.db2.gz IQPNJLOOTJEQEX-MWLCHTKSSA-N 0 0 286.322 1.652 10 10 CDCERN O=C(NCc1ccc2cccnc2c1O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000862027513 929369857 /nfs/dbraw/zinc/36/98/57/929369857.db2.gz VKQSWAUFFOIDQV-XJKCOSOUSA-N 0 0 298.342 1.982 10 10 CDCERN NC(=O)CCCC(=O)NCc1ccc2cccnc2c1O ZINC000862027926 929370317 /nfs/dbraw/zinc/37/03/17/929370317.db2.gz JXVXMCZDUKEABE-UHFFFAOYSA-N 0 0 287.319 1.212 10 10 CDCERN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1ccccc1O ZINC000862516183 929422121 /nfs/dbraw/zinc/42/21/21/929422121.db2.gz MHYZCEHSZHEPJL-JSGCOSHPSA-N 0 0 293.363 1.840 10 10 CDCERN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000862754756 929465199 /nfs/dbraw/zinc/46/51/99/929465199.db2.gz JBAGFYHMKNDTIJ-LLVKDONJSA-N 0 0 285.347 1.845 10 10 CDCERN 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ZINC001635804030 1166623947 /nfs/dbraw/zinc/62/39/47/1166623947.db2.gz NMXYNBPJOXVKOE-QMMMGPOBSA-N 0 0 273.292 1.310 10 10 CDCERN CO[C@@H](C(=O)NCc1c(O)cccc1O)C1CCCC1 ZINC001635847865 1166628458 /nfs/dbraw/zinc/62/84/58/1166628458.db2.gz UVJMDHIJIOQIFG-CQSZACIVSA-N 0 0 279.336 1.919 10 10 CDCERN C[C@H]1[C@H](CO)CCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001638965689 1166889309 /nfs/dbraw/zinc/88/93/09/1166889309.db2.gz JEZHLXRGSUISTK-JQWIXIFHSA-N 0 0 279.336 1.260 10 10 CDCERN Cn1cnc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001638987665 1166890415 /nfs/dbraw/zinc/89/04/15/1166890415.db2.gz OVTHCLFXRVRLEW-UHFFFAOYSA-N 0 0 294.742 1.779 10 10 CDCERN COc1ccc(CNC(=O)c2ccc(CO)nc2)c(O)c1 ZINC001639459110 1166942666 /nfs/dbraw/zinc/94/26/66/1166942666.db2.gz RBIJJUYLHXFZCD-UHFFFAOYSA-N 0 0 288.303 1.218 10 10 CDCERN O=C(Nc1cc(CO)cc(CO)c1)c1cccc(O)c1O ZINC001642554082 1167181223 /nfs/dbraw/zinc/18/12/23/1167181223.db2.gz WWAQQVSYSQEQFL-UHFFFAOYSA-N 0 0 289.287 1.335 10 10 CDCERN Cn1cccc(C(=O)N2Cc3cccc(O)c3C2)c1=O 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Cc1ccc(O)c(CNC(=O)c2cnc3c(c2)nnn3C)c1 ZINC001584983322 1172869096 /nfs/dbraw/zinc/86/90/96/1172869096.db2.gz JEWZJHQJMNIWFR-UHFFFAOYSA-N 0 0 297.318 1.307 10 10 CDCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F ZINC001585105797 1172877631 /nfs/dbraw/zinc/87/76/31/1172877631.db2.gz YMLURCQAXQWYON-ZCFIWIBFSA-N 0 0 263.215 1.707 10 10 CDCERN CC[C@H](C)[C@](C)(O)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001585993610 1172927632 /nfs/dbraw/zinc/92/76/32/1172927632.db2.gz QRFLYIWLFFLVHI-ZUZCIYMTSA-N 0 0 281.352 1.554 10 10 CDCERN CN(Cc1ccccc1O)C(=O)c1cccn2nnnc12 ZINC001588156421 1173014623 /nfs/dbraw/zinc/01/46/23/1173014623.db2.gz ZOQDTKULNLGRLV-UHFFFAOYSA-N 0 0 283.291 1.102 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1nnc2ccccn21 ZINC001596604332 1174242531 /nfs/dbraw/zinc/24/25/31/1174242531.db2.gz GMHCKCBCPDDKEO-UHFFFAOYSA-N 0 0 284.275 1.322 10 10 CDCERN C[C@H]1OCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C ZINC001596983488 1174252939 /nfs/dbraw/zinc/25/29/39/1174252939.db2.gz WJAHJEBODPIBEM-NXEZZACHSA-N 0 0 265.309 1.276 10 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Cn1nc(C(=O)NCc2ccc(O)cc2O)cc1Cl ZINC001626838311 1165961691 /nfs/dbraw/zinc/96/16/91/1165961691.db2.gz WHTFWHIBJFUNDX-UHFFFAOYSA-N 0 0 281.699 1.415 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCC[C@H]1CCOC1 ZINC001627674018 1166010044 /nfs/dbraw/zinc/01/00/44/1166010044.db2.gz VDZWTPIOZXJBDK-NSHDSACASA-N 0 0 279.336 1.573 10 10 CDCERN C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)c2ncnn21 ZINC000850352367 783615420 /nfs/dbraw/zinc/61/54/20/783615420.db2.gz SXLKBXZHZKOWIM-WCBMZHEXSA-N 0 0 288.307 1.508 10 10 CDCERN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C[C@H]1F ZINC000790921292 783619346 /nfs/dbraw/zinc/61/93/46/783619346.db2.gz FFQNXWRTESKXBL-PSASIEDQSA-N 0 0 253.273 1.918 10 10 CDCERN Cn1cc(CNCc2c(O)cccc2Cl)nn1 ZINC000389824407 783674133 /nfs/dbraw/zinc/67/41/33/783674133.db2.gz OEQCZWFOXPXKJO-UHFFFAOYSA-N 0 0 252.705 1.464 10 10 CDCERN NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000846046615 783813493 /nfs/dbraw/zinc/81/34/93/783813493.db2.gz KMMXPFRALJBXBX-KZCWHLCOSA-N 0 0 272.707 1.538 10 10 CDCERN C[C@@H]1CC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170220 783915665 /nfs/dbraw/zinc/91/56/65/783915665.db2.gz ZDQPGYJYACDRIK-ZYHUDNBSSA-N 0 0 274.320 1.955 10 10 CDCERN CS(=O)(=O)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703257990 784119957 /nfs/dbraw/zinc/11/99/57/784119957.db2.gz FRORQKTWVIFPHC-UHFFFAOYSA-N 0 0 279.308 1.195 10 10 CDCERN CNC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000789692577 784169931 /nfs/dbraw/zinc/16/99/31/784169931.db2.gz AIQMDAXXTFOVAH-UHFFFAOYSA-N 0 0 299.374 1.499 10 10 CDCERN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(F)cc1[O-] ZINC000090026557 784205105 /nfs/dbraw/zinc/20/51/05/784205105.db2.gz DKZVQADQMWZSGH-LDYMZIIASA-N 0 0 280.299 1.329 10 10 CDCERN CC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCO1 ZINC000817644475 784218948 /nfs/dbraw/zinc/21/89/48/784218948.db2.gz WGUMMCJHDHMDOK-NXEZZACHSA-N 0 0 265.309 1.785 10 10 CDCERN CC(C)(C)n1nnc(-c2nc(Cc3ccc(N)cc3)no2)n1 ZINC000854133717 784239339 /nfs/dbraw/zinc/23/93/39/784239339.db2.gz HSIWCUSEOWALMO-UHFFFAOYSA-N 0 0 299.338 1.651 10 10 CDCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](O)C2(C)C)cc1 ZINC000812313978 784717695 /nfs/dbraw/zinc/71/76/95/784717695.db2.gz USOWOQALDMQOGR-CQSZACIVSA-N 0 0 291.395 1.807 10 10 CDCERN COCCCOCC(=O)N1Cc2cccc(O)c2C1 ZINC000871202643 784761691 /nfs/dbraw/zinc/76/16/91/784761691.db2.gz DEMXMYXHQHKNNM-UHFFFAOYSA-N 0 0 265.309 1.288 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000808510974 784836953 /nfs/dbraw/zinc/83/69/53/784836953.db2.gz QKEGAAPTFXTQAF-LLVKDONJSA-N 0 0 297.351 1.115 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](C(F)F)C1 ZINC000801424445 784849300 /nfs/dbraw/zinc/84/93/00/784849300.db2.gz SBVAYXGFJLRAIK-DTRQGZQOSA-N 0 0 299.273 1.604 10 10 CDCERN C[C@@H](O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776240619 784954637 /nfs/dbraw/zinc/95/46/37/784954637.db2.gz ZQUVZIQPZGAPFG-NEPJUHHUSA-N 0 0 279.384 1.884 10 10 CDCERN Cc1ccc(C(=O)N2CC[C@@H]2C(F)F)c(O)c1O ZINC000868604680 785372259 /nfs/dbraw/zinc/37/22/59/785372259.db2.gz WCBFPZUHNUAFIP-MRVPVSSYSA-N 0 0 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/nfs/dbraw/zinc/86/02/62/391860262.db2.gz UXSOXXKTZQPNAV-SNVBAGLBSA-N 0 0 273.279 1.603 10 10 CDCERN CCC[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 ZINC000021506932 171308523 /nfs/dbraw/zinc/30/85/23/171308523.db2.gz MXMWMGCLBOQZLS-SNVBAGLBSA-N 0 0 256.371 1.877 10 10 CDCERN CCCS(=O)(=O)CCCC(=O)Nc1ccc(N)cc1 ZINC000035320513 172123859 /nfs/dbraw/zinc/12/38/59/172123859.db2.gz XEYLQIJLYFUFCB-UHFFFAOYSA-N 0 0 284.381 1.812 10 10 CDCERN Cc1ccc(O)c(CN2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000093735590 327199403 /nfs/dbraw/zinc/19/94/03/327199403.db2.gz GPRSJYBKIMNXOR-UHFFFAOYSA-N 0 0 283.393 1.710 10 10 CDCERN Cc1noc([C@H]2COCCN2Cc2cc(F)ccc2O)n1 ZINC000188479516 329369186 /nfs/dbraw/zinc/36/91/86/329369186.db2.gz UDFRAKISLAJHDQ-GFCCVEGCSA-N 0 0 293.298 1.796 10 10 CDCERN CC[NH2+][C@@H](CCN(C)c1ccc(OC)cc1)C(=O)[O-] ZINC000062528524 520086756 /nfs/dbraw/zinc/08/67/56/520086756.db2.gz WLDLVOYPYJOPOO-ZDUSSCGKSA-N 0 0 266.341 1.584 10 10 CDCERN CCOC(=O)[C@H](C)NCc1ccc(OC)cc1O ZINC000049370658 521207748 /nfs/dbraw/zinc/20/77/48/521207748.db2.gz XFKOXDCPNLCLIN-VIFPVBQESA-N 0 0 253.298 1.442 10 10 CDCERN COC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000103361346 522173643 /nfs/dbraw/zinc/17/36/43/522173643.db2.gz QJLBDIUIEOEVLC-LLVKDONJSA-N 0 0 250.342 1.651 10 10 CDCERN COC(=O)CN(C)c1cc2c(cc1[N+](=O)[O-])NC(=O)CC2 ZINC000050069653 523151523 /nfs/dbraw/zinc/15/15/23/523151523.db2.gz JJCYBWNNMDXOET-UHFFFAOYSA-N 0 0 293.279 1.089 10 10 CDCERN COc1c([O-])c(C[NH2+][C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000774991151 575259107 /nfs/dbraw/zinc/25/91/07/575259107.db2.gz WMQWSYRLIBXMKS-QMMMGPOBSA-N 0 0 284.312 1.558 10 10 CDCERN Cc1cc(N(C)C)ccc1CNC(=O)c1cccn(C)c1=O ZINC000734402257 575342283 /nfs/dbraw/zinc/34/22/83/575342283.db2.gz KOJVDWHJAFDRKV-UHFFFAOYSA-N 0 0 299.374 1.690 10 10 CDCERN CN(C)c1ccc(CN(C)S(=O)(=O)N(C)C2CC2)cc1 ZINC000736323987 575623377 /nfs/dbraw/zinc/62/33/77/575623377.db2.gz BOGGRZAFKWIPAU-UHFFFAOYSA-N 0 0 297.424 1.523 10 10 CDCERN CCN(C)c1ccc(CN2CCOC[C@@H]2CCO)cc1 ZINC000773824246 575839816 /nfs/dbraw/zinc/83/98/16/575839816.db2.gz UGESCCOZVVHQQW-INIZCTEOSA-N 0 0 278.396 1.726 10 10 CDCERN O=C(N[C@@H]1CCc2[nH]cnc2C1)C1=CC(=O)CS1 ZINC000764898968 575963002 /nfs/dbraw/zinc/96/30/02/575963002.db2.gz ZGEHFPNEPNSNJX-SSDOTTSWSA-N 0 0 263.322 1.464 10 10 CDCERN COc1ncccc1N(C)C(=O)/C=C\c1cnn(C)c1 ZINC000737684463 576008015 /nfs/dbraw/zinc/00/80/15/576008015.db2.gz LKJLODDIONPKEU-SREVYHEPSA-N 0 0 272.308 1.500 10 10 CDCERN C[C@H](CCNC(=O)NCc1ccccc1O)[S@@](C)=O ZINC000765977420 576068205 /nfs/dbraw/zinc/06/82/05/576068205.db2.gz WNWCJXYAQHACII-GIGQVBGESA-N 0 0 284.381 1.349 10 10 CDCERN CNc1ncc(C(=O)NCc2cccc(OC)c2O)s1 ZINC000764102740 576780505 /nfs/dbraw/zinc/78/05/05/576780505.db2.gz USYZPYIDBLFPBQ-UHFFFAOYSA-N 0 0 293.348 1.829 10 10 CDCERN CC[S@](=O)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756573374 576996539 /nfs/dbraw/zinc/99/65/39/576996539.db2.gz APVPDSZAQAZOCK-FVINQWEUSA-N 0 0 299.392 1.598 10 10 CDCERN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cn[nH]c2)c1 ZINC000757645927 577047956 /nfs/dbraw/zinc/04/79/56/577047956.db2.gz FBSNUIFSNGDQHV-VIFPVBQESA-N 0 0 290.323 1.684 10 10 CDCERN COc1ccc(O)c(CNC(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000806811031 617359502 /nfs/dbraw/zinc/35/95/02/617359502.db2.gz RQEQMLXFIUSGAM-CABZTGNLSA-N 0 0 264.325 1.999 10 10 CDCERN CSc1ccc(O)c(C(=O)OCC(=O)C(C)=O)c1 ZINC000850291284 617497875 /nfs/dbraw/zinc/49/78/75/617497875.db2.gz OTPDVDCXZSPUOP-UHFFFAOYSA-N 0 0 268.290 1.429 10 10 CDCERN C[C@H](O)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000840978279 617986347 /nfs/dbraw/zinc/98/63/47/617986347.db2.gz MUQDUCPSZQBRJV-NHYWBVRUSA-N 0 0 282.359 1.473 10 10 CDCERN COC(=O)/C(C)=C/CNC(=O)C1=CC(=O)CS1 ZINC000927974437 618286261 /nfs/dbraw/zinc/28/62/61/618286261.db2.gz LWKLHQSIFBZFFH-XVNBXDOJSA-N 0 0 255.295 1.303 10 10 CDCERN CNC(=O)CC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919307 618417194 /nfs/dbraw/zinc/41/71/94/618417194.db2.gz GNKZBLVRTONECX-GFCCVEGCSA-N 0 0 291.395 1.244 10 10 CDCERN O=C(C1=CC(=O)CS1)N1C[C@H](O)CC(F)(F)C1 ZINC000788012158 618724533 /nfs/dbraw/zinc/72/45/33/618724533.db2.gz JHAJOVSHYXYCQS-SSDOTTSWSA-N 0 0 263.265 1.296 10 10 CDCERN CCN1CN(Cc2cc(C)cc(OC)c2O)CC1=O ZINC000894556067 618955967 /nfs/dbraw/zinc/95/59/67/618955967.db2.gz USUBREKBIHWZOU-UHFFFAOYSA-N 0 0 264.325 1.331 10 10 CDCERN COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000895250412 619495170 /nfs/dbraw/zinc/49/51/70/619495170.db2.gz JIHNHWJWCASZIW-CMPLNLGQSA-N 0 0 287.262 1.091 10 10 CDCERN COC(=O)[C@]1(O)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000895702856 619805462 /nfs/dbraw/zinc/80/54/62/619805462.db2.gz FWTFHRMXPGBSCN-ZDUSSCGKSA-N 0 0 285.727 1.155 10 10 CDCERN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(C)cc1O ZINC000895861907 619869726 /nfs/dbraw/zinc/86/97/26/619869726.db2.gz DOPUTPUTLCNJEZ-KBPBESRZSA-N 0 0 293.363 1.901 10 10 CDCERN CCn1ncc(C(=O)NCc2c(O)cccc2F)c1C ZINC000928709872 620506263 /nfs/dbraw/zinc/50/62/63/620506263.db2.gz MSZIOKGMRXFFDV-UHFFFAOYSA-N 0 0 277.299 1.986 10 10 CDCERN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000903259874 625936544 /nfs/dbraw/zinc/93/65/44/625936544.db2.gz KSXZXYLCUSBYKP-JEUQWKINSA-N 0 0 284.306 1.975 10 10 CDCERN O=C(NC[C@H]1COCO1)c1cc2cc(O)c(O)cc2s1 ZINC000910296461 629005732 /nfs/dbraw/zinc/00/57/32/629005732.db2.gz NMAXIXFEYQFJFS-QMMMGPOBSA-N 0 0 295.316 1.415 10 10 CDCERN C[C@H]1C[C@@H](CO)CN(C(=O)c2cccc(O)c2O)C1 ZINC000398783666 1158464738 /nfs/dbraw/zinc/46/47/38/1158464738.db2.gz POBGYDKXXVVNNT-VHSXEESVSA-N 0 0 265.309 1.188 10 10 CDCERN CS[C@H](C)CC(=O)NCc1c(O)cccc1O ZINC001652625337 1158592768 /nfs/dbraw/zinc/59/27/68/1158592768.db2.gz BTPCKKASJUNZJN-MRVPVSSYSA-N 0 0 255.339 1.856 10 10 CDCERN CCCOc1cccc(C(=O)OCC(=O)C(C)=O)c1 ZINC000808505739 1162867756 /nfs/dbraw/zinc/86/77/56/1162867756.db2.gz NNIGXLDMBGMORJ-UHFFFAOYSA-N 0 0 264.277 1.790 10 10 CDCERN CSc1cc(C(=O)OCC(=O)C(C)=O)ccn1 ZINC000808508035 1162867766 /nfs/dbraw/zinc/86/77/66/1162867766.db2.gz OXBNPZAPIGQBAW-UHFFFAOYSA-N 0 0 253.279 1.118 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000808517284 1162869066 /nfs/dbraw/zinc/86/90/66/1162869066.db2.gz WENISVGETULVDF-UHFFFAOYSA-N 0 0 271.272 1.997 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000808545451 1162874100 /nfs/dbraw/zinc/87/41/00/1162874100.db2.gz BMHFRJYQPWOSEK-CYBMUJFWSA-N 0 0 292.287 1.169 10 10 CDCERN CC(=O)Nc1ccc(C)c(C(=O)OCC(=O)C(C)=O)c1 ZINC000808539635 1162874513 /nfs/dbraw/zinc/87/45/13/1162874513.db2.gz GBCXPLQXLOSJSE-UHFFFAOYSA-N 0 0 277.276 1.268 10 10 CDCERN C[C@H]1C[C@H](S(=O)(=O)N2Cc3cccc(O)c3C2)CCO1 ZINC000867691254 1164854623 /nfs/dbraw/zinc/85/46/23/1164854623.db2.gz SWHVQANNOLWCFG-CMPLNLGQSA-N 0 0 297.376 1.605 10 10 CDCERN O=S(=O)(C[C@@H]1CCCCO1)N1Cc2cccc(O)c2C1 ZINC000867690591 1164855112 /nfs/dbraw/zinc/85/51/12/1164855112.db2.gz JWSUMMFFRGYCCV-LBPRGKRZSA-N 0 0 297.376 1.607 10 10 CDCERN CC(=O)N1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000869410590 1165061391 /nfs/dbraw/zinc/06/13/91/1165061391.db2.gz MJYOXGVDQAJHQP-ZDUSSCGKSA-N 0 0 276.336 1.328 10 10 CDCERN O=C(NCCO)c1cc2cc(O)c(O)cc2s1 ZINC001618293208 1165627650 /nfs/dbraw/zinc/62/76/50/1165627650.db2.gz JFBJUXJFXQEAHM-UHFFFAOYSA-N 0 0 253.279 1.035 10 10 CDCERN Cc1nocc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001622753146 1165737563 /nfs/dbraw/zinc/73/75/63/1165737563.db2.gz IRUZGZVMFWOVJT-UHFFFAOYSA-N 0 0 262.265 1.367 10 10 CDCERN CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F ZINC001628808050 1166097352 /nfs/dbraw/zinc/09/73/52/1166097352.db2.gz BSZIGTAVUGWXRE-SNVBAGLBSA-N 0 0 293.241 1.334 10 10 CDCERN Cc1n[nH]nc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001630644078 1166220224 /nfs/dbraw/zinc/22/02/24/1166220224.db2.gz ZLVWCGSLEKFTPW-UHFFFAOYSA-N 0 0 290.304 1.991 10 10 CDCERN O=C(Cc1cncs1)NCc1c(O)cccc1O ZINC001635846924 1166628138 /nfs/dbraw/zinc/62/81/38/1166628138.db2.gz DERHNXOOXLLPKP-UHFFFAOYSA-N 0 0 264.306 1.413 10 10 CDCERN CC(=O)CN(C(=O)Cc1ccc(O)c(O)c1)C(C)C ZINC001637594665 1166771435 /nfs/dbraw/zinc/77/14/35/1166771435.db2.gz WSMSTBJMWWHRSS-UHFFFAOYSA-N 0 0 265.309 1.466 10 10 CDCERN O=C(NCc1c(O)cccc1O)C1(O)CCCC1 ZINC001639292652 1166921824 /nfs/dbraw/zinc/92/18/24/1166921824.db2.gz LRODCCOHEOCDNL-UHFFFAOYSA-N 0 0 251.282 1.019 10 10 CDCERN Cc1[nH]c(C=O)cc1C(=O)NCc1ccc(O)cc1O ZINC001639444309 1166939445 /nfs/dbraw/zinc/93/94/45/1166939445.db2.gz GQDZJCFQGDVWHO-UHFFFAOYSA-N 0 0 274.276 1.477 10 10 CDCERN COC(=O)c1cc(NCc2c(O)cccc2O)ncn1 ZINC001640452493 1167025546 /nfs/dbraw/zinc/02/55/46/1167025546.db2.gz DAQKOPPNCIYBKY-UHFFFAOYSA-N 0 0 275.264 1.287 10 10 CDCERN C[C@@]1(O)C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001570453446 1170160879 /nfs/dbraw/zinc/16/08/79/1170160879.db2.gz MPGUWRWYNHCEPF-GSJFWJNXSA-N 0 0 276.296 1.492 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cnn2c1CCC2 ZINC001652626247 1171458111 /nfs/dbraw/zinc/45/81/11/1171458111.db2.gz ULHVWNXTPKXBIL-UHFFFAOYSA-N 0 0 273.292 1.171 10 10 CDCERN Cc1cc(O)ccc1CC(=O)NCc1cccc(O)c1O ZINC001593744732 1174170595 /nfs/dbraw/zinc/17/05/95/1174170595.db2.gz SKWJJQPEMPGQQG-UHFFFAOYSA-N 0 0 287.315 1.971 10 10 CDCERN C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2[O-])CCS1(=O)=O ZINC000310887581 1186676954 /nfs/dbraw/zinc/67/69/54/1186676954.db2.gz SWAFGMYNCCATAM-LDYMZIIASA-N 0 0 273.329 1.197 10 10 CDCERN CN(C)c1ccc(/C=C/CN2CCn3nncc3C2)cc1 ZINC000848922432 811885340 /nfs/dbraw/zinc/88/53/40/811885340.db2.gz RXIWKPVDRSDWOC-ONEGZZNKSA-N 0 0 283.379 1.873 10 10 CDCERN O=C(/C=C/c1cncc(O)c1)NCc1ccccc1O ZINC000779675745 812387979 /nfs/dbraw/zinc/38/79/79/812387979.db2.gz IPQODNGUPGRQBH-AATRIKPKSA-N 0 0 270.288 1.822 10 10 CDCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CC23CC3)c1 ZINC000819625995 813181263 /nfs/dbraw/zinc/18/12/63/813181263.db2.gz QPACKRHHLYDEBV-NSHDSACASA-N 0 0 296.348 1.046 10 10 CDCERN COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)C1=CC(=O)CS1 ZINC000924872244 805027784 /nfs/dbraw/zinc/02/77/84/805027784.db2.gz YXORESMPPCOXRQ-NXEZZACHSA-N 0 0 299.348 1.294 10 10 CDCERN Cc1cc(O)c(C[NH2+]C[C@H](O)[C@H](C)O)c(Cl)c1 ZINC000865737810 805042826 /nfs/dbraw/zinc/04/28/26/805042826.db2.gz FTAAJPFZARWCPS-UFBFGSQYSA-N 0 0 259.733 1.185 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H](C)Cn1ccc2ccccc21 ZINC000808549571 805133023 /nfs/dbraw/zinc/13/30/23/805133023.db2.gz HZDDHHIEACNLOC-NSHDSACASA-N 0 0 287.315 1.979 10 10 CDCERN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](C)C1=O ZINC000855580765 805207270 /nfs/dbraw/zinc/20/72/70/805207270.db2.gz ZOLXZEKHAGUTIM-JYBZGJHDSA-N 0 0 289.331 1.795 10 10 CDCERN CCO[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857311170 805212399 /nfs/dbraw/zinc/21/23/99/805212399.db2.gz PUBNOMDCDJBYOK-ZKCHVHJHSA-N 0 0 269.272 1.534 10 10 CDCERN COc1ccc(OC(C)(C)C(=O)OCC(=O)C(C)=O)cc1 ZINC000849871768 805351207 /nfs/dbraw/zinc/35/12/07/805351207.db2.gz UWIJGTCLVBOUPZ-UHFFFAOYSA-N 0 0 294.303 1.554 10 10 CDCERN COCCCCC(=O)NCc1c(O)cccc1F ZINC000928712561 805361152 /nfs/dbraw/zinc/36/11/52/805361152.db2.gz SSDDPBBNTKGGTJ-UHFFFAOYSA-N 0 0 255.289 1.964 10 10 CDCERN CN1CCN(C(=O)c2cccc(O)c2O)C(C)(C)C1 ZINC001636350279 1166671622 /nfs/dbraw/zinc/67/16/22/1166671622.db2.gz IVWISASGFKJFIL-UHFFFAOYSA-N 0 0 264.325 1.264 10 10 CDCERN CN(Cc1nncn1C)Cc1cc2c(cc1O)CCC2 ZINC000808218226 811166910 /nfs/dbraw/zinc/16/69/10/811166910.db2.gz UCRMVRBGVHIBLC-UHFFFAOYSA-N 0 0 272.352 1.641 10 10 CDCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388067 811245325 /nfs/dbraw/zinc/24/53/25/811245325.db2.gz GRGLWEJISSACDS-CHWSQXEVSA-N 0 0 278.308 1.694 10 10 CDCERN [O-]c1c(C[NH2+][C@H](CO)C2CCC2)ccc(F)c1F ZINC000717579678 811333104 /nfs/dbraw/zinc/33/31/04/811333104.db2.gz WDNXBXMSYSPNOH-LLVKDONJSA-N 0 0 257.280 1.921 10 10 CDCERN CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000398482082 811839367 /nfs/dbraw/zinc/83/93/67/811839367.db2.gz WVLQCTXTVULUFV-SNVBAGLBSA-N 0 0 268.744 1.614 10 10 CDCERN CN(C)C(=O)C1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000840957232 811890035 /nfs/dbraw/zinc/89/00/35/811890035.db2.gz KCMCBOYROAQNAM-WAYWQWQTSA-N 0 0 287.407 1.976 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](O)C(F)(F)C1 ZINC000855446042 812549077 /nfs/dbraw/zinc/54/90/77/812549077.db2.gz QJIBREPCIYAOFI-FXMSTWTQSA-N 0 0 299.273 1.340 10 10 CDCERN CC(=O)C(=O)COC(=O)c1oc(C2CC2)nc1C ZINC000808536054 812831634 /nfs/dbraw/zinc/83/16/34/812831634.db2.gz BOZGXXQGZOJHGV-UHFFFAOYSA-N 0 0 251.238 1.175 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)CN2CC(C)(C)C2)c1 ZINC000847591153 812838890 /nfs/dbraw/zinc/83/88/90/812838890.db2.gz QUKACIQPJHVGGJ-LLVKDONJSA-N 0 0 292.379 1.920 10 10 CDCERN O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC1 ZINC000795344200 812847838 /nfs/dbraw/zinc/84/78/38/812847838.db2.gz TYEZRMCKCCDRFT-UHFFFAOYSA-N 0 0 262.718 1.408 10 10 CDCERN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000841808149 812879762 /nfs/dbraw/zinc/87/97/62/812879762.db2.gz YZTCDPOCPHTLOI-AWEZNQCLSA-N 0 0 288.351 1.402 10 10 CDCERN CO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CCCC1 ZINC000830532250 813019349 /nfs/dbraw/zinc/01/93/49/813019349.db2.gz TXZUBPXQOIFRII-OAHLLOKOSA-N 0 0 293.363 1.962 10 10 CDCERN CO[C@H]1C[C@H](CC(=O)[O-])[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000846284007 813047868 /nfs/dbraw/zinc/04/78/68/813047868.db2.gz IPFLJCMXLJDAES-CABCVRRESA-N 0 0 292.379 1.817 10 10 CDCERN CC(=O)C(=O)COC(=O)c1csc(C(C)=O)c1 ZINC000815279865 813121419 /nfs/dbraw/zinc/12/14/19/813121419.db2.gz QJNNFFFNWUIUPX-UHFFFAOYSA-N 0 0 254.263 1.266 10 10 CDCERN COc1ccc(O)c(CNC(=O)c2cn3c(n2)CCC3)c1 ZINC000843831120 813302534 /nfs/dbraw/zinc/30/25/34/813302534.db2.gz MEZHCDOJIONTEK-UHFFFAOYSA-N 0 0 287.319 1.474 10 10 CDCERN CCO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)C1CC1 ZINC000863399415 813318850 /nfs/dbraw/zinc/31/88/50/813318850.db2.gz HOWZQBUQDTYQTH-ZDUSSCGKSA-N 0 0 285.365 1.949 10 10 CDCERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(F)cc1[O-] ZINC000090026560 813335580 /nfs/dbraw/zinc/33/55/80/813335580.db2.gz DKZVQADQMWZSGH-KWQFWETISA-N 0 0 280.299 1.329 10 10 CDCERN CC(=O)C(=O)COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000808533554 813365527 /nfs/dbraw/zinc/36/55/27/813365527.db2.gz QPBKHMLXPPSLFX-UHFFFAOYSA-N 0 0 269.341 1.341 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC000924424311 813497325 /nfs/dbraw/zinc/49/73/25/813497325.db2.gz XYGYPYLVSNZOQM-HNNXBMFYSA-N 0 0 276.288 1.394 10 10 CDCERN Cc1nnc(NNC(=S)Nc2ccccc2C)n1C ZINC000863205566 813528469 /nfs/dbraw/zinc/52/84/69/813528469.db2.gz IYODSZAXEYLDQI-UHFFFAOYSA-N 0 0 276.369 1.745 10 10 CDCERN CN(CC(=O)NC(C)(C)C)Cc1cc(F)ccc1O ZINC000179889634 813591473 /nfs/dbraw/zinc/59/14/73/813591473.db2.gz RNDHBTYUVZOXOO-UHFFFAOYSA-N 0 0 268.332 1.878 10 10 CDCERN NC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 ZINC000779484694 813806743 /nfs/dbraw/zinc/80/67/43/813806743.db2.gz FTHGUGFZHHQBIH-KXFIGUGUSA-N 0 0 299.286 1.244 10 10 CDCERN COc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H](OC)C2)c1 ZINC000830544180 813889890 /nfs/dbraw/zinc/88/98/90/813889890.db2.gz MGRLTWWVBLIMEG-CMPLNLGQSA-N 0 0 279.336 1.832 10 10 CDCERN COc1ccc(C(=O)OCC(=O)C(C)=O)c(OC(C)C)c1 ZINC000808540653 814200742 /nfs/dbraw/zinc/20/07/42/814200742.db2.gz ZNNCMASTWJMFCH-UHFFFAOYSA-N 0 0 294.303 1.797 10 10 CDCERN C[C@]12COC[C@@H]1CN(C(=O)Cc1ccc(N)cc1)C2 ZINC000851646282 814621579 /nfs/dbraw/zinc/62/15/79/814621579.db2.gz STLXRSDFWDRWLD-WFASDCNBSA-N 0 0 260.337 1.306 10 10 CDCERN CCn1nc(C(=O)N2Cc3cccc(O)c3C2)ccc1=O ZINC000871202617 814647474 /nfs/dbraw/zinc/64/74/74/814647474.db2.gz JVGLTAJQYNYBBR-UHFFFAOYSA-N 0 0 285.303 1.125 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)C2CCC2)c1 ZINC000827303637 816790070 /nfs/dbraw/zinc/79/00/70/816790070.db2.gz MHHYUICREVQIMN-OTYXRUKQSA-N 0 0 279.336 1.739 10 10 CDCERN O=C(NCc1ccc2cccnc2c1O)[C@H](O)C1CCC1 ZINC000862026463 816817183 /nfs/dbraw/zinc/81/71/83/816817183.db2.gz OZIKNADKQAOMKK-OAHLLOKOSA-N 0 0 286.331 1.718 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H](c1cccnc1)C(C)C ZINC000808548417 816819878 /nfs/dbraw/zinc/81/98/78/816819878.db2.gz XZNKSGLVMSGYFE-CYBMUJFWSA-N 0 0 263.293 1.523 10 10 CDCERN O=C(CCCCc1c[nH]nn1)N1Cc2cccc(O)c2C1 ZINC000871203774 816837346 /nfs/dbraw/zinc/83/73/46/816837346.db2.gz GLNRSCZXPCHARV-UHFFFAOYSA-N 0 0 286.335 1.766 10 10 CDCERN Cn1cnc(NC(=O)N2Cc3cccc(O)c3C2)n1 ZINC000931540863 816842567 /nfs/dbraw/zinc/84/25/67/816842567.db2.gz NXTODGIJXABMEC-UHFFFAOYSA-N 0 0 259.269 1.068 10 10 CDCERN CC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000873097070 816872266 /nfs/dbraw/zinc/87/22/66/816872266.db2.gz FTUDVKUFWZNOQG-UHFFFAOYSA-N 0 0 289.335 1.035 10 10 CDCERN Cc1cc(C(=O)NCc2c(O)cccc2F)no1 ZINC001638858633 1166879986 /nfs/dbraw/zinc/87/99/86/1166879986.db2.gz ZIAYASLCKIVELE-UHFFFAOYSA-N 0 0 250.229 1.758 10 10 CDCERN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000846050175 817055580 /nfs/dbraw/zinc/05/55/80/817055580.db2.gz ROBOAMWYCVCWPH-CYBMUJFWSA-N 0 0 289.734 1.816 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(OCC(F)F)ccn1 ZINC000808534133 817268588 /nfs/dbraw/zinc/26/85/88/817268588.db2.gz GLMVMORCCQDAON-UHFFFAOYSA-N 0 0 287.218 1.040 10 10 CDCERN Cc1nc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1C ZINC000867691019 817307042 /nfs/dbraw/zinc/30/70/42/817307042.db2.gz PVWCNGURFGFLSJ-UHFFFAOYSA-N 0 0 293.348 1.139 10 10 CDCERN COC[C@@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703307355 817646618 /nfs/dbraw/zinc/64/66/18/817646618.db2.gz IHSQQZKPYOGFPR-LBPRGKRZSA-N 0 0 261.268 1.157 10 10 CDCERN CN1C[C@@H](CC[NH2+]Cc2cccc(F)c2[O-])CC1=O ZINC000723590004 817666129 /nfs/dbraw/zinc/66/61/29/817666129.db2.gz RTVUOUMEYAUQFC-JTQLQIEISA-N 0 0 266.316 1.489 10 10 CDCERN C[C@@H]([NH2+]C1CC(C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000716741141 817719135 /nfs/dbraw/zinc/71/91/35/817719135.db2.gz NREUXOBQUDMCPS-ZNFPMYQNSA-N 0 0 252.289 1.446 10 10 CDCERN CC[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCO1 ZINC000831741491 817814190 /nfs/dbraw/zinc/81/41/90/817814190.db2.gz MMOLDGVJOMJPIF-KGLIPLIRSA-N 0 0 262.353 1.885 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000808506954 817827057 /nfs/dbraw/zinc/82/70/57/817827057.db2.gz VRNFZECNDPENSZ-UHFFFAOYSA-N 0 0 290.231 1.391 10 10 CDCERN CC[S@@](=O)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868266017 817838118 /nfs/dbraw/zinc/83/81/18/817838118.db2.gz MWWQTJCZJZZVLS-APBUJDDRSA-N 0 0 284.381 1.521 10 10 CDCERN CC1(C)COC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000825090944 817870371 /nfs/dbraw/zinc/87/03/71/817870371.db2.gz OHPSARXSLAYSJR-GFCCVEGCSA-N 0 0 266.297 1.815 10 10 CDCERN [O-]c1c(C[NH2+][C@@H]2CCN(C3CC3)C2)ccc(F)c1F ZINC000703255050 817910052 /nfs/dbraw/zinc/91/00/52/817910052.db2.gz DPDAPMHULNDBGO-SNVBAGLBSA-N 0 0 268.307 1.997 10 10 CDCERN COCc1nocc1C(=O)NCc1ccc(O)cc1O ZINC001643104448 1167226238 /nfs/dbraw/zinc/22/62/38/1167226238.db2.gz ZCLXGHPHGYWISY-UHFFFAOYSA-N 0 0 278.264 1.162 10 10 CDCERN CCOc1cnc(C(=O)NCc2cc(O)ccc2O)cn1 ZINC001176748638 914239874 /nfs/dbraw/zinc/23/98/74/914239874.db2.gz YGCFAZVXKCKRKG-UHFFFAOYSA-N 0 0 289.291 1.217 10 10 CDCERN Cc1nc(C)c(C(=O)NCc2ccc(O)cc2O)[nH]1 ZINC001142533596 908882764 /nfs/dbraw/zinc/88/27/64/908882764.db2.gz MMSJIXHTBAJMLB-UHFFFAOYSA-N 0 0 261.281 1.368 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001171451510 910745081 /nfs/dbraw/zinc/74/50/81/910745081.db2.gz LJABALAPYJBZTO-SQXIKUFJSA-N 0 0 289.331 1.180 10 10 CDCERN C[C@H](NC(=O)c1ccnc2c1nnn2C)c1ccccc1O ZINC001171729767 910904195 /nfs/dbraw/zinc/90/41/95/910904195.db2.gz HNDBUXFAZDZNMG-VIFPVBQESA-N 0 0 297.318 1.560 10 10 CDCERN Cc1nc(C)c(CNC(=O)Cc2ccc(N)cc2)o1 ZINC000389054783 936645553 /nfs/dbraw/zinc/64/55/53/936645553.db2.gz QSYAUGNCOYZCAL-UHFFFAOYSA-N 0 0 259.309 1.733 10 10 CDCERN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1nncn1C ZINC000703234622 922679102 /nfs/dbraw/zinc/67/91/02/922679102.db2.gz SWPTZETVNQPIAB-ZETCQYMHSA-N 0 0 268.267 1.650 10 10 CDCERN Nc1ccc(CCNC(=O)N2CCN(C3CC3)CC2)cc1 ZINC000841958262 937024838 /nfs/dbraw/zinc/02/48/38/937024838.db2.gz XILUVPGWWLXNQM-UHFFFAOYSA-N 0 0 288.395 1.301 10 10 CDCERN Cc1cn2c(n1)C[C@H](C(=O)NCc1ccccc1O)CC2 ZINC000860234780 929133730 /nfs/dbraw/zinc/13/37/30/929133730.db2.gz VFEIMMMKWWDMJI-GFCCVEGCSA-N 0 0 285.347 1.776 10 10 CDCERN COC[C@@]1(C)CN(Cc2c(O)cccc2OC)CCO1 ZINC000862551933 929425900 /nfs/dbraw/zinc/42/59/00/929425900.db2.gz QWLIZWJGHNJSLG-OAHLLOKOSA-N 0 0 281.352 1.638 10 10 CDCERN COc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001135569617 930265574 /nfs/dbraw/zinc/26/55/74/930265574.db2.gz FQBVFLTVPCGKBN-UHFFFAOYSA-N 0 0 287.315 1.965 10 10 CDCERN Cc1cc(N(C)C)ccc1CN1CC2(C1)CN(C)C(=O)O2 ZINC000817414631 930530241 /nfs/dbraw/zinc/53/02/41/930530241.db2.gz MWDKOEWZNWQCLC-UHFFFAOYSA-N 0 0 289.379 1.697 10 10 CDCERN O=S1(=O)CCN(Cc2cc(F)ccc2O)[C@H]2CCC[C@H]21 ZINC000825201706 931494644 /nfs/dbraw/zinc/49/46/44/931494644.db2.gz NBMCHQYQZLIGEC-GXTWGEPZSA-N 0 0 299.367 1.683 10 10 CDCERN C[C@H]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)O1 ZINC000688836038 934720183 /nfs/dbraw/zinc/72/01/83/934720183.db2.gz JQQJRYZIYFMJSF-SMDDNHRTSA-N 0 0 262.353 1.885 10 10 CDCERN CCN1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1=O ZINC000802530823 936049417 /nfs/dbraw/zinc/04/94/17/936049417.db2.gz DFLODBIEFKQQSD-GFCCVEGCSA-N 0 0 291.351 1.154 10 10 CDCERN C[C@@]12COC[C@]1(C)CN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001165718565 939575595 /nfs/dbraw/zinc/57/55/95/939575595.db2.gz SODIYCXSSXVFAC-IYBDPMFKSA-N 0 0 291.347 1.525 10 10 CDCERN CCc1n[nH]cc1C(=O)NCc1ccc(O)cc1O ZINC001299571121 945533689 /nfs/dbraw/zinc/53/36/89/945533689.db2.gz QMPCXMPFUYSTKT-UHFFFAOYSA-N 0 0 261.281 1.313 10 10 CDCERN O=C(NCc1cccc(Cl)c1O)NCc1ncccn1 ZINC001479212791 971267346 /nfs/dbraw/zinc/26/73/46/971267346.db2.gz DUPONMDAPFWGFW-UHFFFAOYSA-N 0 0 292.726 1.835 10 10 CDCERN COC(=O)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001290560959 954054998 /nfs/dbraw/zinc/05/49/98/954054998.db2.gz WWXKOVUBZYNMIT-ZETCQYMHSA-N 0 0 278.268 1.140 10 10 CDCERN O=C(c1ccnc2c1CC(=O)N2)N1CCc2cc(F)ccc21 ZINC001297005249 954933242 /nfs/dbraw/zinc/93/32/42/954933242.db2.gz FHNBNXKNVDWXBR-UHFFFAOYSA-N 0 0 297.289 1.918 10 10 CDCERN CCCN(C(=O)c1cccc(O)c1O)[C@H](C)C(=O)OCC ZINC001297139826 954971045 /nfs/dbraw/zinc/97/10/45/954971045.db2.gz HJJJBBSHYMQLFV-SNVBAGLBSA-N 0 0 295.335 1.902 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1cn[nH]c1 ZINC001298703133 955229937 /nfs/dbraw/zinc/22/99/37/955229937.db2.gz LZBCOVAKEOPXER-DUXPYHPUSA-N 0 0 273.292 1.193 10 10 CDCERN COc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)co1 ZINC001329028018 955637401 /nfs/dbraw/zinc/63/74/01/955637401.db2.gz XHJYCTMHAOIJKJ-MRVPVSSYSA-N 0 0 292.291 1.455 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1cnc2cnccc2c1 ZINC001303194662 956061497 /nfs/dbraw/zinc/06/14/97/956061497.db2.gz IBVYINIPKWSUSW-UHFFFAOYSA-N 0 0 295.298 1.971 10 10 CDCERN Oc1cccc2c1CN(C(=S)NC[C@H]1CCOC1)C2 ZINC001331940145 957351380 /nfs/dbraw/zinc/35/13/80/957351380.db2.gz QNRYTVWJUFJXMQ-SNVBAGLBSA-N 0 0 278.377 1.619 10 10 CDCERN Cc1noc(CCC(=O)N2Cc3cccc(O)c3C2)n1 ZINC001332201853 957476953 /nfs/dbraw/zinc/47/69/53/957476953.db2.gz LEOKCCLLIYYQNC-UHFFFAOYSA-N 0 0 273.292 1.559 10 10 CDCERN Cc1cc(CNC(=O)Cc2ccc(O)c(O)c2)cc(C)n1 ZINC001557078760 965140766 /nfs/dbraw/zinc/14/07/66/965140766.db2.gz IWLZESJJUQXCFF-UHFFFAOYSA-N 0 0 286.331 1.969 10 10 CDCERN C[C@H](NC(=O)[C@H](O)c1ccccn1)c1ccccc1O ZINC001557968399 965221115 /nfs/dbraw/zinc/22/11/15/965221115.db2.gz XXIAEORLEAEBSX-IINYFYTJSA-N 0 0 272.304 1.698 10 10 CDCERN CN(CC(=O)NCc1c(O)cccc1O)c1ccccc1 ZINC001558534247 965311278 /nfs/dbraw/zinc/31/12/78/965311278.db2.gz RCTWENDBEPZBTJ-UHFFFAOYSA-N 0 0 286.331 1.850 10 10 CDCERN CO[C@@H](CS(=O)(=O)NCc1cc(C)ccc1O)C1CC1 ZINC001348156659 965849148 /nfs/dbraw/zinc/84/91/48/965849148.db2.gz IWTZGYYKHIDNKP-AWEZNQCLSA-N 0 0 299.392 1.545 10 10 CDCERN C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C ZINC001348639525 966108321 /nfs/dbraw/zinc/10/83/21/966108321.db2.gz NDFAQDRQOWLYAA-GHMZBOCLSA-N 0 0 288.347 1.491 10 10 CDCERN Cc1ccnc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001542065119 967210274 /nfs/dbraw/zinc/21/02/74/967210274.db2.gz FITNRPOTTGEMLL-UHFFFAOYSA-N 0 0 258.277 1.982 10 10 CDCERN C[C@H](O)C[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001544328491 967352538 /nfs/dbraw/zinc/35/25/38/967352538.db2.gz ANOTZBOOHDLGKP-UWVGGRQHSA-N 0 0 292.339 1.986 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001545013800 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O=C(NCc1cc(O)ccc1O)c1cccc2ncnn21 ZINC001651225611 1171305730 /nfs/dbraw/zinc/30/57/30/1171305730.db2.gz QHMIRVYGUZITIU-UHFFFAOYSA-N 0 0 284.275 1.071 10 10 CDCERN CCO[C@@H](C(=O)NCc1c(O)cccc1O)[C@H]1CCOC1 ZINC001652628603 1171459106 /nfs/dbraw/zinc/45/91/06/1171459106.db2.gz HHKQXUPFHYAYOZ-IINYFYTJSA-N 0 0 295.335 1.156 10 10 CDCERN C[C@@H](C(=O)NCc1cc(O)ccc1O)C(F)(F)F ZINC001593873763 1174173757 /nfs/dbraw/zinc/17/37/57/1174173757.db2.gz ZUYIPLJIRMABKY-LURJTMIESA-N 0 0 263.215 1.912 10 10 CDCERN C[C@@H](C(=O)NCc1cc(O)ccc1O)c1cnn(C)c1 ZINC001593873449 1174173950 /nfs/dbraw/zinc/17/39/50/1174173950.db2.gz PSCHDUJHVMPPMJ-SECBINFHSA-N 0 0 275.308 1.251 10 10 CDCERN CCc1cccnc1C(=O)NCc1c(O)cccc1O ZINC001597573763 1174281090 /nfs/dbraw/zinc/28/10/90/1174281090.db2.gz FXHSIBZZGYQKBO-UHFFFAOYSA-N 0 0 272.304 1.985 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccnc(F)c1F ZINC001597574642 1174282368 /nfs/dbraw/zinc/28/23/68/1174282368.db2.gz PLTULEVQLZBNGC-UHFFFAOYSA-N 0 0 280.230 1.701 10 10 CDCERN CC[C@@H](O)[C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001597574790 1174282779 /nfs/dbraw/zinc/28/27/79/1174282779.db2.gz SXGYMFOKWYTGQS-PSASIEDQSA-N 0 0 253.298 1.121 10 10 CDCERN O=C1CC[C@H]2CN(Cc3cccc(F)c3O)CCN12 ZINC000160253091 1178367540 /nfs/dbraw/zinc/36/75/40/1178367540.db2.gz AWODZBZLZBSLEE-NSHDSACASA-N 0 0 264.300 1.338 10 10 CDCERN C[C@@H](NC(=O)NCC1(C)COC1)c1ccccc1O ZINC000868247164 1164925564 /nfs/dbraw/zinc/92/55/64/1164925564.db2.gz ZYCPVAGUOZAWPY-SNVBAGLBSA-N 0 0 264.325 1.789 10 10 CDCERN CC(C)(NC(=O)Cc1ccc(O)c(O)c1)c1ncc[nH]1 ZINC001624069038 1165817171 /nfs/dbraw/zinc/81/71/71/1165817171.db2.gz BRSQMGGSQLPDPM-UHFFFAOYSA-N 0 0 275.308 1.415 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1ccc([N+](=O)[O-])o1 ZINC001633507128 1166429012 /nfs/dbraw/zinc/42/90/12/1166429012.db2.gz DDFLPJKRVJCALY-UHFFFAOYSA-N 0 0 278.220 1.529 10 10 CDCERN O=C(CCc1cncnc1)NCc1c(O)cccc1O ZINC001635846773 1166627846 /nfs/dbraw/zinc/62/78/46/1166627846.db2.gz AWHICNYSGQBYIF-UHFFFAOYSA-N 0 0 273.292 1.137 10 10 CDCERN NC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001637126344 1166726624 /nfs/dbraw/zinc/72/66/24/1166726624.db2.gz UGASGXBNJNHXNN-NXEZZACHSA-N 0 0 292.335 1.006 10 10 CDCERN [O-]c1c(C[NH2+]CC[C@@]2(O)CCOC2)ccc(F)c1F ZINC000703276836 818058572 /nfs/dbraw/zinc/05/85/72/818058572.db2.gz ZNIWVGVDWMGQQA-CYBMUJFWSA-N 0 0 273.279 1.302 10 10 CDCERN COc1ccc(O)c([C@@H](C)NCc2nnnn2C(C)C)c1 ZINC000182464030 818090257 /nfs/dbraw/zinc/09/02/57/818090257.db2.gz SCMXTAMLLXEAAY-SNVBAGLBSA-N 0 0 291.355 1.819 10 10 CDCERN COC(=O)[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000850751203 818210753 /nfs/dbraw/zinc/21/07/53/818210753.db2.gz WGMMSCDBHHIHSN-WVSHTKLVSA-N 0 0 277.324 1.684 10 10 CDCERN O=S(=O)(CC1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000867691544 818269444 /nfs/dbraw/zinc/26/94/44/818269444.db2.gz ZMFSKBPACJTLNQ-UHFFFAOYSA-N 0 0 297.376 1.464 10 10 CDCERN COCc1n[nH]c(CNCc2c(O)cc(C)cc2Cl)n1 ZINC000850360459 818339482 /nfs/dbraw/zinc/33/94/82/818339482.db2.gz INLZBJXESQBIOC-UHFFFAOYSA-N 0 0 296.758 1.908 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1.800 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC(C)(O)C1 ZINC000828885187 819216457 /nfs/dbraw/zinc/21/64/57/819216457.db2.gz XUHHSYKKZHHSSV-IWPPJYEWSA-N 0 0 279.336 1.306 10 10 CDCERN CN(C[C@@H]1COCCO1)c1ccc2c(c1)OCO2 ZINC000828498865 819267109 /nfs/dbraw/zinc/26/71/09/819267109.db2.gz GQDVWGNREIKIDC-LLVKDONJSA-N 0 0 251.282 1.267 10 10 CDCERN CC(=O)C(=O)COC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000924323460 819272645 /nfs/dbraw/zinc/27/26/45/819272645.db2.gz NMENGWRDHSLGDY-SCZZXKLOSA-N 0 0 296.241 1.578 10 10 CDCERN COc1cccc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)c1O ZINC000854248134 819309629 /nfs/dbraw/zinc/30/96/29/819309629.db2.gz OSESATCIJLSSRK-LBPRGKRZSA-N 0 0 279.336 1.991 10 10 CDCERN Oc1cc2c(cc1CN1CCn3nncc3C1)CCCC2 ZINC000848494162 819364288 /nfs/dbraw/zinc/36/42/88/819364288.db2.gz SMVQTBVAKUQORI-UHFFFAOYSA-N 0 0 284.363 1.878 10 10 CDCERN COCCN(CCF)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855592354 819512529 /nfs/dbraw/zinc/51/25/29/819512529.db2.gz BMRDMBWXEOOACI-HWKANZROSA-N 0 0 283.299 1.556 10 10 CDCERN COc1ccc(N2CC[C@@H](NC(=O)COC(C)C)C2)cc1 ZINC000855230061 819677648 /nfs/dbraw/zinc/67/76/48/819677648.db2.gz MMUURGIJHIRSHO-CYBMUJFWSA-N 0 0 292.379 1.815 10 10 CDCERN CN(C)c1ccc(CN(C)C(=O)CC(F)(F)CN)cc1 ZINC000846676180 820016752 /nfs/dbraw/zinc/01/67/52/820016752.db2.gz DCSYWWUICRRZQH-UHFFFAOYSA-N 0 0 285.338 1.695 10 10 CDCERN C[C@@]12COC[C@]1(C)CN(C(=O)Cc1ccc(N)cc1)C2 ZINC000851641431 820045436 /nfs/dbraw/zinc/04/54/36/820045436.db2.gz AJXVQGQPGYWRDQ-IYBDPMFKSA-N 0 0 274.364 1.696 10 10 CDCERN O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000854241539 820068020 /nfs/dbraw/zinc/06/80/20/820068020.db2.gz OPPKDPQZJXNEJS-YMTOWFKASA-N 0 0 297.738 1.579 10 10 CDCERN CCO[C@H](C)c1ncc(C(=O)OCC(=O)C(C)=O)s1 ZINC000808521879 820192869 /nfs/dbraw/zinc/19/28/69/820192869.db2.gz HXKLWMHSSOHRDH-MRVPVSSYSA-N 0 0 285.321 1.556 10 10 CDCERN CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855230852 820302921 /nfs/dbraw/zinc/30/29/21/820302921.db2.gz FLKATMLBWFNYQM-STQMWFEESA-N 0 0 292.379 1.815 10 10 CDCERN COc1ccc(N2CC[C@H](NC(=O)CCC(C)=O)C2)cc1 ZINC000855234971 820330286 /nfs/dbraw/zinc/33/02/86/820330286.db2.gz SGFAUOKAKCNHRP-ZDUSSCGKSA-N 0 0 290.363 1.759 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(C(C)=O)c(C)nc1C ZINC000808539240 820378022 /nfs/dbraw/zinc/37/80/22/820378022.db2.gz XNNTUBFKWDXFBV-UHFFFAOYSA-N 0 0 277.276 1.216 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cn(C)c2ccc(F)cc12 ZINC000808548015 820410259 /nfs/dbraw/zinc/41/02/59/820410259.db2.gz VLVFKUOIXYSFKY-UHFFFAOYSA-N 0 0 277.251 1.632 10 10 CDCERN CO[C@@]1(CO)CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000855445679 820448044 /nfs/dbraw/zinc/44/80/44/820448044.db2.gz XVGQSINATZTBAI-HNNXBMFYSA-N 0 0 295.335 1.020 10 10 CDCERN Cc1ccc(C(=O)N[C@@H]2COC3(CCC3)C2)c(O)c1O ZINC000855660890 820839226 /nfs/dbraw/zinc/83/92/26/820839226.db2.gz GJXCGZJODXQKFT-JTQLQIEISA-N 0 0 277.320 1.848 10 10 CDCERN CCOC(=O)/C(=C/c1cn(C)nc1Cl)c1nccn1C ZINC000857201622 820843276 /nfs/dbraw/zinc/84/32/76/820843276.db2.gz DXWIOCQOCVGKSD-JXMROGBWSA-N 0 0 294.742 1.911 10 10 CDCERN C[C@H]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)O1 ZINC000922824093 820966094 /nfs/dbraw/zinc/96/60/94/820966094.db2.gz YDQKUKCPCNOELC-VHSXEESVSA-N 0 0 282.315 1.898 10 10 CDCERN CC[C@@H](C)CS(=O)(=O)NCc1c(O)cccc1F ZINC000921452598 821013706 /nfs/dbraw/zinc/01/37/06/821013706.db2.gz TXAYVRMEMNIFPR-SECBINFHSA-N 0 0 275.345 1.997 10 10 CDCERN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(F)cc1[O-] ZINC000079927107 821208151 /nfs/dbraw/zinc/20/81/51/821208151.db2.gz WTJLJYDAXWQIBL-SCZZXKLOSA-N 0 0 252.289 1.461 10 10 CDCERN Cc1nc(C)c(CC(=O)N2Cc3cccc(O)c3C2)c(=O)[nH]1 ZINC000871198711 821308279 /nfs/dbraw/zinc/30/82/79/821308279.db2.gz NLOAJKBPCFHLDX-UHFFFAOYSA-N 0 0 299.330 1.590 10 10 CDCERN CO[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000868294289 821456066 /nfs/dbraw/zinc/45/60/66/821456066.db2.gz VCESNVUTWKRARY-GWCFXTLKSA-N 0 0 291.351 1.233 10 10 CDCERN C[C@H]1COC2(CCC2)CN1C(=O)c1cccc(O)c1O ZINC000855518788 821460622 /nfs/dbraw/zinc/46/06/22/821460622.db2.gz KETBPGJKLLUKNT-JTQLQIEISA-N 0 0 277.320 1.881 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(C)n(C(C)(C)C)n1 ZINC000808506062 821801973 /nfs/dbraw/zinc/80/19/73/821801973.db2.gz TWWJEZSAVWBMQI-UHFFFAOYSA-N 0 0 266.297 1.261 10 10 CDCERN CC12CC(C1)C[N@@H+]2Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000853084393 821853557 /nfs/dbraw/zinc/85/35/57/821853557.db2.gz JUHYACGFFPFFSJ-UHFFFAOYSA-N 0 0 288.307 1.117 10 10 CDCERN COC(=O)[C@@H](CF)NCc1cc(Cl)cc(C)c1O ZINC000809778300 821898676 /nfs/dbraw/zinc/89/86/76/821898676.db2.gz OJWJGTOEEAUULZ-SNVBAGLBSA-N 0 0 275.707 1.955 10 10 CDCERN COc1ccc(C=CC(=O)OCC(=O)C(C)=O)cc1OC ZINC000808487722 822358954 /nfs/dbraw/zinc/35/89/54/822358954.db2.gz RCKORIWWQUPTKT-ALCCZGGFSA-N 0 0 292.287 1.418 10 10 CDCERN CCO[C@H](C(=O)OCC(=O)C(C)=O)c1ccccc1 ZINC000808509050 822428581 /nfs/dbraw/zinc/42/85/81/822428581.db2.gz IGUUAPVRUOBPNN-ZDUSSCGKSA-N 0 0 264.277 1.466 10 10 CDCERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[C@H](C)O ZINC000304260222 822432428 /nfs/dbraw/zinc/43/24/28/822432428.db2.gz STXNBQOWBVCXBZ-JTQLQIEISA-N 0 0 287.319 1.751 10 10 CDCERN Cc1cnn(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001641294112 1167094287 /nfs/dbraw/zinc/09/42/87/1167094287.db2.gz OKHSWFTWWBKTDB-GQCTYLIASA-N 0 0 273.292 1.792 10 10 CDCERN CN(CCc1cnccn1)C(=O)Cc1ccc(O)c(O)c1 ZINC001567003871 1168499422 /nfs/dbraw/zinc/49/94/22/1168499422.db2.gz YIJGANOMDKZGBK-UHFFFAOYSA-N 0 0 287.319 1.131 10 10 CDCERN COC[C@@H]1CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955528 908835566 /nfs/dbraw/zinc/83/55/66/908835566.db2.gz FQHYNLPEXPAIEF-ZDUSSCGKSA-N 0 0 263.341 1.242 10 10 CDCERN O=C(/C=C\c1cncc(O)c1)NCc1ccc(O)cc1O ZINC001142533479 908882428 /nfs/dbraw/zinc/88/24/28/908882428.db2.gz LYKKXDAJKUEJNX-RJRFIUFISA-N 0 0 286.287 1.528 10 10 CDCERN COC[C@](C)(CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000716828954 910692854 /nfs/dbraw/zinc/69/28/54/910692854.db2.gz KMQCXLZZQFVXAG-LBPRGKRZSA-N 0 0 261.268 1.157 10 10 CDCERN CC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)o1 ZINC001178912904 915684518 /nfs/dbraw/zinc/68/45/18/915684518.db2.gz YKYJHJCTQOEYLJ-UHFFFAOYSA-N 0 0 275.260 1.823 10 10 CDCERN CC(=O)c1cncc(C(=O)NCc2c(O)cccc2O)c1 ZINC001178917987 915686410 /nfs/dbraw/zinc/68/64/10/915686410.db2.gz VLZLGKDTTQJGQC-UHFFFAOYSA-N 0 0 286.287 1.625 10 10 CDCERN CCn1ncc(C(=O)NCc2cccc(O)c2O)c1C ZINC001521852208 915941578 /nfs/dbraw/zinc/94/15/78/915941578.db2.gz SIUUCOWZMAIIJF-UHFFFAOYSA-N 0 0 275.308 1.553 10 10 CDCERN CC[C@H](CCO)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001465944160 936670145 /nfs/dbraw/zinc/67/01/45/936670145.db2.gz OLWQRHSCFQMYEO-SNVBAGLBSA-N 0 0 267.325 1.165 10 10 CDCERN CCc1nc(C(=O)NCc2cccc(OC)c2O)no1 ZINC000775388032 922013419 /nfs/dbraw/zinc/01/34/19/922013419.db2.gz NUVLHZIYBTVMDP-UHFFFAOYSA-N 0 0 277.280 1.276 10 10 CDCERN Oc1cc2c(cc1CN1CCO[C@H](CCF)C1)OCO2 ZINC000700559422 922240237 /nfs/dbraw/zinc/24/02/37/922240237.db2.gz DONVJDXQNZIHBM-LLVKDONJSA-N 0 0 283.299 1.681 10 10 CDCERN Nc1ncc(C(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC001545682168 927264617 /nfs/dbraw/zinc/26/46/17/927264617.db2.gz VGWMUGOEWAEWFH-UHFFFAOYSA-N 0 0 288.263 1.208 10 10 CDCERN CCN1C(=O)/C(=C/c2cncnc2)SC1=S ZINC000781103938 937211950 /nfs/dbraw/zinc/21/19/50/937211950.db2.gz GMVHZVNFBVKQOY-BAQGIRSFSA-N 0 0 251.336 1.698 10 10 CDCERN COc1cccc(CNC(=O)COCC(F)F)c1O ZINC000860241490 929135525 /nfs/dbraw/zinc/13/55/25/929135525.db2.gz SANCCYFOPOUCIB-UHFFFAOYSA-N 0 0 275.251 1.299 10 10 CDCERN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863547717 929568857 /nfs/dbraw/zinc/56/88/57/929568857.db2.gz WJSRGOWBSDSYNP-HOTUBEGUSA-N 0 0 265.313 1.701 10 10 CDCERN CC(=O)c1cc(Cl)cc(CN2CC=C[C@H]2CO)c1O ZINC000880485008 929687954 /nfs/dbraw/zinc/68/79/54/929687954.db2.gz AGYMTRCIGICUCJ-LBPRGKRZSA-N 0 0 281.739 1.981 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCOc1cccnc1 ZINC001146833013 932329178 /nfs/dbraw/zinc/32/91/78/932329178.db2.gz JBDQJQWGOVIFKL-UHFFFAOYSA-N 0 0 288.303 1.231 10 10 CDCERN Cc1ccc(C(=O)NCC[C@H]2CC(=O)N(C)C2)c(O)c1O ZINC000927748435 933089715 /nfs/dbraw/zinc/08/97/15/933089715.db2.gz RHZSKQAYFOURFG-JTQLQIEISA-N 0 0 292.335 1.004 10 10 CDCERN CO[C@]1(CNC(=O)C2=CC(=O)CS2)CCSC1 ZINC000928492386 933151490 /nfs/dbraw/zinc/15/14/90/933151490.db2.gz AZQRWGMJUGZPNU-NSHDSACASA-N 0 0 273.379 1.706 10 10 CDCERN C[C@]1(CNC(=O)c2cccc(O)c2O)CC1(F)F ZINC000689185750 936029573 /nfs/dbraw/zinc/02/95/73/936029573.db2.gz RPMMWWRYTULKTR-LLVKDONJSA-N 0 0 257.236 1.873 10 10 CDCERN CC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001123889950 936240278 /nfs/dbraw/zinc/24/02/78/936240278.db2.gz RXGFPMAUAQSSCN-LBPRGKRZSA-N 0 0 292.335 1.115 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NC/C=C\CO)cc1 ZINC001165979966 939589327 /nfs/dbraw/zinc/58/93/27/939589327.db2.gz ARACRAQFRALACO-OAJWLPKGSA-N 0 0 262.269 1.127 10 10 CDCERN Cc1cncc(/C=C\C(=O)N(C)c2ccnn2C)c1 ZINC001289920609 954003766 /nfs/dbraw/zinc/00/37/66/954003766.db2.gz BKBFNCXKIXNKKQ-PLNGDYQASA-N 0 0 256.309 1.800 10 10 CDCERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C[C@H](C)O ZINC001293841074 954416379 /nfs/dbraw/zinc/41/63/79/954416379.db2.gz HSSIXJKQDJVFHP-ZJUUUORDSA-N 0 0 267.325 1.164 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC1(F)F ZINC001298913353 955256468 /nfs/dbraw/zinc/25/64/68/955256468.db2.gz QXJGUHBGKQMSQA-LLVKDONJSA-N 0 0 271.263 1.944 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC1(F)F ZINC001298913355 955256526 /nfs/dbraw/zinc/25/65/26/955256526.db2.gz QXJGUHBGKQMSQA-NSHDSACASA-N 0 0 271.263 1.944 10 10 CDCERN C[C@H]1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 ZINC001299074676 955274024 /nfs/dbraw/zinc/27/40/24/955274024.db2.gz XUIILASNZIRMSW-ONGXEEELSA-N 0 0 265.309 1.324 10 10 CDCERN Cc1cc(O)c(CN2CC[N@@H+](CCO)C[C@H]2C)cc1Cl ZINC001328759175 955459707 /nfs/dbraw/zinc/45/97/07/955459707.db2.gz MKWYYUSNMUQHPP-GFCCVEGCSA-N 0 0 298.814 1.852 10 10 CDCERN Cc1nccc(C(=O)N[C@H](C)c2ccccc2O)n1 ZINC001302530322 956017317 /nfs/dbraw/zinc/01/73/17/956017317.db2.gz LGBYRNKXHTVNJX-SECBINFHSA-N 0 0 257.293 1.982 10 10 CDCERN CN(C)c1ccc(/C=C/C[NH2+]CC[C@H](O)C(=O)[O-])cc1 ZINC001332486279 957584060 /nfs/dbraw/zinc/58/40/60/957584060.db2.gz XWOCGPKKRGCDLG-XGACYXMMSA-N 0 0 278.352 1.191 10 10 CDCERN C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001321419648 959775798 /nfs/dbraw/zinc/77/57/98/959775798.db2.gz JXMUHXFFTHTXQI-DGCLKSJQSA-N 0 0 289.379 1.141 10 10 CDCERN Cc1nnc(CNC(=O)N[C@@H](C)c2ccccc2O)n1C ZINC001335691821 959976465 /nfs/dbraw/zinc/97/64/65/959976465.db2.gz MVLZKKHMVOGMLC-VIFPVBQESA-N 0 0 289.339 1.390 10 10 CDCERN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCOCCCO ZINC001323698733 960919009 /nfs/dbraw/zinc/91/90/09/960919009.db2.gz FKGKTZJFNWKKDZ-UHFFFAOYSA-N 0 0 277.723 1.673 10 10 CDCERN C/C(=C\C(=O)N(C)c1ccc(C)nn1)c1cnccn1 ZINC001435249748 962043727 /nfs/dbraw/zinc/04/37/27/962043727.db2.gz GWNKNENUVRQOGZ-CSKARUKUSA-N 0 0 269.308 1.641 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCC[C@@H]1CCOC1=O ZINC001558220045 965253456 /nfs/dbraw/zinc/25/34/56/965253456.db2.gz ZERVGBAVTHCLFJ-LLVKDONJSA-N 0 0 293.319 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C[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467546195 970074533 /nfs/dbraw/zinc/07/45/33/970074533.db2.gz ZTVRNRPXHOHMSU-GXSJLCMTSA-N 0 0 290.323 1.692 10 10 CDCERN Cc1cnc(C(=O)NCc2cccc(O)c2O)c(O)c1 ZINC001471642482 970448889 /nfs/dbraw/zinc/44/88/89/970448889.db2.gz VYRGNLKAPFZMNW-UHFFFAOYSA-N 0 0 274.276 1.437 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001522777539 970553880 /nfs/dbraw/zinc/55/38/80/970553880.db2.gz OIEILHYXMKGBEF-CMPLNLGQSA-N 0 0 277.320 1.739 10 10 CDCERN COc1ccnc2c1C(=O)c1nccc(C)c1C2=O ZINC000139831172 342353301 /nfs/dbraw/zinc/35/33/01/342353301.db2.gz GFVCBMPDFUBFCL-UHFFFAOYSA-N 0 0 254.245 1.569 10 10 CDCERN CCOCCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000092962873 342420829 /nfs/dbraw/zinc/42/08/29/342420829.db2.gz AENVXQOENWNAIL-UHFFFAOYSA-N 0 0 295.295 1.398 10 10 CDCERN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(F)F ZINC000295031741 199310298 /nfs/dbraw/zinc/31/02/98/199310298.db2.gz LRLPURLCSPBUBS-GXSJLCMTSA-N 0 0 290.266 1.795 10 10 CDCERN C[S@](=O)c1cc2c(o1)C(=O)c1ccccc1C2=O ZINC000112990955 349241355 /nfs/dbraw/zinc/24/13/55/349241355.db2.gz BDVOUHPOXRKREC-GOSISDBHSA-N 0 0 260.270 1.792 10 10 CDCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCOC2)c1 ZINC000238089447 361525815 /nfs/dbraw/zinc/52/58/15/361525815.db2.gz DWKVWVGNBBYQJO-JTQLQIEISA-N 0 0 252.270 1.569 10 10 CDCERN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(N)=O ZINC000170732250 365096590 /nfs/dbraw/zinc/09/65/90/365096590.db2.gz UGYQDTGYQKVUOU-SNVBAGLBSA-N 0 0 279.340 1.188 10 10 CDCERN CCOc1cccc(CN2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282859733 368072915 /nfs/dbraw/zinc/07/29/15/368072915.db2.gz XDGSVOOBYAUCOJ-LLVKDONJSA-N 0 0 278.352 1.453 10 10 CDCERN Cc1ccc(C(=O)N(C)OCC(F)(F)F)c(O)c1O ZINC000530258590 368152778 /nfs/dbraw/zinc/15/27/78/368152778.db2.gz GKQAIBXGCFBIKC-UHFFFAOYSA-N 0 0 279.214 1.972 10 10 CDCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H](O)C2)c1O ZINC000295759325 371395492 /nfs/dbraw/zinc/39/54/92/371395492.db2.gz XVLNTKDGSWNMMC-GFCCVEGCSA-N 0 0 299.754 1.441 10 10 CDCERN O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cccc(O)c1O ZINC000193140287 373682902 /nfs/dbraw/zinc/68/29/02/373682902.db2.gz HCJJWCNBAUDLIC-JSGCOSHPSA-N 0 0 285.299 1.486 10 10 CDCERN NN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000003071234 375530865 /nfs/dbraw/zinc/53/08/65/375530865.db2.gz RQWDQJIARFIXCM-YVMONPNESA-N 0 0 281.318 1.670 10 10 CDCERN CS(=O)(=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293670099 378598224 /nfs/dbraw/zinc/59/82/24/378598224.db2.gz QKXXDMIHSUQEIZ-UHFFFAOYSA-N 0 0 295.763 1.709 10 10 CDCERN Nc1ccc(Nc2ccc(N3CCOCC3)nn2)cc1 ZINC000026444453 134423566 /nfs/dbraw/zinc/42/35/66/134423566.db2.gz AMCDTTUQCPUCDB-UHFFFAOYSA-N 0 0 271.324 1.639 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCC2(C1)CCOCC2 ZINC001586954417 1172966250 /nfs/dbraw/zinc/96/62/50/1172966250.db2.gz CSICCMXVEWFSBH-UHFFFAOYSA-N 0 0 291.347 1.669 10 10 CDCERN Nc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 ZINC000020483854 171223782 /nfs/dbraw/zinc/22/37/82/171223782.db2.gz PUMHAKPTCAGRGZ-UHFFFAOYSA-N 0 0 276.321 1.083 10 10 CDCERN CC(C)(C)C(=O)N(CC(N)=O)Cc1ccc(N)cc1 ZINC000035366539 172157975 /nfs/dbraw/zinc/15/79/75/172157975.db2.gz OKOPMEMDRASMOS-UHFFFAOYSA-N 0 0 263.341 1.129 10 10 CDCERN CC[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 ZINC000037912765 173845264 /nfs/dbraw/zinc/84/52/64/173845264.db2.gz SZUGBQBJGPARCC-CYBMUJFWSA-N 0 0 268.382 1.973 10 10 CDCERN C[C@H](c1ccccc1O)N(C)C(=O)c1ccnn1C ZINC000038089787 174103300 /nfs/dbraw/zinc/10/33/00/174103300.db2.gz BWEIFGMXWOQLKJ-SNVBAGLBSA-N 0 0 259.309 1.959 10 10 CDCERN Cn1cc(NC(=O)c2cccc(O)c2O)c(C2CC2)n1 ZINC000291039420 263119731 /nfs/dbraw/zinc/11/97/31/263119731.db2.gz HYVBUZHPJIRYMR-UHFFFAOYSA-N 0 0 273.292 1.961 10 10 CDCERN CCCC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 ZINC000062575901 519869369 /nfs/dbraw/zinc/86/93/69/519869369.db2.gz RXVMHCVCDMBRJJ-UHFFFAOYSA-N 0 0 287.363 1.630 10 10 CDCERN CCn1ncc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000292915311 523688565 /nfs/dbraw/zinc/68/85/65/523688565.db2.gz YVAHTTGYUACHRN-UHFFFAOYSA-N 0 0 287.367 1.636 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CDCERN COC[C@H]1C(=O)N[C@H](c2ccc3c(c2)CCCN3C)N1C ZINC000840831198 837777652 /nfs/dbraw/zinc/77/76/52/837777652.db2.gz HNRKIVJJZDAEFB-GJZGRUSLSA-N 0 0 289.379 1.144 10 10 CDCERN CCCOc1ccc(C(=O)OCC(=O)C(C)=O)c(OC)c1 ZINC000837888975 837809372 /nfs/dbraw/zinc/80/93/72/837809372.db2.gz DUZYWCRDIRCWOG-UHFFFAOYSA-N 0 0 294.303 1.799 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1SCCc2ccccc21 ZINC000808521993 837829212 /nfs/dbraw/zinc/82/92/12/837829212.db2.gz KWWFBSCALOADLF-CYBMUJFWSA-N 0 0 278.329 1.718 10 10 CDCERN COc1ccc(N2CC[C@H](NC(=O)C(C)(C)CO)C2)cc1 ZINC000855224080 835822417 /nfs/dbraw/zinc/82/24/17/835822417.db2.gz CSUJRABIJHQBBV-LBPRGKRZSA-N 0 0 292.379 1.409 10 10 CDCERN CN(C)c1ccc(CN(C)C(=O)[C@H](O)C2CCC2)cc1 ZINC000824113259 835900249 /nfs/dbraw/zinc/90/02/49/835900249.db2.gz BAEVTRFTZIRRGF-OAHLLOKOSA-N 0 0 276.380 1.872 10 10 CDCERN COc1ccc(CNC(=O)N[C@H]2CC23CC3)c(O)c1 ZINC000823875104 835901100 /nfs/dbraw/zinc/90/11/00/835901100.db2.gz YWIIZKFIJCJBSR-LBPRGKRZSA-N 0 0 262.309 1.753 10 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273.336 1.656 10 10 CDCERN Cc1ccc(O)c(CNC(=O)NCCCn2ccnn2)c1 ZINC000858358565 837284241 /nfs/dbraw/zinc/28/42/41/837284241.db2.gz QKJBWNAJMDBVRA-UHFFFAOYSA-N 0 0 289.339 1.182 10 10 CDCERN CC(=O)C(=O)COC(=O)C=Cc1ccccc1F ZINC000808493577 837355080 /nfs/dbraw/zinc/35/50/80/837355080.db2.gz AHSXPZQFULOGKH-SREVYHEPSA-N 0 0 250.225 1.540 10 10 CDCERN COC(=O)NC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202224 837867791 /nfs/dbraw/zinc/86/77/91/837867791.db2.gz ATGPYFZROAITTO-UHFFFAOYSA-N 0 0 278.308 1.369 10 10 CDCERN Nc1ccc(NC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 ZINC000724593680 837909608 /nfs/dbraw/zinc/90/96/08/837909608.db2.gz GUHCXPSKSJJKBK-WQAKAFBOSA-N 0 0 277.324 1.194 10 10 CDCERN CCO[C@H](C(=O)NCc1ccc(O)c(O)c1)[C@H]1CCOC1 ZINC000866770145 837935783 /nfs/dbraw/zinc/93/57/83/837935783.db2.gz TWGWJUXVQYLUFG-FZMZJTMJSA-N 0 0 295.335 1.156 10 10 CDCERN CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000854271839 838019567 /nfs/dbraw/zinc/01/95/67/838019567.db2.gz RTTUQRINZNBZCV-UKRRQHHQSA-N 0 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ZZDMKAQVOMMQAI-UHFFFAOYSA-N 0 0 289.310 1.879 10 10 CDCERN CCC[C@H](C)[C@@H](CO)NC(=O)c1c(F)ccc(O)c1O ZINC000846660354 839177498 /nfs/dbraw/zinc/17/74/98/839177498.db2.gz VAOHLCPFQUAFFI-WCBMZHEXSA-N 0 0 285.315 1.764 10 10 CDCERN O=C(N[C@]12CCC[C@H]1OCC2)C1=CC(=O)CS1 ZINC000872280448 839193005 /nfs/dbraw/zinc/19/30/05/839193005.db2.gz MSVZPUDEGZZFCJ-PWSUYJOCSA-N 0 0 253.323 1.895 10 10 CDCERN COc1cccc(CNC(=O)[C@]23C[C@H]2COC3(C)C)c1O ZINC000830541204 839473939 /nfs/dbraw/zinc/47/39/39/839473939.db2.gz VASPJYHHTDEVLE-ZBEGNZNMSA-N 0 0 291.347 1.832 10 10 CDCERN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000846192603 839560904 /nfs/dbraw/zinc/56/09/04/839560904.db2.gz URSDXNAJMWKOBL-BHNWBGBOSA-N 0 0 270.279 1.585 10 10 CDCERN CSc1cccc(C(=O)OCC(=O)C(C)=O)c1[N+](=O)[O-] ZINC000808538680 839615283 /nfs/dbraw/zinc/61/52/83/839615283.db2.gz BDJJMXRBRSWSIV-UHFFFAOYSA-N 0 0 297.288 1.632 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CC(F)(F)C[C@@H]1CO ZINC000832634895 839642218 /nfs/dbraw/zinc/64/22/18/839642218.db2.gz PPSZZFGGQBCDLI-ZCFIWIBFSA-N 0 0 263.265 1.296 10 10 CDCERN CC1(C)CN(C(=O)C2=CC(=O)CS2)C[C@@]2(CCOC2)O1 ZINC000796197337 840065076 /nfs/dbraw/zinc/06/50/76/840065076.db2.gz OUQHYRNSKGJNTE-CQSZACIVSA-N 0 0 297.376 1.864 10 10 CDCERN Cc1nc([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)no1 ZINC000927327842 840092468 /nfs/dbraw/zinc/09/24/68/840092468.db2.gz SNQYAFXGSFTTCB-MRVPVSSYSA-N 0 0 279.321 1.775 10 10 CDCERN CNC(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000870758926 840176484 /nfs/dbraw/zinc/17/64/84/840176484.db2.gz XYNXKFNXYRQQNQ-VIFPVBQESA-N 0 0 297.380 1.377 10 10 CDCERN Cc1ccc(CN(CCO)C(=O)c2cccc(O)c2O)o1 ZINC000794316554 840227521 /nfs/dbraw/zinc/22/75/21/840227521.db2.gz JJLBHMVVSDIMSL-UHFFFAOYSA-N 0 0 291.303 1.634 10 10 CDCERN CC(=O)C(=O)COC(=O)Cc1coc2cc(F)ccc12 ZINC000808522812 840235369 /nfs/dbraw/zinc/23/53/69/840235369.db2.gz JRAXTZYSJSHQNI-UHFFFAOYSA-N 0 0 278.235 1.816 10 10 CDCERN [O-]c1c(C[NH2+][C@@H]2CC23CC(O)C3)ccc(F)c1F ZINC000725000807 840386672 /nfs/dbraw/zinc/38/66/72/840386672.db2.gz LGLINEWGMYWNEQ-MDGUTJNFSA-N 0 0 255.264 1.673 10 10 CDCERN COC[C@H](NC(=O)C1=CC(=O)CS1)C1CCOCC1 ZINC000855293023 840474101 /nfs/dbraw/zinc/47/41/01/840474101.db2.gz XLLPMYGFECOJLV-NSHDSACASA-N 0 0 285.365 1.625 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC000808506276 840550739 /nfs/dbraw/zinc/55/07/39/840550739.db2.gz IXOIZQFIQBOOQK-UHFFFAOYSA-N 0 0 299.710 1.837 10 10 CDCERN CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000252805947 840567862 /nfs/dbraw/zinc/56/78/62/840567862.db2.gz GKLJYROLLBSOPI-YPMHNXCESA-N 0 0 282.359 1.903 10 10 CDCERN COCC[C@H](COC)NC(=O)NCc1cc(C)ccc1O ZINC000858470405 840834334 /nfs/dbraw/zinc/83/43/34/840834334.db2.gz ZMUHNZVXNINPTG-CYBMUJFWSA-N 0 0 296.367 1.551 10 10 CDCERN O=C1NC(=S)S/C1=C\c1cnn2c1CCC2 ZINC000849177686 840992578 /nfs/dbraw/zinc/99/25/78/840992578.db2.gz PWCTWEVCXJGTTR-YWEYNIOJSA-N 0 0 251.336 1.318 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1COC2(CCC2)C1 ZINC000855662789 841188741 /nfs/dbraw/zinc/18/87/41/841188741.db2.gz XUVDVBATCBOCCP-KTLBGCOUSA-N 0 0 289.331 1.939 10 10 CDCERN O=C(NCC[C@H]1CCOC1)NCc1ccccc1O ZINC000784538433 841191915 /nfs/dbraw/zinc/19/19/15/841191915.db2.gz QPMYWXRBMVFPRN-NSHDSACASA-N 0 0 264.325 1.618 10 10 CDCERN CC(=O)C(=O)COC(=O)c1nc(C(C)C)ncc1Cl ZINC000808509553 841304265 /nfs/dbraw/zinc/30/42/65/841304265.db2.gz WMZGJRJUDDOUKM-UHFFFAOYSA-N 0 0 284.699 1.568 10 10 CDCERN COc1ccc(CNC(=O)N[C@H](C)c2cn[nH]c2)c(O)c1 ZINC000793022106 841318519 /nfs/dbraw/zinc/31/85/19/841318519.db2.gz NCZZYMBZKWLMRE-SECBINFHSA-N 0 0 290.323 1.684 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@H](OC(C)C)c1ccccc1 ZINC000796408990 841396645 /nfs/dbraw/zinc/39/66/45/841396645.db2.gz VGDWENFSJGTFCD-CQSZACIVSA-N 0 0 278.304 1.854 10 10 CDCERN CC[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@]2(CCOC2)O1 ZINC000796171378 841644298 /nfs/dbraw/zinc/64/42/98/841644298.db2.gz FGWKPUKXSZLHOL-SMDDNHRTSA-N 0 0 297.376 1.864 10 10 CDCERN CN(Cc1ccccc1O)C(=O)C(C)(C)n1cc(N)cn1 ZINC000852817200 841665333 /nfs/dbraw/zinc/66/53/33/841665333.db2.gz SDJSEHZBWXRLHQ-UHFFFAOYSA-N 0 0 288.351 1.565 10 10 CDCERN CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000714249067 841685026 /nfs/dbraw/zinc/68/50/26/841685026.db2.gz BNPRLWJBCUFVSK-MGCOHNPYSA-N 0 0 273.329 1.197 10 10 CDCERN CCN(C)c1ccc(CN(C)[C@@H](COC)C(N)=O)cc1 ZINC000815135755 841892783 /nfs/dbraw/zinc/89/27/83/841892783.db2.gz GTMFIWHCRBQQGG-AWEZNQCLSA-N 0 0 279.384 1.075 10 10 CDCERN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703259166 842197257 /nfs/dbraw/zinc/19/72/57/842197257.db2.gz UAQVVYBENQPGLI-OIBJUYFYSA-N 0 0 270.279 1.427 10 10 CDCERN C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(F)cc1[O-] ZINC000700230949 842377032 /nfs/dbraw/zinc/37/70/32/842377032.db2.gz GCLVGMQORNFGER-JQWIXIFHSA-N 0 0 268.332 1.513 10 10 CDCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1COCCOC1 ZINC000816616766 842444453 /nfs/dbraw/zinc/44/44/53/842444453.db2.gz FZKAVZJQDISSTA-UHFFFAOYSA-N 0 0 275.707 1.690 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1CCCc2sccc21 ZINC000808529911 842669476 /nfs/dbraw/zinc/66/94/76/842669476.db2.gz YHQFPIDZJALZGP-SNVBAGLBSA-N 0 0 266.318 1.869 10 10 CDCERN CCN(C)C(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC000865396355 842853042 /nfs/dbraw/zinc/85/30/42/842853042.db2.gz PLVINOCGJJHZIO-UHFFFAOYSA-N 0 0 294.351 1.396 10 10 CDCERN C[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CCOC1(C)C ZINC001566283077 1168256146 /nfs/dbraw/zinc/25/61/46/1168256146.db2.gz LPNHLTMRALUTPR-SNVBAGLBSA-N 0 0 279.336 1.666 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1ccnc(F)c1 ZINC001176748592 914239711 /nfs/dbraw/zinc/23/97/11/914239711.db2.gz XGZHPVHBRJISCN-UHFFFAOYSA-N 0 0 262.240 1.562 10 10 CDCERN COC(=O)C[C@@H](C)CC(=O)NCc1c(O)cccc1O ZINC001178912780 915686544 /nfs/dbraw/zinc/68/65/44/915686544.db2.gz XJOYIMCBEAFPBV-VIFPVBQESA-N 0 0 281.308 1.303 10 10 CDCERN Cc1ccncc1CC(=O)NCc1ccccc1O ZINC001545682065 927254525 /nfs/dbraw/zinc/25/45/25/927254525.db2.gz OZORKCGMQKSXJK-UHFFFAOYSA-N 0 0 256.305 1.955 10 10 CDCERN CC1(C)CC[C@H](CNC(=O)c2cccc(O)c2O)O1 ZINC000691887188 937222598 /nfs/dbraw/zinc/22/25/98/937222598.db2.gz YPOTVTNWOHDRIT-SECBINFHSA-N 0 0 265.309 1.785 10 10 CDCERN O=C(NCc1ccc(N2CCOCC2)cc1)C12CC(C1)C2 ZINC000858725147 928912307 /nfs/dbraw/zinc/91/23/07/928912307.db2.gz ZONUBPCXXLFSDD-UHFFFAOYSA-N 0 0 286.375 1.940 10 10 CDCERN O=C(C[C@@H]1CCC(=O)NC1)N1Cc2cccc(O)c2C1 ZINC001118996710 937686167 /nfs/dbraw/zinc/68/61/67/937686167.db2.gz QUSHDVRHXBGWKR-JTQLQIEISA-N 0 0 274.320 1.151 10 10 CDCERN NC(=O)CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC001119513922 937726924 /nfs/dbraw/zinc/72/69/24/937726924.db2.gz XAGHWJKHNDUXRX-UHFFFAOYSA-N 0 0 270.279 1.558 10 10 CDCERN O=C(N[C@@H]1COC2(CCC2)C1)c1cccc(O)c1O ZINC000688343468 934589661 /nfs/dbraw/zinc/58/96/61/934589661.db2.gz XOSBHCWYKPSGFR-VIFPVBQESA-N 0 0 263.293 1.539 10 10 CDCERN COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)nc1 ZINC001165915527 939585526 /nfs/dbraw/zinc/58/55/26/939585526.db2.gz HXZNMKHIJLHLBD-UHFFFAOYSA-N 0 0 274.276 1.683 10 10 CDCERN Nc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001325331568 953849427 /nfs/dbraw/zinc/84/94/27/953849427.db2.gz PMEBRTUHCAFYDS-BVUQATHDSA-N 0 0 275.352 1.894 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccco1 ZINC001290013556 954018467 /nfs/dbraw/zinc/01/84/67/954018467.db2.gz WWHCUZAZLVMGIJ-UHFFFAOYSA-N 0 0 261.277 1.592 10 10 CDCERN COC[C@](C)(O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001326601123 954450753 /nfs/dbraw/zinc/45/07/53/954450753.db2.gz AMLZECGHELIWCQ-ZDTYVGOBSA-N 0 0 295.335 1.015 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]2COCC[C@@H]21 ZINC001295030509 954594338 /nfs/dbraw/zinc/59/43/38/954594338.db2.gz UJIBXHBBMCRAKQ-STQMWFEESA-N 0 0 291.347 1.668 10 10 CDCERN CN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccn(C)n1 ZINC001296740154 954901446 /nfs/dbraw/zinc/90/14/46/954901446.db2.gz ARRUWAUEZVZFLY-UHFFFAOYSA-N 0 0 286.295 1.859 10 10 CDCERN Cn1ncc2c1CN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001298214780 955142344 /nfs/dbraw/zinc/14/23/44/955142344.db2.gz WAIHUCGKFRATMY-UHFFFAOYSA-N 0 0 298.306 1.739 10 10 CDCERN COc1cc(C(=O)NCc2cccc(O)c2O)ccn1 ZINC001303194106 956061340 /nfs/dbraw/zinc/06/13/40/956061340.db2.gz XMDYTUYAKYWIFM-UHFFFAOYSA-N 0 0 274.276 1.431 10 10 CDCERN CCCCN(CC)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329767651 956105712 /nfs/dbraw/zinc/10/57/12/956105712.db2.gz KKQWPYHEFWLDAN-UHFFFAOYSA-N 0 0 290.363 1.883 10 10 CDCERN COc1ccc(N(C)C(=O)/C=C(/C)c2cnccn2)nc1 ZINC001435808168 962099827 /nfs/dbraw/zinc/09/98/27/962099827.db2.gz YWVXWGCCQMTQMG-FLIBITNWSA-N 0 0 284.319 1.947 10 10 CDCERN Cn1cc(/C=C/C(=O)NCc2cc(O)ccc2O)cn1 ZINC001558174593 965242643 /nfs/dbraw/zinc/24/26/43/965242643.db2.gz PTJACERVWDNNRK-GORDUTHDSA-N 0 0 273.292 1.161 10 10 CDCERN CN(CCOCC1CC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001445515925 966222637 /nfs/dbraw/zinc/22/26/37/966222637.db2.gz RYEWIKUEQWPEBG-UHFFFAOYSA-N 0 0 279.336 1.525 10 10 CDCERN Cc1cnc(F)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001445936994 966393875 /nfs/dbraw/zinc/39/38/75/966393875.db2.gz IEVXHAZUDKDDCG-UHFFFAOYSA-N 0 0 290.294 1.913 10 10 CDCERN O=C(NCc1ccccc1O)c1cn(-c2cccnc2)nn1 ZINC001445973410 966404997 /nfs/dbraw/zinc/40/49/97/966404997.db2.gz WNMMXBBZFRGKCP-UHFFFAOYSA-N 0 0 295.302 1.298 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCc1cccnc1 ZINC001540718749 967164167 /nfs/dbraw/zinc/16/41/67/967164167.db2.gz FZJPMQNOIQCQPT-UHFFFAOYSA-N 0 0 272.304 1.394 10 10 CDCERN Cc1nccn1CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001543375767 967292924 /nfs/dbraw/zinc/29/29/24/967292924.db2.gz KSEBIGOXQZHDKU-UHFFFAOYSA-N 0 0 289.335 1.352 10 10 CDCERN COC(=O)[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001544065408 967333247 /nfs/dbraw/zinc/33/32/47/967333247.db2.gz XEALQVAJNUQLLM-OAHLLOKOSA-N 0 0 293.319 1.098 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCCc1nccs1 ZINC001450647989 967764583 /nfs/dbraw/zinc/76/45/83/967764583.db2.gz PILKSGRXTIFZLS-UHFFFAOYSA-N 0 0 292.360 1.846 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2CCO)cc1 ZINC001451006244 967872890 /nfs/dbraw/zinc/87/28/90/967872890.db2.gz VSVLLGPPZRBMAK-LBPRGKRZSA-N 0 0 290.323 1.836 10 10 CDCERN Cc1ncc(CNC(=O)/C=C\c2ccc(O)c(O)c2)o1 ZINC001451200226 967914403 /nfs/dbraw/zinc/91/44/03/967914403.db2.gz XPMGXXNIVZCILR-HYXAFXHYSA-N 0 0 274.276 1.724 10 10 CDCERN COC(=O)C1=CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001453429039 968310304 /nfs/dbraw/zinc/31/03/04/968310304.db2.gz DVRVOCKKLGQHFT-NSHDSACASA-N 0 0 291.303 1.018 10 10 CDCERN CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(C(N)=O)cc1 ZINC001527790942 968733714 /nfs/dbraw/zinc/73/37/14/968733714.db2.gz ZJHMJFMRCSAYNE-VMPITWQZSA-N 0 0 284.319 1.195 10 10 CDCERN CC(C)(C)[C@@H](O)C(=O)NCc1cccc(O)c1O ZINC001528771578 968925665 /nfs/dbraw/zinc/92/56/65/968925665.db2.gz QFGLUOCIUXRGMX-NSHDSACASA-N 0 0 253.298 1.121 10 10 CDCERN CC(C)[C@H](O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001465221936 969855304 /nfs/dbraw/zinc/85/53/04/969855304.db2.gz FFGASZIYIRVMST-TXNVCOODSA-N 0 0 279.336 1.634 10 10 CDCERN Cc1c[nH]c(NC(=O)C=Cc2ccc(O)c(O)c2)n1 ZINC001465847431 969900979 /nfs/dbraw/zinc/90/09/79/969900979.db2.gz ILELSBAMQNFCFV-HWKANZROSA-N 0 0 259.265 1.781 10 10 CDCERN CC(C)SCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001467834740 970107792 /nfs/dbraw/zinc/10/77/92/970107792.db2.gz MXWYSUNMAZCODQ-UHFFFAOYSA-N 0 0 269.366 1.898 10 10 CDCERN CCC1(CC(=O)NCc2cccc(O)c2O)COC1 ZINC001521851042 970367019 /nfs/dbraw/zinc/36/70/19/970367019.db2.gz DUDTVFFZMVQIRN-UHFFFAOYSA-N 0 0 265.309 1.531 10 10 CDCERN C[C@@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1ccccc1O ZINC001471195078 970403418 /nfs/dbraw/zinc/40/34/18/970403418.db2.gz BCENEHVJKZIEMR-BXKDBHETSA-N 0 0 293.367 1.652 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCn2nccc21 ZINC001471438119 970422395 /nfs/dbraw/zinc/42/23/95/970422395.db2.gz GECHDYFXIKCVCP-NSHDSACASA-N 0 0 287.319 1.488 10 10 CDCERN C[C@H](C(=O)NCc1c(O)cccc1F)c1cnccn1 ZINC001471976423 970526527 /nfs/dbraw/zinc/52/65/27/970526527.db2.gz YRWPVWZMBCIJRT-VIFPVBQESA-N 0 0 275.283 1.741 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(CO)on2)c1 ZINC001595806722 1174218111 /nfs/dbraw/zinc/21/81/11/1174218111.db2.gz SWUYNCTXTXNCDE-MRVPVSSYSA-N 0 0 292.291 1.372 10 10 CDCERN Cc1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)c(O)c1O ZINC000274488187 365684746 /nfs/dbraw/zinc/68/47/46/365684746.db2.gz BHWOEHVQEAHDHW-HNNXBMFYSA-N 0 0 293.319 1.038 10 10 CDCERN COC(=O)c1cnc(SCC2(C(=O)OC)CC2)s1 ZINC000298252980 200372246 /nfs/dbraw/zinc/37/22/46/200372246.db2.gz NHCFQOKTEDCNQY-UHFFFAOYSA-N 0 0 287.362 1.975 10 10 CDCERN O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc(O)c1O ZINC000298512433 200454924 /nfs/dbraw/zinc/45/49/24/200454924.db2.gz WASZPDGQRVSUEQ-UWVGGRQHSA-N 0 0 265.309 1.379 10 10 CDCERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000171193399 365222605 /nfs/dbraw/zinc/22/26/05/365222605.db2.gz JFWYUWXLKKCSQV-CHWSQXEVSA-N 0 0 276.336 1.178 10 10 CDCERN Cc1c2ccccc2n(C)c1CNCc1cn(C)nn1 ZINC000355138286 372574406 /nfs/dbraw/zinc/57/44/06/372574406.db2.gz UPOXYVCIKXRKIT-UHFFFAOYSA-N 0 0 269.352 1.905 10 10 CDCERN [NH3+]CC[C@H]([NH3+])c1cc(Br)cc(F)c1[O-] ZINC000306846783 375799048 /nfs/dbraw/zinc/79/90/48/375799048.db2.gz IXPZCRBPAXWFDY-QMMMGPOBSA-N 0 0 263.110 1.642 10 10 CDCERN Cn1cc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000293714680 378585451 /nfs/dbraw/zinc/58/54/51/378585451.db2.gz UZZWCRIPOFFEIG-CYBMUJFWSA-N 0 0 299.733 1.741 10 10 CDCERN Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)CC2 ZINC000527956859 393005742 /nfs/dbraw/zinc/00/57/42/393005742.db2.gz YBVWWCVTSVDBQU-MRVWCRGKSA-N 0 0 263.337 1.509 10 10 CDCERN COC(=O)Nc1ccc(S(=O)(=O)[N-][N+]#N)cc1 ZINC000008377888 170333880 /nfs/dbraw/zinc/33/38/80/170333880.db2.gz OPFSSAYJYMAWMA-UHFFFAOYSA-N 0 0 256.243 1.864 10 10 CDCERN Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc(N)cc1 ZINC000020374265 171169835 /nfs/dbraw/zinc/16/98/35/171169835.db2.gz QTIOMUOJCNWYIT-UHFFFAOYSA-N 0 0 280.353 1.434 10 10 CDCERN Nc1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000020475751 171220041 /nfs/dbraw/zinc/22/00/41/171220041.db2.gz FLOPTVXYDURJJY-UHFFFAOYSA-N 0 0 256.305 1.964 10 10 CDCERN CC[C@H]1CCCN1c1cc2c(cc1N)OCC(=O)N2 ZINC000037913018 173846434 /nfs/dbraw/zinc/84/64/34/173846434.db2.gz UUHLGCIRCYOZPT-VIFPVBQESA-N 0 0 261.325 1.979 10 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Cc1noc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000273476846 293945944 /nfs/dbraw/zinc/94/59/44/293945944.db2.gz LBVWTOYCZXVSNG-MRVPVSSYSA-N 0 0 292.295 1.885 10 10 CDCERN CNC(=O)C(C)(C)C[NH2+]Cc1cccc(F)c1[O-] ZINC000226617275 329262288 /nfs/dbraw/zinc/26/22/88/329262288.db2.gz XVPWUHKOYFAOSA-UHFFFAOYSA-N 0 0 254.305 1.393 10 10 CDCERN CCOC(=O)[C@H](C)N[C@H](C)c1ccc(O)cc1O ZINC000049367894 521212967 /nfs/dbraw/zinc/21/29/67/521212967.db2.gz AYLVGIJWKHLLOE-BDAKNGLRSA-N 0 0 253.298 1.700 10 10 CDCERN CN(C)c1ccc(CNC(=O)Cc2ccnn2C)cc1 ZINC000278232463 522191994 /nfs/dbraw/zinc/19/19/94/522191994.db2.gz KNQMBLJOSXVTEW-UHFFFAOYSA-N 0 0 272.352 1.345 10 10 CDCERN COC(=O)[C@@H](CF)NCc1c(O)cccc1Cl ZINC000290127424 523579035 /nfs/dbraw/zinc/57/90/35/523579035.db2.gz JIYQJWSULKZYCG-SECBINFHSA-N 0 0 261.680 1.646 10 10 CDCERN Cc1ccc(C(=O)NCCOCC2CCC2)c(O)c1O ZINC000765753829 576053334 /nfs/dbraw/zinc/05/33/34/576053334.db2.gz OLBOQJGFNUXAKE-UHFFFAOYSA-N 0 0 279.336 1.953 10 10 CDCERN CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000769362478 576348711 /nfs/dbraw/zinc/34/87/11/576348711.db2.gz ZBUGBSYANPXYBP-ZDUSSCGKSA-N 0 0 290.363 1.655 10 10 CDCERN Cn1nnc2ccc(C(=O)NCc3ccccc3O)cc21 ZINC000755513811 576947616 /nfs/dbraw/zinc/94/76/16/576947616.db2.gz AMBWWFJYMZEXOP-UHFFFAOYSA-N 0 0 282.303 1.604 10 10 CDCERN COC(=O)c1ccc(O)c([C@@H](C)NCc2cn(C)nn2)c1 ZINC000757658974 577048978 /nfs/dbraw/zinc/04/89/78/577048978.db2.gz WHFMXODTWLMPMH-SECBINFHSA-N 0 0 290.323 1.158 10 10 CDCERN CCCN(C)S(=O)(=O)Nc1ccc(O)cc1F ZINC000758169633 577076765 /nfs/dbraw/zinc/07/67/65/577076765.db2.gz VSSIZDQHRDQJLA-UHFFFAOYSA-N 0 0 262.306 1.530 10 10 CDCERN CC[C@@H](C)C(=O)COC(=O)c1cccc(O)c1O ZINC000758560881 577117730 /nfs/dbraw/zinc/11/77/30/577117730.db2.gz YJRVQIYXTMRCCK-MRVPVSSYSA-N 0 0 252.266 1.870 10 10 CDCERN COc1ccc(O)c(CNC(=O)NCC[C@@H]2CCOC2)c1 ZINC000753196523 577152583 /nfs/dbraw/zinc/15/25/83/577152583.db2.gz YXVQZECDWPVQTG-LLVKDONJSA-N 0 0 294.351 1.627 10 10 CDCERN C[C@H](c1ccc(N(C)C)cc1)N1C(=O)N[C@@H](CF)C1=O ZINC000806672508 617334172 /nfs/dbraw/zinc/33/41/72/617334172.db2.gz DQFKJHZBEGHQHX-SKDRFNHKSA-N 0 0 279.315 1.704 10 10 CDCERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccccc1O ZINC000895865086 619880389 /nfs/dbraw/zinc/88/03/89/619880389.db2.gz RNWXBDCKPZLWHQ-QWHCGFSZSA-N 0 0 279.336 1.593 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1cn2c(n1)CCC2 ZINC000928706236 620504444 /nfs/dbraw/zinc/50/44/44/620504444.db2.gz PKENBGPYTWYVLR-UHFFFAOYSA-N 0 0 275.283 1.604 10 10 CDCERN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1c(O)cccc1F ZINC000928707181 620505067 /nfs/dbraw/zinc/50/50/67/620505067.db2.gz BVJRYHHOFAVORR-XPTSAGLGSA-N 0 0 296.342 1.698 10 10 CDCERN CC(=O)C(=O)COC(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC000909635644 620527701 /nfs/dbraw/zinc/52/77/01/620527701.db2.gz XVOUIIINMAPUFC-SNVBAGLBSA-N 0 0 289.287 1.204 10 10 CDCERN C[C@H](NC(=O)[C@H](N)C(F)(F)F)c1ccccc1O ZINC000870988436 620565376 /nfs/dbraw/zinc/56/53/76/620565376.db2.gz PDWAVYJNCADWBD-RCOVLWMOSA-N 0 0 262.231 1.459 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0 282.296 1.550 10 10 CDCERN Cn1cnc2ccc(C(=O)NCc3c(O)cccc3O)nc21 ZINC001645363443 1167397695 /nfs/dbraw/zinc/39/76/95/1167397695.db2.gz VKKDAPNWHLTQLT-UHFFFAOYSA-N 0 0 298.302 1.310 10 10 CDCERN CC(C)(CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566435783 1168269792 /nfs/dbraw/zinc/26/97/92/1168269792.db2.gz YBOXPSKDRXACEB-UHFFFAOYSA-N 0 0 278.312 1.740 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ncccc1O ZINC001647269426 1168507388 /nfs/dbraw/zinc/50/73/88/1168507388.db2.gz FPWVGEAHEPRZMA-UHFFFAOYSA-N 0 0 260.249 1.128 10 10 CDCERN Cc1cc(CNC(=O)c2c(F)ccc(O)c2O)ncn1 ZINC001654464804 1171614605 /nfs/dbraw/zinc/61/46/05/1171614605.db2.gz YIGKDIJUWAZHGH-UHFFFAOYSA-N 0 0 277.255 1.265 10 10 CDCERN O=C(c1c(F)ccc(O)c1O)N1CCn2cncc2C1 ZINC001654628490 1171626823 /nfs/dbraw/zinc/62/68/23/1171626823.db2.gz XZXHXUQGNXKKIM-UHFFFAOYSA-N 0 0 277.255 1.089 10 10 CDCERN Cn1cc(/C=C\C(=O)N2CCc3nc(F)ccc32)cn1 ZINC001587343690 1172982356 /nfs/dbraw/zinc/98/23/56/1172982356.db2.gz PYHBFBKBHUKKFR-DJWKRKHSSA-N 0 0 272.283 1.557 10 10 CDCERN O=C(NCc1c(O)cccc1O)C1=C[S@@](=O)CCC1 ZINC001597578892 1174282560 /nfs/dbraw/zinc/28/25/60/1174282560.db2.gz FMKZWKJZNIEHPW-IBGZPJMESA-N 0 0 281.333 1.140 10 10 CDCERN COc1ccc(CNC(=O)NCc2cnc(C)o2)c(O)c1 ZINC001686746687 1174774655 /nfs/dbraw/zinc/77/46/55/1174774655.db2.gz CERIGRXUOIVLIK-UHFFFAOYSA-N 0 0 291.307 1.697 10 10 CDCERN NC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)o1 ZINC001606860691 1164017661 /nfs/dbraw/zinc/01/76/61/1164017661.db2.gz PXAZFRPWQDHIFC-UHFFFAOYSA-N 0 0 294.694 1.668 10 10 CDCERN CCC1(NC(=O)Cc2ccc(O)c(O)c2)CCOCC1 ZINC001631840769 1166306574 /nfs/dbraw/zinc/30/65/74/1166306574.db2.gz QUAPVIXVRQVJEY-UHFFFAOYSA-N 0 0 279.336 1.716 10 10 CDCERN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(OC)OC ZINC001635916400 1166633252 /nfs/dbraw/zinc/63/32/52/1166633252.db2.gz ZQPOOHBMAHFIEQ-SNVBAGLBSA-N 0 0 283.324 1.154 10 10 CDCERN CCC(CC)(CO)C(=O)NCc1cc(O)ccc1O ZINC001637125994 1166726070 /nfs/dbraw/zinc/72/60/70/1166726070.db2.gz JUWCAMMKVXLENG-UHFFFAOYSA-N 0 0 267.325 1.513 10 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10 10 CDCERN CN(C)C(=O)C1(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928708513 844478934 /nfs/dbraw/zinc/47/89/34/844478934.db2.gz NJIOFMJZUGPUEV-UHFFFAOYSA-N 0 0 280.299 1.016 10 10 CDCERN CO[C@@H](C)c1nc(C)c(C(=O)OCC(=O)C(C)=O)s1 ZINC000808524175 844529282 /nfs/dbraw/zinc/52/92/82/844529282.db2.gz ZBTQMOGCKRHQFK-QMMMGPOBSA-N 0 0 285.321 1.474 10 10 CDCERN COC[C@H](CCNC(=O)NCc1cc(C)ccc1O)OC ZINC000858599588 844533690 /nfs/dbraw/zinc/53/36/90/844533690.db2.gz KQFRRNRJZIDOSA-ZDUSSCGKSA-N 0 0 296.367 1.551 10 10 CDCERN CC(C)(C[NH2+]Cc1ccccc1O)[C@@]1(O)CCOC1 ZINC000842758084 843008296 /nfs/dbraw/zinc/00/82/96/843008296.db2.gz GJPZOXDSDBCJJE-OAHLLOKOSA-N 0 0 265.353 1.659 10 10 CDCERN Cc1ccn([C@H](C)CC(=O)NCc2ccc(O)c(O)c2)n1 ZINC000830559767 843020166 /nfs/dbraw/zinc/02/01/66/843020166.db2.gz VKDIVIFEFHTRCW-LLVKDONJSA-N 0 0 289.335 1.870 10 10 CDCERN CC1CCN(C(=O)C(=O)NCc2c(O)cccc2F)CC1 ZINC000928707733 843413151 /nfs/dbraw/zinc/41/31/51/843413151.db2.gz HJAPAXXLQHARDT-UHFFFAOYSA-N 0 0 294.326 1.406 10 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O=C1CN(Cc2cc3c(cc2O)CCC3)CCN1C1CC1 ZINC000748265398 576903501 /nfs/dbraw/zinc/90/35/01/576903501.db2.gz VOZXSYVDESCXRL-UHFFFAOYSA-N 0 0 286.375 1.688 10 10 CDCERN CC(C)Nc1ccccc1NCc1nnc2c(=O)[nH]ccn12 ZINC000902104422 618563181 /nfs/dbraw/zinc/56/31/81/618563181.db2.gz BWSYQIUKWPAZOY-UHFFFAOYSA-N 0 0 298.350 1.850 10 10 CDCERN COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(C)cc1O ZINC000895861909 619869741 /nfs/dbraw/zinc/86/97/41/619869741.db2.gz DOPUTPUTLCNJEZ-KGLIPLIRSA-N 0 0 293.363 1.901 10 10 CDCERN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccccc1O ZINC000895865084 619880628 /nfs/dbraw/zinc/88/06/28/619880628.db2.gz RNWXBDCKPZLWHQ-CHWSQXEVSA-N 0 0 279.336 1.593 10 10 CDCERN COC[C@@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928705455 620504397 /nfs/dbraw/zinc/50/43/97/620504397.db2.gz KFXWVJHMDQUFHC-VIFPVBQESA-N 0 0 255.289 1.820 10 10 CDCERN CO[C@H](C)CCC(=O)NCc1c(O)cccc1F ZINC000928708541 620505924 /nfs/dbraw/zinc/50/59/24/620505924.db2.gz OIAIRMDNYAXSGV-SECBINFHSA-N 0 0 255.289 1.963 10 10 CDCERN C[C@@H](NC(=O)[C@H](N)C(F)(F)F)c1ccccc1O ZINC000870988435 620565340 /nfs/dbraw/zinc/56/53/40/620565340.db2.gz PDWAVYJNCADWBD-MUWHJKNJSA-N 0 0 262.231 1.459 10 10 CDCERN O=C(NC[C@H]1C[C@H](O)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899194023 622089367 /nfs/dbraw/zinc/08/93/67/622089367.db2.gz YVSKVFHOJUZGNK-XWEPSHTISA-N 0 0 293.344 1.813 10 10 CDCERN O=C1N=C(N2CCOCC2)S/C1=C/c1ccns1 ZINC000901444175 624255567 /nfs/dbraw/zinc/25/55/67/624255567.db2.gz UPIQFGCMOKRGPW-VQHVLOKHSA-N 0 0 281.362 1.446 10 10 CDCERN CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000907060150 627514468 /nfs/dbraw/zinc/51/44/68/627514468.db2.gz LEBFKYVKRYAURW-OWYVNGRQSA-N 0 0 279.336 1.688 10 10 CDCERN CN(C)c1ccc(CNC(=O)Cc2ccon2)cc1F ZINC000151712561 630733881 /nfs/dbraw/zinc/73/38/81/630733881.db2.gz JJFYBUQZWNSCLR-UHFFFAOYSA-N 0 0 277.299 1.739 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001649057385 1161353035 /nfs/dbraw/zinc/35/30/35/1161353035.db2.gz SDEFYCGVIZPZIG-OPQQBVKSSA-N 0 0 263.293 1.076 10 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/nfs/dbraw/zinc/78/01/73/970780173.db2.gz KJWKRZMJUIRHNF-HWKANZROSA-N 0 0 298.302 1.931 10 10 CDCERN CN(C)c1cc(C(=O)NCc2ccc(O)cc2O)ccn1 ZINC001299574675 945560020 /nfs/dbraw/zinc/56/00/20/945560020.db2.gz SWMZYPOQDRCMDF-UHFFFAOYSA-N 0 0 287.319 1.489 10 10 CDCERN CO[C@@H]1CC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1 ZINC001261596365 946190528 /nfs/dbraw/zinc/19/05/28/946190528.db2.gz ABWPPWKFYFFTMI-WDEREUQCSA-N 0 0 294.303 1.639 10 10 CDCERN CC(=O)C(=O)COC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC001261597873 946190754 /nfs/dbraw/zinc/19/07/54/946190754.db2.gz IMNBKUSJDQTVKD-VIFPVBQESA-N 0 0 292.213 1.078 10 10 CDCERN C[C@H](O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001295535309 954695717 /nfs/dbraw/zinc/69/57/17/954695717.db2.gz MRWYFXQUDIFECO-GXSJLCMTSA-N 0 0 290.323 1.692 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[C@H](O)C2)cc1 ZINC001297483016 955037594 /nfs/dbraw/zinc/03/75/94/955037594.db2.gz BZGXXRKPCHBLRY-SKDRFNHKSA-N 0 0 290.323 1.740 10 10 CDCERN COC(=O)NC1CN(C/C=C\c2ccc(N(C)C)cc2)C1 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ZINC001456326026 968936100 /nfs/dbraw/zinc/93/61/00/968936100.db2.gz VWBZHEDYADHBKA-UHFFFAOYSA-N 0 0 263.293 1.473 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1cncc(F)c1 ZINC001467587280 970078746 /nfs/dbraw/zinc/07/87/46/970078746.db2.gz LBVSZIWDRVAYDV-UHFFFAOYSA-N 0 0 262.240 1.813 10 10 CDCERN C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1CO ZINC001470417359 970326138 /nfs/dbraw/zinc/32/61/38/970326138.db2.gz UXQHASYQCDMEIT-JQWIXIFHSA-N 0 0 279.336 1.117 10 10 CDCERN CN(Cc1cccc(=O)[nH]1)C(=O)C1=CC(=O)CS1 ZINC001472040669 970545972 /nfs/dbraw/zinc/54/59/72/970545972.db2.gz QWXWJHRGDJKDFY-UHFFFAOYSA-N 0 0 264.306 1.827 10 10 CDCERN O=C(CCc1cnccn1)NCc1c(O)cccc1F ZINC001596916736 1174249473 /nfs/dbraw/zinc/24/94/73/1174249473.db2.gz NDPNYOBZNNPYAH-UHFFFAOYSA-N 0 0 275.283 1.570 10 10 CDCERN Cc1nc(C)c(CNC(=O)c2ccc(C)c(O)c2O)[nH]1 ZINC001596960312 1174252486 /nfs/dbraw/zinc/25/24/86/1174252486.db2.gz VAHBIRXNQKZFGD-UHFFFAOYSA-N 0 0 275.308 1.676 10 10 CDCERN Cn1cc([C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)nn1 ZINC001653604225 1171554204 /nfs/dbraw/zinc/55/42/04/1171554204.db2.gz AKVQVRBFBVZGMQ-VIFPVBQESA-N 0 0 292.364 1.602 10 10 CDCERN CCCOc1cc(N2CC(O)C2)ccc1[N+](=O)[O-] ZINC000104232518 185938131 /nfs/dbraw/zinc/93/81/31/185938131.db2.gz MEGLEAGTQYQKDJ-UHFFFAOYSA-N 0 0 252.270 1.565 10 10 CDCERN C[S@@](=O)c1cc2c(o1)C(=O)c1ccccc1C2=O ZINC000112990953 349241071 /nfs/dbraw/zinc/24/10/71/349241071.db2.gz BDVOUHPOXRKREC-SFHVURJKSA-N 0 0 260.270 1.792 10 10 CDCERN CC(=O)[C@@H](N=Nc1cnn(C)c1)C(=O)OC(C)(C)C ZINC000616220955 349380100 /nfs/dbraw/zinc/38/01/00/349380100.db2.gz NLHXAYMVGNXXTN-SNVBAGLBSA-N 0 0 266.301 1.803 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000181213127 357323814 /nfs/dbraw/zinc/32/38/14/357323814.db2.gz PQJWIURVFHNNCA-ZYARKTQMSA-N 0 0 291.347 1.778 10 10 CDCERN CC[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCNC1=O ZINC000294538074 199077243 /nfs/dbraw/zinc/07/72/43/199077243.db2.gz DNTOSGJUUVUVJI-LLVKDONJSA-N 0 0 286.734 1.895 10 10 CDCERN Cc1cc(C[C@H](C)NC(=O)NCc2ccccc2O)[nH]n1 ZINC000269032728 364127918 /nfs/dbraw/zinc/12/79/18/364127918.db2.gz SYHDFPGVLFCQOG-JTQLQIEISA-N 0 0 288.351 1.854 10 10 CDCERN CC1=NN(c2ccccc2)C(=O)C1=C1NCCCN1 ZINC000170610667 364261460 /nfs/dbraw/zinc/26/14/60/364261460.db2.gz XCPLDIPJPPGBPL-UHFFFAOYSA-N 0 0 256.309 1.204 10 10 CDCERN CC(=O)c1cc(F)cc(CN2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282212346 367776980 /nfs/dbraw/zinc/77/69/80/367776980.db2.gz OMULSTZSGPMZFK-SECBINFHSA-N 0 0 294.326 1.396 10 10 CDCERN COc1ccc(O)c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000285218926 368598297 /nfs/dbraw/zinc/59/82/97/368598297.db2.gz RQJIQLDMHDHHKU-SWLSCSKDSA-N 0 0 297.395 1.648 10 10 CDCERN Cc1ccc(C(=O)NC2(CCO)CCCC2)c(O)c1O ZINC000285865342 368664369 /nfs/dbraw/zinc/66/43/69/368664369.db2.gz CJAQIMTYYJJVTR-UHFFFAOYSA-N 0 0 279.336 1.831 10 10 CDCERN Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)c(O)c1O ZINC000182577571 391236946 /nfs/dbraw/zinc/23/69/46/391236946.db2.gz ULCYJLFYAYHKBF-JTQLQIEISA-N 0 0 288.307 1.263 10 10 CDCERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)c(O)c1O ZINC000182820372 391245830 /nfs/dbraw/zinc/24/58/30/391245830.db2.gz CUFYKWUQCALYPE-DTWKUNHWSA-N 0 0 253.298 1.153 10 10 CDCERN Cc1cc(CN(C)C(=O)c2ccc(C)c(O)c2O)no1 ZINC000179421682 391204713 /nfs/dbraw/zinc/20/47/13/391204713.db2.gz DGYXIYKZNDZPHF-UHFFFAOYSA-N 0 0 276.292 1.975 10 10 CDCERN C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022155423 171362111 /nfs/dbraw/zinc/36/21/11/171362111.db2.gz RTBKHOBOPPWHAC-TUAOUCFPSA-N 0 0 277.368 1.705 10 10 CDCERN C[C@@H]1CN(C(=O)CCc2ccc(N)cc2)C[C@H](C)O1 ZINC000037222709 173043076 /nfs/dbraw/zinc/04/30/76/173043076.db2.gz AHJJTHWDZVMZAU-TXEJJXNPSA-N 0 0 262.353 1.837 10 10 CDCERN CNC(=O)Cn1cc(-c2ccnc3c2ccn3C)cn1 ZINC000077487817 177274409 /nfs/dbraw/zinc/27/44/09/177274409.db2.gz QCHBIQZHOZCAFY-UHFFFAOYSA-N 0 0 269.308 1.183 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC2(C1)CCCOC2 ZINC000377192969 268055009 /nfs/dbraw/zinc/05/50/09/268055009.db2.gz NCWMVVODPGMTHI-UHFFFAOYSA-N 0 0 263.293 1.350 10 10 CDCERN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000278478733 521878452 /nfs/dbraw/zinc/87/84/52/521878452.db2.gz JAHUDHCSSOGEPY-JOYOIKCWSA-N 0 0 296.323 1.560 10 10 CDCERN COCCOCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000290236851 523999889 /nfs/dbraw/zinc/99/98/89/523999889.db2.gz UEVGIQXOKFJMRK-UHFFFAOYSA-N 0 0 257.305 1.626 10 10 CDCERN C[C@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1ccccc1O ZINC000276106304 525049483 /nfs/dbraw/zinc/04/94/83/525049483.db2.gz WQFAIPJYJMCUNX-ZWNOBZJWSA-N 0 0 285.365 1.331 10 10 CDCERN C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(F)cc1[O-] ZINC000062748413 525607230 /nfs/dbraw/zinc/60/72/30/525607230.db2.gz CWIGLHDRMUAPTH-KWQFWETISA-N 0 0 252.289 1.461 10 10 CDCERN COc1ccc(N2CCN(C(=O)CC(N)=S)CC2)cc1 ZINC000034956397 536677316 /nfs/dbraw/zinc/67/73/16/536677316.db2.gz CJCBQZBLGSICAL-UHFFFAOYSA-N 0 0 293.392 1.020 10 10 CDCERN C[C@@H](NC(=O)NCC1(CC(N)=O)CC1)c1ccccc1O ZINC001682146056 1174609402 /nfs/dbraw/zinc/60/94/02/1174609402.db2.gz SUDCCTJRYULERN-SNVBAGLBSA-N 0 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C[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccccc1O ZINC001635799108 1166624717 /nfs/dbraw/zinc/62/47/17/1166624717.db2.gz PLAYYTZYBNQTOO-JTQLQIEISA-N 0 0 284.315 1.982 10 10 CDCERN O=C(/C=C/c1ccncn1)NCCc1ccc(O)c(O)c1 ZINC001636022906 1166643061 /nfs/dbraw/zinc/64/30/61/1166643061.db2.gz TWDPMXHMFVTXLP-DUXPYHPUSA-N 0 0 285.303 1.260 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCn2ccnc21 ZINC001636158835 1166656044 /nfs/dbraw/zinc/65/60/44/1166656044.db2.gz BIKOGXPRVMZKHB-CJHWANRJSA-N 0 0 285.303 1.569 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccc(CO)c(F)c1 ZINC001639292935 1166922475 /nfs/dbraw/zinc/92/24/75/1166922475.db2.gz WGAWTRLRDQLLKB-UHFFFAOYSA-N 0 0 291.278 1.659 10 10 CDCERN CN(Cc1c[nH]cn1)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001641301513 1167095614 /nfs/dbraw/zinc/09/56/14/1167095614.db2.gz XVDWWNJOJGDEGK-HYXAFXHYSA-N 0 0 273.292 1.493 10 10 CDCERN C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)c1ccccc1O ZINC001642827163 1167200973 /nfs/dbraw/zinc/20/09/73/1167200973.db2.gz AHNQSWLZDHRHNU-MRVPVSSYSA-N 0 0 261.281 1.322 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294.332 1.538 10 10 CDCERN CNc1ncccc1C(=O)NCc1ccc(O)c(O)c1 ZINC001622664609 1165734710 /nfs/dbraw/zinc/73/47/10/1165734710.db2.gz ZBLLIOSDSFAUPA-UHFFFAOYSA-N 0 0 273.292 1.465 10 10 CDCERN COc1cccc(CN2CCS(=O)(=O)[C@H](C)C2)c1O ZINC000127955544 1166398708 /nfs/dbraw/zinc/39/87/08/1166398708.db2.gz UJFSBHBYRURZTQ-SNVBAGLBSA-N 0 0 285.365 1.020 10 10 CDCERN COC(=O)c1cc(C(=O)NCc2cccc(O)c2O)c[nH]1 ZINC001644711159 1167341418 /nfs/dbraw/zinc/34/14/18/1167341418.db2.gz URXMZQHEJNNIQC-UHFFFAOYSA-N 0 0 290.275 1.143 10 10 CDCERN O=C(NCc1c(O)cccc1O)C1(F)CCCC1 ZINC001647270226 1168507560 /nfs/dbraw/zinc/50/75/60/1168507560.db2.gz OJUBVYCCZHAJDZ-UHFFFAOYSA-N 0 0 253.273 1.996 10 10 CDCERN COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccccc1O ZINC000692338250 896286910 /nfs/dbraw/zinc/28/69/10/896286910.db2.gz ZIFLLBOHVMSAQG-AWEZNQCLSA-N 0 0 265.309 1.458 10 10 CDCERN O=C(NCc1cccc(O)c1O)[C@H]1Cc2ccccc2O1 ZINC001176566291 914184674 /nfs/dbraw/zinc/18/46/74/914184674.db2.gz UHPPKIBVZKEXKD-CQSZACIVSA-N 0 0 285.299 1.718 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@H]1CCc2ncncc2C1 ZINC001176754987 914257996 /nfs/dbraw/zinc/25/79/96/914257996.db2.gz JIGKBQFPBLSMIF-JTQLQIEISA-N 0 0 299.330 1.309 10 10 CDCERN C[C@@H](NC(=O)Cc1nnc(C2CC2)[nH]1)c1ccccc1O ZINC001171723131 910899835 /nfs/dbraw/zinc/89/98/35/910899835.db2.gz MZMKGZBUJLSKQT-SECBINFHSA-N 0 0 286.335 1.808 10 10 CDCERN COc1ccc(CNC(=O)CCc2cc(C)n[nH]2)c(O)c1 ZINC001139033105 936590027 /nfs/dbraw/zinc/59/00/27/936590027.db2.gz XLUSRSUQXCMJPF-UHFFFAOYSA-N 0 0 289.335 1.681 10 10 CDCERN CC(=O)N1CCN(c2ccc(O[C@@H](C)[C@@H](C)O)cc2)CC1 ZINC000270078557 920148075 /nfs/dbraw/zinc/14/80/75/920148075.db2.gz GJOYCOWORYHQTO-OLZOCXBDSA-N 0 0 292.379 1.503 10 10 CDCERN CC(C)C[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001147019768 932397165 /nfs/dbraw/zinc/39/71/65/932397165.db2.gz HJZCCIQJARSXHO-CYBMUJFWSA-N 0 0 293.363 1.914 10 10 CDCERN Cc1cc(COC(=O)c2ccc(C)c(O)c2O)ncn1 ZINC000795376117 934806564 /nfs/dbraw/zinc/80/65/64/934806564.db2.gz ZZIUCARWVQHLMW-UHFFFAOYSA-N 0 0 274.276 1.862 10 10 CDCERN CN1CC2(CN(Cc3c(O)cccc3Cl)C2)OC1=O ZINC001325777820 954071171 /nfs/dbraw/zinc/07/11/71/954071171.db2.gz HDYBPMPPJIBSHD-UHFFFAOYSA-N 0 0 282.727 1.682 10 10 CDCERN COc1cnc(F)c(C(=O)NCc2ccccc2O)c1 ZINC001294926017 954581116 /nfs/dbraw/zinc/58/11/16/954581116.db2.gz WPXFMMAAZSKLJL-UHFFFAOYSA-N 0 0 276.267 1.865 10 10 CDCERN COc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)co1 ZINC001329028019 955637729 /nfs/dbraw/zinc/63/77/29/955637729.db2.gz XHJYCTMHAOIJKJ-QMMMGPOBSA-N 0 0 292.291 1.455 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1cc(F)c[nH]1 ZINC001303195309 956065368 /nfs/dbraw/zinc/06/53/68/956065368.db2.gz TVRWCVFFQVZFSY-UHFFFAOYSA-N 0 0 250.229 1.495 10 10 CDCERN CC(C)N(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC001329782946 956110741 /nfs/dbraw/zinc/11/07/41/956110741.db2.gz VBLSCAWANBEOHK-UHFFFAOYSA-N 0 0 288.347 1.634 10 10 CDCERN COc1cc(C)cc(CN2CC(F)(F)C[C@@H]2CO)c1O ZINC001331571623 957146222 /nfs/dbraw/zinc/14/62/22/957146222.db2.gz ZVFIKCXXSPEXCK-LLVKDONJSA-N 0 0 287.306 1.911 10 10 CDCERN Oc1cccc2c1CN(C(=S)NC[C@@H]1CCOC1)C2 ZINC001331940144 957352559 /nfs/dbraw/zinc/35/25/59/957352559.db2.gz QNRYTVWJUFJXMQ-JTQLQIEISA-N 0 0 278.377 1.619 10 10 CDCERN C[C@]1(O)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001545813398 958221918 /nfs/dbraw/zinc/22/19/18/958221918.db2.gz GVCXYEJXGBNJFN-AWEZNQCLSA-N 0 0 290.323 1.836 10 10 CDCERN Cc1cnc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CCN2C ZINC001440116033 963929477 /nfs/dbraw/zinc/92/94/77/963929477.db2.gz LOZSQDZFVYCBHS-PLNGDYQASA-N 0 0 297.362 1.620 10 10 CDCERN COc1cccc(O)c1CN1CC(=O)N(C)[C@H](C)C1 ZINC001344606629 964379292 /nfs/dbraw/zinc/37/92/92/964379292.db2.gz DINRFXZETYIOHP-SNVBAGLBSA-N 0 0 264.325 1.063 10 10 CDCERN NC(=O)c1c[nH]c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001557387523 965171297 /nfs/dbraw/zinc/17/12/97/965171297.db2.gz UTVSNPMAMNLEAF-UHFFFAOYSA-N 0 0 293.710 1.403 10 10 CDCERN Cc1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1C ZINC001558174015 965243741 /nfs/dbraw/zinc/24/37/41/965243741.db2.gz BVEYXYLPICGKGZ-UHFFFAOYSA-N 0 0 274.320 1.983 10 10 CDCERN O=C(Cc1cnn2ccccc12)NCc1cc(O)ccc1O ZINC001558175523 965244925 /nfs/dbraw/zinc/24/49/25/965244925.db2.gz UIZLDQNNTVZKAB-UHFFFAOYSA-N 0 0 297.314 1.604 10 10 CDCERN CCCc1cc(C(=O)NCc2cc(O)ccc2O)no1 ZINC001558175566 965245879 /nfs/dbraw/zinc/24/58/79/965245879.db2.gz VYOJKOWSGURUIR-UHFFFAOYSA-N 0 0 276.292 1.968 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1cc(CO)ccn1 ZINC001451918773 968030347 /nfs/dbraw/zinc/03/03/47/968030347.db2.gz JVCQJHQXBVOQGU-UHFFFAOYSA-N 0 0 274.276 1.166 10 10 CDCERN O=C(Nc1ccnc(OCCO)c1)C1=CC(=O)CS1 ZINC001454004992 968414276 /nfs/dbraw/zinc/41/42/76/968414276.db2.gz NEAVRGGNXGCETK-UHFFFAOYSA-N 0 0 280.305 1.472 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCS1 ZINC001455357058 968690728 /nfs/dbraw/zinc/69/07/28/968690728.db2.gz NDGSWNYTRFWMIK-NSHDSACASA-N 0 0 253.323 1.610 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1ccn(CC(F)F)n1 ZINC001456029283 968850252 /nfs/dbraw/zinc/85/02/52/968850252.db2.gz LRFJRCUIMAFRRL-UHFFFAOYSA-N 0 0 299.252 1.923 10 10 CDCERN Cn1c(=O)cccc1C(=O)NCc1c(O)cccc1F ZINC001456030891 968851226 /nfs/dbraw/zinc/85/12/26/968851226.db2.gz SJKQHKAYRBZAML-UHFFFAOYSA-N 0 0 276.267 1.160 10 10 CDCERN C[C@H](Cc1cccnc1)NC(=O)c1c(F)ccc(O)c1O ZINC001458035656 969250283 /nfs/dbraw/zinc/25/02/83/969250283.db2.gz VNIXMLYVGBTFCS-SECBINFHSA-N 0 0 290.294 1.993 10 10 CDCERN Cn1cnc(/C=C/C(=O)N2CCc3ncccc32)c1 ZINC001520491297 970193209 /nfs/dbraw/zinc/19/32/09/970193209.db2.gz JGAYDIMNNNABPG-SNAWJCMRSA-N 0 0 254.293 1.418 10 10 CDCERN CC[C@@H](O)[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001469616471 970260869 /nfs/dbraw/zinc/26/08/69/970260869.db2.gz SNVKGSVHPNFQAW-CHWSQXEVSA-N 0 0 293.363 1.792 10 10 CDCERN COCCCSCC(=O)Nc1ccc(N)cc1 ZINC000104444272 186004277 /nfs/dbraw/zinc/00/42/77/186004277.db2.gz ZFIKYNTVPZYXJU-UHFFFAOYSA-N 0 0 254.355 1.977 10 10 CDCERN CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000191426826 358131589 /nfs/dbraw/zinc/13/15/89/358131589.db2.gz PGZFNGMGLNWBRA-OAHLLOKOSA-N 0 0 292.379 1.818 10 10 CDCERN COC[C@H]1CCN1C(=O)c1ccc(C)c(O)c1O ZINC000294409751 371059325 /nfs/dbraw/zinc/05/93/25/371059325.db2.gz RALXLTPIKQXQGT-SECBINFHSA-N 0 0 251.282 1.267 10 10 CDCERN CO[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1C ZINC000275938150 371205478 /nfs/dbraw/zinc/20/54/78/371205478.db2.gz HZYHTDVUKRNKJV-BXKDBHETSA-N 0 0 265.309 1.595 10 10 CDCERN CC[C@@](C)(CO)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000572013499 377658251 /nfs/dbraw/zinc/65/82/51/377658251.db2.gz BWIORYYLFOWDEL-INIZCTEOSA-N 0 0 292.379 1.887 10 10 CDCERN Cc1ccc(C(=O)N2CCN(C3CC3)CC2)c(O)c1O ZINC000182243199 391232977 /nfs/dbraw/zinc/23/29/77/391232977.db2.gz ZRVZSMCUUJSQJM-UHFFFAOYSA-N 0 0 276.336 1.326 10 10 CDCERN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)c(O)c1O ZINC000182819650 391245652 /nfs/dbraw/zinc/24/56/52/391245652.db2.gz QNSMJRVNNJQLTE-PWSUYJOCSA-N 0 0 279.336 1.687 10 10 CDCERN COc1cc([N+](=O)[O-])c(N2C[C@H](O)C3(CC3)C2)cc1OC ZINC000364417613 286248760 /nfs/dbraw/zinc/24/87/60/286248760.db2.gz QCFWAFRNOYYSOL-ZDUSSCGKSA-N 0 0 294.307 1.573 10 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BFSZRXQDRBGRBK-JTQLQIEISA-N 0 0 279.336 1.777 10 10 CDCERN CO[C@@H](C)CN(C(=O)C(=O)Nc1ccc(N)cc1)C(C)C ZINC000841110397 684461664 /nfs/dbraw/zinc/46/16/64/684461664.db2.gz UXAQKFDPENJSKM-NSHDSACASA-N 0 0 293.367 1.479 10 10 CDCERN CCN1CC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000712595706 684474390 /nfs/dbraw/zinc/47/43/90/684474390.db2.gz RUUCOIRQMLZJEN-JTQLQIEISA-N 0 0 256.296 1.854 10 10 CDCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COCC(F)F ZINC000860697135 684506751 /nfs/dbraw/zinc/50/67/51/684506751.db2.gz OEKIDVJCJLJHCM-QMMMGPOBSA-N 0 0 289.278 1.427 10 10 CDCERN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCO3)C2)cc1 ZINC000855230403 684534548 /nfs/dbraw/zinc/53/45/48/684534548.db2.gz VZBHPKXIPNQWMA-IUODEOHRSA-N 0 0 290.363 1.569 10 10 CDCERN Cn1ncc(CNCc2cc(Cl)ccc2O)n1 ZINC000389837412 684596399 /nfs/dbraw/zinc/59/63/99/684596399.db2.gz QKLJXUOZKYBZHJ-UHFFFAOYSA-N 0 0 252.705 1.464 10 10 CDCERN CC(C)OC[C@H](O)COc1ccc(N(C)C)cc1 ZINC000786863049 684607248 /nfs/dbraw/zinc/60/72/48/684607248.db2.gz HJUZZTIJGUILFC-ZDUSSCGKSA-N 0 0 253.342 1.917 10 10 CDCERN COc1ccc(N2CC[C@H](NC(=O)COC(C)C)C2)cc1 ZINC000855230062 684648695 /nfs/dbraw/zinc/64/86/95/684648695.db2.gz MMUURGIJHIRSHO-ZDUSSCGKSA-N 0 0 292.379 1.815 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cncc(OC(C)C)c1 ZINC000808547216 684677055 /nfs/dbraw/zinc/67/70/55/684677055.db2.gz JKLYGKFSUNWREW-UHFFFAOYSA-N 0 0 265.265 1.184 10 10 CDCERN C[C@H](O)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000717426171 684705883 /nfs/dbraw/zinc/70/58/83/684705883.db2.gz ARKMVISRHJCVMK-WKEGUHRASA-N 0 0 280.151 1.530 10 10 CDCERN Cn1nnnc1NCc1cc(Br)ccc1O ZINC000309562188 684790704 /nfs/dbraw/zinc/79/07/04/684790704.db2.gz JTEREZZNYXSSDS-UHFFFAOYSA-N 0 0 284.117 1.290 10 10 CDCERN CN(C)c1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000854271059 684821447 /nfs/dbraw/zinc/82/14/47/684821447.db2.gz VWOLZSNEPQMAIY-ZDUSSCGKSA-N 0 0 298.390 1.897 10 10 CDCERN COc1c(O)c(CNCc2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000775040152 684834265 /nfs/dbraw/zinc/83/42/65/684834265.db2.gz 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/nfs/dbraw/zinc/95/85/01/684958501.db2.gz CKXRLOUZWSMBCQ-SNVBAGLBSA-N 0 0 264.277 1.403 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000808503879 685002006 /nfs/dbraw/zinc/00/20/06/685002006.db2.gz NWPWRCJJVUZEDA-UHFFFAOYSA-N 0 0 288.303 1.588 10 10 CDCERN CC(=O)C(=O)COC(=O)C1(Cc2ccccc2)CC1 ZINC000808524886 685004529 /nfs/dbraw/zinc/00/45/29/685004529.db2.gz KRIROTRIJBVAHQ-UHFFFAOYSA-N 0 0 260.289 1.711 10 10 CDCERN CCCn1cc(C=C2SC(=S)NC2=O)cn1 ZINC000116608786 685025549 /nfs/dbraw/zinc/02/55/49/685025549.db2.gz SAFTXUZHIVINOA-YWEYNIOJSA-N 0 0 253.352 1.782 10 10 CDCERN O=C(NCC1=CCCOC1)NCc1c(O)cccc1F ZINC000922488464 685104123 /nfs/dbraw/zinc/10/41/23/685104123.db2.gz QOPZKBWAKGNCNU-UHFFFAOYSA-N 0 0 280.299 1.677 10 10 CDCERN CN(C)c1ccc(/C=C/CN2CC3(C2)CNC(=O)O3)cc1 ZINC000817418430 685173813 /nfs/dbraw/zinc/17/38/13/685173813.db2.gz PYKVRTFQKZRHAY-ONEGZZNKSA-N 0 0 287.363 1.560 10 10 CDCERN COc1nn(C)cc1NCc1c(O)cccc1OC ZINC000788971141 685185396 /nfs/dbraw/zinc/18/53/96/685185396.db2.gz JOKVARFFUBLQFO-UHFFFAOYSA-N 0 0 263.297 1.755 10 10 CDCERN COc1cc(C)cc(CN2CCn3cnnc3C2)c1O ZINC000164322296 685844055 /nfs/dbraw/zinc/84/40/55/685844055.db2.gz DZROZTXRZFQPRY-UHFFFAOYSA-N 0 0 274.324 1.317 10 10 CDCERN COC(=O)[C@]1(NC(=O)C2=CC(=O)CS2)CCSC1 ZINC000831313910 685880866 /nfs/dbraw/zinc/88/08/66/685880866.db2.gz ONVDDLJMIZDHMB-NSHDSACASA-N 0 0 287.362 1.232 10 10 CDCERN COc1cccc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000120685866 685890888 /nfs/dbraw/zinc/89/08/88/685890888.db2.gz YZUVJLHXYVPFFB-UHFFFAOYSA-N 0 0 280.368 1.747 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@H](O)CC12CCC2 ZINC000857291543 685908589 /nfs/dbraw/zinc/90/85/89/685908589.db2.gz GETOLXIWGZOBJR-JTQLQIEISA-N 0 0 277.320 1.617 10 10 CDCERN CN(C)c1ccc(CN2C(=O)N[C@](C)(CCF)C2=O)cc1 ZINC000849352731 685925605 /nfs/dbraw/zinc/92/56/05/685925605.db2.gz QRSHJHUYZKCHOW-OAHLLOKOSA-N 0 0 293.342 1.923 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000814517983 686017638 /nfs/dbraw/zinc/01/76/38/686017638.db2.gz HMECBYGEQWLSLK-UHFFFAOYSA-N 0 0 279.292 1.574 10 10 CDCERN C[C@H](CNC(=O)C(=O)Nc1ccc(N)cc1)CC(F)F ZINC000843049939 686041521 /nfs/dbraw/zinc/04/15/21/686041521.db2.gz ZBVUOQRCGLRGAG-QMMMGPOBSA-N 0 0 285.294 1.615 10 10 CDCERN COCCN(CCF)Cc1c(O)cccc1OC ZINC000827054460 686067585 /nfs/dbraw/zinc/06/75/85/686067585.db2.gz TYNCUGSOXNBLLV-UHFFFAOYSA-N 0 0 257.305 1.819 10 10 CDCERN C[C@@H]1C(=O)N(C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000843435987 686075568 /nfs/dbraw/zinc/07/55/68/686075568.db2.gz YMXUDVXGYPGMPJ-SNVBAGLBSA-N 0 0 265.332 1.512 10 10 CDCERN COc1ccc(N2CC[C@H](NC(=O)C3(F)CC3)C2)cc1 ZINC000855226406 686133032 /nfs/dbraw/zinc/13/30/32/686133032.db2.gz RQLHJKDCHJCSHA-NSHDSACASA-N 0 0 278.327 1.892 10 10 CDCERN CN(C)c1nccc(N2Cc3cccc(O)c3C2)n1 ZINC000866116695 686242883 /nfs/dbraw/zinc/24/28/83/686242883.db2.gz BEHROGNSUUAGLT-UHFFFAOYSA-N 0 0 256.309 1.768 10 10 CDCERN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000383758445 686354117 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C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000701031772 686856243 /nfs/dbraw/zinc/85/62/43/686856243.db2.gz ZBQBVRBPQPFGED-JNIYBQFBSA-N 0 0 262.353 1.739 10 10 CDCERN COc1cccc(C(=O)COC(=O)C2=CC(=O)CS2)n1 ZINC000811120431 686876051 /nfs/dbraw/zinc/87/60/51/686876051.db2.gz OTMAIBQNMXPYIS-UHFFFAOYSA-N 0 0 293.300 1.897 10 10 CDCERN CCCCn1ncc(C(=O)OCC(=O)C(C)=O)c1C ZINC000808529326 687007007 /nfs/dbraw/zinc/00/70/07/687007007.db2.gz FOLNKFHHYMCFFQ-UHFFFAOYSA-N 0 0 266.297 1.307 10 10 CDCERN CC(C)n1ncc(C(=O)N2Cc3cccc(O)c3C2)c1N ZINC000871204208 687029945 /nfs/dbraw/zinc/02/99/45/687029945.db2.gz BPIQUEXZLZCRFO-UHFFFAOYSA-N 0 0 286.335 1.908 10 10 CDCERN Cc1cc(CN2CCO[C@H](CC(N)=O)C2)ccc1N(C)C ZINC000860011110 687050676 /nfs/dbraw/zinc/05/06/76/687050676.db2.gz UYISMCORLJBYRT-CQSZACIVSA-N 0 0 291.395 1.137 10 10 CDCERN O=C(/C=C\[C@H]1CCCO1)NCc1ccc(O)c(O)c1 ZINC000819398521 687139762 /nfs/dbraw/zinc/13/97/62/687139762.db2.gz MQTLLPQIQANDDZ-VLWUPBBWSA-N 0 0 263.293 1.449 10 10 CDCERN O=C(C[NH2+]Cc1ccccc1O)NCc1ccco1 ZINC000238096177 687148119 /nfs/dbraw/zinc/14/81/19/687148119.db2.gz NJCMYRVFUNWHMZ-UHFFFAOYSA-N 0 0 260.293 1.391 10 10 CDCERN O=S(=O)(CCC[C@H]1CCOC1)NCc1ccccc1O ZINC000827188277 687221358 /nfs/dbraw/zinc/22/13/58/687221358.db2.gz VMYLIEFOGRUKOT-LBPRGKRZSA-N 0 0 299.392 1.628 10 10 CDCERN CC(=O)C(=O)COC(=O)C=C(C)c1cccc(F)c1 ZINC000808517304 687476954 /nfs/dbraw/zinc/47/69/54/687476954.db2.gz WWHOIHHAYBXEOT-RMKNXTFCSA-N 0 0 264.252 1.930 10 10 CDCERN CCN(C(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1CCCOC1 ZINC000846320897 687477423 /nfs/dbraw/zinc/47/74/23/687477423.db2.gz CWXMAEWXFWBHFS-CYBMUJFWSA-N 0 0 291.351 1.235 10 10 CDCERN CC(=O)c1cc(F)cc(CN2CCn3nncc3C2)c1O ZINC000847016527 687495466 /nfs/dbraw/zinc/49/54/66/687495466.db2.gz DGAHCMNAVAITDS-UHFFFAOYSA-N 0 0 290.298 1.341 10 10 CDCERN CN(C)c1ccc(CNC(=O)[C@@]2(C)CCC(=O)NC2)cc1 ZINC000798361259 687525855 /nfs/dbraw/zinc/52/58/55/687525855.db2.gz YJKAOKSGOZVMEW-INIZCTEOSA-N 0 0 289.379 1.285 10 10 CDCERN CCc1cc(N2Cc3cccc(O)c3C2)n2ncnc2n1 ZINC000866118695 687564662 /nfs/dbraw/zinc/56/46/62/687564662.db2.gz FHSQZURGEICUFY-UHFFFAOYSA-N 0 0 281.319 1.913 10 10 CDCERN CN1C[C@H](C[NH2+]Cc2cccc(F)c2[O-])CC1=O ZINC000723583544 687667082 /nfs/dbraw/zinc/66/70/82/687667082.db2.gz USMPTZNSZHWMKX-VIFPVBQESA-N 0 0 252.289 1.099 10 10 CDCERN C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841891831 687721631 /nfs/dbraw/zinc/72/16/31/687721631.db2.gz PVRPHPFFXBEWNW-WVSHTKLVSA-N 0 0 286.715 1.957 10 10 CDCERN CC(=O)C(=O)COC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1 ZINC000808536315 687743234 /nfs/dbraw/zinc/74/32/34/687743234.db2.gz HYLRYUCYHOVYFI-VQHVLOKHSA-N 0 0 291.259 1.699 10 10 CDCERN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@@H](C)C1O ZINC000857318073 687807497 /nfs/dbraw/zinc/80/74/97/687807497.db2.gz XXAXQAUXSZFYHX-HTQZYQBOSA-N 0 0 283.299 1.326 10 10 CDCERN COC[C@]1(C)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000862551296 687852705 /nfs/dbraw/zinc/85/27/05/687852705.db2.gz LOLYOFPXLOLMLF-HNNXBMFYSA-N 0 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CDCERN COC[C@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703307351 922690815 /nfs/dbraw/zinc/69/08/15/922690815.db2.gz IHSQQZKPYOGFPR-GFCCVEGCSA-N 0 0 261.268 1.157 10 10 CDCERN CN(C)c1ccc2c(c1)OCCN2[C@H]1CCCNC1=O ZINC000839533020 936914546 /nfs/dbraw/zinc/91/45/46/936914546.db2.gz ZACATNOIZDFQQT-ZDUSSCGKSA-N 0 0 275.352 1.230 10 10 CDCERN CCc1ncc(CNC(=O)C2=CC(=O)CS2)o1 ZINC000839787312 936926329 /nfs/dbraw/zinc/92/63/29/936926329.db2.gz LRPFTRBXVAOPTR-UHFFFAOYSA-N 0 0 252.295 1.934 10 10 CDCERN Nc1ccc(CCNC(=O)N2CCc3nccnc3C2)cc1 ZINC000851664949 927600734 /nfs/dbraw/zinc/60/07/34/927600734.db2.gz MFBSHFSEBURNDP-UHFFFAOYSA-N 0 0 297.362 1.369 10 10 CDCERN COc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)O)C2)cc1 ZINC000855225490 928375780 /nfs/dbraw/zinc/37/57/80/928375780.db2.gz NTQHGFLFIBDLGM-GFCCVEGCSA-N 0 0 292.379 1.551 10 10 CDCERN CN(C)c1cc(F)c(CN[C@H]2CCNC2=O)cc1F ZINC000858187495 928819170 /nfs/dbraw/zinc/81/91/70/928819170.db2.gz KOFCWQXZHKYQHK-NSHDSACASA-N 0 0 269.295 1.009 10 10 CDCERN C/C=C/CNC(=O)NCc1ccc(OC)cc1O ZINC000858888965 928933234 /nfs/dbraw/zinc/93/32/34/928933234.db2.gz WHOLJJUUCGMLKC-ONEGZZNKSA-N 0 0 250.298 1.776 10 10 CDCERN O=C(NCc1ccc2cccnc2c1O)C1CC(=O)C1 ZINC000862026940 929369783 /nfs/dbraw/zinc/36/97/83/929369783.db2.gz DXILVQDSZWYRMQ-UHFFFAOYSA-N 0 0 270.288 1.536 10 10 CDCERN Cc1ccc(C(=O)N2CCO[C@@H](CCF)C2)c(O)c1O ZINC000863073448 929502651 /nfs/dbraw/zinc/50/26/51/929502651.db2.gz SKCTWHIKNMXAHD-JTQLQIEISA-N 0 0 283.299 1.607 10 10 CDCERN O=C(N[C@H]1CCN(C2CCC2)C1=O)C1=CC(=O)CS1 ZINC000863834892 929621013 /nfs/dbraw/zinc/62/10/13/929621013.db2.gz GXHVMQVMJYRCMX-JTQLQIEISA-N 0 0 280.349 1.337 10 10 CDCERN Nc1ccc(CC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000690339345 931462320 /nfs/dbraw/zinc/46/23/20/931462320.db2.gz IWDJOKKOWPUGNK-CHWSQXEVSA-N 0 0 260.337 1.306 10 10 CDCERN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(Cl)cc1[O-] ZINC000846193491 931992854 /nfs/dbraw/zinc/99/28/54/931992854.db2.gz MHAGWGBFQLMMSJ-MRTMQBJTSA-N 0 0 268.744 1.960 10 10 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O=C(/C=C/[C@H]1CCOC1)NCc1ccc(O)c(O)c1 ZINC001294870406 954571494 /nfs/dbraw/zinc/57/14/94/954571494.db2.gz KEKYIGOKMBDVJP-YWNRKNDBSA-N 0 0 263.293 1.307 10 10 CDCERN O=Cc1c[nH]c(C(=O)NCc2cccc(O)c2O)c1 ZINC001303194920 956063340 /nfs/dbraw/zinc/06/33/40/956063340.db2.gz MEBPTOGDCOZMPW-UHFFFAOYSA-N 0 0 260.249 1.168 10 10 CDCERN COCc1nocc1C(=O)N1Cc2cccc(O)c2C1 ZINC001332242554 957490974 /nfs/dbraw/zinc/49/09/74/957490974.db2.gz DGDJHIJTSVAIAH-UHFFFAOYSA-N 0 0 274.276 1.683 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)C12CCCC2 ZINC001556830291 965107096 /nfs/dbraw/zinc/10/70/96/965107096.db2.gz ADUDTIQIVSATRW-CQSZACIVSA-N 0 0 291.347 1.546 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)C12CCCC2 ZINC001556830290 965107952 /nfs/dbraw/zinc/10/79/52/965107952.db2.gz ADUDTIQIVSATRW-AWEZNQCLSA-N 0 0 291.347 1.546 10 10 CDCERN C[C@H](NC(=O)Cn1nccc1N)c1ccccc1O ZINC001557969467 965220666 /nfs/dbraw/zinc/22/06/66/965220666.db2.gz WWRSHKSYJQGXAC-VIFPVBQESA-N 0 0 260.297 1.048 10 10 CDCERN O=C(c1ccnc2c1CC(=O)N2)N1CCOc2ccccc21 ZINC001540553886 967148110 /nfs/dbraw/zinc/14/81/10/967148110.db2.gz JXLMHMFDMRQLSO-UHFFFAOYSA-N 0 0 295.298 1.615 10 10 CDCERN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F ZINC001451076391 967889716 /nfs/dbraw/zinc/88/97/16/967889716.db2.gz ADGCJNZTTRRQJC-KGFZYKRKSA-N 0 0 293.241 1.068 10 10 CDCERN COC(=O)CN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1 ZINC001353952329 968365915 /nfs/dbraw/zinc/36/59/15/968365915.db2.gz ZAILOUVVAAJDMO-CMDGGOBGSA-N 0 0 299.330 1.640 10 10 CDCERN Cc1noc(C)c1C(=O)NCc1cccc(O)c1O ZINC001455318106 968678088 /nfs/dbraw/zinc/67/80/88/968678088.db2.gz MBWWWOFDTKQJFJ-UHFFFAOYSA-N 0 0 262.265 1.633 10 10 CDCERN CC[C@H](C(=O)NCc1cc(O)ccc1O)N1CCCC1=O ZINC001455357765 968691235 /nfs/dbraw/zinc/69/12/35/968691235.db2.gz UXJHTHAUPCOMOC-GFCCVEGCSA-N 0 0 292.335 1.115 10 10 CDCERN COc1c[nH]c(C(=O)NCc2c(O)cccc2F)cc1=O ZINC001456031471 968851183 /nfs/dbraw/zinc/85/11/83/968851183.db2.gz XLUXGLZYOIWTAG-UHFFFAOYSA-N 0 0 292.266 1.158 10 10 CDCERN CCC[C@](C)(O)C(=O)NCc1cccc(O)c1O ZINC001528771593 968926028 /nfs/dbraw/zinc/92/60/28/968926028.db2.gz QRSDTYBNDDYRQM-ZDUSSCGKSA-N 0 0 253.298 1.265 10 10 CDCERN Cc1oc(C=O)cc1C(=O)NCc1c(O)cccc1O ZINC001456315233 968934075 /nfs/dbraw/zinc/93/40/75/968934075.db2.gz ISOJHGGFTRSVPL-UHFFFAOYSA-N 0 0 275.260 1.742 10 10 CDCERN COC(=O)C1(NCc2ccc(N(C)C)cc2)CCOCC1 ZINC001460106245 969475149 /nfs/dbraw/zinc/47/51/49/969475149.db2.gz HMRSJCCKCMQTSV-UHFFFAOYSA-N 0 0 292.379 1.564 10 10 CDCERN Cc1cnc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CCN2C ZINC001463395670 969733207 /nfs/dbraw/zinc/73/32/07/969733207.db2.gz SWNFMPIVXYRDKV-SNAWJCMRSA-N 0 0 297.362 1.620 10 10 CDCERN CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC ZINC001471888340 970512175 /nfs/dbraw/zinc/51/21/75/970512175.db2.gz OGDJACWNQUOQFZ-JTQLQIEISA-N 0 0 292.295 1.530 10 10 CDCERN CN(C)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411479 357066447 /nfs/dbraw/zinc/06/64/47/357066447.db2.gz YQOOOANROHKLTM-UHFFFAOYSA-N 0 0 273.174 1.806 10 10 CDCERN NC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000058308796 357393503 /nfs/dbraw/zinc/39/35/03/357393503.db2.gz OYRMNTATTXAXGN-INIZCTEOSA-N 0 0 282.343 1.938 10 10 CDCERN COc1ccc(O)c(C[N@H+](C)CC2(CO)CC2)c1 ZINC000188949190 357955107 /nfs/dbraw/zinc/95/51/07/357955107.db2.gz FOLSHSVOLKDCBG-UHFFFAOYSA-N 0 0 251.326 1.605 10 10 CDCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC(CO)C1 ZINC000189218405 357984352 /nfs/dbraw/zinc/98/43/52/357984352.db2.gz QDSWAIQBZSHCFI-UHFFFAOYSA-N 0 0 287.363 1.197 10 10 CDCERN Cn1cc([C@@H]2CCN(C(=O)c3cccc(O)c3O)C2)cn1 ZINC000193074464 358262816 /nfs/dbraw/zinc/26/28/16/358262816.db2.gz BKDHXKPFGNGIOP-SNVBAGLBSA-N 0 0 287.319 1.461 10 10 CDCERN [NH3+][C@H](CCO)c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000044233969 360266777 /nfs/dbraw/zinc/26/67/77/360266777.db2.gz PFZZSALUUOBUSW-SSDOTTSWSA-N 0 0 291.101 1.445 10 10 CDCERN COC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])OC ZINC000293731639 370771268 /nfs/dbraw/zinc/77/12/68/370771268.db2.gz WJAQLKWOHGLTQP-SECBINFHSA-N 0 0 277.723 1.936 10 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CC(C)N1C(=O)CN(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000743745538 576652925 /nfs/dbraw/zinc/65/29/25/576652925.db2.gz BEJYQQHIOPZLRF-UHFFFAOYSA-N 0 0 296.392 1.925 10 10 CDCERN COC(=O)/C(C)=C/COC(=O)c1cccc(O)c1O ZINC000758555996 577116898 /nfs/dbraw/zinc/11/68/98/577116898.db2.gz BLAYLNAGYSZFET-SOFGYWHQSA-N 0 0 266.249 1.374 10 10 CDCERN CC(=O)C(=O)COC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000924348807 617412555 /nfs/dbraw/zinc/41/25/55/617412555.db2.gz AKEAAHURJFSQTK-CMPLNLGQSA-N 0 0 254.282 1.035 10 10 CDCERN COC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1C ZINC000840912619 617635600 /nfs/dbraw/zinc/63/56/00/617635600.db2.gz KPMHCBIRUIGNGE-UHFFFAOYSA-N 0 0 273.354 1.867 10 10 CDCERN Cc1cc(O)c(CN(C)[C@H]2CCNC2=O)c(Cl)c1 ZINC000840920285 617712614 /nfs/dbraw/zinc/71/26/14/617712614.db2.gz FBYBQYAGGYPNOG-NSHDSACASA-N 0 0 268.744 1.674 10 10 CDCERN COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1O ZINC000895866580 619880811 /nfs/dbraw/zinc/88/08/11/619880811.db2.gz XXEPYELHOHFIJW-QWHCGFSZSA-N 0 0 297.326 1.732 10 10 CDCERN C[C@@H](C(=O)NCc1c(O)cccc1F)c1ccnn1C ZINC000928705555 620503476 /nfs/dbraw/zinc/50/34/76/620503476.db2.gz JUORKEPSDJBRJK-SECBINFHSA-N 0 0 277.299 1.685 10 10 CDCERN CC(=O)C(=O)COC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000808504049 1162866116 /nfs/dbraw/zinc/86/61/16/1162866116.db2.gz ZDFMXCFUKYRUHE-UHFFFAOYSA-N 0 0 296.323 1.391 10 10 CDCERN CCC1(NC(=O)c2cccc(O)c2O)CCOCC1 ZINC000389547965 1158754503 /nfs/dbraw/zinc/75/45/03/1158754503.db2.gz OVEKAMDWJFCLQO-UHFFFAOYSA-N 0 0 265.309 1.787 10 10 CDCERN C[C@@](O)(CC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871202989 1165276358 /nfs/dbraw/zinc/27/63/58/1165276358.db2.gz IVBVBZPOCRHFFY-OAHLLOKOSA-N 0 0 261.321 1.786 10 10 CDCERN O=C([C@@H]1C[C@H]2CC(=O)[C@@H]1C2)N1Cc2cccc(O)c2C1 ZINC000871204113 1165276890 /nfs/dbraw/zinc/27/68/90/1165276890.db2.gz CNGPYQSXEGOJRB-MVWJERBFSA-N 0 0 271.316 1.850 10 10 CDCERN C[C@H](Nc1nccc(S(C)(=O)=O)n1)c1ccccc1O ZINC001612764635 1165522073 /nfs/dbraw/zinc/52/20/73/1165522073.db2.gz CRVYTYFSSKVDOO-VIFPVBQESA-N 0 0 293.348 1.759 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303481083 /nfs/dbraw/zinc/48/10/83/303481083.db2.gz DIHVOJALRRXLRU-ZCFIWIBFSA-N 0 0 250.067 1.286 10 10 CDCERN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000185902934 329332220 /nfs/dbraw/zinc/33/22/20/329332220.db2.gz RXUNNRISPKMCRG-SNVBAGLBSA-N 0 0 288.307 1.583 10 10 CDCERN C[C@@H](O)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000230106978 333314660 /nfs/dbraw/zinc/31/46/60/333314660.db2.gz HJIUNJCOERGXAF-SECBINFHSA-N 0 0 265.309 1.331 10 10 CDCERN Cc1c(CN(C)C(=O)c2cccc(O)c2O)cnn1C ZINC000791081797 1162190660 /nfs/dbraw/zinc/19/06/60/1162190660.db2.gz FITZVRWGFZPTLQ-UHFFFAOYSA-N 0 0 275.308 1.412 10 10 CDCERN CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccccc1O ZINC000290954247 523429071 /nfs/dbraw/zinc/42/90/71/523429071.db2.gz MYFNKJUCGATSNR-ZJUUUORDSA-N 0 0 252.314 1.615 10 10 CDCERN CC[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1O ZINC000276664375 523505454 /nfs/dbraw/zinc/50/54/54/523505454.db2.gz YLKAMJDNSPFICG-LBPRGKRZSA-N 0 0 257.261 1.128 10 10 CDCERN O=C1C[C@@]2(CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)CN1 ZINC000366027267 527025343 /nfs/dbraw/zinc/02/53/43/527025343.db2.gz QPARDVATRVUYTG-AWEZNQCLSA-N 0 0 298.745 1.897 10 10 CDCERN CCOCCOCC(=O)NCc1cccc(OC)c1O ZINC000729860070 574825310 /nfs/dbraw/zinc/82/53/10/574825310.db2.gz REGWHRYKABSUPL-UHFFFAOYSA-N 0 0 283.324 1.070 10 10 CDCERN COc1cccc(CNC(=O)/C=C/c2cnccn2)c1O ZINC000769508496 575353738 /nfs/dbraw/zinc/35/37/38/575353738.db2.gz VZEZXHWOUWRJFN-AATRIKPKSA-N 0 0 285.303 1.520 10 10 CDCERN CCOc1ccc(CN2CCN(C3CC3)C(=O)C2)c(O)c1 ZINC000769425159 576353317 /nfs/dbraw/zinc/35/33/17/576353317.db2.gz FBSRYKPHBQKEOS-UHFFFAOYSA-N 0 0 290.363 1.598 10 10 CDCERN CCN(CC(=O)OC)Cc1cc(C)cc(OC)c1O ZINC000754727083 576912704 /nfs/dbraw/zinc/91/27/04/576912704.db2.gz NTPBNONTJKUJKF-UHFFFAOYSA-N 0 0 267.325 1.704 10 10 CDCERN CCn1cncc1S(=O)(=O)NCc1ccccc1O ZINC000751151763 577027873 /nfs/dbraw/zinc/02/78/73/577027873.db2.gz WSNAEOQPNBTFIE-UHFFFAOYSA-N 0 0 281.337 1.087 10 10 CDCERN COc1ccc(CNC(CO)(CO)C(F)(F)F)cc1C ZINC000931055015 617591329 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CCc1cccc(CN2CCn3c(CO)nnc3C2)c1O ZINC000848889629 969338303 /nfs/dbraw/zinc/33/83/03/969338303.db2.gz NQCZQBLDHDLDKY-UHFFFAOYSA-N 0 0 288.351 1.054 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)c1ccsn1 ZINC001465954957 969908998 /nfs/dbraw/zinc/90/89/98/969908998.db2.gz UBDRURCRDDOFJS-UHFFFAOYSA-N 0 0 250.279 1.484 10 10 CDCERN Cn1cnc(/C=C/C(=O)N2CCOc3cccc(F)c32)c1 ZINC001518436984 970022029 /nfs/dbraw/zinc/02/20/29/970022029.db2.gz QEZQNTZXFSKZQC-AATRIKPKSA-N 0 0 287.294 1.998 10 10 CDCERN CC(C)(O)C(C)(C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001468067591 970121672 /nfs/dbraw/zinc/12/16/72/970121672.db2.gz FHKRVDWZKGEJCN-UHFFFAOYSA-N 0 0 281.352 1.554 10 10 CDCERN O=C(NCc1c(O)cccc1O)[C@H]1CCCCO1 ZINC001652626489 1171459014 /nfs/dbraw/zinc/45/90/14/1171459014.db2.gz WHPZXYZPPOASSF-GFCCVEGCSA-N 0 0 251.282 1.283 10 10 CDCERN C[C@H]1CCC(=O)N1C[C@H](O)c1ccc(O)c(O)c1 ZINC000584630339 346504524 /nfs/dbraw/zinc/50/45/24/346504524.db2.gz ZEHZXKYCFBWOHG-UFBFGSQYSA-N 0 0 251.282 1.142 10 10 CDCERN 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CCOc1ccc(O)c(CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282752462 368020844 /nfs/dbraw/zinc/02/08/44/368020844.db2.gz OFKVRPVVEAVSLP-LLVKDONJSA-N 0 0 278.352 1.453 10 10 CDCERN COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000527954360 393005406 /nfs/dbraw/zinc/00/54/06/393005406.db2.gz JGMACNKGPBAJQJ-NZVBXONLSA-N 0 0 281.352 1.591 10 10 CDCERN C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccccc1O ZINC000527956635 393005488 /nfs/dbraw/zinc/00/54/88/393005488.db2.gz RCOMPVMBZPMFMT-BPNCWPANSA-N 0 0 251.326 1.583 10 10 CDCERN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)[C@@H]1CCCO1 ZINC000008906484 170358459 /nfs/dbraw/zinc/35/84/59/170358459.db2.gz GDPBKIYJQUJGLP-NSHDSACASA-N 0 0 273.292 1.032 10 10 CDCERN C[C@H]1SC(=S)N(CCC(=O)NC2CCCC2)C1=O ZINC000011635987 170430312 /nfs/dbraw/zinc/43/03/12/170430312.db2.gz DHWMIPQLZNXUKT-MRVPVSSYSA-N 0 0 286.422 1.684 10 10 CDCERN Nc1ccc(CNS(=O)(=O)c2cccnc2)cc1 ZINC000036288597 172584316 /nfs/dbraw/zinc/58/43/16/172584316.db2.gz ZZIPOOOCJYFOJY-UHFFFAOYSA-N 0 0 263.322 1.142 10 10 CDCERN Nc1ccc(Oc2ccccc2S(N)(=O)=O)cc1 ZINC000038056429 174067501 /nfs/dbraw/zinc/06/75/01/174067501.db2.gz NLDQGVVZIZQRBT-UHFFFAOYSA-N 0 0 264.306 1.709 10 10 CDCERN [NH3+][C@H](CO)c1c([O-])c(Br)ccc1F ZINC000072199086 303480973 /nfs/dbraw/zinc/48/09/73/303480973.db2.gz IMEKWBVNAMFJET-ZCFIWIBFSA-N 0 0 250.067 1.286 10 10 CDCERN [NH3+][C@H](CO)c1ccc(F)c(Br)c1[O-] ZINC000072199098 303481219 /nfs/dbraw/zinc/48/12/19/303481219.db2.gz QIXKLUVCBYHRCB-ZCFIWIBFSA-N 0 0 250.067 1.286 10 10 CDCERN Cc1cc(CS(=O)(=O)NCc2ccccc2O)no1 ZINC000134912204 334108050 /nfs/dbraw/zinc/10/80/50/334108050.db2.gz MLKVRKUUWUTGBI-UHFFFAOYSA-N 0 0 282.321 1.308 10 10 CDCERN CCOC(=O)[C@H](N)CCN(C)c1ccc(OC)cc1 ZINC000062528585 521255621 /nfs/dbraw/zinc/25/56/21/521255621.db2.gz YRICDPOAJSKYGZ-CYBMUJFWSA-N 0 0 266.341 1.412 10 10 CDCERN CN(C)c1ccc(CNc2nc3c(cnn3C)c(N)n2)cc1 ZINC000276339569 522213768 /nfs/dbraw/zinc/21/37/68/522213768.db2.gz WIPCZDIEBUKTOE-UHFFFAOYSA-N 0 0 297.366 1.624 10 10 CDCERN Cc1ccc(C(=O)N(C)CCCCO)c(O)c1O ZINC000276540179 526057837 /nfs/dbraw/zinc/05/78/37/526057837.db2.gz ZUGWZGKDEAFWEA-UHFFFAOYSA-N 0 0 253.298 1.251 10 10 CDCERN CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC001682974374 1174626782 /nfs/dbraw/zinc/62/67/82/1174626782.db2.gz YCQZXZLHEVHKIE-HNNXBMFYSA-N 0 0 291.351 1.202 10 10 CDCERN C[C@H]1CCCN1S(=O)(=O)Nc1ccc(O)cc1F ZINC000769864067 575392705 /nfs/dbraw/zinc/39/27/05/575392705.db2.gz DLOCXRXIFDEYLY-QMMMGPOBSA-N 0 0 274.317 1.672 10 10 CDCERN CCOCCOCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018195 575774585 /nfs/dbraw/zinc/77/45/85/575774585.db2.gz XWKHINUBKQUCFG-ZDUSSCGKSA-N 0 0 294.395 1.983 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCOC[C@H]1C ZINC000768197148 576263998 /nfs/dbraw/zinc/26/39/98/576263998.db2.gz OWNHKFZSWPQOJF-WZRBSPASSA-N 0 0 293.363 1.818 10 10 CDCERN Oc1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)O3)[C@@H](O)CO2 ZINC000768465770 576287976 /nfs/dbraw/zinc/28/79/76/576287976.db2.gz KXBYQXKKFZJIPN-WDMOLILDSA-N 0 0 277.320 1.181 10 10 CDCERN C[C@H](NC(=O)[C@H]1CCC(=O)O1)c1ccc(N(C)C)cc1 ZINC000867503211 617720082 /nfs/dbraw/zinc/72/00/82/617720082.db2.gz HUCLSBDUHVPNAA-GXFFZTMASA-N 0 0 276.336 1.635 10 10 CDCERN CCOc1cccc(CN2CCO[C@H]([C@H](C)O)C2)c1O ZINC000840976308 617977822 /nfs/dbraw/zinc/97/78/22/617977822.db2.gz DGJMPORCRRFYRK-FZMZJTMJSA-N 0 0 281.352 1.373 10 10 CDCERN COC(C)(C)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000928597354 619678734 /nfs/dbraw/zinc/67/87/34/619678734.db2.gz DBDSBCBHRYCALS-VIFPVBQESA-N 0 0 267.325 1.950 10 10 CDCERN COC[C@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928705453 620504130 /nfs/dbraw/zinc/50/41/30/620504130.db2.gz KFXWVJHMDQUFHC-SECBINFHSA-N 0 0 255.289 1.820 10 10 CDCERN CC(C)(C)n1cc(C(=O)NCc2c(O)cccc2F)nn1 ZINC000928707127 620505052 /nfs/dbraw/zinc/50/50/52/620505052.db2.gz APBBRDPNTXVHBD-UHFFFAOYSA-N 0 0 292.314 1.808 10 10 CDCERN C[C@H]1C[C@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897528920 620923974 /nfs/dbraw/zinc/92/39/74/620923974.db2.gz CUEGIWZDOCVADW-CBAPKCEASA-N 0 0 293.344 1.908 10 10 CDCERN CCC/C=C\[C@H](O)C(=O)NCc1ccc(O)c(O)c1 ZINC000901133870 623893000 /nfs/dbraw/zinc/89/30/00/623893000.db2.gz ZGPIAOYWVIBXMR-RXNFCKPNSA-N 0 0 265.309 1.431 10 10 CDCERN Cc1nc(NCc2cc(F)cc(F)c2O)nn1C ZINC000905412898 626803375 /nfs/dbraw/zinc/80/33/75/626803375.db2.gz JEJBCFGBZTVQEI-UHFFFAOYSA-N 0 0 254.240 1.719 10 10 CDCERN C[C@H](C(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCCO1 ZINC000907060031 627514269 /nfs/dbraw/zinc/51/42/69/627514269.db2.gz LQPPEAQWYYJJOV-ZANVPECISA-N 0 0 265.309 1.529 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[C@@H]1CCCO1 ZINC000907274539 627578995 /nfs/dbraw/zinc/57/89/95/627578995.db2.gz RIEXDZUCTPCVOW-ZETOZRRWSA-N 0 0 293.363 1.960 10 10 CDCERN O=C(CCOCC1CC1)NCc1ccc(O)cc1O ZINC000910951541 629115673 /nfs/dbraw/zinc/11/56/73/629115673.db2.gz SJFYRACCPHLNRY-UHFFFAOYSA-N 0 0 265.309 1.531 10 10 CDCERN CCC/C=C/[C@H](O)C(=O)NCc1ccc(O)cc1O ZINC000910957011 629118226 /nfs/dbraw/zinc/11/82/26/629118226.db2.gz NJFLKHLDWHFKKQ-ITKZLYELSA-N 0 0 265.309 1.431 10 10 CDCERN CO[C@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910944701 629125936 /nfs/dbraw/zinc/12/59/36/629125936.db2.gz XLUPKHQOLJPDOT-CABZTGNLSA-N 0 0 265.309 1.529 10 10 CDCERN COc1ccc(N(C)CCN(C)C(=O)CCF)cc1 ZINC000911893957 629620932 /nfs/dbraw/zinc/62/09/32/629620932.db2.gz VFADQCDGOXBQCN-UHFFFAOYSA-N 0 0 268.332 1.949 10 10 CDCERN CC[NH+](CC)CCNC(=O)NCc1c(O)cccc1F ZINC000913830514 630815185 /nfs/dbraw/zinc/81/51/85/630815185.db2.gz BTOIJWLOEYPJDY-UHFFFAOYSA-N 0 0 283.347 1.672 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nncs1 ZINC000152987943 631442060 /nfs/dbraw/zinc/44/20/60/631442060.db2.gz XTXPGGRHESJVRE-SSDOTTSWSA-N 0 0 294.336 1.702 10 10 CDCERN CC[C@H]([NH2+]CCc1nnnn1C)c1cccc(Cl)c1[O-] ZINC000806143174 1162653770 /nfs/dbraw/zinc/65/37/70/1162653770.db2.gz KCNUUALQTYKLLZ-NSHDSACASA-N 0 0 295.774 1.853 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(OC(C)(C)C)nc1 ZINC000808534429 1162872594 /nfs/dbraw/zinc/87/25/94/1162872594.db2.gz NEXFIUHESIYSMA-UHFFFAOYSA-N 0 0 279.292 1.574 10 10 CDCERN Cc1cnccc1CC(=O)NCc1ccccc1O ZINC001545681780 1161980243 /nfs/dbraw/zinc/98/02/43/1161980243.db2.gz BMFPBNPLJRSVMM-UHFFFAOYSA-N 0 0 256.305 1.955 10 10 CDCERN C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001623107858 1165749089 /nfs/dbraw/zinc/74/90/89/1165749089.db2.gz UEEPIACIZWBBIK-CQSZACIVSA-N 0 0 265.309 1.014 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1nc(C2CC2)no1 ZINC001626870074 1165964101 /nfs/dbraw/zinc/96/41/01/1165964101.db2.gz RPVIUGDGYCNCBJ-UHFFFAOYSA-N 0 0 289.291 1.217 10 10 CDCERN CN(Cc1cnccn1)C(=O)Cc1ccc(O)c(O)c1 ZINC001628430247 1166071816 /nfs/dbraw/zinc/07/18/16/1166071816.db2.gz UDNHJWJYWKAARG-UHFFFAOYSA-N 0 0 273.292 1.089 10 10 CDCERN CCc1c[nH]c(=O)c(C(=O)NCc2ccccc2O)c1 ZINC001631539698 1166284667 /nfs/dbraw/zinc/28/46/67/1166284667.db2.gz CDOMQZMHLOAQRJ-UHFFFAOYSA-N 0 0 272.304 1.985 10 10 CDCERN CNC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC001632247214 1166339522 /nfs/dbraw/zinc/33/95/22/1166339522.db2.gz VHEGHCQXJFQXKR-SNVBAGLBSA-N 0 0 299.330 1.638 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1nnc2ccccc2n1 ZINC001635367092 1166581853 /nfs/dbraw/zinc/58/18/53/1166581853.db2.gz YNWJLBZCCZFAMY-UHFFFAOYSA-N 0 0 298.277 1.800 10 10 CDCERN CN(Cc1ccccc1O)C(=O)c1cncc2nc[nH]c21 ZINC001635658327 1166610672 /nfs/dbraw/zinc/61/06/72/1166610672.db2.gz QDXCWTSSGRNTNH-UHFFFAOYSA-N 0 0 282.303 1.936 10 10 CDCERN O=C(NCc1ccccc1O)c1cccc2c1NC(=O)CO2 ZINC001636057687 1166647907 /nfs/dbraw/zinc/64/79/07/1166647907.db2.gz IJNWNIHTNAURPU-UHFFFAOYSA-N 0 0 298.298 1.653 10 10 CDCERN O=C(NCc1c(O)cccc1O)C1(Br)CC1 ZINC001639292693 1166922171 /nfs/dbraw/zinc/92/21/71/1166922171.db2.gz MUCBDCFIPNCKGW-UHFFFAOYSA-N 0 0 286.125 1.642 10 10 CDCERN O=C(CCc1ncc[nH]1)NCc1ccc2cccnc2c1O ZINC001639621701 1166957083 /nfs/dbraw/zinc/95/70/83/1166957083.db2.gz PRNOYAOQUCAYMD-UHFFFAOYSA-N 0 0 296.330 1.913 10 10 CDCERN COc1cc(NC(=O)c2ccc(C)c(O)c2O)[nH]n1 ZINC001641524209 1167114382 /nfs/dbraw/zinc/11/43/82/1167114382.db2.gz TVMQONNFYOVCKO-UHFFFAOYSA-N 0 0 263.253 1.390 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cccc2ncnn21 ZINC001643104403 1167226270 /nfs/dbraw/zinc/22/62/70/1167226270.db2.gz XCTRJGYCGLWXNH-UHFFFAOYSA-N 0 0 284.275 1.071 10 10 CDCERN CCCNC(=O)CCC(=O)NCc1cc(O)ccc1O ZINC001643882426 1167277082 /nfs/dbraw/zinc/27/70/82/1167277082.db2.gz WNFRWSWZNHVDSS-UHFFFAOYSA-N 0 0 280.324 1.020 10 10 CDCERN C[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ncnn21 ZINC001645373148 1167397233 /nfs/dbraw/zinc/39/72/33/1167397233.db2.gz DCBKRXCDYVZAPO-SCZZXKLOSA-N 0 0 288.307 1.054 10 10 CDCERN Cn1cc(C(=O)NCc2ccc3cccnc3c2O)cn1 ZINC001557120912 1168061295 /nfs/dbraw/zinc/06/12/95/1168061295.db2.gz GTLNGRFYESVSSB-UHFFFAOYSA-N 0 0 282.303 1.604 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cc(Cl)no1 ZINC001651225394 1171303693 /nfs/dbraw/zinc/30/36/93/1171303693.db2.gz HQWGCKDEFQRBQG-UHFFFAOYSA-N 0 0 268.656 1.669 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCS1 ZINC001651225764 1171305806 /nfs/dbraw/zinc/30/58/06/1171305806.db2.gz XMKBQUFUSDFKOV-LBPRGKRZSA-N 0 0 267.350 2.000 10 10 CDCERN COC(=O)c1ccnc(NCc2c(O)cccc2F)n1 ZINC001651438788 1171324494 /nfs/dbraw/zinc/32/44/94/1171324494.db2.gz QVEMKRVPXAGMEQ-UHFFFAOYSA-N 0 0 277.255 1.720 10 10 CDCERN CN(C[C@@H](O)c1cccnc1)C(=O)c1cccc(O)c1O ZINC001653447491 1171545818 /nfs/dbraw/zinc/54/58/18/1171545818.db2.gz JYLRXJDWBQWRSY-CYBMUJFWSA-N 0 0 288.303 1.298 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CCCOC1 ZINC001585514524 1172904807 /nfs/dbraw/zinc/90/48/07/1172904807.db2.gz LSMJQQIJILEASD-LLVKDONJSA-N 0 0 279.336 1.573 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccnc2ccncc21 ZINC001587536592 1172989770 /nfs/dbraw/zinc/98/97/70/1172989770.db2.gz RSKUHKQVQQUEMH-UHFFFAOYSA-N 0 0 295.298 1.644 10 10 CDCERN O=Cc1ccc(C(=O)NCc2cc(O)ccc2O)[nH]1 ZINC001593873761 1174173323 /nfs/dbraw/zinc/17/33/23/1174173323.db2.gz ZTAVPPBVWONZJQ-UHFFFAOYSA-N 0 0 260.249 1.168 10 10 CDCERN Cc1nnc(CC(=O)NCc2cc(O)ccc2O)s1 ZINC001593873120 1174173776 /nfs/dbraw/zinc/17/37/76/1174173776.db2.gz JIFGHLJGHOABGK-UHFFFAOYSA-N 0 0 279.321 1.117 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@H]1CCn2cncc2C1 ZINC001593872709 1174174361 /nfs/dbraw/zinc/17/43/61/1174174361.db2.gz BHCNJPUZFLEUHM-JTQLQIEISA-N 0 0 287.319 1.173 10 10 CDCERN Cc1cccc(C(=O)C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001595596353 1174208691 /nfs/dbraw/zinc/20/86/91/1174208691.db2.gz VBMQKTODPLVYMJ-UHFFFAOYSA-N 0 0 285.299 1.905 10 10 CDCERN CN(Cc1ccccc1O)C(=O)NCc1ccc(=O)[nH]n1 ZINC001681411286 1174578219 /nfs/dbraw/zinc/57/82/19/1174578219.db2.gz HHHHWMVYJBWTBN-UHFFFAOYSA-N 0 0 288.307 1.229 10 10 CDCERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(O)c1O ZINC000248721056 1181115510 /nfs/dbraw/zinc/11/55/10/1181115510.db2.gz GNUPEIYDVJMUBP-ZLKJLUDKSA-N 0 0 289.331 1.785 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@]12CCOC2 ZINC001607726346 1164278163 /nfs/dbraw/zinc/27/81/63/1164278163.db2.gz YMWIXOYSBFWKEJ-MRXNPFEDSA-N 0 0 291.347 1.812 10 10 CDCERN COc1c([O-])c(C[NH2+]C[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000862547846 735302673 /nfs/dbraw/zinc/30/26/73/735302673.db2.gz QTHLMELJFPCZJG-JGZJWPJOSA-N 0 0 296.323 1.824 10 10 CDCERN CCCN(C)S(=O)(=O)Nc1ccc(O)cc1OCC ZINC000790409732 735498300 /nfs/dbraw/zinc/49/83/00/735498300.db2.gz WCOWXHBDSKFHBQ-UHFFFAOYSA-N 0 0 288.369 1.789 10 10 CDCERN CN(C(=O)Nc1ccc(N)cc1)[C@@H]1CCCCN(C)C1=O ZINC000868162458 735501722 /nfs/dbraw/zinc/50/17/22/735501722.db2.gz HPUIKQOGIIYEIR-CYBMUJFWSA-N 0 0 290.367 1.743 10 10 CDCERN Cc1ccc(O)c(CNC(=O)[C@@H](C)c2ccnn2C)c1 ZINC000862755691 735524062 /nfs/dbraw/zinc/52/40/62/735524062.db2.gz WKAQDCLYJKMXLU-NSHDSACASA-N 0 0 273.336 1.854 10 10 CDCERN Cc1ccc(C(=O)N2CCc3nccnc3C2)c(O)c1O ZINC000856241915 735544752 /nfs/dbraw/zinc/54/47/52/735544752.db2.gz JEHXLFIKPGIMHF-UHFFFAOYSA-N 0 0 285.303 1.395 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(O)ccc1Cl ZINC000808544521 735788983 /nfs/dbraw/zinc/78/89/83/735788983.db2.gz OYDGGORUSHLHRW-UHFFFAOYSA-N 0 0 256.641 1.361 10 10 CDCERN O=C(NCc1ccccc1O)C1(N2CCOCC2)CCC1 ZINC000782740986 735820527 /nfs/dbraw/zinc/82/05/27/735820527.db2.gz 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CDCERN Nc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000868061161 756937836 /nfs/dbraw/zinc/93/78/36/756937836.db2.gz JFZICDJHGUNYET-LSDHHAIUSA-N 0 0 274.364 1.948 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC000808550551 756942343 /nfs/dbraw/zinc/94/23/43/756942343.db2.gz NXPWVJAHHALQJM-UHFFFAOYSA-N 0 0 292.218 1.247 10 10 CDCERN C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccccc2O)n1 ZINC000865921165 757002048 /nfs/dbraw/zinc/00/20/48/757002048.db2.gz IZLMGHMHLGWCCE-WPRPVWTQSA-N 0 0 273.292 1.829 10 10 CDCERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928709791 757020810 /nfs/dbraw/zinc/02/08/10/757020810.db2.gz LPPFDWXSOFEAGJ-AQUOVQTQSA-N 0 0 267.300 1.819 10 10 CDCERN O=C(NCc1ccccc1O)c1cccn(C2CC2)c1=O ZINC000866754769 757074543 /nfs/dbraw/zinc/07/45/43/757074543.db2.gz DJIHOBPHHKAYLA-UHFFFAOYSA-N 0 0 284.315 1.819 10 10 CDCERN CC(=O)C(=O)COC(=O)CSc1ccc(F)c(F)c1 ZINC000808497317 757312636 /nfs/dbraw/zinc/31/26/36/757312636.db2.gz MAZFESSEVTWDNO-UHFFFAOYSA-N 0 0 288.271 1.758 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CDCERN Cc1cncc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC001300921442 903088321 /nfs/dbraw/zinc/08/83/21/903088321.db2.gz RXNBEJPGIKDOIL-HYXAFXHYSA-N 0 0 299.330 1.568 10 10 CDCERN O=C(NCCc1ccc(O)c(O)c1)c1ccn2nccc2n1 ZINC001545669350 910500041 /nfs/dbraw/zinc/50/00/41/910500041.db2.gz WQIUELZJGMCIQT-UHFFFAOYSA-N 0 0 298.302 1.113 10 10 CDCERN COc1cc(C(=O)N[C@H](C)c2ccccc2O)on1 ZINC001171723749 910901529 /nfs/dbraw/zinc/90/15/29/910901529.db2.gz ZXEHNKOZAMBNQR-MRVPVSSYSA-N 0 0 262.265 1.880 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ncccn1)C1CC1 ZINC001178485135 915467439 /nfs/dbraw/zinc/46/74/39/915467439.db2.gz JSNWHCFHBVGNMM-HNNXBMFYSA-N 0 0 299.330 1.698 10 10 CDCERN COc1cccc(CNC(=O)[C@H]2CC[C@@H](OC)C2)c1O ZINC000830539893 936462994 /nfs/dbraw/zinc/46/29/94/936462994.db2.gz BJTNYSBBRBYLGQ-CMPLNLGQSA-N 0 0 279.336 1.832 10 10 CDCERN Cc1cc(N2Cc3cccc(O)c3C2)n2ncnc2n1 ZINC001187406152 920530241 /nfs/dbraw/zinc/53/02/41/920530241.db2.gz ULOSFAFVWBIXPV-UHFFFAOYSA-N 0 0 267.292 1.659 10 10 CDCERN COC(OC)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703395968 922702020 /nfs/dbraw/zinc/70/20/20/922702020.db2.gz WIMHQHJDKLTMQT-ZETCQYMHSA-N 0 0 261.268 1.767 10 10 CDCERN C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000822524820 925629165 /nfs/dbraw/zinc/62/91/65/925629165.db2.gz YBJDKVPMEBDMBO-GWQWAINWSA-N 0 0 290.363 1.076 10 10 CDCERN COCCN(CCF)C(=O)c1cccc(O)c1O ZINC000697039358 937276436 /nfs/dbraw/zinc/27/64/36/937276436.db2.gz MGEARBUMKBSGOV-UHFFFAOYSA-N 0 0 257.261 1.156 10 10 CDCERN COc1ccnc(CNC(=O)C2=CC(=O)CS2)c1F ZINC001147793065 932608723 /nfs/dbraw/zinc/60/87/23/932608723.db2.gz UXTNLKZCPHNEPE-UHFFFAOYSA-N 0 0 282.296 1.926 10 10 CDCERN O=C(NCc1c(O)cccc1F)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000928706285 933174110 /nfs/dbraw/zinc/17/41/10/933174110.db2.gz QJLVQLXANZLOCJ-AEJSXWLSSA-N 0 0 277.295 1.763 10 10 CDCERN CCn1cccc1C(=O)NCc1ccc(O)cc1O ZINC001299574969 945561216 /nfs/dbraw/zinc/56/12/16/945561216.db2.gz UVFSAUXRFMNGOF-UHFFFAOYSA-N 0 0 260.293 1.849 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)c1cc(C(F)F)ncn1 ZINC001294869007 954570943 /nfs/dbraw/zinc/57/09/43/954570943.db2.gz JAYDUQZTZIPDJQ-UHFFFAOYSA-N 0 0 295.245 1.755 10 10 CDCERN CN(C)c1ccc(C[NH2+][C@H](C(=O)[O-])[C@H]2CCCO2)cc1 ZINC001330287448 956362813 /nfs/dbraw/zinc/36/28/13/956362813.db2.gz YKRARJYTOOZDLF-KGLIPLIRSA-N 0 0 278.352 1.474 10 10 CDCERN Cc1nnc(CC(=O)N2Cc3cccc(O)c3C2)o1 ZINC001330663387 956549544 /nfs/dbraw/zinc/54/95/44/956549544.db2.gz QQDWZXMJLJHCFK-UHFFFAOYSA-N 0 0 259.265 1.169 10 10 CDCERN CN(C)c1ccc(/C=C/C[NH2+][C@H](CCO)C(=O)[O-])cc1 ZINC001332032994 957408975 /nfs/dbraw/zinc/40/89/75/957408975.db2.gz SRQNTUKZZDISDA-RDFMZFSFSA-N 0 0 278.352 1.191 10 10 CDCERN O=C(NCc1ccc(O)cc1O)C1(CF)CCC1 ZINC001334212781 958939124 /nfs/dbraw/zinc/93/91/24/958939124.db2.gz AQYWSJNGLKNGMQ-UHFFFAOYSA-N 0 0 253.273 1.854 10 10 CDCERN CCOCCCC(=O)NCc1cccc(O)c1O ZINC001339282058 962289895 /nfs/dbraw/zinc/28/98/95/962289895.db2.gz YQCONCOBJPIKLZ-UHFFFAOYSA-N 0 0 253.298 1.531 10 10 CDCERN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)O ZINC001556827990 965108340 /nfs/dbraw/zinc/10/83/40/965108340.db2.gz DAYXMZNJWQIKAM-LBPRGKRZSA-N 0 0 267.325 1.306 10 10 CDCERN COc1ccc(CCNC(=O)C2=CC(=O)CS2)cn1 ZINC001557844599 965212137 /nfs/dbraw/zinc/21/21/37/965212137.db2.gz ZYKOUEXVRCQDQE-UHFFFAOYSA-N 0 0 278.333 1.830 10 10 CDCERN C[C@H](NC(=O)/C=C/C(=O)N(C)C)c1ccccc1O ZINC001557969044 965220295 /nfs/dbraw/zinc/22/02/95/965220295.db2.gz QFLJRTQZQYXLAA-DDXVTDLHSA-N 0 0 262.309 1.214 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cnc(C2CC2)[nH]1 ZINC001558175412 965245440 /nfs/dbraw/zinc/24/54/40/965245440.db2.gz PIROASMZJFUZDM-UHFFFAOYSA-N 0 0 273.292 1.628 10 10 CDCERN Cc1ncccc1CNC(=O)c1c(F)ccc(O)c1O ZINC001559023089 965391422 /nfs/dbraw/zinc/39/14/22/965391422.db2.gz JWMJOZBRIYVQKU-UHFFFAOYSA-N 0 0 276.267 1.870 10 10 CDCERN COc1cccc(CNC(=O)C2=C[S@@](=O)CCC2)c1O ZINC001445965721 966404052 /nfs/dbraw/zinc/40/40/52/966404052.db2.gz HOZHXTXUTLPAPB-FQEVSTJZSA-N 0 0 295.360 1.443 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2CO)cc1 ZINC001540772741 967170149 /nfs/dbraw/zinc/17/01/49/967170149.db2.gz JXOALCYXKGUWOX-GFCCVEGCSA-N 0 0 290.323 1.836 10 10 CDCERN Cc1nn(C)cc1[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001542818758 967248580 /nfs/dbraw/zinc/24/85/80/967248580.db2.gz ZBDWUHNUHJNBSJ-SECBINFHSA-N 0 0 289.335 1.560 10 10 CDCERN CCC(C)(C)OCC(=O)NCc1cccc(O)c1O ZINC001352670411 967408549 /nfs/dbraw/zinc/40/85/49/967408549.db2.gz OOANSXLFDQVLRO-UHFFFAOYSA-N 0 0 267.325 1.919 10 10 CDCERN Cc1nc2ccnn2cc1C(=O)NCc1ccc(O)cc1O ZINC001451765703 968004333 /nfs/dbraw/zinc/00/43/33/968004333.db2.gz HEDXXYGPECPLEG-UHFFFAOYSA-N 0 0 298.302 1.379 10 10 CDCERN Cc1cc(CC(=O)NCc2cccc(O)c2O)no1 ZINC001455313494 968674813 /nfs/dbraw/zinc/67/48/13/968674813.db2.gz BTYCHBAQPDVRGT-UHFFFAOYSA-N 0 0 262.265 1.253 10 10 CDCERN Cc1cc[nH]c(=O)c1C(=O)NCc1cc(O)ccc1O ZINC001455355013 968688757 /nfs/dbraw/zinc/68/87/57/968688757.db2.gz ABNQAJQOAHXHQV-UHFFFAOYSA-N 0 0 274.276 1.437 10 10 CDCERN O=C(/C=C/c1cncc(F)c1)NCc1cc(O)ccc1O ZINC001455354516 968689191 /nfs/dbraw/zinc/68/91/91/968689191.db2.gz OGHQPPQWMVDZGB-DAFODLJHSA-N 0 0 288.278 1.962 10 10 CDCERN C[C@H](OC[C@H]1CCCO1)C(=O)NCc1cc(O)ccc1O ZINC001455357515 968690936 /nfs/dbraw/zinc/69/09/36/968690936.db2.gz SBVXDTAGQFLUBT-GXFFZTMASA-N 0 0 295.335 1.298 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2ncccn2)C1 ZINC001456237187 968912493 /nfs/dbraw/zinc/91/24/93/968912493.db2.gz VPQLCHYDSFOJFW-GFCCVEGCSA-N 0 0 299.330 1.446 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cccc(CO)c1 ZINC001456236069 968913092 /nfs/dbraw/zinc/91/30/92/968913092.db2.gz PVBLYWKWZGFWHH-UHFFFAOYSA-N 0 0 273.288 1.520 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1nccs1 ZINC001464226561 969776951 /nfs/dbraw/zinc/77/69/51/969776951.db2.gz CYGIJBPNPPAKHP-UHFFFAOYSA-N 0 0 264.306 1.413 10 10 CDCERN CCCCO[C@@H](C)C(=O)NCc1cccc(O)c1O ZINC001520508761 970194619 /nfs/dbraw/zinc/19/46/19/970194619.db2.gz LWLZOXBGSWPWME-JTQLQIEISA-N 0 0 267.325 1.919 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1csc2cncn21 ZINC001469159719 970227540 /nfs/dbraw/zinc/22/75/40/970227540.db2.gz LYSOSXIHAJESLC-UHFFFAOYSA-N 0 0 289.316 1.737 10 10 CDCERN CCc1cc(C(=O)NCc2c(O)cccc2F)[nH]n1 ZINC001471974827 970523588 /nfs/dbraw/zinc/52/35/88/970523588.db2.gz LHMYCVYPKRYOGE-UHFFFAOYSA-N 0 0 263.272 1.747 10 10 CDCERN O=C(NCc1c(O)cccc1O)C1CC2(CSC2)C1 ZINC001472063402 970556907 /nfs/dbraw/zinc/55/69/07/970556907.db2.gz KGEKPAHTOBVIMO-UHFFFAOYSA-N 0 0 279.361 1.857 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001593882106 1174175217 /nfs/dbraw/zinc/17/52/17/1174175217.db2.gz RJSQFDYRYQNBMV-QXJJFIIZSA-N 0 0 275.304 1.137 10 10 CDCERN COc1cccc(CNC(=O)c2nocc2C)c1O ZINC001595800376 1174217023 /nfs/dbraw/zinc/21/70/23/1174217023.db2.gz WCOPZOXZJQWCDU-UHFFFAOYSA-N 0 0 262.265 1.627 10 10 CDCERN [NH3+][C@@H](Cc1ccc(O)c(O)c1Cc1ccccc1)C(=O)[O-] ZINC000584591529 346494527 /nfs/dbraw/zinc/49/45/27/346494527.db2.gz UNTMUSPGSOTTJS-ZDUSSCGKSA-N 0 0 287.315 1.643 10 10 CDCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1ccnc1 ZINC000074191422 346564897 /nfs/dbraw/zinc/56/48/97/346564897.db2.gz PPSLAWHDAUMAOE-UHFFFAOYSA-N 0 0 286.335 1.375 10 10 CDCERN CN(CN1C(=O)c2ccccc2C1=O)c1ccc(N)cc1 ZINC000575451406 367076867 /nfs/dbraw/zinc/07/68/67/367076867.db2.gz FDRFZBYHRDMJLB-UHFFFAOYSA-N 0 0 281.315 1.959 10 10 CDCERN CN(CCCO)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000283041148 368158939 /nfs/dbraw/zinc/15/89/39/368158939.db2.gz QAYVCJFYIHLPAO-UHFFFAOYSA-N 0 0 291.395 1.593 10 10 CDCERN O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(O)c1O ZINC000193140273 373682528 /nfs/dbraw/zinc/68/25/28/373682528.db2.gz HCJJWCNBAUDLIC-TZMCWYRMSA-N 0 0 285.299 1.486 10 10 CDCERN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(C)c(C)cc1O ZINC000249968344 377485043 /nfs/dbraw/zinc/48/50/43/377485043.db2.gz XFPORJZPSRAIFY-ZFWWWQNUSA-N 0 0 293.363 1.507 10 10 CDCERN Cc1ccc(C(=O)N2CCC([C@@H](C)O)CC2)c(O)c1O ZINC000182471210 391234926 /nfs/dbraw/zinc/23/49/26/391234926.db2.gz YFIVZRKRMKGNJX-SNVBAGLBSA-N 0 0 279.336 1.639 10 10 CDCERN C[C@H]([NH2+]CCc1cn[nH]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000289924811 391620355 /nfs/dbraw/zinc/62/03/55/391620355.db2.gz VDAHSIZMXWMFAE-VIFPVBQESA-N 0 0 276.296 1.917 10 10 CDCERN COC(=O)[C@@H](N[C@@H](C)c1ccc(O)cc1O)C(C)C ZINC000035346492 172138601 /nfs/dbraw/zinc/13/86/01/172138601.db2.gz JOGXBZPKNURQLV-ZANVPECISA-N 0 0 267.325 1.946 10 10 CDCERN Nc1ccc(CN(C(=O)[C@@H]2CCCO2)C2CC2)cc1 ZINC000035365900 172156091 /nfs/dbraw/zinc/15/60/91/172156091.db2.gz HSAOMKHJWNEIAG-AWEZNQCLSA-N 0 0 260.337 1.939 10 10 CDCERN CC(=O)[C@H](NC(=O)CSc1nccs1)C(C)C ZINC000040677187 174373812 /nfs/dbraw/zinc/37/38/12/174373812.db2.gz IZXKNGZDFIKYJK-SNVBAGLBSA-N 0 0 272.395 1.965 10 10 CDCERN O=C(c1cccc(O)c1O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000126493803 260353615 /nfs/dbraw/zinc/35/36/15/260353615.db2.gz QUQPGUFRMJZMRY-MEDUHNTESA-N 0 0 291.347 1.865 10 10 CDCERN C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000184934405 262033985 /nfs/dbraw/zinc/03/39/85/262033985.db2.gz DPUAIUKDIHZLHY-NWDGAFQWSA-N 0 0 282.359 1.903 10 10 CDCERN C[C@H](NC(=O)N[C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1O ZINC001673567826 1173871269 /nfs/dbraw/zinc/87/12/69/1173871269.db2.gz BCSYVBPHCMDKJJ-GARJFASQSA-N 0 0 291.351 1.406 10 10 CDCERN CCCN(C)S(=O)(=O)Nc1ccc(O)c(OC)c1 ZINC000280657576 521507965 /nfs/dbraw/zinc/50/79/65/521507965.db2.gz XCFGTTDBBMSDAI-UHFFFAOYSA-N 0 0 274.342 1.399 10 10 CDCERN COc1c([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278523486 521877244 /nfs/dbraw/zinc/87/72/44/521877244.db2.gz SLZWCWJIXMDFRI-MRVPVSSYSA-N 0 0 284.312 1.558 10 10 CDCERN C[C@@H](NC(=O)N[C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1O ZINC001683281130 1174633127 /nfs/dbraw/zinc/63/31/27/1174633127.db2.gz BCSYVBPHCMDKJJ-OUAUKWLOSA-N 0 0 291.351 1.406 10 10 CDCERN CN(C)c1ccc(CN2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000770385344 575443592 /nfs/dbraw/zinc/44/35/92/575443592.db2.gz KKAPNXUIZHFIBR-OAHLLOKOSA-N 0 0 289.379 1.779 10 10 CDCERN COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1O)C(C)(C)C ZINC000770493114 575455893 /nfs/dbraw/zinc/45/58/93/575455893.db2.gz APOCZDPUSKTDMJ-LBPRGKRZSA-N 0 0 295.335 1.724 10 10 CDCERN O=C(NCc1ccccc1O)[C@@H]1CCCC12OCCO2 ZINC000774062486 575849970 /nfs/dbraw/zinc/84/99/70/575849970.db2.gz DVBRZVBORDBKMK-LBPRGKRZSA-N 0 0 277.320 1.552 10 10 CDCERN Cc1ccc(C(=O)NC2(CCO)CCOCC2)c(O)c1O ZINC000765653169 576047842 /nfs/dbraw/zinc/04/78/42/576047842.db2.gz ZQMVWSKSFRYWIF-UHFFFAOYSA-N 0 0 295.335 1.068 10 10 CDCERN CCc1cc(NC(=O)C(=O)NCc2ccccc2O)no1 ZINC000740494274 576478973 /nfs/dbraw/zinc/47/89/73/576478973.db2.gz BDPKUJOWHXAXLV-UHFFFAOYSA-N 0 0 289.291 1.198 10 10 CDCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccon1 ZINC000753640195 576852142 /nfs/dbraw/zinc/85/21/42/576852142.db2.gz LEKXXCBZQITYPE-SECBINFHSA-N 0 0 276.292 1.376 10 10 CDCERN Cc1cc(=O)[nH]cc1C(=O)NCc1ccccc1O ZINC000759239763 577163103 /nfs/dbraw/zinc/16/31/03/577163103.db2.gz YAUFMVWDZJANQV-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000840632619 617792834 /nfs/dbraw/zinc/79/28/34/617792834.db2.gz CUOQZHSBWJJQFG-BXUZGUMPSA-N 0 0 264.252 1.573 10 10 CDCERN [O-]c1c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)ccc(F)c1F ZINC000895749511 619819891 /nfs/dbraw/zinc/81/98/91/619819891.db2.gz SEXXMQYKCUYGMC-MNOVXSKESA-N 0 0 287.306 1.690 10 10 CDCERN C[C@H](CO)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897258950 620449050 /nfs/dbraw/zinc/44/90/50/620449050.db2.gz IFMLUYNPRPCOMG-SSDOTTSWSA-N 0 0 281.333 1.765 10 10 CDCERN CC(=O)C1(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928705097 620503620 /nfs/dbraw/zinc/50/36/20/620503620.db2.gz DVXZKFHJQVOHJS-UHFFFAOYSA-N 0 0 251.257 1.517 10 10 CDCERN COCCn1cc(C(=O)NCc2c(O)cccc2F)cn1 ZINC000928707725 620505242 /nfs/dbraw/zinc/50/52/42/620505242.db2.gz BFZYGXHOIYIFPU-UHFFFAOYSA-N 0 0 293.298 1.304 10 10 CDCERN O=C(NC1(CCO)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000897838435 621155605 /nfs/dbraw/zinc/15/56/05/621155605.db2.gz WKQIQELTNYVHDJ-UHFFFAOYSA-N 0 0 293.344 1.957 10 10 CDCERN O=C(N[C@@H]1CC[C@H]1O)c1cc2cc(O)c(O)cc2s1 ZINC000898013199 621284494 /nfs/dbraw/zinc/28/44/94/621284494.db2.gz SDYWXPXHQPODDD-HTQZYQBOSA-N 0 0 279.317 1.566 10 10 CDCERN C/C=C\[C@H](O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000900433611 623050474 /nfs/dbraw/zinc/05/04/74/623050474.db2.gz OTVBRCPPOWDGEW-QTLSWZBMSA-N 0 0 274.364 1.622 10 10 CDCERN CC(C)(C)OC(=O)C(=O)NCc1c(O)cccc1F ZINC000902944976 625628876 /nfs/dbraw/zinc/62/88/76/625628876.db2.gz PEPWHDNCJGYKMF-UHFFFAOYSA-N 0 0 269.272 1.489 10 10 CDCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H](C)CO1 ZINC000907276003 627579436 /nfs/dbraw/zinc/57/94/36/627579436.db2.gz YMGBXCKZMMYZCW-BHDSKKPTSA-N 0 0 279.336 1.570 10 10 CDCERN CC(C)N1C(=O)CC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910957072 629118196 /nfs/dbraw/zinc/11/81/96/629118196.db2.gz ORZSOWCWXWXTJK-LBPRGKRZSA-N 0 0 292.335 1.113 10 10 CDCERN C[C@@H]1C[C@H](C(=O)NCc2ccc(O)cc2O)[C@@H](C)O1 ZINC000910957632 629118252 /nfs/dbraw/zinc/11/82/52/629118252.db2.gz UDJDHKSADNGOBL-LNLATYFQSA-N 0 0 265.309 1.528 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cn2c(n1)CCC2 ZINC000910944567 629125746 /nfs/dbraw/zinc/12/57/46/629125746.db2.gz OMLHNSPPSKXHDD-UHFFFAOYSA-N 0 0 273.292 1.171 10 10 CDCERN C[C@@H](NC(=O)NCCc1cn(C)cn1)c1ccccc1O ZINC000868693689 1164983200 /nfs/dbraw/zinc/98/32/00/1164983200.db2.gz QILVUTTVHJDYLW-LLVKDONJSA-N 0 0 288.351 1.729 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2CCn3ncnc3C2)cc1 ZINC001617051772 1165584002 /nfs/dbraw/zinc/58/40/02/1165584002.db2.gz YXPYMYWEKCTBLX-UHFFFAOYSA-N 0 0 299.294 1.097 10 10 CDCERN Cc1nn(CC(=O)NCc2ccccc2O)c2ncccc12 ZINC001622772914 1165739102 /nfs/dbraw/zinc/73/91/02/1165739102.db2.gz NQRWKDARZCZHHV-UHFFFAOYSA-N 0 0 296.330 1.762 10 10 CDCERN CN(C(=O)/C=C/c1cncc(F)c1)c1ccnn1C ZINC001623783050 1165790951 /nfs/dbraw/zinc/79/09/51/1165790951.db2.gz DOYUDQNYGTXKQY-ONEGZZNKSA-N 0 0 260.272 1.630 10 10 CDCERN Cc1ccc(O)c(CNC(=O)c2ccnc3[nH]cnc32)c1 ZINC001629740244 1166159883 /nfs/dbraw/zinc/15/98/83/1166159883.db2.gz BFNASFYCZYMBGW-UHFFFAOYSA-N 0 0 282.303 1.902 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)c1ccc(CO)cc1 ZINC001635958877 1166636592 /nfs/dbraw/zinc/63/65/92/1166636592.db2.gz BMMVKZGPSROQOP-UHFFFAOYSA-N 0 0 273.288 1.520 10 10 CDCERN O=C(Cn1cnc2ccccc21)NCc1ccc(O)cc1O ZINC001638351687 1166838904 /nfs/dbraw/zinc/83/89/04/1166838904.db2.gz BSBULBIPWJBCQP-UHFFFAOYSA-N 0 0 297.314 1.764 10 10 CDCERN CN(C(=O)Cc1ccc(O)c(O)c1)c1ccn(C)n1 ZINC001639112522 1166900172 /nfs/dbraw/zinc/90/01/72/1166900172.db2.gz HZMMESKYEFZUDK-UHFFFAOYSA-N 0 0 261.281 1.037 10 10 CDCERN O=C(Cn1cc(C2CC2)cn1)NCc1c(O)cccc1O ZINC001639292621 1166921906 /nfs/dbraw/zinc/92/19/06/1166921906.db2.gz KQFAKYKSMLREDD-UHFFFAOYSA-N 0 0 287.319 1.488 10 10 CDCERN NC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)o1 ZINC001640924823 1167061454 /nfs/dbraw/zinc/06/14/54/1167061454.db2.gz VODCNTIAAFJTSO-UHFFFAOYSA-N 0 0 294.694 1.668 10 10 CDCERN Cc1ccc(O)c(CNC(=O)c2ccc3nncn3c2)c1 ZINC001641733172 1167132559 /nfs/dbraw/zinc/13/25/59/1167132559.db2.gz KEIHJYQWJICZOH-UHFFFAOYSA-N 0 0 282.303 1.673 10 10 CDCERN C[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CS1 ZINC001642801938 1167199910 /nfs/dbraw/zinc/19/99/10/1167199910.db2.gz VWFACBKSLDUNNS-WCBMZHEXSA-N 0 0 267.350 1.651 10 10 CDCERN C[C@@H]1CO[C@@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001644753894 1167347007 /nfs/dbraw/zinc/34/70/07/1167347007.db2.gz LTGUXFYAXRYWMN-QPUJVOFHSA-N 0 0 251.282 1.139 10 10 CDCERN O=C(Cc1cn2ccccc2n1)NCc1c(O)cccc1O ZINC001645360763 1167396200 /nfs/dbraw/zinc/39/62/00/1167396200.db2.gz HUICMPCATSHDCR-UHFFFAOYSA-N 0 0 297.314 1.604 10 10 CDCERN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ncnn21 ZINC001645373147 1167397359 /nfs/dbraw/zinc/39/73/59/1167397359.db2.gz DCBKRXCDYVZAPO-PSASIEDQSA-N 0 0 288.307 1.054 10 10 CDCERN C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1F ZINC001567045165 1168044968 /nfs/dbraw/zinc/04/49/68/1168044968.db2.gz XXCVEIBKOAJCJW-KOLCDFICSA-N 0 0 267.300 1.847 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2ccnn2c1 ZINC001647900717 1169073266 /nfs/dbraw/zinc/07/32/66/1169073266.db2.gz DMPMUGRTFAUVNQ-RQOWECAXSA-N 0 0 296.286 1.792 10 10 CDCERN O=C(COc1ccsn1)N1Cc2cccc(O)c2C1 ZINC001650674717 1171248581 /nfs/dbraw/zinc/24/85/81/1171248581.db2.gz MVNVMHBYEVCOQB-UHFFFAOYSA-N 0 0 276.317 1.770 10 10 CDCERN Cc1nccnc1[C@@H](C)NC(=O)c1cccc(O)c1O ZINC001651402568 1171319910 /nfs/dbraw/zinc/31/99/10/1171319910.db2.gz RGQJDHFLMBLVBI-SECBINFHSA-N 0 0 273.292 1.687 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccnc2ccncc21 ZINC001652625603 1171458246 /nfs/dbraw/zinc/45/82/46/1171458246.db2.gz IAMUAOMDBNNBDW-UHFFFAOYSA-N 0 0 295.298 1.971 10 10 CDCERN COc1ccncc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001583807839 1172782296 /nfs/dbraw/zinc/78/22/96/1172782296.db2.gz KTVSEGGZVWUPOF-UHFFFAOYSA-N 0 0 274.276 1.683 10 10 CDCERN CCN(CC(=O)OC)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001584798325 1172851973 /nfs/dbraw/zinc/85/19/73/1172851973.db2.gz XIBIRHIRBDWJOU-UHFFFAOYSA-N 0 0 292.295 1.484 10 10 CDCERN COC(=O)CC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001586624687 1172952237 /nfs/dbraw/zinc/95/22/37/1172952237.db2.gz ZBIZWSIMYCHTAB-UHFFFAOYSA-N 0 0 281.308 1.098 10 10 CDCERN CCc1nc(C)ncc1C(=O)NCc1cc(O)ccc1O ZINC001593873563 1174173898 /nfs/dbraw/zinc/17/38/98/1174173898.db2.gz ROWICNPKYCWQJS-UHFFFAOYSA-N 0 0 287.319 1.689 10 10 CDCERN CC1=C(C(=O)NCc2cc(O)ccc2O)SCCO1 ZINC001593882397 1174175132 /nfs/dbraw/zinc/17/51/32/1174175132.db2.gz VILKMUFFXGUNBF-UHFFFAOYSA-N 0 0 281.333 1.709 10 10 CDCERN O=Cc1c[nH]c(C(=O)NCc2cc(O)ccc2O)c1 ZINC001593881847 1174175187 /nfs/dbraw/zinc/17/51/87/1174175187.db2.gz PEIXGONIQSDZCY-UHFFFAOYSA-N 0 0 260.249 1.168 10 10 CDCERN CCOc1ccc(C(=O)OCC(=O)C(C)=O)cc1[N+](=O)[O-] ZINC000808496354 759000104 /nfs/dbraw/zinc/00/01/04/759000104.db2.gz LJDAYYHQQNZNCM-UHFFFAOYSA-N 0 0 295.247 1.308 10 10 CDCERN COc1cccc(CNC(=O)N[C@H]2CC[C@H]2C)c1O ZINC000807555653 768854107 /nfs/dbraw/zinc/85/41/07/768854107.db2.gz CFCQOEKQDLIMHC-KOLCDFICSA-N 0 0 264.325 1.999 10 10 CDCERN COc1ccc(CNC(=O)c2cccn(C)c2=O)c(O)c1 ZINC000794382210 768885849 /nfs/dbraw/zinc/88/58/49/768885849.db2.gz ZMIVXPPNVZWPFA-UHFFFAOYSA-N 0 0 288.303 1.030 10 10 CDCERN Cc1ccc(O)c(CNC(=O)[C@@H](O)C2CCOCC2)c1 ZINC000862760109 768890450 /nfs/dbraw/zinc/89/04/50/768890450.db2.gz MNIJZDVUSCRURT-AWEZNQCLSA-N 0 0 279.336 1.104 10 10 CDCERN Cn1cc(NC(=O)N2Cc3cccc(O)c3C2)nn1 ZINC000931513228 769175460 /nfs/dbraw/zinc/17/54/60/769175460.db2.gz ZTMVVZONEFVARV-UHFFFAOYSA-N 0 0 259.269 1.068 10 10 CDCERN CC(=O)C(=O)COC(=O)CCC(=O)c1ccc(C)s1 ZINC000808497344 769487288 /nfs/dbraw/zinc/48/72/88/769487288.db2.gz YFQAFIITXIDHAR-UHFFFAOYSA-N 0 0 282.317 1.721 10 10 CDCERN CCn1nncc1CNC(=O)NCc1c(O)cccc1F ZINC000923390336 769520210 /nfs/dbraw/zinc/52/02/10/769520210.db2.gz XMJCFTNDICSDFV-UHFFFAOYSA-N 0 0 293.302 1.142 10 10 CDCERN COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)c(O)c1 ZINC000822612223 769543955 /nfs/dbraw/zinc/54/39/55/769543955.db2.gz MDQHSMIFNOSQEG-VXGBXAGGSA-N 0 0 287.319 1.544 10 10 CDCERN Cc1nc(S(=O)(=O)[N-]c2ccc(O)cc2F)c[nH]1 ZINC000085203924 769553087 /nfs/dbraw/zinc/55/30/87/769553087.db2.gz MFJZPHHPJKDIML-UHFFFAOYSA-N 0 0 271.273 1.364 10 10 CDCERN 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/nfs/dbraw/zinc/90/11/18/910901118.db2.gz CITKLOHKHSLINR-SNVBAGLBSA-N 0 0 297.318 1.629 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCC(F)(F)CC1 ZINC001138997405 936587388 /nfs/dbraw/zinc/58/73/88/936587388.db2.gz LCNZEMZRTNWVIW-UHFFFAOYSA-N 0 0 271.263 1.898 10 10 CDCERN Nc1ccc(NC(=O)N2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000690345346 927297981 /nfs/dbraw/zinc/29/79/81/927297981.db2.gz JPPYDZMANSBBFK-QWRGUYRKSA-N 0 0 261.325 1.769 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000856148005 928554222 /nfs/dbraw/zinc/55/42/22/928554222.db2.gz SDEIMESWQBFJMM-UZMLQMNBSA-N 0 0 289.331 1.606 10 10 CDCERN CCC[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC ZINC001136354731 930939037 /nfs/dbraw/zinc/93/90/37/930939037.db2.gz XDOGQTFEQWSPAG-HNNXBMFYSA-N 0 0 295.335 1.488 10 10 CDCERN COCCCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001136482765 931079531 /nfs/dbraw/zinc/07/95/31/931079531.db2.gz NIGXBBMPFDNMSX-UHFFFAOYSA-N 0 0 267.325 1.573 10 10 CDCERN CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1O ZINC001568590930 1169378829 /nfs/dbraw/zinc/37/88/29/1169378829.db2.gz ZWLPAWKPNGYBLI-LLVKDONJSA-N 0 0 290.323 1.692 10 10 CDCERN CCN(C(=O)c1cccc(O)c1O)[C@H]1CCCOC1 ZINC000402701880 940907159 /nfs/dbraw/zinc/90/71/59/940907159.db2.gz PAAPRWKYUSWBIG-JTQLQIEISA-N 0 0 265.309 1.739 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1cnn2c1NCCC2 ZINC001263895993 944025214 /nfs/dbraw/zinc/02/52/14/944025214.db2.gz LLUZMXFQDDAIKQ-UHFFFAOYSA-N 0 0 288.307 1.040 10 10 CDCERN CN(C(=O)Cc1ccc(O)c(O)c1)c1cnn(C)c1 ZINC001293789821 954414207 /nfs/dbraw/zinc/41/42/07/954414207.db2.gz LKIOEVXIWUFHJH-UHFFFAOYSA-N 0 0 261.281 1.037 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)c1cc(C(F)F)n[nH]1 ZINC001294872081 954570970 /nfs/dbraw/zinc/57/09/70/954570970.db2.gz URAJTBSMZLOAMW-UHFFFAOYSA-N 0 0 283.234 1.689 10 10 CDCERN CC(=O)C(=O)COC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001327222246 954778918 /nfs/dbraw/zinc/77/89/18/954778918.db2.gz ZZMPNDDLZWPNDR-JQWIXIFHSA-N 0 0 274.263 1.903 10 10 CDCERN Cc1cc(O)c(CN2CC[N@@H+](CCO)C[C@@H]2C)cc1Cl ZINC001328759176 955460223 /nfs/dbraw/zinc/46/02/23/955460223.db2.gz MKWYYUSNMUQHPP-LBPRGKRZSA-N 0 0 298.814 1.852 10 10 CDCERN O=C(c1cccc(O)c1O)N(CCO)Cc1cccnc1 ZINC001545910039 963205623 /nfs/dbraw/zinc/20/56/23/963205623.db2.gz DFJDQQIMVPQWRO-UHFFFAOYSA-N 0 0 288.303 1.128 10 10 CDCERN O=C(CCc1cncnc1)NCc1ccc(O)cc1O ZINC001557085303 965142699 /nfs/dbraw/zinc/14/26/99/965142699.db2.gz IDYFXHCTOHPLMP-UHFFFAOYSA-N 0 0 273.292 1.137 10 10 CDCERN O=C(/C=C/c1cncc(F)c1)NCc1ccc(O)cc1O ZINC001557085222 965143079 /nfs/dbraw/zinc/14/30/79/965143079.db2.gz FQPBUBZXESYSKE-DAFODLJHSA-N 0 0 288.278 1.962 10 10 CDCERN C[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)c1ccccc1O ZINC001557967660 965220470 /nfs/dbraw/zinc/22/04/70/965220470.db2.gz ISCMYUPJXBDQLZ-QMMMGPOBSA-N 0 0 290.279 1.525 10 10 CDCERN CCOc1cc(C(=O)NCc2ccc(O)c(O)c2)[nH]n1 ZINC001545636935 967434014 /nfs/dbraw/zinc/43/40/14/967434014.db2.gz IYJBJJAMSUCSFV-UHFFFAOYSA-N 0 0 277.280 1.150 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cccc(O)c1O ZINC001451767855 968003829 /nfs/dbraw/zinc/00/38/29/968003829.db2.gz MOYWRBSSQDXKHZ-UHFFFAOYSA-N 0 0 275.260 1.439 10 10 CDCERN CC[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)CO1 ZINC001452777408 968177793 /nfs/dbraw/zinc/17/77/93/968177793.db2.gz OTWMDUKPIAJQQT-PWSUYJOCSA-N 0 0 279.336 1.666 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@H]1CC1(F)F ZINC001453897262 968400376 /nfs/dbraw/zinc/40/03/76/968400376.db2.gz USEYRTYHBPGHIL-VIFPVBQESA-N 0 0 271.263 1.802 10 10 CDCERN O=C(/C=C/c1cncc(F)c1)NCc1cccc(O)c1O ZINC001455313534 968675415 /nfs/dbraw/zinc/67/54/15/968675415.db2.gz DFVGURBHUHPHLK-SNAWJCMRSA-N 0 0 288.278 1.962 10 10 CDCERN Cc1ccncc1C(=O)NCc1cc(O)ccc1O ZINC001455357135 968690873 /nfs/dbraw/zinc/69/08/73/968690873.db2.gz OMEMPAKEWQTBIT-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN O=C(NCc1c(O)cccc1F)[C@@H]1CCCn2ncnc21 ZINC001456029195 968850425 /nfs/dbraw/zinc/85/04/25/968850425.db2.gz KNOUXYARVABRQF-SECBINFHSA-N 0 0 290.298 1.317 10 10 CDCERN CC(=O)CCCC(=O)NCc1c(O)cccc1O ZINC001456235131 968913542 /nfs/dbraw/zinc/91/35/42/968913542.db2.gz LXADWHIZBLQIQI-UHFFFAOYSA-N 0 0 251.282 1.473 10 10 CDCERN CN(Cc1ccccc1O)c1nccc(S(C)(=O)=O)n1 ZINC001458258595 969274435 /nfs/dbraw/zinc/27/44/35/969274435.db2.gz DSOWESBYYOZKDE-UHFFFAOYSA-N 0 0 293.348 1.222 10 10 CDCERN CNC(=O)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001463706010 969747919 /nfs/dbraw/zinc/74/79/19/969747919.db2.gz MLJQDBVYXZPLOZ-UHFFFAOYSA-N 0 0 294.332 1.131 10 10 CDCERN CC(C)[C@@H](O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001465221933 969855316 /nfs/dbraw/zinc/85/53/16/969855316.db2.gz FFGASZIYIRVMST-FUEXJSSKSA-N 0 0 279.336 1.634 10 10 CDCERN CS[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001466298807 969940651 /nfs/dbraw/zinc/94/06/51/969940651.db2.gz ZWPKYQISLSITAG-QMMMGPOBSA-N 0 0 255.339 1.508 10 10 CDCERN CC[C@H](C)[C@H](OC)C(=O)NCc1cccc(O)c1O ZINC001520508774 970194721 /nfs/dbraw/zinc/19/47/21/970194721.db2.gz MBRKCZCRGUXYMT-ZANVPECISA-N 0 0 267.325 1.775 10 10 CDCERN Cc1ccc(O)c(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001470255113 970305008 /nfs/dbraw/zinc/30/50/08/970305008.db2.gz QRFOFOLJTWSODE-UHFFFAOYSA-N 0 0 290.279 1.122 10 10 CDCERN CC1(C(=O)CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 ZINC001471101136 970395187 /nfs/dbraw/zinc/39/51/87/970395187.db2.gz DPMLTPJKNPGIOQ-UHFFFAOYSA-N 0 0 291.347 1.906 10 10 CDCERN O=C(c1ccc([N+](=O)[O-])[nH]1)N1Cc2cccc(O)c2C1 ZINC001471355895 970415177 /nfs/dbraw/zinc/41/51/77/970415177.db2.gz ZMZWELMIYMTRDN-UHFFFAOYSA-N 0 0 273.248 1.785 10 10 CDCERN CN1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000294466983 199051285 /nfs/dbraw/zinc/05/12/85/199051285.db2.gz ZESPOZIRWFWXSI-QMMMGPOBSA-N 0 0 272.707 1.505 10 10 CDCERN CO[C@H](C)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000191468348 358134268 /nfs/dbraw/zinc/13/42/68/358134268.db2.gz MYYJUMKQBZFWMF-IUUOVRRDSA-N 0 0 265.309 1.651 10 10 CDCERN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C(N)=O)O1 ZINC000092006645 360261169 /nfs/dbraw/zinc/26/11/69/360261169.db2.gz LCRHGJJZGLFFQY-PELKAZGASA-N 0 0 284.743 1.120 10 10 CDCERN Cc1cc(C)n(CC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000272963526 365461156 /nfs/dbraw/zinc/46/11/56/365461156.db2.gz QJSVUJQFNNFHCI-UHFFFAOYSA-N 0 0 286.379 1.882 10 10 CDCERN CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000297111038 371957264 /nfs/dbraw/zinc/95/72/64/371957264.db2.gz FXOYPEYWEMQHEC-GFCCVEGCSA-N 0 0 293.392 1.197 10 10 CDCERN Cn1cc([C@@H](CO)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000293540949 378573421 /nfs/dbraw/zinc/57/34/21/378573421.db2.gz GAUUMCIGURHTHS-GFCCVEGCSA-N 0 0 299.733 1.741 10 10 CDCERN COC[C@@H](CO)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294665370 378642377 /nfs/dbraw/zinc/64/23/77/378642377.db2.gz LTAJHMCFEQSXTH-MRVPVSSYSA-N 0 0 263.696 1.282 10 10 CDCERN Cc1cc(I)c2c(c1O)CNC2=O ZINC000089211100 291926315 /nfs/dbraw/zinc/92/63/15/291926315.db2.gz FWNPAPGLHZACAY-UHFFFAOYSA-N 0 0 289.072 1.549 10 10 CDCERN Nc1ccc(CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000237886759 390887859 /nfs/dbraw/zinc/88/78/59/390887859.db2.gz FLMHUXNFYMJWHS-UHFFFAOYSA-N 0 0 284.363 1.941 10 10 CDCERN Cc1ccc(C(=O)N[C@H](C)[C@H](C)CO)c(O)c1O ZINC000182820407 391245819 /nfs/dbraw/zinc/24/58/19/391245819.db2.gz CUFYKWUQCALYPE-RKDXNWHRSA-N 0 0 253.298 1.153 10 10 CDCERN Cc1ccc(C)n1-c1cc(C(C)(C)C(N)=O)n(C)n1 ZINC000584619423 391500971 /nfs/dbraw/zinc/50/09/71/391500971.db2.gz OFQJXTQAIVITGW-UHFFFAOYSA-N 0 0 260.341 1.591 10 10 CDCERN CC(=O)N1CCN(c2ccc3c(c2)CCCN3)CC1 ZINC000084896035 135034886 /nfs/dbraw/zinc/03/48/86/135034886.db2.gz TVNJODTUDPSYDS-UHFFFAOYSA-N 0 0 259.353 1.713 10 10 CDCERN CSCC[C@H](NC(=O)c1ccc(C[NH3+])cc1)C(=O)[O-] ZINC000032055036 171693923 /nfs/dbraw/zinc/69/39/23/171693923.db2.gz ASOYUHDOTJHWAI-NSHDSACASA-N 0 0 282.365 1.081 10 10 CDCERN Nc1ccc(O)c(CNS(=O)(=O)c2cccs2)c1 ZINC000036742822 172670881 /nfs/dbraw/zinc/67/08/81/172670881.db2.gz PMTBWHKIICYFCL-UHFFFAOYSA-N 0 0 284.362 1.514 10 10 CDCERN C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1CSC(=O)N1 ZINC000038089713 174103166 /nfs/dbraw/zinc/10/31/66/174103166.db2.gz KJKMTNHFMLHPMD-SCZZXKLOSA-N 0 0 280.349 1.737 10 10 CDCERN CC1=NN(C(=N)N)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000038635473 174150030 /nfs/dbraw/zinc/15/00/30/174150030.db2.gz QIIXSIXWPCBROL-XYOKQWHBSA-N 0 0 271.324 1.248 10 10 CDCERN CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000184682310 262291311 /nfs/dbraw/zinc/29/13/11/262291311.db2.gz HSMXHUIKAKRXJP-NSHDSACASA-N 0 0 298.770 1.765 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NOCc1ccccn1 ZINC001626096745 1161502748 /nfs/dbraw/zinc/50/27/48/1161502748.db2.gz DLJNSZOVSMUSDN-UHFFFAOYSA-N 0 0 274.276 1.283 10 10 CDCERN Oc1ccc(F)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289657858 526349349 /nfs/dbraw/zinc/34/93/49/526349349.db2.gz YJZGZJDSAPFVHU-OAHLLOKOSA-N 0 0 281.327 1.913 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCOCC1 ZINC000366017358 526686812 /nfs/dbraw/zinc/68/68/12/526686812.db2.gz QCRHKYOHZHFDLV-NSHDSACASA-N 0 0 265.309 1.531 10 10 CDCERN COc1ccc(N2CCN(C(=O)CC(C)=O)CC2)cc1 ZINC000019409590 536677081 /nfs/dbraw/zinc/67/70/81/536677081.db2.gz DIJZNHABOGJVHT-UHFFFAOYSA-N 0 0 276.336 1.323 10 10 CDCERN Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2O ZINC000004098307 560195461 /nfs/dbraw/zinc/19/54/61/560195461.db2.gz OFZBQQUVMQGHDJ-SOUVJXGZSA-N 0 0 290.271 1.331 10 10 in-vitro CDCERN COC[C@H](O)CN(C)c1ccc(OC)c(OC)c1 ZINC000732694946 575093932 /nfs/dbraw/zinc/09/39/32/575093932.db2.gz GLGCTVWSJDMASN-LLVKDONJSA-N 0 0 255.314 1.147 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC12CCOCC2 ZINC000767998964 576247800 /nfs/dbraw/zinc/24/78/00/576247800.db2.gz FXASWHYBQPXVFF-RQOWECAXSA-N 0 0 289.331 1.893 10 10 CDCERN CC[S@](=O)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000756573378 576996557 /nfs/dbraw/zinc/99/65/57/576996557.db2.gz APVPDSZAQAZOCK-SBKAZYGRSA-N 0 0 299.392 1.598 10 10 CDCERN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756594894 576997281 /nfs/dbraw/zinc/99/72/81/576997281.db2.gz PZYHIRGLDDSXDS-SCZZXKLOSA-N 0 0 284.306 1.942 10 10 CDCERN C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(F)cc(F)c1[O-] ZINC000757657734 577048772 /nfs/dbraw/zinc/04/87/72/577048772.db2.gz QIZXLZINVRVZIZ-SSDOTTSWSA-N 0 0 268.267 1.650 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000840632621 617792914 /nfs/dbraw/zinc/79/29/14/617792914.db2.gz CUOQZHSBWJJQFG-FZMZJTMJSA-N 0 0 264.252 1.573 10 10 CDCERN CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C(=O)[O-])cc1F ZINC000901922198 618344779 /nfs/dbraw/zinc/34/47/79/618344779.db2.gz RHLFCKWZJMAZLQ-YPMHNXCESA-N 0 0 282.315 1.223 10 10 CDCERN CN(Cc1ccccc1O)C(=O)NC1CC(CC(N)=O)C1 ZINC000925066264 618852699 /nfs/dbraw/zinc/85/26/99/618852699.db2.gz ZXLXSHJWILPECE-UHFFFAOYSA-N 0 0 291.351 1.188 10 10 CDCERN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895651004 619777615 /nfs/dbraw/zinc/77/76/15/619777615.db2.gz YAULFYPLCCKBAX-PRHODGIISA-N 0 0 284.699 1.520 10 10 CDCERN CC1=NO[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928707016 620505231 /nfs/dbraw/zinc/50/52/31/620505231.db2.gz ZSCXWYIFWMHYMZ-NSHDSACASA-N 0 0 252.245 1.312 10 10 CDCERN Nc1ccc(NC(=O)C(=O)NCCC2=CCCC2)cc1 ZINC000841074530 625652212 /nfs/dbraw/zinc/65/22/12/625652212.db2.gz FLAUDCFNCLUEJY-UHFFFAOYSA-N 0 0 273.336 1.824 10 10 CDCERN C[C@H](O)[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000904042635 626181433 /nfs/dbraw/zinc/18/14/33/626181433.db2.gz HMPYSESYHBFWRF-WUPXAJODSA-N 0 0 278.352 1.189 10 10 CDCERN CC(=O)C(=O)COC(=O)C1(C)CCC2(CC1)OCCO2 ZINC000909789266 628677311 /nfs/dbraw/zinc/67/73/11/628677311.db2.gz PLTKRMVFDPWHJA-UHFFFAOYSA-N 0 0 284.308 1.011 10 10 CDCERN Cn1ccsc1=NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001626081478 1161484581 /nfs/dbraw/zinc/48/45/81/1161484581.db2.gz MECRUTVJQCZMPR-UHFFFAOYSA-N 0 0 289.320 1.990 10 10 CDCERN CC(C)COC1CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001610986766 1165478482 /nfs/dbraw/zinc/47/84/82/1165478482.db2.gz SQEFSYPXCOSRFL-UHFFFAOYSA-N 0 0 283.299 1.734 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1CO ZINC001624195995 1165824860 /nfs/dbraw/zinc/82/48/60/1165824860.db2.gz MHZAPNSZGZJGBQ-LLVKDONJSA-N 0 0 265.309 1.014 10 10 CDCERN NC(=O)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC001628502870 1166077992 /nfs/dbraw/zinc/07/79/92/1166077992.db2.gz 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/nfs/dbraw/zinc/72/23/15/785722315.db2.gz FFFJBMYCQFGPHM-UHFFFAOYSA-N 0 0 293.335 1.583 10 10 CDCERN [O-]c1c(Br)cccc1CNC1=[NH+]CCCCN1 ZINC000849216312 785786243 /nfs/dbraw/zinc/78/62/43/785786243.db2.gz DNFBSXVWHNJMBZ-UHFFFAOYSA-N 0 0 298.184 1.984 10 10 CDCERN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090023647 785821565 /nfs/dbraw/zinc/82/15/65/785821565.db2.gz WSRKYCMTOAZWEA-SMDDNHRTSA-N 0 0 289.379 1.551 10 10 CDCERN CCc1n[nH]cc1C(=O)NCc1ccc(O)c(O)c1 ZINC000778916454 785884299 /nfs/dbraw/zinc/88/42/99/785884299.db2.gz HKLNBTSOALYCQR-UHFFFAOYSA-N 0 0 261.281 1.313 10 10 CDCERN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000858495100 785896238 /nfs/dbraw/zinc/89/62/38/785896238.db2.gz URSDXNAJMWKOBL-ZXFLCMHBSA-N 0 0 270.279 1.585 10 10 CDCERN CNC(=O)CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000827862944 785958482 /nfs/dbraw/zinc/95/84/82/785958482.db2.gz VXDUECWIIKJKSQ-AATRIKPKSA-N 0 0 261.369 1.444 10 10 CDCERN CN(C)c1ccc(CN(C)C(=O)COCC(F)F)cc1 ZINC000858199177 785964353 /nfs/dbraw/zinc/96/43/53/785964353.db2.gz DFVSYGVAIZXDNJ-UHFFFAOYSA-N 0 0 286.322 1.993 10 10 CDCERN C[C@H](NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854226170 786030812 /nfs/dbraw/zinc/03/08/12/786030812.db2.gz DLKLQBSKPRINPU-IPWFMCSPSA-N 0 0 277.324 1.703 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc(Cl)c(F)c1 ZINC000808532192 786105548 /nfs/dbraw/zinc/10/55/48/786105548.db2.gz NSVJTKSLYPLRNJ-UHFFFAOYSA-N 0 0 258.632 1.794 10 10 CDCERN Cc1cn(C)nc1NC(=O)NCCc1ccc(N)cc1 ZINC000850782864 786191974 /nfs/dbraw/zinc/19/19/74/786191974.db2.gz SOBXGHHCBMSTRS-UHFFFAOYSA-N 0 0 273.340 1.675 10 10 CDCERN COC(=O)[C@@](C)(CCF)NC(=O)c1ccc(C)c(O)c1O ZINC000855911305 786217388 /nfs/dbraw/zinc/21/73/88/786217388.db2.gz VFANDXTXOBFBOF-CQSZACIVSA-N 0 0 299.298 1.427 10 10 CDCERN COc1ccc(N2CC[C@@H](NC(=O)CCC(C)=O)C2)cc1 ZINC000855234970 786232037 /nfs/dbraw/zinc/23/20/37/786232037.db2.gz SGFAUOKAKCNHRP-CYBMUJFWSA-N 0 0 290.363 1.759 10 10 CDCERN COC(OC)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000923678270 786288563 /nfs/dbraw/zinc/28/85/63/786288563.db2.gz VOAJSKHBSJEDLN-JTQLQIEISA-N 0 0 282.340 1.541 10 10 CDCERN Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858434813 786341468 /nfs/dbraw/zinc/34/14/68/786341468.db2.gz QDMDJLKLSDYVMX-AAEUAGOBSA-N 0 0 275.352 1.818 10 10 CDCERN COc1cccc(O)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726184 786361655 /nfs/dbraw/zinc/36/16/55/786361655.db2.gz IBNXMXXRUCYODX-ZDUSSCGKSA-N 0 0 273.279 1.603 10 10 CDCERN CCN1C[C@H](CN(C)c2ccc(OC)cc2)OC1=O ZINC000847011218 786395145 /nfs/dbraw/zinc/39/51/45/786395145.db2.gz ZNJHXSQQBYIFKB-ZDUSSCGKSA-N 0 0 264.325 1.972 10 10 CDCERN CC(C)(CNC(=O)C1=CC(=O)CS1)[C@@]1(O)CCOC1 ZINC000844150049 786506567 /nfs/dbraw/zinc/50/65/67/786506567.db2.gz VXQMDLKENGQHED-CYBMUJFWSA-N 0 0 285.365 1.361 10 10 CDCERN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(F)cc1[O-] ZINC000723538943 786520787 /nfs/dbraw/zinc/52/07/87/786520787.db2.gz HCLJHKHSBCSPDD-ZJUUUORDSA-N 0 0 266.316 1.660 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000850064089 786754610 /nfs/dbraw/zinc/75/46/10/786754610.db2.gz FVMCGBGBTGPVNQ-QMMMGPOBSA-N 0 0 262.261 1.325 10 10 CDCERN COc1nnc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000930095131 786776979 /nfs/dbraw/zinc/77/69/79/786776979.db2.gz VUYHXSFQIPVSCS-UHFFFAOYSA-N 0 0 279.321 1.912 10 10 CDCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000861520774 786814157 /nfs/dbraw/zinc/81/41/57/786814157.db2.gz KERIYMVLOMNVDW-BSTOTGJRSA-N 0 0 291.351 1.135 10 10 CDCERN O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@H]1CS2 ZINC000838321218 786822242 /nfs/dbraw/zinc/82/22/42/786822242.db2.gz WMQHJOPHMFHEOG-YUMQZZPRSA-N 0 0 251.307 1.428 10 10 CDCERN C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000858434830 786824174 /nfs/dbraw/zinc/82/41/74/786824174.db2.gz QRWKHQJSCPXLHN-PELKAZGASA-N 0 0 297.305 1.788 10 10 CDCERN CN(CC(=O)NC(C)(C)C)C(=O)c1cccc(O)c1O ZINC000186793987 786830952 /nfs/dbraw/zinc/83/09/52/786830952.db2.gz UFJIAJIZIPMTBL-UHFFFAOYSA-N 0 0 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789338063 /nfs/dbraw/zinc/33/80/63/789338063.db2.gz ASADNDBRGIVSHD-GFCCVEGCSA-N 0 0 292.335 1.427 10 10 CDCERN CCC[N@H+](CC(=O)N(C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703517570 789522680 /nfs/dbraw/zinc/52/26/80/789522680.db2.gz MFBAQVICODNRMI-UHFFFAOYSA-N 0 0 286.322 1.971 10 10 CDCERN O=C(c1cccc(O)c1O)N1CCO[C@@H](C(F)F)C1 ZINC000801423708 789742229 /nfs/dbraw/zinc/74/22/29/789742229.db2.gz HBCZCHYIRRPJPF-SECBINFHSA-N 0 0 273.235 1.204 10 10 CDCERN Cc1nnc2n1C[C@@H](C(=O)N1Cc3cccc(O)c3C1)CC2 ZINC000871203916 789822634 /nfs/dbraw/zinc/82/26/34/789822634.db2.gz VEBIQRANTHTJGI-LBPRGKRZSA-N 0 0 298.346 1.397 10 10 CDCERN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000865871414 789850207 /nfs/dbraw/zinc/85/02/07/789850207.db2.gz CKVUNBOJRCYCSX-KOLCDFICSA-N 0 0 268.313 1.940 10 10 CDCERN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)CC(N)=O ZINC001634939654 1166547867 /nfs/dbraw/zinc/54/78/67/1166547867.db2.gz RNFIDCWAJQUCHD-VIFPVBQESA-N 0 0 285.340 1.006 10 10 CDCERN 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C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1C ZINC001348639526 966106839 /nfs/dbraw/zinc/10/68/39/966106839.db2.gz NDFAQDRQOWLYAA-MNOVXSKESA-N 0 0 288.347 1.491 10 10 CDCERN O=C(NCc1cnn2c1CCCC2)c1cccc(O)c1O ZINC001350717072 966744000 /nfs/dbraw/zinc/74/40/00/966744000.db2.gz KKDBHTSVYUKEHG-UHFFFAOYSA-N 0 0 287.319 1.561 10 10 CDCERN CC(C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O ZINC001542231849 967217401 /nfs/dbraw/zinc/21/74/01/967217401.db2.gz CWXANEMCEHEZOT-UHFFFAOYSA-N 0 0 294.332 1.306 10 10 CDCERN Cc1nc(NC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 ZINC001542827997 967248768 /nfs/dbraw/zinc/24/87/68/967248768.db2.gz AAOIIIGKZSDSKN-UHFFFAOYSA-N 0 0 290.304 1.991 10 10 CDCERN CN(C)c1ncccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001544581475 967369061 /nfs/dbraw/zinc/36/90/61/967369061.db2.gz UCUDETJMCZFJDU-UHFFFAOYSA-N 0 0 287.319 1.740 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cncc(O)c1 ZINC001451772379 968006515 /nfs/dbraw/zinc/00/65/15/968006515.db2.gz VNLUVGNSNXCWIX-UHFFFAOYSA-N 0 0 260.249 1.128 10 10 CDCERN COCn1ccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001452936625 968208611 /nfs/dbraw/zinc/20/86/11/968208611.db2.gz QGTIVFQZXRWUPO-UHFFFAOYSA-N 0 0 295.726 1.776 10 10 CDCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]1(C)CO ZINC001453681952 968360207 /nfs/dbraw/zinc/36/02/07/968360207.db2.gz BIAOWMBYCDFGGF-BMIGLBTASA-N 0 0 279.336 1.117 10 10 CDCERN C[C@@]1(C(=O)NCc2cc(O)ccc2O)CCOC1 ZINC001455356788 968690250 /nfs/dbraw/zinc/69/02/50/968690250.db2.gz KJJGLPHNNYOODP-CYBMUJFWSA-N 0 0 251.282 1.141 10 10 CDCERN CCCCO[C@@H](C)C(=O)NCc1c(O)cccc1O ZINC001456238565 968915421 /nfs/dbraw/zinc/91/54/21/968915421.db2.gz ZOFQKSDJBURYIK-JTQLQIEISA-N 0 0 267.325 1.919 10 10 CDCERN CC(C)(CO)CCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001465829126 969900068 /nfs/dbraw/zinc/90/00/68/969900068.db2.gz XAWCTAAOTKOSNT-UHFFFAOYSA-N 0 0 281.352 1.555 10 10 CDCERN CCn1ccc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC001469928608 970279232 /nfs/dbraw/zinc/27/92/32/970279232.db2.gz CVSVBTLFIKISAW-UHFFFAOYSA-N 0 0 261.281 1.875 10 10 CDCERN 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1166423824 /nfs/dbraw/zinc/42/38/24/1166423824.db2.gz XKMGAPGWIWBNRV-GFCCVEGCSA-N 0 0 279.336 1.525 10 10 CDCERN C[C@@H](CCCCO)NC(=O)Cc1ccc(O)c(O)c1 ZINC001636090971 1166652893 /nfs/dbraw/zinc/65/28/93/1166652893.db2.gz ZQPCFQCLBYEQFA-JTQLQIEISA-N 0 0 267.325 1.308 10 10 CDCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)F ZINC001638793250 1166872319 /nfs/dbraw/zinc/87/23/19/1166872319.db2.gz FNZDMMWXJAADLW-YSCPKTQFSA-N 0 0 257.236 1.881 10 10 CDCERN CO[C@H]1CCC[C@@H](CC(=O)OCC(=O)C(C)=O)C1 ZINC000808546230 818040113 /nfs/dbraw/zinc/04/01/13/818040113.db2.gz FHXBKKUYFJIDAU-MNOVXSKESA-N 0 0 256.298 1.283 10 10 CDCERN C[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)[C@@H]1CCCO1 ZINC000923052731 818307865 /nfs/dbraw/zinc/30/78/65/818307865.db2.gz RRYKIXWXDCPTPM-XPTSAGLGSA-N 0 0 294.303 1.639 10 10 CDCERN CC(=O)C(=O)COC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000808520426 818339246 /nfs/dbraw/zinc/33/92/46/818339246.db2.gz QVAGXPUUFDEDLM-UHFFFAOYSA-N 0 0 291.234 1.394 10 10 CDCERN 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C[C@H](O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001470390061 970321524 /nfs/dbraw/zinc/32/15/24/970321524.db2.gz KYRQFUACOFDUTR-QMMMGPOBSA-N 0 0 276.296 1.492 10 10 CDCERN Cc1nc(CNC(=O)Cc2ccc(O)c(O)c2)oc1C ZINC001471485988 970427595 /nfs/dbraw/zinc/42/75/95/970427595.db2.gz CZZFKNYRXONANC-UHFFFAOYSA-N 0 0 276.292 1.562 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1csc(=O)[nH]1 ZINC001471661244 970457815 /nfs/dbraw/zinc/45/78/15/970457815.db2.gz KRHXFOIACPGEEQ-UHFFFAOYSA-N 0 0 266.278 1.190 10 10 CDCERN O=C(NCc1c(O)cccc1O)[C@H]1CCc2cncn2C1 ZINC001472064293 970556963 /nfs/dbraw/zinc/55/69/63/970556963.db2.gz ZZALRVPQIRSFOA-JTQLQIEISA-N 0 0 287.319 1.173 10 10 CDCERN Cn1cnc(CNC(=O)NCc2ccccc2O)c1 ZINC001676722446 1174262957 /nfs/dbraw/zinc/26/29/57/1174262957.db2.gz GKQNDBIMRJOVNQ-UHFFFAOYSA-N 0 0 260.297 1.125 10 10 CDCERN CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000160214324 362405103 /nfs/dbraw/zinc/40/51/03/362405103.db2.gz ADGCQFDVHPCJGM-GFCCVEGCSA-N 0 0 266.316 1.632 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C2CC2)CC1 ZINC000180986069 357300144 /nfs/dbraw/zinc/30/01/44/357300144.db2.gz XFJQSAQDSZSXSA-QHHAFSJGSA-N 0 0 288.347 1.418 10 10 CDCERN Cc1cc(C[C@H](C)NC(=O)c2cccc(O)c2O)[nH]n1 ZINC000187196589 357740344 /nfs/dbraw/zinc/74/03/44/357740344.db2.gz SXHUPHJAMMGWFL-QMMMGPOBSA-N 0 0 275.308 1.490 10 10 CDCERN CCN(CC)c1ccc(CNC(=O)CC(N)=O)cc1 ZINC000266800047 363659548 /nfs/dbraw/zinc/65/95/48/363659548.db2.gz FFJRAJLWLDVGTN-UHFFFAOYSA-N 0 0 263.341 1.024 10 10 CDCERN CSC[C@](C)(O)C[NH2+]Cc1cccc(F)c1[O-] ZINC000226611218 359703821 /nfs/dbraw/zinc/70/38/21/359703821.db2.gz RLQDHPDEYBGPIK-GFCCVEGCSA-N 0 0 259.346 1.735 10 10 CDCERN CCOC[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000529667516 368087184 /nfs/dbraw/zinc/08/71/84/368087184.db2.gz XVJICFDNKADGFS-GFCCVEGCSA-N 0 0 269.316 1.769 10 10 CDCERN Cc1ccc(C(=O)N2CCC([C@H](C)O)CC2)c(O)c1O ZINC000182471230 391234981 /nfs/dbraw/zinc/23/49/81/391234981.db2.gz YFIVZRKRMKGNJX-JTQLQIEISA-N 0 0 279.336 1.639 10 10 CDCERN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2O)[nH]n1 ZINC000182831199 391245676 /nfs/dbraw/zinc/24/56/76/391245676.db2.gz HNTKYSDZXNNTHV-SECBINFHSA-N 0 0 289.335 1.799 10 10 CDCERN CN(C)c1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1F ZINC000366559632 391530146 /nfs/dbraw/zinc/53/01/46/391530146.db2.gz NYVCBVIZUMYYNY-UONOGXRCSA-N 0 0 250.317 1.865 10 10 CDCERN C[C@@H]1SC(=S)N(CCC(=O)NCc2ccco2)C1=O ZINC000011636016 170430270 /nfs/dbraw/zinc/43/02/70/170430270.db2.gz HQVJKFOGPSNMIF-QMMMGPOBSA-N 0 0 298.389 1.535 10 10 CDCERN COc1ccc(S(=O)(=O)[N-][N+]#N)cc1NC(C)=O ZINC000034669683 171856631 /nfs/dbraw/zinc/85/66/31/171856631.db2.gz HKZICNXLGAOZSU-UHFFFAOYSA-N 0 0 270.270 1.653 10 10 CDCERN CCCCS(=O)(=O)N(C)Cc1ccc(N)cc1 ZINC000035360313 172151736 /nfs/dbraw/zinc/15/17/36/172151736.db2.gz GNSLTDQVVAWYQR-UHFFFAOYSA-N 0 0 256.371 1.831 10 10 CDCERN CC(C)N(CCCO)C(=O)Cc1ccc(N)cc1 ZINC000038099671 174113957 /nfs/dbraw/zinc/11/39/57/174113957.db2.gz OWNLMQAEOXOONL-UHFFFAOYSA-N 0 0 250.342 1.431 10 10 CDCERN Cc1cc(C(=O)N2CC(CO)C2)c(C)n1-c1ccccn1 ZINC000184209701 262012456 /nfs/dbraw/zinc/01/24/56/262012456.db2.gz USXZWVADFPEQCM-UHFFFAOYSA-N 0 0 285.347 1.553 10 10 CDCERN Cc1nc([C@@H]2CN(Cc3cccc(C)c3O)CCO2)n[nH]1 ZINC000180612199 329221236 /nfs/dbraw/zinc/22/12/36/329221236.db2.gz VZWRIUUWTXEFCD-ZDUSSCGKSA-N 0 0 288.351 1.701 10 10 CDCERN CO[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1C ZINC000230211689 333315550 /nfs/dbraw/zinc/31/55/50/333315550.db2.gz BBWVQHHKVBJWAQ-FZMZJTMJSA-N 0 0 262.353 1.695 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1cnc(Cl)cn1 ZINC001649075648 1161362301 /nfs/dbraw/zinc/36/23/01/1161362301.db2.gz ACYDFBRGFHONIJ-UHFFFAOYSA-N 0 0 281.674 1.905 10 10 CDCERN COC[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000103428657 522169186 /nfs/dbraw/zinc/16/91/86/522169186.db2.gz PYWSWGUGMGCGFB-GFCCVEGCSA-N 0 0 264.369 1.994 10 10 CDCERN COc1cc(NS(=O)(=O)C[C@@H](C)OC)ccc1O ZINC000282252880 522754163 /nfs/dbraw/zinc/75/41/63/522754163.db2.gz RMYHJXRCSPOMPL-MRVPVSSYSA-N 0 0 275.326 1.177 10 10 CDCERN C[C@H](NCc1ccc(N(C)C)cc1)c1ncnn1C ZINC000276786197 525445281 /nfs/dbraw/zinc/44/52/81/525445281.db2.gz XMGQNRIJCRNXSI-NSHDSACASA-N 0 0 259.357 1.732 10 10 CDCERN O=C(NCc1ccccc1O)[C@H]1CCCCC(=O)N1 ZINC000279081712 526755566 /nfs/dbraw/zinc/75/55/66/526755566.db2.gz BLOBMZFKWMCWJJ-LLVKDONJSA-N 0 0 262.309 1.067 10 10 CDCERN O=C1CCc2cc(N3CC[C@H](O)C3)c([N+](=O)[O-])cc2N1 ZINC000061707304 526997737 /nfs/dbraw/zinc/99/77/37/526997737.db2.gz WFVGZJYJRKRVGG-VIFPVBQESA-N 0 0 277.280 1.051 10 10 CDCERN COc1c([O-])c(C[NH2+][C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000774975860 575258341 /nfs/dbraw/zinc/25/83/41/575258341.db2.gz DJKZJUDAUNGGOH-LLVKDONJSA-N 0 0 295.339 1.493 10 10 CDCERN O=C1N=C(N2CCOCC2)S/C1=C\c1nccs1 ZINC000735228981 575439706 /nfs/dbraw/zinc/43/97/06/575439706.db2.gz NAYBZCKUXFPMFD-FPLPWBNLSA-N 0 0 281.362 1.446 10 10 CDCERN COC(=O)[C@H](OC(=O)c1ccc(C)c(O)c1O)C1CC1 ZINC000772068983 575658046 /nfs/dbraw/zinc/65/80/46/575658046.db2.gz JJSNTQMXGSWMSC-GFCCVEGCSA-N 0 0 280.276 1.515 10 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1.947 10 10 CDCERN CN(C)c1ccc(CN2CCCn3nncc3C2)cc1F ZINC000895755960 619828391 /nfs/dbraw/zinc/82/83/91/619828391.db2.gz ANZFHPOPBKHDGJ-UHFFFAOYSA-N 0 0 289.358 1.889 10 10 CDCERN CCOc1cccc(CN2CCCn3nncc3C2)c1O ZINC000895756339 619829319 /nfs/dbraw/zinc/82/93/19/619829319.db2.gz IKPLNNAKZVGHBX-UHFFFAOYSA-N 0 0 288.351 1.788 10 10 CDCERN COc1cccc(CNC(=O)[C@@H]2C[C@H](C)CO2)c1O ZINC000896117169 619989802 /nfs/dbraw/zinc/98/98/02/619989802.db2.gz OWGPWDNZAXFCEI-CABZTGNLSA-N 0 0 265.309 1.442 10 10 CDCERN CCC/C=C/[C@@H](O)C(=O)NCc1cccc(OC)c1O ZINC000901126159 623881937 /nfs/dbraw/zinc/88/19/37/623881937.db2.gz ALWJNRQJWGUJFV-FZKGZDJFSA-N 0 0 279.336 1.734 10 10 CDCERN C[C@H]1CO[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901133351 623892209 /nfs/dbraw/zinc/89/22/09/623892209.db2.gz WTWTYVSZFXLKEB-PRHODGIISA-N 0 0 251.282 1.139 10 10 CDCERN C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910948176 629126919 /nfs/dbraw/zinc/12/69/19/629126919.db2.gz WAPHJPRKCLEYLX-CABZTGNLSA-N 0 0 265.309 1.387 10 10 CDCERN CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000913726127 630740573 /nfs/dbraw/zinc/74/05/73/630740573.db2.gz INEIVNZJJRBFDC-QCZZGDTMSA-N 0 0 261.321 1.905 10 10 CDCERN C[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCCS1(=O)=O ZINC000913726293 630740604 /nfs/dbraw/zinc/74/06/04/630740604.db2.gz LXCACQDXQRRWLV-AWEZNQCLSA-N 0 0 295.360 1.202 10 10 CDCERN Cc1ncc(C(=O)N2Cc3cccc(O)c3C2)n1C ZINC000913725890 630740688 /nfs/dbraw/zinc/74/06/88/630740688.db2.gz CGUJUXHLFZZSTK-UHFFFAOYSA-N 0 0 257.293 1.590 10 10 CDCERN Cc1ccc(O)c(CNC(=O)NCC2CSC2)c1 ZINC000923832464 632251850 /nfs/dbraw/zinc/25/18/50/632251850.db2.gz IKJHWXFGEGQZSU-UHFFFAOYSA-N 0 0 266.366 1.863 10 10 CDCERN O=S(=O)(CC1(F)CC1)N1Cc2cccc(O)c2C1 ZINC000918884648 632461502 /nfs/dbraw/zinc/46/15/02/632461502.db2.gz XJBFGFTVTBWODC-UHFFFAOYSA-N 0 0 271.313 1.540 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000808501627 1162865773 /nfs/dbraw/zinc/86/57/73/1162865773.db2.gz SOVYXMKOUIBODV-SECBINFHSA-N 0 0 268.240 1.294 10 10 CDCERN COc1ccc(CNC(=S)NC[C@@H]2CCCO2)c(O)c1 ZINC000795032590 1164982043 /nfs/dbraw/zinc/98/20/43/1164982043.db2.gz VIGOKUNYVQQAFB-LBPRGKRZSA-N 0 0 296.392 1.544 10 10 CDCERN Cc1nnc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)[nH]1 ZINC001611278644 1165486886 /nfs/dbraw/zinc/48/68/86/1165486886.db2.gz TZOVZOJHJXKAQD-YFKPBYRVSA-N 0 0 280.259 1.154 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1O ZINC001622771687 1165738758 /nfs/dbraw/zinc/73/87/58/1165738758.db2.gz NIROVOSFNKEXOI-UHFFFAOYSA-N 0 0 287.315 1.705 10 10 CDCERN C[C@H](C[S@@](C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001625047651 1165881390 /nfs/dbraw/zinc/88/13/90/1165881390.db2.gz PCUNDNIVYJTMDT-ZPWHCFADSA-N 0 0 296.352 1.346 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N2Cc3cncnc3C2)cc1 ZINC001625152161 1165890097 /nfs/dbraw/zinc/89/00/97/1165890097.db2.gz AVXFHOWTSKQUCY-UHFFFAOYSA-N 0 0 296.290 1.795 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NC2(CCO)CC2)cc1 ZINC001625268369 1165895694 /nfs/dbraw/zinc/89/56/94/1165895694.db2.gz CQOFEUYOMULFJM-UHFFFAOYSA-N 0 0 276.296 1.494 10 10 CDCERN Cc1cccc(CNC(=O)c2cccc(O)c2O)n1 ZINC000126378738 1165986074 /nfs/dbraw/zinc/98/60/74/1165986074.db2.gz YCYWBVBLKNMXPX-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN Cc1ccc(O)c(CNC(=O)c2c[nH]c(=O)n2C)c1 ZINC001633281944 1166413920 /nfs/dbraw/zinc/41/39/20/1166413920.db2.gz ADDCDYYZIIZMDI-UHFFFAOYSA-N 0 0 261.281 1.070 10 10 CDCERN C[C@]1(C(=O)NCc2cc(O)ccc2O)CCCOC1 ZINC001633598830 1166435544 /nfs/dbraw/zinc/43/55/44/1166435544.db2.gz CTPBSUKXANDCLK-AWEZNQCLSA-N 0 0 265.309 1.531 10 10 CDCERN O=C(Nc1ccc(CO)c(CO)c1)C1=CC(=O)CS1 ZINC001634105932 1166470603 /nfs/dbraw/zinc/47/06/03/1166470603.db2.gz SBUHRQLAGJFBDQ-UHFFFAOYSA-N 0 0 279.317 1.691 10 10 CDCERN C[C@H](NC(=O)c1nc2ncccn2n1)c1ccccc1O ZINC001635803860 1166624448 /nfs/dbraw/zinc/62/44/48/1166624448.db2.gz LXASOUVRKFHJJY-VIFPVBQESA-N 0 0 283.291 1.321 10 10 CDCERN Cc1c[nH]c(C2(NC(=O)c3cccc(O)c3O)CCC2)n1 ZINC001636534626 1166681779 /nfs/dbraw/zinc/68/17/79/1166681779.db2.gz REDSZWWJHZOSIY-UHFFFAOYSA-N 0 0 287.319 1.939 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NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)C2CC2)cc1 ZINC001622159552 1165717583 /nfs/dbraw/zinc/71/75/83/1165717583.db2.gz RAMYXFYXJBAWST-NSHDSACASA-N 0 0 276.296 1.350 10 10 CDCERN CC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)n(C)c1 ZINC001626837679 1165961662 /nfs/dbraw/zinc/96/16/62/1165961662.db2.gz CWZKRTXOLJUFCH-UHFFFAOYSA-N 0 0 288.303 1.569 10 10 CDCERN CC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)o1 ZINC001633515784 1166428493 /nfs/dbraw/zinc/42/84/93/1166428493.db2.gz QBADLHOFMTTXFY-UHFFFAOYSA-N 0 0 275.260 1.823 10 10 CDCERN COc1cccc(CNC(=O)c2ccns2)c1O ZINC001636061566 1166647898 /nfs/dbraw/zinc/64/78/98/1166647898.db2.gz QWPOWIRWENQOFS-UHFFFAOYSA-N 0 0 264.306 1.787 10 10 CDCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(F)CC1 ZINC000843531966 823716790 /nfs/dbraw/zinc/71/67/90/823716790.db2.gz OGTFLIVSGXRLRH-UHFFFAOYSA-N 0 0 296.317 1.781 10 10 CDCERN CC1(C)OCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000857335197 823713360 /nfs/dbraw/zinc/71/33/60/823713360.db2.gz RHAYLLCOXOWZDI-MRVPVSSYSA-N 0 0 283.299 1.782 10 10 CDCERN 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O=C1NC(=S)C(=Cc2ccc(O)c(O)c2O)S1 ZINC000095552985 185008176 /nfs/dbraw/zinc/00/81/76/185008176.db2.gz AEYVPPVMCLJOGX-UTCJRWHESA-N 0 0 269.303 1.928 10 10 CDCERN [NH3+][C@@H](Cc1ccc(O)c(O)c1-c1ccccc1)C(=O)[O-] ZINC000584611758 346499417 /nfs/dbraw/zinc/49/94/17/346499417.db2.gz VFOHCAUJUQYAKR-NSHDSACASA-N 0 0 273.288 1.719 10 10 CDCERN CC(=O)[C@H](N=Nc1cnn(C)c1)C(=O)OC(C)(C)C ZINC000616220954 349380150 /nfs/dbraw/zinc/38/01/50/349380150.db2.gz NLHXAYMVGNXXTN-JTQLQIEISA-N 0 0 266.301 1.803 10 10 CDCERN Cc1cccc(CN2CCS(=O)(=O)[C@@H](C)C2)c1O ZINC000123396950 360283939 /nfs/dbraw/zinc/28/39/39/360283939.db2.gz XVCBHEPAXUTRBO-NSHDSACASA-N 0 0 269.366 1.320 10 10 CDCERN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=N ZINC000575409166 364759029 /nfs/dbraw/zinc/75/90/29/364759029.db2.gz DTLXDHOZAZLOTA-WPRPVWTQSA-O 0 0 256.326 1.805 10 10 CDCERN O=C(NCC[C@@H]1CCCOC1)c1c(F)ccc(O)c1O ZINC000530264799 368152664 /nfs/dbraw/zinc/15/26/64/368152664.db2.gz KSHMYFGHJCEULU-VIFPVBQESA-N 0 0 283.299 1.783 10 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C[C@H](NC(=O)CNC(=O)N1CCCC1)c1ccccc1O ZINC000913763651 630747756 /nfs/dbraw/zinc/74/77/56/630747756.db2.gz MRORPGPPBGPCOX-NSHDSACASA-N 0 0 291.351 1.375 10 10 CDCERN O=c1[nH]c2ccccc2c(=O)n1CCc1ccc(O)c(O)c1 ZINC000153344501 631561399 /nfs/dbraw/zinc/56/13/99/631561399.db2.gz RDTDMLIGQPSGPE-UHFFFAOYSA-N 0 0 298.298 1.344 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](O)C(C)C)c1 ZINC000153874524 631931194 /nfs/dbraw/zinc/93/11/94/631931194.db2.gz FSPFJIVRWDRHPI-QMTHXVAHSA-N 0 0 281.352 1.985 10 10 CDCERN COC[C@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000924015753 632367886 /nfs/dbraw/zinc/36/78/86/632367886.db2.gz UXCWKMRCSIYWHL-AOOOYVTPSA-N 0 0 282.315 1.756 10 10 CDCERN C[C@H](NC(=O)O[C@H]1CCOC1)c1ccccc1O ZINC000919117380 632504367 /nfs/dbraw/zinc/50/43/67/632504367.db2.gz CKIHUHCCVDAHPR-UWVGGRQHSA-N 0 0 251.282 1.968 10 10 CDCERN O=C1N=C(N2CCCCC2)S/C1=C\c1ncc[nH]1 ZINC000920244248 632746212 /nfs/dbraw/zinc/74/62/12/632746212.db2.gz OGVQFXFHCYCXFC-HJWRWDBZSA-N 0 0 262.338 1.866 10 10 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CDCERN C[C@@H]1[NH2+]CC[C@H]1NCc1cccc(Br)c1[O-] ZINC000863487472 847352979 /nfs/dbraw/zinc/35/29/79/847352979.db2.gz QCZFXYJEUCJYAN-GZMMTYOYSA-N 0 0 285.185 1.995 10 10 CDCERN N#Cc1ccc(OCCNC(=O)c2cccc(O)c2O)cc1 ZINC000193096551 847609648 /nfs/dbraw/zinc/60/96/48/847609648.db2.gz WDVLELMTXFWRQY-UHFFFAOYSA-N 0 0 298.298 1.778 10 10 CDCERN COC[C@H]1C(=O)N[C@H](c2cc(C)c(C)cc2O)N1C ZINC000840831115 847669306 /nfs/dbraw/zinc/66/93/06/847669306.db2.gz HCPMGWGQQMGXHF-AAEUAGOBSA-N 0 0 264.325 1.084 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000808523592 847700767 /nfs/dbraw/zinc/70/07/67/847700767.db2.gz HPWHREVYKZWMJE-CJNGLKHVSA-N 0 0 272.300 1.592 10 10 CDCERN CC[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC ZINC000849322180 847711358 /nfs/dbraw/zinc/71/13/58/847711358.db2.gz PAYWDFDVBXTENW-SWLSCSKDSA-N 0 0 292.379 1.815 10 10 CDCERN COc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1C ZINC000714244251 847717324 /nfs/dbraw/zinc/71/73/24/847717324.db2.gz CXMQYYBGCZQFRJ-JOCQHMNTSA-N 0 0 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1.103 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NCc2ncc[nH]2)cc1 ZINC001543632764 967310950 /nfs/dbraw/zinc/31/09/50/967310950.db2.gz PLCGXPLSVYWGQL-UHFFFAOYSA-N 0 0 272.268 1.502 10 10 CDCERN O=C(COCC1CC1)NCc1cccc(O)c1O ZINC001352658780 967408224 /nfs/dbraw/zinc/40/82/24/967408224.db2.gz YGELTNITWJGFMW-UHFFFAOYSA-N 0 0 251.282 1.141 10 10 CDCERN CCC/C=C/[C@H](O)C(=O)NCc1cccc(O)c1O ZINC001352668930 967413850 /nfs/dbraw/zinc/41/38/50/967413850.db2.gz FYRKHMXZSRPENK-NTYUQYKDSA-N 0 0 265.309 1.431 10 10 CDCERN CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O ZINC001569550732 1169920075 /nfs/dbraw/zinc/92/00/75/1169920075.db2.gz LNKAAJYUBQRALK-SSDOTTSWSA-N 0 0 294.332 1.306 10 10 CDCERN Cn1nncc1C(=O)NCc1cccc(Cl)c1O ZINC001457038182 969096344 /nfs/dbraw/zinc/09/63/44/969096344.db2.gz VPFQSHDRLVQZNB-UHFFFAOYSA-N 0 0 266.688 1.104 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1c[nH]c(=S)[nH]1 ZINC001458027127 969250026 /nfs/dbraw/zinc/25/00/26/969250026.db2.gz LUXOKZNJNLIUQD-UHFFFAOYSA-N 0 0 267.285 1.473 10 10 CDCERN Cn1cnc(/C=C\C(=O)N2CCc3ncccc32)c1 ZINC001520491296 970192765 /nfs/dbraw/zinc/19/27/65/970192765.db2.gz JGAYDIMNNNABPG-PLNGDYQASA-N 0 0 254.293 1.418 10 10 CDCERN Nc1ccnc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001471355387 970415184 /nfs/dbraw/zinc/41/51/84/970415184.db2.gz IEBGODNSIFJLGE-UHFFFAOYSA-N 0 0 255.277 1.525 10 10 CDCERN COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)o1 ZINC001471661542 970458542 /nfs/dbraw/zinc/45/85/42/970458542.db2.gz RZRDVKVTYUOZCZ-UHFFFAOYSA-N 0 0 291.259 1.407 10 10 CDCERN C[C@@H](C(=O)NCc1c(O)cccc1F)c1cnccn1 ZINC001471976422 970525635 /nfs/dbraw/zinc/52/56/35/970525635.db2.gz YRWPVWZMBCIJRT-SECBINFHSA-N 0 0 275.283 1.741 10 10 CDCERN Cc1ccc(N(C)C(=O)/C=C/c2cnn(C)c2)nn1 ZINC001523019335 970632270 /nfs/dbraw/zinc/63/22/70/970632270.db2.gz KGVHCNSMTKKXCK-FNORWQNLSA-N 0 0 257.297 1.195 10 10 CDCERN CN(CCc1cnccn1)C(=O)c1c(F)ccc(O)c1O ZINC001472537455 970659127 /nfs/dbraw/zinc/65/91/27/970659127.db2.gz DSKYEGSBAKPBBK-UHFFFAOYSA-N 0 0 291.282 1.342 10 10 CDCERN CC(C)(C)C[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 ZINC001596918436 1174249496 /nfs/dbraw/zinc/24/94/96/1174249496.db2.gz HZYLRZBRQDEWSA-LLVKDONJSA-N 0 0 281.352 1.554 10 10 CDCERN C[C@H]1COCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001597573234 1174280650 /nfs/dbraw/zinc/28/06/50/1174280650.db2.gz AGBDERDHAXXSJB-UWVGGRQHSA-N 0 0 265.309 1.387 10 10 CDCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)n(C)n1 ZINC001570462340 1170164753 /nfs/dbraw/zinc/16/47/53/1170164753.db2.gz PHBLINCBDVEWIL-UHFFFAOYSA-N 0 0 261.281 1.070 10 10 CDCERN C[C@@H]1CCC(=O)N1C[C@H](O)c1ccc(O)c(O)c1 ZINC000584630336 346504608 /nfs/dbraw/zinc/50/46/08/346504608.db2.gz ZEHZXKYCFBWOHG-PELKAZGASA-N 0 0 251.282 1.142 10 10 CDCERN CSCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065420232 348955235 /nfs/dbraw/zinc/95/52/35/348955235.db2.gz AIFHMCXKXVPUOJ-UHFFFAOYSA-N 0 0 294.420 1.893 10 10 CDCERN Cc1cc2c(c(O)c1O)C(=O)c1c(O)cccc1C2=O ZINC000004098690 356252478 /nfs/dbraw/zinc/25/24/78/356252478.db2.gz CQNVSNFEXPKHGW-UHFFFAOYSA-N 0 0 270.240 1.887 10 10 endogenous,in-man CDCERN OCC[C@H](NO)c1cc(Br)ccc1O ZINC000308608035 358853292 /nfs/dbraw/zinc/85/32/92/358853292.db2.gz XEBZKSFKXFCOFL-QMMMGPOBSA-N 0 0 262.103 1.557 10 10 CDCERN CCN(C[C@H](O)COC)c1ccc(OC)c(OC)c1 ZINC000269598925 364258933 /nfs/dbraw/zinc/25/89/33/364258933.db2.gz KGCWGZHNJWIHAZ-LBPRGKRZSA-N 0 0 269.341 1.537 10 10 CDCERN CS(=O)(=O)c1ccc(Nc2ccc(N)cn2)cc1 ZINC000034971831 364379999 /nfs/dbraw/zinc/37/99/99/364379999.db2.gz CYICIBCCYFHKSW-UHFFFAOYSA-N 0 0 263.322 1.811 10 10 CDCERN CCN(CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000271179294 364962781 /nfs/dbraw/zinc/96/27/81/364962781.db2.gz YNCQDGCOCKZOPE-UHFFFAOYSA-N 0 0 268.332 1.887 10 10 CDCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000273399328 365493086 /nfs/dbraw/zinc/49/30/86/365493086.db2.gz MRTYJFPAIGPYHO-SNVBAGLBSA-N 0 0 289.335 1.763 10 10 CDCERN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000284853947 368555857 /nfs/dbraw/zinc/55/58/57/368555857.db2.gz CVLVEKBXONYAJO-GXTWGEPZSA-N 0 0 285.359 1.779 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C[C@H](c1ccccc1O)N(C)S(=O)(=O)N1CCCC1 ZINC000038089883 174103274 /nfs/dbraw/zinc/10/32/74/174103274.db2.gz DFBZUSGWDZUHIS-LLVKDONJSA-N 0 0 284.381 1.726 10 10 CDCERN CN(C)c1noc(CN(C)Cc2ccccc2O)n1 ZINC000185274562 262048497 /nfs/dbraw/zinc/04/84/97/262048497.db2.gz JZRHXDYJOOFCIZ-UHFFFAOYSA-N 0 0 262.313 1.473 10 10 CDCERN Cc1ccc(C(=O)NC(C)(C)[C@H](C)O)c(O)c1O ZINC000272817241 263009117 /nfs/dbraw/zinc/00/91/17/263009117.db2.gz MRSYIJQWZPCONK-QMMMGPOBSA-N 0 0 253.298 1.295 10 10 CDCERN COc1cccc(CN2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282762577 263078591 /nfs/dbraw/zinc/07/85/91/263078591.db2.gz OWCMAGLNMOGOSF-SNVBAGLBSA-N 0 0 264.325 1.063 10 10 CDCERN NC(=O)C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000367709050 267112281 /nfs/dbraw/zinc/11/22/81/267112281.db2.gz SMHHOMCJJNQKME-SECBINFHSA-N 0 0 252.289 1.229 10 10 CDCERN COc1cc([N+](=O)[O-])c(N2C[C@@H](O)C3(CC3)C2)cc1OC ZINC000364417612 277839637 /nfs/dbraw/zinc/83/96/37/277839637.db2.gz QCFWAFRNOYYSOL-CYBMUJFWSA-N 0 0 294.307 1.573 10 10 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CDCERN COc1ccc(O)c([C@@H](C)NC(=O)c2n[nH]cc2F)c1 ZINC001631542103 1166285725 /nfs/dbraw/zinc/28/57/25/1166285725.db2.gz GSKKXLFCOKYUAW-SSDOTTSWSA-N 0 0 279.271 1.754 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1ccc(CO)c(F)c1 ZINC001633515619 1166427960 /nfs/dbraw/zinc/42/79/60/1166427960.db2.gz IUFVFKXBDMFOHJ-UHFFFAOYSA-N 0 0 291.278 1.659 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NCc2cccc(=O)[nH]2)cc1 ZINC001637087334 1166724752 /nfs/dbraw/zinc/72/47/52/1166724752.db2.gz PGGKYLPQJRUGDO-UHFFFAOYSA-N 0 0 299.290 1.880 10 10 CDCERN O=C(/C=C\c1ccncn1)NCc1cc(O)ccc1O ZINC001637126351 1166726954 /nfs/dbraw/zinc/72/69/54/1166726954.db2.gz UHXWNEVGIGKSHQ-RJRFIUFISA-N 0 0 271.276 1.217 10 10 CDCERN CCc1cnc(CNC(=O)Cc2ccc(O)c(O)c2)o1 ZINC001639243739 1166916869 /nfs/dbraw/zinc/91/68/69/1166916869.db2.gz XZUBDKHBIPBAJL-UHFFFAOYSA-N 0 0 276.292 1.507 10 10 CDCERN O=C(C[C@H]1CCNC1=O)NCc1c(O)ccc2ccccc21 ZINC001639387110 1166931347 /nfs/dbraw/zinc/93/13/47/1166931347.db2.gz DEVVFETWJIPYBZ-GFCCVEGCSA-N 0 0 298.342 1.688 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288.303 1.740 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1ncc(Cl)cn1 ZINC001644756491 1167347429 /nfs/dbraw/zinc/34/74/29/1167347429.db2.gz ANIGMGOIDSJBCC-UHFFFAOYSA-N 0 0 279.683 1.471 10 10 CDCERN Cc1ccc(O)c(CNC(=O)c2cc(C=O)n(C)c2)c1 ZINC001645804958 1167513945 /nfs/dbraw/zinc/51/39/45/1167513945.db2.gz NOBVAMLUFFLDBL-UHFFFAOYSA-N 0 0 272.304 1.782 10 10 CDCERN COc1ccc(C(=O)NCc2c(O)cccc2F)cn1 ZINC001646029247 1167616584 /nfs/dbraw/zinc/61/65/84/1167616584.db2.gz SZOSXYCVAQXGEE-UHFFFAOYSA-N 0 0 276.267 1.865 10 10 CDCERN CC1(C)OCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001646137982 1167661916 /nfs/dbraw/zinc/66/19/16/1167661916.db2.gz VQSPLMDEGRKYJN-NSHDSACASA-N 0 0 279.336 1.572 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](CO)C2)cc1 ZINC001646254550 1167727076 /nfs/dbraw/zinc/72/70/76/1167727076.db2.gz CLVVJUSSKOJKAU-JLIMDTESSA-N 0 0 276.296 1.350 10 10 CDCERN COc1cccc(CNC(=O)c2ccn3nccc3n2)c1O ZINC001566373869 1168263781 /nfs/dbraw/zinc/26/37/81/1168263781.db2.gz JHABLUIIPNFDRX-UHFFFAOYSA-N 0 0 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ZINC001261887472 946319164 /nfs/dbraw/zinc/31/91/64/946319164.db2.gz JHGLNCLXYADIAM-UHFFFAOYSA-N 0 0 295.338 1.764 10 10 CDCERN C[C@H](O)C[C@H](C)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001293841072 954418998 /nfs/dbraw/zinc/41/89/98/954418998.db2.gz HSSIXJKQDJVFHP-UWVGGRQHSA-N 0 0 267.325 1.164 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1cnn2ccccc12 ZINC001301651182 955968247 /nfs/dbraw/zinc/96/82/47/955968247.db2.gz ZJUQCTMZGOXGBW-UHFFFAOYSA-N 0 0 283.287 1.927 10 10 CDCERN CC1(C)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330419748 956420094 /nfs/dbraw/zinc/42/00/94/956420094.db2.gz WHHZZJQVOVVHPH-UHFFFAOYSA-N 0 0 274.320 1.245 10 10 CDCERN Cn1cc(/C=C/C(=O)N2CCc3cc(F)cnc32)cn1 ZINC001438990089 963617444 /nfs/dbraw/zinc/61/74/44/963617444.db2.gz SFDHGVHWIASHOX-NSCUHMNNSA-N 0 0 272.283 1.557 10 10 CDCERN COC(=O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001441021962 964331621 /nfs/dbraw/zinc/33/16/21/964331621.db2.gz DEKLVXRWSTZFAE-UHFFFAOYSA-N 0 0 278.268 1.094 10 10 CDCERN CCC[C@H](CNC(=O)Cc1ccc(O)c(O)c1)OC 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/nfs/dbraw/zinc/07/36/20/970073620.db2.gz ZTVRNRPXHOHMSU-ONGXEEELSA-N 0 0 290.323 1.692 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001469774048 970271559 /nfs/dbraw/zinc/27/15/59/970271559.db2.gz SDEFYCGVIZPZIG-BREBYQMCSA-N 0 0 263.293 1.076 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1ccc(CO)cc1 ZINC001471660510 970458524 /nfs/dbraw/zinc/45/85/24/970458524.db2.gz AJJNKSOYPQYOKY-UHFFFAOYSA-N 0 0 273.288 1.520 10 10 CDCERN C[C@@H](NC(=O)N[C@H]1C[C@@H](C(N)=O)C1)c1ccccc1O ZINC001674148798 1173920226 /nfs/dbraw/zinc/92/02/26/1173920226.db2.gz YMPPVPRRBFQSSQ-BBBLOLIVSA-N 0 0 277.324 1.016 10 10 CDCERN O=C(NCc1c(O)ccc2ccccc21)[C@H](O)C1CC1 ZINC001652708889 1171466793 /nfs/dbraw/zinc/46/67/93/1171466793.db2.gz OSJGVACDQOMHSU-OAHLLOKOSA-N 0 0 271.316 1.933 10 10 CDCERN COc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1OC ZINC000001089914 362536571 /nfs/dbraw/zinc/53/65/71/362536571.db2.gz FGBIDACJJLDJGM-POHAHGRESA-N 0 0 296.373 1.779 10 10 CDCERN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] 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COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(C)c(C)cc1O ZINC000249968339 377486069 /nfs/dbraw/zinc/48/60/69/377486069.db2.gz XFPORJZPSRAIFY-HIFRSBDPSA-N 0 0 293.363 1.507 10 10 CDCERN Cn1cc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000293714684 378585028 /nfs/dbraw/zinc/58/50/28/378585028.db2.gz UZZWCRIPOFFEIG-ZDUSSCGKSA-N 0 0 299.733 1.741 10 10 CDCERN COC(=O)c1cnc(SC[C@@H](O)C(F)(F)F)s1 ZINC000296205965 378712361 /nfs/dbraw/zinc/71/23/61/378712361.db2.gz OUGVTNIUTHIRHE-RXMQYKEDSA-N 0 0 287.284 1.945 10 10 CDCERN Oc1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)O3)OCO2 ZINC000097996619 391244790 /nfs/dbraw/zinc/24/47/90/391244790.db2.gz RFAQOJMZGDWQHN-PHIMTYICSA-N 0 0 263.293 1.484 10 10 CDCERN O=c1c2c(O)cc(O)cc2oc2ccc(O)c(O)c21 ZINC000006093875 170175665 /nfs/dbraw/zinc/17/56/65/170175665.db2.gz RVOUOPDWADMVBA-UHFFFAOYSA-N 0 0 260.201 1.769 10 10 biogenic,in-vitro CDCERN Nc1ccc(CS(=O)(=O)N2CCSCC2)cc1 ZINC000019986463 170961106 /nfs/dbraw/zinc/96/11/06/170961106.db2.gz MWSSSXFSYPTHID-UHFFFAOYSA-N 0 0 272.395 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CDCERN O=C(COc1ccsn1)NCCc1ccc(O)c(O)c1 ZINC001137464911 936603711 /nfs/dbraw/zinc/60/37/11/936603711.db2.gz VRZHIOJQAPQMGM-UHFFFAOYSA-N 0 0 294.332 1.292 10 10 CDCERN C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](CO)O1 ZINC000835051301 936715680 /nfs/dbraw/zinc/71/56/80/936715680.db2.gz YVKBPWWMWIOOLK-AYUWKEHRSA-N 0 0 290.407 1.847 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCOC2)cc1 ZINC001141714240 936928314 /nfs/dbraw/zinc/92/83/14/936928314.db2.gz OUNVJQNNDZAPKE-NSHDSACASA-N 0 0 276.296 1.758 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)Nc2ncccc2CO)cc1 ZINC001169361860 927970604 /nfs/dbraw/zinc/97/06/04/927970604.db2.gz SXVGUIWMJNAQNB-UHFFFAOYSA-N 0 0 299.290 1.989 10 10 CDCERN CN(Cc1ccccc1O)C(=O)c1cn2c(n1)COCC2 ZINC000860047515 929107213 /nfs/dbraw/zinc/10/72/13/929107213.db2.gz FXLRUOAVXUHVSX-UHFFFAOYSA-N 0 0 287.319 1.391 10 10 CDCERN C[C@H](O)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001457730637 932609983 /nfs/dbraw/zinc/60/99/83/932609983.db2.gz OTYWPJYNTVXZPR-JGVFFNPUSA-N 0 0 269.272 1.080 10 10 CDCERN CO[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000190914873 941370645 /nfs/dbraw/zinc/37/06/45/941370645.db2.gz ZNNRHXQBMCULOT-JQWIXIFHSA-N 0 0 266.297 1.958 10 10 CDCERN CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)O ZINC001568995600 1169584341 /nfs/dbraw/zinc/58/43/41/1169584341.db2.gz WYUQYYRPDZAONV-LDYMZIIASA-N 0 0 278.312 1.738 10 10 CDCERN CO[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC001293951208 954439469 /nfs/dbraw/zinc/43/94/69/954439469.db2.gz YCLCUHDGMKLTPC-CYBMUJFWSA-N 0 0 281.352 1.818 10 10 CDCERN COC[C@](C)(O)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001326601120 954449617 /nfs/dbraw/zinc/44/96/17/954449617.db2.gz AMLZECGHELIWCQ-CSPWOOARSA-N 0 0 295.335 1.015 10 10 CDCERN CN(Cc1ccccc1O)C(=O)c1ccnc2ccnn21 ZINC001294679975 954535191 /nfs/dbraw/zinc/53/51/91/954535191.db2.gz SZDKJDARVDJFKI-UHFFFAOYSA-N 0 0 282.303 1.707 10 10 CDCERN C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1O ZINC001295172216 954622606 /nfs/dbraw/zinc/62/26/06/954622606.db2.gz 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/nfs/dbraw/zinc/01/88/38/965018838.db2.gz LVTNZEVAMHKGDB-UHFFFAOYSA-N 0 0 259.229 1.219 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccns1 ZINC001557521947 965182958 /nfs/dbraw/zinc/18/29/58/965182958.db2.gz PEKPSOXGCHWUAW-UHFFFAOYSA-N 0 0 264.306 1.413 10 10 CDCERN Cc1noc(C)c1CCC(=O)NCc1cc(O)ccc1O ZINC001558174739 965242372 /nfs/dbraw/zinc/24/23/72/965242372.db2.gz SSJXUWPPADETNK-UHFFFAOYSA-N 0 0 290.319 1.952 10 10 CDCERN Cc1cnc2cc(C(=O)NCc3cc(O)ccc3O)ccn12 ZINC001558175583 965246047 /nfs/dbraw/zinc/24/60/47/965246047.db2.gz WNULALYRSOYMFL-UHFFFAOYSA-N 0 0 297.314 1.984 10 10 CDCERN COCCC(C)(C)C(=O)NCc1cccc(O)c1O ZINC001347541278 965579296 /nfs/dbraw/zinc/57/92/96/965579296.db2.gz FEXTZHPXEMDPLB-UHFFFAOYSA-N 0 0 267.325 1.777 10 10 CDCERN CNc1cnc(C(=O)NCc2ccccc2O)cn1 ZINC001445972994 966404568 /nfs/dbraw/zinc/40/45/68/966404568.db2.gz UZAOUXWXYNKMOB-UHFFFAOYSA-N 0 0 258.281 1.154 10 10 CDCERN COc1ccc(O)c([C@H](C)NC(=O)c2ns[nH]c2=O)c1 ZINC001445971694 966405722 /nfs/dbraw/zinc/40/57/22/966405722.db2.gz XNRRVNHJEWTZBX-LURJTMIESA-N 0 0 295.320 1.449 10 10 CDCERN CNC(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001446190102 966479351 /nfs/dbraw/zinc/47/93/51/966479351.db2.gz AMMSGFIGXRNCKB-LURJTMIESA-N 0 0 294.332 1.177 10 10 CDCERN Cc1nc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)no1 ZINC001446380215 966528803 /nfs/dbraw/zinc/52/88/03/966528803.db2.gz GVEZXBWEYUUIAI-SSDOTTSWSA-N 0 0 277.280 1.209 10 10 CDCERN C[C@H](O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001539468012 967097592 /nfs/dbraw/zinc/09/75/92/967097592.db2.gz IKBMOGPFVRLUPC-LBPRGKRZSA-N 0 0 262.353 1.626 10 10 CDCERN CC[C@H](COC)NC(=O)Cc1ccc(O)c(O)c1 ZINC001544466739 967360764 /nfs/dbraw/zinc/36/07/64/967360764.db2.gz YXIRFZQMJJHFHX-SNVBAGLBSA-N 0 0 253.298 1.182 10 10 CDCERN Cc1nnccc1C(=O)NCc1ccc2cccnc2c1O ZINC001451952324 968035570 /nfs/dbraw/zinc/03/55/70/968035570.db2.gz HZRYEOFNMYNXHO-UHFFFAOYSA-N 0 0 294.314 1.969 10 10 CDCERN O=C(/C=C\[C@H]1CCCO1)NCc1cc(O)ccc1O ZINC001455354401 968688468 /nfs/dbraw/zinc/68/84/68/968688468.db2.gz MXLNVMMPQBUJCH-TXNVCOODSA-N 0 0 263.293 1.449 10 10 CDCERN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1C ZINC001455355544 968691520 /nfs/dbraw/zinc/69/15/20/968691520.db2.gz CHQRHUIFKBOHGI-UHFFFAOYSA-N 0 0 275.308 1.324 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1ccc2nncn2c1 ZINC001456093801 968864127 /nfs/dbraw/zinc/86/41/27/968864127.db2.gz OGXZTBOYXXHSPV-UHFFFAOYSA-N 0 0 286.266 1.504 10 10 CDCERN CC(C)[C@@H](O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001465221935 969856034 /nfs/dbraw/zinc/85/60/34/969856034.db2.gz FFGASZIYIRVMST-RNZFLTOJSA-N 0 0 279.336 1.634 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCCOC1CCC1 ZINC001465533075 969881640 /nfs/dbraw/zinc/88/16/40/969881640.db2.gz YCUUOPRNHYNPFO-UHFFFAOYSA-N 0 0 265.309 1.326 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(F)cn1 ZINC001465789638 969896471 /nfs/dbraw/zinc/89/64/71/969896471.db2.gz XBQUHHQQHLTIFR-UHFFFAOYSA-N 0 0 276.267 1.491 10 10 CDCERN C[C@H](CC(N)=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001467259872 970036087 /nfs/dbraw/zinc/03/60/87/970036087.db2.gz OBIYZXYXOAHIBU-MNOVXSKESA-N 0 0 277.368 1.441 10 10 CDCERN CCO[C@H](C(=O)NCc1cccc(O)c1O)C(C)C ZINC001521852524 970366341 /nfs/dbraw/zinc/36/63/41/970366341.db2.gz WTMBCUFELBUKMJ-ZDUSSCGKSA-N 0 0 267.325 1.775 10 10 CDCERN CC(C)COCCC(=O)NCc1cccc(O)c1O ZINC001521851643 970367497 /nfs/dbraw/zinc/36/74/97/970367497.db2.gz OPVKKQFOBPVIIQ-UHFFFAOYSA-N 0 0 267.325 1.777 10 10 CDCERN O=C(NC[C@H](O)Cc1ccccc1F)C1=CC(=O)CS1 ZINC001471897108 970511873 /nfs/dbraw/zinc/51/18/73/970511873.db2.gz DHNSHLSGDIBAKC-SNVBAGLBSA-N 0 0 295.335 1.926 10 10 CDCERN Cc1cc(NC(=O)c2c(F)ccc(O)c2O)c[nH]c1=O ZINC001654460583 1171614518 /nfs/dbraw/zinc/61/45/18/1171614518.db2.gz CQTFSDZVGDPCQC-UHFFFAOYSA-N 0 0 278.239 1.898 10 10 CDCERN COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000082699032 178199814 /nfs/dbraw/zinc/19/98/14/178199814.db2.gz AORJBJKIJDQASG-GFCCVEGCSA-N 0 0 276.336 1.223 10 10 CDCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1 ZINC000075507278 342311247 /nfs/dbraw/zinc/31/12/47/342311247.db2.gz CXZIMKJCHYIPNY-DZGCQCFKSA-N 0 0 291.395 1.713 10 10 CDCERN CS(=O)(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O ZINC000112991082 349241158 /nfs/dbraw/zinc/24/11/58/349241158.db2.gz AVSDGKZZYOPAEV-UHFFFAOYSA-N 0 0 276.269 1.459 10 10 CDCERN C[N@H+](CCC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000293774754 370791389 /nfs/dbraw/zinc/79/13/89/370791389.db2.gz BJWXRZBFOAQZFS-UHFFFAOYSA-N 0 0 260.696 1.492 10 10 CDCERN COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(C)c(C)cc1O ZINC000245710666 376145480 /nfs/dbraw/zinc/14/54/80/376145480.db2.gz FVPIWJORDPLEDI-KGLIPLIRSA-N 0 0 293.363 1.771 10 10 CDCERN Cc1ccc(C(=O)NCCCN2CCCC2=O)c(O)c1O ZINC000179382194 391203818 /nfs/dbraw/zinc/20/38/18/391203818.db2.gz KEUJUSSYZXVWGE-UHFFFAOYSA-N 0 0 292.335 1.149 10 10 CDCERN Cc1ccc(C(=O)N(C)C[C@H]2CCCO2)c(O)c1O ZINC000179473128 391207256 /nfs/dbraw/zinc/20/72/56/391207256.db2.gz CVFLNWGFYNSKOY-SNVBAGLBSA-N 0 0 265.309 1.657 10 10 CDCERN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c(O)c1 ZINC000527957267 393005051 /nfs/dbraw/zinc/00/50/51/393005051.db2.gz QWNSOPSXNWLWPO-CQDKDKBSSA-N 0 0 265.353 1.891 10 10 CDCERN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 ZINC001588269523 1173018592 /nfs/dbraw/zinc/01/85/92/1173018592.db2.gz OMGUQGLOIVIRRA-UHFFFAOYSA-N 0 0 258.277 1.982 10 10 CDCERN COc1c(CO)c(O)cc2c1C(=O)c1ccccc1C2=O ZINC000005037432 170059204 /nfs/dbraw/zinc/05/92/04/170059204.db2.gz ASFZQCLAQPBWDN-UHFFFAOYSA-N 0 0 284.267 1.669 10 10 biogenic,in-vitro CDCERN CCOC(=O)CCS(=O)(=O)Nc1ccc(O)cc1 ZINC000042538190 174784649 /nfs/dbraw/zinc/78/46/49/174784649.db2.gz ONFZEVUJLGMDME-UHFFFAOYSA-N 0 0 273.310 1.087 10 10 CDCERN C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000184307857 262015715 /nfs/dbraw/zinc/01/57/15/262015715.db2.gz FGGVUUGHHJPTMY-SMDDNHRTSA-N 0 0 298.408 1.349 10 10 CDCERN [NH3+][C@@H](CO)c1c([O-])c(F)c(F)cc1Br ZINC000072199433 295295341 /nfs/dbraw/zinc/29/53/41/295295341.db2.gz BYZFAASVZQLZED-YFKPBYRVSA-N 0 0 268.057 1.425 10 10 CDCERN C[C@@H]1CCCN(S(=O)(=O)NCCc2ccc(N)cc2)C1 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/nfs/dbraw/zinc/28/50/07/362285007.db2.gz IXPZCRBPAXWFDY-MRVPVSSYSA-N 0 0 263.110 1.642 10 10 CDCERN OC[C@H]1O[C@H](OC2=CC=CCC2=S)CC[C@@H]1O ZINC000584643225 346512636 /nfs/dbraw/zinc/51/26/36/346512636.db2.gz JBMMIEMJLZZQDU-XRNSZHNASA-N 0 0 256.323 1.075 10 10 CDCERN [NH3+][C@@H](CO)c1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000072199533 356651733 /nfs/dbraw/zinc/65/17/33/356651733.db2.gz IIBSYWOUVWAVIG-ZETCQYMHSA-N 0 0 277.074 1.055 10 10 CDCERN O=C(Nc1nnc(C2CCC2)[nH]1)c1cccc(O)c1O ZINC000193163135 358270972 /nfs/dbraw/zinc/27/09/72/358270972.db2.gz IMYOZXMWFFAUHS-UHFFFAOYSA-N 0 0 274.280 1.736 10 10 CDCERN CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccccc1O ZINC000295029168 371120335 /nfs/dbraw/zinc/12/03/35/371120335.db2.gz IDDNYAMLKIZOBX-RISCZKNCSA-N 0 0 279.336 1.450 10 10 CDCERN C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]1C ZINC000293865933 378600149 /nfs/dbraw/zinc/60/01/49/378600149.db2.gz AOGWDQKEMAFSFY-RKDXNWHRSA-N 0 0 298.364 1.244 10 10 CDCERN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c(O)c1C ZINC000296307033 378725242 /nfs/dbraw/zinc/72/52/42/378725242.db2.gz GETBNALZVNFTEC-YPMHNXCESA-N 0 0 262.353 1.938 10 10 CDCERN Cc1ccc(C(=O)N2C[C@H](O)C3(CC3)C2)c(O)c1O ZINC000364446011 391365225 /nfs/dbraw/zinc/36/52/25/391365225.db2.gz DGWAOJVYFLEGID-JTQLQIEISA-N 0 0 263.293 1.003 10 10 CDCERN Nc1ccc(N2C(=O)CCC2=O)cc1C(F)(F)F ZINC000021953822 171340508 /nfs/dbraw/zinc/34/05/08/171340508.db2.gz LKPNIQJDQHQGOD-UHFFFAOYSA-N 0 0 258.199 1.941 10 10 CDCERN CC[C@H](C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000035320220 172123429 /nfs/dbraw/zinc/12/34/29/172123429.db2.gz WUJDXIAOHXZFIF-UWVGGRQHSA-N 0 0 284.381 1.809 10 10 CDCERN Cc1c(C(=O)N(C)Cc2ccc(N)cc2)cnn1C ZINC000035360077 172150875 /nfs/dbraw/zinc/15/08/75/172150875.db2.gz LQWXOBXZFUQYBR-UHFFFAOYSA-N 0 0 258.325 1.583 10 10 CDCERN O=C(N[C@H]1COc2ccccc21)c1cccc(O)c1O ZINC000126432171 260351634 /nfs/dbraw/zinc/35/16/34/260351634.db2.gz PAFGAVCUIHYQMP-NSHDSACASA-N 0 0 271.272 1.961 10 10 CDCERN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(F)cc1[O-] ZINC000185993665 262075104 /nfs/dbraw/zinc/07/51/04/262075104.db2.gz FDILDWZXXAGGIC-GXSJLCMTSA-N 0 0 276.315 1.788 10 10 CDCERN CC(C)C[C@@H](CO)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000186656548 262104380 /nfs/dbraw/zinc/10/43/80/262104380.db2.gz KWHBOHRCWYNMDU-IYNGYCSASA-N 0 0 293.363 1.976 10 10 CDCERN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273366794 277632255 /nfs/dbraw/zinc/63/22/55/277632255.db2.gz BQFMKVIRIGXUNN-ZJUUUORDSA-N 0 0 293.323 1.572 10 10 CDCERN Cc1nc2c([O-])c(C[NH+]3CCCCC3)ccc2c(=O)n1C ZINC000039124458 302646915 /nfs/dbraw/zinc/64/69/15/302646915.db2.gz IEGWQBBZMBSDLJ-UHFFFAOYSA-N 0 0 287.363 1.933 10 10 CDCERN CC(=O)c1cc(F)cc(CN2CCCNC(=O)[C@H]2C)c1O ZINC000189295480 329379163 /nfs/dbraw/zinc/37/91/63/329379163.db2.gz IELNKMWZJAJUBM-SECBINFHSA-N 0 0 294.326 1.444 10 10 CDCERN CCn1ncc(CNCc2c(O)cccc2Cl)n1 ZINC000527734079 330278545 /nfs/dbraw/zinc/27/85/45/330278545.db2.gz KEVUMJUAEOEVLG-UHFFFAOYSA-N 0 0 266.732 1.947 10 10 CDCERN CN(C)c1ccc(CN2C(=O)N[C@H](CF)C2=O)cc1 ZINC000287698429 522176889 /nfs/dbraw/zinc/17/68/89/522176889.db2.gz MSHSHVDBWVUGAO-LLVKDONJSA-N 0 0 265.288 1.143 10 10 CDCERN CN(C)c1ccc2c(c1)OCCN2CC(=O)NC(C)(C)C ZINC000130436765 522255189 /nfs/dbraw/zinc/25/51/89/522255189.db2.gz NSNIGFRIVYEVIU-UHFFFAOYSA-N 0 0 291.395 1.866 10 10 CDCERN C[S@](=O)C1(C[NH2+]Cc2cccc(F)c2[O-])CCC1 ZINC000280611313 525381936 /nfs/dbraw/zinc/38/19/36/525381936.db2.gz AIWFBLHLAFVFIS-SFHVURJKSA-N 0 0 271.357 1.922 10 10 CDCERN COc1cccc(CNC(=O)Cn2nc(C)cc2C)c1O ZINC000105652548 525978935 /nfs/dbraw/zinc/97/89/35/525978935.db2.gz LWUSFFQDRMEJPL-UHFFFAOYSA-N 0 0 289.335 1.531 10 10 CDCERN Cn1ncc(C[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000289939591 527569263 /nfs/dbraw/zinc/56/92/63/527569263.db2.gz BAXWMZSNZZUCMF-UHFFFAOYSA-N 0 0 297.156 1.573 10 10 CDCERN COc1ccccc1[C@@H](O)CNC(=O)C1=CC(=O)CS1 ZINC000732271392 575085324 /nfs/dbraw/zinc/08/53/24/575085324.db2.gz UWMRBMBNNYBFFD-NSHDSACASA-N 0 0 293.344 1.926 10 10 CDCERN O=[N+]([O-])c1cnc2ccc(NCc3ccccc3O)nn21 ZINC000774523741 575211754 /nfs/dbraw/zinc/21/17/54/575211754.db2.gz JUZXIUJDEQAVFM-UHFFFAOYSA-N 0 0 285.263 1.955 10 10 CDCERN CCn1nccc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000769866034 575392691 /nfs/dbraw/zinc/39/26/91/575392691.db2.gz RTASWHFOUCMYFG-UHFFFAOYSA-N 0 0 285.300 1.549 10 10 CDCERN O=C(NC[C@@H](O)c1ccccn1)C1=CC(=O)CS1 ZINC000764969729 575969170 /nfs/dbraw/zinc/96/91/70/575969170.db2.gz GSDKHICLOKRFNI-SNVBAGLBSA-N 0 0 264.306 1.312 10 10 CDCERN CCOc1ccc(O)c(CN2CC(=O)N(C)C2)c1 ZINC000765640058 576047520 /nfs/dbraw/zinc/04/75/20/576047520.db2.gz DBJUWFIFZPCCMJ-UHFFFAOYSA-N 0 0 250.298 1.022 10 10 CDCERN CN(C)c1ccc(CN2CCN(C3CC3)C(=O)C2)cc1F ZINC000769425766 576353507 /nfs/dbraw/zinc/35/35/07/576353507.db2.gz KRNZXFQFOKUWRG-UHFFFAOYSA-N 0 0 291.370 1.698 10 10 CDCERN O=C(NCc1noc(C2CC2)n1)NCc1ccccc1O ZINC000763553801 576741793 /nfs/dbraw/zinc/74/17/93/576741793.db2.gz KKXIJFQPLMQYDY-UHFFFAOYSA-N 0 0 288.307 1.652 10 10 CDCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000756779764 577004006 /nfs/dbraw/zinc/00/40/06/577004006.db2.gz VFSTUFPASMJTKP-JTQLQIEISA-N 0 0 289.335 1.763 10 10 CDCERN CC1(C)CCC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737731498 617621355 /nfs/dbraw/zinc/62/13/55/617621355.db2.gz QEHUWVVUMKRJMC-UHFFFAOYSA-N 0 0 290.323 1.508 10 10 CDCERN CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@](O)(C(=O)[O-])C2)cc1 ZINC000901900314 618350044 /nfs/dbraw/zinc/35/00/44/618350044.db2.gz FUIFPXDVCYTPNJ-MJSXRHKHSA-N 0 0 290.363 1.287 10 10 CDCERN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000894868834 619111088 /nfs/dbraw/zinc/11/10/88/619111088.db2.gz ITZPZGMKVAYRCO-KBPBESRZSA-N 0 0 298.333 1.575 10 10 CDCERN COC(=O)[C@@](C)(CO)NC/C=C/c1ccc(N(C)C)cc1 ZINC000894971840 619168530 /nfs/dbraw/zinc/16/85/30/619168530.db2.gz ISRRWYZNTVRLGY-SQRWCISFSA-N 0 0 292.379 1.279 10 10 CDCERN C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 ZINC000928540726 619322786 /nfs/dbraw/zinc/32/27/86/619322786.db2.gz 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O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC12CC2 ZINC000817522810 694854473 /nfs/dbraw/zinc/85/44/73/694854473.db2.gz APDXFSJPTZDOPS-OAHLLOKOSA-N 0 0 286.375 1.940 10 10 CDCERN C[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1ccccc1O ZINC000864424741 694878640 /nfs/dbraw/zinc/87/86/40/694878640.db2.gz OLFMTSIBQAJEHH-JQWIXIFHSA-N 0 0 291.351 1.421 10 10 CDCERN CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCOC1 ZINC000850344440 694887251 /nfs/dbraw/zinc/88/72/51/694887251.db2.gz IPJHNNVXQIJNIJ-YGRLFVJLSA-N 0 0 296.323 1.442 10 10 CDCERN O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(O)c(O)c1 ZINC000819398520 695043621 /nfs/dbraw/zinc/04/36/21/695043621.db2.gz MQTLLPQIQANDDZ-QZPNVGJNSA-N 0 0 263.293 1.449 10 10 CDCERN O=C(c1cn(C2CC2)nn1)N1Cc2cccc(O)c2C1 ZINC000871208066 695111916 /nfs/dbraw/zinc/11/19/16/695111916.db2.gz XUUYBDFXZGDCPW-UHFFFAOYSA-N 0 0 270.292 1.475 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1C1CC1 ZINC001606918968 1164030937 /nfs/dbraw/zinc/03/09/37/1164030937.db2.gz FWAMVLAEJVBVAZ-UHFFFAOYSA-N 0 0 273.292 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CDCERN CC1(O)CC(C(=O)NCCCSc2nccs2)C1 ZINC000823297601 723283992 /nfs/dbraw/zinc/28/39/92/723283992.db2.gz DRLAUZOKUVLCIU-UHFFFAOYSA-N 0 0 286.422 1.903 10 10 CDCERN COc1cccc(CNC(=O)C2=COCCC2)c1O ZINC000107766994 723342090 /nfs/dbraw/zinc/34/20/90/723342090.db2.gz ZFUZFNJBIIEXMK-UHFFFAOYSA-N 0 0 263.293 1.711 10 10 CDCERN CN1CCN(Cc2cc3c(cc2O)CCC3)CC1=O ZINC000844729450 723363362 /nfs/dbraw/zinc/36/33/62/723363362.db2.gz GLJFCCISAVROGC-UHFFFAOYSA-N 0 0 260.337 1.155 10 10 CDCERN CCN1CC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000712614471 723445751 /nfs/dbraw/zinc/44/57/51/723445751.db2.gz MFDLNHLAWFZNLU-LLVKDONJSA-N 0 0 256.296 1.854 10 10 CDCERN CCN(OC)C(=O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000842768660 723532155 /nfs/dbraw/zinc/53/21/55/723532155.db2.gz CXBYQYNKEHSYCT-SREVYHEPSA-N 0 0 291.395 1.765 10 10 CDCERN O=C(N[C@@H]1CCc2[nH]cnc2C1)c1c(F)ccc(O)c1O ZINC000827124008 723542694 /nfs/dbraw/zinc/54/26/94/723542694.db2.gz HTLZSPZYDBGMKO-SSDOTTSWSA-N 0 0 291.282 1.247 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)c2nccc(C)n2)c1 ZINC000792237789 723604556 /nfs/dbraw/zinc/60/45/56/723604556.db2.gz JCUUICFYOGGMJL-SNVBAGLBSA-N 0 0 287.319 1.990 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccoc1C(F)(F)F ZINC000811440360 723660128 /nfs/dbraw/zinc/66/01/28/723660128.db2.gz YZVSYZLXHJPGRW-UHFFFAOYSA-N 0 0 264.155 1.613 10 10 CDCERN Cc1ccc(C(=O)N[C@H]2CCn3cncc32)c(O)c1O ZINC000857981730 723671613 /nfs/dbraw/zinc/67/16/13/723671613.db2.gz BBPLIOXAFVUIAK-JTQLQIEISA-N 0 0 273.292 1.478 10 10 CDCERN Nc1ccc(CCNC(=O)NCCO[C@@H]2CC2(F)F)cc1 ZINC000851663000 723680193 /nfs/dbraw/zinc/68/01/93/723680193.db2.gz QGYWBNDKBMTQKL-GFCCVEGCSA-N 0 0 299.321 1.535 10 10 CDCERN Cc1ccc(C(=O)NC[C@H]2CCOC2(C)C)c(O)c1O ZINC000856262517 723680295 /nfs/dbraw/zinc/68/02/95/723680295.db2.gz VAGWXMYRKBAMRI-SNVBAGLBSA-N 0 0 279.336 1.951 10 10 CDCERN CC(C)[C@H](NC=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000871206998 723685215 /nfs/dbraw/zinc/68/52/15/723685215.db2.gz HQWVPKZBGRLFCE-ZDUSSCGKSA-N 0 0 262.309 1.005 10 10 CDCERN COC[C@H]1C(=O)N[C@@H](c2cc(Cl)cc(F)c2[O-])N1C ZINC000840830295 723687400 /nfs/dbraw/zinc/68/74/00/723687400.db2.gz CCMGXKHNFXJFFE-GXSJLCMTSA-N 0 0 288.706 1.260 10 10 CDCERN CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C1=CC(=O)CS1 ZINC000854947864 723065331 /nfs/dbraw/zinc/06/53/31/723065331.db2.gz HCDPLDQCXWGDRL-SECBINFHSA-N 0 0 282.365 1.583 10 10 CDCERN CO[C@@H](C(=O)NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000866756240 723256006 /nfs/dbraw/zinc/25/60/06/723256006.db2.gz UMQKDTTYENCZRM-LBPRGKRZSA-N 0 0 295.335 1.365 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1CCOc2ccccc21 ZINC000808514062 723291640 /nfs/dbraw/zinc/29/16/40/723291640.db2.gz TUKUIZGNRLKWTO-LLVKDONJSA-N 0 0 262.261 1.254 10 10 CDCERN COc1ccc(CNC(=O)N[C@H](C)C(OC)OC)c(O)c1 ZINC000923656417 723391562 /nfs/dbraw/zinc/39/15/62/723391562.db2.gz SBMSKCFAJHCIRT-SECBINFHSA-N 0 0 298.339 1.207 10 10 CDCERN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CC(N)=O ZINC001623550213 1165777820 /nfs/dbraw/zinc/77/78/20/1165777820.db2.gz UXPWKHJCHHJLNB-UHFFFAOYSA-N 0 0 275.352 1.121 10 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CDCERN O=C(NCc1cc(O)ccc1O)C1CCSCC1 ZINC001558174966 965245252 /nfs/dbraw/zinc/24/52/52/965245252.db2.gz VYRRSYRKKIUXRV-UHFFFAOYSA-N 0 0 267.350 1.857 10 10 CDCERN Cc1nn(C)c(NCc2c(O)cccc2O)c1[N+](=O)[O-] ZINC001559288142 965428705 /nfs/dbraw/zinc/42/87/05/965428705.db2.gz QQTJGOORDNOPMJ-UHFFFAOYSA-N 0 0 278.268 1.660 10 10 CDCERN Cc1ncc(C(=O)NCc2ccc(O)c(O)c2)n1C ZINC001445904761 966382043 /nfs/dbraw/zinc/38/20/43/966382043.db2.gz YLXVQIISVYDXKD-UHFFFAOYSA-N 0 0 261.281 1.070 10 10 CDCERN Cn1cnc2ccc(C(=O)NCc3ccccc3O)nc21 ZINC001445967165 966402578 /nfs/dbraw/zinc/40/25/78/966402578.db2.gz AWRWJJCWQICSLC-UHFFFAOYSA-N 0 0 282.303 1.604 10 10 CDCERN CCC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 ZINC001300255470 967876263 /nfs/dbraw/zinc/87/62/63/967876263.db2.gz GLDVXNYENBYFES-ZYHUDNBSSA-N 0 0 281.352 1.554 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cnn2c1CCCC2 ZINC001455355541 968690786 /nfs/dbraw/zinc/69/07/86/968690786.db2.gz CAQUTPZYBMJVEN-UHFFFAOYSA-N 0 0 287.319 1.561 10 10 CDCERN Cc1ncccc1CCNC(=O)c1cccc(O)c1O ZINC001456921121 969078424 /nfs/dbraw/zinc/07/84/24/969078424.db2.gz ZVXSRDKBCYOMMC-UHFFFAOYSA-N 0 0 272.304 1.774 10 10 CDCERN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ncc[nH]1 ZINC001457810903 969223127 /nfs/dbraw/zinc/22/31/27/969223127.db2.gz AEEFLKUYDNKRTD-LURJTMIESA-N 0 0 265.244 1.451 10 10 CDCERN COC(=O)c1ccnc(N(C)Cc2ccccc2O)n1 ZINC001458264251 969276765 /nfs/dbraw/zinc/27/67/65/969276765.db2.gz SLIZGANQVYMSJS-UHFFFAOYSA-N 0 0 273.292 1.605 10 10 CDCERN C[C@H](C(=O)NCc1ccc(O)c(O)c1)c1cnccn1 ZINC001465955620 969908510 /nfs/dbraw/zinc/90/85/10/969908510.db2.gz ZQZRKYHAZKDKEL-VIFPVBQESA-N 0 0 273.292 1.308 10 10 CDCERN C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1O ZINC001466511250 969965459 /nfs/dbraw/zinc/96/54/59/969965459.db2.gz ZRUIUMATNLRPOB-JOYOIKCWSA-N 0 0 290.323 1.692 10 10 CDCERN Cc1nn2cccnc2c1C(=O)NCc1cc(C)ccc1O ZINC001470255517 970305131 /nfs/dbraw/zinc/30/51/31/970305131.db2.gz XIPVQUAVSWHINX-UHFFFAOYSA-N 0 0 296.330 1.982 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCC[C@H](O)C1CCCC1 ZINC001471295569 970408750 /nfs/dbraw/zinc/40/87/50/970408750.db2.gz LVMAPHFMTQCOPW-ZDUSSCGKSA-N 0 0 293.363 1.698 10 10 CDCERN CN(C)Cc1nc(CNC(=O)C2=CC(=O)CS2)co1 ZINC001522327003 970421732 /nfs/dbraw/zinc/42/17/32/970421732.db2.gz JXFKSNCOYRAQKB-UHFFFAOYSA-N 0 0 281.337 1.433 10 10 CDCERN COc1c([O-])c(C[NH2+][C@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000811515704 1163492236 /nfs/dbraw/zinc/49/22/36/1163492236.db2.gz DROVARVIZQLQQP-CQSZACIVSA-N 0 0 298.339 1.806 10 10 CDCERN COc1nscc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001593909754 1174175231 /nfs/dbraw/zinc/17/52/31/1174175231.db2.gz LJMMGYUTJBSVHN-UHFFFAOYSA-N 0 0 280.305 1.744 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1ccsn1 ZINC001651225691 1171305173 /nfs/dbraw/zinc/30/51/73/1171305173.db2.gz ULJOJTCEHDETRJ-UHFFFAOYSA-N 0 0 250.279 1.484 10 10 CDCERN C[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000077800323 342332383 /nfs/dbraw/zinc/33/23/83/342332383.db2.gz SBTXLATUASQMDI-QWRGUYRKSA-N 0 0 297.374 1.708 10 10 CDCERN O=S1(=O)CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294777164 199178657 /nfs/dbraw/zinc/17/86/57/199178657.db2.gz BLRFUSMQEJWPJA-QMMMGPOBSA-N 0 0 293.747 1.461 10 10 CDCERN O=C1NCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124754587 360396063 /nfs/dbraw/zinc/39/60/63/360396063.db2.gz BYLZZHASSQZEDP-JTQLQIEISA-N 0 0 254.717 1.414 10 10 CDCERN COC[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000272341001 365196962 /nfs/dbraw/zinc/19/69/62/365196962.db2.gz YSMDVIAJIVBBHB-LLVKDONJSA-N 0 0 255.289 1.379 10 10 CDCERN Cc1cc(CS(=O)(=O)N(C)Cc2ccccc2O)no1 ZINC000265755846 370906952 /nfs/dbraw/zinc/90/69/52/370906952.db2.gz GIAPDUBZZMMSHA-UHFFFAOYSA-N 0 0 296.348 1.650 10 10 CDCERN CCn1nc(C)c(CNCc2ccc(N(C)C)cc2)n1 ZINC000294699339 371085446 /nfs/dbraw/zinc/08/54/46/371085446.db2.gz GLYVHOIIWLYHAH-UHFFFAOYSA-N 0 0 273.384 1.962 10 10 CDCERN COC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000295251397 378676022 /nfs/dbraw/zinc/67/60/22/378676022.db2.gz MTVNFKXKKJDXSU-QMMMGPOBSA-N 0 0 297.282 1.262 10 10 CDCERN COC[C@@H](O)CN(C)c1ccc(OC)cc1OC ZINC000179003822 391194500 /nfs/dbraw/zinc/19/45/00/391194500.db2.gz BIQWGOOQIFMUIM-JTQLQIEISA-N 0 0 255.314 1.147 10 10 CDCERN Oc1cccc2c1[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)CC2 ZINC000527956861 393005732 /nfs/dbraw/zinc/00/57/32/393005732.db2.gz YBVWWCVTSVDBQU-XBFCOCLRSA-N 0 0 263.337 1.509 10 10 CDCERN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccccc1O ZINC000527958857 393005842 /nfs/dbraw/zinc/00/58/42/393005842.db2.gz XEMVCNNGJPTKTN-NWANDNLSSA-N 0 0 265.353 1.973 10 10 CDCERN CCCOc1cc(N2CCN(C)C(=O)C2)ccc1N ZINC000084197782 135032501 /nfs/dbraw/zinc/03/25/01/135032501.db2.gz MFTCNCOLPZPQGP-UHFFFAOYSA-N 0 0 263.341 1.336 10 10 CDCERN O=C1c2cccc(O)c2C(=O)c2c(O)ccc(CO)c21 ZINC000006093810 170175465 /nfs/dbraw/zinc/17/54/65/170175465.db2.gz WLOAMJAMSFVOOZ-UHFFFAOYSA-N 0 0 270.240 1.366 10 10 biogenic,in-vitro CDCERN Nc1ccc(CCC(=O)N2CCSCC2)cc1 ZINC000038051658 174063405 /nfs/dbraw/zinc/06/34/05/174063405.db2.gz DRKFAZRGUGDJPP-UHFFFAOYSA-N 0 0 250.367 1.777 10 10 CDCERN C[C@@]1(NC(=S)Nc2ccc(N)cc2)CCS(=O)(=O)C1 ZINC000040166785 174198208 /nfs/dbraw/zinc/19/82/08/174198208.db2.gz UGMGAMMPKTVEBS-GFCCVEGCSA-N 0 0 299.421 1.132 10 10 CDCERN [NH3+][C@H](CO)c1cc(Br)c(Cl)cc1[O-] ZINC000072199420 176340573 /nfs/dbraw/zinc/34/05/73/176340573.db2.gz HQHNZKFQLDGXLA-SSDOTTSWSA-N 0 0 266.522 1.800 10 10 CDCERN NC(=O)C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000367709051 267111923 /nfs/dbraw/zinc/11/19/23/267111923.db2.gz SMHHOMCJJNQKME-VIFPVBQESA-N 0 0 252.289 1.229 10 10 CDCERN Cc1cc(CNC(=O)c2cccc(O)c2O)ccn1 ZINC000391354040 1159121994 /nfs/dbraw/zinc/12/19/94/1159121994.db2.gz IQDHTSJRULAHBQ-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN [O-]c1c(Br)cccc1C[NH2+]CC1COC1 ZINC000527818388 330282867 /nfs/dbraw/zinc/28/28/67/330282867.db2.gz SJZYNNAXTMFMQL-UHFFFAOYSA-N 0 0 272.142 1.891 10 10 CDCERN CN(C)c1ccc(C[NH2+]C2(C(=O)[O-])CCOCC2)cc1 ZINC000789902500 1162115314 /nfs/dbraw/zinc/11/53/14/1162115314.db2.gz PPCQTHZSFOIHQE-UHFFFAOYSA-N 0 0 278.352 1.476 10 10 CDCERN Cc1ccnc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000791551735 1162232835 /nfs/dbraw/zinc/23/28/35/1162232835.db2.gz DJOBMJMYZQZQDR-UHFFFAOYSA-N 0 0 288.326 1.920 10 10 CDCERN COC(=O)[C@H](CF)NCc1cccc(OC)c1O ZINC000290548968 523900600 /nfs/dbraw/zinc/90/06/00/523900600.db2.gz RSDKRDNKZYXNDF-VIFPVBQESA-N 0 0 257.261 1.002 10 10 CDCERN COC(=O)[C@H](Cc1ccc(C)cc1)SCC(=O)C(C)=O ZINC000289573322 523908604 /nfs/dbraw/zinc/90/86/04/523908604.db2.gz ICDSKLTWASLLNX-AWEZNQCLSA-N 0 0 294.372 1.970 10 10 CDCERN C[C@@H](O)CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000265166017 525767738 /nfs/dbraw/zinc/76/77/38/525767738.db2.gz NRPVRXZTVMFJIW-GFCCVEGCSA-N 0 0 291.395 1.639 10 10 CDCERN COc1cccc(CNC(=O)N[C@H](C)[C@H](C)OC)c1O ZINC000291418825 525991007 /nfs/dbraw/zinc/99/10/07/525991007.db2.gz IMWGQAGPEUTBBD-ZJUUUORDSA-N 0 0 282.340 1.623 10 10 CDCERN Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2C)c(O)c1O ZINC000278480140 526214100 /nfs/dbraw/zinc/21/41/00/526214100.db2.gz KLKZKBKBGXDZIT-ONGXEEELSA-N 0 0 265.309 1.561 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCOCC1 ZINC000366017352 526686374 /nfs/dbraw/zinc/68/63/74/526686374.db2.gz QCRHKYOHZHFDLV-LLVKDONJSA-N 0 0 265.309 1.531 10 10 CDCERN Cc1nnc([C@@H](C)NC(=O)NCc2cc(C)ccc2O)o1 ZINC001685737030 1174685559 /nfs/dbraw/zinc/68/55/59/1174685559.db2.gz GTHKYHQTKODPAP-SECBINFHSA-N 0 0 290.323 1.952 10 10 CDCERN CCC(C)(C)NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000731911982 575070277 /nfs/dbraw/zinc/07/02/77/575070277.db2.gz PFCLAPDFBQKAMQ-UHFFFAOYSA-N 0 0 271.338 1.915 10 10 CDCERN COc1ccc(O)c(CNC(=S)NC[C@@H]2CCCO2)c1 ZINC000733905702 575143262 /nfs/dbraw/zinc/14/32/62/575143262.db2.gz FCZBDGYTEBIKMZ-LBPRGKRZSA-N 0 0 296.392 1.544 10 10 CDCERN COc1ccc(N(C)CC(=O)N(C)OC)cc1OC ZINC000774579947 575216466 /nfs/dbraw/zinc/21/64/66/575216466.db2.gz IGNFOIABVRZZHB-UHFFFAOYSA-N 0 0 268.313 1.160 10 10 CDCERN Oc1ccc(F)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000770668267 575483636 /nfs/dbraw/zinc/48/36/36/575483636.db2.gz VWCDEWBUTUSAON-UHFFFAOYSA-N 0 0 277.303 1.604 10 10 CDCERN CNC(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000772299717 575683028 /nfs/dbraw/zinc/68/30/28/575683028.db2.gz XVCOOJLOPPYOFZ-UHFFFAOYSA-N 0 0 291.395 1.626 10 10 CDCERN Cc1cnc(N)c(S(=O)(=O)NCc2ccccc2O)c1 ZINC000766814098 576136690 /nfs/dbraw/zinc/13/66/90/576136690.db2.gz QPPXFVKYGCOGSN-UHFFFAOYSA-N 0 0 293.348 1.156 10 10 CDCERN COC(=O)c1cncnc1NCc1ccc(OC)cc1O ZINC000804682509 617314371 /nfs/dbraw/zinc/31/43/71/617314371.db2.gz PDJSSXWELVPIDZ-UHFFFAOYSA-N 0 0 289.291 1.590 10 10 CDCERN CCOc1ccc(CNCc2cn(C)nn2)c(O)c1 ZINC000782969074 617551534 /nfs/dbraw/zinc/55/15/34/617551534.db2.gz WLTGIVWLLPAORX-UHFFFAOYSA-N 0 0 262.313 1.209 10 10 CDCERN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000840979772 617992764 /nfs/dbraw/zinc/99/27/64/617992764.db2.gz UQUKBDVARLYYST-PWSUYJOCSA-N 0 0 280.324 1.941 10 10 CDCERN CC(=O)N1CC[C@](C)(C(=O)NCc2c(O)cccc2F)C1 ZINC000928705472 620503721 /nfs/dbraw/zinc/50/37/21/620503721.db2.gz KKLXSGYDORWRRH-HNNXBMFYSA-N 0 0 294.326 1.406 10 10 CDCERN C[C@@H]1[C@H](O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897919681 621224892 /nfs/dbraw/zinc/22/48/92/621224892.db2.gz PWTFFMYRMAAVKP-VXNVDRBHSA-N 0 0 293.344 1.908 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899441327 622257402 /nfs/dbraw/zinc/25/74/02/622257402.db2.gz QDJLKSCXRNNQTJ-DGCLKSJQSA-N 0 0 267.350 1.831 10 10 CDCERN C[C@H]1CO[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901133350 623891856 /nfs/dbraw/zinc/89/18/56/623891856.db2.gz WTWTYVSZFXLKEB-PELKAZGASA-N 0 0 251.282 1.139 10 10 CDCERN CCC/C=C\[C@@H](O)C(=O)NCc1ccc(O)c(O)c1 ZINC000901133869 623892328 /nfs/dbraw/zinc/89/23/28/623892328.db2.gz ZGPIAOYWVIBXMR-QMAVJUDZSA-N 0 0 265.309 1.431 10 10 CDCERN O=C1N=C(N2CCOCC2)S/C1=C\c1ccns1 ZINC000901444173 624255205 /nfs/dbraw/zinc/25/52/05/624255205.db2.gz UPIQFGCMOKRGPW-CLFYSBASSA-N 0 0 281.362 1.446 10 10 CDCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c1 ZINC000903300607 625959857 /nfs/dbraw/zinc/95/98/57/625959857.db2.gz IQAPNIHWHRHMAZ-WDMOLILDSA-N 0 0 292.379 1.922 10 10 CDCERN C[C@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)Cc2c[nH]nc21 ZINC000913588354 630678845 /nfs/dbraw/zinc/67/88/45/630678845.db2.gz HKTMPXFWOVUNMS-GFAPAMAISA-N 0 0 299.330 1.980 10 10 CDCERN CO[C@H]1C[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000914407749 631409605 /nfs/dbraw/zinc/40/96/05/631409605.db2.gz VHHLCIWNDMICFL-LSTVRDIWSA-N 0 0 277.320 1.652 10 10 CDCERN CCN(CC)c1ccc(C[NH2+][C@@]2(C(=O)[O-])CCOC2)cc1 ZINC000789903237 1162115088 /nfs/dbraw/zinc/11/50/88/1162115088.db2.gz WBGZZGXFAXFKKM-INIZCTEOSA-N 0 0 292.379 1.866 10 10 CDCERN O=C1NC(=S)S/C1=C\c1cn(C2CC2)cn1 ZINC000865214686 1164620258 /nfs/dbraw/zinc/62/02/58/1164620258.db2.gz VOBKWXCITYFMBO-BAQGIRSFSA-N 0 0 251.336 1.707 10 10 CDCERN Oc1cccc2c1CN(c1ccnc(N3CCOCC3)n1)C2 ZINC000866117227 1164739057 /nfs/dbraw/zinc/73/90/57/1164739057.db2.gz ITZOAWUCNMCGEH-UHFFFAOYSA-N 0 0 298.346 1.539 10 10 CDCERN COC[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCOC1 ZINC000871205605 1165278312 /nfs/dbraw/zinc/27/83/12/1165278312.db2.gz IFAHFADQMIVMCH-OAHLLOKOSA-N 0 0 277.320 1.288 10 10 CDCERN O=C(NCc1ccccc1O)c1cccc2[nH]c(CO)nc21 ZINC001622772816 1165738805 /nfs/dbraw/zinc/73/88/05/1165738805.db2.gz IXGBVGBUCKVBGU-UHFFFAOYSA-N 0 0 297.314 1.691 10 10 CDCERN O=C(Nc1ncc(CCO)s1)c1cccc(O)c1O ZINC001625579607 1165915580 /nfs/dbraw/zinc/91/55/80/1165915580.db2.gz SMWKEIKUMPWBOL-UHFFFAOYSA-N 0 0 280.305 1.341 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H]1C(F)(F)F ZINC001629007562 1166109691 /nfs/dbraw/zinc/10/96/91/1166109691.db2.gz XORSLUYRPGHFRL-SNVBAGLBSA-N 0 0 275.226 1.804 10 10 CDCERN CCc1n[nH]cc1C(=O)NCc1cc(O)ccc1O ZINC001633595274 1166435715 /nfs/dbraw/zinc/43/57/15/1166435715.db2.gz PGAPWSYJEOQAOL-UHFFFAOYSA-N 0 0 261.281 1.313 10 10 CDCERN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[C@H]1O ZINC001633599617 1166436559 /nfs/dbraw/zinc/43/65/59/1166436559.db2.gz HMYBEZHXMIOVHI-BXKDBHETSA-N 0 0 290.323 1.692 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1cccc2c1COC2=O ZINC001638308960 1166838435 /nfs/dbraw/zinc/83/84/35/1166838435.db2.gz LVDKCIIYGIWFDV-UHFFFAOYSA-N 0 0 299.282 1.949 10 10 CDCERN COc1cc(C(=O)NCc2ccc(O)cc2O)ccc1O ZINC001638353015 1166839618 /nfs/dbraw/zinc/83/96/18/1166839618.db2.gz ZAGMETISQDOXBX-UHFFFAOYSA-N 0 0 289.287 1.742 10 10 CDCERN CCc1ocnc1C(=O)NCc1ccc(O)cc1O ZINC001638352624 1166839768 /nfs/dbraw/zinc/83/97/68/1166839768.db2.gz STZLLTHMKADJQP-UHFFFAOYSA-N 0 0 262.265 1.578 10 10 CDCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ncc[nH]1 ZINC001638347130 1166839798 /nfs/dbraw/zinc/83/97/98/1166839798.db2.gz DCLIIEMVVDZJIT-JTQLQIEISA-N 0 0 289.335 1.501 10 10 CDCERN C/C=C/[C@H](O)C(=O)NCc1ccc2cccnc2c1O ZINC001638573117 1166855956 /nfs/dbraw/zinc/85/59/56/1166855956.db2.gz JLXPXPJZTQHPJE-KMOQFTEPSA-N 0 0 272.304 1.494 10 10 CDCERN COC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)[nH]1 ZINC001638863691 1166880540 /nfs/dbraw/zinc/88/05/40/1166880540.db2.gz QCRQNXRHSHHUHE-UHFFFAOYSA-N 0 0 292.266 1.576 10 10 CDCERN CO[C@@]1(C)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001640053238 1166991083 /nfs/dbraw/zinc/99/10/83/1166991083.db2.gz LTONSRWFLBEOQJ-HNNXBMFYSA-N 0 0 279.336 1.668 10 10 CDCERN Cc1ccc(O)c(CNC(=O)/C=C/c2cn(C)cn2)c1 ZINC001640800200 1167051532 /nfs/dbraw/zinc/05/15/32/1167051532.db2.gz HSMFIEFPNUJVEN-GQCTYLIASA-N 0 0 271.320 1.764 10 10 CDCERN Cn1cc(/C=C/C(=O)NCc2cccc(O)c2O)cn1 ZINC001644709004 1167342447 /nfs/dbraw/zinc/34/24/47/1167342447.db2.gz XUHZZHFBXJTCHE-AATRIKPKSA-N 0 0 273.292 1.161 10 10 CDCERN CC1(C)OCC[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001646137981 1167661649 /nfs/dbraw/zinc/66/16/49/1167661649.db2.gz VQSPLMDEGRKYJN-LLVKDONJSA-N 0 0 279.336 1.572 10 10 CDCERN CN(Cc1ccccc1O)C(=O)/C=C\[C@@H]1CCOC1 ZINC001566304158 1168254144 /nfs/dbraw/zinc/25/41/44/1168254144.db2.gz UWFMDPRBXPRVDV-ZHRWSRJISA-N 0 0 261.321 1.943 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC[C@H]1O ZINC001567839556 1169008537 /nfs/dbraw/zinc/00/85/37/1169008537.db2.gz NRXWRYMTUORFCQ-GHMZBOCLSA-N 0 0 265.309 1.060 10 10 CDCERN O=C(/C=C\c1ccncn1)NCc1ccc(O)cc1O ZINC001570462199 1170165193 /nfs/dbraw/zinc/16/51/93/1170165193.db2.gz INMOKWGDRCQPDO-RQOWECAXSA-N 0 0 271.276 1.217 10 10 CDCERN O=C(COc1ccc(O)cc1)NCc1cc(O)ccc1O ZINC001651223022 1171303302 /nfs/dbraw/zinc/30/33/02/1171303302.db2.gz WPEKFSZSTCHBRC-UHFFFAOYSA-N 0 0 289.287 1.499 10 10 CDCERN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccccn1 ZINC001595753044 1174214530 /nfs/dbraw/zinc/21/45/30/1174214530.db2.gz WUSVBLZCRSIPDO-LLVKDONJSA-N 0 0 286.331 1.955 10 10 CDCERN Cc1nc2ccnn2cc1C(=O)NCc1c(O)cccc1O ZINC001597574204 1174281174 /nfs/dbraw/zinc/28/11/74/1174281174.db2.gz KFLYJFDLAZJVPX-UHFFFAOYSA-N 0 0 298.302 1.379 10 10 CDCERN COC(=O)CN(C(=O)c1cccc(O)c1O)C1CCCC1 ZINC000126733553 1175488701 /nfs/dbraw/zinc/48/87/01/1175488701.db2.gz GAQOXXDHQFVUKY-UHFFFAOYSA-N 0 0 293.319 1.656 10 10 CDCERN COC1CC(CCNC(=O)c2cccc(O)c2O)C1 ZINC000855168603 735332810 /nfs/dbraw/zinc/33/28/10/735332810.db2.gz HIVOVWBPWVUWMB-UHFFFAOYSA-N 0 0 265.309 1.643 10 10 CDCERN CC(=O)C(=O)COC(=O)COCc1ccccc1C ZINC000856964832 735380616 /nfs/dbraw/zinc/38/06/16/735380616.db2.gz VLUHIZBWKIHLJX-UHFFFAOYSA-N 0 0 264.277 1.213 10 10 CDCERN Cn1nncc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703257581 735516659 /nfs/dbraw/zinc/51/66/59/735516659.db2.gz QHDKKGOYPVHQTJ-UHFFFAOYSA-N 0 0 254.240 1.089 10 10 CDCERN CN(C)c1ccc(/C=C/CN2CCS(=O)(=O)CC2)cc1 ZINC000835027760 735866586 /nfs/dbraw/zinc/86/65/86/735866586.db2.gz NZDUVZQYMTZILN-ONEGZZNKSA-N 0 0 294.420 1.496 10 10 CDCERN CC1(C)COC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837003156 735922318 /nfs/dbraw/zinc/92/23/18/735922318.db2.gz STXOLHATQIJBRL-RYWCDNDXSA-N 0 0 277.320 1.652 10 10 CDCERN CCN1CN(Cc2c(O)cccc2Br)CC1=O ZINC000862343106 736268138 /nfs/dbraw/zinc/26/81/38/736268138.db2.gz AVHPIBPNLXFOTE-UHFFFAOYSA-N 0 0 299.168 1.776 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC000808656762 733185842 /nfs/dbraw/zinc/18/58/42/733185842.db2.gz YCMPGMWGQQONLF-UHFFFAOYSA-N 0 0 287.271 1.564 10 10 CDCERN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cccc(O)c1O ZINC000792670487 733246899 /nfs/dbraw/zinc/24/68/99/733246899.db2.gz BPONQPOWTKJLHG-NSHDSACASA-N 0 0 289.291 1.925 10 10 CDCERN O=C(/C=C/c1cncc(O)c1)NCc1ccc(O)c(O)c1 ZINC000182132053 733257548 /nfs/dbraw/zinc/25/75/48/733257548.db2.gz SDWYSVJEPLAUTR-DUXPYHPUSA-N 0 0 286.287 1.528 10 10 CDCERN O=C(NCc1ccc(CO)c(F)c1)c1cccc(O)c1O ZINC000192989805 733393051 /nfs/dbraw/zinc/39/30/51/733393051.db2.gz UQOXQLLIWCRKIX-UHFFFAOYSA-N 0 0 291.278 1.659 10 10 CDCERN COc1ccc(N(C)CCO[C@@H]2CCOC2)c(OC)c1 ZINC000930077968 733513721 /nfs/dbraw/zinc/51/37/21/733513721.db2.gz WLKNLYLJLAYKCB-CYBMUJFWSA-N 0 0 281.352 1.946 10 10 CDCERN CON1CC[C@@H](N2CCOc3cc(N(C)C)ccc32)C1=O ZINC000930125837 733525041 /nfs/dbraw/zinc/52/50/41/733525041.db2.gz FXTIQACEPGUZSR-CYBMUJFWSA-N 0 0 291.351 1.114 10 10 CDCERN CC(=O)C(=O)COC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000808504058 733608396 /nfs/dbraw/zinc/60/83/96/733608396.db2.gz ZKWYYOWFNCKILL-UHFFFAOYSA-N 0 0 289.287 1.276 10 10 CDCERN CC(=O)C(=O)COC(=O)C=Cc1ccnc(Cl)c1 ZINC000808531023 733686833 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O=C(N[C@H]1COc2ccccc2C1=O)C1=CC(=O)CS1 ZINC001631824787 1166305776 /nfs/dbraw/zinc/30/57/76/1166305776.db2.gz ABLFZOVQJHQACO-JTQLQIEISA-N 0 0 289.312 1.827 10 10 CDCERN CCc1nnc(NC(=O)c2ccc(N=NC(N)=O)cc2)[nH]1 ZINC001636908401 1166707493 /nfs/dbraw/zinc/70/74/93/1166707493.db2.gz RKYBCUTXMYLXJY-UHFFFAOYSA-N 0 0 287.283 1.782 10 10 CDCERN Cc1nnc(N(C)C(=O)Cc2ccc(O)c(O)c2)s1 ZINC001638246853 1166831975 /nfs/dbraw/zinc/83/19/75/1166831975.db2.gz QOKUYWUYFGHSCT-UHFFFAOYSA-N 0 0 279.321 1.463 10 10 CDCERN Cn1ccc(C(=O)NCc2cc(Cl)ccc2O)n1 ZINC001639966136 1166977040 /nfs/dbraw/zinc/97/70/40/1166977040.db2.gz VUBYOFIIPKNEPD-UHFFFAOYSA-N 0 0 265.700 1.709 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ocnc1C(F)F ZINC001645366132 1167398011 /nfs/dbraw/zinc/39/80/11/1167398011.db2.gz MFGWLXXNKJSTPE-UHFFFAOYSA-N 0 0 284.218 1.953 10 10 CDCERN Cc1nnc(CCC(=O)NCCc2ccc(O)c(O)c2)o1 ZINC001566370389 1168264196 /nfs/dbraw/zinc/26/41/96/1168264196.db2.gz YVDHZJBOUCFZRF-UHFFFAOYSA-N 0 0 291.307 1.081 10 10 CDCERN 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COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000005426352 356053409 /nfs/dbraw/zinc/05/34/09/356053409.db2.gz OOTBJLWRNZGEES-BJMVGYQFSA-N 0 0 287.271 1.376 10 10 CDCERN CO[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CC[C@H]1C ZINC000187924762 357823025 /nfs/dbraw/zinc/82/30/25/357823025.db2.gz BQQBUDZXSKEGDI-SKDRFNHKSA-N 0 0 279.336 1.903 10 10 CDCERN CC1(C[NH2+]Cc2cc(F)ccc2O)OCCCO1 ZINC000190839000 358095566 /nfs/dbraw/zinc/09/55/66/358095566.db2.gz ASWIMBZSMXHMIT-UHFFFAOYSA-N 0 0 255.289 1.774 10 10 CDCERN C[C@](O)(C[NH2+]Cc1cccc(F)c1[O-])C(F)(F)F ZINC000272243924 365148854 /nfs/dbraw/zinc/14/88/54/365148854.db2.gz AZUWIHHGLFFAPZ-JTQLQIEISA-N 0 0 267.222 1.934 10 10 CDCERN COc1ccc(N2CCN([S@@](C)(=N)=O)CC2)cc1 ZINC000404705037 367555073 /nfs/dbraw/zinc/55/50/73/367555073.db2.gz CDYLFMVAKCWPCA-GOSISDBHSA-N 0 0 269.370 1.409 10 10 CDCERN CCn1ncc(CNCc2cc(OC)ccc2O)n1 ZINC000529637789 368085525 /nfs/dbraw/zinc/08/55/25/368085525.db2.gz FCUCCZWSNSUYBR-UHFFFAOYSA-N 0 0 262.313 1.302 10 10 CDCERN CC1(C)SC[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000296027654 371568462 /nfs/dbraw/zinc/56/84/62/371568462.db2.gz NLYQOEOSPUDORL-MRVPVSSYSA-N 0 0 271.313 1.861 10 10 CDCERN [O-]c1cc(F)c(Cl)cc1C[NH2+]C1(CO)CCOCC1 ZINC000293540927 378573409 /nfs/dbraw/zinc/57/34/09/378573409.db2.gz GAQNSJLPEOBAHP-UHFFFAOYSA-N 0 0 289.734 1.816 10 10 CDCERN COC(=O)C(=O)[C@@H](C)Sc1ncc(C(=O)OC)s1 ZINC000295337769 378669754 /nfs/dbraw/zinc/66/97/54/378669754.db2.gz PORZHWQRHDJBDC-RXMQYKEDSA-N 0 0 289.334 1.152 10 10 CDCERN Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(O)c1O ZINC000177658416 391172863 /nfs/dbraw/zinc/17/28/63/391172863.db2.gz XGERQMVDLKJYHC-NXEZZACHSA-N 0 0 265.309 1.656 10 10 CDCERN COc1cc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](O)C2)cc1OC ZINC000299904291 286248765 /nfs/dbraw/zinc/24/87/65/286248765.db2.gz KQZZESWYWFCWEA-JOYOIKCWSA-N 0 0 296.323 1.819 10 10 CDCERN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429299 287036226 /nfs/dbraw/zinc/03/62/26/287036226.db2.gz VFLKYYKEMUQFQO-LDWIPMOCSA-N 0 0 294.229 1.874 10 10 CDCERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 ZINC000021508207 171308619 /nfs/dbraw/zinc/30/86/19/171308619.db2.gz DDUZIJKZHUCRCF-GHMZBOCLSA-N 0 0 284.381 1.208 10 10 CDCERN Nc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000034955733 171901578 /nfs/dbraw/zinc/90/15/78/171901578.db2.gz ZGULSSHDOXCRNH-UHFFFAOYSA-N 0 0 273.317 1.830 10 10 CDCERN CC[C@@H](C)S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000035320219 172123293 /nfs/dbraw/zinc/12/32/93/172123293.db2.gz WUJDXIAOHXZFIF-ZJUUUORDSA-N 0 0 284.381 1.809 10 10 CDCERN CC(C)C(=O)NCC[NH2+]Cc1cccc(F)c1[O-] ZINC000158675221 261168859 /nfs/dbraw/zinc/16/88/59/261168859.db2.gz OSMTXLXMMBJMLY-UHFFFAOYSA-N 0 0 254.305 1.393 10 10 CDCERN COC[C@](C)(CCO)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272576910 263007187 /nfs/dbraw/zinc/00/71/87/263007187.db2.gz DLMVSHVWPHSCRC-DRDHIDPGSA-N 0 0 295.335 1.015 10 10 CDCERN C[C@@H]1CN(Cc2cc(F)ccc2O)CC(=O)N1C ZINC000282814768 263078944 /nfs/dbraw/zinc/07/89/44/263078944.db2.gz SWNMEXXBSVYNNR-SECBINFHSA-N 0 0 252.289 1.194 10 10 CDCERN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000165046212 331305733 /nfs/dbraw/zinc/30/57/33/331305733.db2.gz XATLQAJHGYNRGK-OLZOCXBDSA-N 0 0 280.343 1.484 10 10 CDCERN CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000282796000 523384513 /nfs/dbraw/zinc/38/45/13/523384513.db2.gz QDYKDDYDJXOCRV-HNNXBMFYSA-N 0 0 276.336 1.267 10 10 CDCERN COc1ccc(CNC(=O)[C@H]2CCCOCC2)c(O)c1 ZINC000366561473 524064650 /nfs/dbraw/zinc/06/46/50/524064650.db2.gz DDTDBPLJWSKGIW-NSHDSACASA-N 0 0 279.336 1.834 10 10 CDCERN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)O ZINC000728302485 574626631 /nfs/dbraw/zinc/62/66/31/574626631.db2.gz UDQQTHTVVIEARK-LLVKDONJSA-N 0 0 279.384 1.711 10 10 CDCERN COC(=O)/C(C)=C/COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759598680 576409761 /nfs/dbraw/zinc/40/97/61/576409761.db2.gz XICSOLZGZUZMJF-AGLLBGTNSA-N 0 0 292.287 1.774 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 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C[C@H]1CO[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911261543 629224822 /nfs/dbraw/zinc/22/48/22/629224822.db2.gz HZABXBQYDOEFOZ-MFKMUULPSA-N 0 0 286.331 1.982 10 10 CDCERN O=C(CNC(=O)N1CCCC1)N1Cc2cccc(O)c2C1 ZINC000913726346 630740693 /nfs/dbraw/zinc/74/06/93/630740693.db2.gz MZMCNAXSIUFBMN-UHFFFAOYSA-N 0 0 289.335 1.040 10 10 CDCERN O=C(NCc1ccccc1O)NCC1CSC1 ZINC000915516630 631756509 /nfs/dbraw/zinc/75/65/09/631756509.db2.gz BNSSUSHIXMCMAG-UHFFFAOYSA-N 0 0 252.339 1.554 10 10 CDCERN O=C(NCCOCC1CC1)NCc1c(O)cccc1F ZINC000917491206 632226378 /nfs/dbraw/zinc/22/63/78/632226378.db2.gz QZONBTMOPCSHSH-UHFFFAOYSA-N 0 0 282.315 1.757 10 10 CDCERN O=C(Cc1c[nH]c2cnccc12)NCc1ccc(O)cc1O ZINC001626837779 1160684382 /nfs/dbraw/zinc/68/43/82/1160684382.db2.gz FBXOHOCVDITRCJ-UHFFFAOYSA-N 0 0 297.314 1.833 10 10 CDCERN O=C(NCc1ccccc1O)c1c(F)ccc(O)c1O ZINC001610142622 1165233255 /nfs/dbraw/zinc/23/32/55/1165233255.db2.gz JNEVNEGUWGVWQR-UHFFFAOYSA-N 0 0 277.251 1.873 10 10 CDCERN 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Cc1n[nH]c(C)c1CC(=O)NCc1cccc(O)c1O ZINC001347531142 965571372 /nfs/dbraw/zinc/57/13/72/965571372.db2.gz RQPMLLGBWSUPLL-UHFFFAOYSA-N 0 0 275.308 1.297 10 10 CDCERN CN(Cc1nccs1)C(=O)Cc1ccc(O)c(O)c1 ZINC001445390051 966182737 /nfs/dbraw/zinc/18/27/37/966182737.db2.gz IUZZAWCRUIYBHS-UHFFFAOYSA-N 0 0 278.333 1.755 10 10 CDCERN CC(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001540337762 967134227 /nfs/dbraw/zinc/13/42/27/967134227.db2.gz CENSZPLGGSWDHX-UHFFFAOYSA-N 0 0 294.332 1.178 10 10 CDCERN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F ZINC001451076385 967886913 /nfs/dbraw/zinc/88/69/13/967886913.db2.gz ADGCJNZTTRRQJC-KBUNVGBDSA-N 0 0 293.241 1.068 10 10 CDCERN COc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)[nH]n1 ZINC001453498451 968321514 /nfs/dbraw/zinc/32/15/14/968321514.db2.gz BVBXLKIBMJKPNE-HYXAFXHYSA-N 0 0 275.264 1.481 10 10 CDCERN Cc1nc2c(nccc2C(=O)NCc2cccc(O)c2O)[nH]1 ZINC001455316483 968677944 /nfs/dbraw/zinc/67/79/44/968677944.db2.gz OGFDODGOSXUIEU-UHFFFAOYSA-N 0 0 298.302 1.608 10 10 CDCERN 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O=C(NCc1c(O)cccc1F)[C@@H]1CCCOCC1 ZINC000928707165 757730213 /nfs/dbraw/zinc/73/02/13/757730213.db2.gz BKSOTQWARFWWAB-SNVBAGLBSA-N 0 0 267.300 1.964 10 10 CDCERN CO[C@@H](C(=O)NCc1ccccc1O)[C@H]1CCOC1 ZINC000830527134 757822156 /nfs/dbraw/zinc/82/21/56/757822156.db2.gz VDPJFJNCEHQBIF-WCQYABFASA-N 0 0 265.309 1.060 10 10 CDCERN COC(=O)[C@@H](CF)NCc1cc(OC)c(OC)cc1O ZINC000809776619 757870305 /nfs/dbraw/zinc/87/03/05/757870305.db2.gz LCPBLFNNPADEDG-SECBINFHSA-N 0 0 287.287 1.010 10 10 CDCERN CC(=O)C(=O)COC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000808505340 757873148 /nfs/dbraw/zinc/87/31/48/757873148.db2.gz WUIQMCVLWKMUQQ-UHFFFAOYSA-N 0 0 286.287 1.116 10 10 CDCERN COc1cc(CN2CN(C)C(=O)[C@@H]2C)c(O)cc1C ZINC000842648578 757940218 /nfs/dbraw/zinc/94/02/18/757940218.db2.gz XNIVYKGOXUSGAU-JTQLQIEISA-N 0 0 264.325 1.329 10 10 CDCERN CN(C)c1ncc(CN(C)C(=O)Cc2ccc(N)cc2)cn1 ZINC000832003082 758076601 /nfs/dbraw/zinc/07/66/01/758076601.db2.gz XYEJKZUAMPLKNJ-UHFFFAOYSA-N 0 0 299.378 1.326 10 10 CDCERN COc1cc(OC)nc(N2Cc3cccc(O)c3C2)n1 ZINC000866117589 758426679 /nfs/dbraw/zinc/42/66/79/758426679.db2.gz OVLJUJASBYWZKX-UHFFFAOYSA-N 0 0 273.292 1.720 10 10 CDCERN Oc1cccc2c1CN(C(=S)NC[C@@H]1CCCO1)C2 ZINC000865258707 758700975 /nfs/dbraw/zinc/70/09/75/758700975.db2.gz LIBSRRUBPKBLIL-NSHDSACASA-N 0 0 278.377 1.761 10 10 CDCERN Cn1cnnc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001633759036 1166447214 /nfs/dbraw/zinc/44/72/14/1166447214.db2.gz JVQIUNKSEPJREY-UHFFFAOYSA-N 0 0 273.256 1.230 10 10 CDCERN O=C(CSc1nncs1)NCc1cc(O)ccc1O ZINC001644752404 1167344868 /nfs/dbraw/zinc/34/48/68/1167344868.db2.gz DRFXAJKAYGZMCF-UHFFFAOYSA-N 0 0 297.361 1.358 10 10 CDCERN CC(C)[C@H](O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001566884367 1168455660 /nfs/dbraw/zinc/45/56/60/1168455660.db2.gz KKLTXPQEQGBUNG-HNNXBMFYSA-N 0 0 293.363 1.554 10 10 CDCERN O=C(c1ccc[nH]c1=O)N1Cc2cccc(O)c2C1 ZINC001175029606 913435896 /nfs/dbraw/zinc/43/58/96/913435896.db2.gz IRIYDWVYLNQWAY-UHFFFAOYSA-N 0 0 256.261 1.649 10 10 CDCERN CC(C)(C)n1cc(C(=O)NCc2cc(O)ccc2O)cn1 ZINC001176748350 914238858 /nfs/dbraw/zinc/23/88/58/914238858.db2.gz PUKUTXXHSNGLAO-UHFFFAOYSA-N 0 0 289.335 1.979 10 10 CDCERN COc1ccnc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001176755430 914261051 /nfs/dbraw/zinc/26/10/51/914261051.db2.gz POFCBLDMYLDHAC-UHFFFAOYSA-N 0 0 274.276 1.431 10 10 CDCERN COCc1ncsc1C(=O)NCc1cc(O)ccc1O ZINC001176756081 914261984 /nfs/dbraw/zinc/26/19/84/914261984.db2.gz WJKTYUKLVMFQKY-UHFFFAOYSA-N 0 0 294.332 1.631 10 10 CDCERN COc1cc(CCC(=O)NCc2ccc(O)cc2O)on1 ZINC001142534040 908883437 /nfs/dbraw/zinc/88/34/37/908883437.db2.gz XEAMNGKQZNQEAK-UHFFFAOYSA-N 0 0 292.291 1.343 10 10 CDCERN Cc1ccc(C(=O)N2CC[C@@H](c3ncccn3)C2)c(O)c1O ZINC001178848814 915659467 /nfs/dbraw/zinc/65/94/67/915659467.db2.gz AWBQWBYAAMPVKC-LLVKDONJSA-N 0 0 299.330 1.826 10 10 CDCERN CCC(CC)(CO)CNC(=O)Cc1ccc(O)c(O)c1 ZINC001137603067 936371618 /nfs/dbraw/zinc/37/16/18/936371618.db2.gz WUULJEKIBWQQBC-UHFFFAOYSA-N 0 0 281.352 1.555 10 10 CDCERN NC(=O)c1ccc(NC(=O)C2=CC(=O)CS2)cn1 ZINC001137716771 936395432 /nfs/dbraw/zinc/39/54/32/936395432.db2.gz SHCDLQRZIFUQNL-UHFFFAOYSA-N 0 0 263.278 1.200 10 10 CDCERN C[C@@H](O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001183040484 918267327 /nfs/dbraw/zinc/26/73/27/918267327.db2.gz LXJXGUJUDBKTFN-BDAKNGLRSA-N 0 0 283.299 1.470 10 10 CDCERN CCOc1ccc(N(CCn2cnnn2)CC2CC2)cc1 ZINC001196953543 925020166 /nfs/dbraw/zinc/02/01/66/925020166.db2.gz XYQVPXNYSZXGHC-UHFFFAOYSA-N 0 0 287.367 1.988 10 10 CDCERN C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1cccc(O)c1O ZINC001123887942 936239432 /nfs/dbraw/zinc/23/94/32/936239432.db2.gz GKFFTFPZAHGVMD-JQWIXIFHSA-N 0 0 295.335 1.298 10 10 CDCERN Cc1cccnc1N(C)C(=O)/C=C\c1cn(C)cn1 ZINC001525409844 970957400 /nfs/dbraw/zinc/95/74/00/970957400.db2.gz BWUULZPMLKGEBX-SREVYHEPSA-N 0 0 256.309 1.800 10 10 CDCERN C[C@@H]1CC[C@H](C)N1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329477057 955939176 /nfs/dbraw/zinc/93/91/76/955939176.db2.gz DKGQOWTVHLTAIG-PHIMTYICSA-N 0 0 288.347 1.634 10 10 CDCERN Cc1ccc(C(=O)N2C3CCC2(CO)CC3)c(O)c1O ZINC001335322308 959709986 /nfs/dbraw/zinc/70/99/86/959709986.db2.gz CFCSPLWOKNJKSW-UHFFFAOYSA-N 0 0 277.320 1.536 10 10 CDCERN CC1(C)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC001345196440 964629812 /nfs/dbraw/zinc/62/98/12/964629812.db2.gz AIYWFBUWNRGKAA-UHFFFAOYSA-N 0 0 289.379 1.329 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCC12OCCO2 ZINC001558175628 965244701 /nfs/dbraw/zinc/24/47/01/965244701.db2.gz YJTHJGXIAKFWJQ-LBPRGKRZSA-N 0 0 293.319 1.257 10 10 CDCERN C[C@@H]1COCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001558174944 965245750 /nfs/dbraw/zinc/24/57/50/965245750.db2.gz DLRSGBMNORXWBW-SKDRFNHKSA-N 0 0 265.309 1.387 10 10 CDCERN Cc1nnc(NC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001543414239 967295765 /nfs/dbraw/zinc/29/57/65/967295765.db2.gz WFMXONNTAZGRRV-UHFFFAOYSA-N 0 0 265.294 1.439 10 10 CDCERN COC(=O)c1ccc(CNC(=O)C2=CC(=O)CS2)cn1 ZINC001545169940 967406618 /nfs/dbraw/zinc/40/66/18/967406618.db2.gz GJZGWVGHTZSAJT-UHFFFAOYSA-N 0 0 292.316 1.565 10 10 CDCERN CC[C@](C)(CC(=O)OC)NC(=O)Cc1ccc(O)c(O)c1 ZINC001545209707 967409020 /nfs/dbraw/zinc/40/90/20/967409020.db2.gz ATASODAQBPYASN-OAHLLOKOSA-N 0 0 295.335 1.488 10 10 CDCERN O=C(Nc1cccc2n[nH]nc21)C1=CC(=O)CS1 ZINC001449940527 967601528 /nfs/dbraw/zinc/60/15/28/967601528.db2.gz MQNHNIPFNVNTLY-UHFFFAOYSA-N 0 0 260.278 1.977 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CCCC(F)(F)C1 ZINC001452852963 968192911 /nfs/dbraw/zinc/19/29/11/968192911.db2.gz JWOGPTDAGLTJOV-UHFFFAOYSA-N 0 0 271.263 1.898 10 10 CDCERN O=C(NCc1cc(O)ccc1O)[C@@H]1CCSC1 ZINC001455355024 968688439 /nfs/dbraw/zinc/68/84/39/968688439.db2.gz AHSFEVXORXBAQT-MRVPVSSYSA-N 0 0 253.323 1.467 10 10 CDCERN CCOCC1(C(=O)NCc2cccc(O)c2O)CC1 ZINC001528771169 968925635 /nfs/dbraw/zinc/92/56/35/968925635.db2.gz LSHRZSDPQAFRLB-UHFFFAOYSA-N 0 0 265.309 1.531 10 10 CDCERN C[C@@H](Cn1ccnc1)NC(=O)c1c(F)ccc(O)c1O ZINC001457524390 969176033 /nfs/dbraw/zinc/17/60/33/969176033.db2.gz GRKXISDBURTKAX-QMMMGPOBSA-N 0 0 279.271 1.252 10 10 CDCERN C/C(=C/C(=O)N(C)c1cccnc1)c1cnccn1 ZINC001537566214 969660289 /nfs/dbraw/zinc/66/02/89/969660289.db2.gz LFHLHDKTCKQTSN-FLIBITNWSA-N 0 0 254.293 1.938 10 10 CDCERN CNC(=O)c1ccccc1N(C)C(=O)/C=C\c1cn(C)cn1 ZINC001537609438 969661537 /nfs/dbraw/zinc/66/15/37/969661537.db2.gz JADVWQJDFAEEKJ-HJWRWDBZSA-N 0 0 298.346 1.456 10 10 CDCERN O=C(NCc1ccc(O)c(O)c1)c1ccns1 ZINC001465953030 969908606 /nfs/dbraw/zinc/90/86/06/969908606.db2.gz BCFUALYNSQSQRW-UHFFFAOYSA-N 0 0 250.279 1.484 10 10 CDCERN COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CC1 ZINC001466281440 969938553 /nfs/dbraw/zinc/93/85/53/969938553.db2.gz LRADBUSPZPILGH-LLVKDONJSA-N 0 0 265.309 1.182 10 10 CDCERN NC(=O)N=Nc1ccc(C(=O)NCCCCCO)cc1 ZINC001467740087 970098419 /nfs/dbraw/zinc/09/84/19/970098419.db2.gz UCWNNRXNRFCGMM-UHFFFAOYSA-N 0 0 278.312 1.741 10 10 CDCERN Cc1cc(C(=O)NCc2ccc(O)cc2O)ccn1 ZINC001469158593 970227417 /nfs/dbraw/zinc/22/74/17/970227417.db2.gz CQHUESURCUPFMM-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCn2ccnc21 ZINC001470908711 970377842 /nfs/dbraw/zinc/37/78/42/970377842.db2.gz ZXOXAPOSLACILV-RQOWECAXSA-N 0 0 271.276 1.354 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1c[nH]c2ncccc12 ZINC001471661621 970458799 /nfs/dbraw/zinc/45/87/99/970458799.db2.gz VOOOHYOBQNZKJH-UHFFFAOYSA-N 0 0 283.287 1.904 10 10 CDCERN Cc1ccc(C(=O)C(=O)NCc2c(O)cccc2O)cc1 ZINC001472063236 970554531 /nfs/dbraw/zinc/55/45/31/970554531.db2.gz IGLPOFGWAYBWMN-UHFFFAOYSA-N 0 0 285.299 1.905 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cnc(C2CC2)o1 ZINC001651225508 1171305691 /nfs/dbraw/zinc/30/56/91/1171305691.db2.gz MQQSPPNCJIUHJY-UHFFFAOYSA-N 0 0 274.276 1.893 10 10 CDCERN COC(=O)c1sc2nc(C)cc(C(=O)OC)c2c1N ZINC000409438601 342169638 /nfs/dbraw/zinc/16/96/38/342169638.db2.gz DGZAYKMCSKSXIX-UHFFFAOYSA-N 0 0 280.305 1.760 10 10 CDCERN Oc1ccc(Br)cc1C[NH2+]C1COC1 ZINC000236615299 363279566 /nfs/dbraw/zinc/27/95/66/363279566.db2.gz CFLCLCUOAUXZRY-UHFFFAOYSA-N 0 0 258.115 1.643 10 10 CDCERN C[C@H](CO)[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180870224 357291034 /nfs/dbraw/zinc/29/10/34/357291034.db2.gz KVNWTPZILPEEKY-HANDCERCSA-N 0 0 265.309 1.244 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCC[C@@H]1O ZINC000181227861 357325891 /nfs/dbraw/zinc/32/58/91/357325891.db2.gz WVYDHJZNBUZFPK-OWVOXGNYSA-N 0 0 277.320 1.531 10 10 CDCERN O=C(NCc1ccccc1O)[C@@H]1CCCc2n[nH]cc21 ZINC000268168631 363994188 /nfs/dbraw/zinc/99/41/88/363994188.db2.gz JQFOAKZIWOGVEQ-LLVKDONJSA-N 0 0 271.320 1.852 10 10 CDCERN O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cccc(O)c1O ZINC000193140302 373682964 /nfs/dbraw/zinc/68/29/64/373682964.db2.gz HCJJWCNBAUDLIC-OCCSQVGLSA-N 0 0 285.299 1.486 10 10 CDCERN CCOC(=O)CC[C@H](C)NC(=O)NCc1ccccc1O ZINC000270467364 391274902 /nfs/dbraw/zinc/27/49/02/391274902.db2.gz AYPHJBRKXSLSHO-NSHDSACASA-N 0 0 294.351 1.923 10 10 CDCERN CCCOc1cc(N2CCn3cnnc3C2)ccc1N ZINC000081210989 134498079 /nfs/dbraw/zinc/49/80/79/134498079.db2.gz ZXBIUYBOFXHFTG-UHFFFAOYSA-N 0 0 273.340 1.669 10 10 CDCERN Cc1cc(O)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O ZINC000004963674 170046214 /nfs/dbraw/zinc/04/62/14/170046214.db2.gz YOOXNSPYGCZLAX-UHFFFAOYSA-N 0 0 270.240 1.887 10 10 biogenic,in-vitro CDCERN Cc1nccc(CNC(=O)Cc2ccc(N)cc2)n1 ZINC000038038114 174038544 /nfs/dbraw/zinc/03/85/44/174038544.db2.gz RUXAJPMKMZHTKP-UHFFFAOYSA-N 0 0 256.309 1.226 10 10 CDCERN Cc1oncc1C(=O)NCCOc1ccc(N)cc1 ZINC000038079526 174089624 /nfs/dbraw/zinc/08/96/24/174089624.db2.gz PJASIFPGCRCAAE-UHFFFAOYSA-N 0 0 261.281 1.374 10 10 CDCERN Cc1cc(Br)cc([C@H]([NH3+])C(=O)[O-])c1O ZINC000072196758 176338302 /nfs/dbraw/zinc/33/83/02/176338302.db2.gz LKFNXBUFTNJYQH-ZETCQYMHSA-N 0 0 260.087 1.548 10 10 CDCERN C[C@@H]1CN(Cc2cc(F)ccc2O)CCS1(=O)=O ZINC000180172181 261844676 /nfs/dbraw/zinc/84/46/76/261844676.db2.gz YCKUNHCFPYBMAI-SECBINFHSA-N 0 0 273.329 1.150 10 10 CDCERN [NH3+][C@H](CO)c1c([O-])c(Br)cc(F)c1F ZINC000072199434 295331958 /nfs/dbraw/zinc/33/19/58/295331958.db2.gz DVRUEVDSBAWLIT-RXMQYKEDSA-N 0 0 268.057 1.425 10 10 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C[C@@H](C(=O)NCc1cccc(O)c1O)[C@@H]1CCCO1 ZINC001352672797 967416203 /nfs/dbraw/zinc/41/62/03/967416203.db2.gz YHLKCBZAHSSOKX-SKDRFNHKSA-N 0 0 265.309 1.529 10 10 CDCERN CN(C)c1ccc(CNC(=O)c2cc3ncccn3n2)cc1 ZINC001353505234 968027225 /nfs/dbraw/zinc/02/72/25/968027225.db2.gz WHHLUZAJPSWBAI-UHFFFAOYSA-N 0 0 295.346 1.725 10 10 CDCERN O=C(NCc1cc(Cl)ccc1O)c1cnn(CCO)c1 ZINC001300396445 968199039 /nfs/dbraw/zinc/19/90/39/968199039.db2.gz UASXTBDNVSTZEF-UHFFFAOYSA-N 0 0 295.726 1.164 10 10 CDCERN Cc1ccc(C(=O)N(C)Cc2ncccn2)c(O)c1O ZINC001455132240 968621425 /nfs/dbraw/zinc/62/14/25/968621425.db2.gz XCOQHFDIGRMLDW-UHFFFAOYSA-N 0 0 273.292 1.468 10 10 CDCERN COC(=O)c1cncnc1NCc1cc(C)ccc1O ZINC001458495680 969307334 /nfs/dbraw/zinc/30/73/34/969307334.db2.gz FYGSXZCSTAGPMW-UHFFFAOYSA-N 0 0 273.292 1.889 10 10 CDCERN COc1cnc(F)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001465953445 969908579 /nfs/dbraw/zinc/90/85/79/969908579.db2.gz GPRYKEVCXBCURY-UHFFFAOYSA-N 0 0 292.266 1.571 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC2(CCC2)C1 ZINC001465999345 969912775 /nfs/dbraw/zinc/91/27/75/969912775.db2.gz LIDPREHEYXNURA-GFCCVEGCSA-N 0 0 291.347 1.858 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1cnn(C2CCC2)c1 ZINC001520508575 970193653 /nfs/dbraw/zinc/19/36/53/970193653.db2.gz GLPQOMFBUUXNCJ-UHFFFAOYSA-N 0 0 287.319 1.949 10 10 CDCERN COc1cccc(C(=O)NCc2ccc(O)cc2O)c1O ZINC001469160357 970228135 /nfs/dbraw/zinc/22/81/35/970228135.db2.gz RBEZYRQIIFMFAR-UHFFFAOYSA-N 0 0 289.287 1.742 10 10 CDCERN CC(C)C[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001469879092 970275986 /nfs/dbraw/zinc/27/59/86/970275986.db2.gz IDEZUJIUTFDLPU-LBPRGKRZSA-N 0 0 292.339 1.986 10 10 CDCERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001471661548 970457077 /nfs/dbraw/zinc/45/70/77/970457077.db2.gz SGPSUCVFYKWCOX-RNCFNFMXSA-N 0 0 277.320 1.719 10 10 CDCERN CC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)n(C)c1 ZINC001471661314 970458533 /nfs/dbraw/zinc/45/85/33/970458533.db2.gz NCMLPJMCYHAPTO-UHFFFAOYSA-N 0 0 288.303 1.569 10 10 CDCERN O=C(C[C@@H]1CCCC[C@H]1O)NCc1c(O)cccc1O ZINC001652626497 1171458355 /nfs/dbraw/zinc/45/83/55/1171458355.db2.gz WOLRSLLOPOKWQD-CMPLNLGQSA-N 0 0 279.336 1.655 10 10 CDCERN Cc1cccc(C[NH2+]C[C@H]2CN(C)CCO2)c1O ZINC000124810173 360402415 /nfs/dbraw/zinc/40/24/15/360402415.db2.gz YGIIGEXMARLWIA-ZDUSSCGKSA-N 0 0 250.342 1.121 10 10 CDCERN CCOc1ccc(O)c(CN2CCN(C(C)=O)C[C@H]2C)c1 ZINC000271178177 364962688 /nfs/dbraw/zinc/96/26/88/364962688.db2.gz KCRXRKMUVHIJQK-GFCCVEGCSA-N 0 0 292.379 1.844 10 10 CDCERN CNC(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293821025 370812211 /nfs/dbraw/zinc/81/22/11/370812211.db2.gz DFXUCJPTBMOZRK-UHFFFAOYSA-N 0 0 260.696 1.410 10 10 CDCERN COCCOCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294330758 371051617 /nfs/dbraw/zinc/05/16/17/371051617.db2.gz RQSLTRRNWPMZJC-UHFFFAOYSA-N 0 0 277.723 1.937 10 10 CDCERN COc1nccnc1CN(C)c1ccc2c(c1)OCO2 ZINC000295518471 371321182 /nfs/dbraw/zinc/32/11/82/371321182.db2.gz VLLOPOGCWXITNQ-UHFFFAOYSA-N 0 0 273.292 1.850 10 10 CDCERN CC(C)[C@@H](O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000133804376 390937920 /nfs/dbraw/zinc/93/79/20/390937920.db2.gz SXOQFNCHNBZNRM-AWEZNQCLSA-N 0 0 279.384 1.569 10 10 CDCERN COc1cncc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001584635782 1172838719 /nfs/dbraw/zinc/83/87/19/1172838719.db2.gz LIFMOABUZCWTSB-UHFFFAOYSA-N 0 0 275.264 1.078 10 10 CDCERN C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273599685 286901324 /nfs/dbraw/zinc/90/13/24/286901324.db2.gz RRFJDGIQOQWSKH-UWVGGRQHSA-N 0 0 291.311 1.631 10 10 CDCERN CCN1CCN(C(=O)CCc2ccc(N)cc2)CC1 ZINC000020186542 171050829 /nfs/dbraw/zinc/05/08/29/171050829.db2.gz GCVGCVGJQKBPKP-UHFFFAOYSA-N 0 0 261.369 1.366 10 10 CDCERN C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N(C)C ZINC000038089888 174103112 /nfs/dbraw/zinc/10/31/12/174103112.db2.gz HYOUPARAPGNQSJ-VIFPVBQESA-N 0 0 258.343 1.191 10 10 CDCERN C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(F)cc1[O-] ZINC000091666771 260266448 /nfs/dbraw/zinc/26/64/48/260266448.db2.gz CYKSUDYYZMXHRH-JQWIXIFHSA-N 0 0 268.332 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CDCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ccnc1 ZINC000742249242 576592844 /nfs/dbraw/zinc/59/28/44/576592844.db2.gz SFJDZIVZKKTVQQ-UHFFFAOYSA-N 0 0 286.379 1.998 10 10 CDCERN CC(C)OC[C@@H](O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000762920999 576692619 /nfs/dbraw/zinc/69/26/19/576692619.db2.gz BPCRJJIIEMGSHV-TXNVCOODSA-N 0 0 296.319 1.440 10 10 CDCERN O=C(NCCc1ccc(O)c(O)c1)c1cccc2ncnn21 ZINC000782173716 618362932 /nfs/dbraw/zinc/36/29/32/618362932.db2.gz IAMKKNVZXHWFIP-UHFFFAOYSA-N 0 0 298.302 1.113 10 10 CDCERN COc1cccc(CNC(=O)c2cnnc(C)c2)c1O ZINC000787132320 618370754 /nfs/dbraw/zinc/37/07/54/618370754.db2.gz YRRKMSFCPMHNQX-UHFFFAOYSA-N 0 0 273.292 1.429 10 10 CDCERN O=C1C[C@]2(CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)CN1 ZINC000894592973 618985495 /nfs/dbraw/zinc/98/54/95/618985495.db2.gz NKAGTJFAMQRDCY-CQSZACIVSA-N 0 0 282.290 1.382 10 10 CDCERN COc1cc(C)cc(CN2CCO[C@H]([C@H](C)O)C2)c1O ZINC000895016052 619204086 /nfs/dbraw/zinc/20/40/86/619204086.db2.gz LKBGCSNFUQZFHS-FZMZJTMJSA-N 0 0 281.352 1.291 10 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O=C(NCc1ccc(O)cc1O)c1cccc2c[nH]nc21 ZINC001570462102 1170164843 /nfs/dbraw/zinc/16/48/43/1170164843.db2.gz DKQBDSJRJRLYTG-UHFFFAOYSA-N 0 0 283.287 1.904 10 10 CDCERN Cc1ccc(C(N)=O)c(NC(=O)c2cccc(O)c2O)c1 ZINC001570910737 1170317789 /nfs/dbraw/zinc/31/77/89/1170317789.db2.gz QSRQWATVQCWHOM-UHFFFAOYSA-N 0 0 286.287 1.757 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ncncc2C1 ZINC001650933526 1171271416 /nfs/dbraw/zinc/27/14/16/1171271416.db2.gz MTUKXYATMFQLIR-RQOWECAXSA-N 0 0 297.314 1.486 10 10 CDCERN O=C(Nc1n[nH]cc1C1CC1)c1cccc(O)c1O ZINC001651090829 1171287926 /nfs/dbraw/zinc/28/79/26/1171287926.db2.gz BWDMFTNAQRKWJF-UHFFFAOYSA-N 0 0 259.265 1.951 10 10 CDCERN CSc1nccnc1C(=O)NCc1c(O)cccc1F ZINC001652298243 1171419751 /nfs/dbraw/zinc/41/97/51/1171419751.db2.gz GYFOQUNPDGYOHD-UHFFFAOYSA-N 0 0 293.323 1.973 10 10 CDCERN CCNc1ncc(C(=O)NCc2c(O)cccc2O)s1 ZINC001652625930 1171458412 /nfs/dbraw/zinc/45/84/12/1171458412.db2.gz OHLYOEIEKSEFLX-UHFFFAOYSA-N 0 0 293.348 1.916 10 10 CDCERN Cc1c(CCC(=O)NCc2c(O)cccc2O)cnn1C ZINC001652626614 1171458865 /nfs/dbraw/zinc/45/88/65/1171458865.db2.gz ZWGHPTPCTRJIMO-UHFFFAOYSA-N 0 0 289.335 1.389 10 10 CDCERN Cc1ccc(C(=O)N[C@@H](CO)C(F)(F)F)c(O)c1O ZINC001653236192 1171522805 /nfs/dbraw/zinc/52/28/05/1171522805.db2.gz ROYIOTVWQTYIJQ-ZETCQYMHSA-N 0 0 279.214 1.059 10 10 CDCERN C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC(C)(C)O1 ZINC001583631856 1172771612 /nfs/dbraw/zinc/77/16/12/1172771612.db2.gz LAXKRNDSLLZMBD-SNVBAGLBSA-N 0 0 279.336 1.666 10 10 CDCERN COC(=O)CCC(C)(C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001585222067 1172883600 /nfs/dbraw/zinc/88/36/00/1172883600.db2.gz HCDNXZJBTATEHP-UHFFFAOYSA-N 0 0 295.335 1.488 10 10 CDCERN CNc1cnc(C(=O)N[C@H](C)c2ccccc2O)cn1 ZINC001587447267 1172985169 /nfs/dbraw/zinc/98/51/69/1172985169.db2.gz NHDWXXMUYARNCX-SECBINFHSA-N 0 0 272.308 1.715 10 10 CDCERN CO[C@H](C)CCC(=O)NCc1cc(O)ccc1O ZINC001593872921 1174173430 /nfs/dbraw/zinc/17/34/30/1174173430.db2.gz GRIJDDLKVLCGRC-SECBINFHSA-N 0 0 253.298 1.529 10 10 CDCERN O=C(c1c(F)ccc(O)c1O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863941077 1164495859 /nfs/dbraw/zinc/49/58/59/1164495859.db2.gz UROOBNKQTSKWCD-BJOHPYRUSA-N 0 0 295.310 1.472 10 10 CDCERN COC(=O)c1cnc(SC[C@H]2CCc3ncnn32)s1 ZINC000865369289 1164638273 /nfs/dbraw/zinc/63/82/73/1164638273.db2.gz PYEMCESUWDTSCC-SSDOTTSWSA-N 0 0 296.377 1.801 10 10 CDCERN C[C@H](NC(=O)C(=O)OC(C)(C)C)c1ccccc1O ZINC000866161328 1164745200 /nfs/dbraw/zinc/74/52/00/1164745200.db2.gz NGCTZCGJTJJOMM-VIFPVBQESA-N 0 0 265.309 1.911 10 10 CDCERN CC1(C)OCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841907515 782262021 /nfs/dbraw/zinc/26/20/21/782262021.db2.gz ATFSAHQYVRSNHF-ZDUSSCGKSA-N 0 0 277.368 1.678 10 10 CDCERN CC(C)C(=O)NCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868015654 1164897997 /nfs/dbraw/zinc/89/79/97/1164897997.db2.gz BMXNUDZUFFAAMS-NSHDSACASA-N 0 0 293.367 1.525 10 10 CDCERN O=C(N[C@H]1CO[C@H](C2CC2)C1)C1=CC(=O)CS1 ZINC000863283922 782528924 /nfs/dbraw/zinc/52/89/24/782528924.db2.gz XHOHAEXNRSKBCS-SCZZXKLOSA-N 0 0 253.323 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O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)CC(F)(F)F ZINC001546117184 969520887 /nfs/dbraw/zinc/52/08/87/969520887.db2.gz XMFLAPMWIZNQEV-QMMMGPOBSA-N 0 0 293.241 1.070 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1cc(F)c[nH]c1=O ZINC001471661952 970460120 /nfs/dbraw/zinc/46/01/20/970460120.db2.gz INFOYBVBWMJNNS-UHFFFAOYSA-N 0 0 278.239 1.268 10 10 CDCERN Cn1nc(C(=O)NCc2c(O)cccc2F)cc1Cl ZINC001471976067 970527121 /nfs/dbraw/zinc/52/71/21/970527121.db2.gz QIHBONSHLWUPOQ-UHFFFAOYSA-N 0 0 283.690 1.848 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cnn2c1OCCC2 ZINC001472063475 970557366 /nfs/dbraw/zinc/55/73/66/970557366.db2.gz LGLJLWMZZQROFY-UHFFFAOYSA-N 0 0 289.291 1.007 10 10 CDCERN COc1cncc(C(=O)NCc2c(O)cccc2O)c1C ZINC001472064276 970557811 /nfs/dbraw/zinc/55/78/11/970557811.db2.gz ZNVSFMHSUGMFDR-UHFFFAOYSA-N 0 0 288.303 1.740 10 10 CDCERN Cc1nnc(CCNC(=O)Cc2ccc(O)c(O)c2)s1 ZINC001570004131 1170057254 /nfs/dbraw/zinc/05/72/54/1170057254.db2.gz GBNFLSYATRKEFS-UHFFFAOYSA-N 0 0 293.348 1.159 10 10 CDCERN Cc1ccnc2c1C(=O)c1nccc([N+](=O)[O-])c1C2=O ZINC000034607729 342446630 /nfs/dbraw/zinc/44/66/30/342446630.db2.gz VXONLBJHWYHFRF-UHFFFAOYSA-N 0 0 269.216 1.469 10 10 CDCERN Cc1cc(C)n2c(Cc3ccc(N)cc3)nnc2n1 ZINC000036827770 356885290 /nfs/dbraw/zinc/88/52/90/356885290.db2.gz ZRSKVYAHLYNIRS-UHFFFAOYSA-N 0 0 253.309 1.914 10 10 CDCERN CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2CO)c1O ZINC000185176083 357518423 /nfs/dbraw/zinc/51/84/23/357518423.db2.gz IIFKKOIMKRCMHG-NEPJUHHUSA-N 0 0 299.754 1.176 10 10 CDCERN CCN(CCO)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294719052 199150106 /nfs/dbraw/zinc/15/01/06/199150106.db2.gz PIPHSIJMQZCMIP-UHFFFAOYSA-N 0 0 290.766 1.589 10 10 CDCERN CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccccc1O ZINC000295029173 371119488 /nfs/dbraw/zinc/11/94/88/371119488.db2.gz IDDNYAMLKIZOBX-SMDDNHRTSA-N 0 0 279.336 1.450 10 10 CDCERN CC(C)S(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 ZINC000008031002 376066551 /nfs/dbraw/zinc/06/65/51/376066551.db2.gz NQGWRVNXKLMQHO-UHFFFAOYSA-N 0 0 283.397 1.129 10 10 CDCERN CN(C[C@@H]1CCCO1)C(=O)c1cccc(O)c1O ZINC000126285629 390920570 /nfs/dbraw/zinc/92/05/70/390920570.db2.gz IQZSPAFZXOFRHH-VIFPVBQESA-N 0 0 251.282 1.349 10 10 CDCERN C[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(O)cc1 ZINC000020258046 171113303 /nfs/dbraw/zinc/11/33/03/171113303.db2.gz BIBYJWRBOGUDOV-SNVBAGLBSA-N 0 0 270.354 1.923 10 10 CDCERN CC(C)CNC(=O)[C@H](C)OCc1ccc(N)cc1 ZINC000020391106 171179808 /nfs/dbraw/zinc/17/98/08/171179808.db2.gz HVVBUVQIXAMVAQ-NSHDSACASA-N 0 0 250.342 1.946 10 10 CDCERN Nc1ccc(CCC(=O)N2CCC[C@@H](CO)C2)cc1 ZINC000036228077 172525564 /nfs/dbraw/zinc/52/55/64/172525564.db2.gz VMLPOZRVIUGLAX-CYBMUJFWSA-N 0 0 262.353 1.432 10 10 CDCERN COC(=O)CSCCCOc1ccc(N)cc1 ZINC000036336654 172620401 /nfs/dbraw/zinc/62/04/01/172620401.db2.gz DXOJHBLOBNAHSK-UHFFFAOYSA-N 0 0 255.339 1.944 10 10 CDCERN C[C@@H](c1ccccc1O)N(C)C(=O)Cn1cccn1 ZINC000038089738 174103017 /nfs/dbraw/zinc/10/30/17/174103017.db2.gz WSNQEXQUEXBJSA-NSHDSACASA-N 0 0 259.309 1.808 10 10 CDCERN [NH3+][C@H](CO)c1cc(Br)c(F)cc1[O-] ZINC000072199088 176339720 /nfs/dbraw/zinc/33/97/20/176339720.db2.gz NLTJGYNSNNZTDH-SSDOTTSWSA-N 0 0 250.067 1.286 10 10 CDCERN CSCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186383067 262091166 /nfs/dbraw/zinc/09/11/66/262091166.db2.gz RANXVSOCPFBRDC-MRVPVSSYSA-N 0 0 255.339 1.508 10 10 CDCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(N)cc1 ZINC000178866309 329204343 /nfs/dbraw/zinc/20/43/43/329204343.db2.gz RFKZNZOEQNUNEB-CYBMUJFWSA-N 0 0 299.378 1.617 10 10 CDCERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c(O)c1O ZINC000189359837 329380131 /nfs/dbraw/zinc/38/01/31/329380131.db2.gz KGVQIOLDKXQOEE-JLLWLGSASA-N 0 0 277.320 1.704 10 10 CDCERN COc1ccc(N(C)C[C@H]2COCCO2)cc1F ZINC000828040813 1160087130 /nfs/dbraw/zinc/08/71/30/1160087130.db2.gz LUVGUTNEJXOMMX-NSHDSACASA-N 0 0 255.289 1.686 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC12COC2 ZINC000854838778 782145413 /nfs/dbraw/zinc/14/54/13/782145413.db2.gz URSSHJSBXOAFRG-DUXPYHPUSA-N 0 0 261.277 1.112 10 10 CDCERN C[C@@H](Cn1cncn1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962321 1162178319 /nfs/dbraw/zinc/17/83/19/1162178319.db2.gz LIMPCERCULXDRK-QMMMGPOBSA-N 0 0 284.722 1.955 10 10 CDCERN CCOC(=O)[C@@H](C)N[C@@H](C)c1cc(O)ccc1O ZINC000049368090 521026245 /nfs/dbraw/zinc/02/62/45/521026245.db2.gz WTXRKCSQYVHMDH-DTWKUNHWSA-N 0 0 253.298 1.700 10 10 CDCERN COC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000062575838 523433204 /nfs/dbraw/zinc/43/32/04/523433204.db2.gz MKNWVJCDVQPQIE-UHFFFAOYSA-N 0 0 289.335 1.460 10 10 CDCERN O=C1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CN1 ZINC000279535352 527025262 /nfs/dbraw/zinc/02/52/62/527025262.db2.gz ZWAPNHPKFKNPFR-AWEZNQCLSA-N 0 0 280.755 1.758 10 10 CDCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCNC1=O ZINC000824306339 618564285 /nfs/dbraw/zinc/56/42/85/618564285.db2.gz VZHMSXUTAHZZKD-LBPRGKRZSA-N 0 0 291.351 1.202 10 10 CDCERN CCc1cccc(CN2CC(C3CS(=O)(=O)C3)C2)c1O ZINC000895424185 619663119 /nfs/dbraw/zinc/66/31/19/619663119.db2.gz QGMXPQJDXCSIMQ-UHFFFAOYSA-N 0 0 295.404 1.431 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CC(=O)C(=O)COC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000808517920 1162869827 /nfs/dbraw/zinc/86/98/27/1162869827.db2.gz SEKUDVJVHILTMP-BXKDBHETSA-N 0 0 256.298 1.283 10 10 CDCERN Cc1ccc(C(=O)OCc2ncccn2)c(O)c1O ZINC000791363933 1162220085 /nfs/dbraw/zinc/22/00/85/1162220085.db2.gz PFJGWEZCMCGGQJ-UHFFFAOYSA-N 0 0 260.249 1.553 10 10 CDCERN CC1(C)C[C@@H](O)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000868163561 1164915462 /nfs/dbraw/zinc/91/54/62/1164915462.db2.gz QHHUSLZJYJQMLV-GFCCVEGCSA-N 0 0 263.341 1.894 10 10 CDCERN CN(C(=O)c1cccc(O)c1O)[C@@H]1CCCCN(C)C1=O ZINC000870603017 1165193715 /nfs/dbraw/zinc/19/37/15/1165193715.db2.gz BXZQFCZIBCIILD-LLVKDONJSA-N 0 0 292.335 1.181 10 10 CDCERN Cc1nccnc1N(C)C(=O)/C=C/c1cccnc1 ZINC001611001837 1165478027 /nfs/dbraw/zinc/47/80/27/1165478027.db2.gz KPQCTGOSSPIELX-AATRIKPKSA-N 0 0 254.293 1.856 10 10 CDCERN CO[C@H](C)[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001625251932 1165894767 /nfs/dbraw/zinc/89/47/67/1165894767.db2.gz CDLMKQBRWPNTIX-DTWKUNHWSA-N 0 0 253.298 1.180 10 10 CDCERN Cc1cnccc1CC(=O)NCc1ccc(O)cc1O ZINC001630307618 1166198835 /nfs/dbraw/zinc/19/88/35/1166198835.db2.gz XKMRRTQKIVOXIH-UHFFFAOYSA-N 0 0 272.304 1.660 10 10 CDCERN O=C(NCc1ccc2cccnc2c1O)c1cnsn1 ZINC001630527771 1166213766 /nfs/dbraw/zinc/21/37/66/1166213766.db2.gz NGWWUZAQOLZPFA-UHFFFAOYSA-N 0 0 286.316 1.722 10 10 CDCERN Cc1ncccc1C(=O)NCc1cccc(O)c1O ZINC001633508211 1166429113 /nfs/dbraw/zinc/42/91/13/1166429113.db2.gz LUQLRZVNMZKXKB-UHFFFAOYSA-N 0 0 258.277 1.731 10 10 CDCERN Cc1ccc(C(=O)N2CC[C@H](c3cnccn3)C2)c(O)c1O ZINC001635793033 1166623332 /nfs/dbraw/zinc/62/33/32/1166623332.db2.gz ZNFVVZULVWWRCR-NSHDSACASA-N 0 0 299.330 1.826 10 10 CDCERN CC[C@@H]1CC[C@@H](C(=O)NCc2c(O)cccc2O)O1 ZINC001635847023 1166628223 /nfs/dbraw/zinc/62/82/23/1166628223.db2.gz GERPICOPULUDNO-RNCFNFMXSA-N 0 0 265.309 1.672 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCC[C@@H]1CO ZINC001636631181 1166687960 /nfs/dbraw/zinc/68/79/60/1166687960.db2.gz FQNANKATESVQAE-ONYUAGEFSA-N 0 0 277.320 1.388 10 10 CDCERN O=C(NCc1cccc(O)c1O)c1ccc(O)c(F)c1 ZINC001637045845 1166719170 /nfs/dbraw/zinc/71/91/70/1166719170.db2.gz JWCMOYOUQKNCQA-UHFFFAOYSA-N 0 0 277.251 1.873 10 10 CDCERN Nc1c(F)cc(F)cc1C(=O)NCc1cccc(O)c1O ZINC001637045892 1166719586 /nfs/dbraw/zinc/71/95/86/1166719586.db2.gz MGQPNUAAHYUDBF-UHFFFAOYSA-N 0 0 294.257 1.888 10 10 CDCERN Cn1cnc(/C=C\C(=O)NCc2cccc(O)c2O)c1 ZINC001637046615 1166719795 /nfs/dbraw/zinc/71/97/95/1166719795.db2.gz VFWWLWNFLMOEIA-WAYWQWQTSA-N 0 0 273.292 1.161 10 10 CDCERN O=C(/C=C\[C@H]1CCOC1)NCc1cc(O)ccc1O ZINC001637125680 1166726237 /nfs/dbraw/zinc/72/62/37/1166726237.db2.gz BOXJOXZOSMWEDX-GZXOQBQISA-N 0 0 263.293 1.307 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1cnn2ncccc12 ZINC001638351902 1166839789 /nfs/dbraw/zinc/83/97/89/1166839789.db2.gz HQSOWBMVXWHWOZ-UHFFFAOYSA-N 0 0 284.275 1.071 10 10 CDCERN Cc1ccc(C(=O)N2CC[C@@H](CO)[C@@H]2C)c(O)c1O ZINC001639621050 1166956726 /nfs/dbraw/zinc/95/67/26/1166956726.db2.gz UIXIYUYCHNEWGE-UWVGGRQHSA-N 0 0 265.309 1.249 10 10 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C[C@H]1C(=O)N(C)CN1Cc1cc2c(cc1O)CCCC2 ZINC000842646443 915498367 /nfs/dbraw/zinc/49/83/67/915498367.db2.gz GTANOXCOMGVFNN-NSHDSACASA-N 0 0 274.364 1.891 10 10 CDCERN Nc1ccc(CC(=O)NCCNC(=O)c2ccccc2)cc1 ZINC000238112777 915542092 /nfs/dbraw/zinc/54/20/92/915542092.db2.gz BFZGVOAYYBDFDF-UHFFFAOYSA-N 0 0 297.358 1.358 10 10 CDCERN C/C(=C\C(=O)N1C[C@@H](O)Cc2ccccc21)c1cnccn1 ZINC001139500042 936626149 /nfs/dbraw/zinc/62/61/49/936626149.db2.gz IAHSQTPHUGZRQP-BCNIOPEESA-N 0 0 295.342 1.830 10 10 CDCERN CC[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)C(F)F ZINC000833671924 936647623 /nfs/dbraw/zinc/64/76/23/936647623.db2.gz UIDKKMAOEYSGAS-HTRCEHHLSA-N 0 0 265.281 1.588 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NCc1ncccc1F ZINC001139955144 936661608 /nfs/dbraw/zinc/66/16/08/936661608.db2.gz KEOPOHFLYOTKDL-UHFFFAOYSA-N 0 0 276.267 1.491 10 10 CDCERN C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc(O)c1O ZINC000399273429 936714156 /nfs/dbraw/zinc/71/41/56/936714156.db2.gz XGGQLYHCXXIMNU-RKDXNWHRSA-N 0 0 251.282 1.083 10 10 CDCERN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(=O)NC ZINC000700477810 922227508 /nfs/dbraw/zinc/22/75/08/922227508.db2.gz MFSBPPYGBLACAE-KWQFWETISA-N 0 0 254.305 1.707 10 10 CDCERN CC(=O)N1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000700764598 922277691 /nfs/dbraw/zinc/27/76/91/922277691.db2.gz FOQVVUIRQBHABF-UHFFFAOYSA-N 0 0 284.306 1.771 10 10 CDCERN C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703275290 922682512 /nfs/dbraw/zinc/68/25/12/922682512.db2.gz RQKMFRIKGKJLOM-BWKAKNAASA-N 0 0 263.309 1.527 10 10 CDCERN CO[C@@](C)(CO)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703418459 922704380 /nfs/dbraw/zinc/70/43/80/922704380.db2.gz ZGUKDOMBOXCEGJ-GFCCVEGCSA-N 0 0 261.268 1.157 10 10 CDCERN CN1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2[O-])C1=O ZINC000703541198 922737252 /nfs/dbraw/zinc/73/72/52/922737252.db2.gz LYRIVQLPLPGHOZ-JTQLQIEISA-N 0 0 270.279 1.333 10 10 CDCERN C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703541757 922738002 /nfs/dbraw/zinc/73/80/02/922738002.db2.gz 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/nfs/dbraw/zinc/91/21/48/928912148.db2.gz RIJCPPINDBEGTB-UHFFFAOYSA-N 0 0 294.307 1.981 10 10 CDCERN CC(=O)C(=O)COC(=O)C1CCc2ccccc2CC1 ZINC000859821607 929075094 /nfs/dbraw/zinc/07/50/94/929075094.db2.gz SGXZVRLCEKSCCF-UHFFFAOYSA-N 0 0 274.316 1.883 10 10 CDCERN COCC1(CNC(=O)c2cccc(O)c2O)CC1 ZINC000691842208 929243030 /nfs/dbraw/zinc/24/30/30/929243030.db2.gz BTGFRJHXUHSGQT-UHFFFAOYSA-N 0 0 251.282 1.254 10 10 CDCERN Nc1ccc(NC(=O)C(=O)NCC[C@H]2CCCOC2)cc1 ZINC000861508438 929301564 /nfs/dbraw/zinc/30/15/64/929301564.db2.gz PMGVFUDAKWWBJP-LLVKDONJSA-N 0 0 291.351 1.140 10 10 CDCERN O=C(CN1CCCC1=O)NCc1ccc2cccnc2c1O ZINC000862028544 929370520 /nfs/dbraw/zinc/37/05/20/929370520.db2.gz CJALTAUIVBMIPT-UHFFFAOYSA-N 0 0 299.330 1.179 10 10 CDCERN Cc1ccc(O)c(CNC(=O)COCC(F)F)c1 ZINC000862754031 929463573 /nfs/dbraw/zinc/46/35/73/929463573.db2.gz OUDJZRRQOWTESE-UHFFFAOYSA-N 0 0 259.252 1.599 10 10 CDCERN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3nc[nH]c3C2)c1 ZINC000862754757 929465334 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CCN(C[C@H]1CCOC1)C(=O)Cc1ccc(O)c(O)c1 ZINC001136431918 931033830 /nfs/dbraw/zinc/03/38/30/931033830.db2.gz WGJZQFQWSNCCQO-GFCCVEGCSA-N 0 0 279.336 1.525 10 10 CDCERN O=C(/C=C\[C@H]1CCCO1)OCC(=O)c1ccc(O)c(O)c1 ZINC000821417021 931049127 /nfs/dbraw/zinc/04/91/27/931049127.db2.gz MFUSYSZNKGDPGC-VLWUPBBWSA-N 0 0 292.287 1.559 10 10 CDCERN CC[C@@H](O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000822197325 931134883 /nfs/dbraw/zinc/13/48/83/931134883.db2.gz WHNCONNJOVPGEF-CQSZACIVSA-N 0 0 292.379 1.505 10 10 CDCERN CC[C@H](O)CC(=O)NCCCSc1nccs1 ZINC000823298560 931292418 /nfs/dbraw/zinc/29/24/18/931292418.db2.gz WBQURHQBMKJOMQ-VIFPVBQESA-N 0 0 274.411 1.903 10 10 CDCERN Cc1nc(CNC(=O)c2cccc(O)c2O)[nH]c1C ZINC001137260394 931396877 /nfs/dbraw/zinc/39/68/77/931396877.db2.gz FHBNWTTUZUKUHD-UHFFFAOYSA-N 0 0 261.281 1.368 10 10 CDCERN COc1c([O-])c(C[NH2+][C@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000824625618 931476456 /nfs/dbraw/zinc/47/64/56/931476456.db2.gz LPZWNRONOSXJTQ-NSHDSACASA-N 0 0 296.323 1.966 10 10 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CDCERN Cc1cnc2cc(C(=O)NCc3ccc(O)c(O)c3)ccn12 ZINC001137443555 936599926 /nfs/dbraw/zinc/59/99/26/936599926.db2.gz UCYICORHTYJDRO-UHFFFAOYSA-N 0 0 297.314 1.984 10 10 CDCERN Cc1cnn(C)c1C(=O)NCc1ccc2cccnc2c1O ZINC001142731132 937060009 /nfs/dbraw/zinc/06/00/09/937060009.db2.gz LBYGWXRAFVLEJZ-UHFFFAOYSA-N 0 0 296.330 1.912 10 10 CDCERN COC(=O)[C@@H](NCc1cc(F)ccc1O)c1ccnn1C ZINC000843429804 937149341 /nfs/dbraw/zinc/14/93/41/937149341.db2.gz IBTYRIMMAZUQEE-ZDUSSCGKSA-N 0 0 293.298 1.269 10 10 CDCERN CCN1OC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000851949344 927670151 /nfs/dbraw/zinc/67/01/51/927670151.db2.gz CXSKWFBRXKJWFB-RISCZKNCSA-N 0 0 277.368 1.566 10 10 CDCERN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)Cn1ccnc1 ZINC001136893172 931454236 /nfs/dbraw/zinc/45/42/36/931454236.db2.gz ORJNJUYBTURTID-NSHDSACASA-N 0 0 289.335 1.289 10 10 CDCERN Nc1ccc(OCc2cn(C3CC(O)C3)nn2)cc1 ZINC001118978042 937683597 /nfs/dbraw/zinc/68/35/97/937683597.db2.gz CZUQRBZBFWKDNY-UHFFFAOYSA-N 0 0 260.297 1.135 10 10 CDCERN 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O=C(NCc1c(O)cccc1O)c1ccnn1C1CCC1 ZINC001456319162 968932844 /nfs/dbraw/zinc/93/28/44/968932844.db2.gz PYIQUKHCBWANNI-UHFFFAOYSA-N 0 0 287.319 1.949 10 10 CDCERN COC(=O)c1cnc(NCc2cc(O)ccc2O)nc1 ZINC001458570774 969316615 /nfs/dbraw/zinc/31/66/15/969316615.db2.gz IXRPVKNSFLBOEE-UHFFFAOYSA-N 0 0 275.264 1.287 10 10 CDCERN Cn1cnc(/C=C\C(=O)N2CCOc3ncccc32)c1 ZINC001516235360 969935092 /nfs/dbraw/zinc/93/50/92/969935092.db2.gz BWARQNHYPUHODA-PLNGDYQASA-N 0 0 270.292 1.254 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCn2cncc21 ZINC001470554873 970343803 /nfs/dbraw/zinc/34/38/03/970343803.db2.gz PQKDVRNHEBDLHB-MORRKMRCSA-N 0 0 285.303 1.569 10 10 CDCERN CCOc1cc(C(=O)NCc2cccc(O)c2O)[nH]n1 ZINC001471641902 970448747 /nfs/dbraw/zinc/44/87/47/970448747.db2.gz AFMFLWKACWJZAZ-UHFFFAOYSA-N 0 0 277.280 1.150 10 10 CDCERN CC(C)(C)[C@@H](NC(N)=O)C(=O)NCc1c(O)cccc1F ZINC001471975644 970527010 /nfs/dbraw/zinc/52/70/10/970527010.db2.gz BGXDHTUBXNRLGO-NSHDSACASA-N 0 0 297.330 1.231 10 10 CDCERN 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O=C1NC(=S)S/C1=C\c1c(O)cc(O)cc1O ZINC000575327298 364008565 /nfs/dbraw/zinc/00/85/65/364008565.db2.gz RIMKVPJFYKAKRX-BAQGIRSFSA-N 0 0 269.303 1.292 10 10 CDCERN CN(CC(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000121384660 390884980 /nfs/dbraw/zinc/88/49/80/390884980.db2.gz CNUWDUAPPAUMHG-UHFFFAOYSA-N 0 0 264.325 1.766 10 10 CDCERN NC(=O)c1ccc(OCC(=O)Nc2ccc(N)cc2)cc1 ZINC000020296665 171137074 /nfs/dbraw/zinc/13/70/74/171137074.db2.gz SOEAVIXJCKBGEN-UHFFFAOYSA-N 0 0 285.303 1.385 10 10 CDCERN Cc1n[nH]c(C)c1NC(=O)COc1ccc(N)cc1 ZINC000038055454 174066734 /nfs/dbraw/zinc/06/67/34/174066734.db2.gz BXPMFGGXTBIFHW-UHFFFAOYSA-N 0 0 260.297 1.626 10 10 CDCERN [NH3+][C@@H](CO)c1cc(Cl)c(Br)cc1[O-] ZINC000072199419 176340336 /nfs/dbraw/zinc/34/03/36/176340336.db2.gz XSYWUEQKFHJETP-ZETCQYMHSA-N 0 0 266.522 1.800 10 10 CDCERN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCC1=O ZINC000295664638 300182282 /nfs/dbraw/zinc/18/22/82/300182282.db2.gz FLCJOBWDSLBIIR-ZETCQYMHSA-N 0 0 267.256 1.288 10 10 CDCERN CN1CCO[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000190960418 329403569 /nfs/dbraw/zinc/40/35/69/329403569.db2.gz ICZLDLACIILEHE-VIFPVBQESA-N 0 0 288.750 1.605 10 10 CDCERN O=C(N[C@H]1CCO[C@H]1C1CC1)c1cccc(O)c1O ZINC000229416902 333304879 /nfs/dbraw/zinc/30/48/79/333304879.db2.gz REVMKEFHJHHDQJ-GWCFXTLKSA-N 0 0 263.293 1.395 10 10 CDCERN Cc1cc(N(C)C)ccc1CNC(=O)N1CC(CO)C1 ZINC000790376227 1162147603 /nfs/dbraw/zinc/14/76/03/1162147603.db2.gz PUUMAZFSKJKJJQ-UHFFFAOYSA-N 0 0 277.368 1.195 10 10 CDCERN CC(C)NC(=O)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000135887979 519703655 /nfs/dbraw/zinc/70/36/55/519703655.db2.gz PCIHHZKXPCIOLD-UHFFFAOYSA-N 0 0 254.305 1.536 10 10 CDCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289574243 522135753 /nfs/dbraw/zinc/13/57/53/522135753.db2.gz BCIRCIUWQSQEMK-SNVBAGLBSA-N 0 0 289.335 1.795 10 10 CDCERN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000289709058 523431707 /nfs/dbraw/zinc/43/17/07/523431707.db2.gz FFTFXDYKARLGIN-BDAKNGLRSA-N 0 0 254.286 1.813 10 10 CDCERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(F)cc1[O-] ZINC000084059713 525602765 /nfs/dbraw/zinc/60/27/65/525602765.db2.gz NOGBYOKOCHYLBA-ONGXEEELSA-N 0 0 266.316 1.803 10 10 CDCERN CC[S@](=O)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000734512373 575353480 /nfs/dbraw/zinc/35/34/80/575353480.db2.gz IHDRJRCKGKIJHB-FQEVSTJZSA-N 0 0 297.424 1.320 10 10 CDCERN CNS(=O)(=O)CCCSc1nccs1 ZINC000730730982 575002561 /nfs/dbraw/zinc/00/25/61/575002561.db2.gz FQWFAGCHYDUVND-UHFFFAOYSA-N 0 0 252.386 1.175 10 10 CDCERN O=C(C1=CC(=O)CS1)N1CCN(C2CC2)CC1 ZINC000732278394 575084672 /nfs/dbraw/zinc/08/46/72/575084672.db2.gz KWKHZBVYJYMJEK-UHFFFAOYSA-N 0 0 252.339 1.374 10 10 CDCERN C[C@H](C(=O)NCc1ccccc1O)c1cncnc1 ZINC000774065449 575850302 /nfs/dbraw/zinc/85/03/02/575850302.db2.gz NPZDRIXRTJNXDB-JTQLQIEISA-N 0 0 257.293 1.602 10 10 CDCERN C[C@@H](CCNC(=O)NCc1ccccc1O)[S@](C)=O ZINC000765977421 576068493 /nfs/dbraw/zinc/06/84/93/576068493.db2.gz WNWCJXYAQHACII-OVWNDWIMSA-N 0 0 284.381 1.349 10 10 CDCERN Cc1ccccc1C(=O)NCC(=O)NCc1ccccc1O ZINC000748350391 576907534 /nfs/dbraw/zinc/90/75/34/576907534.db2.gz QAMUROSBSYUUIP-UHFFFAOYSA-N 0 0 298.342 1.747 10 10 CDCERN C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756511676 576992917 /nfs/dbraw/zinc/99/29/17/576992917.db2.gz ZNJRJXFWCURGQA-CPCISQLKSA-N 0 0 270.279 1.600 10 10 CDCERN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(F)cc(F)c1[O-] ZINC000756594900 576997135 /nfs/dbraw/zinc/99/71/35/576997135.db2.gz PZYHIRGLDDSXDS-WPRPVWTQSA-N 0 0 284.306 1.942 10 10 CDCERN CC(C)OC[C@H](O)COC(=O)c1cccc(O)c1O ZINC000758546689 577115912 /nfs/dbraw/zinc/11/59/12/577115912.db2.gz IERQUCIMEHGPCI-VIFPVBQESA-N 0 0 270.281 1.041 10 10 CDCERN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cnn1 ZINC000787132347 618371235 /nfs/dbraw/zinc/37/12/35/618371235.db2.gz YZXQHZFWDYYFGQ-UHFFFAOYSA-N 0 0 273.292 1.169 10 10 CDCERN COCC[C@H](COC)NC(=O)NCCc1ccc(N)cc1 ZINC000841914677 620485833 /nfs/dbraw/zinc/48/58/33/620485833.db2.gz TVZLPGRGHUSAPG-CQSZACIVSA-N 0 0 295.383 1.162 10 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O=C(NCc1c(O)cccc1F)c1cc[n+]([O-])cc1 ZINC001456086664 968861535 /nfs/dbraw/zinc/86/15/35/968861535.db2.gz GIHDYZCNBQRQMA-UHFFFAOYSA-N 0 0 262.240 1.095 10 10 CDCERN CCCCO[C@H](C)C(=O)NCc1c(O)cccc1O ZINC001456238567 968915365 /nfs/dbraw/zinc/91/53/65/968915365.db2.gz ZOFQKSDJBURYIK-SNVBAGLBSA-N 0 0 267.325 1.919 10 10 CDCERN Cc1nnc2c(N3Cc4cccc(O)c4C3)nccn12 ZINC001458547195 969313321 /nfs/dbraw/zinc/31/33/21/969313321.db2.gz UXNYAJIHBDZGMM-UHFFFAOYSA-N 0 0 267.292 1.659 10 10 CDCERN Cc1ccc(N(C)C(=O)/C=C\c2cn(C)cn2)nn1 ZINC001532302655 969332866 /nfs/dbraw/zinc/33/28/66/969332866.db2.gz MUCDHVQNXVKCIQ-ALCCZGGFSA-N 0 0 257.297 1.195 10 10 CDCERN Cc1csc(CCNC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001463534524 969740318 /nfs/dbraw/zinc/74/03/18/969740318.db2.gz IUXZETMHKIWMJX-UHFFFAOYSA-N 0 0 292.360 1.764 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)Nc1cnc(C2CC2)nc1 ZINC001464799477 969818159 /nfs/dbraw/zinc/81/81/59/969818159.db2.gz UTUXWXRHDRCUBR-UHFFFAOYSA-N 0 0 285.303 1.946 10 10 CDCERN Cc1c[nH]c(NC(=O)C=Cc2ccc(O)c(O)c2)n1 ZINC001465847490 969901480 /nfs/dbraw/zinc/90/14/80/969901480.db2.gz ILELSBAMQNFCFV-HYXAFXHYSA-N 0 0 259.265 1.781 10 10 CDCERN Cc1coc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001465981419 969911461 /nfs/dbraw/zinc/91/14/61/969911461.db2.gz NXUUUWUSWAGMBT-UHFFFAOYSA-N 0 0 261.277 1.972 10 10 CDCERN O=C(CCc1ccon1)NCc1ccc(O)cc1O ZINC001469159760 970228210 /nfs/dbraw/zinc/22/82/10/970228210.db2.gz NBUGTFOSEJFDNW-UHFFFAOYSA-N 0 0 262.265 1.335 10 10 CDCERN Cc1c[nH]c(CNC(=O)c2ccc(C)c(O)c2O)n1 ZINC001470654459 970358660 /nfs/dbraw/zinc/35/86/60/970358660.db2.gz ZKTJBJSWMAXXTH-UHFFFAOYSA-N 0 0 261.281 1.368 10 10 CDCERN CCc1nnc(C(=O)NCc2cccc(O)c2O)s1 ZINC001521852305 970366975 /nfs/dbraw/zinc/36/69/75/970366975.db2.gz ULIGXHRMYAEXSE-UHFFFAOYSA-N 0 0 279.321 1.442 10 10 CDCERN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1c(O)cccc1O ZINC001472063556 970558641 /nfs/dbraw/zinc/55/86/41/970558641.db2.gz MOFRTYWLBODMAC-NXEZZACHSA-N 0 0 277.320 1.719 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@]12CCOC2 ZINC001570441336 1170159953 /nfs/dbraw/zinc/15/99/53/1170159953.db2.gz ZTKYKHMHYQCNMA-AWEZNQCLSA-N 0 0 263.293 1.032 10 10 CDCERN Cn1cc([N+](=O)[O-])c(NCc2c(O)cccc2F)n1 ZINC001652252608 1171412620 /nfs/dbraw/zinc/41/26/20/1171412620.db2.gz NZOWGGGDCUWRHU-UHFFFAOYSA-N 0 0 266.232 1.785 10 10 CDCERN CC(=O)[C@H](N=Nc1cn[nH]c1)C(=O)OC(C)(C)C ZINC000616220959 342186826 /nfs/dbraw/zinc/18/68/26/342186826.db2.gz RIJXCPDUFMYPBQ-VIFPVBQESA-N 0 0 252.274 1.793 10 10 CDCERN COC(=O)/C=C/c1ccc(N(C)CCO)c([N+](=O)[O-])c1 ZINC000073935030 342188260 /nfs/dbraw/zinc/18/82/60/342188260.db2.gz UTOBVOLLYLJBNM-GQCTYLIASA-N 0 0 280.280 1.210 10 10 CDCERN COc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000014775132 366179872 /nfs/dbraw/zinc/17/98/72/366179872.db2.gz ZMPLLBBFALVVAF-UHFFFAOYSA-N 0 0 270.240 1.882 10 10 CDCERN COc1ccc(N2CCN(C3CN(C(C)=O)C3)CC2)cc1 ZINC000035635557 356842543 /nfs/dbraw/zinc/84/25/43/356842543.db2.gz QYNXRZLQTYRKBI-UHFFFAOYSA-N 0 0 289.379 1.048 10 10 CDCERN [O-]c1c(F)cccc1C[NH2+]C1(CO)CCOCC1 ZINC000226608786 359703662 /nfs/dbraw/zinc/70/36/62/359703662.db2.gz PXJJFSPHKDZCDB-UHFFFAOYSA-N 0 0 255.289 1.162 10 10 CDCERN C[C@@H](CC[S@](C)=O)[NH2+]Cc1cccc(F)c1[O-] ZINC000166138885 360051874 /nfs/dbraw/zinc/05/18/74/360051874.db2.gz AQQGYMYXGMBGOL-HUTHGQBESA-N 0 0 259.346 1.778 10 10 CDCERN CN(C)c1ccc(CNS(=O)(=O)CC2CC2)cc1F ZINC000267232008 363770796 /nfs/dbraw/zinc/77/07/96/363770796.db2.gz RRNMFNVBONTAQS-UHFFFAOYSA-N 0 0 286.372 1.721 10 10 CDCERN [O-]c1c(Cl)cccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000375238875 370800289 /nfs/dbraw/zinc/80/02/89/370800289.db2.gz SEBPMOJJBSCXPF-GFCCVEGCSA-N 0 0 282.771 1.562 10 10 CDCERN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cccc(O)c1O ZINC000529974793 368101509 /nfs/dbraw/zinc/10/15/09/368101509.db2.gz CWHSMLFRBPOHGK-SREGZZRCSA-N 0 0 265.309 1.640 10 10 CDCERN COc1ccc(O)c(CNC(=O)[C@H]2CCCOCC2)c1 ZINC000375749545 370951590 /nfs/dbraw/zinc/95/15/90/370951590.db2.gz OSRLQXCADUEDTC-NSHDSACASA-N 0 0 279.336 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277.368 1.138 10 10 CDCERN Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 ZINC000038055435 174066967 /nfs/dbraw/zinc/06/69/67/174066967.db2.gz BDZBZOSFQUVJQZ-UHFFFAOYSA-N 0 0 273.317 1.917 10 10 CDCERN C[C@H](c1ccccc1O)N(C)C(=O)Cn1cncn1 ZINC000038089709 174102948 /nfs/dbraw/zinc/10/29/48/174102948.db2.gz OCKJEJYBMSHXIQ-SNVBAGLBSA-N 0 0 260.297 1.203 10 10 CDCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000162978161 261300613 /nfs/dbraw/zinc/30/06/13/261300613.db2.gz UWECCBGHGGDMCW-LBPRGKRZSA-N 0 0 291.351 1.154 10 10 CDCERN CN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180741354 261872428 /nfs/dbraw/zinc/87/24/28/261872428.db2.gz RQAOVNBSXYKGRP-HOSRBBHYSA-N 0 0 277.320 1.748 10 10 CDCERN [NH3+][C@H](CO)c1ccc(Br)c(F)c1[O-] ZINC000072199094 303481018 /nfs/dbraw/zinc/48/10/18/303481018.db2.gz AQWIEFSGDGJBHG-ZCFIWIBFSA-N 0 0 250.067 1.286 10 10 CDCERN Cc1noc([C@@H]2COCCN2Cc2cccc(C)c2O)n1 ZINC000188484381 329369146 /nfs/dbraw/zinc/36/91/46/329369146.db2.gz PZAOYSYIKSPWJW-ZDUSSCGKSA-N 0 0 289.335 1.966 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CDCERN OCc1nnc2n1CCN(Cc1c(O)cccc1Cl)C2 ZINC000769518237 575355743 /nfs/dbraw/zinc/35/57/43/575355743.db2.gz YPLDDFHZWTUUPO-UHFFFAOYSA-N 0 0 294.742 1.145 10 10 CDCERN COC(=O)CN(C(=O)/C=C/c1cnccn1)c1ccccc1 ZINC000736032681 575552429 /nfs/dbraw/zinc/55/24/29/575552429.db2.gz HIBYBWRNUDRLCC-BQYQJAHWSA-N 0 0 297.314 1.696 10 10 CDCERN CCN1CC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O ZINC000761360211 576572250 /nfs/dbraw/zinc/57/22/50/576572250.db2.gz JUPXLAOAAGLFQF-UHFFFAOYSA-N 0 0 285.347 1.847 10 10 CDCERN CCOc1cccc(CN2CCO[C@@H]([C@@H](C)O)C2)c1O ZINC000840976306 617977996 /nfs/dbraw/zinc/97/79/96/617977996.db2.gz DGJMPORCRRFYRK-BXUZGUMPSA-N 0 0 281.352 1.373 10 10 CDCERN COc1ccc(O)c([C@@H](C)NC(=O)c2cnnc(C)c2)c1 ZINC000787132299 618370258 /nfs/dbraw/zinc/37/02/58/618370258.db2.gz YBDDSHZBHYMIOK-SNVBAGLBSA-N 0 0 287.319 1.990 10 10 CDCERN Cc1cc(N(C)C)ccc1CN[C@@H](C)C1N=NC(=O)N1C ZINC000895171602 619408532 /nfs/dbraw/zinc/40/85/32/619408532.db2.gz KDGUOFXHBXZETG-NSHDSACASA-N 0 0 289.383 1.746 10 10 CDCERN COc1ccc(CN[C@@H](C)C2N=NC(=O)N2C)cc1C ZINC000895183898 619436236 /nfs/dbraw/zinc/43/62/36/619436236.db2.gz MENZSRVDUCXZPN-JTQLQIEISA-N 0 0 276.340 1.689 10 10 CDCERN CC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928711539 620506529 /nfs/dbraw/zinc/50/65/29/620506529.db2.gz INGXBQQOXBLLBV-NSHDSACASA-N 0 0 298.339 1.069 10 10 CDCERN CCOC(=O)/C(=C\c1cnc(Cl)n1C)c1nccn1C ZINC000901464444 624281308 /nfs/dbraw/zinc/28/13/08/624281308.db2.gz JCBSKVGXMUZGPI-YFHOEESVSA-N 0 0 294.742 1.911 10 10 CDCERN C[C@]1(C(=O)NCc2ccc(O)cc2O)CCCO1 ZINC000910950511 629114759 /nfs/dbraw/zinc/11/47/59/629114759.db2.gz GLYMQJWANOEMLI-CYBMUJFWSA-N 0 0 251.282 1.283 10 10 CDCERN CC(C)(C)C[C@H](O)CC(=O)NCc1ccc(O)cc1O ZINC000910945425 629125773 /nfs/dbraw/zinc/12/57/73/629125773.db2.gz VXUKHMADRHLKEJ-GFCCVEGCSA-N 0 0 281.352 1.901 10 10 CDCERN Cc1ccc(C(=O)NCC(C)(C)n2cccn2)c(O)c1O ZINC000912623871 630092352 /nfs/dbraw/zinc/09/23/52/630092352.db2.gz IVMQJZLYTSKMLW-UHFFFAOYSA-N 0 0 289.335 1.768 10 10 CDCERN CC(=O)C(=O)COC(=O)Cc1c(C)cc(C)cc1C ZINC000808533177 1162872626 /nfs/dbraw/zinc/87/26/26/1162872626.db2.gz HIDOTTARSPPSOJ-UHFFFAOYSA-N 0 0 262.305 1.856 10 10 CDCERN Cc1nn(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1C ZINC001625777539 1158445815 /nfs/dbraw/zinc/44/58/15/1158445815.db2.gz SUKDCNDLDZSATC-UHFFFAOYSA-N 0 0 275.308 1.629 10 10 CDCERN Cc1cn(C)nc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001624955044 1165876818 /nfs/dbraw/zinc/87/68/18/1165876818.db2.gz PUOTXZCMYCPFIK-SNVBAGLBSA-N 0 0 289.335 1.501 10 10 CDCERN CCOC(=O)C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001625152356 1165890076 /nfs/dbraw/zinc/89/00/76/1165890076.db2.gz OERNWTUBXYGROT-VIFPVBQESA-N 0 0 281.308 1.098 10 10 CDCERN O=C(NCc1ccc(O)cc1O)c1ncc(Cl)cn1 ZINC001630307608 1166198433 /nfs/dbraw/zinc/19/84/33/1166198433.db2.gz XBVJCCMOMRATOK-UHFFFAOYSA-N 0 0 279.683 1.471 10 10 CDCERN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCC1=O ZINC001633228586 1166410521 /nfs/dbraw/zinc/41/05/21/1166410521.db2.gz VBHOUVUIGABDML-OKPNEXGHSA-N 0 0 275.304 1.596 10 10 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C[C@H](O)[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000840977676 829739642 /nfs/dbraw/zinc/73/96/42/829739642.db2.gz IYZPSYYOWCFCLC-TVQRCGJNSA-N 0 0 271.744 1.627 10 10 CDCERN O=C(CCCCO)NCc1ccc2cccnc2c1O ZINC000868937299 829821502 /nfs/dbraw/zinc/82/15/02/829821502.db2.gz IEAFLHDRBTWVKA-UHFFFAOYSA-N 0 0 274.320 1.719 10 10 CDCERN CC(C)CN(C)S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867690197 829846667 /nfs/dbraw/zinc/84/66/67/829846667.db2.gz CJDWAZSKWGQWCL-UHFFFAOYSA-N 0 0 284.381 1.540 10 10 CDCERN Nc1n[nH]c(C2CCN(C(=O)C3=CC(=O)CS3)CC2)n1 ZINC000854504759 829950828 /nfs/dbraw/zinc/95/08/28/829950828.db2.gz FISNFTNBFVLGSS-UHFFFAOYSA-N 0 0 293.352 1.174 10 10 CDCERN C[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703261950 833583424 /nfs/dbraw/zinc/58/34/24/833583424.db2.gz ORKWDOVJEGCRLZ-ZDUSSCGKSA-N 0 0 257.280 1.921 10 10 CDCERN CN1CCO[C@@H](C[N@H+](C)Cc2cc(F)cc(F)c2[O-])C1 ZINC000708412351 830021315 /nfs/dbraw/zinc/02/13/15/830021315.db2.gz HGCIFNHNRSEFRP-GFCCVEGCSA-N 0 0 286.322 1.433 10 10 CDCERN CCc1ccc(C(=O)OCC(=O)C(C)=O)c(O)c1 ZINC000808539955 830028245 /nfs/dbraw/zinc/02/82/45/830028245.db2.gz MTGKRJUJEBQTQN-UHFFFAOYSA-N 0 0 250.250 1.270 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 ZINC000808523914 830265484 /nfs/dbraw/zinc/26/54/84/830265484.db2.gz XKBHUYXGNWOATB-BMIGLBTASA-N 0 0 278.304 1.242 10 10 CDCERN CC[C@@H](C)OCC(=O)NCc1c(O)cccc1F ZINC000928705822 830301073 /nfs/dbraw/zinc/30/10/73/830301073.db2.gz NVQDJVRTKVPMAO-SECBINFHSA-N 0 0 255.289 1.963 10 10 CDCERN CC(=O)C(=O)COC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000808503210 830388324 /nfs/dbraw/zinc/38/83/24/830388324.db2.gz HJEOHADPDOMUFC-UHFFFAOYSA-N 0 0 278.260 1.422 10 10 CDCERN COC(=O)[C@](C)(CCF)NCc1cccc(OC)c1O ZINC000827353079 830595426 /nfs/dbraw/zinc/59/54/26/830595426.db2.gz YCKIPVXGSUOSPI-AWEZNQCLSA-N 0 0 285.315 1.782 10 10 CDCERN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000830140444 830679448 /nfs/dbraw/zinc/67/94/48/830679448.db2.gz DDIPDOZCBBNPQE-LBPRGKRZSA-N 0 0 291.351 1.154 10 10 CDCERN COCCN1CCN(C(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC000855029047 832093613 /nfs/dbraw/zinc/09/36/13/832093613.db2.gz DHLONHJGNFYBEE-UHFFFAOYSA-N 0 0 298.408 1.637 10 10 CDCERN CCN1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O ZINC000928711554 832137872 /nfs/dbraw/zinc/13/78/72/832137872.db2.gz IRFSSWSONDNTMK-SECBINFHSA-N 0 0 280.299 1.016 10 10 CDCERN O=C(C1=CC(=O)CS1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863234512 832245388 /nfs/dbraw/zinc/24/53/88/832245388.db2.gz XZTLKNAXLJZPPP-TVQRCGJNSA-N 0 0 267.350 1.688 10 10 CDCERN O=C1C[C@@H](CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CN1 ZINC000922782359 833834067 /nfs/dbraw/zinc/83/40/67/833834067.db2.gz IFAHJJBJIPRRTH-MRVPVSSYSA-N 0 0 286.734 1.801 10 10 CDCERN O=C(NCc1ccccc1O)c1cc2c([nH]1)CCOC2 ZINC000837482016 832344857 /nfs/dbraw/zinc/34/48/57/832344857.db2.gz UIMSPXMKPQOCHR-UHFFFAOYSA-N 0 0 272.304 1.723 10 10 CDCERN COC[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000104900816 833885503 /nfs/dbraw/zinc/88/55/03/833885503.db2.gz QGGRNQVAUXBHMH-VHSXEESVSA-N 0 0 267.325 1.861 10 10 CDCERN Cc1cc(N(C)C)ccc1CNC(=O)CC(F)(F)CN ZINC000846673557 832714676 /nfs/dbraw/zinc/71/46/76/832714676.db2.gz QYIFMNYUGZQTHS-UHFFFAOYSA-N 0 0 285.338 1.661 10 10 CDCERN COCCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000855232521 832741346 /nfs/dbraw/zinc/74/13/46/832741346.db2.gz RLRRVSMFPDNTCX-CYBMUJFWSA-N 0 0 292.379 1.817 10 10 CDCERN CC(=O)C(=O)COC(=O)c1c(C)onc1-c1cccnc1 ZINC000808549779 832832461 /nfs/dbraw/zinc/83/24/61/832832461.db2.gz PXASXGDGWSZFRI-UHFFFAOYSA-N 0 0 288.259 1.360 10 10 CDCERN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])[C@H](C)[NH3+] ZINC000841080122 832852418 /nfs/dbraw/zinc/85/24/18/832852418.db2.gz NFZOHAGRIDASHO-JGVFFNPUSA-N 0 0 273.174 1.980 10 10 CDCERN O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000819169411 832872530 /nfs/dbraw/zinc/87/25/30/832872530.db2.gz INMXEXFHXTXOMP-JJLQDPRZSA-N 0 0 286.331 1.955 10 10 CDCERN COc1ccc(N(C)C[C@@H]2COCCO2)cc1F ZINC000828040811 832959334 /nfs/dbraw/zinc/95/93/34/832959334.db2.gz LUVGUTNEJXOMMX-LLVKDONJSA-N 0 0 255.289 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C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CCOCC1 ZINC000184934347 262034086 /nfs/dbraw/zinc/03/40/86/262034086.db2.gz DPUAIUKDIHZLHY-RYUDHWBXSA-N 0 0 282.359 1.903 10 10 CDCERN CNC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000184682327 262291407 /nfs/dbraw/zinc/29/14/07/262291407.db2.gz HSMXHUIKAKRXJP-LLVKDONJSA-N 0 0 298.770 1.765 10 10 CDCERN [O-]c1c(F)cccc1C[NH2+]CCSCCCO ZINC000226606483 262379454 /nfs/dbraw/zinc/37/94/54/262379454.db2.gz UELQRUIPFZBLOK-UHFFFAOYSA-N 0 0 259.346 1.737 10 10 CDCERN [NH3+][C@H](CO)c1c([O-])c(F)cc(Br)c1F ZINC000072199438 295331913 /nfs/dbraw/zinc/33/19/13/295331913.db2.gz MXCXQWDCBUUKTP-RXMQYKEDSA-N 0 0 268.057 1.425 10 10 CDCERN Cc1ccc(C(=O)N2CC3(C2)CCCOC3)c(O)c1O ZINC000366555266 301496272 /nfs/dbraw/zinc/49/62/72/301496272.db2.gz MCGDLNWTSFBZGQ-UHFFFAOYSA-N 0 0 277.320 1.659 10 10 CDCERN Cn1cc(-c2c[nH]cc2C(=O)N2CCn3nccc32)cn1 ZINC000560819780 327345359 /nfs/dbraw/zinc/34/53/59/327345359.db2.gz JAZDTIWRXDREFT-UHFFFAOYSA-N 0 0 282.307 1.272 10 10 CDCERN 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CDCERN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000820462387 846835518 /nfs/dbraw/zinc/83/55/18/846835518.db2.gz BMORYECMKDUKHR-TXEJJXNPSA-N 0 0 288.307 1.852 10 10 CDCERN CN(C)c1ccc(CNC(=O)Cc2ccon2)cc1 ZINC000154623267 846867685 /nfs/dbraw/zinc/86/76/85/846867685.db2.gz OHHHRABXGIDJAH-UHFFFAOYSA-N 0 0 259.309 1.600 10 10 CDCERN CC(=O)C(=O)COC(=O)CCC(=O)c1ccc(F)cc1F ZINC000808506192 847020213 /nfs/dbraw/zinc/02/02/13/847020213.db2.gz HXXITBQCVYUZBO-UHFFFAOYSA-N 0 0 298.241 1.629 10 10 CDCERN CCC[C@H]1C[C@@H](C(=O)OCC(=O)C(C)=O)CCO1 ZINC000808534783 847067598 /nfs/dbraw/zinc/06/75/98/847067598.db2.gz SBCAYGNDYBFSSJ-QWRGUYRKSA-N 0 0 256.298 1.283 10 10 CDCERN C[C@H](NS(=O)(=O)[C@H]1CCOC1)c1ccccc1O ZINC000867833972 847237457 /nfs/dbraw/zinc/23/74/57/847237457.db2.gz IVFUURPYWBDNDY-UWVGGRQHSA-N 0 0 271.338 1.162 10 10 CDCERN Nc1ccc(NC(=O)C(=O)N[C@]23C[C@H]2CCCC3)cc1 ZINC000868291731 847240673 /nfs/dbraw/zinc/24/06/73/847240673.db2.gz SINUWBYRQTVOGR-MEBBXXQBSA-N 0 0 273.336 1.656 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C[C@@H]1C[C@@H](C(=O)NCc2c(O)cccc2O)CO1 ZINC001178911285 915682189 /nfs/dbraw/zinc/68/21/89/915682189.db2.gz LDGNPFOAIKOQOB-RKDXNWHRSA-N 0 0 251.282 1.139 10 10 CDCERN CN(Cc1ccccc1O)C(=O)Cc1ccc(C(N)=O)nc1 ZINC001137345753 936493969 /nfs/dbraw/zinc/49/39/69/936493969.db2.gz WFQYILFIFBXWMQ-UHFFFAOYSA-N 0 0 299.330 1.087 10 10 CDCERN COc1ccc(CNC(=O)c2cc(C(F)F)n[nH]2)c(O)c1 ZINC001139032902 936590118 /nfs/dbraw/zinc/59/01/18/936590118.db2.gz SWCQOJJFNIVGIA-UHFFFAOYSA-N 0 0 297.261 1.992 10 10 CDCERN Nc1cccnc1C(=O)NCc1ccc(O)c(O)c1 ZINC001137443391 936599919 /nfs/dbraw/zinc/59/99/19/936599919.db2.gz NUFVCIROLPVRIG-UHFFFAOYSA-N 0 0 259.265 1.005 10 10 CDCERN CC(=O)NCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703382595 922699530 /nfs/dbraw/zinc/69/95/30/922699530.db2.gz ODTRUCRUPKUDRC-UHFFFAOYSA-N 0 0 258.268 1.286 10 10 CDCERN CCCOC(=O)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001136688676 931274450 /nfs/dbraw/zinc/27/44/50/931274450.db2.gz GJOHTSIVEDOIFW-UHFFFAOYSA-N 0 0 281.308 1.100 10 10 CDCERN CCN1CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC001136744674 931325383 /nfs/dbraw/zinc/32/53/83/931325383.db2.gz YBMTVTZEEFTVRS-HNNXBMFYSA-N 0 0 275.396 1.771 10 10 CDCERN O=C(NCc1ccc(O)cc1O)C(=O)c1ccc(O)cc1 ZINC001299573536 945558697 /nfs/dbraw/zinc/55/86/97/945558697.db2.gz KTXYRVAOKSFBPZ-UHFFFAOYSA-N 0 0 287.271 1.303 10 10 CDCERN COc1cccc(CNC(=O)NCc2cnccn2)c1O ZINC001256365413 948289196 /nfs/dbraw/zinc/28/91/96/948289196.db2.gz HXKUKHGZYPLRFD-UHFFFAOYSA-N 0 0 288.307 1.190 10 10 CDCERN CCCN(C(=O)c1cccc(O)c1O)[C@@H](C)C(=O)OCC ZINC001297139825 954969732 /nfs/dbraw/zinc/96/97/32/954969732.db2.gz HJJJBBSHYMQLFV-JTQLQIEISA-N 0 0 295.335 1.902 10 10 CDCERN CO[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001298140877 955123481 /nfs/dbraw/zinc/12/34/81/955123481.db2.gz ZDOZFZXRWAUTCY-IINYFYTJSA-N 0 0 279.336 1.524 10 10 CDCERN C[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329362392 955846430 /nfs/dbraw/zinc/84/64/30/955846430.db2.gz XKMDJNUCTQCCPG-JTQLQIEISA-N 0 0 274.320 1.245 10 10 CDCERN 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O=C(NCc1nc(C(F)(F)F)no1)C1=CC(=O)CS1 ZINC001466778257 969996240 /nfs/dbraw/zinc/99/62/40/969996240.db2.gz AMWWRZHNFAGOKN-UHFFFAOYSA-N 0 0 293.226 1.786 10 10 CDCERN CO[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC[C@@H]1C ZINC001466944208 970015918 /nfs/dbraw/zinc/01/59/18/970015918.db2.gz KUMKACIOJJKGCA-HZMBPMFUSA-N 0 0 279.336 1.524 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)NC/C=C/c1cccnc1 ZINC001468548993 970175833 /nfs/dbraw/zinc/17/58/33/970175833.db2.gz UFUWCYJQPZHNHK-DUXPYHPUSA-N 0 0 284.315 1.865 10 10 CDCERN Cc1ccc(O)c(CNC(=O)c2cn[nH]c(=O)c2)c1 ZINC001470254600 970306549 /nfs/dbraw/zinc/30/65/49/970306549.db2.gz JDNBRKVIGWXLTP-UHFFFAOYSA-N 0 0 259.265 1.126 10 10 CDCERN CCCc1nc(C(=O)NCc2c(O)cccc2O)co1 ZINC001472063335 970556900 /nfs/dbraw/zinc/55/69/00/970556900.db2.gz HZVDMKKNHUAOFI-UHFFFAOYSA-N 0 0 276.292 1.968 10 10 CDCERN O=C(/C=C/c1ccc[nH]1)NCc1c(O)cccc1O ZINC001472064025 970557152 /nfs/dbraw/zinc/55/71/52/970557152.db2.gz RXAZQSSGGQDHFL-VOTSOKGWSA-N 0 0 258.277 1.756 10 10 CDCERN 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Cc1cc(CNC(=O)N[C@@H](C)c2ccccc2O)n(C)n1 ZINC000868588909 849478238 /nfs/dbraw/zinc/47/82/38/849478238.db2.gz VENCBGCRBVNRIK-NSHDSACASA-N 0 0 288.351 1.995 10 10 CDCERN CCOC(=O)C(C)(C)C(=O)NCc1c(O)cccc1F ZINC000928705485 849536599 /nfs/dbraw/zinc/53/65/99/849536599.db2.gz KMAXOCSOPQEMDG-UHFFFAOYSA-N 0 0 283.299 1.737 10 10 CDCERN CCN(CC(=O)NC)Cc1c(O)cc(C)cc1Cl ZINC000840911084 849723119 /nfs/dbraw/zinc/72/31/19/849723119.db2.gz WSRAZWRTUDWEGB-UHFFFAOYSA-N 0 0 270.760 1.922 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000849919748 849738599 /nfs/dbraw/zinc/73/85/99/849738599.db2.gz JKWCCVZJBPHIFA-QWHCGFSZSA-N 0 0 276.288 1.118 10 10 CDCERN CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccc(C)c(O)c1O ZINC000921929725 849765132 /nfs/dbraw/zinc/76/51/32/849765132.db2.gz XDDWVRBKACGQET-VXGBXAGGSA-N 0 0 295.335 1.282 10 10 CDCERN Cn1cncc1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204671 849790553 /nfs/dbraw/zinc/79/05/53/849790553.db2.gz OLDQWMICUDQONI-UHFFFAOYSA-N 0 0 257.293 1.211 10 10 CDCERN C[C@@H](NC(=O)NCC1COC1)c1ccc(N(C)C)cc1 ZINC000858368431 849971088 /nfs/dbraw/zinc/97/10/88/849971088.db2.gz KQYVHCPSDKMRJY-LLVKDONJSA-N 0 0 277.368 1.759 10 10 CDCERN CC(=O)C(=O)COC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000796474518 850184010 /nfs/dbraw/zinc/18/40/10/850184010.db2.gz RSOPPHPIJOMILG-ISVAXAHUSA-N 0 0 296.344 1.699 10 10 CDCERN CO[C@@](C)(C(=O)OCC(=O)C(C)=O)c1ccccc1 ZINC000808515495 850254327 /nfs/dbraw/zinc/25/43/27/850254327.db2.gz HVPIRFCTJYUSON-CQSZACIVSA-N 0 0 264.277 1.250 10 10 CDCERN CN(C)c1cc(F)c(CN2CCNC(=O)CC2)cc1F ZINC000862238667 850264521 /nfs/dbraw/zinc/26/45/21/850264521.db2.gz DZCOAQZEZZOVFA-UHFFFAOYSA-N 0 0 283.322 1.353 10 10 CDCERN C[S@](=O)C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703330352 850282583 /nfs/dbraw/zinc/28/25/83/850282583.db2.gz WSEZGFBVHCRMJE-SFHVURJKSA-N 0 0 275.320 1.671 10 10 CDCERN Cc1noc(NC(=O)CSc2nccs2)n1 ZINC000048989514 850396955 /nfs/dbraw/zinc/39/69/55/850396955.db2.gz BWRXQFMABJLMNQ-UHFFFAOYSA-N 0 0 256.312 1.565 10 10 CDCERN CCC[C@](C)(O)C(=O)NCc1c(O)cccc1O ZINC001647270695 1168508407 /nfs/dbraw/zinc/50/84/07/1168508407.db2.gz XKMMADBVOPEROG-ZDUSSCGKSA-N 0 0 253.298 1.265 10 10 CDCERN Cc1[nH]c(C=O)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001175037678 913438975 /nfs/dbraw/zinc/43/89/75/913438975.db2.gz JWRVJZIHIBQDTE-UHFFFAOYSA-N 0 0 270.288 1.997 10 10 CDCERN O=C(NCc1cc(O)ccc1O)c1ncnc2[nH]ccc21 ZINC001176754423 914258801 /nfs/dbraw/zinc/25/88/01/914258801.db2.gz CGXLBKWMWBLRJY-UHFFFAOYSA-N 0 0 284.275 1.251 10 10 CDCERN CCC(C)(C)[C@@H](O)C(=O)NCc1cc(O)ccc1O ZINC001176755210 914263152 /nfs/dbraw/zinc/26/31/52/914263152.db2.gz NMKQVDSCQNZSIJ-LBPRGKRZSA-N 0 0 267.325 1.511 10 10 CDCERN Cc1[nH]c(C=O)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001545669109 910455337 /nfs/dbraw/zinc/45/53/37/910455337.db2.gz KTWPBPBCYZRNEF-UHFFFAOYSA-N 0 0 288.303 1.519 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1cscn1 ZINC001178910777 915683177 /nfs/dbraw/zinc/68/31/77/915683177.db2.gz IETJJDBUKQBBOX-UHFFFAOYSA-N 0 0 250.279 1.484 10 10 CDCERN C[C@]1(C(F)F)CN(C(=O)C2=CC(=O)CS2)CCO1 ZINC000856496172 928607592 /nfs/dbraw/zinc/60/75/92/928607592.db2.gz FGQKAJCWTITDHO-LLVKDONJSA-N 0 0 277.292 1.950 10 10 CDCERN CC(C)C1(O)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001296355024 931867839 /nfs/dbraw/zinc/86/78/39/931867839.db2.gz KJGFYUZYTIAAAI-UHFFFAOYSA-N 0 0 290.323 1.692 10 10 CDCERN Nc1ccc(NC(=O)C(=O)NCCC2CC=CC2)cc1 ZINC000927867017 933098066 /nfs/dbraw/zinc/09/80/66/933098066.db2.gz VPXSSISEDFDZKR-UHFFFAOYSA-N 0 0 273.336 1.680 10 10 CDCERN Nc1ccc(CC(=O)N2CCO[C@@H](C(F)F)CC2)cc1 ZINC000687573332 934317375 /nfs/dbraw/zinc/31/73/75/934317375.db2.gz MHHRFHGPYMNZSM-GFCCVEGCSA-N 0 0 284.306 1.694 10 10 CDCERN O=C(/C=C\C1CCOCC1)NCc1cccc(O)c1O ZINC001123887311 936239101 /nfs/dbraw/zinc/23/91/01/936239101.db2.gz ANYPPDMUGKBAJN-PLNGDYQASA-N 0 0 277.320 1.697 10 10 CDCERN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001123888338 936239980 /nfs/dbraw/zinc/23/99/80/936239980.db2.gz HQCRZJOWTSNJAX-WDEREUQCSA-N 0 0 293.319 1.303 10 10 CDCERN CC(=O)C(=O)COC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC001261597872 946191412 /nfs/dbraw/zinc/19/14/12/946191412.db2.gz IMNBKUSJDQTVKD-SECBINFHSA-N 0 0 292.213 1.078 10 10 CDCERN O=C(C(=O)N1C2CCC1CC2)N1Cc2cccc(O)c2C1 ZINC001261855907 946306910 /nfs/dbraw/zinc/30/69/10/946306910.db2.gz KIKUWJNEWUZOMX-UHFFFAOYSA-N 0 0 286.331 1.388 10 10 CDCERN Cc1ncc(CNC(=O)NCc2ccccc2O)o1 ZINC001478798770 971246996 /nfs/dbraw/zinc/24/69/96/971246996.db2.gz TVOSNWUMSVLFRR-UHFFFAOYSA-N 0 0 261.281 1.688 10 10 CDCERN CN(C(=O)c1cccc(O)c1O)[C@@H](CO)c1ccccc1 ZINC001298375251 955180520 /nfs/dbraw/zinc/18/05/20/955180520.db2.gz YODGXLXAJBMGAA-ZDUSSCGKSA-N 0 0 287.315 1.903 10 10 CDCERN CN(CC(C)(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001329786744 956113763 /nfs/dbraw/zinc/11/37/63/956113763.db2.gz LKTNFCPOZOHKII-UHFFFAOYSA-N 0 0 290.363 1.739 10 10 CDCERN C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001441155961 964394814 /nfs/dbraw/zinc/39/48/14/964394814.db2.gz YGKXXQHLCFTTTO-ZJUUUORDSA-N 0 0 265.309 1.276 10 10 CDCERN O=C(c1cccc(O)c1O)N1CCN[C@H](c2ccccc2)C1 ZINC001557032823 965134647 /nfs/dbraw/zinc/13/46/47/965134647.db2.gz KGTHQLIUEQHHLE-AWEZNQCLSA-N 0 0 298.342 1.885 10 10 CDCERN O=C(Cc1ccc(O)c(O)c1)N1CC[C@@]2(C1)CCCOC2 ZINC001557487616 965178964 /nfs/dbraw/zinc/17/89/64/965178964.db2.gz ZLNILYCXERGTKB-MRXNPFEDSA-N 0 0 291.347 1.669 10 10 CDCERN CC1(C)CO[C@H](CC(=O)NCc2cc(O)ccc2O)C1 ZINC001558175166 965246301 /nfs/dbraw/zinc/24/63/01/965246301.db2.gz GONIVTNVBNDQEY-GFCCVEGCSA-N 0 0 279.336 1.919 10 10 CDCERN O=C(NCc1c(O)cccc1O)c1ccn(CC(F)F)n1 ZINC001558533244 965308258 /nfs/dbraw/zinc/30/82/58/965308258.db2.gz AGUDAIZLIVAULH-UHFFFAOYSA-N 0 0 297.261 1.489 10 10 CDCERN CN(Cc1ccccc1O)C(=O)c1c[nH]c(=O)n1C ZINC001445648812 966265569 /nfs/dbraw/zinc/26/55/69/966265569.db2.gz UJHCRIYSQYSKFL-UHFFFAOYSA-N 0 0 261.281 1.104 10 10 CDCERN Nc1cccnc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001445939238 966396908 /nfs/dbraw/zinc/39/69/08/966396908.db2.gz QTDMPLBCFLDANS-UHFFFAOYSA-N 0 0 273.292 1.048 10 10 CDCERN CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)OCCO1 ZINC001446405002 966536512 /nfs/dbraw/zinc/53/65/12/966536512.db2.gz LTTKVGFCUHGWCR-UHFFFAOYSA-N 0 0 292.295 1.342 10 10 CDCERN Cc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)ncn1 ZINC001447182722 966717612 /nfs/dbraw/zinc/71/76/12/966717612.db2.gz BMGNSQIMCIJCHT-UHFFFAOYSA-N 0 0 298.306 1.877 10 10 CDCERN C[C@H](OCC1CC1)C(=O)NCc1cccc(O)c1O ZINC001352657813 967408655 /nfs/dbraw/zinc/40/86/55/967408655.db2.gz LMWQPVLWYJXATM-VIFPVBQESA-N 0 0 265.309 1.529 10 10 CDCERN O=C(/C=C\c1ccc(O)c(O)c1)NC1(CF)CCOCC1 ZINC001450467909 967723514 /nfs/dbraw/zinc/72/35/14/967723514.db2.gz GRMWVGGLUGJKNB-RQOWECAXSA-N 0 0 295.310 1.746 10 10 CDCERN C[C@H]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)O1 ZINC001453585582 968339305 /nfs/dbraw/zinc/33/93/05/968339305.db2.gz FEXGCZGPPUVRDF-JQWIXIFHSA-N 0 0 279.336 1.714 10 10 CDCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccnn1C ZINC001454968704 968580938 /nfs/dbraw/zinc/58/09/38/968580938.db2.gz KBJJCXPTSGBHSG-AYYIZTPMSA-N 0 0 287.319 1.722 10 10 CDCERN CC(C)(C)C[C@@H](O)CC(=O)NCc1cc(O)ccc1O ZINC001471661991 970461194 /nfs/dbraw/zinc/46/11/94/970461194.db2.gz JZRYTUASKFMMEX-LBPRGKRZSA-N 0 0 281.352 1.901 10 10 CDCERN COC(=O)/C=C/[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC001522606771 970514515 /nfs/dbraw/zinc/51/45/15/970514515.db2.gz ZOPWLAHJIFZDPH-SDLBARTOSA-N 0 0 255.295 1.301 10 10 CDCERN Cc1ccc(C(=O)NCc2c(O)cccc2F)nn1 ZINC001471975862 970524519 /nfs/dbraw/zinc/52/45/19/970524519.db2.gz KJIIQELGWPVIFU-UHFFFAOYSA-N 0 0 261.256 1.560 10 10 CDCERN O=C(NCc1c(O)cccc1F)c1ccc(F)nc1 ZINC001471975788 970525534 /nfs/dbraw/zinc/52/55/34/970525534.db2.gz HNAROPVXQJHUOQ-UHFFFAOYSA-N 0 0 264.231 1.995 10 10 CDCERN Cc1nc(C(=O)NCc2c(O)cccc2F)c(=O)[nH]c1C ZINC001471976446 970527146 /nfs/dbraw/zinc/52/71/46/970527146.db2.gz ZGQODWRQZRWANI-UHFFFAOYSA-N 0 0 291.282 1.574 10 10 CDCERN CCc1[nH]nc(Cl)c1C(=O)NCc1c(O)cccc1O ZINC001472064149 970557042 /nfs/dbraw/zinc/55/70/42/970557042.db2.gz WPOVBKVKDURPAO-UHFFFAOYSA-N 0 0 295.726 1.967 10 10 CDCERN Cc1ccn(C)c1C(=O)NCc1cccc(O)c1O ZINC001593739824 1174170363 /nfs/dbraw/zinc/17/03/63/1174170363.db2.gz XPGSXCMRIAHOPH-UHFFFAOYSA-N 0 0 260.293 1.675 10 10 CDCERN CS(=O)(=O)N1CCC(Oc2ccc(N)cc2)CC1 ZINC000226022829 348759534 /nfs/dbraw/zinc/75/95/34/348759534.db2.gz YIZBAEJQCYIVMM-UHFFFAOYSA-N 0 0 270.354 1.072 10 10 CDCERN Cc1nc(CN(C)C(=O)c2cccc(O)c2O)no1 ZINC000189557787 358025160 /nfs/dbraw/zinc/02/51/60/358025160.db2.gz GFLPPFANXRQYPH-UHFFFAOYSA-N 0 0 263.253 1.061 10 10 CDCERN C[N@H+](CCOCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294750223 199165988 /nfs/dbraw/zinc/16/59/88/199165988.db2.gz RKOVTQIYQMKLIB-UHFFFAOYSA-N 0 0 277.723 1.625 10 10 CDCERN CC(C)(O)C(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272656706 365339184 /nfs/dbraw/zinc/33/91/84/365339184.db2.gz NXELEBAGXGEEFT-SOFGYWHQSA-N 0 0 279.336 1.777 10 10 CDCERN Cc1ccc(C(=O)N2CCCn3nccc32)c(O)c1O ZINC000272812611 365405910 /nfs/dbraw/zinc/40/59/10/365405910.db2.gz NTNCUTQZOXSKFT-UHFFFAOYSA-N 0 0 273.292 1.653 10 10 CDCERN Cc1ccc(C(=O)NCC[C@H]2CCCOC2)c(O)c1O ZINC000529597305 368084787 /nfs/dbraw/zinc/08/47/87/368084787.db2.gz GNYCQDRWNJFAHN-LLVKDONJSA-N 0 0 279.336 1.953 10 10 CDCERN Cc1ccc(C(=O)N[C@@H]2CCOC2(C)C)c(O)c1O ZINC000295770938 371447918 /nfs/dbraw/zinc/44/79/18/371447918.db2.gz COSZWRUVDGFQAQ-SNVBAGLBSA-N 0 0 265.309 1.704 10 10 CDCERN Cc1cc(CN2CC(=O)N(C)[C@@H](C)C2)ccc1N(C)C ZINC000294156561 378616670 /nfs/dbraw/zinc/61/66/70/378616670.db2.gz PCFFYJCZHLDMKB-ZDUSSCGKSA-N 0 0 275.396 1.724 10 10 CDCERN CC1(C)OCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000296272071 378724012 /nfs/dbraw/zinc/72/40/12/378724012.db2.gz PRMQBDCIIJGBKT-BPJJOFIESA-N 0 0 277.320 1.795 10 10 CDCERN COC(=O)N[C@@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000108448065 390610883 /nfs/dbraw/zinc/61/08/83/390610883.db2.gz JTTOXOFVMZZSPQ-CYBMUJFWSA-N 0 0 294.351 1.731 10 10 CDCERN COC[C@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000175851110 391141894 /nfs/dbraw/zinc/14/18/94/391141894.db2.gz SVVRCKOBGFBUBD-ZDUSSCGKSA-N 0 0 284.312 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CC[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000803090006 712360275 /nfs/dbraw/zinc/36/02/75/712360275.db2.gz PGMQKECPJSQMTK-NVBFEUDRSA-N 0 0 293.363 1.960 10 10 CDCERN CCN1CN(Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000191842371 712383596 /nfs/dbraw/zinc/38/35/96/712383596.db2.gz SBVVOZDHEXPSCE-UHFFFAOYSA-N 0 0 289.379 1.145 10 10 CDCERN Cc1cc(O)c(CN2CCn3ncnc3C2)c(Cl)c1 ZINC000840938323 712421396 /nfs/dbraw/zinc/42/13/96/712421396.db2.gz NGKUEYVEROEGPS-UHFFFAOYSA-N 0 0 278.743 1.961 10 10 CDCERN O=C(Cc1ccon1)NCc1cc(Cl)ccc1O ZINC000857547813 712422760 /nfs/dbraw/zinc/42/27/60/712422760.db2.gz VCHYMNJTAKAPBQ-UHFFFAOYSA-N 0 0 266.684 1.893 10 10 CDCERN O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000928706172 712452068 /nfs/dbraw/zinc/45/20/68/712452068.db2.gz OQOSAVFMCHEOAW-KKFJDGPESA-N 0 0 265.284 1.715 10 10 CDCERN COc1ccc(N2CC[C@H](NC(=O)N3CCCO3)C2)cc1 ZINC000854297071 712454096 /nfs/dbraw/zinc/45/40/96/712454096.db2.gz JORNNLCROWWESU-LBPRGKRZSA-N 0 0 291.351 1.621 10 10 CDCERN COCCOC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868379004 712455966 /nfs/dbraw/zinc/45/59/66/712455966.db2.gz HYBCVRQPTFRLMD-RYUDHWBXSA-N 0 0 296.367 1.804 10 10 CDCERN COc1ccc(O)c(CNC(=O)NCc2cscn2)c1 ZINC000114593068 712458266 /nfs/dbraw/zinc/45/82/66/712458266.db2.gz PBMONMZCYDJLIK-UHFFFAOYSA-N 0 0 293.348 1.857 10 10 CDCERN COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000846046761 712472038 /nfs/dbraw/zinc/47/20/38/712472038.db2.gz ALQYEHUEPWKEKY-VHSXEESVSA-N 0 0 289.734 1.766 10 10 CDCERN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)C(F)(F)F)c1 ZINC000828667513 712473173 /nfs/dbraw/zinc/47/31/73/712473173.db2.gz RQXUJXINEFHQCR-QUBYGPBYSA-N 0 0 292.257 1.468 10 10 CDCERN O=C1NCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816544570 712684035 /nfs/dbraw/zinc/68/40/35/712684035.db2.gz MLFVZGRHDOHMKH-JTQLQIEISA-N 0 0 272.707 1.553 10 10 CDCERN COC[C@]1(C)CN(Cc2cc(F)ccc2O)CCO1 ZINC000862551038 712701136 /nfs/dbraw/zinc/70/11/36/712701136.db2.gz JVUJNBHLJDVSQN-AWEZNQCLSA-N 0 0 269.316 1.769 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