smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1 ZINC000006868180 201703387 /nfs/dbraw/zinc/70/33/87/201703387.db2.gz JXSPCVGTPJYVPC-UHFFFAOYSA-N 0 0 346.394 3.437 50 0 EGAARN CSc1cccc(NC(=O)CN2CCN(c3ccccc3)C2=O)c1 ZINC000049378577 214003503 /nfs/dbraw/zinc/00/35/03/214003503.db2.gz COTPJWADRGMEEZ-UHFFFAOYSA-N 0 0 341.436 3.289 50 0 EGAARN CN(C)c1ccc([C@H]2CC(=O)Nc3c2c(-c2cccnc2)nn3C)cc1 ZINC000065434492 282294933 /nfs/dbraw/zinc/29/49/33/282294933.db2.gz BVKJZPXVMZVMCO-MRXNPFEDSA-N 0 0 347.422 3.022 50 0 EGAARN Cc1c(C)n(Cc2ccccn2)c2ncn(Cc3ccco3)c(=N)c12 ZINC000101029234 219114245 /nfs/dbraw/zinc/11/42/45/219114245.db2.gz LIDSXJDGGXJRMD-UHFFFAOYSA-N 0 0 333.395 3.019 50 0 EGAARN COc1ccc(OCCCC(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000009108784 201768558 /nfs/dbraw/zinc/76/85/58/201768558.db2.gz QWVWHBWSZQGZLD-UHFFFAOYSA-N 0 0 335.429 3.468 50 0 EGAARN CSc1nnc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)s1 ZINC000009348036 201775432 /nfs/dbraw/zinc/77/54/32/201775432.db2.gz NJJZBDLPLXEGQL-UHFFFAOYSA-N 0 0 347.421 3.236 50 0 EGAARN Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](c2ccco2)N(C)C)c1C ZINC000009486349 201779273 /nfs/dbraw/zinc/77/92/73/201779273.db2.gz YPDXPOBFBINYLX-HOTGVXAUSA-N 0 0 330.428 3.083 50 0 EGAARN CCOCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000009698604 201784876 /nfs/dbraw/zinc/78/48/76/201784876.db2.gz ZYYREGMSLRRNTJ-UHFFFAOYSA-N 0 0 326.396 3.095 50 0 EGAARN Cc1cc(C)c(NC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1 ZINC000010364314 201798646 /nfs/dbraw/zinc/79/86/46/201798646.db2.gz CSFZRUUJIBEHAE-UHFFFAOYSA-N 0 0 332.425 3.236 50 0 EGAARN CCCNC(=O)N1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000011945024 201820120 /nfs/dbraw/zinc/82/01/20/201820120.db2.gz YNZXXUBDEFVECY-LJQANCHMSA-N 0 0 335.492 3.001 50 0 EGAARN COc1ccc(-c2nnc(-c3nnn(-c4ccccc4)c3C)o2)cc1 ZINC000012274688 201836078 /nfs/dbraw/zinc/83/60/78/201836078.db2.gz GJLDYYVWHAQVGD-UHFFFAOYSA-N 0 0 333.351 3.301 50 0 EGAARN O=C(CS[C@@H]1CCc2ccccc2NC1=O)NCc1ccncc1 ZINC000012324553 201838001 /nfs/dbraw/zinc/83/80/01/201838001.db2.gz ASOYHZCZNYRRNI-MRXNPFEDSA-N 0 0 341.436 3.034 50 0 EGAARN CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1 ZINC000012381182 201843022 /nfs/dbraw/zinc/84/30/22/201843022.db2.gz RTKOPOOGKMWRDF-NSHDSACASA-N 0 0 332.227 3.446 50 0 EGAARN CCOCCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 ZINC000012404389 201844427 /nfs/dbraw/zinc/84/44/27/201844427.db2.gz SJIFIWFMBORZGY-UHFFFAOYSA-N 0 0 329.396 3.041 50 0 EGAARN O=C(NCCc1ccccc1)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000012409381 201844682 /nfs/dbraw/zinc/84/46/82/201844682.db2.gz GCIVEWYFZKVKML-UHFFFAOYSA-N 0 0 332.363 3.190 50 0 EGAARN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1C ZINC000014400582 201937505 /nfs/dbraw/zinc/93/75/05/201937505.db2.gz AKXCGDQVOHACFC-AWEZNQCLSA-N 0 0 327.380 3.496 50 0 EGAARN O=C(NC[C@H]1CCCN(C(=O)C2=CCCC2)C1)c1ccccc1Cl ZINC000015073666 201950319 /nfs/dbraw/zinc/95/03/19/201950319.db2.gz 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/nfs/dbraw/zinc/00/42/16/202004216.db2.gz ZNJHVYUEUYXHNI-UHFFFAOYSA-N 0 0 328.456 3.139 50 0 EGAARN O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019347621 202006067 /nfs/dbraw/zinc/00/60/67/202006067.db2.gz QNDMOIQOUYMSOU-UHFFFAOYSA-N 0 0 332.806 3.437 50 0 EGAARN CCCCn1c2ccccc2n(C[C@@H](O)c2ccc(OC)cc2)c1=N ZINC000019771532 202019075 /nfs/dbraw/zinc/01/90/75/202019075.db2.gz UOBHGWDXPJAOPA-LJQANCHMSA-N 0 0 339.439 3.465 50 0 EGAARN O=C(c1ccncc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019773622 202019117 /nfs/dbraw/zinc/01/91/17/202019117.db2.gz HRCCGXNKEKGFCU-UHFFFAOYSA-N 0 0 331.419 3.193 50 0 EGAARN COc1cccc(CN2CCN(Cc3ccccc3OC)CC2)c1 ZINC000019781620 202019737 /nfs/dbraw/zinc/01/97/37/202019737.db2.gz YODAOYJBZHHYJY-UHFFFAOYSA-N 0 0 326.440 3.022 50 0 EGAARN CN(Cc1cc(C2CC2)n[nH]1)Cc1nc(Cc2ccccc2F)no1 ZINC000019838806 202022251 /nfs/dbraw/zinc/02/22/51/202022251.db2.gz QCMBOUGZLMSQGD-UHFFFAOYSA-N 0 0 341.390 3.032 50 0 EGAARN FC(F)(F)c1ccccc1CN1CCN(Cc2ccccn2)CC1 ZINC000019832066 202022690 /nfs/dbraw/zinc/02/26/90/202022690.db2.gz GCOYQDVZLLABPZ-UHFFFAOYSA-N 0 0 335.373 3.418 50 0 EGAARN O=C(NC1CCCC1)[C@@H](/C(Cl)=C/c1ccccc1)N1CCOCC1 ZINC000019874598 202023809 /nfs/dbraw/zinc/02/38/09/202023809.db2.gz GSTWNAPNXBLNDD-HGLWPWQMSA-N 0 0 348.874 3.026 50 0 EGAARN C[C@@H](NC(=S)NCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000611011 209676263 /nfs/dbraw/zinc/67/62/63/209676263.db2.gz ZFSMIVOUUHRCFO-CYBMUJFWSA-N 0 0 328.437 3.183 50 0 EGAARN Cc1c(C(=O)Nc2cccc(OC(F)F)c2)cnn1-c1ccccn1 ZINC000019910957 202026516 /nfs/dbraw/zinc/02/65/16/202026516.db2.gz BRZUIZDPZYVHQD-UHFFFAOYSA-N 0 0 344.321 3.429 50 0 EGAARN COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(OC)cc2)cc1 ZINC000019927128 202026618 /nfs/dbraw/zinc/02/66/18/202026618.db2.gz LPCGZPBDKODJPX-GOSISDBHSA-N 0 0 329.421 3.478 50 0 EGAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000019943033 202027437 /nfs/dbraw/zinc/02/74/37/202027437.db2.gz BSJGAGZFMHJQHP-VXGBXAGGSA-N 0 0 331.865 3.405 50 0 EGAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000020279851 202036386 /nfs/dbraw/zinc/03/63/86/202036386.db2.gz AVKDCJGSZIZJQE-INIZCTEOSA-N 0 0 330.334 3.208 50 0 EGAARN O=C(COc1cccc(Br)c1)Nc1ccc2n[nH]cc2c1 ZINC000020436938 202041360 /nfs/dbraw/zinc/04/13/60/202041360.db2.gz LQVMJFFDRWNNGN-UHFFFAOYSA-N 0 0 346.184 3.343 50 0 EGAARN O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000020723296 202053699 /nfs/dbraw/zinc/05/36/99/202053699.db2.gz HNHWDCGBNIIBKC-CYBMUJFWSA-N 0 0 344.798 3.033 50 0 EGAARN CC(C)c1noc(-c2ccc(NCCOc3cccnc3)nc2)n1 ZINC000020600531 202050134 /nfs/dbraw/zinc/05/01/34/202050134.db2.gz LLILPSOFJYVQDM-UHFFFAOYSA-N 0 0 325.372 3.141 50 0 EGAARN Cc1nn(CC(=O)Nc2ccccn2)c2nc(C)cc(C(F)(F)F)c12 ZINC000020602194 202050435 /nfs/dbraw/zinc/05/04/35/202050435.db2.gz XSAVJGLBGUABKM-UHFFFAOYSA-N 0 0 349.316 3.101 50 0 EGAARN c1cc2c(s1)CCN(Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000020996625 202061017 /nfs/dbraw/zinc/06/10/17/202061017.db2.gz KYRUUICVFGEMKA-UHFFFAOYSA-N 0 0 341.392 3.085 50 0 EGAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000022513087 202087013 /nfs/dbraw/zinc/08/70/13/202087013.db2.gz VRECUVVSNVGDFN-OAHLLOKOSA-N 0 0 331.343 3.028 50 0 EGAARN Cc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)n1 ZINC000021786213 202070546 /nfs/dbraw/zinc/07/05/46/202070546.db2.gz LGJMEEDEYDBGMQ-UHFFFAOYSA-N 0 0 337.335 3.069 50 0 EGAARN CCn1nccc1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000021791903 202071198 /nfs/dbraw/zinc/07/11/98/202071198.db2.gz YIWOOODZEJSUMY-CYBMUJFWSA-N 0 0 328.372 3.001 50 0 EGAARN OCC[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccccc1F ZINC000023145637 202098731 /nfs/dbraw/zinc/09/87/31/202098731.db2.gz WOBGDQDZWHLPSC-LJQANCHMSA-N 0 0 346.421 3.034 50 0 EGAARN OC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000023192846 202100347 /nfs/dbraw/zinc/10/03/47/202100347.db2.gz MZNPJUPTGBKTQM-UHFFFAOYSA-N 0 0 349.434 3.207 50 0 EGAARN COc1ccc(-c2n[nH]c3c2CN(C(=O)c2ccsc2)CC3)cc1 ZINC000023369247 202102570 /nfs/dbraw/zinc/10/25/70/202102570.db2.gz 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/nfs/dbraw/zinc/30/51/05/202305105.db2.gz OULNXSDRYGQQFN-UHFFFAOYSA-N 0 0 345.765 3.271 50 0 EGAARN c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)nc1 ZINC000035586267 202307361 /nfs/dbraw/zinc/30/73/61/202307361.db2.gz PDLBXGMZPWLRPG-CQSZACIVSA-N 0 0 327.365 3.269 50 0 EGAARN COc1ccc(OC)c(C2=NN(C(C)=O)[C@H](c3cccc(O)c3)C2)c1 ZINC000035655291 202308074 /nfs/dbraw/zinc/30/80/74/202308074.db2.gz WZGUFBCOIOCQTM-SFHVURJKSA-N 0 0 340.379 3.107 50 0 EGAARN COc1ccc(-c2noc(CCNC(=O)c3ccc(C)cc3)n2)cc1 ZINC000035673020 202308223 /nfs/dbraw/zinc/30/82/23/202308223.db2.gz BONVPGCMGRVETG-UHFFFAOYSA-N 0 0 337.379 3.026 50 0 EGAARN Cn1ccc2c1cccc2C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000036353598 202322396 /nfs/dbraw/zinc/32/23/96/202322396.db2.gz REESSNOLIUALKK-ZDUSSCGKSA-N 0 0 328.397 3.134 50 0 EGAARN COc1ccccc1CNC(=O)c1snnc1-c1ccccc1 ZINC000036359647 202322552 /nfs/dbraw/zinc/32/25/52/202322552.db2.gz BPGCIOUNIHXYGX-UHFFFAOYSA-N 0 0 325.393 3.144 50 0 EGAARN Cc1cc(CNC(=O)COc2cccc3c2OC(C)(C)C3)c(C)o1 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COc1ccccc1S(=O)(=O)N1CCC(c2ccsc2)CC1 ZINC000075157156 202375909 /nfs/dbraw/zinc/37/59/09/202375909.db2.gz ZPTANPBBSAYWDZ-UHFFFAOYSA-N 0 0 337.466 3.325 50 0 EGAARN Cc1cc(CCNC(=O)c2cc(Br)ccc2Cl)on1 ZINC000075161577 202377165 /nfs/dbraw/zinc/37/71/65/202377165.db2.gz IOYCAAIMKGSLLK-UHFFFAOYSA-N 0 0 343.608 3.371 50 0 EGAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nn2)n1 ZINC000075163926 202377395 /nfs/dbraw/zinc/37/73/95/202377395.db2.gz RLLLTPNHKHFYSL-UHFFFAOYSA-N 0 0 345.765 3.324 50 0 EGAARN C[C@@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000075166752 202378024 /nfs/dbraw/zinc/37/80/24/202378024.db2.gz XSPPATKJSQQRQL-NSHDSACASA-N 0 0 347.358 3.349 50 0 EGAARN Cn1ncc2c1nc(-c1ccncc1)nc2N[C@@H]1C[C@H]1c1ccccc1 ZINC000072478137 216257605 /nfs/dbraw/zinc/25/76/05/216257605.db2.gz YUIFVTLBVKIDJD-DOTOQJQBSA-N 0 0 342.406 3.393 50 0 EGAARN Fc1cccc(-n2ccc(CN3CCO[C@@H](c4nccs4)C3)n2)c1 ZINC000065594965 201155674 /nfs/dbraw/zinc/15/56/74/201155674.db2.gz VNSSKHSASSSDCK-MRXNPFEDSA-N 0 0 344.415 3.041 50 0 EGAARN CC(C)(C)c1csc([C@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 ZINC000065550373 201156350 /nfs/dbraw/zinc/15/63/50/201156350.db2.gz IPOCAZNAOONKNE-GFCCVEGCSA-N 0 0 348.472 3.275 50 0 EGAARN O=C(NCCn1cc(-c2ccccc2)cn1)c1ccc(F)c(F)c1F ZINC000253473478 201187744 /nfs/dbraw/zinc/18/77/44/201187744.db2.gz VHYMVAWNZNCPBP-UHFFFAOYSA-N 0 0 345.324 3.397 50 0 EGAARN Cc1ccccc1-c1noc(CN2CCO[C@H](c3nccs3)C2)n1 ZINC000097199696 201382444 /nfs/dbraw/zinc/38/24/44/201382444.db2.gz OFWQUEUMGVSYMV-AWEZNQCLSA-N 0 0 342.424 3.075 50 0 EGAARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccccc1Cl ZINC000044902679 202532844 /nfs/dbraw/zinc/53/28/44/202532844.db2.gz LXGYKXJBFJZODY-UHFFFAOYSA-N 0 0 333.823 3.306 50 0 EGAARN CCOc1ccccc1C(=O)Nc1ccccc1S(=O)(=O)CC ZINC000046288803 202569193 /nfs/dbraw/zinc/56/91/93/202569193.db2.gz HDSOVNZKSCDKJG-UHFFFAOYSA-N 0 0 333.409 3.131 50 0 EGAARN COC[C@@H](C)N(Cc1ccccc1OC)C(=O)Cc1ccc(O)cc1 ZINC000055413549 202692729 /nfs/dbraw/zinc/69/27/29/202692729.db2.gz XHWJUBDMFATNKA-OAHLLOKOSA-N 0 0 343.423 3.007 50 0 EGAARN CCSc1nc(CC(=O)N(C)CCc2scnc2C)cs1 ZINC000055344484 202690522 /nfs/dbraw/zinc/69/05/22/202690522.db2.gz WNNBOVXVVODYRZ-UHFFFAOYSA-N 0 0 341.527 3.264 50 0 EGAARN Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000057355412 202721520 /nfs/dbraw/zinc/72/15/20/202721520.db2.gz DHKQEBFDBRDWQR-AZUAARDMSA-N 0 0 336.435 3.221 50 0 EGAARN O=C(COC(=O)c1cc(F)ccc1F)NCc1ccc(Cl)cc1 ZINC000057472334 202723642 /nfs/dbraw/zinc/72/36/42/202723642.db2.gz JFRFARKXWLUMLF-UHFFFAOYSA-N 0 0 339.725 3.091 50 0 EGAARN O=C(CSc1nc2cc(Cl)ccc2s1)NC[C@@H]1CCCO1 ZINC000000034353 201424461 /nfs/dbraw/zinc/42/44/61/201424461.db2.gz XKTRWHZWNWGGKY-JTQLQIEISA-N 0 0 342.873 3.337 50 0 EGAARN Cc1ccc([C@@H](CNC(=O)NC2CCCCC2)N2CCOCC2)cc1 ZINC000023105747 212348808 /nfs/dbraw/zinc/34/88/08/212348808.db2.gz GFJJMPYRCLDGNV-LJQANCHMSA-N 0 0 345.487 3.000 50 0 EGAARN O=C(NCc1ccco1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000049417 201426278 /nfs/dbraw/zinc/42/62/78/201426278.db2.gz VUXBPSRPAZNWKB-UHFFFAOYSA-N 0 0 341.388 3.042 50 0 EGAARN O=C(Cc1cccc2ccccc21)NCCOc1ccc2c(c1)OCO2 ZINC000022480747 212300320 /nfs/dbraw/zinc/30/03/20/212300320.db2.gz POPQFVCLLOWOSG-UHFFFAOYSA-N 0 0 349.386 3.306 50 0 EGAARN COc1ccc(CCNC(=O)c2ccccc2Br)cc1 ZINC000000077462 201430812 /nfs/dbraw/zinc/43/08/12/201430812.db2.gz FEIKYCFFEPEEJK-UHFFFAOYSA-N 0 0 334.213 3.430 50 0 biogenic EGAARN Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N(C)C)CCC2 ZINC000000186971 201444918 /nfs/dbraw/zinc/44/49/18/201444918.db2.gz SSGFFILZKYVDEE-UHFFFAOYSA-N 0 0 328.437 3.499 50 0 EGAARN Cc1nc2ccc(C)cn2c1C(=O)N[C@@H](c1cccnc1)C(F)(F)F ZINC000215024479 241102039 /nfs/dbraw/zinc/10/20/39/241102039.db2.gz ABMCITWDSMCVFN-HNNXBMFYSA-N 0 0 348.328 3.380 50 0 EGAARN Cc1cc(OC2CN(C(=O)c3cc4ccccc4s3)C2)cc(=O)o1 ZINC000206960703 241059110 /nfs/dbraw/zinc/05/91/10/241059110.db2.gz XHSOLVNSXGUXOV-UHFFFAOYSA-N 0 0 341.388 3.066 50 0 EGAARN O=C(CCc1ccc2c(c1)OCO2)N1CCCC[C@H]1c1ccccn1 ZINC000216450683 241194202 /nfs/dbraw/zinc/19/42/02/241194202.db2.gz PXOHJCGEHVICQI-KRWDZBQOSA-N 0 0 338.407 3.497 50 0 EGAARN CCn1nccc1C(=O)N(Cc1nccs1)Cc1ccccc1 ZINC000215405020 241122686 /nfs/dbraw/zinc/12/26/86/241122686.db2.gz QKKCFSWVTZRZDD-UHFFFAOYSA-N 0 0 326.425 3.202 50 0 EGAARN CCC(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000059835309 202778967 /nfs/dbraw/zinc/77/89/67/202778967.db2.gz NRZJHHWVKKFVQZ-UHFFFAOYSA-N 0 0 342.483 3.116 50 0 EGAARN O=S(=O)(c1cccs1)N1CCS[C@@H]1c1ccccc1F ZINC000217629910 241265198 /nfs/dbraw/zinc/26/51/98/241265198.db2.gz FBWATWPEJBHWEX-CYBMUJFWSA-N 0 0 329.443 3.324 50 0 EGAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217885292 241280568 /nfs/dbraw/zinc/28/05/68/241280568.db2.gz RGJSYYXBGGYGRI-CQSZACIVSA-N 0 0 341.436 3.195 50 0 EGAARN COc1ccc(OC)c(NC(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000000398156 201467314 /nfs/dbraw/zinc/46/73/14/201467314.db2.gz INQSQLSGQMSISX-UHFFFAOYSA-N 0 0 329.356 3.306 50 0 EGAARN COc1ccc(OC)c(/C=C2\N=C(c3ccccc3F)OC2=O)c1 ZINC000000430214 201472776 /nfs/dbraw/zinc/47/27/76/201472776.db2.gz OUXZNVZHHQWEOX-GDNBJRDFSA-N 0 0 327.311 3.187 50 0 EGAARN COc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000000275491 201455831 /nfs/dbraw/zinc/45/58/31/201455831.db2.gz UFERXBDWCJJQEC-XNTDXEJSSA-N 0 0 340.404 3.377 50 0 EGAARN COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000000268184 201456268 /nfs/dbraw/zinc/45/62/68/201456268.db2.gz OLATZDOEOPQUNF-UXBLZVDNSA-N 0 0 343.379 3.373 50 0 biogenic,in-vitro EGAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000000288816 201457327 /nfs/dbraw/zinc/45/73/27/201457327.db2.gz YGBMWNHTQVMKMU-UHFFFAOYSA-N 0 0 330.211 3.409 50 0 EGAARN O=C(NC[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1)c1cccc(F)c1 ZINC000009072914 201458053 /nfs/dbraw/zinc/45/80/53/201458053.db2.gz ZQHTUUKPBOUZEF-OAHLLOKOSA-N 0 0 348.761 3.234 50 0 EGAARN COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000000527724 201483794 /nfs/dbraw/zinc/48/37/94/201483794.db2.gz RRLGVHKMLXFIOZ-GOSISDBHSA-N 0 0 345.782 3.070 50 0 EGAARN O=C1Nc2ccc(Br)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000000565202 201487898 /nfs/dbraw/zinc/48/78/98/201487898.db2.gz UHJFGFRUNIVIDJ-INIZCTEOSA-N 0 0 343.180 3.118 50 0 biogenic EGAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC ZINC000000618142 201490981 /nfs/dbraw/zinc/49/09/81/201490981.db2.gz XIYDCPGAXAOLEJ-UHFFFAOYSA-N 0 0 329.352 3.465 50 0 EGAARN O=Cc1cn(-c2ccc(F)cc2F)nc1-c1ccc2c(c1)OCCO2 ZINC000000732231 201491740 /nfs/dbraw/zinc/49/17/40/201491740.db2.gz WMFGQHDENCCCSR-UHFFFAOYSA-N 0 0 342.301 3.401 50 0 EGAARN COc1cc(/C=C/C(=O)Nc2cc(C)ccn2)cc(OC)c1OC ZINC000000859769 201493465 /nfs/dbraw/zinc/49/34/65/201493465.db2.gz LMOXKHHWLYHOER-AATRIKPKSA-N 0 0 328.368 3.068 50 0 EGAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000990254 201495437 /nfs/dbraw/zinc/49/54/37/201495437.db2.gz QGVFWMVGLGEFGI-CPUCHLNUSA-N 0 0 343.423 3.287 50 0 biogenic EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1Cl ZINC000000467604 201477604 /nfs/dbraw/zinc/47/76/04/201477604.db2.gz XODYLSNZLWCCNV-UHFFFAOYSA-N 0 0 349.770 3.396 50 0 EGAARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc2ccccc2c1O ZINC000219576564 241398729 /nfs/dbraw/zinc/39/87/29/241398729.db2.gz YQUDYTGHYDGGKT-KRWDZBQOSA-N 0 0 340.423 3.018 50 0 EGAARN COc1ccc(NC(=O)c2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000001385353 201505092 /nfs/dbraw/zinc/50/50/92/201505092.db2.gz VVQIHSVWZKAPLQ-UHFFFAOYSA-N 0 0 333.697 3.353 50 0 EGAARN O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)o1)c1ccc(F)cc1 ZINC000001426020 201507372 /nfs/dbraw/zinc/50/73/72/201507372.db2.gz SVGFVCVFNSQVRG-UHFFFAOYSA-N 0 0 349.317 3.446 50 0 EGAARN O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(n2ccnn2)C1 ZINC000225691571 241989554 /nfs/dbraw/zinc/98/95/54/241989554.db2.gz LGMDNLTVJAUPQI-UHFFFAOYSA-N 0 0 338.798 3.296 50 0 EGAARN CN(C)c1cccc(C(=O)N[C@H](c2cccnc2)C2CCOCC2)c1 ZINC000225617643 241954523 /nfs/dbraw/zinc/95/45/23/241954523.db2.gz MUAVRIHEDIKIOE-IBGZPJMESA-N 0 0 339.439 3.045 50 0 EGAARN CCSc1ccccc1C(=O)NCc1nc(-c2cc(C)on2)no1 ZINC000225812456 242048661 /nfs/dbraw/zinc/04/86/61/242048661.db2.gz HJIVJPMWCRJODF-UHFFFAOYSA-N 0 0 344.396 3.075 50 0 EGAARN COc1cccc(NC(=O)NCc2ccc(-c3cccnc3)nc2)c1 ZINC000225766144 242024902 /nfs/dbraw/zinc/02/49/02/242024902.db2.gz HHGPQMJAVJEKNR-UHFFFAOYSA-N 0 0 334.379 3.474 50 0 EGAARN Cc1ccccc1CSCCNS(=O)(=O)c1cccs1 ZINC000002146430 201525145 /nfs/dbraw/zinc/52/51/45/201525145.db2.gz MUMRSIRFAUPRCC-UHFFFAOYSA-N 0 0 327.496 3.268 50 0 EGAARN CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000002333730 201529981 /nfs/dbraw/zinc/52/99/81/201529981.db2.gz BXIYMAZJTMDWLL-OAHLLOKOSA-N 0 0 346.349 3.063 50 0 EGAARN CCS(=O)(=O)c1nc(-c2ccc(C)s2)cc(C(F)(F)F)n1 ZINC000002538911 201534969 /nfs/dbraw/zinc/53/49/69/201534969.db2.gz QKEBKWHDMKENKY-UHFFFAOYSA-N 0 0 336.360 3.326 50 0 EGAARN O=C(Cn1cnc(Cl)c1Cl)NCCc1c[nH]c2ccccc12 ZINC000002543396 201535253 /nfs/dbraw/zinc/53/52/53/201535253.db2.gz WTCYFZCMORCSSA-UHFFFAOYSA-N 0 0 337.210 3.030 50 0 EGAARN CCC(=O)Oc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000002868720 201549430 /nfs/dbraw/zinc/54/94/30/201549430.db2.gz SESUKQHQOILJBU-UHFFFAOYSA-N 0 0 329.352 3.272 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(F)cc1 ZINC000003510929 201574243 /nfs/dbraw/zinc/57/42/43/201574243.db2.gz ODTVUXUNFBLUSS-UHFFFAOYSA-N 0 0 337.734 3.283 50 0 EGAARN C[C@H]1Cc2ccccc2N1C(=O)CCn1c2ccccc2sc1=O ZINC000004121590 201590435 /nfs/dbraw/zinc/59/04/35/201590435.db2.gz SUVXKRCGSWNWMW-ZDUSSCGKSA-N 0 0 338.432 3.431 50 0 EGAARN C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)COc1ccccc1 ZINC000004732616 201615405 /nfs/dbraw/zinc/61/54/05/201615405.db2.gz LGJBUHOCULQVAG-CRAIPNDOSA-N 0 0 348.406 3.072 50 0 EGAARN COc1ccc(CCNC(=O)COc2cc(C)cc(C)c2)cc1OC ZINC000004783744 201617445 /nfs/dbraw/zinc/61/74/45/201617445.db2.gz PNERSPLPIKTWAK-UHFFFAOYSA-N 0 0 343.423 3.058 50 0 EGAARN O=C(NCc1cccs1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000004857029 201623407 /nfs/dbraw/zinc/62/34/07/201623407.db2.gz MXAWFVDNXOPEIE-UHFFFAOYSA-N 0 0 329.208 3.310 50 0 EGAARN COc1ccc(CCNC(=O)Cn2ccc3ccccc32)cc1OC ZINC000004608554 201607100 /nfs/dbraw/zinc/60/71/00/201607100.db2.gz MCVVBJNGKWXXMZ-UHFFFAOYSA-N 0 0 338.407 3.017 50 0 EGAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSc1ccc2ccccc2n1 ZINC000004629016 201608299 /nfs/dbraw/zinc/60/82/99/201608299.db2.gz DIFNOLGSOOUKRK-OAHLLOKOSA-N 0 0 346.452 3.031 50 0 EGAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O ZINC000005093318 201639048 /nfs/dbraw/zinc/63/90/48/201639048.db2.gz LTYGKXIXQLSLJB-TUOMEMKJSA-N 0 0 345.829 3.389 50 0 EGAARN COCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 ZINC000005219780 201643567 /nfs/dbraw/zinc/64/35/67/201643567.db2.gz HMOKYEYGAHMFML-UHFFFAOYSA-N 0 0 334.379 3.302 50 0 EGAARN CC[C@H](C(=O)Nc1cccc(Cl)c1)n1nnc2ccccc2c1=O ZINC000005267042 201645799 /nfs/dbraw/zinc/64/57/99/201645799.db2.gz NPRVJDHUEYHJGX-OAHLLOKOSA-N 0 0 342.786 3.035 50 0 EGAARN CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)o2)c2cc(Cl)ccc21 ZINC000005325179 201646231 /nfs/dbraw/zinc/64/62/31/201646231.db2.gz RYUUZOUHFTTZEP-SFHVURJKSA-N 0 0 347.798 3.459 50 0 EGAARN O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc(-n2cccn2)cc1 ZINC000244708336 243064751 /nfs/dbraw/zinc/06/47/51/243064751.db2.gz KRWDEXGVYIQGMW-YZGWKJHDSA-N 0 0 347.418 3.114 50 0 EGAARN O[C@H]1C[C@H]([C@@H](Cc2ccccn2)Nc2cccc(C(F)(F)F)n2)C1 ZINC000243901858 243031716 /nfs/dbraw/zinc/03/17/16/243031716.db2.gz BEYMBFXDFSFLOW-MRVWCRGKSA-N 0 0 337.345 3.290 50 0 EGAARN CN(Cc1noc(C2CCCC2)n1)Cc1nc(-c2ccco2)no1 ZINC000244575010 243041076 /nfs/dbraw/zinc/04/10/76/243041076.db2.gz CVDMUUYVICTJNQ-UHFFFAOYSA-N 0 0 329.360 3.002 50 0 EGAARN COc1ccc(-c2noc(CNC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000006697782 201690564 /nfs/dbraw/zinc/69/05/64/201690564.db2.gz CJLPVINQMOCHRZ-UHFFFAOYSA-N 0 0 338.367 3.375 50 0 EGAARN Cc1ccc([C@H](C)NC(=O)CN2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000244601987 243044811 /nfs/dbraw/zinc/04/48/11/243044811.db2.gz DVSOIODBLXEVKQ-HNNXBMFYSA-N 0 0 348.450 3.148 50 0 EGAARN O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc(-n2ccnc2)cc1 ZINC000244691665 243056614 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CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(F)cc1)C2=O ZINC000019324009 278706491 /nfs/dbraw/zinc/70/64/91/278706491.db2.gz OTVYLEUWZNBKEL-UHFFFAOYSA-N 0 0 330.447 3.323 50 0 biogenic EGAARN C[C@@H]1Oc2ccccc2C=C1/C=c1\sc2nc3ccccc3n2c1=O ZINC000027061889 279064525 /nfs/dbraw/zinc/06/45/25/279064525.db2.gz ICMUNDGFWAFQCN-SJWFJVLYSA-N 0 0 346.411 3.273 50 0 EGAARN Cc1nc(C)c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)s1 ZINC000211109583 279073816 /nfs/dbraw/zinc/07/38/16/279073816.db2.gz WZSMVHQHLKCMGB-UHFFFAOYSA-N 0 0 342.420 3.062 50 0 EGAARN Cc1cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)n1 ZINC000057141606 280549217 /nfs/dbraw/zinc/54/92/17/280549217.db2.gz JKYQKBSLJDRJJX-UHFFFAOYSA-N 0 0 344.846 3.099 50 0 EGAARN CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000101705551 281399016 /nfs/dbraw/zinc/39/90/16/281399016.db2.gz PGWDNOFXOCIBKH-VIFPVBQESA-N 0 0 326.179 3.186 50 0 EGAARN Cc1nc(NC(=O)c2cc3c(s2)CCCC3)sc1C(=O)N(C)C ZINC000016580283 293336649 /nfs/dbraw/zinc/33/66/49/293336649.db2.gz ZKWQRCAFHGQMQO-UHFFFAOYSA-N 0 0 349.481 3.346 50 0 EGAARN CO[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)c1ccccc1 ZINC000000567332 294201654 /nfs/dbraw/zinc/20/16/54/294201654.db2.gz PBOGESCAJUTPOT-KRWDZBQOSA-N 0 0 326.396 3.151 50 0 EGAARN COc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)cc1 ZINC000004911589 295218451 /nfs/dbraw/zinc/21/84/51/295218451.db2.gz ZAQIPAGXMQXFEY-ZDUSSCGKSA-N 0 0 343.379 3.195 50 0 EGAARN CC(=O)c1ncc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000411474994 308940670 /nfs/dbraw/zinc/94/06/70/308940670.db2.gz DGJTYODZSQNCFG-AWEZNQCLSA-N 0 0 346.408 3.156 50 0 EGAARN CC(C)[C@H]1OC[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](C(C)C)N12 ZINC000239235317 455260848 /nfs/dbraw/zinc/26/08/48/455260848.db2.gz VTLWJILLJHEQMV-IZZQQSIFSA-N 0 0 348.443 3.301 50 0 EGAARN Cc1cccc2cc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)oc21 ZINC000244899491 455277181 /nfs/dbraw/zinc/27/71/81/455277181.db2.gz ZKSHAFBAZKMNKL-IIDMSEBBSA-N 0 0 336.391 3.378 50 0 EGAARN COc1ccc2c(C)c(C)c(=O)oc2c1I ZINC000000033741 452493407 /nfs/dbraw/zinc/49/34/07/452493407.db2.gz WNDARQJUFBPFCX-UHFFFAOYSA-N 0 0 330.121 3.023 50 0 EGAARN O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000043042 452495812 /nfs/dbraw/zinc/49/58/12/452495812.db2.gz GUGKXEFWJCLVHX-NSHDSACASA-N 0 0 332.762 3.471 50 0 EGAARN COc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000000045975 452496222 /nfs/dbraw/zinc/49/62/22/452496222.db2.gz CAJRMIREDGTYSA-VZUCSPMQSA-N 0 0 340.379 3.314 50 0 biogenic,in-vitro EGAARN Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000044724 452496377 /nfs/dbraw/zinc/49/63/77/452496377.db2.gz SZLICKWVDYWXLX-AWEZNQCLSA-N 0 0 326.371 3.434 50 0 EGAARN O=C(CCC1CCCC1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000068664 452498532 /nfs/dbraw/zinc/49/85/32/452498532.db2.gz KZTLXOUQYYBTDV-UHFFFAOYSA-N 0 0 332.419 3.081 50 0 EGAARN Cc1ccc(C)c(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000000080506 452499890 /nfs/dbraw/zinc/49/98/90/452499890.db2.gz UYWZWCRWTKJZAV-HNNXBMFYSA-N 0 0 346.452 3.097 50 0 EGAARN O=C(Nc1cccc(CC(=S)N2CCOCC2)c1)c1ccccc1 ZINC000000081271 452501970 /nfs/dbraw/zinc/50/19/70/452501970.db2.gz PNXRLBCXNKZXNH-UHFFFAOYSA-N 0 0 340.448 3.141 50 0 EGAARN CCOC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000000083564 452502120 /nfs/dbraw/zinc/50/21/20/452502120.db2.gz ANHIFGOUEWFZKJ-GFCCVEGCSA-N 0 0 330.380 3.311 50 0 biogenic EGAARN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc(OC)c1 ZINC000000084493 452502993 /nfs/dbraw/zinc/50/29/93/452502993.db2.gz UFVGDJUQHGOZCR-PXNMLYILSA-N 0 0 327.311 3.187 50 0 EGAARN Nc1nnc(SCC(=O)n2c3c(c4c2CCCC4)CCCC3)s1 ZINC000000087875 452504599 /nfs/dbraw/zinc/50/45/99/452504599.db2.gz UZDHQYOHQKNJGF-UHFFFAOYSA-N 0 0 348.497 3.112 50 0 EGAARN COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)c(OC)c1OC ZINC000000096383 452506277 /nfs/dbraw/zinc/50/62/77/452506277.db2.gz DIOAKLMPLLPGON-UHFFFAOYSA-N 0 0 348.424 3.300 50 0 EGAARN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)N1CCOCC1 ZINC000000106765 452508301 /nfs/dbraw/zinc/50/83/01/452508301.db2.gz FCNJPEPZCBUOEZ-UHFFFAOYSA-N 0 0 327.167 3.373 50 0 EGAARN CN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000000119475 452512642 /nfs/dbraw/zinc/51/26/42/452512642.db2.gz BHAZJEQNIOBHKL-UHFFFAOYSA-N 0 0 338.388 3.231 50 0 EGAARN COc1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000121849 452513753 /nfs/dbraw/zinc/51/37/53/452513753.db2.gz XSXZVYDCZFBZLQ-UHFFFAOYSA-N 0 0 342.782 3.127 50 0 EGAARN CC[C@H](C)OC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000000144737 452518723 /nfs/dbraw/zinc/51/87/23/452518723.db2.gz ZENVTCSCHIHCJI-LBPRGKRZSA-N 0 0 342.420 3.467 50 0 EGAARN Cc1cc(OCC(=O)N2CCC(C)CC2)ccc1Br ZINC000000142722 452519895 /nfs/dbraw/zinc/51/98/95/452519895.db2.gz HKVKCDLMRXBIRF-UHFFFAOYSA-N 0 0 326.234 3.395 50 0 EGAARN COc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000000181001 452529606 /nfs/dbraw/zinc/52/96/06/452529606.db2.gz GCXUJTLOSQKPCE-OAHLLOKOSA-N 0 0 326.396 3.102 50 0 EGAARN Cc1nn(Cc2ccc(C(=O)NCc3cccnc3)o2)c(C)c1Cl ZINC000000215041 452539191 /nfs/dbraw/zinc/53/91/91/452539191.db2.gz OOUWEZZVZPSJIU-UHFFFAOYSA-N 0 0 344.802 3.120 50 0 EGAARN COc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000000243295 452545710 /nfs/dbraw/zinc/54/57/10/452545710.db2.gz VYNWXEHIEXWCLT-OAHLLOKOSA-N 0 0 330.771 3.093 50 0 EGAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCc1ccco1 ZINC000000270294 452552496 /nfs/dbraw/zinc/55/24/96/452552496.db2.gz ZJGFTTMGYIYDKT-UHFFFAOYSA-N 0 0 336.196 3.074 50 0 EGAARN Clc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000292044 452554604 /nfs/dbraw/zinc/55/46/04/452554604.db2.gz RGOIDEZNTLCEEO-UHFFFAOYSA-N 0 0 330.815 3.391 50 0 EGAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000000297420 452557515 /nfs/dbraw/zinc/55/75/15/452557515.db2.gz IQTIUSOGPKXHFB-UHFFFAOYSA-N 0 0 332.263 3.178 50 0 EGAARN COc1ccc(CNC(=S)Nc2cc(OC)cc(OC)c2)cc1 ZINC000000307023 452558692 /nfs/dbraw/zinc/55/86/92/452558692.db2.gz SVMSNDBGFDLUMT-UHFFFAOYSA-N 0 0 332.425 3.199 50 0 EGAARN O=C(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1 ZINC000000302919 452558831 /nfs/dbraw/zinc/55/88/31/452558831.db2.gz VNRGTRXMVRTLQO-UHFFFAOYSA-N 0 0 336.204 3.490 50 0 biogenic EGAARN COc1ccc2o/c(=N\O)c(C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000000317317 452562022 /nfs/dbraw/zinc/56/20/22/452562022.db2.gz OHPCZUODVALBQV-JZJYNLBNSA-N 0 0 328.299 3.123 50 0 EGAARN COc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1 ZINC000000337777 452565591 /nfs/dbraw/zinc/56/55/91/452565591.db2.gz WPHDQRPGYZDTFP-UHFFFAOYSA-N 0 0 334.213 3.317 50 0 EGAARN Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c(C)c1 ZINC000000331211 452566449 /nfs/dbraw/zinc/56/64/49/452566449.db2.gz REHQBQCMKRHNED-UHFFFAOYSA-N 0 0 339.374 3.043 50 0 EGAARN CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCC(C)C ZINC000000352497 452568420 /nfs/dbraw/zinc/56/84/20/452568420.db2.gz HKIAGDVXCNNLFR-KRWDZBQOSA-N 0 0 346.427 3.303 50 0 EGAARN O=S(=O)(Nc1ccc(Br)cc1F)c1ccccc1 ZINC000000383517 452576185 /nfs/dbraw/zinc/57/61/85/452576185.db2.gz VCLXTMXWAZHPJP-UHFFFAOYSA-N 0 0 330.178 3.389 50 0 EGAARN COC(=O)c1ccc(C)c(OC(=O)c2sc(Cl)nc2C)c1 ZINC000000385247 452577763 /nfs/dbraw/zinc/57/77/63/452577763.db2.gz LFEXOSZOXPKLTK-UHFFFAOYSA-N 0 0 325.773 3.419 50 0 EGAARN O=C(c1ccccc1)N1NC(c2ccccc2)=NN=C1c1ccccc1 ZINC000000386617 452578471 /nfs/dbraw/zinc/57/84/71/452578471.db2.gz KCOHBLIOMXYHKM-UHFFFAOYSA-N 0 0 340.386 3.456 50 0 EGAARN COC(=O)c1cc(NC(=O)Nc2ccccc2F)cc(C(=O)OC)c1 ZINC000000398471 452579060 /nfs/dbraw/zinc/57/90/60/452579060.db2.gz PCOODWRPJMPCMN-UHFFFAOYSA-N 0 0 346.314 3.043 50 0 EGAARN COc1ccc(OC)c(NC(=O)Oc2ccc(NC(C)=O)cc2)c1 ZINC000000400300 452579589 /nfs/dbraw/zinc/57/95/89/452579589.db2.gz JOKAASRROAKHMB-UHFFFAOYSA-N 0 0 330.340 3.273 50 0 EGAARN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000000415870 452582753 /nfs/dbraw/zinc/58/27/53/452582753.db2.gz DVRCSZKTRGDAFJ-NSHDSACASA-N 0 0 335.404 3.369 50 0 EGAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000000442234 452593535 /nfs/dbraw/zinc/59/35/35/452593535.db2.gz ZGESSMPTYYGZLX-GFCCVEGCSA-N 0 0 347.798 3.461 50 0 EGAARN COc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1OC ZINC000000452316 452594832 /nfs/dbraw/zinc/59/48/32/452594832.db2.gz NCPITQRIRMJOGY-UHFFFAOYSA-N 0 0 330.409 3.139 50 0 EGAARN CCc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(C)C2=O)cc1 ZINC000000463027 452598169 /nfs/dbraw/zinc/59/81/69/452598169.db2.gz NSARHYLTZCTWMJ-IBGZPJMESA-N 0 0 343.810 3.339 50 0 EGAARN COc1ccc(NC(=S)NC(=O)c2cccc(C)c2C)cc1OC ZINC000000462989 452598750 /nfs/dbraw/zinc/59/87/50/452598750.db2.gz JANDEQYYALOLBM-UHFFFAOYSA-N 0 0 344.436 3.447 50 0 EGAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC ZINC000000463502 452598802 /nfs/dbraw/zinc/59/88/02/452598802.db2.gz PLRMEHBJJUQCHW-UHFFFAOYSA-N 0 0 348.424 3.153 50 0 EGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000000461431 452599437 /nfs/dbraw/zinc/59/94/37/452599437.db2.gz SPLAKIMCHOJQLF-UHFFFAOYSA-N 0 0 342.779 3.238 50 0 EGAARN COc1ccccc1CNC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000000466231 452600674 /nfs/dbraw/zinc/60/06/74/452600674.db2.gz IKSFWADRCAJIST-UHFFFAOYSA-N 0 0 326.396 3.220 50 0 EGAARN NC(=O)c1ccccc1NC(=S)NC(=O)c1cccc2ccccc21 ZINC000000465451 452601010 /nfs/dbraw/zinc/60/10/10/452601010.db2.gz MTFZGIQNGUKDMV-UHFFFAOYSA-N 0 0 349.415 3.066 50 0 EGAARN CCn1cc(Br)c(C(=O)Nc2cc(C)ccc2F)n1 ZINC000000468383 452601058 /nfs/dbraw/zinc/60/10/58/452601058.db2.gz VYCRMIGCSAMEOY-UHFFFAOYSA-N 0 0 326.169 3.365 50 0 EGAARN CCOC(=O)c1c2c(sc1NC(=O)c1cnccn1)CCCCC2 ZINC000000474105 452602154 /nfs/dbraw/zinc/60/21/54/452602154.db2.gz JJDHZYIMKNUDRJ-UHFFFAOYSA-N 0 0 345.424 3.236 50 0 EGAARN Cc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C ZINC000000471716 452602660 /nfs/dbraw/zinc/60/26/60/452602660.db2.gz LTZBWRICPWOFSY-UHFFFAOYSA-N 0 0 325.408 3.355 50 0 EGAARN CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1C(N)=O ZINC000000476774 452603525 /nfs/dbraw/zinc/60/35/25/452603525.db2.gz JMYYXVFHHZWQCG-KGLIPLIRSA-N 0 0 328.437 3.460 50 0 EGAARN Cc1c(NC(=O)Nc2cccc(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000000491411 452607952 /nfs/dbraw/zinc/60/79/52/452607952.db2.gz OAZYPUKTDGWTRK-UHFFFAOYSA-N 0 0 336.395 3.437 50 0 EGAARN Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccncc1 ZINC000000527841 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CCOc1ccccc1C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000006729760 452978173 /nfs/dbraw/zinc/97/81/73/452978173.db2.gz LYQSMSGQNJJZLD-UHFFFAOYSA-N 0 0 337.379 3.374 50 0 EGAARN O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000006743492 452979835 /nfs/dbraw/zinc/97/98/35/452979835.db2.gz GBAKDDVJUJOMSW-UHFFFAOYSA-N 0 0 327.771 3.363 50 0 EGAARN CC1(C)Cc2c(sc(NC(=O)Oc3ccccc3)c2C(N)=O)CO1 ZINC000006756454 452984381 /nfs/dbraw/zinc/98/43/81/452984381.db2.gz ZBSDHLREXYWRSE-UHFFFAOYSA-N 0 0 346.408 3.309 50 0 EGAARN CCCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000006759865 452984974 /nfs/dbraw/zinc/98/49/74/452984974.db2.gz ZGVLHILMPZWEBK-HXUWFJFHSA-N 0 0 341.382 3.433 50 0 EGAARN Cc1cccc(OCc2ccc(-c3nc4c5cnnc-5ncn4[nH]3)o2)c1 ZINC000006789252 452987902 /nfs/dbraw/zinc/98/79/02/452987902.db2.gz ZESHVRSCDPRDJM-UHFFFAOYSA-N 0 0 346.350 3.148 50 0 EGAARN CSc1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 ZINC000006810470 452991241 /nfs/dbraw/zinc/99/12/41/452991241.db2.gz SVCCZZMLFJLNNN-UHFFFAOYSA-N 0 0 329.838 3.079 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COc1ccccc1N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000009061324 453242844 /nfs/dbraw/zinc/24/28/44/453242844.db2.gz VSPQOBMYJSMNGU-UHFFFAOYSA-N 0 0 335.407 3.139 50 0 EGAARN COc1ccc(CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000009230415 453247241 /nfs/dbraw/zinc/24/72/41/453247241.db2.gz TVKBCWSSDRUITF-UHFFFAOYSA-N 0 0 326.396 3.471 50 0 EGAARN CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000009320527 453247998 /nfs/dbraw/zinc/24/79/98/453247998.db2.gz PPVQTQLBYDOFCU-SNVBAGLBSA-N 0 0 335.816 3.279 50 0 EGAARN COCCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1 ZINC000009355994 453251713 /nfs/dbraw/zinc/25/17/13/453251713.db2.gz GACXICKMGXJAOH-UHFFFAOYSA-N 0 0 327.384 3.097 50 0 EGAARN Cc1ccc(NC(=O)CSCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000009483747 453254609 /nfs/dbraw/zinc/25/46/09/453254609.db2.gz ODGZDKKCBZAOAH-UHFFFAOYSA-N 0 0 339.420 3.103 50 0 EGAARN C[C@@H](Sc1nnnn1C)C(=O)n1c2ccccc2c2ccccc21 ZINC000009489159 453255590 /nfs/dbraw/zinc/25/55/90/453255590.db2.gz TWHQXMOTBLUULI-LLVKDONJSA-N 0 0 337.408 3.139 50 0 EGAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)cc1 ZINC000009614707 453257565 /nfs/dbraw/zinc/25/75/65/453257565.db2.gz RPXSZKWQKNOIBJ-SFHVURJKSA-N 0 0 338.407 3.043 50 0 EGAARN Cc1ccc(NC(=O)COCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009669285 453257573 /nfs/dbraw/zinc/25/75/73/453257573.db2.gz HLJPKJBKXDNNNK-UHFFFAOYSA-N 0 0 332.787 3.242 50 0 EGAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1C ZINC000009669137 453257650 /nfs/dbraw/zinc/25/76/50/453257650.db2.gz COSUOSAAIVOTSP-UHFFFAOYSA-N 0 0 340.404 3.215 50 0 EGAARN CC(C)NC(=O)c1ccc(OC[C@H]2CCCO2)c(Br)c1 ZINC000009925533 453265530 /nfs/dbraw/zinc/26/55/30/453265530.db2.gz APXSVKKGVHXISK-GFCCVEGCSA-N 0 0 342.233 3.145 50 0 EGAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000010112371 453275179 /nfs/dbraw/zinc/27/51/79/453275179.db2.gz KEPRRQQAFQIVJJ-UHFFFAOYSA-N 0 0 337.372 3.112 50 0 EGAARN Cc1csc(NC(=O)NCCCSc2nc(C)cc(C)n2)n1 ZINC000010220877 453279953 /nfs/dbraw/zinc/27/99/53/453279953.db2.gz FSKMLLQGEMMGGE-UHFFFAOYSA-N 0 0 337.474 3.162 50 0 EGAARN Cc1cccc(-n2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)c1 ZINC000010273045 453283859 /nfs/dbraw/zinc/28/38/59/453283859.db2.gz WRPWQCQQKFAQFM-UHFFFAOYSA-N 0 0 336.330 3.014 50 0 EGAARN Nc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1 ZINC000010274578 453284440 /nfs/dbraw/zinc/28/44/40/453284440.db2.gz FJFSSVGIXZHVLF-UHFFFAOYSA-N 0 0 329.356 3.433 50 0 EGAARN CCOC(=O)N1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000010328694 453285225 /nfs/dbraw/zinc/28/52/25/453285225.db2.gz URNVHYWWZNVPPG-UHFFFAOYSA-N 0 0 346.471 3.217 50 0 EGAARN Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1Cl ZINC000010314276 453286447 /nfs/dbraw/zinc/28/64/47/453286447.db2.gz WSHIWVDHNXMKDA-UHFFFAOYSA-N 0 0 338.816 3.272 50 0 EGAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000010314709 453286590 /nfs/dbraw/zinc/28/65/90/453286590.db2.gz INARYKDFRDRKSB-UHFFFAOYSA-N 0 0 340.404 3.464 50 0 EGAARN COc1cccc(CCCNS(=O)(=O)Cc2cccc(C)c2)c1 ZINC000010543467 453295070 /nfs/dbraw/zinc/29/50/70/453295070.db2.gz GEYSICHUMKZKDG-UHFFFAOYSA-N 0 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CCc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1 ZINC000067909416 453979616 /nfs/dbraw/zinc/97/96/16/453979616.db2.gz KAXAUHHZUGMLNW-AZUAARDMSA-N 0 0 349.434 3.116 50 0 EGAARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3c(O)cccc3O)C2)cc1 ZINC000055385400 453980160 /nfs/dbraw/zinc/98/01/60/453980160.db2.gz NFIRPQFZMUPMGQ-OAHLLOKOSA-N 0 0 341.407 3.337 50 0 EGAARN Cc1nc(CN(C(=O)c2ccc([C@@H]3CCCO3)s2)C(C)C)no1 ZINC000067974160 453985526 /nfs/dbraw/zinc/98/55/26/453985526.db2.gz XUANFLKRIGDYHC-LBPRGKRZSA-N 0 0 335.429 3.342 50 0 EGAARN CN(Cc1cc(C(=O)N(C)Cc2ccoc2)no1)Cc1ccccc1 ZINC000067973620 453985532 /nfs/dbraw/zinc/98/55/32/453985532.db2.gz TWKYGZMIJVMXML-UHFFFAOYSA-N 0 0 339.395 3.172 50 0 EGAARN Cc1ccncc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067973550 453985791 /nfs/dbraw/zinc/98/57/91/453985791.db2.gz UWJHQMTVZGFOFM-UHFFFAOYSA-N 0 0 346.434 3.351 50 0 EGAARN Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1ccccc1 ZINC000085436483 454028903 /nfs/dbraw/zinc/02/89/03/454028903.db2.gz 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ZINC000044836451 454121686 /nfs/dbraw/zinc/12/16/86/454121686.db2.gz HXGAVDYJRATVLA-UHFFFAOYSA-N 0 0 326.327 3.470 50 0 EGAARN COc1ccc(CC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1OC ZINC000044891076 454124409 /nfs/dbraw/zinc/12/44/09/454124409.db2.gz CONRTIGNRGESCI-UHFFFAOYSA-N 0 0 325.368 3.070 50 0 EGAARN Cc1noc(-c2csc(S(=O)(=O)NCc3ccccc3)c2)c1C ZINC000044901567 454125942 /nfs/dbraw/zinc/12/59/42/454125942.db2.gz YDWSGLKBABUUMQ-UHFFFAOYSA-N 0 0 348.449 3.498 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)c1 ZINC000057472055 454131360 /nfs/dbraw/zinc/13/13/60/454131360.db2.gz LJWXTYGWEABWSL-UHFFFAOYSA-N 0 0 335.306 3.077 50 0 EGAARN CC[C@@H](C)NC(=O)Cn1c(=O)c(C)c(C)nc1-c1cccc(Cl)c1 ZINC000057527972 454134401 /nfs/dbraw/zinc/13/44/01/454134401.db2.gz RLYQDXKGCRVOGO-LLVKDONJSA-N 0 0 347.846 3.095 50 0 EGAARN Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(C)c1=O ZINC000095353955 454195970 /nfs/dbraw/zinc/19/59/70/454195970.db2.gz GEAGSQUFYMWDOK-KRWDZBQOSA-N 0 0 340.423 3.070 50 0 EGAARN O=C([O-])c1cccc([C@H]2CCC[N@H+](Cc3cncn3C3CC3)C2)c1 ZINC000095363267 454196837 /nfs/dbraw/zinc/19/68/37/454196837.db2.gz XMWDQBMGIUYEQP-INIZCTEOSA-N 0 0 325.412 3.296 50 0 EGAARN COc1ccccc1OCCn1c(C)cc(C(F)(F)F)cc1=O ZINC000095358337 454197162 /nfs/dbraw/zinc/19/71/62/454197162.db2.gz NZCPKMRXVBKUTE-UHFFFAOYSA-N 0 0 327.302 3.263 50 0 EGAARN Cc1ccc2[nH]c(=O)cc(C(=O)N3CC(Oc4ccccc4C)C3)c2c1 ZINC000095366376 454197255 /nfs/dbraw/zinc/19/72/55/454197255.db2.gz MHSOCOOSWXCYKO-UHFFFAOYSA-N 0 0 348.402 3.048 50 0 EGAARN CC(C)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000095370082 454198436 /nfs/dbraw/zinc/19/84/36/454198436.db2.gz WSIXHLYEKKIVGG-SFHVURJKSA-N 0 0 346.471 3.272 50 0 EGAARN Cc1ccc2nc(CNC(=O)c3cc4cccc(C)c4n3C)cn2c1 ZINC000095370851 454198990 /nfs/dbraw/zinc/19/89/90/454198990.db2.gz IDXJTVRLOMKCCP-UHFFFAOYSA-N 0 0 332.407 3.373 50 0 EGAARN CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CCn2cc(Cl)cn2)C1 ZINC000095370334 454199383 /nfs/dbraw/zinc/19/93/83/454199383.db2.gz 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/nfs/dbraw/zinc/22/11/88/454221188.db2.gz MZNWYZUNGTVXDI-UHFFFAOYSA-N 0 0 338.436 3.260 50 0 EGAARN CCc1ocnc1C(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095499934 454222123 /nfs/dbraw/zinc/22/21/23/454222123.db2.gz JXOHGYKAODCHCD-OAHLLOKOSA-N 0 0 342.443 3.253 50 0 EGAARN CCN(C(=O)Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1COC[C@@H]1O ZINC000095503023 454222546 /nfs/dbraw/zinc/22/25/46/454222546.db2.gz LBKRCLPUIKFASR-ROUUACIJSA-N 0 0 344.386 3.106 50 0 EGAARN CCCCNC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095509011 454225196 /nfs/dbraw/zinc/22/51/96/454225196.db2.gz AJNJUGPSXORLNQ-KRWDZBQOSA-N 0 0 341.459 3.016 50 0 EGAARN CCOC(=O)[C@H]1CCCc2sc(=NC(=O)OC(C)(C)C)[nH]c21 ZINC000095628787 454231518 /nfs/dbraw/zinc/23/15/18/454231518.db2.gz SWYBGWIBKLDLCP-VIFPVBQESA-N 0 0 326.418 3.473 50 0 EGAARN CCOC(=O)c1cn(C2CC2)c2c(C#N)c(Cl)c(F)cc2c1=O ZINC000095698935 454232186 /nfs/dbraw/zinc/23/21/86/454232186.db2.gz QHCOZOGCDMVPMB-UHFFFAOYSA-N 0 0 334.734 3.177 50 0 EGAARN O=C(NCCc1ccccc1)N1CCCC[C@H]1CCn1ccnc1 ZINC000072151065 454273004 /nfs/dbraw/zinc/27/30/04/454273004.db2.gz ZSMKLYBNVSTUIY-SFHVURJKSA-N 0 0 326.444 3.080 50 0 EGAARN O=C(NCCn1ccc(-c2ccccn2)n1)Nc1ccccc1Cl ZINC000096098942 454282221 /nfs/dbraw/zinc/28/22/21/454282221.db2.gz JPQLKOYXDLAPIN-UHFFFAOYSA-N 0 0 341.802 3.420 50 0 EGAARN COc1ccc(C(=O)NC[C@H](OC)c2ccccc2C)c(OC)c1 ZINC000096104973 454283314 /nfs/dbraw/zinc/28/33/14/454283314.db2.gz AZPXXZRIDHJYKN-SFHVURJKSA-N 0 0 329.396 3.130 50 0 EGAARN CC[C@](CNC(=O)NCc1ccc(OC)cc1)(OC)c1ccccc1 ZINC000096123825 454289408 /nfs/dbraw/zinc/28/94/08/454289408.db2.gz UMNQEAGMFLHVSU-HXUWFJFHSA-N 0 0 342.439 3.446 50 0 EGAARN COc1cccc2cc(C(=O)Nc3cnn(C4CCOCC4)c3)oc21 ZINC000096123319 454289879 /nfs/dbraw/zinc/28/98/79/454289879.db2.gz DNICNJASKXLVTD-UHFFFAOYSA-N 0 0 341.367 3.242 50 0 EGAARN CCCNC(=O)c1ccc(NC(=O)NCCc2ccc(C)o2)c(C)c1 ZINC000096150343 454293434 /nfs/dbraw/zinc/29/34/34/454293434.db2.gz LHQYKBLCRPQVPC-UHFFFAOYSA-N 0 0 343.427 3.400 50 0 EGAARN COc1ccc(NC(=O)NCCCC[C@@H]2CCCO2)cc1NC(C)=O ZINC000096151647 454294077 /nfs/dbraw/zinc/29/40/77/454294077.db2.gz KZGLCMYIXUBUCD-OAHLLOKOSA-N 0 0 349.431 3.124 50 0 EGAARN CC(=O)c1cc(C(=O)NCc2cccc(N3CCCC3)c2)cs1 ZINC000096151183 454294622 /nfs/dbraw/zinc/29/46/22/454294622.db2.gz TUCCRYXETMDLGO-UHFFFAOYSA-N 0 0 328.437 3.481 50 0 EGAARN Cc1noc(C)c1Cc1nc([C@@H]2CCOC2)nn1-c1ccccc1F ZINC000096162289 454295441 /nfs/dbraw/zinc/29/54/41/454295441.db2.gz HCCNODWQGFNDJL-CYBMUJFWSA-N 0 0 342.374 3.106 50 0 EGAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ncc[nH]1 ZINC000096224075 454309462 /nfs/dbraw/zinc/30/94/62/454309462.db2.gz BEZNAJMILLAZKZ-AWEZNQCLSA-N 0 0 328.803 3.099 50 0 EGAARN O=C1C[C@@H](c2ccc3nccnc3c2)c2c3nsnc3ccc2O1 ZINC000096231596 454310038 /nfs/dbraw/zinc/31/00/38/454310038.db2.gz AUVHQDGGIXLWNB-JTQLQIEISA-N 0 0 334.360 3.076 50 0 EGAARN O=C(Nc1nc(-c2ccncc2)cs1)c1n[nH]c2c1CCCCC2 ZINC000096230781 454310908 /nfs/dbraw/zinc/31/09/08/454310908.db2.gz WSCGHNFVFLVBRX-UHFFFAOYSA-N 0 0 339.424 3.449 50 0 EGAARN CC[C@@H](C(=O)NC[C@@H](O)c1ccc(N(C)C)cc1)c1ccccc1 ZINC000090611701 454327433 /nfs/dbraw/zinc/32/74/33/454327433.db2.gz FBLAKCYGGIQFQL-RTBURBONSA-N 0 0 326.440 3.096 50 0 EGAARN CCN(CC)Cc1nnc2sc(CCCc3ccccc3)nn12 ZINC000061722162 454353538 /nfs/dbraw/zinc/35/35/38/454353538.db2.gz VNHUEEUQBOTJFB-UHFFFAOYSA-N 0 0 329.473 3.203 50 0 EGAARN C[C@@](O)(CCc1ccccc1)CNC(=O)CSc1ccc(F)cc1 ZINC000062021445 454366150 /nfs/dbraw/zinc/36/61/50/454366150.db2.gz WEVYFYSKLDQQKK-LJQANCHMSA-N 0 0 347.455 3.418 50 0 EGAARN COc1cc2c(c(OC)c1)[C@H](c1cccs1)C1C(=O)OC=C1N2 ZINC000063111224 454392349 /nfs/dbraw/zinc/39/23/49/454392349.db2.gz WDFXDRFTIICWSX-INIZCTEOSA-N 0 0 329.377 3.134 50 0 EGAARN COc1cccc([C@@H]2CCN2C(=O)c2nc3cccc(C)n3c2F)c1 ZINC000097155956 454418131 /nfs/dbraw/zinc/41/81/31/454418131.db2.gz AYVFXQQUFIOEII-HNNXBMFYSA-N 0 0 339.370 3.378 50 0 EGAARN O=C(CCn1ccc2ccc(Cl)cc21)NCCc1ccccn1 ZINC000079482746 454422363 /nfs/dbraw/zinc/42/23/63/454422363.db2.gz 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COc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O ZINC000001072411 452644516 /nfs/dbraw/zinc/64/45/16/452644516.db2.gz LDZPDZJQVNLLTN-LBPRGKRZSA-N 0 0 344.798 3.340 50 0 EGAARN CSc1ncc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 ZINC000001067821 452645561 /nfs/dbraw/zinc/64/55/61/452645561.db2.gz SUKJXXOEACIOSU-UHFFFAOYSA-N 0 0 336.804 3.063 50 0 EGAARN COCC(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 ZINC000001292290 452651442 /nfs/dbraw/zinc/65/14/42/452651442.db2.gz OLOHBAMZNGEBPS-UHFFFAOYSA-N 0 0 326.400 3.134 50 0 EGAARN O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2ccccc2)c1 ZINC000001396449 452659828 /nfs/dbraw/zinc/65/98/28/452659828.db2.gz WARIMOKTXGLFJN-UHFFFAOYSA-N 0 0 340.329 3.427 50 0 EGAARN C[C@@H](C(=O)Nc1ncccn1)n1c2ccccc2nc1C(F)(F)F ZINC000001399292 452660247 /nfs/dbraw/zinc/66/02/47/452660247.db2.gz MDEDYTATLDIOPG-VIFPVBQESA-N 0 0 335.289 3.045 50 0 EGAARN COc1ccc(CCNc2ncc3c(n2)CC(C)(C)CC3=O)cc1 ZINC000001407541 452661120 /nfs/dbraw/zinc/66/11/20/452661120.db2.gz ACRJGAMUSKRROC-UHFFFAOYSA-N 0 0 325.412 3.295 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/nfs/dbraw/zinc/94/20/62/453942062.db2.gz IFOHFFLJLYDXSV-UHFFFAOYSA-N 0 0 331.379 3.221 50 0 EGAARN Cc1cnc2n1-c1c(c(C)nn1C)C(c1ccccc1Cl)=NC2 ZINC000039618037 453945908 /nfs/dbraw/zinc/94/59/08/453945908.db2.gz PUGIHPGXHDBLJM-UHFFFAOYSA-N 0 0 325.803 3.227 50 0 EGAARN COc1ccc(CCNC(=O)c2sc(NC(C)C)nc2C)cc1 ZINC000040287818 453948832 /nfs/dbraw/zinc/94/88/32/453948832.db2.gz RHXQAHOWYMPJLA-UHFFFAOYSA-N 0 0 333.457 3.253 50 0 EGAARN Cc1nc(N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc12 ZINC000067654794 453953432 /nfs/dbraw/zinc/95/34/32/453953432.db2.gz MRLVHWXERQPNIO-AWEZNQCLSA-N 0 0 326.444 3.021 50 0 EGAARN Cc1ccc(NC(=O)c2cc(NC(=O)c3cccs3)n(C)n2)cc1 ZINC000040745878 453953930 /nfs/dbraw/zinc/95/39/30/453953930.db2.gz PWBJETKVBDAPAB-UHFFFAOYSA-N 0 0 340.408 3.295 50 0 EGAARN Cn1ccnc1CN1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 ZINC000067674775 453954977 /nfs/dbraw/zinc/95/49/77/453954977.db2.gz WQFABVSFQIHLLT-UHFFFAOYSA-N 0 0 335.455 3.114 50 0 EGAARN CCc1cc(CN2CCc3onc(-c4cccc(OC)c4)c3C2)[nH]n1 ZINC000067672914 453955250 /nfs/dbraw/zinc/95/52/50/453955250.db2.gz DPIOCCSXQQSZIO-UHFFFAOYSA-N 0 0 338.411 3.194 50 0 EGAARN COc1ccc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c(C)c1 ZINC000067688590 453958130 /nfs/dbraw/zinc/95/81/30/453958130.db2.gz UJUHBVNYRDLITE-UHFFFAOYSA-N 0 0 325.412 3.148 50 0 EGAARN COCCc1noc([C@@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000055089357 453961311 /nfs/dbraw/zinc/96/13/11/453961311.db2.gz SFNKIYFLXOVOFS-XUXNNNHQSA-N 0 0 347.459 3.042 50 0 EGAARN COCc1cc(Cn2cnc(-c3ccccc3)c2CCSC)n[nH]1 ZINC000067741849 453962233 /nfs/dbraw/zinc/96/22/33/453962233.db2.gz OFQMSTFZGSNOCA-UHFFFAOYSA-N 0 0 342.468 3.373 50 0 EGAARN CC(=O)NCCC(=O)Nc1ccccc1OCCCc1ccccc1 ZINC000055132771 453964975 /nfs/dbraw/zinc/96/49/75/453964975.db2.gz UDKCVWTULPNQSZ-UHFFFAOYSA-N 0 0 340.423 3.163 50 0 EGAARN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)[nH]n1 ZINC000067774312 453965066 /nfs/dbraw/zinc/96/50/66/453965066.db2.gz VSLPWQPDGSUAEG-MRXNPFEDSA-N 0 0 349.438 3.436 50 0 EGAARN Cc1nc2c(ncnc2NCCCc2nc3c(ccc(C)c3C)[nH]2)o1 ZINC000067784537 453966074 /nfs/dbraw/zinc/96/60/74/453966074.db2.gz SUOALYZVCSADJW-UHFFFAOYSA-N 0 0 336.399 3.464 50 0 EGAARN CCC[C@@H](C)c1nnc(NC(=O)Cc2cn3ccsc3n2)s1 ZINC000055154781 453966159 /nfs/dbraw/zinc/96/61/59/453966159.db2.gz HMPIWYXCQOYWDF-SECBINFHSA-N 0 0 335.458 3.332 50 0 EGAARN C[C@H](NC(=O)c1ccccc1-c1nccn1C)c1ccc(O)c(F)c1 ZINC000067789647 453966419 /nfs/dbraw/zinc/96/64/19/453966419.db2.gz OLJVHIJKOVNWTM-LBPRGKRZSA-N 0 0 339.370 3.423 50 0 EGAARN CC[C@H](Nc1cccc(OC)c1)C(=O)NCCOc1ccccc1 ZINC000055199562 453969419 /nfs/dbraw/zinc/96/94/19/453969419.db2.gz OPWHNGDXTMKGRK-SFHVURJKSA-N 0 0 328.412 3.081 50 0 EGAARN CCSc1nc(CC(=O)N(C)[C@H](C)c2nccs2)cs1 ZINC000055211659 453969947 /nfs/dbraw/zinc/96/99/47/453969947.db2.gz OLSSEAOCJYEKPZ-SECBINFHSA-N 0 0 327.500 3.474 50 0 EGAARN COc1c(C)cc([C@@H](C(=O)[O-])[N@H+](C)CCc2scnc2C)cc1C ZINC000055211187 453969997 /nfs/dbraw/zinc/96/99/97/453969997.db2.gz CDJGTFRPWCSKSE-INIZCTEOSA-N 0 0 348.468 3.377 50 0 EGAARN COc1c(C)cc([C@H](C(=O)[O-])[N@H+](C)CCc2scnc2C)cc1C ZINC000055211188 453970134 /nfs/dbraw/zinc/97/01/34/453970134.db2.gz CDJGTFRPWCSKSE-MRXNPFEDSA-N 0 0 348.468 3.377 50 0 EGAARN CCC(=O)Nc1ccc(OCC(=O)N(C)Cc2sccc2C)cc1 ZINC000055227983 453971206 /nfs/dbraw/zinc/97/12/06/453971206.db2.gz MCYPIBHETOKTEZ-UHFFFAOYSA-N 0 0 346.452 3.442 50 0 EGAARN CCCNc1ccc(C)cc1C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000055244049 453971324 /nfs/dbraw/zinc/97/13/24/453971324.db2.gz FIBFMURSXYVYEA-HNNXBMFYSA-N 0 0 332.444 3.232 50 0 EGAARN COC(C)(C)C(=O)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000067842370 453971794 /nfs/dbraw/zinc/97/17/94/453971794.db2.gz QVRMWQBRCOYNAA-HNNXBMFYSA-N 0 0 327.428 3.208 50 0 EGAARN COc1cc(C)c(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)cc1C ZINC000067881349 453976132 /nfs/dbraw/zinc/97/61/32/453976132.db2.gz NJYZVRPJEWWBSR-UHFFFAOYSA-N 0 0 340.383 3.118 50 0 EGAARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3cnccn3)C2)cc1 ZINC000067886074 453976966 /nfs/dbraw/zinc/97/69/66/453976966.db2.gz NZFKXGNRYNFDIG-MRXNPFEDSA-N 0 0 347.422 3.195 50 0 EGAARN Cc1ccccc1NC(=O)CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000055342174 453977864 /nfs/dbraw/zinc/97/78/64/453977864.db2.gz XXDKUMQWTICMKS-CYBMUJFWSA-N 0 0 336.395 3.077 50 0 EGAARN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000067908177 453979402 /nfs/dbraw/zinc/97/94/02/453979402.db2.gz VGGYKDUSTAHYAP-CYBMUJFWSA-N 0 0 349.438 3.258 50 0 EGAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)CCc2nc3ccccc3[nH]2)c1 ZINC000055403406 453982268 /nfs/dbraw/zinc/98/22/68/453982268.db2.gz UDEQCPPAAATYHY-OAHLLOKOSA-N 0 0 336.439 3.289 50 0 EGAARN C[C@H](CNC(=O)CCC(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000055413696 453983447 /nfs/dbraw/zinc/98/34/47/453983447.db2.gz HUJIXFUGEUTZKL-CYBMUJFWSA-N 0 0 336.863 3.399 50 0 EGAARN COC(=O)[C@@H](NCc1cnc(-c2cccc(C)c2)nc1)c1ccccc1 ZINC000055413902 453983574 /nfs/dbraw/zinc/98/35/74/453983574.db2.gz XXFLJQCDZSKVKI-IBGZPJMESA-N 0 0 347.418 3.456 50 0 EGAARN COC[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000055415101 453983754 /nfs/dbraw/zinc/98/37/54/453983754.db2.gz VWQDVUULRIERJX-LMFLDHGRSA-N 0 0 328.456 3.492 50 0 EGAARN Cn1nc(-c2nccn2CCCn2ccnc2)c2c1cccc2Cl ZINC000067955079 453983904 /nfs/dbraw/zinc/98/39/04/453983904.db2.gz MIRBSNKVQVMHPE-UHFFFAOYSA-N 0 0 340.818 3.377 50 0 EGAARN O=C(c1cc(COc2ccccc2)[nH]n1)N(Cc1ccccn1)C1CC1 ZINC000067982972 453986202 /nfs/dbraw/zinc/98/62/02/453986202.db2.gz MVOUIOLBMYVPMU-UHFFFAOYSA-N 0 0 348.406 3.189 50 0 EGAARN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(Br)cc1 ZINC000055543763 453993383 /nfs/dbraw/zinc/99/33/83/453993383.db2.gz SOPZEFAULVAYFG-AWEZNQCLSA-N 0 0 326.234 3.367 50 0 EGAARN CC(=O)c1ccc(C(=O)Nc2ccccc2CN2CCOCC2)s1 ZINC000055816446 454016134 /nfs/dbraw/zinc/01/61/34/454016134.db2.gz YINHFYPRLUQBGD-UHFFFAOYSA-N 0 0 344.436 3.035 50 0 EGAARN Cn1cc(-c2cccs2)nc1CCNC(=O)Cc1ccc(F)cc1 ZINC000085471203 454029944 /nfs/dbraw/zinc/02/99/44/454029944.db2.gz HZYCWKXPVUAXLV-UHFFFAOYSA-N 0 0 343.427 3.189 50 0 EGAARN Cc1nnc(NC(=O)NCc2ccccc2OC(F)(F)F)s1 ZINC000043408564 454060885 /nfs/dbraw/zinc/06/08/85/454060885.db2.gz PUVXZWGSAJTLKF-UHFFFAOYSA-N 0 0 332.307 3.067 50 0 EGAARN COC(=O)/C=C1\[C@@H]2CC(=O)c3cc(OC)ccc3[C@@H]2CC[C@]1(C)C#N ZINC000044460399 454102078 /nfs/dbraw/zinc/10/20/78/454102078.db2.gz WUKJWSATQLGIGS-FVSXZHNQSA-N 0 0 339.391 3.404 50 0 EGAARN COc1ccc(CCCNC(=O)c2ccc(NC3CC3)nc2)cc1 ZINC000057249338 454115081 /nfs/dbraw/zinc/11/50/81/454115081.db2.gz SIVTXNBNPRDTAD-UHFFFAOYSA-N 0 0 325.412 3.027 50 0 EGAARN CC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1nc(C)c[nH]1 ZINC000077565333 454124375 /nfs/dbraw/zinc/12/43/75/454124375.db2.gz OJRWBHBYQDVAKP-QGZVFWFLSA-N 0 0 337.427 3.402 50 0 EGAARN CCCN(CCC)C(=O)Cn1cnc2c3ccccc3sc2c1=O ZINC000057507937 454133422 /nfs/dbraw/zinc/13/34/22/454133422.db2.gz IGXLMSZLBXJBPF-UHFFFAOYSA-N 0 0 343.452 3.260 50 0 EGAARN COc1cccc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)c1 ZINC000045038339 454134975 /nfs/dbraw/zinc/13/49/75/454134975.db2.gz BNAHOGNAUVSJNO-UHFFFAOYSA-N 0 0 339.439 3.035 50 0 EGAARN Brc1ccncc1N1CCN(Cc2ccccc2)CC1 ZINC000095080920 454194427 /nfs/dbraw/zinc/19/44/27/454194427.db2.gz IUCPAVBQKIECCS-UHFFFAOYSA-N 0 0 332.245 3.166 50 0 EGAARN CCCN(Cc1cccnc1)C(=O)[C@@H](c1ccc(F)cc1)N(C)C ZINC000095377816 454198752 /nfs/dbraw/zinc/19/87/52/454198752.db2.gz RHPBCFUPJVXZTQ-GOSISDBHSA-N 0 0 329.419 3.262 50 0 EGAARN CCc1nc2ccccc2n1[C@H](CC)C(=O)N(C)Cc1ccon1 ZINC000095388091 454199767 /nfs/dbraw/zinc/19/97/67/454199767.db2.gz BLOCFJABUWPNCE-OAHLLOKOSA-N 0 0 326.400 3.196 50 0 EGAARN CN(C)[C@H](C(=O)N(C)Cc1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000095384012 454199805 /nfs/dbraw/zinc/19/98/05/454199805.db2.gz BUPIKPNJGPWAMF-INIZCTEOSA-N 0 0 335.810 3.135 50 0 EGAARN COc1cccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1 ZINC000095390795 454202006 /nfs/dbraw/zinc/20/20/06/454202006.db2.gz PWKWVLGIIYYQAN-MRXNPFEDSA-N 0 0 327.428 3.492 50 0 EGAARN COc1ccc(-c2cc(C(=O)Nc3ncc(C)s3)no2)cc1OC ZINC000046086616 454217093 /nfs/dbraw/zinc/21/70/93/454217093.db2.gz UOFQAFQAVAGTLH-UHFFFAOYSA-N 0 0 345.380 3.376 50 0 EGAARN Cc1cc(C)nc(NCCCC(=O)Nc2cccc3c2ccn3C)n1 ZINC000095476994 454219394 /nfs/dbraw/zinc/21/93/94/454219394.db2.gz VHWJPIQCPHTGGX-UHFFFAOYSA-N 0 0 337.427 3.416 50 0 EGAARN C[C@@H](C(=O)Nc1ccn(C)n1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095477608 454219487 /nfs/dbraw/zinc/21/94/87/454219487.db2.gz STBCMPHRZHKTOC-CJNGLKHVSA-N 0 0 325.412 3.074 50 0 EGAARN COc1ccc2c(c1)c(C(=O)Nc1ccc3c(c1)ncn3C)cn2C ZINC000095473585 454220158 /nfs/dbraw/zinc/22/01/58/454220158.db2.gz LPCQWXFXEOKWLN-UHFFFAOYSA-N 0 0 334.379 3.326 50 0 EGAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2cccnc2)S1 ZINC000095478732 454220821 /nfs/dbraw/zinc/22/08/21/454220821.db2.gz VRRCQFYOKQXRJW-CQSZACIVSA-N 0 0 330.413 3.221 50 0 EGAARN CCCn1nc(C)cc1NC(=O)NCc1nc(C2CCCCC2)no1 ZINC000095499157 454222475 /nfs/dbraw/zinc/22/24/75/454222475.db2.gz RKZJTTLBQLPSHX-UHFFFAOYSA-N 0 0 346.435 3.354 50 0 EGAARN CN(c1ncccc1-c1nc(-c2cccnn2)no1)C1CCCCC1 ZINC000095502255 454222859 /nfs/dbraw/zinc/22/28/59/454222859.db2.gz DJPWNBPNVUJSLB-UHFFFAOYSA-N 0 0 336.399 3.358 50 0 EGAARN Cc1nn(C)c2nc(NCc3cc(-c4ccccn4)no3)sc12 ZINC000095505056 454223532 /nfs/dbraw/zinc/22/35/32/454223532.db2.gz CRPVAQPTBMSUBO-UHFFFAOYSA-N 0 0 326.385 3.000 50 0 EGAARN COc1ccc([C@H](CC(=O)NCC2(C)COC2)c2ccccc2)cc1 ZINC000095503494 454224149 /nfs/dbraw/zinc/22/41/49/454224149.db2.gz WVEQKHSKHWQMJO-LJQANCHMSA-N 0 0 339.435 3.370 50 0 EGAARN CC(=O)N[C@@H]1CN(C(=O)/C=C/c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000095515127 454225052 /nfs/dbraw/zinc/22/50/52/454225052.db2.gz IKSXHJJWSIIAFQ-CYYRHQSGSA-N 0 0 348.446 3.139 50 0 EGAARN CCCOC[C@@H]1CCN(c2ncnc3c2Cc2ccccc2OC3)C1 ZINC000095518037 454226074 /nfs/dbraw/zinc/22/60/74/454226074.db2.gz FRKSESHXWAMNIX-OAHLLOKOSA-N 0 0 339.439 3.213 50 0 EGAARN O=C(COc1ccc2ccccc2c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000095519228 454226112 /nfs/dbraw/zinc/22/61/12/454226112.db2.gz BMEHICGJJVDOPE-KRWDZBQOSA-N 0 0 335.407 3.348 50 0 EGAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000095520577 454226778 /nfs/dbraw/zinc/22/67/78/454226778.db2.gz JOHOKPAIIMSJNX-UHFFFAOYSA-N 0 0 328.372 3.049 50 0 EGAARN O=C(CSCC1CC1)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000095524866 454227614 /nfs/dbraw/zinc/22/76/14/454227614.db2.gz ITNAPMGMSBERKX-MRXNPFEDSA-N 0 0 333.501 3.142 50 0 EGAARN C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccccc2-n2cncn2)C1 ZINC000095524119 454227848 /nfs/dbraw/zinc/22/78/48/454227848.db2.gz OUFUSWCBZBUQEO-OAQYLSRUSA-N 0 0 346.434 3.461 50 0 EGAARN CC(C)c1nccn1[C@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000095531483 454229207 /nfs/dbraw/zinc/22/92/07/454229207.db2.gz RTDPZGGTIGDDKE-CYBMUJFWSA-N 0 0 331.464 3.247 50 0 EGAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000059741489 454261155 /nfs/dbraw/zinc/26/11/55/454261155.db2.gz IXVJAGASDVZPSB-ZBFHGGJFSA-N 0 0 328.456 3.249 50 0 EGAARN COC(=O)[C@H]1[C@@H](Cc2ccccc2OC)CCN1C(=O)OC(C)(C)C ZINC000072233792 454276860 /nfs/dbraw/zinc/27/68/60/454276860.db2.gz MFXOZHRFJCQBCM-GDBMZVCRSA-N 0 0 349.427 3.036 50 0 EGAARN COC(=O)N1CCc2ccc(NC(=O)c3cc(C)oc3C)cc2C1 ZINC000096096241 454281205 /nfs/dbraw/zinc/28/12/05/454281205.db2.gz ZGMRXVMBDFSGLH-UHFFFAOYSA-N 0 0 328.368 3.273 50 0 EGAARN CO[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccsc1 ZINC000096097440 454281752 /nfs/dbraw/zinc/28/17/52/454281752.db2.gz IKLJVEKEQPRZHU-CQSZACIVSA-N 0 0 345.873 3.209 50 0 EGAARN Cc1n[nH]c(C)c1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000078604579 454284367 /nfs/dbraw/zinc/28/43/67/454284367.db2.gz GQDGJCONAKPNEH-SFHVURJKSA-N 0 0 339.443 3.349 50 0 EGAARN COC1(CNC(=O)Cc2cccc(C)c2)C2CC3CC(C2)CC1C3 ZINC000096123839 454289705 /nfs/dbraw/zinc/28/97/05/454289705.db2.gz DZWBPDZBVIHVCI-UHFFFAOYSA-N 0 0 327.468 3.495 50 0 EGAARN CSC[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000096132397 454290429 /nfs/dbraw/zinc/29/04/29/454290429.db2.gz UCTVFQSKUVTZKH-CQSZACIVSA-N 0 0 332.469 3.029 50 0 EGAARN COc1ccc([C@@H](NC(=O)c2cnc(NC(C)C)nc2)C2CC2)cc1 ZINC000096133606 454290434 /nfs/dbraw/zinc/29/04/34/454290434.db2.gz VBNRJHQIVQTQEW-KRWDZBQOSA-N 0 0 340.427 3.187 50 0 EGAARN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nc([C@H]2CCOC2)no1 ZINC000096136641 454290621 /nfs/dbraw/zinc/29/06/21/454290621.db2.gz IRFVZQSNAHNXHE-LBPRGKRZSA-N 0 0 328.347 3.182 50 0 EGAARN O=C(c1cccc(O)c1)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 ZINC000096132326 454290894 /nfs/dbraw/zinc/29/08/94/454290894.db2.gz YFGUWNWZMJIRJP-UHFFFAOYSA-N 0 0 337.354 3.120 50 0 EGAARN O=S(=O)(/C=C/c1ccccc1)Nc1cccc(Cn2ccnc2)c1 ZINC000096136887 454291530 /nfs/dbraw/zinc/29/15/30/454291530.db2.gz WZSYSNZRRCAOMX-FMIVXFBMSA-N 0 0 339.420 3.344 50 0 EGAARN COc1cccc([C@@H]2CCN2C(=O)CCc2[nH]nc3c2CCCC3)c1 ZINC000096139356 454292046 /nfs/dbraw/zinc/29/20/46/454292046.db2.gz JRUNHQYLILYSJW-IBGZPJMESA-N 0 0 339.439 3.203 50 0 EGAARN COC1(c2ccccc2)CCN(c2nc3c(s2)c(C)nn3C)CC1 ZINC000096150655 454293057 /nfs/dbraw/zinc/29/30/57/454293057.db2.gz RDYGHWFGLAUIAH-UHFFFAOYSA-N 0 0 342.468 3.480 50 0 EGAARN COC(=O)c1ccc(NC(=O)NCCCn2ccnc2C(C)C)cc1 ZINC000096162632 454295722 /nfs/dbraw/zinc/29/57/22/454295722.db2.gz RMNWIRAIRKZWNV-UHFFFAOYSA-N 0 0 344.415 3.005 50 0 EGAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000096171102 454297084 /nfs/dbraw/zinc/29/70/84/454297084.db2.gz CLEFRMKQNUCHJB-VIFPVBQESA-N 0 0 336.226 3.151 50 0 EGAARN C[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1ccc2[nH]ccc2c1 ZINC000096166443 454297168 /nfs/dbraw/zinc/29/71/68/454297168.db2.gz BJFHKMOOMWVCJG-ZDUSSCGKSA-N 0 0 348.406 3.189 50 0 EGAARN c1ccc(CO[C@H]2CCCN(c3nccc(-c4ccccn4)n3)C2)nc1 ZINC000096180544 454297990 /nfs/dbraw/zinc/29/79/90/454297990.db2.gz ABPSVHYBGVSGAL-KRWDZBQOSA-N 0 0 347.422 3.119 50 0 EGAARN Cc1ccc(NC(=O)NC[C@@H](O)c2ccc3c(c2)CCN3C)cc1C ZINC000096363063 454319719 /nfs/dbraw/zinc/31/97/19/454319719.db2.gz XOBCZCHGJIJYKE-LJQANCHMSA-N 0 0 339.439 3.151 50 0 EGAARN C[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3cccc4ncccc43)cc2C1 ZINC000061720327 454352444 /nfs/dbraw/zinc/35/24/44/454352444.db2.gz GDZPSIRFWOOJFV-LBPRGKRZSA-N 0 0 333.391 3.300 50 0 EGAARN Cc1ccccc1CSc1nnc(NC(=O)[C@H]2CCCO2)s1 ZINC000061997264 454364717 /nfs/dbraw/zinc/36/47/17/454364717.db2.gz NUXLHFVYGZTISP-GFCCVEGCSA-N 0 0 335.454 3.256 50 0 EGAARN Cc1ccc2c(ccn2CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000079193308 454380560 /nfs/dbraw/zinc/38/05/60/454380560.db2.gz JXXFHVUMCIJHDE-RXVVDRJESA-N 0 0 340.467 3.493 50 0 biogenic EGAARN CCn1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1=O ZINC000097087967 454404380 /nfs/dbraw/zinc/40/43/80/454404380.db2.gz CZDBGPUIFSLMJQ-UHFFFAOYSA-N 0 0 330.387 3.368 50 0 EGAARN CCCc1oncc1C(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091256016 454419309 /nfs/dbraw/zinc/41/93/09/454419309.db2.gz CSIBEKNSVGIXDG-UHFFFAOYSA-N 0 0 331.391 3.119 50 0 EGAARN CC(C)n1cc(CN(C)C(=O)c2c[nH]nc2-c2ccccc2F)cn1 ZINC000097172893 454420703 /nfs/dbraw/zinc/42/07/03/454420703.db2.gz CRWFEDGPNVSAMB-UHFFFAOYSA-N 0 0 341.390 3.265 50 0 EGAARN CCCCN1C[C@@]2(CCCN(C(=O)CSC(C)C)C2)CCC1=O ZINC000091288865 454423100 /nfs/dbraw/zinc/42/31/00/454423100.db2.gz LWQGDRRSHVOXPD-GOSISDBHSA-N 0 0 340.533 3.159 50 0 EGAARN CC[C@@](C)(CCNC(=O)c1cc(C(C)=O)n[nH]1)c1ccccc1OC ZINC000097323886 454432049 /nfs/dbraw/zinc/43/20/49/454432049.db2.gz DYSVOJJMRQZBLW-IBGZPJMESA-N 0 0 343.427 3.109 50 0 EGAARN COCCC[C@@H]1CCCCN1C(=O)c1c(F)ccc(OC)c1F ZINC000091381685 454432253 /nfs/dbraw/zinc/43/22/53/454432253.db2.gz PUTYCXMSGCDPCR-LBPRGKRZSA-N 0 0 327.371 3.395 50 0 EGAARN CC(C)NC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000091416471 454433255 /nfs/dbraw/zinc/43/32/55/454433255.db2.gz DPKQHVFCJDLWJI-AWEZNQCLSA-N 0 0 334.370 3.236 50 0 EGAARN COC[C@]1(O)CCN(Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000091440922 454435304 /nfs/dbraw/zinc/43/53/04/454435304.db2.gz RRSXEWDRWBGCQD-MRXNPFEDSA-N 0 0 347.377 3.195 50 0 EGAARN COc1cc(OC)c(-c2oc3ccccc3c(=O)c2OC)cc1OC ZINC000048057096 454436749 /nfs/dbraw/zinc/43/67/49/454436749.db2.gz KQCSWGRWYKMVNF-UHFFFAOYSA-N 0 0 342.347 3.494 50 0 EGAARN Cc1cc(C)n(-c2cccc(CN(C)Cc3noc(C4CC4)n3)c2)n1 ZINC000097660623 454441683 /nfs/dbraw/zinc/44/16/83/454441683.db2.gz QMRPFTQNLZWXON-UHFFFAOYSA-N 0 0 337.427 3.382 50 0 EGAARN O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cccc2nccnc21 ZINC000097675438 454442994 /nfs/dbraw/zinc/44/29/94/454442994.db2.gz LFAAVMPYBFHGFU-CQSZACIVSA-N 0 0 332.285 3.058 50 0 EGAARN COc1ccccc1CCCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000097744989 454445482 /nfs/dbraw/zinc/44/54/82/454445482.db2.gz UKVQHFFWQILPLG-INIZCTEOSA-N 0 0 345.439 3.010 50 0 EGAARN Cc1nn(CCC(=O)N2CCC[C@H]2c2nc(C(C)C)no2)c(C)c1C ZINC000091574733 454445861 /nfs/dbraw/zinc/44/58/61/454445861.db2.gz MMUFHRQZRWLAOA-HNNXBMFYSA-N 0 0 345.447 3.069 50 0 EGAARN CCc1nc(C)c(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)o1 ZINC000097813670 454446177 /nfs/dbraw/zinc/44/61/77/454446177.db2.gz YAWYDXDDWJZACZ-CQSZACIVSA-N 0 0 334.441 3.428 50 0 EGAARN Cc1cccnc1N1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000091562702 454446447 /nfs/dbraw/zinc/44/64/47/454446447.db2.gz RLXXQPUMDNJXED-SFHVURJKSA-N 0 0 335.451 3.159 50 0 EGAARN CCCC[C@@H]1C=CCN1C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000097759431 454446580 /nfs/dbraw/zinc/44/65/80/454446580.db2.gz OMTDNBLQPQQMSP-CQSZACIVSA-N 0 0 336.457 3.361 50 0 EGAARN Cc1n[nH]c(C)c1[C@H](N)C(=O)N(C/C=C/c1ccccc1)CC(C)C ZINC000091563452 454446732 /nfs/dbraw/zinc/44/67/32/454446732.db2.gz XUCUQDPFYHUDEO-BLRBJFNZSA-N 0 0 340.471 3.224 50 0 EGAARN Cc1ccc(-c2cc(C(=O)N(C)CCc3ccccn3)[nH]n2)s1 ZINC000091602750 454449323 /nfs/dbraw/zinc/44/93/23/454449323.db2.gz BEORNXODRRCBQB-UHFFFAOYSA-N 0 0 326.425 3.156 50 0 EGAARN O=C(C[C@@H]1CCc2ccccc21)NCCCn1nnc2ccccc21 ZINC000091616533 454449769 /nfs/dbraw/zinc/44/97/69/454449769.db2.gz GSBTULMLJUQTBD-INIZCTEOSA-N 0 0 334.423 3.058 50 0 EGAARN O=C(C[C@H]1CCc2ccccc21)NCCCn1nnc2ccccc21 ZINC000091616532 454449987 /nfs/dbraw/zinc/44/99/87/454449987.db2.gz GSBTULMLJUQTBD-MRXNPFEDSA-N 0 0 334.423 3.058 50 0 EGAARN CCCc1nc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cs1 ZINC000091619976 454450128 /nfs/dbraw/zinc/45/01/28/454450128.db2.gz HDXKEWABZDMRNF-UHFFFAOYSA-N 0 0 343.452 3.152 50 0 EGAARN Cc1cccc(-n2nc(-c3ccccc3)nc2CS(C)(=O)=O)c1C ZINC000063847733 454454724 /nfs/dbraw/zinc/45/47/24/454454724.db2.gz OVEGQUSKTZYFGX-UHFFFAOYSA-N 0 0 341.436 3.096 50 0 EGAARN COc1ccc2c(cc(C(=O)N[C@@H](C)Cc3ncccc3C)n2C)c1 ZINC000091644237 454454768 /nfs/dbraw/zinc/45/47/68/454454768.db2.gz WLVVOOMFPSKNPN-AWEZNQCLSA-N 0 0 337.423 3.251 50 0 EGAARN Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 ZINC000091664746 454454983 /nfs/dbraw/zinc/45/49/83/454454983.db2.gz VPWLWUFKQFZRIP-KRWDZBQOSA-N 0 0 348.487 3.428 50 0 EGAARN CCCc1nc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)cs1 ZINC000091680080 454456092 /nfs/dbraw/zinc/45/60/92/454456092.db2.gz RXUJKVIPXLVKEB-UHFFFAOYSA-N 0 0 344.484 3.045 50 0 EGAARN Cc1nc(C(C)C)sc1C(=O)NCCN1CCc2ccccc21 ZINC000091690314 454459278 /nfs/dbraw/zinc/45/92/78/454459278.db2.gz KMTVGDWNLRRRGE-UHFFFAOYSA-N 0 0 329.469 3.367 50 0 EGAARN CCN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@@H]1CCOC(C)(C)C1 ZINC000091725757 454461650 /nfs/dbraw/zinc/46/16/50/454461650.db2.gz ZBNGOPZKDMGTQM-CQSZACIVSA-N 0 0 343.427 3.202 50 0 EGAARN O=C(N1CC[C@]2(C1)CCCNC2=O)C1(c2ccccc2)CCCCC1 ZINC000091754877 454466449 /nfs/dbraw/zinc/46/64/49/454466449.db2.gz KYTCJDTTXIFOFE-FQEVSTJZSA-N 0 0 340.467 3.017 50 0 EGAARN Cc1nc[nH]c1CSCCNC(=O)C[C@@H]1CCc2ccccc21 ZINC000091757471 454466604 /nfs/dbraw/zinc/46/66/04/454466604.db2.gz SFBNSEYORMCIJK-HNNXBMFYSA-N 0 0 329.469 3.188 50 0 EGAARN Cc1cc(C)n(C[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)n1 ZINC000100931177 454468620 /nfs/dbraw/zinc/46/86/20/454468620.db2.gz IIGGZKBWHHBZLT-CYBMUJFWSA-N 0 0 331.803 3.041 50 0 EGAARN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)Nc1ccnc(N)n1 ZINC000091859562 454483721 /nfs/dbraw/zinc/48/37/21/454483721.db2.gz DXUTXWRIBYFTPV-CYBMUJFWSA-N 0 0 341.463 3.101 50 0 EGAARN C[C@@H]1CCc2sc(C(=O)NCCc3noc(C4CC4)n3)cc2C1 ZINC000091951235 454492486 /nfs/dbraw/zinc/49/24/86/454492486.db2.gz QWJGQHTWOGWDNP-SNVBAGLBSA-N 0 0 331.441 3.106 50 0 EGAARN C[C@H]1CCc2sc(C(=O)NCCc3noc(C4CC4)n3)cc2C1 ZINC000091951237 454492836 /nfs/dbraw/zinc/49/28/36/454492836.db2.gz QWJGQHTWOGWDNP-JTQLQIEISA-N 0 0 331.441 3.106 50 0 EGAARN CC[C@@H](NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1cnn(C)c1 ZINC000091985756 454500442 /nfs/dbraw/zinc/50/04/42/454500442.db2.gz BOUWUHHZTBBVIN-GFCCVEGCSA-N 0 0 329.429 3.061 50 0 EGAARN CN(C)c1ccc(NC(=O)COC(=O)c2nccc3ccccc32)cc1 ZINC000064733736 454500869 /nfs/dbraw/zinc/50/08/69/454500869.db2.gz HPAGFVLYASJFCM-UHFFFAOYSA-N 0 0 349.390 3.096 50 0 EGAARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1sc(C(C)C)nc1C ZINC000092038950 454506307 /nfs/dbraw/zinc/50/63/07/454506307.db2.gz JHEORKMCSQUWTA-CYBMUJFWSA-N 0 0 337.489 3.048 50 0 EGAARN CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccccc1 ZINC000102453304 454506464 /nfs/dbraw/zinc/50/64/64/454506464.db2.gz VDEIXYMRUQPRNE-ZDUSSCGKSA-N 0 0 336.395 3.202 50 0 EGAARN O=C1CC[C@@]2(CCOC2)CN1Cc1nc(-c2ccccc2)cs1 ZINC000092062213 454511135 /nfs/dbraw/zinc/51/11/35/454511135.db2.gz MEOPOJOASRNRLU-GOSISDBHSA-N 0 0 328.437 3.339 50 0 EGAARN CC(C)Cc1noc([C@@H](C)NC(=O)c2ccc3cccc(F)c3n2)n1 ZINC000092077131 454518008 /nfs/dbraw/zinc/51/80/08/454518008.db2.gz LSOULJGMZUAVMD-LLVKDONJSA-N 0 0 342.374 3.446 50 0 EGAARN CCn1ccnc1C1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000092078401 454518073 /nfs/dbraw/zinc/51/80/73/454518073.db2.gz BONNHYMUHSMOHU-UHFFFAOYSA-N 0 0 333.819 3.282 50 0 EGAARN CN(Cc1ccc2nsnc2c1)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000092081546 454519835 /nfs/dbraw/zinc/51/98/35/454519835.db2.gz DONZUQDKWSLSDC-UHFFFAOYSA-N 0 0 349.419 3.354 50 0 EGAARN COc1cc(NC(=O)N2CCC[C@H]2c2cc(C)on2)cc(OC)c1 ZINC000064984915 454521341 /nfs/dbraw/zinc/52/13/41/454521341.db2.gz FORLYRPOGMISMP-INIZCTEOSA-N 0 0 331.372 3.369 50 0 EGAARN O=C1COc2ccccc2N1Cc1nc(-c2ccccc2Cl)no1 ZINC000049002824 454527566 /nfs/dbraw/zinc/52/75/66/454527566.db2.gz LXGNEUGQZQUBDO-UHFFFAOYSA-N 0 0 341.754 3.316 50 0 EGAARN Cc1ccccc1-c1noc(-c2nn(-c3ccccc3)ccc2=O)n1 ZINC000049006309 454527678 /nfs/dbraw/zinc/52/76/78/454527678.db2.gz JHGNORYXDCCFHQ-UHFFFAOYSA-N 0 0 330.347 3.258 50 0 EGAARN Nc1c(Br)cc2c(c1Br)OC(F)(F)O2 ZINC000065336855 454553137 /nfs/dbraw/zinc/55/31/37/454553137.db2.gz CFCPODBJJBRXPL-UHFFFAOYSA-N 0 0 330.910 3.115 50 0 EGAARN CC(C)Cc1nc([C@@H](C)Cn2cncn2)n(-c2ccc(F)cc2)n1 ZINC000065369878 454555072 /nfs/dbraw/zinc/55/50/72/454555072.db2.gz ZHISHDRSXSSZOK-ZDUSSCGKSA-N 0 0 328.395 3.000 50 0 EGAARN COc1ccccc1-n1nc(CC(C)C)nc1[C@H](C)n1ccnc1 ZINC000065375583 454556728 /nfs/dbraw/zinc/55/67/28/454556728.db2.gz JZYGMHKVDMSMBV-AWEZNQCLSA-N 0 0 325.416 3.280 50 0 EGAARN CCn1ncc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1C ZINC000065394978 454558428 /nfs/dbraw/zinc/55/84/28/454558428.db2.gz MBRLGHBFBNXEOO-MRXNPFEDSA-N 0 0 343.427 3.252 50 0 EGAARN COc1cc2c(cc1-c1c(-c3ccccc3)ncn1CC(N)=O)CCC2 ZINC000065394685 454558957 /nfs/dbraw/zinc/55/89/57/454558957.db2.gz ROXCXYZAEZRGKS-UHFFFAOYSA-N 0 0 347.418 3.200 50 0 EGAARN Cc1cc(-c2c(-c3ccccc3)ncn2C(C)(CO)CO)oc1C ZINC000065398457 454560168 /nfs/dbraw/zinc/56/01/68/454560168.db2.gz IWTZEJILNQEMCU-UHFFFAOYSA-N 0 0 326.396 3.127 50 0 EGAARN CCCc1nc(C)cc(NCc2csc(-c3cnccn3)n2)n1 ZINC000065409301 454561809 /nfs/dbraw/zinc/56/18/09/454561809.db2.gz MOTOAZRXGVTNCJ-UHFFFAOYSA-N 0 0 326.429 3.263 50 0 EGAARN C[C@H](C(=O)Nc1cccc2c1ccn2C)N1Cc2ccccc2C1=O ZINC000080332956 454567298 /nfs/dbraw/zinc/56/72/98/454567298.db2.gz MALBXWZVKUAKFV-CYBMUJFWSA-N 0 0 333.391 3.161 50 0 EGAARN CCSCCN(C(=O)c1nnc2n1CCCC2)C1CCCCC1 ZINC000065452514 454569262 /nfs/dbraw/zinc/56/92/62/454569262.db2.gz BHRUTJPQZQTMNP-UHFFFAOYSA-N 0 0 336.505 3.142 50 0 EGAARN Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc3cc(C)ccc3nc1C)C2 ZINC000065457326 454570645 /nfs/dbraw/zinc/57/06/45/454570645.db2.gz KXTQWAAYOOXEPI-MRXNPFEDSA-N 0 0 334.423 3.101 50 0 EGAARN CSCCC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000065462493 454571122 /nfs/dbraw/zinc/57/11/22/454571122.db2.gz NOHFAQCEUTVJQH-ZWKOTPCHSA-N 0 0 329.465 3.270 50 0 EGAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)no1 ZINC000065461660 454571154 /nfs/dbraw/zinc/57/11/54/454571154.db2.gz MZXGNWQAYNJKDM-CYBMUJFWSA-N 0 0 347.440 3.011 50 0 EGAARN 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O=c1[nH]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000004623527 280385909 /nfs/dbraw/zinc/38/59/09/280385909.db2.gz DOVFXZWYXSKZIF-INIZCTEOSA-N 0 0 341.370 3.454 50 0 EGAARN CC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1C(=O)OC(C)C ZINC000000132116 281656701 /nfs/dbraw/zinc/65/67/01/281656701.db2.gz ATFQUAPQWHRSIV-CQSZACIVSA-N 0 0 332.791 3.172 50 0 EGAARN Cc1nn(C)cc1[C@@H](C)NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000002805491 293789338 /nfs/dbraw/zinc/78/93/38/293789338.db2.gz NYVVTKIXHQXGMX-YPMHNXCESA-N 0 0 344.459 3.359 50 0 EGAARN Cn1c2ccn3cc(C4C5CC6CC(C5)CC4C6)nc3c2n(C)c1=O ZINC000001279926 294192349 /nfs/dbraw/zinc/19/23/49/294192349.db2.gz WPLJQDQYZVAEJN-UHFFFAOYSA-N 0 0 336.439 3.064 50 0 EGAARN COc1cccc([C@H]2CC(=O)c3cc4c(cc3N2)OCO4)c1OC ZINC000079193708 295327088 /nfs/dbraw/zinc/32/70/88/295327088.db2.gz PZGBKVUXUZQLPW-GFCCVEGCSA-N 0 0 327.336 3.172 50 0 biogenic EGAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3C)c1OC ZINC000044893860 295329643 /nfs/dbraw/zinc/32/96/43/295329643.db2.gz QAKLDCZSXRHDKF-OAHLLOKOSA-N 0 0 333.413 3.170 50 0 EGAARN Cc1cc(Br)c(S(=O)(=O)NC(C)C)cc1Cl ZINC000054363097 301069125 /nfs/dbraw/zinc/06/91/25/301069125.db2.gz NXWHYAMQJWSZTG-UHFFFAOYSA-N 0 0 326.643 3.098 50 0 EGAARN CCOC(=O)Cc1ccc(Br)c(Br)c1F ZINC000263623862 456178656 /nfs/dbraw/zinc/17/86/56/456178656.db2.gz LKCOAAXRNJEIBN-UHFFFAOYSA-N 0 0 339.986 3.456 50 0 EGAARN Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3F)C2)nc1 ZINC000238922845 455260066 /nfs/dbraw/zinc/26/00/66/455260066.db2.gz UGKJKNJOMCRHEH-LLVKDONJSA-N 0 0 336.313 3.101 50 0 EGAARN Cc1nc2cc(NC(=O)c3cc(N4CCCC4)ncn3)ccc2s1 ZINC000238920044 455260186 /nfs/dbraw/zinc/26/01/86/455260186.db2.gz SXOSVDCVMBHUGF-UHFFFAOYSA-N 0 0 339.424 3.247 50 0 EGAARN Cc1cccc2[nH]c(CN(C)CCC(=O)Nc3ccccc3F)nc21 ZINC000240228090 455263639 /nfs/dbraw/zinc/26/36/39/455263639.db2.gz KFXHIALJSUHVFU-UHFFFAOYSA-N 0 0 340.402 3.471 50 0 EGAARN Fc1ccc2[nH]c3c(c2c1)CN(Cc1nnc(-c2cccnc2)o1)CC3 ZINC000240936868 455265185 /nfs/dbraw/zinc/26/51/85/455265185.db2.gz SFDBNJDZUCEJPD-UHFFFAOYSA-N 0 0 349.369 3.310 50 0 EGAARN Cc1ccc(NCCCNC(=O)Nc2ccc3c(c2)COC3)nc1 ZINC000244724456 455276079 /nfs/dbraw/zinc/27/60/79/455276079.db2.gz MUMALANVLPECKF-UHFFFAOYSA-N 0 0 326.400 3.044 50 0 EGAARN CC(=O)Nc1ccc(-c2nccn2C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000244858650 455276912 /nfs/dbraw/zinc/27/69/12/455276912.db2.gz VPKSCWIWUVCOHK-KOMQPUFPSA-N 0 0 341.411 3.400 50 0 EGAARN Brc1ccc([C@@H]2CSc3c4ncnc-4ncn32)cc1 ZINC000000036776 452493462 /nfs/dbraw/zinc/49/34/62/452493462.db2.gz UPHWMGIYFVPLPH-JTQLQIEISA-N 0 0 333.214 3.236 50 0 EGAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000000044312 452495890 /nfs/dbraw/zinc/49/58/90/452495890.db2.gz CDQGMFNWLQXNNI-LBPRGKRZSA-N 0 0 344.798 3.340 50 0 EGAARN COc1cccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)c1 ZINC000000065860 452496079 /nfs/dbraw/zinc/49/60/79/452496079.db2.gz GQTJYGPIGOAYQD-QGZVFWFLSA-N 0 0 339.395 3.073 50 0 EGAARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3OC)CC2=O)cc1 ZINC000000045014 452496100 /nfs/dbraw/zinc/49/61/00/452496100.db2.gz XHERZIKRFACIEJ-HNNXBMFYSA-N 0 0 338.407 3.249 50 0 EGAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000000074175 452497864 /nfs/dbraw/zinc/49/78/64/452497864.db2.gz FIZZATGMPKKGCT-UHFFFAOYSA-N 0 0 338.473 3.282 50 0 EGAARN COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2)cc1 ZINC000000068903 452499067 /nfs/dbraw/zinc/49/90/67/452499067.db2.gz XXOLJLSMYOIFPG-INIZCTEOSA-N 0 0 335.450 3.132 50 0 EGAARN Cc1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)no1 ZINC000000099295 452506290 /nfs/dbraw/zinc/50/62/90/452506290.db2.gz OMQKZSHQJJFLCK-UHFFFAOYSA-N 0 0 347.330 3.036 50 0 EGAARN Cc1nc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2C)cs1 ZINC000000117928 452512105 /nfs/dbraw/zinc/51/21/05/452512105.db2.gz HNOUMCRXNYTHDH-UHFFFAOYSA-N 0 0 348.428 3.361 50 0 EGAARN O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000000115559 452512474 /nfs/dbraw/zinc/51/24/74/452512474.db2.gz FTMSPTYSABDDMV-UHFFFAOYSA-N 0 0 346.789 3.077 50 0 EGAARN COc1cc(NC(=O)c2cccnc2)c(OC)cc1Br ZINC000000117403 452513005 /nfs/dbraw/zinc/51/30/05/452513005.db2.gz GWAHJIKNGRZVNZ-UHFFFAOYSA-N 0 0 337.173 3.114 50 0 EGAARN CC[C@H]1CCCCN1C1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O ZINC000000121700 452513873 /nfs/dbraw/zinc/51/38/73/452513873.db2.gz VGPGZWSPFWNOMA-LBPRGKRZSA-N 0 0 348.830 3.283 50 0 EGAARN CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000000138060 452517964 /nfs/dbraw/zinc/51/79/64/452517964.db2.gz OZGFRZBKUHHUBO-WEVVVXLNSA-N 0 0 341.363 3.475 50 0 EGAARN CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000000145834 452521101 /nfs/dbraw/zinc/52/11/01/452521101.db2.gz FGGZEUCIGPCBGW-CYBMUJFWSA-N 0 0 343.379 3.278 50 0 EGAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000000149377 452523279 /nfs/dbraw/zinc/52/32/79/452523279.db2.gz QOPQHRNNPBGTMT-UHFFFAOYSA-N 0 0 346.745 3.270 50 0 EGAARN Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12 ZINC000000153353 452523691 /nfs/dbraw/zinc/52/36/91/452523691.db2.gz NZEOJVLAZMAUNF-UHFFFAOYSA-N 0 0 333.340 3.041 50 0 EGAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(Cl)ccc2[nH]1 ZINC000000156310 452525774 /nfs/dbraw/zinc/52/57/74/452525774.db2.gz MWOSBWXJYFJMDO-UHFFFAOYSA-N 0 0 328.755 3.480 50 0 EGAARN Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000000172504 452527471 /nfs/dbraw/zinc/52/74/71/452527471.db2.gz CCYJBTFIMIMHSX-QGZVFWFLSA-N 0 0 336.435 3.290 50 0 EGAARN CCOC(=O)[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000000197333 452533211 /nfs/dbraw/zinc/53/32/11/452533211.db2.gz HVNSDYQAEAPJQS-SFHVURJKSA-N 0 0 337.419 3.388 50 0 EGAARN O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000207325 452534831 /nfs/dbraw/zinc/53/48/31/452534831.db2.gz CBIOPCFGNPZHPS-AWEZNQCLSA-N 0 0 328.799 3.009 50 0 EGAARN CCOC(=O)C1CCN(Cc2ccc(Br)s2)CC1 ZINC000000239565 452543328 /nfs/dbraw/zinc/54/33/28/452543328.db2.gz UVZGXYVKHLOQTG-UHFFFAOYSA-N 0 0 332.263 3.286 50 0 EGAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000248613 452545534 /nfs/dbraw/zinc/54/55/34/452545534.db2.gz WNCGSGHQYPBMDW-UHFFFAOYSA-N 0 0 346.814 3.438 50 0 EGAARN CCCc1cc(C(=O)Cc2ccc(C(=O)OCC)o2)c(O)cc1O ZINC000000241869 452546399 /nfs/dbraw/zinc/54/63/99/452546399.db2.gz QTTFMEHZDLTCDR-UHFFFAOYSA-N 0 0 332.352 3.245 50 0 biogenic EGAARN CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Cl)cc1)C(=O)N2 ZINC000000303020 452559219 /nfs/dbraw/zinc/55/92/19/452559219.db2.gz AHFKZGSXMZEVAW-SFHVURJKSA-N 0 0 329.783 3.315 50 0 EGAARN Cc1c(C=O)c2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000000309763 452560200 /nfs/dbraw/zinc/56/02/00/452560200.db2.gz USDSSXOEAXCOCO-UHFFFAOYSA-N 0 0 332.403 3.347 50 0 EGAARN COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000311790 452561234 /nfs/dbraw/zinc/56/12/34/452561234.db2.gz ISJIVTGWJKKBTP-UHFFFAOYSA-N 0 0 329.375 3.188 50 0 EGAARN O=C1C[C@@H](n2cnc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000000338721 452566771 /nfs/dbraw/zinc/56/67/71/452566771.db2.gz NZRAYUQQZNZYJQ-OAHLLOKOSA-N 0 0 325.755 3.194 50 0 EGAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCc1c[nH]c2ccccc12 ZINC000000351822 452568352 /nfs/dbraw/zinc/56/83/52/452568352.db2.gz PPTXCMIFAFNOHM-HUUCEWRRSA-N 0 0 328.799 3.228 50 0 EGAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 ZINC000000358514 452570830 /nfs/dbraw/zinc/57/08/30/452570830.db2.gz WLZWNNSWXNPSOU-UHFFFAOYSA-N 0 0 344.436 3.453 50 0 EGAARN COc1cc(NC(=O)COc2ccc(C)cc2C)cc(OC)c1OC ZINC000000370839 452573997 /nfs/dbraw/zinc/57/39/97/452573997.db2.gz PSSLLNIPOHEBKC-UHFFFAOYSA-N 0 0 345.395 3.347 50 0 EGAARN O=S(=O)(NCCc1ccccc1)c1ccc(Br)s1 ZINC000000382496 452576330 /nfs/dbraw/zinc/57/63/30/452576330.db2.gz YEXAETJIDJUITM-UHFFFAOYSA-N 0 0 346.271 3.032 50 0 EGAARN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000000381984 452576354 /nfs/dbraw/zinc/57/63/54/452576354.db2.gz GIWWFXBLEIHLRJ-UHFFFAOYSA-N 0 0 345.402 3.306 50 0 EGAARN N=C1C(=O)OC[C@@H]1c1cc(Cl)ccc1NC(=O)c1cccs1 ZINC000000383407 452576709 /nfs/dbraw/zinc/57/67/09/452576709.db2.gz ZSEASTUFLCOZHN-SNVBAGLBSA-N 0 0 334.784 3.314 50 0 EGAARN COc1ccccc1N1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000000386893 452577780 /nfs/dbraw/zinc/57/77/80/452577780.db2.gz RNYZIMWTJMDRBH-UHFFFAOYSA-N 0 0 329.375 3.188 50 0 EGAARN Cc1cccc(NC(=O)CCSc2nnnn2-c2ccccc2)c1 ZINC000000386153 452577822 /nfs/dbraw/zinc/57/78/22/452577822.db2.gz NMQCRLBZKJMXHU-UHFFFAOYSA-N 0 0 339.424 3.092 50 0 EGAARN COc1cccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000000427042 452589034 /nfs/dbraw/zinc/58/90/34/452589034.db2.gz NLTFITPHNKWARL-HXUWFJFHSA-N 0 0 344.455 3.025 50 0 EGAARN Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)o1 ZINC000000442514 452592528 /nfs/dbraw/zinc/59/25/28/452592528.db2.gz PJEKRRQVIVVKIS-CMDGGOBGSA-N 0 0 330.409 3.279 50 0 EGAARN CN(C)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000000456966 452597376 /nfs/dbraw/zinc/59/73/76/452597376.db2.gz QFSWBNZBPXNTCF-MDWZMJQESA-N 0 0 325.437 3.279 50 0 EGAARN CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C ZINC000000460994 452598451 /nfs/dbraw/zinc/59/84/51/452598451.db2.gz MPOLNFPMQJQWSP-UHFFFAOYSA-N 0 0 325.364 3.302 50 0 EGAARN COc1ccc(CCNC(=O)/C=C/c2ccc(C)cc2)cc1OC ZINC000000461292 452599331 /nfs/dbraw/zinc/59/93/31/452599331.db2.gz STVHTKQQTQHULN-PKNBQFBNSA-N 0 0 325.408 3.384 50 0 EGAARN COc1cccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1 ZINC000000474844 452603474 /nfs/dbraw/zinc/60/34/74/452603474.db2.gz GXUZOFCNTXAVMN-UHFFFAOYSA-N 0 0 348.402 3.383 50 0 EGAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCOCC3)c2c1 ZINC000000477184 452603507 /nfs/dbraw/zinc/60/35/07/452603507.db2.gz IRLSOIHIDJGJML-UHFFFAOYSA-N 0 0 333.391 3.078 50 0 EGAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000000482219 452606461 /nfs/dbraw/zinc/60/64/61/452606461.db2.gz UWIBXBVEFKMUGN-UHFFFAOYSA-N 0 0 333.409 3.361 50 0 EGAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)cc1OC ZINC000000521396 452612447 /nfs/dbraw/zinc/61/24/47/452612447.db2.gz RNPSRUXKALCOTR-CQSZACIVSA-N 0 0 330.409 3.463 50 0 EGAARN Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)c1 ZINC000000528018 452614347 /nfs/dbraw/zinc/61/43/47/452614347.db2.gz HUSPNJMHMWZJHY-UHFFFAOYSA-N 0 0 345.472 3.079 50 0 EGAARN COc1cccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 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3.146 50 0 EGAARN O=C(NC1CCCC1)c1ccc(Cn2cnc3ccccc3c2=O)cc1 ZINC000036367297 202323819 /nfs/dbraw/zinc/32/38/19/202323819.db2.gz NLDOMPATKQETIN-UHFFFAOYSA-N 0 0 347.418 3.117 50 0 EGAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(C)c32)cc1 ZINC000036613969 202325731 /nfs/dbraw/zinc/32/57/31/202325731.db2.gz VNWPNFDZOYCXJS-NSHDSACASA-N 0 0 325.368 3.339 50 0 EGAARN O=C(NCc1ccc(Cl)cc1)NC[C@@](O)(c1ccco1)C1CC1 ZINC000075155001 202376244 /nfs/dbraw/zinc/37/62/44/202376244.db2.gz BGMYLKFJCDWPSN-KRWDZBQOSA-N 0 0 334.803 3.030 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)Nc1cnc(N2CCCC2)nc1 ZINC000075161956 202377344 /nfs/dbraw/zinc/37/73/44/202377344.db2.gz RITOGNQOTYSZFO-UHFFFAOYSA-N 0 0 347.806 3.383 50 0 EGAARN Cc1cc(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)no1 ZINC000075165892 202378259 /nfs/dbraw/zinc/37/82/59/202378259.db2.gz ADOGSJUOCKWRED-GJZGRUSLSA-N 0 0 343.383 3.273 50 0 EGAARN O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc2ncsc2c1 ZINC000075166284 202378371 /nfs/dbraw/zinc/37/83/71/202378371.db2.gz 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/nfs/dbraw/zinc/05/55/12/201055512.db2.gz CSMXIBIQYWWXKT-UHFFFAOYSA-N 0 0 345.267 3.017 50 0 EGAARN O=C(Nc1ccccn1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000017200479 201058524 /nfs/dbraw/zinc/05/85/24/201058524.db2.gz ZALBQHFNMDYMAC-UHFFFAOYSA-N 0 0 343.342 3.135 50 0 EGAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCC(c2cc[nH]n2)CC1 ZINC000058209487 201141619 /nfs/dbraw/zinc/14/16/19/201141619.db2.gz AFFFBZQDBKDANB-LLVKDONJSA-N 0 0 329.429 3.462 50 0 EGAARN Cc1csc(C(=O)NC[C@](O)(c2ccoc2)c2cccs2)c1 ZINC000240002187 201152305 /nfs/dbraw/zinc/15/23/05/201152305.db2.gz POFUYPBCQHJJOA-INIZCTEOSA-N 0 0 333.434 3.377 50 0 EGAARN Cc1csc([C@@H]2CN(Cc3ccn(-c4ccccc4)n3)CCO2)n1 ZINC000065473755 201153701 /nfs/dbraw/zinc/15/37/01/201153701.db2.gz YBMATTGXTUEPIE-KRWDZBQOSA-N 0 0 340.452 3.211 50 0 EGAARN COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1 ZINC000008566623 201363652 /nfs/dbraw/zinc/36/36/52/201363652.db2.gz DNROKXBEUNUVPV-UHFFFAOYSA-N 0 0 340.335 3.370 50 0 biogenic EGAARN COc1cccc2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)oc21 ZINC000013683870 201365811 /nfs/dbraw/zinc/36/58/11/201365811.db2.gz VQXANGMBMYLZDQ-UHFFFAOYSA-N 0 0 348.362 3.334 50 0 EGAARN C[C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCCC4)C[C@H](C)O1 ZINC000020437019 201371024 /nfs/dbraw/zinc/37/10/24/201371024.db2.gz AMGBGHBXOUJYSW-KBPBESRZSA-N 0 0 327.424 3.281 50 0 EGAARN CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc(CC)cc23)CC1 ZINC000004353942 201360916 /nfs/dbraw/zinc/36/09/16/201360916.db2.gz GPHXAQNDAYFLCV-UHFFFAOYSA-N 0 0 343.423 3.131 50 0 biogenic EGAARN COc1ccc(-c2nc(N)ncc2Oc2ccccc2OC)c(O)c1 ZINC000005577197 201361268 /nfs/dbraw/zinc/36/12/68/201361268.db2.gz QOHOZXNEMRUQGV-UHFFFAOYSA-N 0 0 339.351 3.241 50 0 EGAARN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(C(F)(F)F)c1 ZINC000153120818 201392967 /nfs/dbraw/zinc/39/29/67/201392967.db2.gz OSIKIADYDOTIOC-CQSZACIVSA-N 0 0 335.329 3.109 50 0 EGAARN COc1ccccc1-c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000049060274 202615685 /nfs/dbraw/zinc/61/56/85/202615685.db2.gz BOGILOUKYMQOOL-ZDUSSCGKSA-N 0 0 335.363 3.266 50 0 EGAARN CCCC(=O)Nc1ccc(CC(=O)N(C)[C@H](C)c2ccon2)cc1 ZINC000055041919 202677028 /nfs/dbraw/zinc/67/70/28/202677028.db2.gz VEVUJUDRNUXUKT-CYBMUJFWSA-N 0 0 329.400 3.175 50 0 EGAARN COCCN(Cc1cccs1)C(=O)c1cn2cc(Cl)ccc2n1 ZINC000055074557 202678743 /nfs/dbraw/zinc/67/87/43/202678743.db2.gz KLUAQCRQGYYNNT-UHFFFAOYSA-N 0 0 349.843 3.338 50 0 EGAARN Cc1n[nH]c(C)c1CCC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000055309666 202688013 /nfs/dbraw/zinc/68/80/13/202688013.db2.gz KCEJRSIKNHMVNK-MRXNPFEDSA-N 0 0 347.484 3.228 50 0 EGAARN COC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCC2 ZINC000000038774 201425556 /nfs/dbraw/zinc/42/55/56/201425556.db2.gz RXBMTSQCHASDOU-UHFFFAOYSA-N 0 0 331.393 3.041 50 0 EGAARN COc1cccc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCCCC2)c1 ZINC000022609769 212310312 /nfs/dbraw/zinc/31/03/12/212310312.db2.gz CPGOEMWYRDVCAT-CQSZACIVSA-N 0 0 344.440 3.080 50 0 EGAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)Nc1ccc(F)cc1 ZINC000022679202 212315579 /nfs/dbraw/zinc/31/55/79/212315579.db2.gz KJNJDOUPJKDWCZ-MRXNPFEDSA-N 0 0 349.431 3.082 50 0 EGAARN COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000082077 201432227 /nfs/dbraw/zinc/43/22/27/201432227.db2.gz KEPSUTDQLPITDO-UHFFFAOYSA-N 0 0 345.362 3.346 50 0 EGAARN CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(N)=O ZINC000000116283 201436406 /nfs/dbraw/zinc/43/64/06/201436406.db2.gz RWADDBKTOHEPSL-UHFFFAOYSA-N 0 0 326.396 3.101 50 0 EGAARN O=C(CSC1=NN[C@H](c2ccccn2)S1)Nc1ccccc1 ZINC000000127371 201438059 /nfs/dbraw/zinc/43/80/59/201438059.db2.gz QQXUHMOOSXZQGF-AWEZNQCLSA-N 0 0 330.438 3.060 50 0 EGAARN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000000185806 201444954 /nfs/dbraw/zinc/44/49/54/201444954.db2.gz YMQFPVYUBLHIRU-UHFFFAOYSA-N 0 0 333.391 3.012 50 0 EGAARN COC(=O)NC1CCC(CC2CCC(NC(=O)OC)CC2)CC1 ZINC000000214859 201449586 /nfs/dbraw/zinc/44/95/86/201449586.db2.gz KQDNPOILBBPBNT-UHFFFAOYSA-N 0 0 326.437 3.206 50 0 EGAARN c1cncc([C@H]2CN(Cc3cnc(C4CCCCC4)nc3)CCO2)c1 ZINC000215131571 241107617 /nfs/dbraw/zinc/10/76/17/241107617.db2.gz BVBGNAOPGDFCNJ-LJQANCHMSA-N 0 0 338.455 3.493 50 0 EGAARN O=C([C@@H]1CCc2ccccc21)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000215177959 241112228 /nfs/dbraw/zinc/11/22/28/241112228.db2.gz KBDLTIIRAPOUOW-LJQANCHMSA-N 0 0 339.410 3.366 50 0 EGAARN Cc1nnc([C@H]2CCCN2Cc2cccc(OCc3ccccn3)c2)[nH]1 ZINC000216176037 241172550 /nfs/dbraw/zinc/17/25/50/241172550.db2.gz JNHVMMPTMCHGIX-LJQANCHMSA-N 0 0 349.438 3.424 50 0 EGAARN CCCN(Cc1ccc(SC)cc1)C(=O)c1cccn(C)c1=O ZINC000216221196 241174448 /nfs/dbraw/zinc/17/44/48/241174448.db2.gz VSHAJWRCHVDOMT-UHFFFAOYSA-N 0 0 330.453 3.160 50 0 EGAARN O=C(CCc1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1ccccn1 ZINC000216450733 241196546 /nfs/dbraw/zinc/19/65/46/241196546.db2.gz PXOHJCGEHVICQI-QGZVFWFLSA-N 0 0 338.407 3.497 50 0 EGAARN CCn1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCC2)n1 ZINC000215397581 241123210 /nfs/dbraw/zinc/12/32/10/241123210.db2.gz RTQPMINRLCXMLE-QGZVFWFLSA-N 0 0 346.862 3.123 50 0 EGAARN O=C(NC[C@H]1CCc2ccccc2O1)c1cc(-c2ccccc2)on1 ZINC000215584072 241133441 /nfs/dbraw/zinc/13/34/41/241133441.db2.gz RBCJYUJFFPUWJB-MRXNPFEDSA-N 0 0 334.375 3.465 50 0 EGAARN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000000249201 201453981 /nfs/dbraw/zinc/45/39/81/201453981.db2.gz UJFDGGPUQFRGFJ-UHFFFAOYSA-N 0 0 345.779 3.297 50 0 EGAARN Cc1ccc(-n2nnnc2-c2cnc3cc4c(cc3c2C)OCO4)cc1 ZINC000000340677 201462224 /nfs/dbraw/zinc/46/22/24/201462224.db2.gz PCGVSPMFYYNMAX-UHFFFAOYSA-N 0 0 345.362 3.223 50 0 EGAARN C[C@@H](Oc1ccccc1)C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217986964 241289412 /nfs/dbraw/zinc/28/94/12/241289412.db2.gz QPEAMSNBVSEOGX-JLTOFOAXSA-N 0 0 339.391 3.224 50 0 EGAARN CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1 ZINC000000410678 201468604 /nfs/dbraw/zinc/46/86/04/201468604.db2.gz YSMPOOYRANRTDV-UHFFFAOYSA-N 0 0 330.457 3.116 50 0 EGAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCC[C@H](C)C4)sc3nc12 ZINC000000426917 201471816 /nfs/dbraw/zinc/47/18/16/201471816.db2.gz HUEHMZLJWZUFFT-NSHDSACASA-N 0 0 341.436 3.090 50 0 EGAARN O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F ZINC000000435965 201473493 /nfs/dbraw/zinc/47/34/93/201473493.db2.gz ZSBQKJSMTOXTJD-KRWDZBQOSA-N 0 0 348.324 3.117 50 0 EGAARN Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000000281471 201457438 /nfs/dbraw/zinc/45/74/38/201457438.db2.gz ZDRDNQVTFQYDQZ-UHFFFAOYSA-N 0 0 346.452 3.017 50 0 EGAARN CC[C@@H](NC(=O)c1cc2c(cc1C)OCCO2)c1cccc(C)n1 ZINC000218917264 241350390 /nfs/dbraw/zinc/35/03/90/241350390.db2.gz WBSOKILHDDUEPR-OAHLLOKOSA-N 0 0 326.396 3.351 50 0 EGAARN COc1cc(C=O)cc(Br)c1OC(=O)c1ccco1 ZINC000000615705 201490472 /nfs/dbraw/zinc/49/04/72/201490472.db2.gz ZGXWXDGQUUHJQZ-UHFFFAOYSA-N 0 0 325.114 3.082 50 0 EGAARN O=C(OCc1ccc(C(=O)Oc2ccccc2)cc1)c1cnccn1 ZINC000000618398 201490774 /nfs/dbraw/zinc/49/07/74/201490774.db2.gz HGWISILKFVXAJB-UHFFFAOYSA-N 0 0 334.331 3.053 50 0 EGAARN Cc1cc(CNC(=O)c2cc(Br)ccc2Cl)nn1C ZINC000001056118 201497601 /nfs/dbraw/zinc/49/76/01/201497601.db2.gz ZNKLYTSOYZWZHI-UHFFFAOYSA-N 0 0 342.624 3.074 50 0 EGAARN Cc1nnc(SCC(=O)n2c3ccccc3c3c2CCCC3)n1C ZINC000001060279 201497738 /nfs/dbraw/zinc/49/77/38/201497738.db2.gz DVIUVFQTZNYJJD-UHFFFAOYSA-N 0 0 340.452 3.390 50 0 EGAARN C[C@H](NC(=O)c1ccc2ccccc2n1)c1nncn1C1CCCC1 ZINC000219313405 241379115 /nfs/dbraw/zinc/37/91/15/241379115.db2.gz AABYCQWHVZNGBB-ZDUSSCGKSA-N 0 0 335.411 3.432 50 0 EGAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000000466032 201476653 /nfs/dbraw/zinc/47/66/53/201476653.db2.gz HXXDMOUWCQPLBX-MXWKQRLJSA-N 0 0 332.227 3.397 50 0 EGAARN CC(=O)c1sc(NC(=O)c2ccc(Br)o2)nc1C ZINC000000473663 201478445 /nfs/dbraw/zinc/47/84/45/201478445.db2.gz SEDOUZDXUVBHBG-UHFFFAOYSA-N 0 0 329.175 3.262 50 0 EGAARN CC(C)(C)N1C[C@@H](CNC(=O)CCCCc2ccccc2)CC1=O ZINC000219468491 241387660 /nfs/dbraw/zinc/38/76/60/241387660.db2.gz XWKAVCQQPLXUKS-QGZVFWFLSA-N 0 0 330.472 3.163 50 0 EGAARN O=C(NC1CCCC1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000016649794 283924909 /nfs/dbraw/zinc/92/49/09/283924909.db2.gz KFPYILYJCZKKGW-UHFFFAOYSA-N 0 0 339.420 3.095 50 0 EGAARN Cc1ccc2nsnc2c1NC(=O)c1ccc2nsnc2c1 ZINC000002229372 201527580 /nfs/dbraw/zinc/52/75/80/201527580.db2.gz RWBIKSZIHJEWFV-UHFFFAOYSA-N 0 0 327.394 3.257 50 0 EGAARN COc1ccc(Cn2cnc3c4cc(F)ccc4n(C)c3c2=O)cc1 ZINC000002239812 201527591 /nfs/dbraw/zinc/52/75/91/201527591.db2.gz XNAXFTQQKDNMNB-UHFFFAOYSA-N 0 0 337.354 3.084 50 0 EGAARN CCCCC[C@@]1(C(=O)OCC)C[C@](C)(c2csc(N)n2)OC1=O ZINC000002273764 201528291 /nfs/dbraw/zinc/52/82/91/201528291.db2.gz GTZZCEQQNSESGR-CVEARBPZSA-N 0 0 340.445 3.017 50 0 EGAARN CCCCC[C@]1(C(=O)OCC)C[C@](C)(c2csc(N)n2)OC1=O ZINC000002273765 201528435 /nfs/dbraw/zinc/52/84/35/201528435.db2.gz GTZZCEQQNSESGR-HZPDHXFCSA-N 0 0 340.445 3.017 50 0 EGAARN Cc1nn(C)cc1CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000002762881 201544285 /nfs/dbraw/zinc/54/42/85/201544285.db2.gz ZNYAYVWESKPVPF-ZDUSSCGKSA-N 0 0 335.835 3.116 50 0 EGAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1F ZINC000062160420 202794282 /nfs/dbraw/zinc/79/42/82/202794282.db2.gz KWIHKWMBMMTWIF-LLVKDONJSA-N 0 0 344.333 3.442 50 0 EGAARN CCc1cc(=O)oc2c(C)c(OS(=O)(=O)c3ccccc3)ccc12 ZINC000002994505 201553351 /nfs/dbraw/zinc/55/33/51/201553351.db2.gz HFASBBKOMNREPM-UHFFFAOYSA-N 0 0 344.388 3.432 50 0 EGAARN CCN(CC)c1ccc(NC2=NS(=O)(=O)c3ccccc32)c(C)c1 ZINC000002992963 201554254 /nfs/dbraw/zinc/55/42/54/201554254.db2.gz LCFVCVAGNYTAIU-UHFFFAOYSA-N 0 0 343.452 3.402 50 0 EGAARN CCCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)OC)nc21 ZINC000002864494 201549532 /nfs/dbraw/zinc/54/95/32/201549532.db2.gz MSQHGRIEADMWFK-LLVKDONJSA-N 0 0 344.440 3.433 50 0 EGAARN COc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 ZINC000003907833 201584132 /nfs/dbraw/zinc/58/41/32/201584132.db2.gz PVDPWARBRUSZDY-UHFFFAOYSA-N 0 0 338.363 3.289 50 0 EGAARN Cc1nc2ccc(NC(=O)c3ccccc3S(C)(=O)=O)cc2s1 ZINC000004517698 201604991 /nfs/dbraw/zinc/60/49/91/201604991.db2.gz NGDVXBRGOKTDQY-UHFFFAOYSA-N 0 0 346.433 3.261 50 0 EGAARN COc1cccc(/C=C2\SC(=N)NC2=O)c1OCc1ccccc1 ZINC000004181257 201592011 /nfs/dbraw/zinc/59/20/11/201592011.db2.gz JSQBZZIISSMUQQ-GDNBJRDFSA-N 0 0 340.404 3.413 50 0 EGAARN CCOC(=O)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000004189773 201593857 /nfs/dbraw/zinc/59/38/57/201593857.db2.gz YFKJLBDYGMOMQB-KRWDZBQOSA-N 0 0 345.826 3.378 50 0 EGAARN Nc1nnc(SCC(=O)n2c3ccccc3c3c2CCCC3)s1 ZINC000004673330 201610895 /nfs/dbraw/zinc/61/08/95/201610895.db2.gz YEZMAIZHCPDTHL-UHFFFAOYSA-N 0 0 344.465 3.386 50 0 EGAARN CCn1c(C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000004814681 201619989 /nfs/dbraw/zinc/61/99/89/201619989.db2.gz KPHRNJPGVHDNBJ-UHFFFAOYSA-N 0 0 328.800 3.130 50 0 EGAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CC2)cc1 ZINC000004816460 201620582 /nfs/dbraw/zinc/62/05/82/201620582.db2.gz YKWWJSFPMVCVKB-UHFFFAOYSA-N 0 0 333.395 3.311 50 0 EGAARN O=C(NCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccco1 ZINC000004837352 201621309 /nfs/dbraw/zinc/62/13/09/201621309.db2.gz XWELBTVUNHWCIZ-NBVRZTHBSA-N 0 0 346.386 3.367 50 0 EGAARN NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(Cl)cc1 ZINC000004851993 201622201 /nfs/dbraw/zinc/62/22/01/201622201.db2.gz DBXKWELTNQXUPI-UHFFFAOYSA-N 0 0 328.755 3.366 50 0 EGAARN CCCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000005323602 201646855 /nfs/dbraw/zinc/64/68/55/201646855.db2.gz IHLDGGTUOXHYBM-QGZVFWFLSA-N 0 0 333.771 3.150 50 0 EGAARN Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@]4(CCOC4)C3)c2)n1 ZINC000240128287 242966501 /nfs/dbraw/zinc/96/65/01/242966501.db2.gz IPJIICAJKGRRPF-FQEVSTJZSA-N 0 0 339.439 3.132 50 0 EGAARN CCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C ZINC000004937511 201628269 /nfs/dbraw/zinc/62/82/69/201628269.db2.gz BQMAADSSAMXRHU-UHFFFAOYSA-N 0 0 325.455 3.242 50 0 EGAARN CC(C)C(=O)n1nc(-c2cccnc2)nc1NCc1cccs1 ZINC000005002108 201632774 /nfs/dbraw/zinc/63/27/74/201632774.db2.gz VDUYGELMUIWSNH-UHFFFAOYSA-N 0 0 327.413 3.310 50 0 EGAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000005034612 201635031 /nfs/dbraw/zinc/63/50/31/201635031.db2.gz FZRRFZBUBPSJOY-UHFFFAOYSA-N 0 0 334.166 3.221 50 0 EGAARN Cc1cccc2sc(NC(=O)COc3ccc4c(c3)OCO4)nc21 ZINC000005060974 201637200 /nfs/dbraw/zinc/63/72/00/201637200.db2.gz SGVNMWGCLTURHD-UHFFFAOYSA-N 0 0 342.376 3.351 50 0 EGAARN C/C(=C\c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C)C3 ZINC000005274694 201645212 /nfs/dbraw/zinc/64/52/12/201645212.db2.gz QHXMTDKNPIEGGR-JICACKBISA-N 0 0 339.464 3.321 50 0 EGAARN CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)n[nH]c1=S ZINC000005445056 201651325 /nfs/dbraw/zinc/65/13/25/201651325.db2.gz MWLPHNFZEOSVEI-UHFFFAOYSA-N 0 0 331.228 3.197 50 0 EGAARN COc1cncc([C@@H](Nc2nc3cc(C)ccc3o2)[C@H]2C[C@@H](O)C2)c1 ZINC000244701265 243060091 /nfs/dbraw/zinc/06/00/91/243060091.db2.gz KDDPAPZJVJVEOW-WRSAYESZSA-N 0 0 339.395 3.464 50 0 EGAARN O=C(c1cccc(Oc2ccccc2)c1)N1CCC2(CC1)OCCO2 ZINC000006726887 201692641 /nfs/dbraw/zinc/69/26/41/201692641.db2.gz NEHCJRRDQUKOOO-UHFFFAOYSA-N 0 0 339.391 3.458 50 0 EGAARN Cc1cccc(OCC(=O)NCc2nc(-c3cccc(C)c3)no2)c1 ZINC000006730322 201693026 /nfs/dbraw/zinc/69/30/26/201693026.db2.gz ZKTVJXKNIGHGHS-UHFFFAOYSA-N 0 0 337.379 3.049 50 0 EGAARN COc1ccc([C@H](NC(=O)Cc2ccsc2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244652012 243051265 /nfs/dbraw/zinc/05/12/65/243051265.db2.gz GYFPQDRQJBQADI-IYOUNJFTSA-N 0 0 349.427 3.067 50 0 EGAARN CN(Cc1cc(-c2ccccc2)on1)c1cc([C@H]2C[C@@H](O)C2)ncn1 ZINC000244734914 243073944 /nfs/dbraw/zinc/07/39/44/243073944.db2.gz NNWLVAHRHFUSNB-FZNQNYSPSA-N 0 0 336.395 3.006 50 0 EGAARN O[C@H](Cc1ccccc1)C1CCN(Cc2cc(C3CC3)on2)CC1 ZINC000244873553 243090571 /nfs/dbraw/zinc/09/05/71/243090571.db2.gz WRYYYJQJFXODOW-LJQANCHMSA-N 0 0 326.440 3.368 50 0 EGAARN CSc1ccc2c(c1)CCN(Cc1ccc(C(=O)N(C)C)o1)C2 ZINC000244874319 243093649 /nfs/dbraw/zinc/09/36/49/243093649.db2.gz WZJDYBZRMJMSTN-UHFFFAOYSA-N 0 0 330.453 3.262 50 0 EGAARN CCc1nccn1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000065224665 202829765 /nfs/dbraw/zinc/82/97/65/202829765.db2.gz YQWFVHZJDKAGQL-UHFFFAOYSA-N 0 0 333.189 3.306 50 0 EGAARN CC[C@H](NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000065362046 202837195 /nfs/dbraw/zinc/83/71/95/202837195.db2.gz BLCHZQKSPXVFEM-INIZCTEOSA-N 0 0 332.425 3.363 50 0 EGAARN CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@@H]2CCOC(C)(C)C2)c1 ZINC000065403821 202843309 /nfs/dbraw/zinc/84/33/09/202843309.db2.gz ZGEFZMBHRMAFQG-CYBMUJFWSA-N 0 0 338.835 3.328 50 0 EGAARN CN(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1 ZINC000065405928 202844748 /nfs/dbraw/zinc/84/47/48/202844748.db2.gz YNKSZZQNCDNPRO-KRWDZBQOSA-N 0 0 332.407 3.412 50 0 EGAARN COc1ccc2[nH]c(CNC(=O)CCc3scnc3C)cc2c1 ZINC000065410733 202846298 /nfs/dbraw/zinc/84/62/98/202846298.db2.gz BBFZIYYAPVJIPJ-UHFFFAOYSA-N 0 0 329.425 3.190 50 0 EGAARN Cc1nn(C(C)(C)C)c(C)c1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 ZINC000065417451 202846580 /nfs/dbraw/zinc/84/65/80/202846580.db2.gz FTNKTHMHXLBDAN-ZDUSSCGKSA-N 0 0 341.411 3.458 50 0 EGAARN C[C@@H](NCc1nc(-c2ccco2)no1)c1ccccc1-n1cccn1 ZINC000065461228 202852319 /nfs/dbraw/zinc/85/23/19/202852319.db2.gz QTVKNENCGPFWBO-CYBMUJFWSA-N 0 0 335.367 3.366 50 0 EGAARN CCn1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000065496590 202853817 /nfs/dbraw/zinc/85/38/17/202853817.db2.gz FKWNRXXKWQKHNL-AZUAARDMSA-N 0 0 349.434 3.047 50 0 EGAARN OCC1(C[C@H]2CCCCO2)CCN(c2cnc3ccccc3n2)CC1 ZINC000067920258 202946954 /nfs/dbraw/zinc/94/69/54/202946954.db2.gz KDWSAWCIYCOLHP-MRXNPFEDSA-N 0 0 341.455 3.168 50 0 EGAARN CC(C)C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)CC[C@@]1(C)O ZINC000067847297 202940357 /nfs/dbraw/zinc/94/03/57/202940357.db2.gz NJXGTHVBAXFTIM-OXJNMPFZSA-N 0 0 341.455 3.132 50 0 EGAARN Cc1nc(CC(=O)NCc2cc(-c3cccc(F)c3)no2)c(C)s1 ZINC000067674969 202924177 /nfs/dbraw/zinc/92/41/77/202924177.db2.gz GXYGXMSBQAOJGI-UHFFFAOYSA-N 0 0 345.399 3.413 50 0 EGAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000067921685 202947348 /nfs/dbraw/zinc/94/73/48/202947348.db2.gz MIBIZXKSBMBBGC-CABCVRRESA-N 0 0 345.830 3.156 50 0 EGAARN COc1ccccc1CC1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000069739095 203043389 /nfs/dbraw/zinc/04/33/89/203043389.db2.gz RYCILQOMERQCRD-UHFFFAOYSA-N 0 0 340.471 3.156 50 0 EGAARN Cc1noc(C)c1CCC(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 ZINC000252537480 243853323 /nfs/dbraw/zinc/85/33/23/243853323.db2.gz LIOZCZKRCHPARG-WKILWMFISA-N 0 0 343.427 3.125 50 0 EGAARN O=C(Nc1cccc2ncccc21)c1ccc(OC2CCOCC2)nc1 ZINC000252537723 243853672 /nfs/dbraw/zinc/85/36/72/243853672.db2.gz MDIMWSARRNTGBP-UHFFFAOYSA-N 0 0 349.390 3.440 50 0 EGAARN Cc1noc(C)c1Cc1nn2c(nnc2-c2ccc(F)cc2)s1 ZINC000071282824 203089681 /nfs/dbraw/zinc/08/96/81/203089681.db2.gz IYZGRBFADVUWQY-UHFFFAOYSA-N 0 0 329.360 3.188 50 0 EGAARN Cc1n[nH]cc1-c1nn2c(Cc3ccccc3Cl)nnc2s1 ZINC000071286742 203090869 /nfs/dbraw/zinc/09/08/69/203090869.db2.gz JULHBHYABNGJBB-UHFFFAOYSA-N 0 0 330.804 3.129 50 0 EGAARN COc1ccccc1-c1ccc(N2CC[C@@](O)(c3ccccc3)C2)nn1 ZINC000071419084 203094652 /nfs/dbraw/zinc/09/46/52/203094652.db2.gz IKABRICQODQKAK-NRFANRHFSA-N 0 0 347.418 3.250 50 0 EGAARN CC[C@@H]1CN(c2ccc(Cl)nn2)CCC(=O)N1Cc1ccccc1 ZINC000071774809 203111914 /nfs/dbraw/zinc/11/19/14/203111914.db2.gz FOVCCTURVLXQKU-OAHLLOKOSA-N 0 0 344.846 3.148 50 0 EGAARN O=C1C[C@H](Nc2nccc(C3CCCC3)n2)CN1Cc1ccccc1 ZINC000071777141 203112687 /nfs/dbraw/zinc/11/26/87/203112687.db2.gz FBLDVJGUGWHXAG-KRWDZBQOSA-N 0 0 336.439 3.347 50 0 EGAARN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc3ncccn3n2)c1C ZINC000071661667 203102774 /nfs/dbraw/zinc/10/27/74/203102774.db2.gz JXTKDFTXHNVLRM-UHFFFAOYSA-N 0 0 333.395 3.066 50 0 EGAARN CC(C)C[C@]1(CO)CCCN(C(=O)c2cccc3cnccc32)C1 ZINC000071746582 203104502 /nfs/dbraw/zinc/10/45/02/203104502.db2.gz IGRDWBRFZJESNK-HXUWFJFHSA-N 0 0 326.440 3.496 50 0 EGAARN Cc1nc[nH]c1C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000071746440 203104870 /nfs/dbraw/zinc/10/48/70/203104870.db2.gz MWPRZCUDOIHTSL-INIZCTEOSA-N 0 0 326.787 3.286 50 0 EGAARN Cc1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 ZINC000071750134 203106297 /nfs/dbraw/zinc/10/62/97/203106297.db2.gz RLXRTQPSIOSZMB-MRXNPFEDSA-N 0 0 342.414 3.307 50 0 EGAARN COc1ccc(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)c(C)c1C ZINC000071749247 203106908 /nfs/dbraw/zinc/10/69/08/203106908.db2.gz YIUYOLIRFKKQMY-HNNXBMFYSA-N 0 0 330.428 3.232 50 0 EGAARN CCc1[nH]c2ccc(CNC(=O)c3cc4ncccn4n3)cc2c1C ZINC000071752534 203107658 /nfs/dbraw/zinc/10/76/58/203107658.db2.gz MPMLASNWMMXNCY-UHFFFAOYSA-N 0 0 333.395 3.011 50 0 EGAARN O=C1CCCN1CCCn1ccnc1-c1cc(-c2ccccc2)no1 ZINC000071759405 203109007 /nfs/dbraw/zinc/10/90/07/203109007.db2.gz OWSRDGGMZCJYIY-UHFFFAOYSA-N 0 0 336.395 3.218 50 0 EGAARN C[C@@H](Cc1cccnc1)Nc1nc(C2CCCC2)nc2c1cnn2C ZINC000072120731 203163845 /nfs/dbraw/zinc/16/38/45/203163845.db2.gz VXXVKYVBUUSHRE-ZDUSSCGKSA-N 0 0 336.443 3.459 50 0 EGAARN CN(Cc1nc(-c2cccnc2)no1)Cc1ccc(O)c(Cl)c1 ZINC000072147888 203170908 /nfs/dbraw/zinc/17/09/08/203170908.db2.gz NXXCOXHNKICQNZ-UHFFFAOYSA-N 0 0 330.775 3.123 50 0 EGAARN Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1 ZINC000072135464 203166091 /nfs/dbraw/zinc/16/60/91/203166091.db2.gz CJGWLQYSRZHMTA-GOSISDBHSA-N 0 0 343.471 3.072 50 0 EGAARN CC(C)CN1CCN(Cc2cc(C3CCCCC3)no2)[C@@H](C)C1=O ZINC000072130598 203166237 /nfs/dbraw/zinc/16/62/37/203166237.db2.gz LAFSDTYDAMJOHU-HNNXBMFYSA-N 0 0 333.476 3.411 50 0 EGAARN CN(CCCc1nccn1C)c1cc(-c2ccccc2)nc2ccnn21 ZINC000072130731 203166281 /nfs/dbraw/zinc/16/62/81/203166281.db2.gz FBWPSVNSDJAWRE-UHFFFAOYSA-N 0 0 346.438 3.199 50 0 EGAARN c1cncc(CN2CCCN(Cc3nc4c(s3)CCCC4)CC2)c1 ZINC000072142044 203168549 /nfs/dbraw/zinc/16/85/49/203168549.db2.gz LGKWMHOTXZYEEX-UHFFFAOYSA-N 0 0 342.512 3.125 50 0 EGAARN CCn1nc(C)c([C@@H](C)Nc2nc(C(C)C)nc3c2cnn3C)c1C ZINC000072161313 203175987 /nfs/dbraw/zinc/17/59/87/203175987.db2.gz KENMXLNCJNEAAB-LLVKDONJSA-N 0 0 341.463 3.493 50 0 EGAARN Cc1ccn(CCn2ccnc2-c2nn(C)c3cccc(Cl)c32)n1 ZINC000072159358 203176758 /nfs/dbraw/zinc/17/67/58/203176758.db2.gz YWMNSPIIQTYDGG-UHFFFAOYSA-N 0 0 340.818 3.295 50 0 EGAARN O=C(OCc1ccccc1)N1CCc2c(Cl)nc(Cl)nc2C1 ZINC000072187456 203183481 /nfs/dbraw/zinc/18/34/81/203183481.db2.gz XLMNHZAOTDBGMV-UHFFFAOYSA-N 0 0 338.194 3.478 50 0 EGAARN COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(C)s2)c1 ZINC000072333997 203202031 /nfs/dbraw/zinc/20/20/31/203202031.db2.gz PUNLXGGSIPKNBY-GFCCVEGCSA-N 0 0 333.409 3.099 50 0 EGAARN Cc1cc(-c2nn3c(CSc4ccccc4)nnc3s2)no1 ZINC000072333596 203202548 /nfs/dbraw/zinc/20/25/48/203202548.db2.gz IHMBAAHXXPEEBA-UHFFFAOYSA-N 0 0 329.410 3.442 50 0 EGAARN CCN(Cc1ccccn1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072447718 203225789 /nfs/dbraw/zinc/22/57/89/203225789.db2.gz HZBKZWJFHXNBNO-UHFFFAOYSA-N 0 0 326.440 3.447 50 0 EGAARN COc1ccccc1[C@H](C)NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000072441741 203225981 /nfs/dbraw/zinc/22/59/81/203225981.db2.gz DRQGZUNOYYNPFF-HNNXBMFYSA-N 0 0 335.407 3.431 50 0 EGAARN O=C(Nc1cccc2[nH]ccc21)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000072401555 203214786 /nfs/dbraw/zinc/21/47/86/203214786.db2.gz JYVLUAYNPOKZMH-HNNXBMFYSA-N 0 0 333.391 3.155 50 0 EGAARN O=C(Nc1ccccc1)c1cnn2c1nccc2-c1cc(O)ccc1O ZINC000072404779 203214831 /nfs/dbraw/zinc/21/48/31/203214831.db2.gz XRQLUFMYOFMQKO-UHFFFAOYSA-N 0 0 346.346 3.060 50 0 EGAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1O ZINC000072405641 203215513 /nfs/dbraw/zinc/21/55/13/203215513.db2.gz PVXCTDHENADUOJ-CYBMUJFWSA-N 0 0 339.351 3.362 50 0 EGAARN c1cn(CCn2cnnc2)c(-c2ccccc2OCc2ccccc2)n1 ZINC000072427920 203221975 /nfs/dbraw/zinc/22/19/75/203221975.db2.gz VROLLPAGVPCHNM-UHFFFAOYSA-N 0 0 345.406 3.421 50 0 EGAARN CN(Cc1cccc(O)c1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072430463 203222745 /nfs/dbraw/zinc/22/27/45/203222745.db2.gz OJDLBSLDUWNPNW-UHFFFAOYSA-N 0 0 327.424 3.368 50 0 EGAARN CCn1nc(C)c(CNc2cc(-c3ccncc3)nc3ccnn32)c1C ZINC000072430963 203223208 /nfs/dbraw/zinc/22/32/08/203223208.db2.gz DGSURXKHVJPUTC-UHFFFAOYSA-N 0 0 347.426 3.237 50 0 EGAARN CC(C)[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nccn1C ZINC000072436189 203223976 /nfs/dbraw/zinc/22/39/76/203223976.db2.gz KEXCMVGKMXJXKZ-QGZVFWFLSA-N 0 0 343.471 3.251 50 0 EGAARN CC(C)CCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCO1 ZINC000015073466 203275163 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Cc1nccc(O[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)n1 ZINC000575609823 459982288 /nfs/dbraw/zinc/98/22/88/459982288.db2.gz QLDVTYZLCCRNIR-ZDUSSCGKSA-N 0 0 331.803 3.122 50 0 EGAARN C[C@@H](NC(=O)C(=O)NCc1ccc(-c2ccco2)o1)c1ccccc1 ZINC000575611494 459982695 /nfs/dbraw/zinc/98/26/95/459982695.db2.gz VQTMJLWUQOPAKU-CYBMUJFWSA-N 0 0 338.363 3.033 50 0 EGAARN O=C(CCc1ccccc1)NC[C@@H](c1ccsc1)n1cccn1 ZINC000575614548 459983508 /nfs/dbraw/zinc/98/35/08/459983508.db2.gz WJTBYJRQQRUZLU-KRWDZBQOSA-N 0 0 325.437 3.283 50 0 EGAARN COc1ccc(C(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1F ZINC000575614010 459983616 /nfs/dbraw/zinc/98/36/16/459983616.db2.gz NYWNPIMYJGUNNL-HNNXBMFYSA-N 0 0 345.399 3.112 50 0 EGAARN O=C(c1nc2ccccc2s1)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575613084 459984074 /nfs/dbraw/zinc/98/40/74/459984074.db2.gz OPZBRODVCADKGL-AWEZNQCLSA-N 0 0 339.420 3.375 50 0 EGAARN O=C(Nc1ccccc1Cl)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575613773 459984130 /nfs/dbraw/zinc/98/41/30/459984130.db2.gz TXCDVXPFZUKQEV-LBPRGKRZSA-N 0 0 332.791 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Cc1cnc2c(C(=O)Nc3nc4c(s3)CCCCCC4)cnn2c1 ZINC000895856317 1309564429 /nfs/dbraw/zinc/56/44/29/1309564429.db2.gz UVWQIKAFZCKLQO-UHFFFAOYSA-N 0 0 341.440 3.406 50 0 EGAARN C[C@@H]1Cc2cc(NC(=O)c3csc(-c4ncccn4)n3)ccc2O1 ZINC000822512787 1320092689 /nfs/dbraw/zinc/09/26/89/1320092689.db2.gz GYJBQRZMGQOSGM-SNVBAGLBSA-N 0 0 338.392 3.176 50 0 EGAARN CCCn1c(=O)c2cc(F)ccc2nc1SCc1nc(CC)no1 ZINC000823026504 1320147999 /nfs/dbraw/zinc/14/79/99/1320147999.db2.gz XPAFNXLDXOXNAZ-UHFFFAOYSA-N 0 0 348.403 3.183 50 0 EGAARN CCc1cccc(NC(=O)CCC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000952869746 1334583944 /nfs/dbraw/zinc/58/39/44/1334583944.db2.gz NXDFAJCJXBEFNR-CALCHBBNSA-N 0 0 326.440 3.392 50 0 EGAARN Cn1cc(Cl)c(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)n1 ZINC000952973552 1334627399 /nfs/dbraw/zinc/62/73/99/1334627399.db2.gz AMHINUXPDITSNF-AWEZNQCLSA-N 0 0 349.818 3.274 50 0 EGAARN Cc1ccc(SCc2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)o2)cc1 ZINC000952972245 1334627792 /nfs/dbraw/zinc/62/77/92/1334627792.db2.gz 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ZINC000004104562 452793412 /nfs/dbraw/zinc/79/34/12/452793412.db2.gz PFCWRFDCCWJESX-HNNXBMFYSA-N 0 0 338.285 3.089 50 0 EGAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2O)cc1 ZINC000004169910 452794734 /nfs/dbraw/zinc/79/47/34/452794734.db2.gz ASZFJTHWFNKDEE-UHFFFAOYSA-N 0 0 349.795 3.435 50 0 EGAARN CC[C@@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@@]1(C)O ZINC000004168492 452795351 /nfs/dbraw/zinc/79/53/51/452795351.db2.gz WVNDFXKAUYRFCB-JIVOQWMMSA-N 0 0 337.460 3.301 50 0 EGAARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000004148194 452795437 /nfs/dbraw/zinc/79/54/37/452795437.db2.gz NXACOVSVYXRFNG-MRXNPFEDSA-N 0 0 326.400 3.219 50 0 EGAARN CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1C ZINC000004138475 452795443 /nfs/dbraw/zinc/79/54/43/452795443.db2.gz BANXFCBZPNYXIH-CQSZACIVSA-N 0 0 344.440 3.397 50 0 EGAARN CC[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C)C(=O)OC ZINC000004138478 452795850 /nfs/dbraw/zinc/79/58/50/452795850.db2.gz BSFDGLQNADUGKU-CYBMUJFWSA-N 0 0 330.413 3.007 50 0 EGAARN CC(C)COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004188345 452796808 /nfs/dbraw/zinc/79/68/08/452796808.db2.gz GOORFLXAZADGOX-RMHZUWNSSA-N 0 0 341.407 3.035 50 0 EGAARN O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccn2)CC1 ZINC000004271658 452798071 /nfs/dbraw/zinc/79/80/71/452798071.db2.gz LWJCPHYISVLVAT-UHFFFAOYSA-N 0 0 336.222 3.351 50 0 EGAARN Cc1ccc2cc(CCNC(=O)Cc3cccs3)c(=O)[nH]c2c1C ZINC000004225198 452798118 /nfs/dbraw/zinc/79/81/18/452798118.db2.gz PYFKGBUOBDBSAA-UHFFFAOYSA-N 0 0 340.448 3.108 50 0 EGAARN CCCNC(=O)c1ccccc1NC(=O)[C@@H](OC)c1ccccc1 ZINC000004419124 452802348 /nfs/dbraw/zinc/80/23/48/452802348.db2.gz MQPIDQUNUZLSOL-KRWDZBQOSA-N 0 0 326.396 3.153 50 0 EGAARN O=C1C(=Cc2ccccc2)NC(=S)N1CNc1cccc(Cl)c1 ZINC000004411848 452802991 /nfs/dbraw/zinc/80/29/91/452802991.db2.gz MSLBCJXPVLDIPU-OQLLNIDSSA-N 0 0 343.839 3.467 50 0 EGAARN COc1cc2c(c(OC)c1)[C@@H](c1cccc(OC)c1OC)CC(=O)N2 ZINC000004488836 452803609 /nfs/dbraw/zinc/80/36/09/452803609.db2.gz 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/nfs/dbraw/zinc/80/70/69/452807069.db2.gz BHMAQAGJYILUFJ-UHFFFAOYSA-N 0 0 341.392 3.476 50 0 EGAARN CCOc1ccc(NC(=O)CSc2nc(SC)ns2)cc1 ZINC000004502707 452807080 /nfs/dbraw/zinc/80/70/80/452807080.db2.gz HHCPIVPHEKUERH-UHFFFAOYSA-N 0 0 341.483 3.390 50 0 EGAARN O=C1C[C@@H](c2ccc(F)cc2)c2c(=O)nc3[nH]c4ccccc4n3c2N1 ZINC000004624407 452810677 /nfs/dbraw/zinc/81/06/77/452810677.db2.gz VCZCASMDNVYNHX-LBPRGKRZSA-N 0 0 348.337 3.201 50 0 EGAARN COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(O)cc2)cc1 ZINC000004653767 452811157 /nfs/dbraw/zinc/81/11/57/452811157.db2.gz DDKGQXZLARIUDF-ZDUSSCGKSA-N 0 0 327.380 3.241 50 0 EGAARN CSc1ccccc1-c1nnc(NC(=O)COc2ccccc2)o1 ZINC000004585582 452811296 /nfs/dbraw/zinc/81/12/96/452811296.db2.gz DUMKILDQFZQSDT-UHFFFAOYSA-N 0 0 341.392 3.476 50 0 EGAARN COC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O ZINC000004694678 452812848 /nfs/dbraw/zinc/81/28/48/452812848.db2.gz NCJQVFOWARANPW-BJMVGYQFSA-N 0 0 346.191 3.203 50 0 EGAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccc1 ZINC000004685969 452813155 /nfs/dbraw/zinc/81/31/55/452813155.db2.gz BFIZANKURBNVRD-VLIAUNLRSA-N 0 0 349.434 3.093 50 0 EGAARN CC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 ZINC000004680152 452813426 /nfs/dbraw/zinc/81/34/26/452813426.db2.gz LWCCWARMTGJYQK-UHFFFAOYSA-N 0 0 339.395 3.492 50 0 EGAARN CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 ZINC000004731668 452814382 /nfs/dbraw/zinc/81/43/82/452814382.db2.gz WQZYDMKGAPQQEM-UHFFFAOYSA-N 0 0 340.423 3.406 50 0 biogenic EGAARN Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000004731849 452814800 /nfs/dbraw/zinc/81/48/00/452814800.db2.gz VKNONBQOYHKVCX-SNVBAGLBSA-N 0 0 335.816 3.097 50 0 EGAARN CSc1cccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@H]2C)c1 ZINC000004783573 452816906 /nfs/dbraw/zinc/81/69/06/452816906.db2.gz JTYOWKQXACXPGU-WFASDCNBSA-N 0 0 335.473 3.367 50 0 EGAARN Cc1c(O)ccc2c(C)c(CCC(=O)N3CCCCC3)c(=O)oc12 ZINC000004743339 452817050 /nfs/dbraw/zinc/81/70/50/452817050.db2.gz 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/nfs/dbraw/zinc/82/31/47/452823147.db2.gz DGQVXOVHHWHRCP-UHFFFAOYSA-N 0 0 331.369 3.179 50 0 EGAARN CN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1 ZINC000004865984 452823619 /nfs/dbraw/zinc/82/36/19/452823619.db2.gz NJDSGWGEQIVRAF-UHFFFAOYSA-N 0 0 343.858 3.273 50 0 EGAARN CC(C)c1nn2c(ncc(NC(=O)c3ccc(Cl)cc3)c2=O)s1 ZINC000004936961 452825527 /nfs/dbraw/zinc/82/55/27/452825527.db2.gz IFSFAGCWUXJCTF-UHFFFAOYSA-N 0 0 348.815 3.180 50 0 EGAARN C[C@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000004942778 452826945 /nfs/dbraw/zinc/82/69/45/452826945.db2.gz KTQHNNQVZQPGHA-GXTWGEPZSA-N 0 0 346.814 3.183 50 0 EGAARN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccco2)CC1 ZINC000004976345 452830252 /nfs/dbraw/zinc/83/02/52/452830252.db2.gz VYPJFYZTSOLBPA-UHFFFAOYSA-N 0 0 346.814 3.102 50 0 EGAARN CC(=O)c1cccc(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000005029732 452832226 /nfs/dbraw/zinc/83/22/26/452832226.db2.gz YXQVVZHUPUHMRN-QGZVFWFLSA-N 0 0 326.327 3.160 50 0 EGAARN CCOc1ccccc1OCc1nn2c(nnc2C(C)(C)C)s1 ZINC000005015496 452832554 /nfs/dbraw/zinc/83/25/54/452832554.db2.gz INAKOZNHWVMAJL-UHFFFAOYSA-N 0 0 332.429 3.461 50 0 EGAARN COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)c1 ZINC000005052424 452834222 /nfs/dbraw/zinc/83/42/22/452834222.db2.gz DRXVEFUSJLJWCS-UHFFFAOYSA-N 0 0 336.391 3.398 50 0 EGAARN CCC[C@H](C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 ZINC000005060971 452834390 /nfs/dbraw/zinc/83/43/90/452834390.db2.gz ACODCVRIEXBOAV-JTQLQIEISA-N 0 0 349.412 3.188 50 0 EGAARN Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](N)CC(C)C)o1 ZINC000005119563 452837311 /nfs/dbraw/zinc/83/73/11/452837311.db2.gz VIVFSBLQIGCNKJ-ZDUSSCGKSA-N 0 0 348.472 3.463 50 0 EGAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(N(C)C)cc1 ZINC000005145516 452839435 /nfs/dbraw/zinc/83/94/35/452839435.db2.gz YFCLWLFFMMTMAC-UHFFFAOYSA-N 0 0 332.425 3.470 50 0 EGAARN Cc1ccccc1NC(=O)CC1SC(=N)N(c2ccccc2)C1=O ZINC000005180569 452842639 /nfs/dbraw/zinc/84/26/39/452842639.db2.gz RFZOWCZASVRUGJ-HNNXBMFYSA-N 0 0 339.420 3.407 50 0 EGAARN Cc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 ZINC000005194841 452846962 /nfs/dbraw/zinc/84/69/62/452846962.db2.gz ZLZWJZGANZTUTK-OAHLLOKOSA-N 0 0 327.359 3.061 50 0 EGAARN Cc1cc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)no1 ZINC000005269949 452852679 /nfs/dbraw/zinc/85/26/79/452852679.db2.gz FECFDDFBZPYXSP-UHFFFAOYSA-N 0 0 343.770 3.099 50 0 EGAARN COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1F)CC3 ZINC000005272317 452854929 /nfs/dbraw/zinc/85/49/29/452854929.db2.gz UVWIIBQYBFRKLK-UHFFFAOYSA-N 0 0 337.354 3.090 50 0 EGAARN CCCCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 ZINC000005417664 452871388 /nfs/dbraw/zinc/87/13/88/452871388.db2.gz BXQYAVKSNQFURN-UHFFFAOYSA-N 0 0 335.429 3.275 50 0 EGAARN CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000005451068 452873253 /nfs/dbraw/zinc/87/32/53/452873253.db2.gz PNNODXHEPQGAJL-ZDUSSCGKSA-N 0 0 337.217 3.075 50 0 EGAARN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000005451069 452873798 /nfs/dbraw/zinc/87/37/98/452873798.db2.gz PNNODXHEPQGAJL-CYBMUJFWSA-N 0 0 337.217 3.075 50 0 EGAARN CCCn1nc(NC(=O)[C@H]2CCCO2)c2cc3cc(C)ccc3nc21 ZINC000005477681 452876634 /nfs/dbraw/zinc/87/66/34/452876634.db2.gz XPAMBURLIBSXDP-MRXNPFEDSA-N 0 0 338.411 3.420 50 0 EGAARN Cc1cccc(N(C(=O)Nc2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000005548048 452882776 /nfs/dbraw/zinc/88/27/76/452882776.db2.gz RJJJQVAHIODAMQ-KRWDZBQOSA-N 0 0 342.420 3.344 50 0 EGAARN CC(=O)O[C@H](C(=O)N[C@H](C)CCc1ccccc1)c1ccccc1 ZINC000005674460 452894086 /nfs/dbraw/zinc/89/40/86/452894086.db2.gz FSHUNTGHTCJAFQ-BEFAXECRSA-N 0 0 325.408 3.428 50 0 EGAARN CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OC)cc1 ZINC000005686569 452896286 /nfs/dbraw/zinc/89/62/86/452896286.db2.gz XYMADIDIUUJTAM-MEBBXXQBSA-N 0 0 347.440 3.343 50 0 EGAARN COc1ccc(-c2cc(CS(=O)(=O)c3ccccc3)on2)cc1 ZINC000005720615 452897075 /nfs/dbraw/zinc/89/70/75/452897075.db2.gz BHOBHEHYQRSRNT-UHFFFAOYSA-N 0 0 329.377 3.324 50 0 EGAARN O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccncc1 ZINC000005757149 452899067 /nfs/dbraw/zinc/89/90/67/452899067.db2.gz LWAPACCQEPQYJP-UHFFFAOYSA-N 0 0 326.783 3.241 50 0 EGAARN Cc1cc(C(=O)Nc2ccc(I)cc2)co1 ZINC000005960744 452913587 /nfs/dbraw/zinc/91/35/87/452913587.db2.gz VNUURENUBTWZRB-UHFFFAOYSA-N 0 0 327.121 3.445 50 0 EGAARN Cc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4CN3C2=O)cc1 ZINC000006212551 452925263 /nfs/dbraw/zinc/92/52/63/452925263.db2.gz GJLHONZQXTWCOZ-SFHVURJKSA-N 0 0 331.375 3.370 50 0 biogenic EGAARN CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006244050 452927217 /nfs/dbraw/zinc/92/72/17/452927217.db2.gz GKMBMTMJOABFSG-UHFFFAOYSA-N 0 0 346.452 3.326 50 0 EGAARN COc1ccc2cc(CCNC(=O)CC3CCCCC3)c(=O)[nH]c2c1 ZINC000006309014 452932704 /nfs/dbraw/zinc/93/27/04/452932704.db2.gz QZJFHXCALVQZIZ-UHFFFAOYSA-N 0 0 342.439 3.166 50 0 EGAARN CCN(Cc1nonc1C)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000006400987 452940735 /nfs/dbraw/zinc/94/07/35/452940735.db2.gz LOFAHBKYZZEHJW-LBPRGKRZSA-N 0 0 346.431 3.179 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1F ZINC000006538049 452950583 /nfs/dbraw/zinc/95/05/83/452950583.db2.gz IWEKBJXIPNCZJT-UHFFFAOYSA-N 0 0 335.306 3.077 50 0 EGAARN CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 ZINC000006539695 452952863 /nfs/dbraw/zinc/95/28/63/452952863.db2.gz GJFZERMJHTZDLU-UHFFFAOYSA-N 0 0 335.306 3.159 50 0 EGAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000006554346 452954662 /nfs/dbraw/zinc/95/46/62/452954662.db2.gz DHZZMIICUCAUQN-OAHLLOKOSA-N 0 0 347.440 3.343 50 0 EGAARN Cc1c(C)n(-c2ccccn2)c2ncn3nc(-c4cccnc4)nc3c12 ZINC000006672179 452967858 /nfs/dbraw/zinc/96/78/58/452967858.db2.gz UCWOUMKPSDCLBK-UHFFFAOYSA-N 0 0 341.378 3.142 50 0 EGAARN COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000006697515 452968734 /nfs/dbraw/zinc/96/87/34/452968734.db2.gz USCYWCGDJWJWJT-UHFFFAOYSA-N 0 0 325.817 3.169 50 0 EGAARN CCCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006715771 452975891 /nfs/dbraw/zinc/97/58/91/452975891.db2.gz BQOCIKHDGVRSHI-UHFFFAOYSA-N 0 0 344.480 3.150 50 0 EGAARN COc1ccccc1Cc1nnc(NC(=O)c2cccs2)s1 ZINC000006729091 452977855 /nfs/dbraw/zinc/97/78/55/452977855.db2.gz NCSYAHBRJFHBOW-UHFFFAOYSA-N 0 0 331.422 3.451 50 0 EGAARN C[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1cccs1 ZINC000006755928 452984365 /nfs/dbraw/zinc/98/43/65/452984365.db2.gz UECSCRGYFFDYLM-VIFPVBQESA-N 0 0 333.344 3.343 50 0 EGAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccccc1C)CC(=O)N2 ZINC000006767916 452986871 /nfs/dbraw/zinc/98/68/71/452986871.db2.gz NEVVWNQPZYUWRD-INIZCTEOSA-N 0 0 347.422 3.370 50 0 EGAARN COc1ccc(NC(=O)c2nc(SC)ncc2Cl)c(OC)c1 ZINC000006810421 452991189 /nfs/dbraw/zinc/99/11/89/452991189.db2.gz ZBLJFNZXHFJCRU-UHFFFAOYSA-N 0 0 339.804 3.121 50 0 EGAARN O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)c1ccccc1 ZINC000006858737 452998140 /nfs/dbraw/zinc/99/81/40/452998140.db2.gz VSHKJLKLROLDHU-UHFFFAOYSA-N 0 0 347.403 3.161 50 0 EGAARN COc1cccc(-c2cc(C(=O)NCc3ccccc3OC)[nH]n2)c1 ZINC000006942858 453010297 /nfs/dbraw/zinc/01/02/97/453010297.db2.gz VNGVHJODROKSSM-UHFFFAOYSA-N 0 0 337.379 3.024 50 0 biogenic EGAARN Cc1ccccc1N1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000007185225 453040916 /nfs/dbraw/zinc/04/09/16/453040916.db2.gz QAZHCKHUEXORQE-UHFFFAOYSA-N 0 0 344.842 3.376 50 0 EGAARN Cc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000007378180 453066686 /nfs/dbraw/zinc/06/66/86/453066686.db2.gz YAFCVXYBNKPULA-UHFFFAOYSA-N 0 0 340.242 3.236 50 0 EGAARN CCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 ZINC000007614984 453094172 /nfs/dbraw/zinc/09/41/72/453094172.db2.gz MNYZHNAZYJDOMN-UHFFFAOYSA-N 0 0 332.425 3.044 50 0 EGAARN Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccccn4)no3)CC2=O)c1 ZINC000007615833 453094496 /nfs/dbraw/zinc/09/44/96/453094496.db2.gz LODVIGMYDOQCDI-AWEZNQCLSA-N 0 0 334.379 3.269 50 0 EGAARN Cc1nn(C(=O)CCC(=O)n2nc(C)c(Cl)c2C)c(C)c1Cl ZINC000008023263 453152927 /nfs/dbraw/zinc/15/29/27/453152927.db2.gz APJZBVUDQZXQFW-UHFFFAOYSA-N 0 0 343.214 3.381 50 0 EGAARN CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246461 453180682 /nfs/dbraw/zinc/18/06/82/453180682.db2.gz WTCDDZWFXYODDM-UHFFFAOYSA-N 0 0 326.396 3.333 50 0 EGAARN O=C(/C=C/c1ccccc1)NCCCNC(=O)c1cc2ccccc2[nH]1 ZINC000008404476 453201266 /nfs/dbraw/zinc/20/12/66/453201266.db2.gz ASMRVRKTQCTHLB-VAWYXSNFSA-N 0 0 347.418 3.117 50 0 EGAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(C)C3=O)c1 ZINC000008845774 453235701 /nfs/dbraw/zinc/23/57/01/453235701.db2.gz NTVUUXGUQMBWTF-GOSISDBHSA-N 0 0 337.354 3.405 50 0 EGAARN Cc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 ZINC000008908665 453237425 /nfs/dbraw/zinc/23/74/25/453237425.db2.gz YGBHEYPYZORVON-UHFFFAOYSA-N 0 0 344.421 3.413 50 0 EGAARN O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000008983526 453239467 /nfs/dbraw/zinc/23/94/67/453239467.db2.gz BTLQLUQITCXHKD-LBPRGKRZSA-N 0 0 346.789 3.262 50 0 EGAARN CC(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc2C1 ZINC000009034754 453240310 /nfs/dbraw/zinc/24/03/10/453240310.db2.gz BIMLXGSRXSUGGH-UHFFFAOYSA-N 0 0 330.334 3.122 50 0 EGAARN CCOc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(OCC)cc1C ZINC000009061982 453241513 /nfs/dbraw/zinc/24/15/13/453241513.db2.gz OIKKXLVUKISIET-CQSZACIVSA-N 0 0 341.473 3.356 50 0 EGAARN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000009197508 453245747 /nfs/dbraw/zinc/24/57/47/453245747.db2.gz RRQNHZUWAJJFBF-HNNXBMFYSA-N 0 0 338.407 3.304 50 0 EGAARN COc1ccccc1NC(=O)[C@@]1(C)Cc2cc(Cl)ccc2C(=O)O1 ZINC000009187394 453246139 /nfs/dbraw/zinc/24/61/39/453246139.db2.gz JJSYAULIERILPP-GOSISDBHSA-N 0 0 345.782 3.459 50 0 EGAARN O=C(Cc1cccc2ccccc21)Nc1ccc2c(c1)C(=O)NCCO2 ZINC000009172007 453246891 /nfs/dbraw/zinc/24/68/91/453246891.db2.gz HDGKQWFXRZJRHN-UHFFFAOYSA-N 0 0 346.386 3.143 50 0 EGAARN CCCn1nc(NC(=O)CCOC)c2cc3cc(C)ccc3nc21 ZINC000009316635 453248852 /nfs/dbraw/zinc/24/88/52/453248852.db2.gz RJSZTZVGQVBTQU-UHFFFAOYSA-N 0 0 326.400 3.278 50 0 EGAARN COc1ccc(CNC(=O)c2ncc(-c3ccc(OC)cc3)o2)cc1 ZINC000009321559 453249129 /nfs/dbraw/zinc/24/91/29/453249129.db2.gz QXVOWHQGXGAJIS-UHFFFAOYSA-N 0 0 338.363 3.289 50 0 EGAARN Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)s1 ZINC000009236739 453249213 /nfs/dbraw/zinc/24/92/13/453249213.db2.gz AZQOOQBFTWIPGF-SNVBAGLBSA-N 0 0 335.816 3.097 50 0 EGAARN O=C1C[C@@H](c2nc(-c3cccnc3)no2)CN1c1ccc(Cl)cc1 ZINC000009318050 453249376 /nfs/dbraw/zinc/24/93/76/453249376.db2.gz ZCGPEFKBJWAHIG-GFCCVEGCSA-N 0 0 340.770 3.306 50 0 EGAARN CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(Cl)c1 ZINC000009320526 453249784 /nfs/dbraw/zinc/24/97/84/453249784.db2.gz PPVQTQLBYDOFCU-JTQLQIEISA-N 0 0 335.816 3.279 50 0 EGAARN CCCSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 ZINC000009347973 453251644 /nfs/dbraw/zinc/25/16/44/453251644.db2.gz RFEGKAVABNLRHW-UHFFFAOYSA-N 0 0 347.421 3.399 50 0 EGAARN C[C@H](Sc1nnnn1C)C(=O)n1c2ccccc2c2ccccc21 ZINC000009489158 453254797 /nfs/dbraw/zinc/25/47/97/453254797.db2.gz TWHQXMOTBLUULI-NSHDSACASA-N 0 0 337.408 3.139 50 0 EGAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 ZINC000009572762 453257913 /nfs/dbraw/zinc/25/79/13/453257913.db2.gz CTBRWBIFQLSARP-UHFFFAOYSA-N 0 0 344.436 3.280 50 0 EGAARN COc1ccc(CNC(=O)NCCCc2nc3ccccc3[nH]2)cc1 ZINC000009756313 453260327 /nfs/dbraw/zinc/26/03/27/453260327.db2.gz HMBRRPLMVMHYOL-UHFFFAOYSA-N 0 0 338.411 3.004 50 0 EGAARN NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc(Cl)ccc1Cl ZINC000009819973 453261710 /nfs/dbraw/zinc/26/17/10/453261710.db2.gz ILSAJISPMDWNKI-CQSZACIVSA-N 0 0 335.190 3.050 50 0 EGAARN CCOc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1 ZINC000010543300 453295859 /nfs/dbraw/zinc/29/58/59/453295859.db2.gz PCAHIFNXWFSASO-UHFFFAOYSA-N 0 0 337.416 3.136 50 0 EGAARN O=C(CCCSc1nnnn1-c1ccccc1)Nc1ccccc1 ZINC000011690099 453330885 /nfs/dbraw/zinc/33/08/85/453330885.db2.gz VJSCVLXCYGVHDX-UHFFFAOYSA-N 0 0 339.424 3.173 50 0 EGAARN O=C(CCN1CCCO1)N1CCC[C@H](CCc2cccc(F)c2)C1 ZINC000011720256 453333436 /nfs/dbraw/zinc/33/34/36/453333436.db2.gz WOKPFQAZYLUEPO-QGZVFWFLSA-N 0 0 334.435 3.024 50 0 EGAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000011903498 453337645 /nfs/dbraw/zinc/33/76/45/453337645.db2.gz COKMJUWHJONJAS-GFCCVEGCSA-N 0 0 343.452 3.076 50 0 EGAARN COC(=O)CCC(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000012055373 453343149 /nfs/dbraw/zinc/34/31/49/453343149.db2.gz MDNJMILTBRMZLO-ZDUSSCGKSA-N 0 0 339.382 3.089 50 0 EGAARN CC[C@H](C)CC(=O)NCCN1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000012052584 453343278 /nfs/dbraw/zinc/34/32/78/453343278.db2.gz FANRPCSHUCQHGO-DOTOQJQBSA-N 0 0 348.487 3.221 50 0 EGAARN CCCNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000012138661 453347492 /nfs/dbraw/zinc/34/74/92/453347492.db2.gz ULOPOMANUKEMFH-CQSZACIVSA-N 0 0 326.396 3.232 50 0 EGAARN CCCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000012138349 453347853 /nfs/dbraw/zinc/34/78/53/453347853.db2.gz NGORCZOQGPCUHW-UHFFFAOYSA-N 0 0 346.814 3.497 50 0 EGAARN COCCNC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000012138255 453348058 /nfs/dbraw/zinc/34/80/58/453348058.db2.gz YTEKRBUWWOAJPI-UHFFFAOYSA-N 0 0 340.423 3.439 50 0 EGAARN Cc1ccc(Oc2ncccc2CNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cn1 ZINC000012308959 453353315 /nfs/dbraw/zinc/35/33/15/453353315.db2.gz 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/nfs/dbraw/zinc/36/26/23/453362623.db2.gz NPEPNTAQKWRPRD-KRWDZBQOSA-N 0 0 341.455 3.195 50 0 EGAARN O=C(Nc1ccccc1F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000012460520 453363992 /nfs/dbraw/zinc/36/39/92/453363992.db2.gz SEONDYQUGQJFDM-AWEZNQCLSA-N 0 0 344.361 3.456 50 0 EGAARN COCCCC1CCN(c2nncc(-c3ccccc3F)n2)CC1 ZINC000012475148 453364467 /nfs/dbraw/zinc/36/44/67/453364467.db2.gz WTUFYGNGPKWNNP-UHFFFAOYSA-N 0 0 330.407 3.321 50 0 EGAARN COc1ccc(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1 ZINC000012448418 453365094 /nfs/dbraw/zinc/36/50/94/453365094.db2.gz MOVSUXVQNFWBKO-CYBMUJFWSA-N 0 0 330.350 3.441 50 0 EGAARN O=C(CCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000012596004 453381158 /nfs/dbraw/zinc/38/11/58/453381158.db2.gz BQAURXVMEKLTQD-OAHLLOKOSA-N 0 0 329.419 3.353 50 0 EGAARN CN1CCC[C@@]2(CCN(C(=O)c3cc4c(s3)CCCCC4)C2)C1=O ZINC000012595289 453381320 /nfs/dbraw/zinc/38/13/20/453381320.db2.gz MINJOVMUUCJSFN-IBGZPJMESA-N 0 0 346.496 3.102 50 0 EGAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)n2c3ccccc3nc2N1 ZINC000013121935 453446844 /nfs/dbraw/zinc/44/68/44/453446844.db2.gz MSQCLGRTDACFGF-ZDUSSCGKSA-N 0 0 340.770 3.153 50 0 EGAARN COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 ZINC000013132236 453449915 /nfs/dbraw/zinc/44/99/15/453449915.db2.gz OGZYNBVAFHRZQU-HOTGVXAUSA-N 0 0 339.374 3.154 50 0 aggregator EGAARN Cc1cc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)no1 ZINC000013329668 453459619 /nfs/dbraw/zinc/45/96/19/453459619.db2.gz IWZVQDKYBLTILO-UHFFFAOYSA-N 0 0 335.363 3.165 50 0 EGAARN CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 ZINC000013612242 453474329 /nfs/dbraw/zinc/47/43/29/453474329.db2.gz VPOOTOMOQWUSQL-UHFFFAOYSA-N 0 0 348.424 3.018 50 0 EGAARN CNC(=O)Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000013716868 453483753 /nfs/dbraw/zinc/48/37/53/453483753.db2.gz SIDUTYDASZUISJ-UHFFFAOYSA-N 0 0 336.313 3.246 50 0 EGAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccn2)CC1 ZINC000013744856 453486045 /nfs/dbraw/zinc/48/60/45/453486045.db2.gz SDGUAZHJGLYORB-UHFFFAOYSA-N 0 0 339.483 3.337 50 0 EGAARN Cc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)C[C@H]2C)cc1 ZINC000013737047 453486452 /nfs/dbraw/zinc/48/64/52/453486452.db2.gz ZVESSFJVYNEVPQ-GOSISDBHSA-N 0 0 337.467 3.453 50 0 EGAARN CCOc1ccc(CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1OCC ZINC000013960350 453493544 /nfs/dbraw/zinc/49/35/44/453493544.db2.gz KNEWCMSOXBDORY-IYBDPMFKSA-N 0 0 345.439 3.202 50 0 EGAARN CC(C)c1ccc(NC(=O)COCC(=O)NCc2cccs2)cc1 ZINC000013942201 453493923 /nfs/dbraw/zinc/49/39/23/453493923.db2.gz YKBQUDADPYRVKN-UHFFFAOYSA-N 0 0 346.452 3.143 50 0 EGAARN Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1C ZINC000014011311 453497715 /nfs/dbraw/zinc/49/77/15/453497715.db2.gz XEYPYOCTGMZWMF-WQRHYEAKSA-N 0 0 345.427 3.257 50 0 EGAARN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1C ZINC000014210777 453520205 /nfs/dbraw/zinc/52/02/05/453520205.db2.gz BXBGYNKOVBJBFO-CYBMUJFWSA-N 0 0 333.409 3.072 50 0 EGAARN CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000014219863 453520847 /nfs/dbraw/zinc/52/08/47/453520847.db2.gz VKCBYCMZZSEQOM-GFCCVEGCSA-N 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/nfs/dbraw/zinc/61/60/49/453616049.db2.gz RRNASFAYUWHOKX-ZDUSSCGKSA-N 0 0 336.395 3.075 50 0 EGAARN COc1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)ccc1O ZINC000016711904 453620528 /nfs/dbraw/zinc/62/05/28/453620528.db2.gz PKCYZNPZJASRKJ-NVNXTCNLSA-N 0 0 343.360 3.347 50 0 EGAARN COC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000016849161 453623034 /nfs/dbraw/zinc/62/30/34/453623034.db2.gz FRUCQRUHVGSMRN-UHFFFAOYSA-N 0 0 339.391 3.160 50 0 biogenic EGAARN CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2cccc(F)c2)cs1 ZINC000016891482 453623453 /nfs/dbraw/zinc/62/34/53/453623453.db2.gz AVTUODFGLBRKOV-UHFFFAOYSA-N 0 0 335.404 3.448 50 0 EGAARN O=C(COc1ccc(F)cc1)NCc1cc(-c2ccccc2F)on1 ZINC000016838495 453623477 /nfs/dbraw/zinc/62/34/77/453623477.db2.gz ZEEZDNAAGXOALE-UHFFFAOYSA-N 0 0 344.317 3.315 50 0 EGAARN CN1C(=O)Cc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000016916531 453624225 /nfs/dbraw/zinc/62/42/25/453624225.db2.gz DXYGUPYILHHMQY-UHFFFAOYSA-N 0 0 334.297 3.477 50 0 EGAARN COCc1nc2ccccc2n1C[C@H](O)COc1ccccc1Cl ZINC000016903777 453624429 /nfs/dbraw/zinc/62/44/29/453624429.db2.gz IVMVYJSUFDFDQE-ZDUSSCGKSA-N 0 0 346.814 3.276 50 0 EGAARN Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000017779483 453637436 /nfs/dbraw/zinc/63/74/36/453637436.db2.gz WBXOEBZOWBZWJY-UHFFFAOYSA-N 0 0 344.223 3.116 50 0 EGAARN O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018190001 453646745 /nfs/dbraw/zinc/64/67/45/453646745.db2.gz MSABGHPZDQHMIX-CYBMUJFWSA-N 0 0 327.211 3.111 50 0 EGAARN S=C(Nc1cccc(Cl)c1)N1CCN(c2ccccn2)CC1 ZINC000018251138 453650852 /nfs/dbraw/zinc/65/08/52/453650852.db2.gz CMBKOHYFPKHKGK-UHFFFAOYSA-N 0 0 332.860 3.254 50 0 EGAARN Cc1nn(Cc2ccccc2Cl)c2[nH]c(-c3cncn3C)nc12 ZINC000019110805 453654492 /nfs/dbraw/zinc/65/44/92/453654492.db2.gz HALBABGRXNSCAL-UHFFFAOYSA-N 0 0 326.791 3.170 50 0 EGAARN CCc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 ZINC000019327302 453656154 /nfs/dbraw/zinc/65/61/54/453656154.db2.gz GZBBGCMTVPOQAX-UHFFFAOYSA-N 0 0 346.474 3.406 50 0 EGAARN O=C(/C=C/c1ccccc1)N1CCN(c2cccc(Cl)n2)CC1 ZINC000020405497 453665039 /nfs/dbraw/zinc/66/50/39/453665039.db2.gz YNTFCSYNOLTOOA-MDZDMXLPSA-N 0 0 327.815 3.097 50 0 EGAARN Cc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CN(C)CC4 ZINC000020566731 453667401 /nfs/dbraw/zinc/66/74/01/453667401.db2.gz NHGMZCLKNOPTOC-UHFFFAOYSA-N 0 0 335.436 3.302 50 0 EGAARN Cc1nn(-c2ccc(=O)[nH]n2)c2c1[C@H](c1ccccc1C)CC(=O)N2 ZINC000031818798 453856206 /nfs/dbraw/zinc/85/62/06/453856206.db2.gz FJJWPPBJNLPTEP-ZDUSSCGKSA-N 0 0 335.367 3.108 50 0 EGAARN Cc1cccc([C@@H](CNC(=O)c2ccccc2C)N2CCOCC2)c1 ZINC000031998857 453861242 /nfs/dbraw/zinc/86/12/42/453861242.db2.gz AMEHGUBSNBBVAH-HXUWFJFHSA-N 0 0 338.451 3.107 50 0 EGAARN Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1F ZINC000067198380 453910237 /nfs/dbraw/zinc/91/02/37/453910237.db2.gz TZOPNKCRWQIEBY-UHFFFAOYSA-N 0 0 349.789 3.303 50 0 EGAARN Cc1ccc(N2CCN(C(=O)[C@H]3CC34CCCCC4)CC2=O)cc1 ZINC000082083474 453922127 /nfs/dbraw/zinc/92/21/27/453922127.db2.gz FYVAIWOTADOVNK-QGZVFWFLSA-N 0 0 326.440 3.141 50 0 EGAARN CCCCN(CC)C(=O)c1sccc1NC(=O)c1cnccn1 ZINC000067335721 453922539 /nfs/dbraw/zinc/92/25/39/453922539.db2.gz ADMFFFVPMKACEB-UHFFFAOYSA-N 0 0 332.429 3.053 50 0 EGAARN O=C(c1cn2cccnc2n1)N1CCCC[C@H]1CCc1cccs1 ZINC000082098489 453923789 /nfs/dbraw/zinc/92/37/89/453923789.db2.gz GDSUMQMDLXASJK-AWEZNQCLSA-N 0 0 340.452 3.418 50 0 EGAARN COc1cccc2cc(C(=O)Nc3cccc(F)c3)/c(=N/O)oc21 ZINC000067350820 453924240 /nfs/dbraw/zinc/92/42/40/453924240.db2.gz CRQSOLLQLYCVPJ-JZJYNLBNSA-N 0 0 328.299 3.123 50 0 EGAARN O=C(NC[C@@H](CO)Cc1ccco1)c1csc(-c2cccs2)n1 ZINC000082127650 453925386 /nfs/dbraw/zinc/92/53/86/453925386.db2.gz OMEQEHXELOZXBZ-NSHDSACASA-N 0 0 348.449 3.046 50 0 EGAARN CC(C)c1cc(C(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)n(C)n1 ZINC000082127997 453925494 /nfs/dbraw/zinc/92/54/94/453925494.db2.gz ZFSGWAKBWFCHLO-INIZCTEOSA-N 0 0 340.471 3.142 50 0 EGAARN Cc1ncsc1CCC(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000082127464 453925558 /nfs/dbraw/zinc/92/55/58/453925558.db2.gz VNVJTABHVIAFFZ-CQSZACIVSA-N 0 0 347.459 3.166 50 0 EGAARN Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000082139003 453926386 /nfs/dbraw/zinc/92/63/86/453926386.db2.gz MFTWADHCVCVXDK-CQSZACIVSA-N 0 0 332.404 3.094 50 0 EGAARN Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000082170826 453927225 /nfs/dbraw/zinc/92/72/25/453927225.db2.gz FCJHMXRUWCIJOL-KRWDZBQOSA-N 0 0 348.450 3.445 50 0 EGAARN O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000036699889 453929120 /nfs/dbraw/zinc/92/91/20/453929120.db2.gz JLCBKGLSAKHXNR-GOSISDBHSA-N 0 0 344.842 3.143 50 0 EGAARN Cc1cc(NC(=O)CSc2cc(-c3ccccc3)ncn2)no1 ZINC000036709716 453930300 /nfs/dbraw/zinc/93/03/00/453930300.db2.gz KRXUPFPKJPDIFG-UHFFFAOYSA-N 0 0 326.381 3.171 50 0 EGAARN Cc1nnsc1CN(C)C(=O)c1nc(-c2ccccc2)cs1 ZINC000067540479 453940817 /nfs/dbraw/zinc/94/08/17/453940817.db2.gz ZYKWZBRYPUUWGC-UHFFFAOYSA-N 0 0 330.438 3.242 50 0 EGAARN c1nc2ccccc2n1-c1ncccc1CNc1ncnc2c1CCC2 ZINC000067605315 453948201 /nfs/dbraw/zinc/94/82/01/453948201.db2.gz AQUKCCOHXRBAFM-UHFFFAOYSA-N 0 0 342.406 3.311 50 0 EGAARN Cn1c(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc2ccccc21 ZINC000040266786 453949499 /nfs/dbraw/zinc/94/94/99/453949499.db2.gz ASAMFPSAULDDIZ-ZDUSSCGKSA-N 0 0 328.397 3.134 50 0 EGAARN O=C(Cn1ccc2ccc(F)cc21)N1CCO[C@@H](c2ccccc2)C1 ZINC000040287560 453949532 /nfs/dbraw/zinc/94/95/32/453949532.db2.gz NIVNCFAEANSTSX-LJQANCHMSA-N 0 0 338.382 3.381 50 0 EGAARN COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc(OC)c1 ZINC000040478328 453950774 /nfs/dbraw/zinc/95/07/74/453950774.db2.gz JTYRQBFNIXTQLF-UHFFFAOYSA-N 0 0 341.342 3.485 50 0 EGAARN O=C(Cc1nc2ccccc2o1)NCCc1nc2c(s1)CCCC2 ZINC000067674238 453955078 /nfs/dbraw/zinc/95/50/78/453955078.db2.gz KZGDVEQYKGSWMP-UHFFFAOYSA-N 0 0 341.436 3.065 50 0 EGAARN Cc1cccc(SCC(=O)Nc2nnc3n2CCCCC3)c1C ZINC000041104858 453956414 /nfs/dbraw/zinc/95/64/14/453956414.db2.gz BPXGLAXSVKEXRN-UHFFFAOYSA-N 0 0 330.457 3.352 50 0 EGAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3cncn3C)C2)cc1 ZINC000067690913 453957832 /nfs/dbraw/zinc/95/78/32/453957832.db2.gz IASHSOQUKYCVCM-INIZCTEOSA-N 0 0 349.438 3.138 50 0 EGAARN Cc1ccc([C@H](NC(=O)CCN2CCCCO2)c2ccncc2)cc1 ZINC000055036132 453957830 /nfs/dbraw/zinc/95/78/30/453957830.db2.gz KHTKWTQIMNMLEA-FQEVSTJZSA-N 0 0 339.439 3.013 50 0 EGAARN Cc1ccc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)cc1 ZINC000055058956 453959062 /nfs/dbraw/zinc/95/90/62/453959062.db2.gz AVCTZXYTOMKYBI-UHFFFAOYSA-N 0 0 330.453 3.457 50 0 EGAARN Cc1ccc2[nH]c([C@@H](NC(=O)CCN3CCCCO3)C(C)C)nc2c1 ZINC000055052700 453959364 /nfs/dbraw/zinc/95/93/64/453959364.db2.gz AOZVASZNOSAMPK-SFHVURJKSA-N 0 0 344.459 3.102 50 0 EGAARN CCOc1ccc(CN(CCOC)C(=O)c2ccncc2Cl)cc1 ZINC000055071307 453960166 /nfs/dbraw/zinc/96/01/66/453960166.db2.gz ISCPTASHYXDOHH-UHFFFAOYSA-N 0 0 348.830 3.423 50 0 EGAARN Cc1cc(C)n(CCC[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC000055089343 453961231 /nfs/dbraw/zinc/96/12/31/453961231.db2.gz HDICOQAVEIDYJJ-QGZVFWFLSA-N 0 0 333.407 3.095 50 0 EGAARN COC(=O)[C@H]1CCCCN1Cc1nc(-c2cccc(F)c2)oc1C ZINC000055091099 453961441 /nfs/dbraw/zinc/96/14/41/453961441.db2.gz SWOJXKHVIDSMQE-MRXNPFEDSA-N 0 0 332.375 3.317 50 0 EGAARN C[C@@H](NC(=O)c1ccco1)C1=CCCN(Cc2ccc(Cl)nc2)C1 ZINC000067741282 453961668 /nfs/dbraw/zinc/96/16/68/453961668.db2.gz BGTPWLANGLHUCC-CYBMUJFWSA-N 0 0 345.830 3.279 50 0 EGAARN CC[C@@H](Nc1cccc(OC)c1)C(=O)Nc1cnc2n1CCCC2 ZINC000067741413 453961749 /nfs/dbraw/zinc/96/17/49/453961749.db2.gz HYDSOHKLKDMIGO-OAHLLOKOSA-N 0 0 328.416 3.057 50 0 EGAARN COc1cc(CN(C)Cc2nc3ccccc3n2C)cc(F)c1O ZINC000067773551 453965323 /nfs/dbraw/zinc/96/53/23/453965323.db2.gz PQAGGOODGQKWKU-UHFFFAOYSA-N 0 0 329.375 3.059 50 0 EGAARN COCC1(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)CC1 ZINC000067772887 453965498 /nfs/dbraw/zinc/96/54/98/453965498.db2.gz BVIZDRBFPATANQ-UHFFFAOYSA-N 0 0 348.349 3.195 50 0 EGAARN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cnc[nH]2)cc1 ZINC000067817882 453969164 /nfs/dbraw/zinc/96/91/64/453969164.db2.gz FEYKCXGFCIEYRS-MRXNPFEDSA-N 0 0 349.438 3.347 50 0 EGAARN COc1cccc(OCc2cc(C(=O)N3[C@H](C)CC[C@@H]3C)no2)c1 ZINC000067847639 453971986 /nfs/dbraw/zinc/97/19/86/453971986.db2.gz RRNAMPGJKFVGNY-BETUJISGSA-N 0 0 330.384 3.275 50 0 EGAARN CCCSc1ncc(CNCc2c(C)cc(C)nc2OC)cn1 ZINC000055270971 453973854 /nfs/dbraw/zinc/97/38/54/453973854.db2.gz VPDAHVNTUBPEQL-UHFFFAOYSA-N 0 0 332.473 3.289 50 0 EGAARN Cc1ncnc(NCc2cccnc2-n2cnc3ccccc32)c1C ZINC000067883743 453976605 /nfs/dbraw/zinc/97/66/05/453976605.db2.gz KGGRVPOZABLABK-UHFFFAOYSA-N 0 0 330.395 3.439 50 0 EGAARN CC[C@H](CO)N(Cc1ccc(C)s1)C(=O)c1ccnn1C(F)F ZINC000055370073 453978390 /nfs/dbraw/zinc/97/83/90/453978390.db2.gz UOFLMGNHRXQQSX-LLVKDONJSA-N 0 0 343.399 3.061 50 0 EGAARN CCNc1ncc(C(=O)N(C)Cc2ccccc2OCC(C)C)cn1 ZINC000055358523 453978792 /nfs/dbraw/zinc/97/87/92/453978792.db2.gz XIUBBPFWSSSUGF-UHFFFAOYSA-N 0 0 342.443 3.215 50 0 EGAARN COC[C@H](C)N(Cc1ccccc1OC)C(=O)Cc1ccc(O)cc1 ZINC000055413548 453983966 /nfs/dbraw/zinc/98/39/66/453983966.db2.gz 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/nfs/dbraw/zinc/11/86/74/454118674.db2.gz PTAHLVPOXYZMMV-SFHVURJKSA-N 0 0 336.391 3.133 50 0 EGAARN Cc1ccc2nc(C)cc(C(=O)NCCCc3csc(N)n3)c2c1 ZINC000077556000 454122642 /nfs/dbraw/zinc/12/26/42/454122642.db2.gz CLSLXVBXPDGLOH-UHFFFAOYSA-N 0 0 340.452 3.253 50 0 EGAARN CCOc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1F ZINC000057472251 454131436 /nfs/dbraw/zinc/13/14/36/454131436.db2.gz SDLLFJRNARVPBL-UHFFFAOYSA-N 0 0 335.306 3.159 50 0 EGAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000057477039 454132210 /nfs/dbraw/zinc/13/22/10/454132210.db2.gz RKOXFVYHTJIQPQ-UHFFFAOYSA-N 0 0 335.363 3.424 50 0 EGAARN CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccccc1C ZINC000057504957 454133305 /nfs/dbraw/zinc/13/33/05/454133305.db2.gz KFKJALQGMRHCPB-UHFFFAOYSA-N 0 0 345.449 3.127 50 0 EGAARN COc1c(CNCc2nc(-c3ccccc3)cs2)c(C)nn1C ZINC000058297464 454181569 /nfs/dbraw/zinc/18/15/69/454181569.db2.gz PCYHJDGHZWUYPD-UHFFFAOYSA-N 0 0 328.441 3.150 50 0 EGAARN Cc1nc(N(C)C)ncc1C(=O)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000095352591 454196236 /nfs/dbraw/zinc/19/62/36/454196236.db2.gz QEZZESHRFYECMA-CYBMUJFWSA-N 0 0 344.846 3.134 50 0 EGAARN CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCc1cccnc1 ZINC000095362054 454197300 /nfs/dbraw/zinc/19/73/00/454197300.db2.gz GIXCOGXIPZZZPT-QGZVFWFLSA-N 0 0 336.439 3.304 50 0 EGAARN Cc1ncsc1CCN(C)C(=O)Cn1ccnc1-c1ccccc1 ZINC000095366967 454198424 /nfs/dbraw/zinc/19/84/24/454198424.db2.gz LPNWSURHOBAOKV-UHFFFAOYSA-N 0 0 340.452 3.016 50 0 EGAARN Cc1ccc(F)cc1CC(=O)NC[C@H]1CCOc2ccccc2C1 ZINC000095369701 454199165 /nfs/dbraw/zinc/19/91/65/454199165.db2.gz GWAFDFQCVUNGTK-HNNXBMFYSA-N 0 0 327.399 3.434 50 0 EGAARN O=C(NCCc1nccs1)c1ccc2nc(-c3ccccc3)cn2c1 ZINC000095375427 454199312 /nfs/dbraw/zinc/19/93/12/454199312.db2.gz QXCVAIBERKXFRO-UHFFFAOYSA-N 0 0 348.431 3.430 50 0 EGAARN CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n(C)c1 ZINC000095387859 454200425 /nfs/dbraw/zinc/20/04/25/454200425.db2.gz ZMBHBGBQGUILTL-QGZVFWFLSA-N 0 0 340.423 3.306 50 0 EGAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCOCC1 ZINC000071405908 454205987 /nfs/dbraw/zinc/20/59/87/454205987.db2.gz REKZVLJMNPXOKF-UHFFFAOYSA-N 0 0 336.775 3.008 50 0 EGAARN COc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000046085631 454215566 /nfs/dbraw/zinc/21/55/66/454215566.db2.gz PGGDIHAYDPBDGP-ZDUSSCGKSA-N 0 0 349.814 3.311 50 0 EGAARN COc1ccc([C@@H](C)Nc2ncnc3c2cnn3-c2ccccn2)cc1 ZINC000046088344 454216695 /nfs/dbraw/zinc/21/66/95/454216695.db2.gz LIPGKNTXWCONKZ-CYBMUJFWSA-N 0 0 346.394 3.392 50 0 EGAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1cn[nH]n1)c1ccccc1 ZINC000095471367 454218884 /nfs/dbraw/zinc/21/88/84/454218884.db2.gz SSFRKWZJNUVAOI-HNNXBMFYSA-N 0 0 328.372 3.416 50 0 EGAARN CCN(Cc1cnn(C(C)C)c1)C(=O)[C@H]1COc2ccccc2C1 ZINC000095500584 454221860 /nfs/dbraw/zinc/22/18/60/454221860.db2.gz FRACHRQUEWKKLV-QGZVFWFLSA-N 0 0 327.428 3.064 50 0 EGAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095498306 454222267 /nfs/dbraw/zinc/22/22/67/454222267.db2.gz QXLQTFAMSWRFQC-CYBMUJFWSA-N 0 0 348.397 3.376 50 0 EGAARN Cc1ccc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc1 ZINC000095503773 454224269 /nfs/dbraw/zinc/22/42/69/454224269.db2.gz WFYUMFSDHODUBW-UHFFFAOYSA-N 0 0 333.439 3.414 50 0 EGAARN CC(C)c1nccn1[C@H](C)C(=O)NCc1c[nH]nc1-c1cccs1 ZINC000095509211 454224913 /nfs/dbraw/zinc/22/49/13/454224913.db2.gz BFJKNDPNNINDAQ-GFCCVEGCSA-N 0 0 343.456 3.336 50 0 EGAARN Cc1cc(C)nc(CN(C)C(=O)[C@H](c2ccccc2C)N(C)C)c1 ZINC000095510979 454225223 /nfs/dbraw/zinc/22/52/23/454225223.db2.gz JMTDUPJSWNPVTO-IBGZPJMESA-N 0 0 325.456 3.268 50 0 EGAARN O=C(CCn1ccc2ccccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119893345 454233279 /nfs/dbraw/zinc/23/32/79/454233279.db2.gz ZDGMSGBQLUHYBC-XLIONFOSSA-N 0 0 326.440 3.185 50 0 biogenic EGAARN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000059745663 454261562 /nfs/dbraw/zinc/26/15/62/454261562.db2.gz CWWIMWLZRKNMTG-OAHLLOKOSA-N 0 0 332.419 3.127 50 0 EGAARN CCCCCn1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21 ZINC000096024521 454263569 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ZINC000096123492 454289268 /nfs/dbraw/zinc/28/92/68/454289268.db2.gz KTNHORLCOOGKIM-FQEVSTJZSA-N 0 0 345.414 3.445 50 0 EGAARN COc1cccc([C@H]2CCN2C(=O)CCc2[nH]nc3c2CCCC3)c1 ZINC000096139357 454291418 /nfs/dbraw/zinc/29/14/18/454291418.db2.gz JRUNHQYLILYSJW-LJQANCHMSA-N 0 0 339.439 3.203 50 0 EGAARN Cc1n[nH]c(C)c1CCC(=O)N(Cc1ccco1)Cc1ccccn1 ZINC000096148290 454293484 /nfs/dbraw/zinc/29/34/84/454293484.db2.gz OXBIFEYSAWLSOJ-UHFFFAOYSA-N 0 0 338.411 3.176 50 0 EGAARN O=C(NC1CCCC1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 ZINC000096232230 454310923 /nfs/dbraw/zinc/31/09/23/454310923.db2.gz MNTAECXAHBDYRX-UHFFFAOYSA-N 0 0 346.814 3.280 50 0 EGAARN COc1ccc(C[C@H]2c3ccccc3N(C)C2=O)c(OC)c1OC ZINC000096822483 454382487 /nfs/dbraw/zinc/38/24/87/454382487.db2.gz YJAHVNSOKMHTEI-AWEZNQCLSA-N 0 0 327.380 3.015 50 0 EGAARN Cc1cc([C@H]2CCCCN2Cc2cnc(N3CCOCC3)s2)no1 ZINC000097076486 454399553 /nfs/dbraw/zinc/39/95/53/454399553.db2.gz QXVUXFYGWUCKNY-MRXNPFEDSA-N 0 0 348.472 3.003 50 0 EGAARN COc1cc2c(cc1-c1cn(Cc3cncn3C3CC3)nn1)CCC2 ZINC000091269921 454420547 /nfs/dbraw/zinc/42/05/47/454420547.db2.gz PHHHCFMVKQNRAH-UHFFFAOYSA-N 0 0 335.411 3.022 50 0 EGAARN Cn1cc(NC(=O)CCn2ccc3ccc(Br)cc32)cn1 ZINC000079487822 454422120 /nfs/dbraw/zinc/42/21/20/454422120.db2.gz RTIJVZLWZVAJMX-UHFFFAOYSA-N 0 0 347.216 3.166 50 0 EGAARN COc1cccc2cc(C(=O)N3CC[C@H](Oc4ccncc4)C3)oc21 ZINC000121366716 454425881 /nfs/dbraw/zinc/42/58/81/454425881.db2.gz XRSJZKHEBNVDRX-HNNXBMFYSA-N 0 0 338.363 3.130 50 0 EGAARN O=C(CCn1ccc2ccc(F)cc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079501764 454426413 /nfs/dbraw/zinc/42/64/13/454426413.db2.gz VIUDVFAEWYQYOL-JXFKEZNVSA-N 0 0 344.430 3.324 50 0 EGAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCN(c2nccs2)CC1 ZINC000091325902 454427936 /nfs/dbraw/zinc/42/79/36/454427936.db2.gz TVTHHJPGMQRCHM-UHFFFAOYSA-N 0 0 341.436 3.469 50 0 EGAARN CN(Cc1ccc(-c2ccccc2)cc1)C(=O)CN1CCCCC1=O ZINC000097263286 454429452 /nfs/dbraw/zinc/42/94/52/454429452.db2.gz PQLSZYPQWZLIHI-UHFFFAOYSA-N 0 0 336.435 3.325 50 0 EGAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(F)(F)F)[nH]n2)cc1 ZINC000091364435 454429733 /nfs/dbraw/zinc/42/97/33/454429733.db2.gz NHJTZMQOTDCKET-CQSZACIVSA-N 0 0 339.317 3.252 50 0 EGAARN CCc1nccn1S(=O)(=O)c1cc(C)c(C)cc1Br ZINC000048044601 454435422 /nfs/dbraw/zinc/43/54/22/454435422.db2.gz PTYOTELBBKVGQC-UHFFFAOYSA-N 0 0 343.246 3.062 50 0 EGAARN CNC(=O)c1ccc(C[N@@H+]2CCC[C@@](CC=C(C)C)(C(=O)[O-])C2)cc1 ZINC000091468567 454438751 /nfs/dbraw/zinc/43/87/51/454438751.db2.gz QSLDMOLYEQLTLI-FQEVSTJZSA-N 0 0 344.455 3.069 50 0 EGAARN CCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 ZINC000091474981 454438878 /nfs/dbraw/zinc/43/88/78/454438878.db2.gz JBWZZDJWCZPRGV-KRWDZBQOSA-N 0 0 344.455 3.261 50 0 EGAARN CC[C@@H](c1cccnc1)N(C)C(=O)c1cn(C)c2ccccc2c1=O ZINC000097570719 454440740 /nfs/dbraw/zinc/44/07/40/454440740.db2.gz SKGVOHWMFDNHGQ-KRWDZBQOSA-N 0 0 335.407 3.157 50 0 EGAARN O=C(CCn1cccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000073489213 454441724 /nfs/dbraw/zinc/44/17/24/454441724.db2.gz BVWMUSSVNJDSSA-UHFFFAOYSA-N 0 0 341.392 3.369 50 0 EGAARN O=C(CCc1cn2ccccc2n1)NCCOc1ccccc1Cl ZINC000097674061 454442861 /nfs/dbraw/zinc/44/28/61/454442861.db2.gz SOYDQCAVXQLBIJ-UHFFFAOYSA-N 0 0 343.814 3.116 50 0 EGAARN Cc1nnc([C@H]2CCCN2CC2=Cc3cc(Cl)ccc3OC2)[nH]1 ZINC000097717015 454445268 /nfs/dbraw/zinc/44/52/68/454445268.db2.gz VISGZRPKUHKXLA-OAHLLOKOSA-N 0 0 330.819 3.379 50 0 EGAARN CC(=O)c1cc(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cs1 ZINC000097772724 454446731 /nfs/dbraw/zinc/44/67/31/454446731.db2.gz CSOWZUUQMSCJMZ-INIZCTEOSA-N 0 0 347.411 3.232 50 0 EGAARN CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000091586599 454447386 /nfs/dbraw/zinc/44/73/86/454447386.db2.gz MVPDWGBGVVTQJQ-OAQYLSRUSA-N 0 0 343.467 3.362 50 0 EGAARN CCN1CC2(CCC1=O)CCN(c1cc(C(F)(F)F)ccn1)CC2 ZINC000091593004 454448754 /nfs/dbraw/zinc/44/87/54/454448754.db2.gz IRYMIRHZZKVYAZ-UHFFFAOYSA-N 0 0 341.377 3.329 50 0 EGAARN Cc1cnn(CCC(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)c1 ZINC000091625681 454450473 /nfs/dbraw/zinc/45/04/73/454450473.db2.gz LYOXXALZYJPHIT-GOSISDBHSA-N 0 0 341.455 3.301 50 0 EGAARN C[C@@H]1CN(C(=O)c2ccccc2OCc2ccccc2)CC[C@]1(C)O ZINC000091625571 454451201 /nfs/dbraw/zinc/45/12/01/454451201.db2.gz OSAULBPPANASND-IERDGZPVSA-N 0 0 339.435 3.499 50 0 EGAARN Cc1ccc(-c2noc(CCc3nc4c(ccc(C)c4C)[nH]3)n2)nn1 ZINC000091690051 454459132 /nfs/dbraw/zinc/45/91/32/454459132.db2.gz NYZFQQLHCKVOFG-UHFFFAOYSA-N 0 0 334.383 3.113 50 0 EGAARN COC(=O)C(=CNc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000100025876 454463801 /nfs/dbraw/zinc/46/38/01/454463801.db2.gz CVHILUGNLFKJHU-ATVHPVEESA-N 0 0 345.420 3.204 50 0 EGAARN CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(F)cc3)oc21 ZINC000100086388 454464053 /nfs/dbraw/zinc/46/40/53/454464053.db2.gz ZDQLGJTZOREWDO-UZYVYHOESA-N 0 0 326.327 3.302 50 0 EGAARN Cn1cccc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000091745612 454466653 /nfs/dbraw/zinc/46/66/53/454466653.db2.gz QVENABXLROGHMP-UHFFFAOYSA-N 0 0 336.395 3.095 50 0 EGAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000048339933 454474927 /nfs/dbraw/zinc/47/49/27/454474927.db2.gz UQKOQNIBJLOTTK-NSHDSACASA-N 0 0 347.374 3.469 50 0 EGAARN O=C(NCc1cccc(N2CCCC2)c1)[C@@H]1COc2ccccc2C1 ZINC000091907720 454488258 /nfs/dbraw/zinc/48/82/58/454488258.db2.gz YJLHYWIFAJKGLL-SFHVURJKSA-N 0 0 336.435 3.154 50 0 EGAARN COCCn1ccnc1C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000091951424 454493222 /nfs/dbraw/zinc/49/32/22/454493222.db2.gz OTCVHWWEWPEHSD-UHFFFAOYSA-N 0 0 333.476 3.206 50 0 EGAARN Clc1ccc2nc(N3CCCN(c4ccncn4)CC3)sc2c1 ZINC000091997235 454501068 /nfs/dbraw/zinc/50/10/68/454501068.db2.gz ARYISBJHNWGGIA-UHFFFAOYSA-N 0 0 345.859 3.456 50 0 EGAARN CC(C)n1ccnc1C1CCN(C(=O)c2ccc3nccnc3c2)CC1 ZINC000092022161 454504521 /nfs/dbraw/zinc/50/45/21/454504521.db2.gz DGDJLQNSESIENX-UHFFFAOYSA-N 0 0 349.438 3.427 50 0 EGAARN CCCc1nc(C)c(CNC(=O)c2cc(=O)[nH]c3ccccc32)s1 ZINC000092028377 454505129 /nfs/dbraw/zinc/50/51/29/454505129.db2.gz FRFBJVXMIVDNLF-UHFFFAOYSA-N 0 0 341.436 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/nfs/dbraw/zinc/33/62/23/202336223.db2.gz YNUYWPSIULUYQG-HNNXBMFYSA-N 0 0 342.292 3.397 50 0 EGAARN Cc1occc1-c1nnc(S[C@@H]2COC(=O)C2)n1-c1ccccc1 ZINC000036646347 202328634 /nfs/dbraw/zinc/32/86/34/202328634.db2.gz OWMXDVGCGWOGGT-ZDUSSCGKSA-N 0 0 341.392 3.243 50 0 EGAARN Cc1ccc2cnn(CCC(=O)Nc3cc(-c4ccncc4)[nH]n3)c2c1 ZINC000072255992 202360140 /nfs/dbraw/zinc/36/01/40/202360140.db2.gz SXGGIKFXKKFPDO-UHFFFAOYSA-N 0 0 346.394 3.159 50 0 EGAARN CCc1nc(C)sc1C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000072326229 202363993 /nfs/dbraw/zinc/36/39/93/202363993.db2.gz MQVBTJCVPLJIDW-UHFFFAOYSA-N 0 0 343.452 3.476 50 0 biogenic EGAARN O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)C1CC1 ZINC000075154813 202375980 /nfs/dbraw/zinc/37/59/80/202375980.db2.gz ZFBUBRAPQJSYOR-UHFFFAOYSA-N 0 0 339.457 3.424 50 0 EGAARN Cc1cc(C)n(-c2ncc(NC(=O)Cc3ccc(Cl)cc3)cn2)n1 ZINC000075161652 202377467 /nfs/dbraw/zinc/37/74/67/202377467.db2.gz KMGAIGCTARRPQF-UHFFFAOYSA-N 0 0 341.802 3.114 50 0 EGAARN O=C(Nc1nc2c(s1)COCC2)c1ccc(-n2cccc2)cc1 ZINC000075442233 202381115 /nfs/dbraw/zinc/38/11/15/202381115.db2.gz YZFXTEBNELBWML-UHFFFAOYSA-N 0 0 325.393 3.259 50 0 EGAARN CC(C)(C)C(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 ZINC000072433972 216228618 /nfs/dbraw/zinc/22/86/18/216228618.db2.gz OYUOHPSTDUBJRK-UHFFFAOYSA-N 0 0 336.399 3.391 50 0 EGAARN NC(=O)COc1cccc(-c2nccn2[C@H]2CCc3ccccc3C2)c1 ZINC000072431766 216225737 /nfs/dbraw/zinc/22/57/37/216225737.db2.gz GUARPILSCNIMNR-SFHVURJKSA-N 0 0 347.418 3.144 50 0 EGAARN Cc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000072478874 216259238 /nfs/dbraw/zinc/25/92/38/216259238.db2.gz GVNPUAZJYZOFHT-GFCCVEGCSA-N 0 0 326.425 3.348 50 0 EGAARN O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(F)cc1Cl ZINC000239611750 201152652 /nfs/dbraw/zinc/15/26/52/201152652.db2.gz FDCUNLVBQGKLFX-INIZCTEOSA-N 0 0 344.777 3.242 50 0 EGAARN Cc1csc([C@H]2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1 ZINC000065458847 201153697 /nfs/dbraw/zinc/15/36/97/201153697.db2.gz JCTJMRZWQPOQCZ-CQSZACIVSA-N 0 0 342.424 3.075 50 0 EGAARN CC(C)(C)c1csc([C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 ZINC000065487694 201154784 /nfs/dbraw/zinc/15/47/84/201154784.db2.gz RUDXDQZMPSDSDV-GFCCVEGCSA-N 0 0 348.472 3.275 50 0 EGAARN Cc1cccc(CC(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1 ZINC000253402471 201187060 /nfs/dbraw/zinc/18/70/60/201187060.db2.gz OKIOSRXMKXAHOM-SFHVURJKSA-N 0 0 344.480 3.037 50 0 EGAARN O=C(c1cc(Cl)ccc1Cl)N1CCn2nc3c(c2C1)CCC3 ZINC000253473725 201187701 /nfs/dbraw/zinc/18/77/01/201187701.db2.gz XNSCCPCLQBHKIW-UHFFFAOYSA-N 0 0 336.222 3.335 50 0 EGAARN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(Cl)cc1Cl ZINC000152445673 201390998 /nfs/dbraw/zinc/39/09/98/201390998.db2.gz SVXJQNOWIFJOAU-GFCCVEGCSA-N 0 0 336.222 3.397 50 0 EGAARN O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(F)cc1Cl ZINC000085559949 202623985 /nfs/dbraw/zinc/62/39/85/202623985.db2.gz XPVLSJOTXQXBEA-GOSISDBHSA-N 0 0 333.790 3.129 50 0 EGAARN O=c1ccn(-c2ccccc2)nc1-c1nc(-c2cccc(F)c2)no1 ZINC000049006320 202614203 /nfs/dbraw/zinc/61/42/03/202614203.db2.gz ONHBXLGOAIMQJO-UHFFFAOYSA-N 0 0 334.310 3.089 50 0 EGAARN O=C(COc1ccccc1)NCCCn1ccnc1-c1ccccc1 ZINC000085555017 202621509 /nfs/dbraw/zinc/62/15/09/202621509.db2.gz ZCGBGAJGZFCUAY-UHFFFAOYSA-N 0 0 335.407 3.135 50 0 EGAARN COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccccc2C)c1 ZINC000051356352 202639131 /nfs/dbraw/zinc/63/91/31/202639131.db2.gz WZXIUEVUFYLNQO-CQSZACIVSA-N 0 0 327.380 3.038 50 0 EGAARN CCC(CC)N(CCc1ccccc1)C(=O)C[C@H]1C=CS(=O)(=O)C1 ZINC000055383977 202690599 /nfs/dbraw/zinc/69/05/99/202690599.db2.gz QIMGHAHZFNXBPS-QGZVFWFLSA-N 0 0 349.496 3.195 50 0 EGAARN CC[C@H](CO)N(Cc1ccsc1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000055413761 202693075 /nfs/dbraw/zinc/69/30/75/202693075.db2.gz MFCIUQIXLGPHMY-QGZVFWFLSA-N 0 0 346.452 3.120 50 0 EGAARN COc1ccc(C2(C(=O)NCc3c(C)noc3C)CCCC2)cc1 ZINC000058859786 202773616 /nfs/dbraw/zinc/77/36/16/202773616.db2.gz FMAFOXGAHGIDLP-UHFFFAOYSA-N 0 0 328.412 3.428 50 0 EGAARN Cc1cccc(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000023105692 212348402 /nfs/dbraw/zinc/34/84/02/212348402.db2.gz OUOLKYNKKVFNPU-MRXNPFEDSA-N 0 0 345.468 3.252 50 0 EGAARN Cc1cc(NC(=O)c2sc(Nc3ccccc3F)nc2N)on1 ZINC000000054429 201427322 /nfs/dbraw/zinc/42/73/22/201427322.db2.gz NCGSUQSACMDBCZ-UHFFFAOYSA-N 0 0 333.348 3.157 50 0 EGAARN CN(C)c1ccc(CCNC(=O)c2ccc(Br)cc2)cc1 ZINC000023001456 212342070 /nfs/dbraw/zinc/34/20/70/212342070.db2.gz KKNVUTZPJSMMHP-UHFFFAOYSA-N 0 0 347.256 3.488 50 0 EGAARN COc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000059348 201427587 /nfs/dbraw/zinc/42/75/87/201427587.db2.gz QVCVVXDQQPUNKU-HNNXBMFYSA-N 0 0 330.771 3.093 50 0 EGAARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000000068258 201430255 /nfs/dbraw/zinc/43/02/55/201430255.db2.gz CKJCKXORPLLHAB-JTQLQIEISA-N 0 0 344.436 3.233 50 0 EGAARN CS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccccc3)cc21 ZINC000022503302 212301927 /nfs/dbraw/zinc/30/19/27/212301927.db2.gz LOBLJCJPGKLQKT-UHFFFAOYSA-N 0 0 345.424 3.043 50 0 EGAARN CC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(c2cccnc2)C1 ZINC000000077546 201431330 /nfs/dbraw/zinc/43/13/30/201431330.db2.gz DUYSACDMGNTLEG-HXUWFJFHSA-N 0 0 337.423 3.446 50 0 EGAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000000087971 201432373 /nfs/dbraw/zinc/43/23/73/201432373.db2.gz VCUJYJHFBUWDLM-OAHLLOKOSA-N 0 0 338.407 3.249 50 0 EGAARN COc1cc(OC)cc(C(=O)Nc2c3nsnc3ccc2C)c1 ZINC000000097673 201434084 /nfs/dbraw/zinc/43/40/84/201434084.db2.gz GNNHLTSTWISSOV-UHFFFAOYSA-N 0 0 329.381 3.269 50 0 EGAARN CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2C)nc1C ZINC000000122279 201437849 /nfs/dbraw/zinc/43/78/49/201437849.db2.gz SWPZSNMDAVRQQA-UHFFFAOYSA-N 0 0 348.424 3.263 50 0 EGAARN Cc1cccc(C)c1OCC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000000148493 201441421 /nfs/dbraw/zinc/44/14/21/201441421.db2.gz KHWXSCDXNBBIQW-LBPRGKRZSA-N 0 0 333.413 3.024 50 0 EGAARN COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C ZINC000000200838 201447160 /nfs/dbraw/zinc/44/71/60/201447160.db2.gz OVQYTNOEZLKORJ-OAHLLOKOSA-N 0 0 337.423 3.217 50 0 EGAARN C[C@H](NC(=O)CCn1nc(-c2ccccc2)ccc1=O)c1ccccc1 ZINC000000220178 201450686 /nfs/dbraw/zinc/45/06/86/201450686.db2.gz DKVJZHPWLMVUQL-INIZCTEOSA-N 0 0 347.418 3.178 50 0 EGAARN COc1ccc(CCC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 ZINC000211116790 241078250 /nfs/dbraw/zinc/07/82/50/241078250.db2.gz HMNNBXRCSJLIQU-LJQANCHMSA-N 0 0 338.451 3.413 50 0 EGAARN Cc1nc2ccccn2c1CC(=O)N[C@@H](c1cccnc1)C(F)(F)F ZINC000214993115 241099610 /nfs/dbraw/zinc/09/96/10/241099610.db2.gz ZNGALXWRZYYQRP-INIZCTEOSA-N 0 0 348.328 3.000 50 0 EGAARN CC[C@H](NC(=O)Cc1c(F)cccc1Cl)c1cn2cccnc2n1 ZINC000215045586 241101961 /nfs/dbraw/zinc/10/19/61/241101961.db2.gz XUFOUNXRYHQKPP-AWEZNQCLSA-N 0 0 346.793 3.332 50 0 EGAARN COc1cccc([C@H]2CCCCN2C(=O)c2cc(C)[nH]c(=O)c2)c1 ZINC000215253337 241113416 /nfs/dbraw/zinc/11/34/16/241113416.db2.gz OHDSGZZMOIEWDW-QGZVFWFLSA-N 0 0 326.396 3.059 50 0 EGAARN CN(Cc1cnc(-c2ccco2)nc1)C[C@H]1COc2ccccc2O1 ZINC000215259263 241114739 /nfs/dbraw/zinc/11/47/39/241114739.db2.gz QYMDBNINEVVIFI-HNNXBMFYSA-N 0 0 337.379 3.008 50 0 EGAARN Cc1ccn2c(F)c(C(=O)NCCCSCc3ccco3)nc2c1 ZINC000215219696 241114895 /nfs/dbraw/zinc/11/48/95/241114895.db2.gz ITDULOGERBTLOU-UHFFFAOYSA-N 0 0 347.415 3.428 50 0 EGAARN Cc1ccnc([C@H](NC(=O)c2cc(=O)n(C)c3ccccc23)C2CC2)c1 ZINC000215309598 241116498 /nfs/dbraw/zinc/11/64/98/241116498.db2.gz DTOIXNJXWWZDLT-HXUWFJFHSA-N 0 0 347.418 3.123 50 0 EGAARN Cc1ccc(Sc2ccc(CN3CCO[C@@H](CCO)C3)o2)cc1 ZINC000215769193 241141804 /nfs/dbraw/zinc/14/18/04/241141804.db2.gz QFTXXZOJOSXMMU-HNNXBMFYSA-N 0 0 333.453 3.322 50 0 EGAARN Cc1nn(C)c(C)c1CCC(=O)NCc1csc2c1CCCC2 ZINC000216065860 241164889 /nfs/dbraw/zinc/16/48/89/241164889.db2.gz XDVPZRICSISIEE-UHFFFAOYSA-N 0 0 331.485 3.226 50 0 EGAARN CC(C)Nc1ccnc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1 ZINC000216503210 241199555 /nfs/dbraw/zinc/19/95/55/241199555.db2.gz KWYHGJJAAWPVNS-UHFFFAOYSA-N 0 0 348.472 3.041 50 0 EGAARN CCc1nc(C)sc1C(=O)N(CCOC)Cc1ccccc1F ZINC000216540891 241201483 /nfs/dbraw/zinc/20/14/83/241201483.db2.gz MUQJPVSVWCMIAX-UHFFFAOYSA-N 0 0 336.432 3.442 50 0 EGAARN CCC12C[C@H]3C[C@@H](C1)CC(NC(=O)c1cnn4ccn(C)c14)(C3)C2 ZINC000215493467 241127965 /nfs/dbraw/zinc/12/79/65/241127965.db2.gz MGIPLVOHOFLNRG-BAUKFBFWSA-N 0 0 326.444 3.152 50 0 EGAARN CCCn1ncc(CN(Cc2ccncc2)C[C@@H]2CCCO2)c1C ZINC000215533797 241130373 /nfs/dbraw/zinc/13/03/73/241130373.db2.gz JWDOAPFLWCGCCR-IBGZPJMESA-N 0 0 328.460 3.178 50 0 EGAARN CCc1ccc(CN(CCOC)C(=O)c2nn(C)c(C)c2Cl)cc1 ZINC000215632480 241136145 /nfs/dbraw/zinc/13/61/45/241136145.db2.gz JRJJJMCACGCHPN-UHFFFAOYSA-N 0 0 349.862 3.233 50 0 EGAARN Clc1cc2c(cc1CSc1nnnn1-c1ccccc1)OCO2 ZINC000000267025 201455211 /nfs/dbraw/zinc/45/52/11/201455211.db2.gz OYICCNVINKNSCX-UHFFFAOYSA-N 0 0 346.799 3.337 50 0 EGAARN COc1ccccc1N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl ZINC000000374289 201466153 /nfs/dbraw/zinc/46/61/53/201466153.db2.gz ZOZHPQYUSLNMCJ-JTQLQIEISA-N 0 0 340.638 3.075 50 0 EGAARN Fc1ccccc1-c1nc2c3cnn(Cc4ccccc4)c3ncn2n1 ZINC000000537787 201484660 /nfs/dbraw/zinc/48/46/60/201484660.db2.gz DSSKBTYYOHZAKG-UHFFFAOYSA-N 0 0 344.353 3.328 50 0 EGAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 ZINC000000617716 201491195 /nfs/dbraw/zinc/49/11/95/201491195.db2.gz FJKXPULBWLSQEY-FUHWJXTLSA-N 0 0 325.364 3.328 50 0 EGAARN Cc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CC(=O)N(C(C)C)C1 ZINC000219163037 241367743 /nfs/dbraw/zinc/36/77/43/241367743.db2.gz HJDWTVCGPYJRSD-GFCCVEGCSA-N 0 0 342.361 3.001 50 0 EGAARN CC(=O)N(Cc1nnc2c3ccccc3c(C)nn12)c1ccccc1 ZINC000001049672 201496664 /nfs/dbraw/zinc/49/66/64/201496664.db2.gz ZGKAHOCYKSGJAZ-UHFFFAOYSA-N 0 0 331.379 3.139 50 0 EGAARN Cc1cc(OCC(=O)NCc2ccncc2)c(C)cc1Br ZINC000001064530 201497810 /nfs/dbraw/zinc/49/78/10/201497810.db2.gz FIXMQMOIFYCPEY-UHFFFAOYSA-N 0 0 349.228 3.156 50 0 EGAARN COc1ccccc1N1CCN(C(=O)/C(C)=C\c2ccccc2)CC1 ZINC000000463904 201476608 /nfs/dbraw/zinc/47/66/08/201476608.db2.gz KTHDIZCTVDOLKQ-MSUUIHNZSA-N 0 0 336.435 3.447 50 0 EGAARN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000009982621 201501748 /nfs/dbraw/zinc/50/17/48/201501748.db2.gz 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/nfs/dbraw/zinc/53/69/47/201536947.db2.gz QYAJNPSNQGVYGY-VIFPVBQESA-N 0 0 336.243 3.458 50 0 EGAARN Cc1cc(=O)oc2cc(NC(=O)c3noc4c3C[C@H](C)CC4)ccc12 ZINC000002807853 201547433 /nfs/dbraw/zinc/54/74/33/201547433.db2.gz GSEBYOIOYWJGLG-SNVBAGLBSA-N 0 0 338.363 3.467 50 0 EGAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000002836591 201548284 /nfs/dbraw/zinc/54/82/84/201548284.db2.gz ZNXHHCWDGTURLG-UHFFFAOYSA-N 0 0 337.828 3.369 50 0 EGAARN COc1cc(C(=O)NC[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000002940697 201551935 /nfs/dbraw/zinc/55/19/35/201551935.db2.gz PJWDZAJKXVWFKO-CYBMUJFWSA-N 0 0 329.396 3.246 50 0 biogenic EGAARN COc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OC ZINC000004399650 201600063 /nfs/dbraw/zinc/60/00/63/201600063.db2.gz LMILDENACSNEQM-UHFFFAOYSA-N 0 0 344.436 3.230 50 0 EGAARN CC[C@H](C)N1C(=O)S/C(=C/c2cc3c(c(OC)c2)OCO3)C1=O ZINC000004472121 201601870 /nfs/dbraw/zinc/60/18/70/201601870.db2.gz UDPBUWKXLDNLJX-PBJWJZLWSA-N 0 0 335.381 3.259 50 0 EGAARN 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/nfs/dbraw/zinc/20/83/02/206208302.db2.gz MVVAFKWMYNZETK-CYBMUJFWSA-N 0 0 336.391 3.435 50 0 EGAARN O=C(NCCc1cscn1)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000159179708 206229169 /nfs/dbraw/zinc/22/91/69/206229169.db2.gz NBAKJPFGRAFUTA-INIZCTEOSA-N 0 0 347.440 3.065 50 0 EGAARN COc1cc(OC)cc(C(=O)Nc2ccc(Br)cn2)c1 ZINC000000852618 206254172 /nfs/dbraw/zinc/25/41/72/206254172.db2.gz ZXJYQAVCHKIDCA-UHFFFAOYSA-N 0 0 337.173 3.114 50 0 EGAARN CCCn1c(=O)nc2ccccc2c1NC(=O)Nc1cccc(C)c1 ZINC000101113565 206269140 /nfs/dbraw/zinc/26/91/40/206269140.db2.gz LXWWFLBJMMUWPC-OQKWZONESA-N 0 0 336.395 3.181 50 0 EGAARN O=C(c1cccc(F)c1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000794367 296251384 /nfs/dbraw/zinc/25/13/84/296251384.db2.gz YXKVLCLABXMZTO-SMDDNHRTSA-N 0 0 330.281 3.079 50 0 EGAARN O=C(NCCO)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000006112654 206510540 /nfs/dbraw/zinc/51/05/40/206510540.db2.gz QARQEDDOZGODBV-UHFFFAOYSA-N 0 0 349.365 3.244 50 0 biogenic EGAARN CCn1nc(CC(C)C)cc1C(=O)N1CC(Oc2ccccc2F)C1 ZINC000091434765 218005180 /nfs/dbraw/zinc/00/51/80/218005180.db2.gz SDAZLCLJIJHOSM-UHFFFAOYSA-N 0 0 345.418 3.144 50 0 EGAARN CCCc1cc(C(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)[nH]n1 ZINC000091460937 218009810 /nfs/dbraw/zinc/00/98/10/218009810.db2.gz ZAPFQZBJODOZEO-CQSZACIVSA-N 0 0 345.418 3.433 50 0 EGAARN O=C(NC[C@@H]1CCCN1c1nccs1)c1c[nH]c2ccccc12 ZINC000206780888 206725888 /nfs/dbraw/zinc/72/58/88/206725888.db2.gz HICUMSUCVGVHBH-LBPRGKRZSA-N 0 0 326.425 3.023 50 0 EGAARN CCCCN1c2ccc(NS(=O)(=O)CC(C)C)cc2CCC1=O ZINC000008840760 211009649 /nfs/dbraw/zinc/00/96/49/211009649.db2.gz WRCOFJSPCIRFTJ-UHFFFAOYSA-N 0 0 338.473 3.164 50 0 EGAARN CC(C)(C)OC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206843073 206901328 /nfs/dbraw/zinc/90/13/28/206901328.db2.gz PRIMLMLFFRUMOD-CYBMUJFWSA-N 0 0 331.372 3.070 50 0 EGAARN COc1ccc(CC(=O)NC[C@H](OC)c2ccc(C)s2)cc1OC ZINC000096104719 218597498 /nfs/dbraw/zinc/59/74/98/218597498.db2.gz BXDMSPSWJJZUGS-INIZCTEOSA-N 0 0 349.452 3.120 50 0 EGAARN CCOc1cccc2cc(C(=O)Nc3nnc(-c4ccno4)o3)oc21 ZINC000012234644 207081370 /nfs/dbraw/zinc/08/13/70/207081370.db2.gz ABGSOYUPXHCYAV-UHFFFAOYSA-N 0 0 340.295 3.122 50 0 EGAARN Cc1ccc(-c2cc(CNC(=O)COc3ccccc3F)no2)cc1 ZINC000012235581 207082325 /nfs/dbraw/zinc/08/23/25/207082325.db2.gz MDWFHDYGFBNXHS-UHFFFAOYSA-N 0 0 340.354 3.484 50 0 EGAARN COc1ccccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1)OC ZINC000096384621 218747535 /nfs/dbraw/zinc/74/75/35/218747535.db2.gz TZCMVRFGCSCKEG-QGZVFWFLSA-N 0 0 349.814 3.231 50 0 EGAARN COc1cccc([C@@H](CNC(=O)CCc2ccccc2F)OC)c1 ZINC000096390140 218748156 /nfs/dbraw/zinc/74/81/56/218748156.db2.gz GWZIDBGQWDHMGH-GOSISDBHSA-N 0 0 331.387 3.271 50 0 EGAARN CO[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1C ZINC000096389283 218748413 /nfs/dbraw/zinc/74/84/13/218748413.db2.gz JAPNBXUZWJQBLE-HHNLSAEISA-N 0 0 331.437 3.273 50 0 EGAARN COc1ccc(-c2cc(CNC(=O)COc3ccccc3)no2)cc1 ZINC000012637999 207182804 /nfs/dbraw/zinc/18/28/04/207182804.db2.gz SIXFLECGTHZWHU-UHFFFAOYSA-N 0 0 338.363 3.045 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/nfs/dbraw/zinc/10/09/73/258100973.db2.gz MPSRANLITIOUFR-UHFFFAOYSA-N 0 0 345.374 3.305 50 0 EGAARN CN(C[C@@H]1COCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1 ZINC000299797521 258101670 /nfs/dbraw/zinc/10/16/70/258101670.db2.gz PDLGHBNTBWRNTK-LJQANCHMSA-N 0 0 340.423 3.157 50 0 EGAARN Cc1noc(C)c1NC(=O)N(C)[C@H](C)c1ccc2c(c1)OCCO2 ZINC000299797715 258101848 /nfs/dbraw/zinc/10/18/48/258101848.db2.gz CAXDQFHYFUFQKD-LLVKDONJSA-N 0 0 331.372 3.288 50 0 EGAARN CCn1ccnc1CN(C)C(=O)[C@]1(c2ccc(OC)cc2)CC1(C)C ZINC000299797907 258101853 /nfs/dbraw/zinc/10/18/53/258101853.db2.gz PPKXKBGPPKDVMQ-HXUWFJFHSA-N 0 0 341.455 3.238 50 0 EGAARN COc1ccc2c(c1)nc(C)cc2C(=O)N1CCOC[C@@H]1CC(C)C ZINC000299800461 258103427 /nfs/dbraw/zinc/10/34/27/258103427.db2.gz WTFYVKAVJPSGQJ-HNNXBMFYSA-N 0 0 342.439 3.439 50 0 EGAARN CCn1nc(C)c(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)c1C ZINC000299801575 258105005 /nfs/dbraw/zinc/10/50/05/258105005.db2.gz YXCKMVNFYJGBOY-CQSZACIVSA-N 0 0 345.468 3.316 50 0 EGAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2O)cc1 ZINC000000455725 258048336 /nfs/dbraw/zinc/04/83/36/258048336.db2.gz DEBUBFKWDZYJKR-UHFFFAOYSA-N 0 0 330.409 3.226 50 0 EGAARN O=C(COC(=O)c1cc(F)cc(F)c1)Nc1ccccc1Cl ZINC000028829175 258057956 /nfs/dbraw/zinc/05/79/56/258057956.db2.gz REHOCILZUQQFMF-UHFFFAOYSA-N 0 0 325.698 3.414 50 0 EGAARN CC[C@H](NC(=O)Cn1nc(C)c(C)c1C)c1ccc(OC)c(OC)c1 ZINC000215986951 258072070 /nfs/dbraw/zinc/07/20/70/258072070.db2.gz WLMKLVKSZDKNNJ-INIZCTEOSA-N 0 0 345.443 3.093 50 0 EGAARN CC(C)c1nc(CCNC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)cs1 ZINC000299759521 258076418 /nfs/dbraw/zinc/07/64/18/258076418.db2.gz TZRNMVMEIJJWAX-UHFFFAOYSA-N 0 0 348.472 3.032 50 0 EGAARN CCC1=NO[C@H](CNC(=O)c2cccc(-c3nccn3C(C)C)c2)C1 ZINC000299759873 258077521 /nfs/dbraw/zinc/07/75/21/258077521.db2.gz OJBSPPOVPSSCST-KRWDZBQOSA-N 0 0 340.427 3.416 50 0 EGAARN COc1ccc(C(=O)CCC(=O)NC[C@H](C)c2nc(C)cs2)cc1 ZINC000185992820 533276783 /nfs/dbraw/zinc/27/67/83/533276783.db2.gz YGIPFTTYOMOUFH-LBPRGKRZSA-N 0 0 346.452 3.343 50 0 EGAARN COc1ccccc1N1CCN(C(=O)NCc2ccccc2C)CC1 ZINC000055046726 132193220 /nfs/dbraw/zinc/19/32/20/132193220.db2.gz HFJOXORROODNDM-UHFFFAOYSA-N 0 0 339.439 3.035 50 0 EGAARN Fc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000055526901 132195113 /nfs/dbraw/zinc/19/51/13/132195113.db2.gz VRAMCTBRKOOHCI-UHFFFAOYSA-N 0 0 338.386 3.198 50 0 EGAARN CCc1cccc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)c1 ZINC000044841782 132415178 /nfs/dbraw/zinc/41/51/78/132415178.db2.gz KIRXONYGBJWYGM-UHFFFAOYSA-N 0 0 344.798 3.267 50 0 EGAARN Fc1ccc(N2CCN(C(=S)NCCc3ccccc3)CC2)cc1 ZINC000000300318 135648551 /nfs/dbraw/zinc/64/85/51/135648551.db2.gz SLZYCDAGTQXTEP-UHFFFAOYSA-N 0 0 343.471 3.065 50 0 EGAARN Cc1c(C(=O)CN2C(=O)COc3ccccc32)c2ccccc2n1C ZINC000004973756 135668576 /nfs/dbraw/zinc/66/85/76/135668576.db2.gz YIJPJUANZTUGQY-UHFFFAOYSA-N 0 0 334.375 3.095 50 0 EGAARN CCc1ccc(NC(=S)N2CCN(c3cccc(O)c3)CC2)cc1 ZINC000006394686 135674509 /nfs/dbraw/zinc/67/45/09/135674509.db2.gz NUPZFTZEEHXWMK-UHFFFAOYSA-N 0 0 341.480 3.474 50 0 EGAARN O=C(CSc1ccccn1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000011495147 135690081 /nfs/dbraw/zinc/69/00/81/135690081.db2.gz JNVCCIMUCXGAMA-UHFFFAOYSA-N 0 0 347.871 3.176 50 0 EGAARN Cc1ccc(-c2nc(S(N)(=O)=O)c(-c3ccccc3)s2)cc1 ZINC000094992801 292032176 /nfs/dbraw/zinc/03/21/76/292032176.db2.gz JWCYDFLQRJANQM-UHFFFAOYSA-N 0 0 330.434 3.433 50 0 EGAARN O=c1sc2ccccc2c(=O)n1Cc1ccccc1C(F)(F)F ZINC000005679505 296535190 /nfs/dbraw/zinc/53/51/90/296535190.db2.gz JNDFZDVHXFNXAO-UHFFFAOYSA-N 0 0 337.322 3.490 50 0 EGAARN CCOC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000005709524 285778608 /nfs/dbraw/zinc/77/86/08/285778608.db2.gz XRGLWFXOQPGVJC-MRXNPFEDSA-N 0 0 339.391 3.356 50 0 EGAARN Cc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000000135063 292155497 /nfs/dbraw/zinc/15/54/97/292155497.db2.gz LQNAMKBCLZNDFU-QGZVFWFLSA-N 0 0 336.391 3.254 50 0 EGAARN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)ccc1O ZINC000004525594 286248298 /nfs/dbraw/zinc/24/82/98/286248298.db2.gz DLBYJCYBQKKNNI-JDNHERCYSA-N 0 0 344.436 3.441 50 0 EGAARN COc1ccc(C)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F ZINC000000341120 452565687 /nfs/dbraw/zinc/56/56/87/452565687.db2.gz LYJLHHFFJXGDPD-UHFFFAOYSA-N 0 0 345.239 3.188 50 0 EGAARN COc1ccc(CC(=O)NC2C3CC4CC(C3)CC2C4)cc1OC ZINC000000442856 275116574 /nfs/dbraw/zinc/11/65/74/275116574.db2.gz WBXQIEPWLQOKJK-UHFFFAOYSA-N 0 0 329.440 3.187 50 0 EGAARN CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000002998081 275488460 /nfs/dbraw/zinc/48/84/60/275488460.db2.gz MGNFAIUKHHLHKZ-UHFFFAOYSA-N 0 0 339.800 3.375 50 0 EGAARN CCCc1cc(=O)oc2c(C)c3c(cc12)CN(C[C@@H]1CCCO1)CO3 ZINC000057122077 276055105 /nfs/dbraw/zinc/05/51/05/276055105.db2.gz FAVDVICEFLROQD-INIZCTEOSA-N 0 0 343.423 3.385 50 0 EGAARN CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1c(Cl)cccc1Cl ZINC000001403343 276274099 /nfs/dbraw/zinc/27/40/99/276274099.db2.gz HAXZJCNGCDTXME-SECBINFHSA-N 0 0 328.195 3.434 50 0 EGAARN CC(C)(C)OC(=O)N[C@H]1CCc2nc(Br)sc2C1 ZINC000095830915 277204613 /nfs/dbraw/zinc/20/46/13/277204613.db2.gz IYHSCTMUOVWIJY-ZETCQYMHSA-N 0 0 333.251 3.288 50 0 EGAARN COc1c2c(c(OC)c3c1C[C@@H](C)N=C3c1ccccc1)OCO2 ZINC000066091671 277365578 /nfs/dbraw/zinc/36/55/78/277365578.db2.gz SIKNQMZJFBAFPK-LLVKDONJSA-N 0 0 325.364 3.215 50 0 EGAARN CC(C)CCn1cnc2c3cc4c(nc3oc2c1=O)CC(C)(C)OC4 ZINC000002160737 277368770 /nfs/dbraw/zinc/36/87/70/277368770.db2.gz JFQQERSZOBJEIN-UHFFFAOYSA-N 0 0 341.411 3.435 50 0 biogenic EGAARN CS(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000008961361 278114917 /nfs/dbraw/zinc/11/49/17/278114917.db2.gz BZIJWRDNSRBYAH-UHFFFAOYSA-N 0 0 338.772 3.070 50 0 EGAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 ZINC000101572855 278225709 /nfs/dbraw/zinc/22/57/09/278225709.db2.gz VRYIVWIJBOQOBG-WTGUMLROSA-N 0 0 330.424 3.028 50 0 EGAARN CC1(C)Cc2cc([C@@H]3CC(=O)NCc4nc5ccccn5c43)ccc2O1 ZINC000065493235 278395847 /nfs/dbraw/zinc/39/58/47/278395847.db2.gz NLQOEHUJQLVEPB-HNNXBMFYSA-N 0 0 347.418 3.200 50 0 EGAARN C[C@@H]1CC(C)(C)N2C(=O)C(=C3SC(=O)NC3=O)c3cccc1c32 ZINC000009318500 278443910 /nfs/dbraw/zinc/44/39/10/278443910.db2.gz FMYGVUPLTUXIEH-KXVPCBDSSA-N 0 0 328.393 3.013 50 0 EGAARN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)s1 ZINC000082096190 279073789 /nfs/dbraw/zinc/07/37/89/279073789.db2.gz LIHSLOJWDKVDSI-OAHLLOKOSA-N 0 0 332.473 3.350 50 0 EGAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cnn(C)c1)SCC(=O)N2 ZINC000044920891 279183089 /nfs/dbraw/zinc/18/30/89/279183089.db2.gz VLLMQYHFOUVNQV-INIZCTEOSA-N 0 0 339.424 3.338 50 0 EGAARN Cc1sc2[nH]c(=O)n(-c3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000067334624 279285172 /nfs/dbraw/zinc/28/51/72/279285172.db2.gz IIMPMYOYWCGXFC-UHFFFAOYSA-N 0 0 340.326 3.376 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(F)cc1 ZINC000002463198 279530181 /nfs/dbraw/zinc/53/01/81/279530181.db2.gz WSMUNHHLLGOZAN-HZMBPMFUSA-N 0 0 348.399 3.037 50 0 EGAARN CCOC(=O)c1ccc2c(c1)c1c3n2CCN(C(C)=O)[C@H]3CCC1 ZINC000001428794 279636044 /nfs/dbraw/zinc/63/60/44/279636044.db2.gz CSKZFWORWNOTKL-KRWDZBQOSA-N 0 0 326.396 3.058 50 0 EGAARN CCOc1ccccc1/C=C1\NC(=S)N(C2CCCCC2)C1=O ZINC000015011299 279975443 /nfs/dbraw/zinc/97/54/43/279975443.db2.gz HCXAPOSSFXFLLZ-QINSGFPZSA-N 0 0 330.453 3.476 50 0 EGAARN O=C(Nc1ccc(Br)cn1)c1ccc2nccnc2c1 ZINC000000352131 280014713 /nfs/dbraw/zinc/01/47/13/280014713.db2.gz YPFGCIHLVWILJM-UHFFFAOYSA-N 0 0 329.157 3.040 50 0 EGAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC000005032497 280082636 /nfs/dbraw/zinc/08/26/36/280082636.db2.gz OPZWVVOPMLRGAB-BMIGLBTASA-N 0 0 326.377 3.463 50 0 EGAARN O=C(c1ccc(F)cc1)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000000280680 280185806 /nfs/dbraw/zinc/18/58/06/280185806.db2.gz MVENELXYOKKQIK-SMDDNHRTSA-N 0 0 330.281 3.079 50 0 EGAARN CC[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]2C(=O)Oc3ccccc3[C@@H]12 ZINC000003906371 280225189 /nfs/dbraw/zinc/22/51/89/280225189.db2.gz GSAPSINRJIMTMI-QGTPRVQTSA-N 0 0 349.386 3.213 50 0 EGAARN Cc1cc(NC(=O)[C@H](SC2=NCCS2)c2ccccc2)no1 ZINC000009194109 280616339 /nfs/dbraw/zinc/61/63/39/280616339.db2.gz FZDLKTUMWHZZLB-CYBMUJFWSA-N 0 0 333.438 3.499 50 0 EGAARN CC1CC[NH+]([C@@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1 ZINC000022609520 281835622 /nfs/dbraw/zinc/83/56/22/281835622.db2.gz BEPYXCIZEYFPEF-CQSZACIVSA-N 0 0 346.431 3.457 50 0 EGAARN C[C@@]1(O)CCN(C(=O)c2cncc(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000072165698 289212270 /nfs/dbraw/zinc/21/22/70/289212270.db2.gz LTFMHCJMLSPINU-QFBILLFUSA-N 0 0 344.842 3.191 50 0 EGAARN Cc1nc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)sc1C ZINC000020727167 293333388 /nfs/dbraw/zinc/33/33/88/293333388.db2.gz JXLWSSLBJAZABO-GOEBONIOSA-N 0 0 343.452 3.308 50 0 EGAARN COc1cc(OC)cc([C@H]2SCC(=O)Nc3c2c(C)nn3C)c1 ZINC000049546816 295013270 /nfs/dbraw/zinc/01/32/70/295013270.db2.gz ZFKZHRILFMYTMG-OAHLLOKOSA-N 0 0 333.413 3.170 50 0 EGAARN COc1ccccc1N1C(=O)c2ccccc2N[C@]1(C)C(OC)OC ZINC000096191889 295368058 /nfs/dbraw/zinc/36/80/58/295368058.db2.gz DKTSXKRWYNLJIL-IBGZPJMESA-N 0 0 342.395 3.103 50 0 EGAARN COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(C)=O)c2ncnn21 ZINC000004816885 295395479 /nfs/dbraw/zinc/39/54/79/295395479.db2.gz UMYZOSPTMFXBQQ-MSOLQXFVSA-N 0 0 348.406 3.374 50 0 EGAARN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccoc1 ZINC000002532426 295590308 /nfs/dbraw/zinc/59/03/08/295590308.db2.gz ZBUMJPSTTUAHNC-UHFFFAOYSA-N 0 0 325.187 3.169 50 0 EGAARN O=C(c1ccccc1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 ZINC000005070638 304561716 /nfs/dbraw/zinc/56/17/16/304561716.db2.gz AXLLZUBZMROVMT-MRXNPFEDSA-N 0 0 347.823 3.298 50 0 EGAARN COC(=O)c1c(NC(=S)N2CCCC2)sc2c1CC[C@H](C)C2 ZINC000008298527 453187589 /nfs/dbraw/zinc/18/75/89/453187589.db2.gz AYXPADOEFHDMJL-JTQLQIEISA-N 0 0 338.498 3.452 50 0 EGAARN Cc1cc(C)c(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)c(C)c1 ZINC000005749557 301191551 /nfs/dbraw/zinc/19/15/51/301191551.db2.gz VQMBNGDZUAWOLW-UHFFFAOYSA-N 0 0 346.374 3.133 50 0 EGAARN Cc1ccccc1C1N2CC3(C(C)C)CN1CC(C(C)C)(C2)C3=O ZINC000019323833 302094828 /nfs/dbraw/zinc/09/48/28/302094828.db2.gz AGQPNRKHZOQCKU-UHFFFAOYSA-N 0 0 326.484 3.492 50 0 biogenic EGAARN CCCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)no1 ZINC000294588830 308235234 /nfs/dbraw/zinc/23/52/34/308235234.db2.gz PGJIZKMCKJLHEM-UHFFFAOYSA-N 0 0 341.411 3.424 50 0 EGAARN CN=[S@](=O)(C[C@]1(O)CCC[C@@]12CCCS2)c1ccccc1 ZINC000033804245 453917201 /nfs/dbraw/zinc/91/72/01/453917201.db2.gz ATHPEIKIHCNXPS-ZOCZFRKYSA-N 0 0 325.499 3.324 50 0 EGAARN COC(=O)Cc1cc(Br)c(F)c(Br)c1 ZINC000263623301 456178858 /nfs/dbraw/zinc/17/88/58/456178858.db2.gz GIJQURNDRBLYCT-UHFFFAOYSA-N 0 0 325.959 3.066 50 0 EGAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(Oc2cccnc2)C1 ZINC000238879199 455259797 /nfs/dbraw/zinc/25/97/97/455259797.db2.gz OVCNNVSKOFYMEU-UHFFFAOYSA-N 0 0 337.301 3.396 50 0 EGAARN Cc1nnc(N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)s1 ZINC000244852669 455277258 /nfs/dbraw/zinc/27/72/58/455277258.db2.gz UWPFSSBUVCITPW-BJJXKVORSA-N 0 0 326.425 3.319 50 0 EGAARN O=C(CC1CCCC1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244796007 455277067 /nfs/dbraw/zinc/27/70/67/455277067.db2.gz RRDBDWZQCRBPKL-FUHIMQAGSA-N 0 0 329.440 3.130 50 0 EGAARN CCCn1cc(CN2CCN(c3ccccc3OC)C[C@H]2C)c(C)n1 ZINC000244758112 455277211 /nfs/dbraw/zinc/27/72/11/455277211.db2.gz OSQSTEOEWKIFTD-MRXNPFEDSA-N 0 0 342.487 3.321 50 0 EGAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000000064257 452495350 /nfs/dbraw/zinc/49/53/50/452495350.db2.gz AUMKOSRYVPNTCL-UHFFFAOYSA-N 0 0 335.363 3.301 50 0 EGAARN CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000000068393 452498671 /nfs/dbraw/zinc/49/86/71/452498671.db2.gz MTVLOCRKEGREHG-NSHDSACASA-N 0 0 348.708 3.073 50 0 EGAARN CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C)cc1 ZINC000000078061 452499956 /nfs/dbraw/zinc/49/99/56/452499956.db2.gz WMGMHESHCJQFRQ-UHFFFAOYSA-N 0 0 338.432 3.471 50 0 EGAARN Cc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@@]2(O)C(C)(C)C)c1 ZINC000000081559 452502133 /nfs/dbraw/zinc/50/21/33/452502133.db2.gz HSARCFHHKATPAR-OAHLLOKOSA-N 0 0 328.334 3.494 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O ZINC000000092690 452503865 /nfs/dbraw/zinc/50/38/65/452503865.db2.gz DGZFALDJXOVFDK-HNNXBMFYSA-N 0 0 329.787 3.410 50 0 EGAARN CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(F)cc1 ZINC000000096567 452506299 /nfs/dbraw/zinc/50/62/99/452506299.db2.gz FOQKYRVPJNXAAV-UHFFFAOYSA-N 0 0 329.331 3.385 50 0 EGAARN Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000000096214 452506702 /nfs/dbraw/zinc/50/67/02/452506702.db2.gz FKEVWTIKQCYNQV-UHFFFAOYSA-N 0 0 327.858 3.488 50 0 EGAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000000114824 452510576 /nfs/dbraw/zinc/51/05/76/452510576.db2.gz YKXBOOOAQHRJFE-UHFFFAOYSA-N 0 0 331.437 3.414 50 0 EGAARN CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccccc1Cl ZINC000000119105 452511834 /nfs/dbraw/zinc/51/18/34/452511834.db2.gz HEBNHJJBRPFMST-GTNSWQLSSA-N 0 0 337.803 3.169 50 0 biogenic EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)cc1 ZINC000000116213 452511878 /nfs/dbraw/zinc/51/18/78/452511878.db2.gz MNNPDOLZLNLHFC-UHFFFAOYSA-N 0 0 329.352 3.051 50 0 EGAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 ZINC000000119079 452513161 /nfs/dbraw/zinc/51/31/61/452513161.db2.gz KUZBAZKNZWUAAE-UHFFFAOYSA-N 0 0 336.347 3.289 50 0 EGAARN Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c(N)c1C(N)=S ZINC000000126780 452514459 /nfs/dbraw/zinc/51/44/59/452514459.db2.gz AWTORLGROZKUBJ-UHFFFAOYSA-N 0 0 334.754 3.069 50 0 EGAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000121649 452514600 /nfs/dbraw/zinc/51/46/00/452514600.db2.gz WLDXMRQKWLUXCI-UHFFFAOYSA-N 0 0 342.782 3.439 50 0 EGAARN C[C@H]1CCCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000000144948 452518790 /nfs/dbraw/zinc/51/87/90/452518790.db2.gz DDZOEJAWWVWOCA-JTQLQIEISA-N 0 0 339.222 3.396 50 0 EGAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000000145429 452518950 /nfs/dbraw/zinc/51/89/50/452518950.db2.gz WURPCRXVUOCPOU-INIZCTEOSA-N 0 0 333.771 3.436 50 0 EGAARN COc1cccc2c1c(NC(=O)Nc1ccccc1OC)nn2C ZINC000000147646 452520672 /nfs/dbraw/zinc/52/06/72/452520672.db2.gz JTBMRDKIPGSWTG-UHFFFAOYSA-N 0 0 326.356 3.235 50 0 in-vitro EGAARN Cc1ccc(CSCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000152031 452522797 /nfs/dbraw/zinc/52/27/97/452522797.db2.gz PUEZSBZMJXXHBG-UHFFFAOYSA-N 0 0 329.421 3.273 50 0 EGAARN COc1ccc2nc(NC(=O)CSc3ccccn3)sc2c1 ZINC000000181659 452529073 /nfs/dbraw/zinc/52/90/73/452529073.db2.gz PAKPWRPRKQMGTL-UHFFFAOYSA-N 0 0 331.422 3.431 50 0 EGAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1C ZINC000000184325 452530698 /nfs/dbraw/zinc/53/06/98/452530698.db2.gz VIXGNXDXMPJIGM-AWEZNQCLSA-N 0 0 326.371 3.434 50 0 EGAARN CSc1ccccc1NC(=O)c1c(Br)cnn1C ZINC000000183456 452531805 /nfs/dbraw/zinc/53/18/05/452531805.db2.gz SVRSFVIKPMGKOW-UHFFFAOYSA-N 0 0 326.219 3.157 50 0 EGAARN CCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 ZINC000000201011 452533169 /nfs/dbraw/zinc/53/31/69/452533169.db2.gz KUAZFIFUMIJFSH-UHFFFAOYSA-N 0 0 337.423 3.427 50 0 EGAARN Cc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1 ZINC000000209506 452536706 /nfs/dbraw/zinc/53/67/06/452536706.db2.gz FZTMTYVVXSINMO-UHFFFAOYSA-N 0 0 334.217 3.051 50 0 EGAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](SC2=NCCS2)C1=O ZINC000000244373 452545175 /nfs/dbraw/zinc/54/51/75/452545175.db2.gz RSGHLODETMKMQB-LLVKDONJSA-N 0 0 340.857 3.116 50 0 EGAARN O=C(Cc1cccs1)NC1(C(=O)NC2CCCC2)CCCCC1 ZINC000000246587 452545494 /nfs/dbraw/zinc/54/54/94/452545494.db2.gz XCLHBNFLISRIDL-UHFFFAOYSA-N 0 0 334.485 3.169 50 0 EGAARN COc1cccc(NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)c1 ZINC000000248339 452545851 /nfs/dbraw/zinc/54/58/51/452545851.db2.gz SMJAZXJUZQTUEO-QGZVFWFLSA-N 0 0 332.444 3.355 50 0 EGAARN COc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1 ZINC000000258726 452547728 /nfs/dbraw/zinc/54/77/28/452547728.db2.gz UZWXKMGHZUZECH-UHFFFAOYSA-N 0 0 333.434 3.321 50 0 EGAARN COC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 ZINC000000266410 452549649 /nfs/dbraw/zinc/54/96/49/452549649.db2.gz XPTMGZAEBMBAFU-UHFFFAOYSA-N 0 0 334.375 3.303 50 0 EGAARN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 ZINC000000284364 452554586 /nfs/dbraw/zinc/55/45/86/452554586.db2.gz PNERYTLJRTTWHV-NYYWCZLTSA-N 0 0 330.384 3.361 50 0 EGAARN CC1=NC(=S)N[C@@H](c2cccc(Cl)c2)C1C(=O)OC(C)(C)C ZINC000000301717 452557549 /nfs/dbraw/zinc/55/75/49/452557549.db2.gz CZLPYRLIBVYYRF-ZDUSSCGKSA-N 0 0 338.860 3.475 50 0 EGAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000000306386 452558417 /nfs/dbraw/zinc/55/84/17/452558417.db2.gz GQOWLAIZUKOJJK-UHFFFAOYSA-N 0 0 337.710 3.471 50 0 EGAARN CC1=C(C(=O)OC(C)C)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 ZINC000000305304 452559366 /nfs/dbraw/zinc/55/93/66/452559366.db2.gz WFFOYHYRJICDIY-ZDUSSCGKSA-N 0 0 326.755 3.059 50 0 EGAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000000309545 452561385 /nfs/dbraw/zinc/56/13/85/452561385.db2.gz NZXQVGCBZUDRPC-UHFFFAOYSA-N 0 0 336.435 3.164 50 0 EGAARN CCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1 ZINC000000319688 452565134 /nfs/dbraw/zinc/56/51/34/452565134.db2.gz BFJPLUCJZZKHSR-UHFFFAOYSA-N 0 0 327.336 3.271 50 0 EGAARN CCc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000340432 452566334 /nfs/dbraw/zinc/56/63/34/452566334.db2.gz YGHUSTVQSVCZIP-UHFFFAOYSA-N 0 0 326.348 3.060 50 0 EGAARN COc1ccc(C(=O)n2cnc3ccccc32)cc1Br ZINC000000358988 452570360 /nfs/dbraw/zinc/57/03/60/452570360.db2.gz NWFWURKPHHRFRS-UHFFFAOYSA-N 0 0 331.169 3.496 50 0 EGAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000368947 452574790 /nfs/dbraw/zinc/57/47/90/452574790.db2.gz CJPPUPFZCOTGSL-UHFFFAOYSA-N 0 0 333.365 3.133 50 0 EGAARN COC(=O)c1cn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc12 ZINC000000382388 452576666 /nfs/dbraw/zinc/57/66/66/452576666.db2.gz VCMRAMQSDCSEQO-KBPBESRZSA-N 0 0 328.412 3.217 50 0 EGAARN Cc1ccc(C)c(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1 ZINC000000389226 452578116 /nfs/dbraw/zinc/57/81/16/452578116.db2.gz ZMJINBUAODEYSA-UHFFFAOYSA-N 0 0 341.798 3.305 50 0 EGAARN COc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1OC ZINC000000425631 452586667 /nfs/dbraw/zinc/58/66/67/452586667.db2.gz JBWACLDXMJFSBR-UHFFFAOYSA-N 0 0 338.363 3.289 50 0 EGAARN COc1cccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)c1OC ZINC000000445712 452592778 /nfs/dbraw/zinc/59/27/78/452592778.db2.gz MNNKYDDTGCYBPP-UVTDQMKNSA-N 0 0 327.311 3.187 50 0 EGAARN O=C(NC(=S)Nc1ccc(F)cc1)c1cc2ccccc2oc1=O ZINC000000446042 452593558 /nfs/dbraw/zinc/59/35/58/452593558.db2.gz UMYDUTWQQCOGPA-UHFFFAOYSA-N 0 0 342.351 3.059 50 0 EGAARN O=C(Nc1cc(N2C(=O)C=CC2=O)ccc1Cl)c1cccs1 ZINC000000451804 452594817 /nfs/dbraw/zinc/59/48/17/452594817.db2.gz JWMYQKQOVLEHAN-UHFFFAOYSA-N 0 0 332.768 3.083 50 0 EGAARN CCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F ZINC000000468603 452600543 /nfs/dbraw/zinc/60/05/43/452600543.db2.gz REBSXDVONHFKLE-UHFFFAOYSA-N 0 0 330.132 3.196 50 0 EGAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccs1 ZINC000000464294 452600573 /nfs/dbraw/zinc/60/05/73/452600573.db2.gz QSBKHLSLBKPGBU-UHFFFAOYSA-N 0 0 331.466 3.475 50 0 EGAARN Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000000464268 452600930 /nfs/dbraw/zinc/60/09/30/452600930.db2.gz GWUGAPSHMCUFEK-AWEZNQCLSA-N 0 0 327.380 3.116 50 0 EGAARN COc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1OC ZINC000000474430 452604563 /nfs/dbraw/zinc/60/45/63/452604563.db2.gz UOUKVBWEWVOUKN-UHFFFAOYSA-N 0 0 342.395 3.451 50 0 EGAARN COc1ccc2oc(C(=O)c3cc(OC)ccc3OC)c(N)c2c1 ZINC000000487804 452605348 /nfs/dbraw/zinc/60/53/48/452605348.db2.gz GADXHHQKNYWDEJ-UHFFFAOYSA-N 0 0 327.336 3.272 50 0 biogenic EGAARN CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC1CCCC1 ZINC000000484756 452605402 /nfs/dbraw/zinc/60/54/02/452605402.db2.gz SKBSBTBKOYUFAY-KRWDZBQOSA-N 0 0 344.411 3.199 50 0 EGAARN CCc1ccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000488450 452606782 /nfs/dbraw/zinc/60/67/82/452606782.db2.gz AKQGKWMKAVYJJR-SFHVURJKSA-N 0 0 333.391 3.398 50 0 EGAARN CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1OCC ZINC000000503975 452607609 /nfs/dbraw/zinc/60/76/09/452607609.db2.gz HKEKHCSYLVJENK-UHFFFAOYSA-N 0 0 329.396 3.423 50 0 EGAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 ZINC000000526982 452614900 /nfs/dbraw/zinc/61/49/00/452614900.db2.gz GILVEFNXQIAXLF-UHFFFAOYSA-N 0 0 342.399 3.474 50 0 EGAARN Cc1ccsc1/C=c1\sc2nc(-c3ccccc3C)nn2c1=O ZINC000000530420 452616486 /nfs/dbraw/zinc/61/64/86/452616486.db2.gz HNEQZELEYKNRHX-ZROIWOOFSA-N 0 0 339.445 3.044 50 0 EGAARN Cc1cccc(-c2nc3c4cnn(Cc5ccccc5)c4ncn3n2)c1 ZINC000000537776 452617989 /nfs/dbraw/zinc/61/79/89/452617989.db2.gz WOPUNKXJYFGIMY-UHFFFAOYSA-N 0 0 340.390 3.498 50 0 EGAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)o1 ZINC000000539588 452618455 /nfs/dbraw/zinc/61/84/55/452618455.db2.gz BLLSHJXAHJLOQE-OAHLLOKOSA-N 0 0 340.162 3.308 50 0 EGAARN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1cccs1 ZINC000000558326 452622688 /nfs/dbraw/zinc/62/26/88/452622688.db2.gz JYMVXSKFWHDTDX-UHFFFAOYSA-N 0 0 327.394 3.167 50 0 EGAARN O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccc(F)cc1 ZINC000000558288 452622727 /nfs/dbraw/zinc/62/27/27/452622727.db2.gz CLPVVDAIZNUDBJ-UHFFFAOYSA-N 0 0 339.355 3.244 50 0 EGAARN COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 ZINC000000572290 452625764 /nfs/dbraw/zinc/62/57/64/452625764.db2.gz ICUQZQUXYKRDJC-AWEZNQCLSA-N 0 0 327.380 3.496 50 0 EGAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000000581546 452628511 /nfs/dbraw/zinc/62/85/11/452628511.db2.gz VBUWELDCAQXFOQ-UHFFFAOYSA-N 0 0 327.789 3.158 50 0 EGAARN Cc1ccc(S(=O)(=O)C[C@H]2CSc3nc4ccccc4n32)cc1 ZINC000000610064 452630340 /nfs/dbraw/zinc/63/03/40/452630340.db2.gz WRNRNAJPWBNTPX-CYBMUJFWSA-N 0 0 344.461 3.465 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)NCc2ccccc2OC)cc1 ZINC000000609921 452630520 /nfs/dbraw/zinc/63/05/20/452630520.db2.gz SGXAREKZFCEBHU-UHFFFAOYSA-N 0 0 328.368 3.194 50 0 EGAARN COc1ccc(F)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 ZINC000000619472 452633524 /nfs/dbraw/zinc/63/35/24/452633524.db2.gz MZVNELCJXADXGN-UHFFFAOYSA-N 0 0 334.372 3.038 50 0 EGAARN COc1ccccc1Nc1nc2nonc2nc1N1CCC(C)CC1 ZINC000001023757 452642404 /nfs/dbraw/zinc/64/24/04/452642404.db2.gz BVIPWOJDVXCPCN-UHFFFAOYSA-N 0 0 340.387 3.001 50 0 EGAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)s1 ZINC000001054076 452643727 /nfs/dbraw/zinc/64/37/27/452643727.db2.gz YSBVRHFXVWQFHS-UHFFFAOYSA-N 0 0 340.198 3.169 50 0 EGAARN COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc3ccccc3c1)C(=O)N2 ZINC000001065702 452644810 /nfs/dbraw/zinc/64/48/10/452644810.db2.gz SDHRYEAEXPPOMK-NRFANRHFSA-N 0 0 347.370 3.261 50 0 EGAARN COc1cc(Cc2ccc(NC(C)=O)c(OC)c2)ccc1NC(C)=O ZINC000001233422 452648779 /nfs/dbraw/zinc/64/87/79/452648779.db2.gz OSMVCTJKDXIHNN-UHFFFAOYSA-N 0 0 342.395 3.211 50 0 EGAARN CCc1nnc(NC(=O)CCC(=O)Nc2cccc(C)c2C)s1 ZINC000001271851 452651056 /nfs/dbraw/zinc/65/10/56/452651056.db2.gz PQFJQVREPZTYMG-UHFFFAOYSA-N 0 0 332.429 3.075 50 0 EGAARN CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@@]2(CC)C(=O)c1ccc(C)cc1 ZINC000001323025 452653736 /nfs/dbraw/zinc/65/37/36/452653736.db2.gz PWCDZPYPVWZCLP-BEVDRBHNSA-N 0 0 344.407 3.089 50 0 biogenic EGAARN CCCC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 ZINC000001381603 452656771 /nfs/dbraw/zinc/65/67/71/452656771.db2.gz WRVACIUYPMBOQL-UHFFFAOYSA-N 0 0 336.442 3.008 50 0 EGAARN O=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000001393815 452658486 /nfs/dbraw/zinc/65/84/86/452658486.db2.gz 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452840235 /nfs/dbraw/zinc/84/02/35/452840235.db2.gz JVFMWLAOUVLVJY-UHFFFAOYSA-N 0 0 336.782 3.284 50 0 EGAARN Cc1ccccc1C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005250617 452851504 /nfs/dbraw/zinc/85/15/04/452851504.db2.gz ZCUTYGBWQFBTAH-UHFFFAOYSA-N 0 0 344.436 3.177 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1F ZINC000005247311 452852158 /nfs/dbraw/zinc/85/21/58/452852158.db2.gz CSLDRKXNJNJDAZ-HZMBPMFUSA-N 0 0 348.399 3.037 50 0 EGAARN COc1cccc([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)c1 ZINC000005268777 452853036 /nfs/dbraw/zinc/85/30/36/452853036.db2.gz MGJWEHBLSFZHBY-QGZVFWFLSA-N 0 0 349.386 3.335 50 0 EGAARN CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)n1cnc2ccccc2c1=O ZINC000005268573 452853211 /nfs/dbraw/zinc/85/32/11/452853211.db2.gz FOTVILAJHJSHJI-GOSISDBHSA-N 0 0 349.390 3.189 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)c1cc2cccnc2n(C)c1=O ZINC000005303684 452856452 /nfs/dbraw/zinc/85/64/52/452856452.db2.gz UFCNLFHKYQOLOJ-UHFFFAOYSA-N 0 0 327.771 3.148 50 0 EGAARN CCCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000005323604 452858074 /nfs/dbraw/zinc/85/80/74/452858074.db2.gz IHLDGGTUOXHYBM-KRWDZBQOSA-N 0 0 333.771 3.150 50 0 EGAARN NC(=S)N(c1ccc(Br)cc1)C1=NCCCCC1 ZINC000005338093 452860751 /nfs/dbraw/zinc/86/07/51/452860751.db2.gz JJBSUCIEXGITCT-UHFFFAOYSA-N 0 0 326.263 3.472 50 0 EGAARN Cc1ccc(C(=O)C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005380490 452864902 /nfs/dbraw/zinc/86/49/02/452864902.db2.gz VUQLDQIJSJKUPP-MRXNPFEDSA-N 0 0 331.799 3.464 50 0 EGAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cccc(Cl)c1 ZINC000005388296 452865118 /nfs/dbraw/zinc/86/51/18/452865118.db2.gz DVXOARUKTAWLAS-UHFFFAOYSA-N 0 0 339.782 3.202 50 0 EGAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Br)o1 ZINC000005440517 452873876 /nfs/dbraw/zinc/87/38/76/452873876.db2.gz KDFVEIMVCAVNBW-UHFFFAOYSA-N 0 0 349.184 3.421 50 0 EGAARN CCn1cnc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 ZINC000005451700 452875394 /nfs/dbraw/zinc/87/53/94/452875394.db2.gz OGZVEJVZISRAPX-UHFFFAOYSA-N 0 0 349.387 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O=C(c1c[nH]c2ccccc12)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000009049419 453241938 /nfs/dbraw/zinc/24/19/38/453241938.db2.gz DMMOOCYUURSNEX-UHFFFAOYSA-N 0 0 339.439 3.033 50 0 EGAARN Nc1n[nH]c(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)n1 ZINC000009166458 453245868 /nfs/dbraw/zinc/24/58/68/453245868.db2.gz YZJKFJKYEFAOOY-SECBINFHSA-N 0 0 343.239 3.023 50 0 EGAARN O=C(COc1ccccc1)Nc1nnc(CCc2ccccc2)s1 ZINC000009236699 453246368 /nfs/dbraw/zinc/24/63/68/453246368.db2.gz TUUFGLRPUXRYTB-UHFFFAOYSA-N 0 0 339.420 3.341 50 0 EGAARN COC(=O)CSc1nc(Cc2ccccc2)nc2c1SCCC2 ZINC000009183986 453247110 /nfs/dbraw/zinc/24/71/10/453247110.db2.gz PMXUOLBMNNZWIP-UHFFFAOYSA-N 0 0 346.477 3.371 50 0 EGAARN c1ccc2[nH]c(CCc3nc(-c4ccc5c(c4)OCO5)no3)nc2c1 ZINC000009421253 453252202 /nfs/dbraw/zinc/25/22/02/453252202.db2.gz FQKUNCFXIGCBGY-UHFFFAOYSA-N 0 0 334.335 3.127 50 0 EGAARN O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc2ncccc21 ZINC000009419996 453253685 /nfs/dbraw/zinc/25/36/85/453253685.db2.gz CDYLFNPHGWGHSS-UHFFFAOYSA-N 0 0 345.362 3.251 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/nfs/dbraw/zinc/22/05/92/202220592.db2.gz HHAMZLQSGVAXGK-UHFFFAOYSA-N 0 0 327.771 3.076 50 0 EGAARN COc1ccc(OC)c(NC(=O)Cc2cnc(-n3cccc3)s2)c1 ZINC000032089590 202220695 /nfs/dbraw/zinc/22/06/95/202220695.db2.gz HYTQTKAMFQOMSK-UHFFFAOYSA-N 0 0 343.408 3.132 50 0 EGAARN Cc1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1 ZINC000032094134 202221794 /nfs/dbraw/zinc/22/17/94/202221794.db2.gz RLIMYTOVSZMCKP-LBPRGKRZSA-N 0 0 349.843 3.092 50 0 EGAARN O=c1c2ccccc2nnn1Cc1csc(Nc2ccccc2)n1 ZINC000032801639 202235398 /nfs/dbraw/zinc/23/53/98/202235398.db2.gz SNDBKODYGQVCLO-UHFFFAOYSA-N 0 0 335.392 3.040 50 0 EGAARN COc1ccc(CNC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 ZINC000033089075 202249023 /nfs/dbraw/zinc/24/90/23/202249023.db2.gz SHFFGEDCAQLMLJ-CYBMUJFWSA-N 0 0 348.402 3.057 50 0 EGAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(C)n2)c1 ZINC000033327473 202257945 /nfs/dbraw/zinc/25/79/45/202257945.db2.gz OSSVGNSYCRWAQF-UHFFFAOYSA-N 0 0 339.351 3.071 50 0 EGAARN CCCN1c2ccccc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000012653249 283356686 /nfs/dbraw/zinc/35/66/86/283356686.db2.gz ZMBUDBHBKOBXHV-NRFANRHFSA-N 0 0 331.419 3.314 50 0 biogenic EGAARN CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000035903533 202310558 /nfs/dbraw/zinc/31/05/58/202310558.db2.gz IOCKJFWSBACSJT-GOSISDBHSA-N 0 0 340.423 3.050 50 0 EGAARN O=C(Nc1ccc2c(c1)OCCO2)c1snnc1-c1ccccc1 ZINC000036352956 202322467 /nfs/dbraw/zinc/32/24/67/202322467.db2.gz LQWPXPYGGPQKEB-UHFFFAOYSA-N 0 0 339.376 3.229 50 0 EGAARN O=C(Cn1ccc2ccc(Br)cc21)Nc1ccccn1 ZINC000036352639 202322842 /nfs/dbraw/zinc/32/28/42/202322842.db2.gz QXIUXZXRMMUVFT-UHFFFAOYSA-N 0 0 330.185 3.438 50 0 EGAARN O=C(CCCCCn1cnc2ccccc2c1=O)NCc1ccccc1 ZINC000036358499 202323216 /nfs/dbraw/zinc/32/32/16/202323216.db2.gz IYJYLKKOHQWTPC-UHFFFAOYSA-N 0 0 349.434 3.273 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)NC[C@H](O)Cc1ccccc1 ZINC000070639471 202337061 /nfs/dbraw/zinc/33/70/61/202337061.db2.gz MWPHOOHEKADWJR-CQSZACIVSA-N 0 0 334.803 3.074 50 0 EGAARN COc1ccc(-c2nnsc2C(=O)NCc2ccccc2F)cc1 ZINC000036365062 202324323 /nfs/dbraw/zinc/32/43/23/202324323.db2.gz MNWDZOSUPHTQPY-UHFFFAOYSA-N 0 0 343.383 3.283 50 0 EGAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1cc(C)no1 ZINC000036614283 202326402 /nfs/dbraw/zinc/32/64/02/202326402.db2.gz ISWOWALSZKJNFC-UHFFFAOYSA-N 0 0 325.372 3.267 50 0 EGAARN CCOc1ccccc1NC(=O)NC[C@]1(O)CCc2ccccc21 ZINC000075155791 202376104 /nfs/dbraw/zinc/37/61/04/202376104.db2.gz FWPLSZSFGGCCTA-LJQANCHMSA-N 0 0 326.396 3.041 50 0 EGAARN O=S(=O)(c1c(F)cccc1F)N(CCc1cccs1)C1CC1 ZINC000075154815 202376452 /nfs/dbraw/zinc/37/64/52/202376452.db2.gz DGGGPXWADZWTAF-UHFFFAOYSA-N 0 0 343.420 3.422 50 0 EGAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1Cl ZINC000075156958 202376814 /nfs/dbraw/zinc/37/68/14/202376814.db2.gz LRXCXZDCUOCZLQ-UHFFFAOYSA-N 0 0 346.814 3.215 50 0 EGAARN CN(C)c1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000075161930 202377226 /nfs/dbraw/zinc/37/72/26/202377226.db2.gz LVTCMZIFANAXPB-UHFFFAOYSA-N 0 0 325.294 3.205 50 0 EGAARN O=C(NCc1cnn2ccccc12)c1csc(-c2ccccc2)n1 ZINC000075162656 202377239 /nfs/dbraw/zinc/37/72/39/202377239.db2.gz MAXYWPTUBCRSNY-UHFFFAOYSA-N 0 0 334.404 3.388 50 0 EGAARN O=C(/C=C/c1ccccc1Cl)Nc1cc(N2CCCC2)ncn1 ZINC000075166318 202378100 /nfs/dbraw/zinc/37/81/00/202378100.db2.gz QDUPEZQYTAJXQR-BQYQJAHWSA-N 0 0 328.803 3.382 50 0 EGAARN Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1cccs1 ZINC000077114846 202383692 /nfs/dbraw/zinc/38/36/92/202383692.db2.gz NSRKAESWHXQYEW-GFCCVEGCSA-N 0 0 345.873 3.112 50 0 EGAARN CC(=O)N(c1nc(C)c(C(=O)Nc2ccccc2O)s1)C(C)C ZINC000040287368 202431635 /nfs/dbraw/zinc/43/16/35/202431635.db2.gz PETJHKWUHHBAAU-UHFFFAOYSA-N 0 0 333.413 3.171 50 0 EGAARN COc1ccc2c(ccn2CCNC(=O)c2sc(C)nc2C)c1 ZINC000040819813 202465217 /nfs/dbraw/zinc/46/52/17/202465217.db2.gz HEIHCUDEAHMJHV-UHFFFAOYSA-N 0 0 329.425 3.153 50 0 EGAARN O=C(CCn1nc(-c2ccccc2)ccc1=O)NC1CCCCCC1 ZINC000041253519 202478709 /nfs/dbraw/zinc/47/87/09/202478709.db2.gz LQXPKNZZXHQLJS-UHFFFAOYSA-N 0 0 339.439 3.139 50 0 EGAARN Cn1ccnc1[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C1CC1 ZINC000072433540 216228748 /nfs/dbraw/zinc/22/87/48/216228748.db2.gz YXCXGJZOLHEFBH-KRWDZBQOSA-N 0 0 341.455 3.005 50 0 EGAARN CC(=O)c1cc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cs1 ZINC000072431236 216223848 /nfs/dbraw/zinc/22/38/48/216223848.db2.gz JZWSBTNCZXKOIE-UHFFFAOYSA-N 0 0 341.392 3.273 50 0 EGAARN COC(=O)C[C@H](c1ccsc1)c1oc2ccccc2c(=O)c1O ZINC000253401320 201186534 /nfs/dbraw/zinc/18/65/34/201186534.db2.gz FNJTYLJVYHKHTN-GFCCVEGCSA-N 0 0 330.361 3.255 50 0 biogenic EGAARN COc1ccc(-c2n[nH]cc2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000005817910 201361743 /nfs/dbraw/zinc/36/17/43/201361743.db2.gz BHJOIANNBUJCQE-UHFFFAOYSA-N 0 0 326.352 3.475 50 0 EGAARN C[C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCCC4)C[C@H](C)O1 ZINC000013777357 201366572 /nfs/dbraw/zinc/36/65/72/201366572.db2.gz AMGBGHBXOUJYSW-OKILXGFUSA-N 0 0 327.424 3.281 50 0 EGAARN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000000485540 201357939 /nfs/dbraw/zinc/35/79/39/201357939.db2.gz RJDCCYHBCJMNNZ-MRXNPFEDSA-N 0 0 339.782 3.489 50 0 biogenic EGAARN c1csc(-c2noc(CN3CC[C@H](CNc4ccccn4)C3)n2)c1 ZINC000097200578 201383122 /nfs/dbraw/zinc/38/31/22/201383122.db2.gz AFSHASZUNSYCAC-CYBMUJFWSA-N 0 0 341.440 3.127 50 0 EGAARN COc1ccc(-c2nc(-c3cn(-c4ccccc4)nn3)no2)cc1OC ZINC000049410122 202621674 /nfs/dbraw/zinc/62/16/74/202621674.db2.gz MHWZOIYPAXBUSF-UHFFFAOYSA-N 0 0 349.350 3.002 50 0 EGAARN Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)cc2)cc1C ZINC000051356280 202638639 /nfs/dbraw/zinc/63/86/39/202638639.db2.gz KQNSJGQOGZPYEN-UHFFFAOYSA-N 0 0 331.799 3.430 50 0 EGAARN CCOc1cccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)c1O ZINC000055175328 202682606 /nfs/dbraw/zinc/68/26/06/202682606.db2.gz UBQOJFIEEPCHSC-JYRVWZFOSA-N 0 0 341.363 3.301 50 0 EGAARN Cc1ccc(N2C(=O)c3ccc(C(=O)NC(C)C)cc3C2=O)cc1C ZINC000000049177 201426453 /nfs/dbraw/zinc/42/64/53/201426453.db2.gz UAINDONRYFBDFB-UHFFFAOYSA-N 0 0 336.391 3.242 50 0 EGAARN CCc1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000000080013 201430728 /nfs/dbraw/zinc/43/07/28/201430728.db2.gz XRLTYTPYKGJBTD-AWEZNQCLSA-N 0 0 346.452 3.042 50 0 EGAARN COc1ccccc1OCc1ccc(C(=O)NCc2cccnc2)o1 ZINC000000115495 201435885 /nfs/dbraw/zinc/43/58/85/201435885.db2.gz IJBWUTKRNXJJTF-UHFFFAOYSA-N 0 0 338.363 3.192 50 0 EGAARN CCOC(=O)c1c2c(sc1NC(=O)c1cnccn1)C[C@@H](C)CC2 ZINC000000138258 201439259 /nfs/dbraw/zinc/43/92/59/201439259.db2.gz YZKBQXSQFGPHKK-JTQLQIEISA-N 0 0 345.424 3.092 50 0 EGAARN CC(=O)Nc1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cn1 ZINC000000153573 201441752 /nfs/dbraw/zinc/44/17/52/201441752.db2.gz HYWDWLQQVADKGV-UHFFFAOYSA-N 0 0 336.351 3.256 50 0 EGAARN Cc1ccc(COc2ccccc2CN2CCN(C)C(=O)[C@H]2C)cc1 ZINC000215715604 241139902 /nfs/dbraw/zinc/13/99/02/241139902.db2.gz QYPHNKKAXCRTLK-QGZVFWFLSA-N 0 0 338.451 3.237 50 0 EGAARN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)CSc1ccncc1 ZINC000215707009 241139953 /nfs/dbraw/zinc/13/99/53/241139953.db2.gz DSYDPDOCLGLAIM-UHFFFAOYSA-N 0 0 338.436 3.222 50 0 EGAARN CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000215769736 241142838 /nfs/dbraw/zinc/14/28/38/241142838.db2.gz VMDOZPCPJQEXDN-KRWDZBQOSA-N 0 0 349.390 3.089 50 0 EGAARN O=C([O-])c1ccccc1C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000216487770 241195000 /nfs/dbraw/zinc/19/50/00/241195000.db2.gz ONSGDSMECKZOAT-HXUWFJFHSA-N 0 0 339.435 3.200 50 0 EGAARN Cc1cccc2[nH]c(CCNC(=O)[C@@H](C)n3cnc4ccccc43)nc21 ZINC000216508445 241199861 /nfs/dbraw/zinc/19/98/61/241199861.db2.gz GCZAOFOSSIZRKV-CQSZACIVSA-N 0 0 347.422 3.141 50 0 EGAARN CCOC(=O)c1sc(N)c(C(=O)Nc2ccccc2OC)c1C ZINC000000350625 201462479 /nfs/dbraw/zinc/46/24/79/201462479.db2.gz SSCYJYNIONGSSN-UHFFFAOYSA-N 0 0 334.397 3.076 50 0 EGAARN CCOC(=O)c1cc(NC(=O)COc2c(C)cccc2C)ccc1O ZINC000000365601 201464626 /nfs/dbraw/zinc/46/46/26/201464626.db2.gz UDEMCIOEMGMNHC-UHFFFAOYSA-N 0 0 343.379 3.203 50 0 EGAARN Cn1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000395807 201467358 /nfs/dbraw/zinc/46/73/58/201467358.db2.gz AFEUPTZFVKOXMS-UHFFFAOYSA-N 0 0 340.408 3.338 50 0 EGAARN O=C(CCc1nc(-c2ccco2)no1)N1CCC[C@H]1c1nccs1 ZINC000218862361 241349198 /nfs/dbraw/zinc/34/91/98/241349198.db2.gz LISSTLLEDFCQDL-NSHDSACASA-N 0 0 344.396 3.082 50 0 EGAARN Cc1nc(NC(=O)c2cccnc2Cl)ccc1Br ZINC000000557851 201486668 /nfs/dbraw/zinc/48/66/68/201486668.db2.gz YITFLVLONRQCQV-UHFFFAOYSA-N 0 0 326.581 3.453 50 0 EGAARN Cc1ccccc1N1CC[C@H](CNC(=O)CSc2ccncc2)C1 ZINC000219003419 241359229 /nfs/dbraw/zinc/35/92/29/241359229.db2.gz FMFVCSJUVNRRDO-MRXNPFEDSA-N 0 0 341.480 3.125 50 0 EGAARN CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1-c1cccc(C)c1 ZINC000218997596 241359626 /nfs/dbraw/zinc/35/96/26/241359626.db2.gz RSYPTUYZYKVBAF-RTBURBONSA-N 0 0 325.408 3.196 50 0 EGAARN CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000000617540 201490901 /nfs/dbraw/zinc/49/09/01/201490901.db2.gz LFDZVIBSCFKXSA-VIFPVBQESA-N 0 0 331.319 3.353 50 0 EGAARN O=C(Cc1cc(F)ccc1F)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000219224076 241369463 /nfs/dbraw/zinc/36/94/63/241369463.db2.gz WPRFCFKSTOFMJQ-GOSISDBHSA-N 0 0 341.361 3.262 50 0 EGAARN CC1(C)Cc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2C(=O)C1 ZINC000000464369 201476029 /nfs/dbraw/zinc/47/60/29/201476029.db2.gz GVWYKGQIRYYDKV-UHFFFAOYSA-N 0 0 344.392 3.279 50 0 EGAARN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000000479100 201479558 /nfs/dbraw/zinc/47/95/58/201479558.db2.gz JRYOZRJSZAVVFP-NTUHNPAUSA-N 0 0 344.754 3.152 50 0 EGAARN O=C(Cc1cccc(F)c1F)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000218834851 241347249 /nfs/dbraw/zinc/34/72/49/241347249.db2.gz GNPBYAPOWTVMDZ-AWEZNQCLSA-N 0 0 344.361 3.024 50 0 EGAARN Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3c(F)cccc3Cl)C2)n1 ZINC000220225665 241432984 /nfs/dbraw/zinc/43/29/84/241432984.db2.gz CYQZKLDTTTYOFG-CYBMUJFWSA-N 0 0 335.810 3.309 50 0 EGAARN Cc1c2ccccc2oc1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225422003 241854186 /nfs/dbraw/zinc/85/41/86/241854186.db2.gz PUXFYVAZWVCCOF-CABCVRRESA-N 0 0 348.402 3.162 50 0 biogenic EGAARN COc1cccc2c1ccn2CC(=O)Nc1nnc(C2CC2)s1 ZINC000061717688 202789504 /nfs/dbraw/zinc/78/95/04/202789504.db2.gz 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/nfs/dbraw/zinc/89/49/28/452894928.db2.gz HHWSWMVLIMLNAF-UHFFFAOYSA-N 0 0 326.219 3.105 50 0 EGAARN CC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC)cc1 ZINC000005686607 452895517 /nfs/dbraw/zinc/89/55/17/452895517.db2.gz XYMADIDIUUJTAM-BONVTDFDSA-N 0 0 347.440 3.343 50 0 EGAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000005819325 452903490 /nfs/dbraw/zinc/90/34/90/452903490.db2.gz FELOMABFBSRQMV-UHFFFAOYSA-N 0 0 341.750 3.221 50 0 EGAARN CCc1nnc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)s1 ZINC000005892933 452908417 /nfs/dbraw/zinc/90/84/17/452908417.db2.gz MUUCHSQNPWBEEI-UHFFFAOYSA-N 0 0 345.453 3.033 50 0 EGAARN CCCCCOc1ccc(/C=C/C(=O)NCc2cnn(C)c2)cc1 ZINC000006398534 452941221 /nfs/dbraw/zinc/94/12/21/452941221.db2.gz WMHWUKQRJWNQEE-DHZHZOJOSA-N 0 0 327.428 3.319 50 0 EGAARN COC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000006624060 452960454 /nfs/dbraw/zinc/96/04/54/452960454.db2.gz CTOFLACLODXZBA-INIZCTEOSA-N 0 0 339.395 3.034 50 0 biogenic EGAARN Cc1c(C)n(Cc2cccnc2)c2ncnc(NCc3cccnc3)c12 ZINC000006672467 452967109 /nfs/dbraw/zinc/96/71/09/452967109.db2.gz MNOFWCZQOQWVQO-UHFFFAOYSA-N 0 0 344.422 3.499 50 0 EGAARN CC(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000006701077 452972327 /nfs/dbraw/zinc/97/23/27/452972327.db2.gz OMCIHRKRRVYDRW-UHFFFAOYSA-N 0 0 326.381 3.031 50 0 EGAARN Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)N1CCCC1 ZINC000006701216 452972456 /nfs/dbraw/zinc/97/24/56/452972456.db2.gz PMCMPEUBIPISNL-UHFFFAOYSA-N 0 0 344.436 3.032 50 0 EGAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)NC)c1 ZINC000006702248 452972593 /nfs/dbraw/zinc/97/25/93/452972593.db2.gz JLSOHCOJOJGNLY-UHFFFAOYSA-N 0 0 346.452 3.026 50 0 EGAARN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(F)cc1 ZINC000006702382 452973683 /nfs/dbraw/zinc/97/36/83/452973683.db2.gz BKQLEOVFFHECRG-UHFFFAOYSA-N 0 0 331.734 3.459 50 0 EGAARN COc1cccc(-c2noc([C@@H](C)N3C(=O)c4ccccc4C3=O)n2)c1 ZINC000006746300 452982358 /nfs/dbraw/zinc/98/23/58/452982358.db2.gz PIRONJNIOBZQOG-LLVKDONJSA-N 0 0 349.346 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/nfs/dbraw/zinc/22/23/97/453222397.db2.gz XGZGPMCYCCQYSC-LBPRGKRZSA-N 0 0 339.395 3.387 50 0 EGAARN CCCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Cl ZINC000008714695 453226261 /nfs/dbraw/zinc/22/62/61/453226261.db2.gz IRFXVMNJMLZAFY-UHFFFAOYSA-N 0 0 328.821 3.179 50 0 EGAARN CCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Br ZINC000008714905 453226501 /nfs/dbraw/zinc/22/65/01/453226501.db2.gz IVLQZGQEGHTABS-UHFFFAOYSA-N 0 0 348.262 3.069 50 0 EGAARN CCCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000008767985 453233112 /nfs/dbraw/zinc/23/31/12/453233112.db2.gz TVFKJMBOLBISLY-AWEZNQCLSA-N 0 0 349.452 3.086 50 0 EGAARN CC(C)S(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000008961219 453236813 /nfs/dbraw/zinc/23/68/13/453236813.db2.gz UOYDVOONUIWHCF-UHFFFAOYSA-N 0 0 332.381 3.195 50 0 EGAARN CCCN1c2ccccc2[C@H](Cc2nc3ccccc3c(=O)[nH]2)C1=O ZINC000008914325 453237600 /nfs/dbraw/zinc/23/76/00/453237600.db2.gz ABLJMTROEVOXIF-HNNXBMFYSA-N 0 0 333.391 3.006 50 0 EGAARN Cc1ccc([C@@H](O)c2cc3c(cc2NC(=O)C2CC2)OCCO3)cc1 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Fc1ccc(-n2nnnc2CSc2nc3ccccc3o2)cc1 ZINC000009134383 453244364 /nfs/dbraw/zinc/24/43/64/453244364.db2.gz ILBRUCSZFOYIKY-UHFFFAOYSA-N 0 0 327.344 3.235 50 0 EGAARN Fc1ccc(F)c(C2N=NC(=S)N2c2ccc3c(c2)OCCO3)c1 ZINC000009341221 453250685 /nfs/dbraw/zinc/25/06/85/453250685.db2.gz OQOQTPLIPPXNDF-UHFFFAOYSA-N 0 0 347.346 3.272 50 0 EGAARN COc1ccccc1C(=O)Nc1nnc(-c2ccccc2OC)s1 ZINC000009411338 453253968 /nfs/dbraw/zinc/25/39/68/453253968.db2.gz CWYZQTGNJUCWHZ-UHFFFAOYSA-N 0 0 341.392 3.475 50 0 EGAARN O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1ccc(Cl)cc1 ZINC000009659520 453257301 /nfs/dbraw/zinc/25/73/01/453257301.db2.gz CRNFKXAJPQUSIR-UHFFFAOYSA-N 0 0 335.816 3.326 50 0 EGAARN COc1ccc2[nH]c(SCC(=O)N(C)c3ccccc3)nc2c1 ZINC000010006590 453269364 /nfs/dbraw/zinc/26/93/64/453269364.db2.gz ZLXFKHLIDSSJOW-UHFFFAOYSA-N 0 0 327.409 3.327 50 0 EGAARN COCCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 ZINC000010155153 453277826 /nfs/dbraw/zinc/27/78/26/453277826.db2.gz RXHFXZTUQJGSJN-OAHLLOKOSA-N 0 0 329.396 3.426 50 0 EGAARN O=C(COc1ccccc1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000010296627 453284204 /nfs/dbraw/zinc/28/42/04/453284204.db2.gz JCBHWWDVSLDWKH-SFHVURJKSA-N 0 0 327.380 3.262 50 0 EGAARN COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000010386853 453290001 /nfs/dbraw/zinc/29/00/01/453290001.db2.gz HHYGXRPRVKRRQK-UHFFFAOYSA-N 0 0 342.351 3.438 50 0 EGAARN Cc1cc(C)cc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 ZINC000010370354 453290107 /nfs/dbraw/zinc/29/01/07/453290107.db2.gz WTTUGZGXLVOXBO-UHFFFAOYSA-N 0 0 332.425 3.236 50 0 EGAARN O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1ccc(F)cc1 ZINC000010687373 453298952 /nfs/dbraw/zinc/29/89/52/453298952.db2.gz LBUPZFYSGDXVTQ-UHFFFAOYSA-N 0 0 335.400 3.159 50 0 EGAARN COc1ccc(CCC2N=NC(=S)N2c2ccccc2)cc1OC ZINC000011692585 453330411 /nfs/dbraw/zinc/33/04/11/453330411.db2.gz XHZKWQHRQKIFLG-UHFFFAOYSA-N 0 0 341.436 3.358 50 0 EGAARN COc1cccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1 ZINC000011690285 453331403 /nfs/dbraw/zinc/33/14/03/453331403.db2.gz NMBNUJUOABRZLC-UHFFFAOYSA-N 0 0 336.395 3.453 50 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BYUUGICTPQLCLF-MRXNPFEDSA-N 0 0 331.379 3.069 50 0 EGAARN CC(C)c1noc([C@H]2CCCCN2C(=O)c2cc(C3CC3)n[nH]2)n1 ZINC000067673861 453955067 /nfs/dbraw/zinc/95/50/67/453955067.db2.gz CXDDWLGKELZIBA-CQSZACIVSA-N 0 0 329.404 3.161 50 0 EGAARN CC(C)(C)c1cc(CN2CCN(Cc3cccc(F)c3)CC2)[nH]n1 ZINC000055036196 453957525 /nfs/dbraw/zinc/95/75/25/453957525.db2.gz WMEMKRLDEATUMK-UHFFFAOYSA-N 0 0 330.451 3.164 50 0 EGAARN C[C@@H](C(=O)NC1CCCC1)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067695725 453958116 /nfs/dbraw/zinc/95/81/16/453958116.db2.gz GTPSFMVAHLRMEN-ZDUSSCGKSA-N 0 0 344.434 3.095 50 0 EGAARN CC(C)Cc1nc(Cc2nc3ccccc3[nH]2)n(-c2ccccn2)n1 ZINC000067713635 453960266 /nfs/dbraw/zinc/96/02/66/453960266.db2.gz NAJRUQWELPSNDP-UHFFFAOYSA-N 0 0 332.411 3.328 50 0 EGAARN CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1 ZINC000055100307 453962101 /nfs/dbraw/zinc/96/21/01/453962101.db2.gz VPVCALYPQOBSRI-UHFFFAOYSA-N 0 0 346.818 3.171 50 0 EGAARN c1cc(CN2CCOCC2)cc(-c2ccc(NC3CCCC3)nn2)c1 ZINC000067758494 453963426 /nfs/dbraw/zinc/96/34/26/453963426.db2.gz NOAGSSLNKLBQOH-UHFFFAOYSA-N 0 0 338.455 3.330 50 0 EGAARN CCOC(=O)c1cnn(Cc2nc(-c3ccccc3C)oc2C)c1 ZINC000067756503 453963489 /nfs/dbraw/zinc/96/34/89/453963489.db2.gz HTRLPGIIZFLTKV-UHFFFAOYSA-N 0 0 325.368 3.380 50 0 EGAARN CC[C@H](CO)N(Cc1ccsc1)C(=O)c1cccc(F)c1OC ZINC000055108472 453963696 /nfs/dbraw/zinc/96/36/96/453963696.db2.gz PHFHVKJJJVOZAA-CYBMUJFWSA-N 0 0 337.416 3.309 50 0 EGAARN O=C(c1ccc[nH]1)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000067774759 453965376 /nfs/dbraw/zinc/96/53/76/453965376.db2.gz WALKKVODTKDFKX-UHFFFAOYSA-N 0 0 332.831 3.126 50 0 EGAARN CCCNc1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 ZINC000067790119 453966380 /nfs/dbraw/zinc/96/63/80/453966380.db2.gz XPQSPGBDJZBCHH-INIZCTEOSA-N 0 0 331.460 3.371 50 0 EGAARN CCc1nnc(SCC(=O)N(C)[C@H](CC)c2ccc(OC)cc2)[nH]1 ZINC000055211820 453969790 /nfs/dbraw/zinc/96/97/90/453969790.db2.gz YMBKASPUPLDHDR-CQSZACIVSA-N 0 0 348.472 3.078 50 0 EGAARN NC(=O)c1ccc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)nc1 ZINC000067847870 453972041 /nfs/dbraw/zinc/97/20/41/453972041.db2.gz DPTTYUOHGHIMOJ-UHFFFAOYSA-N 0 0 349.793 3.361 50 0 EGAARN CC(C)c1cc(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)[nH]n1 ZINC000067868467 453975161 /nfs/dbraw/zinc/97/51/61/453975161.db2.gz GFLPWVBSSKPMTP-UHFFFAOYSA-N 0 0 349.438 3.496 50 0 EGAARN CCc1nc(C)c(CN2CCN(c3nc4cc(C)ccc4o3)CC2)[nH]1 ZINC000067880560 453976042 /nfs/dbraw/zinc/97/60/42/453976042.db2.gz MVZGRDUHILACMP-UHFFFAOYSA-N 0 0 339.443 3.052 50 0 EGAARN COc1ccc(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)c(Cl)c1OC ZINC000055386773 453979812 /nfs/dbraw/zinc/97/98/12/453979812.db2.gz DPEXCEDOLHLNOU-UHFFFAOYSA-N 0 0 344.758 3.070 50 0 EGAARN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1ccc2nccn2c1 ZINC000055402785 453981216 /nfs/dbraw/zinc/98/12/16/453981216.db2.gz PPHACFPUJDBCHP-UHFFFAOYSA-N 0 0 349.369 3.136 50 0 EGAARN Cc1ccc(N2CCC[C@](CO)(CCCc3ccccc3)C2)nn1 ZINC000067935351 453981978 /nfs/dbraw/zinc/98/19/78/453981978.db2.gz GHPHIWHDCXZVFA-HXUWFJFHSA-N 0 0 325.456 3.387 50 0 EGAARN CC[C@@H](C(=O)NC(C)(C)C)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067947861 453983128 /nfs/dbraw/zinc/98/31/28/453983128.db2.gz MJVJIIURHYEZJN-KRWDZBQOSA-N 0 0 340.471 3.128 50 0 EGAARN CCOC(=O)[C@@H]1CCCCN1Cc1cccc(Br)c1 ZINC000055543600 453993350 /nfs/dbraw/zinc/99/33/50/453993350.db2.gz LAQBSUPSWDTOFH-AWEZNQCLSA-N 0 0 326.234 3.367 50 0 EGAARN CCOC(=O)c1ccccc1C(=O)c1cncc(Br)c1 ZINC000043210322 454048334 /nfs/dbraw/zinc/04/83/34/454048334.db2.gz VKPFYNSPTBMRPC-UHFFFAOYSA-N 0 0 334.169 3.252 50 0 EGAARN CCOC(=O)c1cccc(C(=O)c2cccc(C3OCCO3)c2)c1 ZINC000043212530 454048546 /nfs/dbraw/zinc/04/85/46/454048546.db2.gz PEZPMOLZSRKHRL-UHFFFAOYSA-N 0 0 326.348 3.140 50 0 EGAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000068803596 454055221 /nfs/dbraw/zinc/05/52/21/454055221.db2.gz YJLGXZGOHYNOMZ-AWEZNQCLSA-N 0 0 332.787 3.014 50 0 EGAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)on2)c(OC)c1 ZINC000043330456 454056459 /nfs/dbraw/zinc/05/64/59/454056459.db2.gz SLWSUOUMAOHZLK-HNNXBMFYSA-N 0 0 331.372 3.369 50 0 EGAARN CCc1ccccc1NC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000056543415 454066420 /nfs/dbraw/zinc/06/64/20/454066420.db2.gz RTMGIJNUVMHUQM-UHFFFAOYSA-N 0 0 341.411 3.222 50 0 EGAARN Cc1noc2nc(C)nc(N3CCN(c4ccccc4C)C[C@H]3C)c12 ZINC000077303036 454087622 /nfs/dbraw/zinc/08/76/22/454087622.db2.gz BMVQFLMXPWTDPC-CYBMUJFWSA-N 0 0 337.427 3.258 50 0 EGAARN O=C1C[C@@H](c2noc(-c3cccs3)n2)CN1Cc1cccs1 ZINC000044213964 454092373 /nfs/dbraw/zinc/09/23/73/454092373.db2.gz UVYMKXDRWFXAIQ-SNVBAGLBSA-N 0 0 331.422 3.376 50 0 EGAARN COc1ccc(C(=O)Cn2c(SC)nc3ccccc3c2=O)cc1 ZINC000057486397 454132741 /nfs/dbraw/zinc/13/27/41/454132741.db2.gz LTYGDMSZAAKEIF-UHFFFAOYSA-N 0 0 340.404 3.010 50 0 EGAARN CCc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2N)cc1 ZINC000057509181 454134048 /nfs/dbraw/zinc/13/40/48/454134048.db2.gz LGDXYOKIRCTXTJ-UHFFFAOYSA-N 0 0 335.411 3.281 50 0 EGAARN O=C(NCCCc1ccccc1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000057511405 454134056 /nfs/dbraw/zinc/13/40/56/454134056.db2.gz DDAQPHSHYWROJR-UHFFFAOYSA-N 0 0 340.814 3.283 50 0 EGAARN O=S(=O)(Nc1ccccc1)c1ccc(Br)c(F)c1 ZINC000095067951 454193836 /nfs/dbraw/zinc/19/38/36/454193836.db2.gz UIFWQRJOTJTDAZ-UHFFFAOYSA-N 0 0 330.178 3.389 50 0 EGAARN Nc1cc(NCCc2ccccn2)nc(SCc2ccccc2)n1 ZINC000095358024 454196821 /nfs/dbraw/zinc/19/68/21/454196821.db2.gz ROKHEQSNJGNKCA-UHFFFAOYSA-N 0 0 337.452 3.401 50 0 EGAARN CCc1ccc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N(C)C)nc1 ZINC000095360278 454197346 /nfs/dbraw/zinc/19/73/46/454197346.db2.gz LNMKPPXKYSIDCL-GOSISDBHSA-N 0 0 329.419 3.044 50 0 EGAARN O=C(NCCCCCO)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095362114 454197371 /nfs/dbraw/zinc/19/73/71/454197371.db2.gz HHHYNPUWWNLTBT-UHFFFAOYSA-N 0 0 341.386 3.033 50 0 EGAARN O=C(c1ccc([O-])c(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095356688 454197464 /nfs/dbraw/zinc/19/74/64/454197464.db2.gz JBVGEPPVVUWANX-GDBMZVCRSA-N 0 0 348.874 3.382 50 0 EGAARN CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)C1CCCC1)CC2 ZINC000095362769 454197485 /nfs/dbraw/zinc/19/74/85/454197485.db2.gz KIBKAUORIKASOJ-SFHVURJKSA-N 0 0 340.467 3.184 50 0 EGAARN CC(=O)c1cnc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nc1C ZINC000095364367 454197674 /nfs/dbraw/zinc/19/76/74/454197674.db2.gz WCZIHQNZIMCBEF-HNNXBMFYSA-N 0 0 349.438 3.323 50 0 EGAARN Cc1nc(C)n(CCCNC(=O)c2cc(Cl)c(C)c(Cl)c2)n1 ZINC000095375115 454198566 /nfs/dbraw/zinc/19/85/66/454198566.db2.gz HIOVIMKMDJESRA-UHFFFAOYSA-N 0 0 341.242 3.330 50 0 EGAARN Cc1cnc(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)cn1 ZINC000095367087 454199282 /nfs/dbraw/zinc/19/92/82/454199282.db2.gz VDIKRHHSRIKVFV-UHFFFAOYSA-N 0 0 343.390 3.030 50 0 EGAARN CCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1ccon1 ZINC000095388090 454199643 /nfs/dbraw/zinc/19/96/43/454199643.db2.gz BLOCFJABUWPNCE-HNNXBMFYSA-N 0 0 326.400 3.196 50 0 EGAARN CCNc1nc(C)c(C(=O)NC[C@H]2CCOc3ccccc3C2)s1 ZINC000095384051 454199863 /nfs/dbraw/zinc/19/98/63/454199863.db2.gz GDONEUDXHZHNJU-ZDUSSCGKSA-N 0 0 345.468 3.255 50 0 EGAARN O=C(NC[C@@H]1CCOc2ccccc2C1)c1cc(=O)c2ccccc2o1 ZINC000095386904 454200004 /nfs/dbraw/zinc/20/00/04/454200004.db2.gz ZNPKFYORFWLAQC-CQSZACIVSA-N 0 0 349.386 3.164 50 0 EGAARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccccn2)C1 ZINC000095387880 454200782 /nfs/dbraw/zinc/20/07/82/454200782.db2.gz VCQJMMKMKODPOM-QGZVFWFLSA-N 0 0 340.471 3.417 50 0 EGAARN COCc1cc(N2CCC[C@H](C(=O)c3sccc3C)C2)ncn1 ZINC000095382075 454200787 /nfs/dbraw/zinc/20/07/87/454200787.db2.gz GBTIOSBBVFIXSI-ZDUSSCGKSA-N 0 0 331.441 3.092 50 0 EGAARN C[C@H](C(=O)Nc1cnn(C)c1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000095477579 454219673 /nfs/dbraw/zinc/21/96/73/454219673.db2.gz CAZQMHYTEPLIIV-XJKSGUPXSA-N 0 0 325.412 3.074 50 0 EGAARN Cc1nn(C)c2nc(N3CCC(CCn4ccnc4C)CC3)sc12 ZINC000095496720 454221130 /nfs/dbraw/zinc/22/11/30/454221130.db2.gz AXKPGXGADFKIKG-UHFFFAOYSA-N 0 0 344.488 3.150 50 0 EGAARN C[C@H](c1ccccc1)n1nccc1NC(=O)NCC1(O)CCCCC1 ZINC000095498215 454221593 /nfs/dbraw/zinc/22/15/93/454221593.db2.gz KNXAHEZMAPDAAB-OAHLLOKOSA-N 0 0 342.443 3.309 50 0 EGAARN CN(Cc1ccc2nsnc2c1)C(=O)c1ccc2ccn(C)c2c1 ZINC000095499767 454222260 /nfs/dbraw/zinc/22/22/60/454222260.db2.gz SZUOFRTYHMHHGN-UHFFFAOYSA-N 0 0 336.420 3.455 50 0 EGAARN CC(=O)c1ccccc1C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000095502169 454222941 /nfs/dbraw/zinc/22/29/41/454222941.db2.gz LNOLUURVDLSTKB-UHFFFAOYSA-N 0 0 345.402 3.478 50 0 EGAARN CNC(=O)c1ccnc(N2CCC[C@H](COc3cccc(C)c3)C2)c1 ZINC000095505842 454223275 /nfs/dbraw/zinc/22/32/75/454223275.db2.gz XQCZGKJXVDZYJA-INIZCTEOSA-N 0 0 339.439 3.045 50 0 EGAARN COc1cccc2c1OC[C@@H](Cc1cc(N3CCCCC3)ncn1)C2 ZINC000095503721 454223495 /nfs/dbraw/zinc/22/34/95/454223495.db2.gz YUKDMOLNGPLPGK-OAHLLOKOSA-N 0 0 339.439 3.269 50 0 EGAARN CC(C)c1nccn1[C@H](C)C(=O)NCc1cc(-c2ccco2)on1 ZINC000095506620 454224327 /nfs/dbraw/zinc/22/43/27/454224327.db2.gz ACGDVBPSMGCAOR-GFCCVEGCSA-N 0 0 328.372 3.132 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2ncon2)C1 ZINC000095510798 454225175 /nfs/dbraw/zinc/22/51/75/454225175.db2.gz IQMPQTWSDUDQBC-SNVBAGLBSA-N 0 0 336.779 3.143 50 0 EGAARN Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCCCCCC1 ZINC000095524189 454227505 /nfs/dbraw/zinc/22/75/05/454227505.db2.gz HBFSBIWYSKJJGP-UHFFFAOYSA-N 0 0 339.461 3.165 50 0 EGAARN O=C(CCc1cccnc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000095526023 454227902 /nfs/dbraw/zinc/22/79/02/454227902.db2.gz LBVAGEJOVOXGDS-GOSISDBHSA-N 0 0 338.455 3.027 50 0 EGAARN COCC(=O)Nc1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1 ZINC000095531074 454228871 /nfs/dbraw/zinc/22/88/71/454228871.db2.gz BOZCEFODHIWXMO-OAHLLOKOSA-N 0 0 341.407 3.074 50 0 EGAARN Cc1nn(C)c2nc(N(C)Cc3nc4cc(C)ccc4[nH]3)sc12 ZINC000095531265 454229099 /nfs/dbraw/zinc/22/90/99/454229099.db2.gz SPZSKCDIUSRTHK-UHFFFAOYSA-N 0 0 326.429 3.159 50 0 EGAARN CCOc1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(C)cc1C ZINC000095945987 454235225 /nfs/dbraw/zinc/23/52/25/454235225.db2.gz MMZACTJYOZUMTQ-UHFFFAOYSA-N 0 0 349.452 3.189 50 0 EGAARN CNc1nc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)cs1 ZINC000095977195 454247491 /nfs/dbraw/zinc/24/74/91/454247491.db2.gz CVRBFWJQYFOYCL-HNNXBMFYSA-N 0 0 342.399 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Cc1cc(C)cc(N2CCN(Cc3cccc(F)c3F)CC2=O)c1 ZINC000072166606 216055579 /nfs/dbraw/zinc/05/55/79/216055579.db2.gz MQQBVBXUKXZUMV-UHFFFAOYSA-N 0 0 330.378 3.430 50 0 EGAARN COc1ccc(-c2noc(COc3c(C)nc(C)nc3C)n2)cc1 ZINC000072165993 216055879 /nfs/dbraw/zinc/05/58/79/216055879.db2.gz OZSHMQGCQUKRFN-UHFFFAOYSA-N 0 0 326.356 3.039 50 0 EGAARN COc1cccc(/C=C2\C(=O)OCc3cc(OC)c(OC)cc32)c1O ZINC000072242355 216081417 /nfs/dbraw/zinc/08/14/17/216081417.db2.gz OWQBCJFGZMZORI-AUWJEWJLSA-N 0 0 342.347 3.015 50 0 EGAARN COC(=O)c1ccccc1OC(=O)c1ccccc1Br ZINC000000362936 209551951 /nfs/dbraw/zinc/55/19/51/209551951.db2.gz ZYOZAPHNHFXNQX-UHFFFAOYSA-N 0 0 335.153 3.455 50 0 EGAARN COc1ccc(C)cc1NC(=O)CSCC(=O)Nc1ccccc1 ZINC000000315743 209533122 /nfs/dbraw/zinc/53/31/22/209533122.db2.gz NMYWKXVEQJGOBS-UHFFFAOYSA-N 0 0 344.436 3.314 50 0 EGAARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000000310165 209528572 /nfs/dbraw/zinc/52/85/72/209528572.db2.gz CKOADJKZCUALRX-UHFFFAOYSA-N 0 0 345.395 3.053 50 0 EGAARN 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CC(C)N1c2ccccc2/C(=C2\CC(=O)N(c3ccccc3)C2=O)C1=O ZINC000013569278 275652741 /nfs/dbraw/zinc/65/27/41/275652741.db2.gz LHABAFSOMWPJTF-MNDPQUGUSA-N 0 0 346.386 3.159 50 0 EGAARN CC1(C)Cc2c(sc3[nH]c(-c4ccccc4)nc(=NN)c23)CO1 ZINC000000495307 275871345 /nfs/dbraw/zinc/87/13/45/275871345.db2.gz MHAFWSJCNUHCEJ-UHFFFAOYSA-N 0 0 326.425 3.495 50 0 EGAARN CC(C)c1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 ZINC000016741291 276048144 /nfs/dbraw/zinc/04/81/44/276048144.db2.gz ZYUUSBNZRUVIHC-GDNBJRDFSA-N 0 0 337.404 3.082 50 0 EGAARN CCOc1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)cc1 ZINC000000239764 276372841 /nfs/dbraw/zinc/37/28/41/276372841.db2.gz WOMWPVRHZAQAEF-UHFFFAOYSA-N 0 0 328.319 3.054 50 0 EGAARN CCc1cc(=O)oc2c1cc(Cl)c1c2CN(C[C@H]2CCCO2)CO1 ZINC000057128735 276684115 /nfs/dbraw/zinc/68/41/15/276684115.db2.gz MEIKMGSHCGKXFG-GFCCVEGCSA-N 0 0 349.814 3.340 50 0 EGAARN CC(=O)Nc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2cccnc12 ZINC000067896296 277064240 /nfs/dbraw/zinc/06/42/40/277064240.db2.gz YLKIMZJFTBVVLT-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/23/16/10/454231610.db2.gz OPHJQSOZJCCVLO-RTBURBONSA-N 0 0 327.449 3.147 50 0 EGAARN COC(=O)c1nc(OC)nc2cc(-c3ccccc3OC)sc21 ZINC000095630776 454231688 /nfs/dbraw/zinc/23/16/88/454231688.db2.gz QGPSMOMEUVJXJL-UHFFFAOYSA-N 0 0 330.365 3.162 50 0 EGAARN Cc1nc([C@@H]2CN(Cc3c(Cl)ccc4cccnc43)CCO2)no1 ZINC000095958030 454238163 /nfs/dbraw/zinc/23/81/63/454238163.db2.gz DVVUVJLQEWSKND-HNNXBMFYSA-N 0 0 344.802 3.153 50 0 EGAARN O=C(c1ccncc1)n1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000059842744 454262253 /nfs/dbraw/zinc/26/22/53/454262253.db2.gz RYLCKYRAYZYBFW-UHFFFAOYSA-N 0 0 341.370 3.071 50 0 EGAARN O=C(CCC(=O)c1ccccc1)NCCCn1ccc2cccnc21 ZINC000096024569 454263297 /nfs/dbraw/zinc/26/32/97/454263297.db2.gz ZAUDXAHZPGCANT-UHFFFAOYSA-N 0 0 335.407 3.206 50 0 EGAARN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2NC(=O)OCc2ccccc2)C1 ZINC000096029458 454264848 /nfs/dbraw/zinc/26/48/48/454264848.db2.gz VACVJJYUNIUHBU-DNVCBOLYSA-N 0 0 346.427 3.312 50 0 EGAARN NC(=O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)cc1 ZINC000072159476 454272477 /nfs/dbraw/zinc/27/24/77/454272477.db2.gz JQDGKVPDNBQZPH-UHFFFAOYSA-N 0 0 343.390 3.336 50 0 EGAARN CO[C@H](CNC(=O)c1c(C)nc2ccccn21)c1ccc(C)s1 ZINC000096104692 454283926 /nfs/dbraw/zinc/28/39/26/454283926.db2.gz QQCTWJLKFVCHEU-CYBMUJFWSA-N 0 0 329.425 3.130 50 0 EGAARN CO[C@H]1CCN(c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)C1 ZINC000096122300 454288914 /nfs/dbraw/zinc/28/89/14/454288914.db2.gz QRWPCQUPAJTEQH-KRWDZBQOSA-N 0 0 348.406 3.107 50 0 EGAARN Cc1cccc2c1ccn2CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000096125592 454289473 /nfs/dbraw/zinc/28/94/73/454289473.db2.gz MGAGZQNVUAPLPR-OXJNMPFZSA-N 0 0 326.440 3.103 50 0 biogenic EGAARN Fc1ccc(-n2nc(-c3ccncc3)nc2C[C@H]2CCOC2)cc1F ZINC000096140139 454291284 /nfs/dbraw/zinc/29/12/84/454291284.db2.gz CVTAAJLQFJZSAV-GFCCVEGCSA-N 0 0 342.349 3.187 50 0 EGAARN COc1c(C)cc(NC(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1C ZINC000096138242 454291307 /nfs/dbraw/zinc/29/13/07/454291307.db2.gz UQAQWOJKYWIFRH-HNNXBMFYSA-N 0 0 347.459 3.033 50 0 EGAARN CCC(CC)n1nc(C)cc1NC(=O)NCCNc1cccnc1 ZINC000096138046 454291579 /nfs/dbraw/zinc/29/15/79/454291579.db2.gz QKYOLFCSEKXOLU-UHFFFAOYSA-N 0 0 330.436 3.181 50 0 EGAARN CC(C)n1ncc2c1NC(=O)C[C@@]21c2cc(Cl)ccc2N(C)C1=O ZINC000072405127 454294227 /nfs/dbraw/zinc/29/42/27/454294227.db2.gz IXQPZWMQEPMZGL-QGZVFWFLSA-N 0 0 344.802 3.372 50 0 EGAARN CCc1nc2cc(NC(=O)NCCCn3ccnc3)ccc2n1CC ZINC000096151113 454294166 /nfs/dbraw/zinc/29/41/66/454294166.db2.gz FMRLEOBZQOJJMQ-UHFFFAOYSA-N 0 0 340.431 3.027 50 0 EGAARN Cc1ncsc1CCC(=O)NCc1cccc(N2CCCC2)c1 ZINC000096151114 454294794 /nfs/dbraw/zinc/29/47/94/454294794.db2.gz OKVOUFNPNOGLJQ-UHFFFAOYSA-N 0 0 329.469 3.301 50 0 EGAARN CCCn1nc(-c2ccc(C)o2)nc1-c1ccc2nc(CO)[nH]c2c1 ZINC000096163818 454295983 /nfs/dbraw/zinc/29/59/83/454295983.db2.gz DNDBFEAOFXXAAR-UHFFFAOYSA-N 0 0 337.383 3.292 50 0 EGAARN CCCN(Cc1nccn1C)C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000096166104 454296689 /nfs/dbraw/zinc/29/66/89/454296689.db2.gz LZAMUZMXXDFCJD-ZDUSSCGKSA-N 0 0 328.416 3.188 50 0 EGAARN c1ccc(CO[C@@H]2CCCN(c3nccc(-c4ccccn4)n3)C2)nc1 ZINC000096180543 454298529 /nfs/dbraw/zinc/29/85/29/454298529.db2.gz ABPSVHYBGVSGAL-QGZVFWFLSA-N 0 0 347.422 3.119 50 0 EGAARN CCn1c(SCc2cc(=O)c(O)co2)nnc1-c1ccc(C)cc1 ZINC000096191915 454301155 /nfs/dbraw/zinc/30/11/55/454301155.db2.gz ZWFADDVGHMTREO-UHFFFAOYSA-N 0 0 343.408 3.225 50 0 EGAARN CC(=O)Nc1cccc2c1ccn2CC(=O)N(C)Cc1ccccc1 ZINC000096232616 454310865 /nfs/dbraw/zinc/31/08/65/454310865.db2.gz ULRAFCNHNKUSOI-UHFFFAOYSA-N 0 0 335.407 3.258 50 0 EGAARN Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)OCCO)cc1 ZINC000096337624 454319730 /nfs/dbraw/zinc/31/97/30/454319730.db2.gz QIMVBKPQRKRFER-QGZVFWFLSA-N 0 0 333.815 3.128 50 0 EGAARN CC(=O)c1cc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)[nH]n1 ZINC000097136985 454414260 /nfs/dbraw/zinc/41/42/60/454414260.db2.gz GXZVXDGESIBNQV-IBGZPJMESA-N 0 0 348.406 3.144 50 0 EGAARN COc1ccccc1OC1CN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000091321162 454427215 /nfs/dbraw/zinc/42/72/15/454427215.db2.gz JHPDXFFIOKCSCN-UHFFFAOYSA-N 0 0 347.798 3.261 50 0 EGAARN CCOC(=O)Nc1ccc(F)c(F)c1I ZINC000091369117 454430449 /nfs/dbraw/zinc/43/04/49/454430449.db2.gz RBLTZAWFOAQQQK-UHFFFAOYSA-N 0 0 327.068 3.138 50 0 EGAARN C[C@H]1CCC[N@@H+]([C@@H](c2sc3ncnn3c2[O-])c2ccccc2)C1 ZINC000102825197 454521633 /nfs/dbraw/zinc/52/16/33/454521633.db2.gz KSRVQEAXGRXECY-GXTWGEPZSA-N 0 0 328.441 3.318 50 0 EGAARN O=C(Nc1nnc(-c2ccsc2)o1)c1ccc2nsnc2c1 ZINC000049029078 454529193 /nfs/dbraw/zinc/52/91/93/454529193.db2.gz GBGQYQXIFBBSLL-UHFFFAOYSA-N 0 0 329.366 3.055 50 0 EGAARN O=C(CN1CCN(c2ccccc2)C1=O)Nc1cccc2ncccc21 ZINC000049026094 454529244 /nfs/dbraw/zinc/52/92/44/454529244.db2.gz GXRFSWDKJMNKNS-UHFFFAOYSA-N 0 0 346.390 3.116 50 0 EGAARN CSc1cccc(NC(=O)[C@H](C)NC(=O)c2ccccc2F)c1 ZINC000065361952 454553752 /nfs/dbraw/zinc/55/37/52/454553752.db2.gz IYCMNXCCLMBTME-NSHDSACASA-N 0 0 332.400 3.305 50 0 EGAARN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1ncc2ccccc2c1=O ZINC000065363292 454554292 /nfs/dbraw/zinc/55/42/92/454554292.db2.gz HPAYQXKBKXAQPX-JTQLQIEISA-N 0 0 345.761 3.389 50 0 EGAARN CN(C)[C@H](C(=O)N(Cc1ccccn1)C1CC1)c1ccccc1F ZINC000065372004 454554595 /nfs/dbraw/zinc/55/45/95/454554595.db2.gz WGJYVJWUHHERJR-SFHVURJKSA-N 0 0 327.403 3.015 50 0 EGAARN Cc1nnc(SCCNC(=O)C[C@@H]2CCc3ccccc32)s1 ZINC000065374904 454556570 /nfs/dbraw/zinc/55/65/70/454556570.db2.gz KVJBUVAHJUDPQN-ZDUSSCGKSA-N 0 0 333.482 3.175 50 0 EGAARN Cc1nnc(SCCCNC(=O)c2ccc3c(c2)CCCO3)s1 ZINC000065382426 454557538 /nfs/dbraw/zinc/55/75/38/454557538.db2.gz LYVYHBCHCQQKJP-UHFFFAOYSA-N 0 0 349.481 3.084 50 0 EGAARN COc1cccc([C@@H]2CCN2C(=O)CC(=O)Nc2ccc(C)cc2)c1 ZINC000065386077 454557841 /nfs/dbraw/zinc/55/78/41/454557841.db2.gz RACMNHXZVTUNHE-SFHVURJKSA-N 0 0 338.407 3.306 50 0 EGAARN CC(C)c1nccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)n1 ZINC000065394788 454558390 /nfs/dbraw/zinc/55/83/90/454558390.db2.gz HUFIXUQAAIBTJF-ZDUSSCGKSA-N 0 0 333.395 3.464 50 0 EGAARN CCN(Cc1noc(C)n1)C(=O)c1ccc(-c2ccc(OC)cc2)o1 ZINC000065396513 454558668 /nfs/dbraw/zinc/55/86/68/454558668.db2.gz HTUJNXJXBRGYQJ-UHFFFAOYSA-N 0 0 341.367 3.309 50 0 EGAARN CC(C)c1cc(C(=O)N(C)Cc2nccn2Cc2ccccc2)no1 ZINC000065405070 454561891 /nfs/dbraw/zinc/56/18/91/454561891.db2.gz TWIZWRNOIBVNHE-UHFFFAOYSA-N 0 0 338.411 3.315 50 0 EGAARN C[C@@H](Cn1cccn1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000065427440 454566116 /nfs/dbraw/zinc/56/61/16/454566116.db2.gz IWAGPPOWEVGYJO-ZDUSSCGKSA-N 0 0 343.818 3.056 50 0 EGAARN Cc1nc(C2(Cn3ccnc3)CC2)n(-c2cccc(Cl)c2F)n1 ZINC000065431732 454567332 /nfs/dbraw/zinc/56/73/32/454567332.db2.gz VSXMQSIUHVQXGY-UHFFFAOYSA-N 0 0 331.782 3.297 50 0 EGAARN CCc1ccc(-c2c(-c3ccccc3)ncn2CCS(C)(=O)=O)o1 ZINC000065455550 454570961 /nfs/dbraw/zinc/57/09/61/454570961.db2.gz RXTXMQFHEQSRIW-UHFFFAOYSA-N 0 0 344.436 3.417 50 0 EGAARN CCCn1ncc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)c1C ZINC000065466124 454571864 /nfs/dbraw/zinc/57/18/64/454571864.db2.gz GQXNEBKZBSGIAH-UHFFFAOYSA-N 0 0 345.447 3.128 50 0 EGAARN CCCn1nc2c(c1C)[C@H](c1cccc(OCC)c1O)CC(=O)N2 ZINC000065491160 454577576 /nfs/dbraw/zinc/57/75/76/454577576.db2.gz YQSDSPYYIRWWMV-ZDUSSCGKSA-N 0 0 329.400 3.180 50 0 EGAARN C/C(=C\c1ccccc1)c1c(-c2ccccc2)ncn1C[C@H](O)CO ZINC000065506596 454579656 /nfs/dbraw/zinc/57/96/56/454579656.db2.gz YAGRTQBQZOKOMR-BAILOTOSSA-N 0 0 334.419 3.464 50 0 EGAARN C[C@H](NCc1csc(-c2cccs2)n1)C(=O)NC1CCCC1 ZINC000065531802 454586892 /nfs/dbraw/zinc/58/68/92/454586892.db2.gz AYEDXYMPOIPUQI-NSHDSACASA-N 0 0 335.498 3.409 50 0 EGAARN O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)c1ccc2nccnc2c1 ZINC000245093475 455279273 /nfs/dbraw/zinc/27/92/73/455279273.db2.gz RPFVZLCIDMNWPH-WKILWMFISA-N 0 0 348.406 3.145 50 0 EGAARN Cn1nc(-c2cccnc2)cc1CNC(=O)Nc1c(F)cccc1F ZINC000245171821 455279406 /nfs/dbraw/zinc/27/94/06/455279406.db2.gz XWSWJNGGPGFSJQ-UHFFFAOYSA-N 0 0 343.337 3.082 50 0 EGAARN O=C(NCCSc1ccccc1)N1CCCC2(CCOCC2)C1 ZINC000266705157 455439612 /nfs/dbraw/zinc/43/96/12/455439612.db2.gz PGYNOBKUHCKPEQ-UHFFFAOYSA-N 0 0 334.485 3.381 50 0 EGAARN CC(C)(C)OC(=O)N1CC(Oc2ccc(N)cc2Br)C1 ZINC000601014804 460675544 /nfs/dbraw/zinc/67/55/44/460675544.db2.gz OPVIYFFQIOSMLC-UHFFFAOYSA-N 0 0 343.221 3.029 50 0 EGAARN COc1ccccc1[C@@H]1CCCN1Cc1nnc(-c2cccnc2)o1 ZINC000252501334 455815353 /nfs/dbraw/zinc/81/53/53/455815353.db2.gz UEGSLSSTHJBCEW-INIZCTEOSA-N 0 0 336.395 3.477 50 0 EGAARN O=C(/C=C/c1cccs1)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000253473632 455849726 /nfs/dbraw/zinc/84/97/26/455849726.db2.gz WVDUEDSBEYVSHA-RTRPANQVSA-N 0 0 345.445 3.468 50 0 EGAARN O=C(/C=C/c1ccco1)N1C[C@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000253474915 455849785 /nfs/dbraw/zinc/84/97/85/455849785.db2.gz LUYBBPZADGJNTK-LJFOUZCWSA-N 0 0 335.363 3.086 50 0 EGAARN O=C(Nc1ccccc1)c1ncn(-c2ccc(OC(F)F)cc2)n1 ZINC000261490520 455906895 /nfs/dbraw/zinc/90/68/95/455906895.db2.gz BVEXFVHWDHHBQP-UHFFFAOYSA-N 0 0 330.294 3.121 50 0 EGAARN COc1cccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)c1 ZINC000261490580 455907105 /nfs/dbraw/zinc/90/71/05/455907105.db2.gz LHPHXNNHLDKWIA-UHFFFAOYSA-N 0 0 342.786 3.490 50 0 EGAARN O=C(c1cccnc1CC[C@@H]1COc2ccccc2O1)N1CCCC1 ZINC000220483266 456040188 /nfs/dbraw/zinc/04/01/88/456040188.db2.gz GTEFDYHWJXZLIA-OAHLLOKOSA-N 0 0 338.407 3.090 50 0 EGAARN O[C@@H](CN1CCO[C@@H](c2nccs2)C1)c1ccc2ccccc2c1 ZINC000222213075 456046381 /nfs/dbraw/zinc/04/63/81/456046381.db2.gz HHYYHHBQQKTNBD-ZWKOTPCHSA-N 0 0 340.448 3.403 50 0 EGAARN CC(=O)c1ccc(OCC(=O)N[C@H]2CCCc3sc(C)nc32)cc1 ZINC000222514111 456047075 /nfs/dbraw/zinc/04/70/75/456047075.db2.gz DLKZGRURRYGVSN-HNNXBMFYSA-N 0 0 344.436 3.227 50 0 EGAARN O=C(CC1=CSC2=NCCCN12)N1CCCC[C@@H]1c1nccs1 ZINC000222457456 456047243 /nfs/dbraw/zinc/04/72/43/456047243.db2.gz KGOLGBPQCBCXJH-CYBMUJFWSA-N 0 0 348.497 3.237 50 0 EGAARN COc1ccc2oc(CNC(=O)c3ccc(CSC)o3)nc2c1 ZINC000222978601 456052708 /nfs/dbraw/zinc/05/27/08/456052708.db2.gz NEFYZRJTBAGKTI-UHFFFAOYSA-N 0 0 332.381 3.222 50 0 EGAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](Cn2ccnc2)C1 ZINC000223703381 456059924 /nfs/dbraw/zinc/05/99/24/456059924.db2.gz GFFLQAJUHSJWEP-MRXNPFEDSA-N 0 0 336.439 3.236 50 0 EGAARN CSCc1ccc(C(=O)N2CCC(CCn3cccn3)CC2)o1 ZINC000223766763 456061188 /nfs/dbraw/zinc/06/11/88/456061188.db2.gz HLLBOEBXSQEIOT-UHFFFAOYSA-N 0 0 333.457 3.282 50 0 EGAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000225541348 456092091 /nfs/dbraw/zinc/09/20/91/456092091.db2.gz BYFGUJRRFGCNRF-UHFFFAOYSA-N 0 0 347.436 3.235 50 0 EGAARN O=C(Cc1ccc(F)cc1F)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225622504 456098892 /nfs/dbraw/zinc/09/88/92/456098892.db2.gz SPVUFLPRCPMWLX-LJQANCHMSA-N 0 0 346.377 3.186 50 0 EGAARN O=C(NCc1ccnc(-c2ccco2)c1)Nc1ccc2c(c1)OCO2 ZINC000225657974 456101883 /nfs/dbraw/zinc/10/18/83/456101883.db2.gz DZRUCGRTKSAWQO-UHFFFAOYSA-N 0 0 337.335 3.392 50 0 EGAARN CC(C)c1ccc(-c2cccc(C(=O)NCCCn3cccn3)c2)nn1 ZINC000299770034 456781055 /nfs/dbraw/zinc/78/10/55/456781055.db2.gz QAQHAJNPJYCXHK-UHFFFAOYSA-N 0 0 349.438 3.284 50 0 EGAARN O=C(NC[C@@](O)(c1ccoc1)c1ccco1)Nc1c(F)cccc1F ZINC000390826133 457441270 /nfs/dbraw/zinc/44/12/70/457441270.db2.gz CMRGGILTDOGSJI-QGZVFWFLSA-N 0 0 348.305 3.208 50 0 EGAARN COc1cc(OC)cc(C(=O)NCc2ccc(-c3ccoc3)nc2)c1 ZINC000390831141 457444561 /nfs/dbraw/zinc/44/45/61/457444561.db2.gz PWZYJACVYNMKCJ-UHFFFAOYSA-N 0 0 338.363 3.289 50 0 EGAARN Cc1oc2c(c1C(=O)N[C@@H](C)c1nnc(C(C)C)o1)C(=O)CCC2 ZINC000426378240 457815075 /nfs/dbraw/zinc/81/50/75/457815075.db2.gz STXQRQVNUFUZFG-VIFPVBQESA-N 0 0 331.372 3.104 50 0 EGAARN Cc1nnc([C@@H](C)NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)[nH]1 ZINC000426410699 457823899 /nfs/dbraw/zinc/82/38/99/457823899.db2.gz MZXBMGBXWYWQGZ-CYBMUJFWSA-N 0 0 338.411 3.492 50 0 EGAARN Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000426412669 457825243 /nfs/dbraw/zinc/82/52/43/457825243.db2.gz FLKAAUYIINHHCQ-UHFFFAOYSA-N 0 0 341.411 3.270 50 0 EGAARN CCc1cc(-c2ccc(OC)c(OC)c2OC)nc(N2CCCC2)n1 ZINC000426433659 457830531 /nfs/dbraw/zinc/83/05/31/457830531.db2.gz MXOYLUPHHFRUHB-UHFFFAOYSA-N 0 0 343.427 3.332 50 0 EGAARN 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/nfs/dbraw/zinc/44/14/43/209441443.db2.gz ICGLDNFIXLBXNV-UHFFFAOYSA-N 0 0 325.364 3.423 50 0 biogenic EGAARN COc1ccccc1C(=O)c1cc2c(cc1Br)OCCO2 ZINC000000134918 209441483 /nfs/dbraw/zinc/44/14/83/209441483.db2.gz BHCZTJFCGPSSMC-UHFFFAOYSA-N 0 0 349.180 3.460 50 0 EGAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl ZINC000000106772 209424469 /nfs/dbraw/zinc/42/44/69/209424469.db2.gz VZXLBSNWSHWQBL-UHFFFAOYSA-N 0 0 349.173 3.228 50 0 EGAARN C[C@@H](CO)Nc1ccc(-c2nc(CCCc3ccccc3)no2)cn1 ZINC000072410186 216202516 /nfs/dbraw/zinc/20/25/16/216202516.db2.gz TVXRAGNYHFCBNZ-AWEZNQCLSA-N 0 0 338.411 3.100 50 0 EGAARN CN(CCC[C@@H]1CCCO1)c1nc(C2CCCC2)nc2c1cnn2C ZINC000072420484 216209513 /nfs/dbraw/zinc/20/95/13/216209513.db2.gz WOYSJTQWBWGEFY-OAHLLOKOSA-N 0 0 343.475 3.416 50 0 EGAARN COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1cccc(C)c1 ZINC000000068869 209399925 /nfs/dbraw/zinc/39/99/25/209399925.db2.gz WIOVQUCOWZYQHX-QGZVFWFLSA-N 0 0 349.477 3.440 50 0 EGAARN CSc1c(-c2ccccc2)c(N)nn1S(=O)(=O)c1ccccc1 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CC(C)c1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000000044965 209388082 /nfs/dbraw/zinc/38/80/82/209388082.db2.gz UYZHKETXUOKEQM-CYBMUJFWSA-N 0 0 336.391 3.433 50 0 EGAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000043045 209386878 /nfs/dbraw/zinc/38/68/78/209386878.db2.gz CAZLAJHUKBNPBQ-LLVKDONJSA-N 0 0 332.762 3.471 50 0 EGAARN Cn1ncc2c1nc(C1CCCC1)nc2NCC1(O)CCCCC1 ZINC000072426638 216217988 /nfs/dbraw/zinc/21/79/88/216217988.db2.gz WRNGVWKYXXWYEJ-UHFFFAOYSA-N 0 0 329.448 3.128 50 0 EGAARN Cc1nn2c(nc(C)cc2N2CC(Oc3ccccc3F)C2)c1C ZINC000072433607 216228314 /nfs/dbraw/zinc/22/83/14/216228314.db2.gz XXQXANLBWPPOIQ-UHFFFAOYSA-N 0 0 326.375 3.061 50 0 EGAARN O=C1CC[C@]2(CCCN(c3ccccn3)C2)CN1Cc1ccccc1 ZINC000072454443 216240792 /nfs/dbraw/zinc/24/07/92/216240792.db2.gz XEZGKUVEJNMPNV-NRFANRHFSA-N 0 0 335.451 3.491 50 0 EGAARN COCc1ccc(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)o1 ZINC000072473610 216249711 /nfs/dbraw/zinc/24/97/11/216249711.db2.gz LAVRFFRQHQPIJX-HNNXBMFYSA-N 0 0 343.358 3.419 50 0 EGAARN COCCc1noc(-c2ccc(N[C@H](C)c3ncccc3C)nc2)n1 ZINC000072463410 216245662 /nfs/dbraw/zinc/24/56/62/216245662.db2.gz HKLDWPGXGQCSSP-CYBMUJFWSA-N 0 0 339.399 3.197 50 0 EGAARN CCn1c(CCNc2cc(C)nc3cc(C)nn32)nc2ccccc21 ZINC000072463910 216246449 /nfs/dbraw/zinc/24/64/49/216246449.db2.gz NLUCPHVLRFVBKC-UHFFFAOYSA-N 0 0 334.427 3.370 50 0 EGAARN CC(=O)C1(c2ccccc2)CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000072468656 216247593 /nfs/dbraw/zinc/24/75/93/216247593.db2.gz HGJLTVSLOSIPDL-UHFFFAOYSA-N 0 0 347.418 3.097 50 0 EGAARN CCCN1C(=O)CC[C@H]2CN(C(=O)c3nc(C(C)C)cs3)CC[C@H]21 ZINC000072475940 216252658 /nfs/dbraw/zinc/25/26/58/216252658.db2.gz IBSZKQJNAWKDSO-DZGCQCFKSA-N 0 0 349.500 3.130 50 0 EGAARN OC[C@@H]1CCC[C@@H]1Nc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072475029 216252889 /nfs/dbraw/zinc/25/28/89/216252889.db2.gz SLVBYTMKBBVUOH-ZFWWWQNUSA-N 0 0 326.375 3.108 50 0 EGAARN Cc1cc(C)c(CNC(=O)c2ccc(CCC(C)(C)O)cc2)cn1 ZINC000072481137 216261633 /nfs/dbraw/zinc/26/16/33/216261633.db2.gz 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/nfs/dbraw/zinc/33/23/42/212332342.db2.gz GHHQQJRJPCLYSD-QGZVFWFLSA-N 0 0 326.465 3.374 50 0 EGAARN COc1ccc(C[C@](C)(O)CNC(=O)c2cccc(Cl)c2)cc1 ZINC000075155523 216586691 /nfs/dbraw/zinc/58/66/91/216586691.db2.gz RJVOBMNQFDFENQ-SFHVURJKSA-N 0 0 333.815 3.072 50 0 EGAARN Cc1cc(-c2nn3c(CSc4ccccc4)nnc3s2)n[nH]1 ZINC000022504295 212301699 /nfs/dbraw/zinc/30/16/99/212301699.db2.gz KEDAOUQOKKQVRK-UHFFFAOYSA-N 0 0 328.426 3.177 50 0 EGAARN Cc1nc2ccc(C)cn2c1C(=O)N[C@H](c1cccnc1)C(F)(F)F ZINC000215024520 241102991 /nfs/dbraw/zinc/10/29/91/241102991.db2.gz ABMCITWDSMCVFN-OAHLLOKOSA-N 0 0 348.328 3.380 50 0 EGAARN C[C@@H]1CCc2[nH]nc(C(=O)N(C)Cc3nc4ccccc4s3)c2C1 ZINC000215224379 241115147 /nfs/dbraw/zinc/11/51/47/241115147.db2.gz WZWLAJUNPTZWMB-LLVKDONJSA-N 0 0 340.452 3.416 50 0 EGAARN O=C(Nc1ccccc1Br)c1n[nH]nc1-c1ccccc1 ZINC000206651079 241047656 /nfs/dbraw/zinc/04/76/56/241047656.db2.gz ZYGPVZOJVNJQSI-UHFFFAOYSA-N 0 0 343.184 3.487 50 0 EGAARN Cc1ccncc1NC(=O)c1nnn(-c2ccccc2)c1-n1cccc1 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/nfs/dbraw/zinc/45/74/51/277457451.db2.gz AAXAGLHLKPXHGU-JKSUJKDBSA-N 0 0 339.374 3.154 50 0 EGAARN CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)[C@H](C)CCC3 ZINC000005478631 277536758 /nfs/dbraw/zinc/53/67/58/277536758.db2.gz SKMPGOPWHODMJS-SSDOTTSWSA-N 0 0 344.469 3.360 50 0 EGAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)c1 ZINC000005343022 278008191 /nfs/dbraw/zinc/00/81/91/278008191.db2.gz GAMZLSNEDSMUFK-UHFFFAOYSA-N 0 0 347.378 3.318 50 0 EGAARN COc1cccc2c1OCCCN(c1nc3c(s1)c(C)nn3C)C2 ZINC000095512473 278039085 /nfs/dbraw/zinc/03/90/85/278039085.db2.gz YUCJVEVUFWZGID-UHFFFAOYSA-N 0 0 344.440 3.136 50 0 EGAARN COc1ccccc1C(=O)Nc1cccnc1-n1cc(Cl)cn1 ZINC000072403208 278046658 /nfs/dbraw/zinc/04/66/58/278046658.db2.gz MVARXIISFCWPMW-UHFFFAOYSA-N 0 0 328.759 3.182 50 0 EGAARN COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)O2 ZINC000046088501 278046684 /nfs/dbraw/zinc/04/66/84/278046684.db2.gz DBISHAJWOZPLHN-UHFFFAOYSA-N 0 0 326.352 3.057 50 0 EGAARN CC(C)n1c(=O)c2c([nH]c1=S)OC[C@@H]1COc3ccccc3[C@@H]21 ZINC000017027946 278121717 /nfs/dbraw/zinc/12/17/17/278121717.db2.gz PWKNUUJFHPSLID-GWCFXTLKSA-N 0 0 330.409 3.020 50 0 biogenic EGAARN Cc1ccc([C@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc1 ZINC000016650286 278859336 /nfs/dbraw/zinc/85/93/36/278859336.db2.gz KNQDZOABRBYLSO-LLVKDONJSA-N 0 0 346.312 3.364 50 0 EGAARN Cc1cccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)c1 ZINC000000302364 278911955 /nfs/dbraw/zinc/91/19/55/278911955.db2.gz ZMOQVPCKDUNZDL-SWLSCSKDSA-N 0 0 326.318 3.248 50 0 EGAARN Cc1[nH]nc2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000021525074 279058824 /nfs/dbraw/zinc/05/88/24/279058824.db2.gz YVFYRNCCCLLBTJ-GFCCVEGCSA-N 0 0 338.230 3.255 50 0 EGAARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccncc1 ZINC000000229558 279531186 /nfs/dbraw/zinc/53/11/86/279531186.db2.gz YYKKTTPAGDTXPZ-QGZVFWFLSA-N 0 0 346.386 3.493 50 0 EGAARN CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(F)cc1 ZINC000006554917 280132267 /nfs/dbraw/zinc/13/22/67/280132267.db2.gz DPJBQLZWZOXUEU-OTYXRUKQSA-N 0 0 335.404 3.474 50 0 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/nfs/dbraw/zinc/87/50/38/297875038.db2.gz MRWJUHLWGMAUAE-SFHVURJKSA-N 0 0 342.420 3.132 50 0 EGAARN Cc1cc([C@@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)no1 ZINC000033270222 301412859 /nfs/dbraw/zinc/41/28/59/301412859.db2.gz PKGYEBSKAAIGEE-INIZCTEOSA-N 0 0 334.441 3.434 50 0 EGAARN Cc1csc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C)cc2)n1 ZINC000072238255 302428713 /nfs/dbraw/zinc/42/87/13/302428713.db2.gz RRVBNYNYUNGLEM-HOCLYGCPSA-N 0 0 343.452 3.308 50 0 EGAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000012628827 453386655 /nfs/dbraw/zinc/38/66/55/453386655.db2.gz HXXDMOUWCQPLBX-AXFHLTTASA-N 0 0 332.227 3.397 50 0 EGAARN COC(=O)Cc1cc(Br)c(Br)c(F)c1F ZINC000263622701 456178794 /nfs/dbraw/zinc/17/87/94/456178794.db2.gz ACGKQXPYKXQHBX-UHFFFAOYSA-N 0 0 343.949 3.205 50 0 EGAARN CN(Cc1nnc(-c2ccccc2)o1)Cc1[nH]nc2c1CCCCC2 ZINC000244724235 455275272 /nfs/dbraw/zinc/27/52/72/455275272.db2.gz MQIUCHLOTJRAFY-UHFFFAOYSA-N 0 0 337.427 3.361 50 0 EGAARN Fc1ccc(OC2CN(Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000244723955 455275565 /nfs/dbraw/zinc/27/55/65/455275565.db2.gz MKXQOUQXIBMXCC-UHFFFAOYSA-N 0 0 325.343 3.139 50 0 EGAARN CCc1c(C)sc(NC(=O)c2ccc3c(c2)OCO3)c1C(=O)OC ZINC000000035619 452493924 /nfs/dbraw/zinc/49/39/24/452493924.db2.gz BKXUSJYXQLANFD-UHFFFAOYSA-N 0 0 347.392 3.387 50 0 EGAARN CCOC(=O)c1cnc2ccc(OC)cc2c1NCc1cccnc1 ZINC000000071596 452497913 /nfs/dbraw/zinc/49/79/13/452497913.db2.gz HEFWHOCPIKRMOP-UHFFFAOYSA-N 0 0 337.379 3.427 50 0 EGAARN Nc1c(C(=O)NCc2cccnc2)sc(=S)n1-c1ccccc1 ZINC000000075239 452499992 /nfs/dbraw/zinc/49/99/92/452499992.db2.gz IZHWDKBLHYJPOP-UHFFFAOYSA-N 0 0 342.449 3.175 50 0 EGAARN COc1c(Cl)cc(Cl)c(OC)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000000075427 452500515 /nfs/dbraw/zinc/50/05/15/452500515.db2.gz QTMNTSAHXOMDLK-IUCAKERBSA-N 0 0 348.226 3.260 50 0 EGAARN O=C1CCC(=O)N1CCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000000077331 452501075 /nfs/dbraw/zinc/50/10/75/452501075.db2.gz SKAHKBAKJQUOKY-UHFFFAOYSA-N 0 0 348.402 3.438 50 0 EGAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)NC(=S)N1 ZINC000000083510 452502533 /nfs/dbraw/zinc/50/25/33/452502533.db2.gz HCCLTSCLWIANPL-INIZCTEOSA-N 0 0 341.411 3.257 50 0 EGAARN Cc1cc(NC(=O)c2sc(Nc3ccccc3F)nc2N)no1 ZINC000000112789 452510852 /nfs/dbraw/zinc/51/08/52/452510852.db2.gz AIPZLIUDSMBWJQ-UHFFFAOYSA-N 0 0 333.348 3.157 50 0 EGAARN COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)cc3)C2=O)cc1 ZINC000000121692 452513819 /nfs/dbraw/zinc/51/38/19/452513819.db2.gz UDKGNJBNUQZHQP-UHFFFAOYSA-N 0 0 342.782 3.439 50 0 EGAARN Cc1cc(I)ccc1NC(=O)c1ccco1 ZINC000000129219 452515650 /nfs/dbraw/zinc/51/56/50/452515650.db2.gz WFJZFRCBUANMFQ-UHFFFAOYSA-N 0 0 327.121 3.445 50 0 EGAARN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000000146784 452520895 /nfs/dbraw/zinc/52/08/95/452520895.db2.gz GYLVCPBXGATLCT-BJMVGYQFSA-N 0 0 343.379 3.373 50 0 biogenic EGAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc2ccccc21 ZINC000000161228 452524523 /nfs/dbraw/zinc/52/45/23/452524523.db2.gz SUMXFJYSCPKAMO-LJQANCHMSA-N 0 0 333.387 3.354 50 0 EGAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000000158034 452525074 /nfs/dbraw/zinc/52/50/74/452525074.db2.gz KZGXKDCBCKJVDW-OAHLLOKOSA-N 0 0 326.371 3.121 50 0 EGAARN Cc1ccc2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)ccc2n1 ZINC000000158206 452525548 /nfs/dbraw/zinc/52/55/48/452525548.db2.gz OQVPFMJZGIBMKV-HNNXBMFYSA-N 0 0 349.390 3.123 50 0 EGAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000175757 452527199 /nfs/dbraw/zinc/52/71/99/452527199.db2.gz GCQDBYMCNWRYGI-KRWDZBQOSA-N 0 0 349.477 3.440 50 0 EGAARN O=C(CCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21 ZINC000000182669 452528298 /nfs/dbraw/zinc/52/82/98/452528298.db2.gz RAEWNGATKVTQCU-UHFFFAOYSA-N 0 0 334.419 3.335 50 0 EGAARN CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc3ccccc3c2)S1 ZINC000000201303 452532694 /nfs/dbraw/zinc/53/26/94/452532694.db2.gz AQJBMHNMOCLGJS-KRWDZBQOSA-N 0 0 327.409 3.015 50 0 EGAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C)cc1 ZINC000000202275 452533565 /nfs/dbraw/zinc/53/35/65/452533565.db2.gz MIGJYABCUPKHEE-MRXNPFEDSA-N 0 0 344.436 3.208 50 0 EGAARN COc1cc(-c2nc3cc(Cl)ccc3c(=O)o2)ccc1OC(C)=O ZINC000000203417 452534487 /nfs/dbraw/zinc/53/44/87/452534487.db2.gz YIRMOQLXAGYRNC-UHFFFAOYSA-N 0 0 345.738 3.442 50 0 EGAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000000206988 452534878 /nfs/dbraw/zinc/53/48/78/452534878.db2.gz BQYVWDGVKNRFBH-UHFFFAOYSA-N 0 0 341.407 3.463 50 0 EGAARN CC[C@H]1CCc2c(sc(NC(=O)c3cnccn3)c2C(=O)OC)C1 ZINC000000204334 452534937 /nfs/dbraw/zinc/53/49/37/452534937.db2.gz QUQKVILVYJIFKI-JTQLQIEISA-N 0 0 345.424 3.092 50 0 EGAARN Cc1ccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn32)cc1 ZINC000000206060 452535252 /nfs/dbraw/zinc/53/52/52/452535252.db2.gz ONNCLWHZDPXSBQ-UHFFFAOYSA-N 0 0 326.363 3.439 50 0 EGAARN Nc1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(N)c3)cc2)c1 ZINC000000241850 452546342 /nfs/dbraw/zinc/54/63/42/452546342.db2.gz SLROFZGOINZDQM-UHFFFAOYSA-N 0 0 348.358 3.289 50 0 EGAARN CC(=O)c1cccc(NC(=O)CCn2c3ccccc3sc2=O)c1 ZINC000000246047 452546367 /nfs/dbraw/zinc/54/63/67/452546367.db2.gz CHSAUBHRKBQEMG-UHFFFAOYSA-N 0 0 340.404 3.294 50 0 EGAARN COc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1OC ZINC000000264126 452549632 /nfs/dbraw/zinc/54/96/32/452549632.db2.gz UCAQIWCEGNDWDO-UHFFFAOYSA-N 0 0 338.363 3.110 50 0 EGAARN COc1cccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)c1 ZINC000000266999 452550068 /nfs/dbraw/zinc/55/00/68/452550068.db2.gz UIFJFUGADRJPRR-JXMROGBWSA-N 0 0 330.384 3.361 50 0 EGAARN Nc1cccc(C(=O)OCC(=O)c2ccc(Br)cc2)c1 ZINC000000283160 452554862 /nfs/dbraw/zinc/55/48/62/452554862.db2.gz MPSQHCVCGJGFLT-UHFFFAOYSA-N 0 0 334.169 3.071 50 0 EGAARN COC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000000299075 452556756 /nfs/dbraw/zinc/55/67/56/452556756.db2.gz YMVKVXGORHRNBB-UHFFFAOYSA-N 0 0 335.153 3.455 50 0 EGAARN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000000314162 452561938 /nfs/dbraw/zinc/56/19/38/452561938.db2.gz NJLIMAALTBYIIQ-HNNXBMFYSA-N 0 0 338.407 3.304 50 0 EGAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC=O ZINC000000333924 452566875 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/nfs/dbraw/zinc/61/32/36/453613236.db2.gz FKVSPRIRZMKICD-JTQLQIEISA-N 0 0 347.440 3.219 50 0 EGAARN Cc1nc(NC(=O)c2cccc(OC(C)C)c2)sc1C(=O)N(C)C ZINC000016604201 453614473 /nfs/dbraw/zinc/61/44/73/453614473.db2.gz PHEMIVOJVXWABZ-UHFFFAOYSA-N 0 0 347.440 3.193 50 0 EGAARN Cc1ccc(-n2nnc(C(=O)Nc3nccs3)c2C(C)C)cc1 ZINC000016649914 453618173 /nfs/dbraw/zinc/61/81/73/453618173.db2.gz KPWXFOAQHALCSY-UHFFFAOYSA-N 0 0 327.413 3.408 50 0 EGAARN CC[C@H](C)NC(=S)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000016740036 453621763 /nfs/dbraw/zinc/62/17/63/453621763.db2.gz VDJGRKQNJXQQPJ-ZDUSSCGKSA-N 0 0 325.909 3.443 50 0 EGAARN CCNC(=O)CCc1csc2nc(-c3ccc(OC)cc3)cn12 ZINC000016848842 453622933 /nfs/dbraw/zinc/62/29/33/453622933.db2.gz MOLAPAOHHIDGFP-UHFFFAOYSA-N 0 0 329.425 3.140 50 0 EGAARN COc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC000017064818 453627309 /nfs/dbraw/zinc/62/73/09/453627309.db2.gz DBMSQAZGECHEJI-UHFFFAOYSA-N 0 0 336.391 3.384 50 0 biogenic EGAARN Cc1cc(Cl)ccc1OCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000017066692 453627506 /nfs/dbraw/zinc/62/75/06/453627506.db2.gz MJZGULVUVWCKQR-KBPBESRZSA-N 0 0 325.836 3.443 50 0 EGAARN Cc1ccc(CNC(=S)N[C@@H](Cn2cccn2)C(C)(C)C)cc1 ZINC000017067885 453628118 /nfs/dbraw/zinc/62/81/18/453628118.db2.gz XZDLHIUUECSBFJ-INIZCTEOSA-N 0 0 330.501 3.271 50 0 EGAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C1=O ZINC000018024059 453641430 /nfs/dbraw/zinc/64/14/30/453641430.db2.gz ZTHFNEXBYXUJIA-BETUJISGSA-N 0 0 347.436 3.387 50 0 EGAARN COC(OC)[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 ZINC000020220973 453662604 /nfs/dbraw/zinc/66/26/04/453662604.db2.gz MIDQSAAGZYURKB-SFHVURJKSA-N 0 0 349.390 3.252 50 0 EGAARN COC(=O)c1cc(-c2cn(C)nc2C)nc2onc(-c3ccccc3)c21 ZINC000020605865 453667168 /nfs/dbraw/zinc/66/71/68/453667168.db2.gz QMWXYGLGANRDHE-UHFFFAOYSA-N 0 0 348.362 3.385 50 0 EGAARN CN1C(=O)CC[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000020717533 453668029 /nfs/dbraw/zinc/66/80/29/453668029.db2.gz DUSJOGIPUBUOKK-WMZOPIPTSA-N 0 0 326.371 3.374 50 0 EGAARN Cc1cccc2c1NC(=O)[C@@]21CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000020726222 453668586 /nfs/dbraw/zinc/66/85/86/453668586.db2.gz QIYWAHSCMSJIBT-FQEVSTJZSA-N 0 0 344.374 3.411 50 0 EGAARN O=C(N[C@H](c1nc2ccccc2[nH]1)c1ccccc1)c1ccccn1 ZINC000022260389 453689773 /nfs/dbraw/zinc/68/97/73/453689773.db2.gz CPSDWTZYSRROQF-SFHVURJKSA-N 0 0 328.375 3.477 50 0 EGAARN O=C(Nc1ccncc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000024702996 453743392 /nfs/dbraw/zinc/74/33/92/453743392.db2.gz SSESPPQBTPTASP-UHFFFAOYSA-N 0 0 343.814 3.226 50 0 EGAARN COC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000025048572 453756537 /nfs/dbraw/zinc/75/65/37/453756537.db2.gz GPBVJRIBFLGANT-UHFFFAOYSA-N 0 0 339.326 3.255 50 0 EGAARN CN1CC[C@]2(CCN3CCc4c5ccccc5oc4[C@H]3C2)N(C)C1=O ZINC000025759433 453785096 /nfs/dbraw/zinc/78/50/96/453785096.db2.gz JRDUBBHIPPPSLP-OXQOHEQNSA-N 0 0 339.439 3.252 50 0 EGAARN COC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000026771571 453805377 /nfs/dbraw/zinc/80/53/77/453805377.db2.gz 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/nfs/dbraw/zinc/86/26/48/453862648.db2.gz MINQPJDWPARCAG-LJQANCHMSA-N 0 0 345.402 3.414 50 0 EGAARN CC(C)(C)n1ncc2c1NC(=O)C[C@]21C(=O)Nc2cc(F)ccc21 ZINC000032096590 453864260 /nfs/dbraw/zinc/86/42/60/453864260.db2.gz QCKWISQZRRZEEW-QGZVFWFLSA-N 0 0 328.347 3.007 50 0 EGAARN C[C@@H](NC(=O)CCc1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000032281983 453867040 /nfs/dbraw/zinc/86/70/40/453867040.db2.gz VYUKLUATAGONHS-CQSZACIVSA-N 0 0 326.396 3.053 50 0 EGAARN C[C@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000075170530 453868536 /nfs/dbraw/zinc/86/85/36/453868536.db2.gz YCYKQLFZKUNUCG-INIZCTEOSA-N 0 0 339.313 3.223 50 0 EGAARN O=C(Nc1ccnn1Cc1ccco1)c1cc(-c2cccs2)on1 ZINC000032593423 453878952 /nfs/dbraw/zinc/87/89/52/453878952.db2.gz DXRHNWSPLSLBBG-UHFFFAOYSA-N 0 0 340.364 3.493 50 0 EGAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCCC1 ZINC000033012559 453901147 /nfs/dbraw/zinc/90/11/47/453901147.db2.gz NIYDMNXEBSCQJF-UHFFFAOYSA-N 0 0 349.390 3.405 50 0 EGAARN Cc1nc([C@H]2CCCN(Cc3cc4c(c(Cl)c3)OCO4)C2)no1 ZINC000075573145 453906393 /nfs/dbraw/zinc/90/63/93/453906393.db2.gz XKJLEHSOYMNAOU-LBPRGKRZSA-N 0 0 335.791 3.140 50 0 EGAARN CCc1nc2ccccc2c(OCC(=O)Nc2ccccc2F)n1 ZINC000033287301 453913456 /nfs/dbraw/zinc/91/34/56/453913456.db2.gz OGTQZAWSLICFKW-UHFFFAOYSA-N 0 0 325.343 3.349 50 0 EGAARN CC(=O)c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000033854623 453917132 /nfs/dbraw/zinc/91/71/32/453917132.db2.gz WUACASOFWVSHIR-UHFFFAOYSA-N 0 0 338.451 3.480 50 0 EGAARN O=C(Cc1cccc(Cl)c1)N1CCC[C@H](OCc2cccnc2)C1 ZINC000082086586 453922257 /nfs/dbraw/zinc/92/22/57/453922257.db2.gz FTCRPYWZHPIAII-SFHVURJKSA-N 0 0 344.842 3.485 50 0 EGAARN Cc1ccc(N2C3=C(C(=O)OC3)[C@H](c3ccc(F)cc3)CC2=O)cc1 ZINC000035142658 453922596 /nfs/dbraw/zinc/92/25/96/453922596.db2.gz TXXZMIRGRKIXOD-INIZCTEOSA-N 0 0 337.350 3.466 50 0 EGAARN COCC1(C(=O)N2CCC[C@H](COc3ccccc3C)C2)CCC1 ZINC000082096533 453922885 /nfs/dbraw/zinc/92/28/85/453922885.db2.gz MYWKKNZSHAVFSS-KRWDZBQOSA-N 0 0 331.456 3.429 50 0 EGAARN O=C(c1ccc2ncsc2c1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000082087538 453922911 /nfs/dbraw/zinc/92/29/11/453922911.db2.gz WMVFKHTWEMHSLD-ZDUSSCGKSA-N 0 0 326.425 3.045 50 0 EGAARN CC(=O)c1cc(CC(=O)N2CCCC[C@@H]2CCn2ccnc2)cs1 ZINC000082092079 453923085 /nfs/dbraw/zinc/92/30/85/453923085.db2.gz ALRPTNOBUOXUMZ-MRXNPFEDSA-N 0 0 345.468 3.161 50 0 EGAARN C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1Cc1cccc(O)c1 ZINC000082114650 453924531 /nfs/dbraw/zinc/92/45/31/453924531.db2.gz SYYBJMKLSVDWAQ-CYBMUJFWSA-N 0 0 330.815 3.283 50 0 EGAARN CSc1ncccc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000082116140 453925396 /nfs/dbraw/zinc/92/53/96/453925396.db2.gz HQZBCASIETZTOF-HNNXBMFYSA-N 0 0 343.452 3.020 50 0 EGAARN Cc1nc(C)c(C(=O)N(C)Cc2cc(-c3ccncc3)no2)s1 ZINC000082146024 453925888 /nfs/dbraw/zinc/92/58/88/453925888.db2.gz GBMOTKDNTSNFJM-UHFFFAOYSA-N 0 0 328.397 3.082 50 0 EGAARN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 ZINC000082139004 453926117 /nfs/dbraw/zinc/92/61/17/453926117.db2.gz MFTWADHCVCVXDK-AWEZNQCLSA-N 0 0 332.404 3.094 50 0 EGAARN C[C@]1(c2nc(C3CC3)no2)CCCN(C(=O)CCc2ccccc2)C1 ZINC000075876531 453935048 /nfs/dbraw/zinc/93/50/48/453935048.db2.gz MJQNETGWDCKPQT-FQEVSTJZSA-N 0 0 339.439 3.460 50 0 EGAARN O=C(CCc1c[nH]c2ccccc12)NCCc1[nH]nc2c1CCCC2 ZINC000067641748 453952474 /nfs/dbraw/zinc/95/24/74/453952474.db2.gz QHSSEHNAENQAPB-UHFFFAOYSA-N 0 0 336.439 3.061 50 0 EGAARN CC(=O)c1ccc(Nc2nc3ccccc3c(N3CCOCC3)n2)cc1 ZINC000041148857 453957995 /nfs/dbraw/zinc/95/79/95/453957995.db2.gz HZFHNFKWMIMHFX-UHFFFAOYSA-N 0 0 348.406 3.413 50 0 EGAARN Fc1cnccc1N1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000067712992 453960260 /nfs/dbraw/zinc/96/02/60/453960260.db2.gz MNJOMIVHRYSTLP-UHFFFAOYSA-N 0 0 337.345 3.144 50 0 EGAARN O=C(c1cc(COc2ccccc2)[nH]n1)N(Cc1cccnc1)C1CC1 ZINC000067724677 453960878 /nfs/dbraw/zinc/96/08/78/453960878.db2.gz PKHWKHNUBIQKIG-UHFFFAOYSA-N 0 0 348.406 3.189 50 0 EGAARN CC(C)c1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 ZINC000041785694 453977796 /nfs/dbraw/zinc/97/77/96/453977796.db2.gz ZAKDMYORQOVIGQ-UHFFFAOYSA-N 0 0 331.441 3.348 50 0 EGAARN O=C(c1cc(Cl)ccc1Cl)N1CCC(N2CCCC2=O)CC1 ZINC000085436549 454029029 /nfs/dbraw/zinc/02/90/29/454029029.db2.gz JEPCJAXEAJPNFV-UHFFFAOYSA-N 0 0 341.238 3.220 50 0 EGAARN Cc1cc(=O)c(C(=O)N2CCC(CCc3ccccc3)CC2)c(C)[nH]1 ZINC000077300637 454087647 /nfs/dbraw/zinc/08/76/47/454087647.db2.gz XUOAVORQDNSHIK-UHFFFAOYSA-N 0 0 338.451 3.477 50 0 EGAARN CC(C)CN1CCN(C(=O)CCCCc2ccccc2)[C@@H](C)C1=O ZINC000077321085 454091601 /nfs/dbraw/zinc/09/16/01/454091601.db2.gz ZFVKMJPNRJXNJN-KRWDZBQOSA-N 0 0 330.472 3.115 50 0 EGAARN CCn1ncc(C(=O)N2CCC[C@@H](COc3ccc(C)cc3)C2)c1C ZINC000077354998 454095841 /nfs/dbraw/zinc/09/58/41/454095841.db2.gz AJRMBXGNIHCRBI-QGZVFWFLSA-N 0 0 341.455 3.451 50 0 EGAARN CCCc1ccc2oc(C(=O)N3CCC(=O)NC[C@H]3C)c(C)c2c1 ZINC000077358941 454097013 /nfs/dbraw/zinc/09/70/13/454097013.db2.gz WRJUSVNTOBPQLX-GFCCVEGCSA-N 0 0 328.412 3.044 50 0 EGAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3csc(C)n3)cc2)n1 ZINC000077378788 454099366 /nfs/dbraw/zinc/09/93/66/454099366.db2.gz 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/nfs/dbraw/zinc/10/60/90/454106090.db2.gz MPQRADGBGVDICD-UHFFFAOYSA-N 0 0 349.438 3.229 50 0 EGAARN Cc1cc(C)n(CCCC(=O)N(C)Cc2cccc3ncccc23)n1 ZINC000077454823 454107515 /nfs/dbraw/zinc/10/75/15/454107515.db2.gz VJKMQZUECUPUPG-UHFFFAOYSA-N 0 0 336.439 3.487 50 0 EGAARN Cc1nc(-c2ccc(Cn3ccnc3-c3ccc(CO)o3)cc2)no1 ZINC000077470117 454109026 /nfs/dbraw/zinc/10/90/26/454109026.db2.gz XVRWJAJUAOKMTP-UHFFFAOYSA-N 0 0 336.351 3.042 50 0 EGAARN CN(Cc1cccc(-n2cccn2)c1)C(=O)COCc1ccccc1 ZINC000077470372 454109209 /nfs/dbraw/zinc/10/92/09/454109209.db2.gz UMDKBRFFJZNRCG-UHFFFAOYSA-N 0 0 335.407 3.048 50 0 EGAARN COc1cc(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)ccn1 ZINC000077516209 454116464 /nfs/dbraw/zinc/11/64/64/454116464.db2.gz FKEGCFKBQXULIS-OAHLLOKOSA-N 0 0 340.358 3.083 50 0 EGAARN CC(C)c1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c(=O)n1C ZINC000077520153 454116928 /nfs/dbraw/zinc/11/69/28/454116928.db2.gz YTCXTHPZZNYJOZ-OAHLLOKOSA-N 0 0 342.414 3.278 50 0 EGAARN Cc1nccn1C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000077519327 454117166 /nfs/dbraw/zinc/11/71/66/454117166.db2.gz WTYLQJKRVMSIPM-HNNXBMFYSA-N 0 0 347.846 3.032 50 0 EGAARN Cc1nc2cc(NC(=O)Cc3ccc4c(c3)OCCCO4)ccc2[nH]1 ZINC000044890319 454124529 /nfs/dbraw/zinc/12/45/29/454124529.db2.gz AWFDXMKMSIGGME-UHFFFAOYSA-N 0 0 337.379 3.214 50 0 EGAARN O=C(Nc1nc2ccccc2[nH]1)c1csc(NCc2ccco2)n1 ZINC000044903554 454125575 /nfs/dbraw/zinc/12/55/75/454125575.db2.gz NAELTAFZIZBDJF-UHFFFAOYSA-N 0 0 339.380 3.477 50 0 EGAARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2cc[nH]c2c1 ZINC000044921101 454127276 /nfs/dbraw/zinc/12/72/76/454127276.db2.gz QNRNBQNZIUGXQW-UHFFFAOYSA-N 0 0 338.415 3.134 50 0 EGAARN O=C(COC(=O)c1cc(F)ccc1F)Nc1ccccc1Cl ZINC000057472285 454131300 /nfs/dbraw/zinc/13/13/00/454131300.db2.gz AAVKSALHPREMQY-UHFFFAOYSA-N 0 0 325.698 3.414 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)c(C)c1 ZINC000057472061 454131439 /nfs/dbraw/zinc/13/14/39/454131439.db2.gz NNBBRWDJNNCDMO-UHFFFAOYSA-N 0 0 335.306 3.077 50 0 EGAARN C[C@@](O)(CNC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000070639625 454170145 /nfs/dbraw/zinc/17/01/45/454170145.db2.gz YRTXQLHQQYTVAX-OAQYLSRUSA-N 0 0 335.403 3.243 50 0 EGAARN Cc1ccc(C)c2sc(N(C)CC(=O)NCc3cccnc3)nc21 ZINC000070973825 454190759 /nfs/dbraw/zinc/19/07/59/454190759.db2.gz CTWUZEROLCKYQL-UHFFFAOYSA-N 0 0 340.452 3.061 50 0 EGAARN CC(C)(C)OC(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1 ZINC000071256216 454202101 /nfs/dbraw/zinc/20/21/01/454202101.db2.gz AYJVUSHJDGQSOF-UHFFFAOYSA-N 0 0 349.328 3.297 50 0 EGAARN COc1ccccc1-c1ccc(N[C@H](C)Cn2nc(C)cc2C)nn1 ZINC000071745848 454211462 /nfs/dbraw/zinc/21/14/62/454211462.db2.gz GJYWWEWPJUCHMV-CQSZACIVSA-N 0 0 337.427 3.466 50 0 EGAARN [O-]C1=[NH+]CCN1CCn1ccnc1-c1ccc2c(c1)Cc1ccccc1-2 ZINC000071771788 454216691 /nfs/dbraw/zinc/21/66/91/454216691.db2.gz MRZJAXSSFNGNQI-UHFFFAOYSA-N 0 0 344.418 3.147 50 0 EGAARN Cc1nn(C)c(C)c1CNC(=O)c1sc(-c2ccccc2)nc1C ZINC000095472752 454220054 /nfs/dbraw/zinc/22/00/54/454220054.db2.gz 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/nfs/dbraw/zinc/23/14/83/454231483.db2.gz DATVVWHODDAQDH-INIZCTEOSA-N 0 0 337.427 3.292 50 0 EGAARN O=C(CCn1ccc2ccccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119893505 454233415 /nfs/dbraw/zinc/23/34/15/454233415.db2.gz ZDGMSGBQLUHYBC-FXAWDEMLSA-N 0 0 326.440 3.185 50 0 biogenic EGAARN CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1 ZINC000059227418 454254574 /nfs/dbraw/zinc/25/45/74/454254574.db2.gz LQGSKUHDCZPEON-UHFFFAOYSA-N 0 0 337.305 3.180 50 0 EGAARN O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccco1)C1CCOCC1 ZINC000096025024 454263905 /nfs/dbraw/zinc/26/39/05/454263905.db2.gz JSIVFRYKNNNCNV-UHFFFAOYSA-N 0 0 344.367 3.221 50 0 EGAARN Cc1noc(Cc2ccccc2NC(=O)NCCc2ccccc2)n1 ZINC000096097082 454281362 /nfs/dbraw/zinc/28/13/62/454281362.db2.gz MSLALBYSTIBROW-UHFFFAOYSA-N 0 0 336.395 3.333 50 0 EGAARN CN(C)c1ncc(NC(=O)c2ccc(C(C)(C)C)cc2)c(N(C)C)n1 ZINC000096098750 454282065 /nfs/dbraw/zinc/28/20/65/454282065.db2.gz XKVXDYQJGJPEEC-UHFFFAOYSA-N 0 0 341.459 3.158 50 0 EGAARN COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1oc(C)cc(=O)c1O ZINC000096114922 454287271 /nfs/dbraw/zinc/28/72/71/454287271.db2.gz DZKLHPDHPCDVOZ-OAHLLOKOSA-N 0 0 330.380 3.472 50 0 biogenic EGAARN CC[C@@](CNC(=O)c1cccc(N(C)C)c1)(OC)c1ccccc1 ZINC000096123700 454289318 /nfs/dbraw/zinc/28/93/18/454289318.db2.gz KHZMTQJRHRCXAF-FQEVSTJZSA-N 0 0 326.440 3.434 50 0 EGAARN CO[C@](C)(CNC(=O)c1c(C)nc2ccccn21)c1ccccc1F ZINC000096123482 454289728 /nfs/dbraw/zinc/28/97/28/454289728.db2.gz XYHXMPPMWNVIGK-LJQANCHMSA-N 0 0 341.386 3.073 50 0 EGAARN CC[C@@H](NC(=O)Nc1ccc2nc(C)c(C)nc2c1)c1nc(C)no1 ZINC000096139712 454291569 /nfs/dbraw/zinc/29/15/69/454291569.db2.gz QJLMHIABYCPYPG-CYBMUJFWSA-N 0 0 340.387 3.211 50 0 EGAARN Cc1ccc(-c2nc([C@H](C)N3CCCC3=O)n(CC(F)(F)F)n2)o1 ZINC000096139351 454291973 /nfs/dbraw/zinc/29/19/73/454291973.db2.gz DPDZKLRGIQGRCY-JTQLQIEISA-N 0 0 342.321 3.092 50 0 EGAARN CCOCc1nc(C2CCOCC2)nn1-c1cccc2cccnc21 ZINC000096139072 454292073 /nfs/dbraw/zinc/29/20/73/454292073.db2.gz GHYBIIOOKOOWFL-UHFFFAOYSA-N 0 0 338.411 3.246 50 0 EGAARN CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000096139364 454292234 /nfs/dbraw/zinc/29/22/34/454292234.db2.gz IVRKXKKVFKPZQN-MRXNPFEDSA-N 0 0 328.416 3.500 50 0 EGAARN Cc1ccc(NC(=O)NCC2(Cn3cccn3)CC2)c2cccnc12 ZINC000096165776 454296561 /nfs/dbraw/zinc/29/65/61/454296561.db2.gz KWNDJTPGFLABNP-UHFFFAOYSA-N 0 0 335.411 3.342 50 0 EGAARN Cc1ccc2cccc(NC(=O)N(C)CCCc3nccn3C)c2n1 ZINC000096166442 454297223 /nfs/dbraw/zinc/29/72/23/454297223.db2.gz IVBNPLXMFJDBGZ-UHFFFAOYSA-N 0 0 337.427 3.373 50 0 EGAARN CCn1nc([C@H](O)c2ccccc2)nc1Cc1ccc(O)c(Cl)c1 ZINC000096179727 454297397 /nfs/dbraw/zinc/29/73/97/454297397.db2.gz OSNXFEBUJVPRQD-QGZVFWFLSA-N 0 0 343.814 3.330 50 0 EGAARN COc1ccccc1NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000046902552 454299201 /nfs/dbraw/zinc/29/92/01/454299201.db2.gz KLJAYXHKPNLCMY-UHFFFAOYSA-N 0 0 349.431 3.216 50 0 EGAARN O=C(C=Cc1ccc(F)cc1)Nc1ccccc1-c1ccc(=O)[nH]n1 ZINC000090613923 454327856 /nfs/dbraw/zinc/32/78/56/454327856.db2.gz KCTZWXMMCZCOSZ-YRNVUSSQSA-N 0 0 335.338 3.228 50 0 EGAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)OCC(F)(F)F)c2)n1 ZINC000062149318 454369028 /nfs/dbraw/zinc/36/90/28/454369028.db2.gz CGEIGMXVGXDRKZ-UHFFFAOYSA-N 0 0 341.289 3.110 50 0 EGAARN CCCc1nc(C(=O)N2CC(OCc3ccccc3F)C2)cs1 ZINC000091289618 454422937 /nfs/dbraw/zinc/42/29/37/454422937.db2.gz KVCCPWQVMLEXBA-UHFFFAOYSA-N 0 0 334.416 3.276 50 0 EGAARN Cc1ccc(NCCCNC(=O)c2ccc3cccc(F)c3n2)nc1 ZINC000091320106 454426196 /nfs/dbraw/zinc/42/61/96/454426196.db2.gz JDDXWQQGTJUECW-UHFFFAOYSA-N 0 0 338.386 3.309 50 0 EGAARN O=C([O-])[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1C1CC1 ZINC000091325881 454428099 /nfs/dbraw/zinc/42/80/99/454428099.db2.gz PQGSOGDJCDNCBH-DLBZAZTESA-N 0 0 329.444 3.067 50 0 EGAARN CCOc1ccccc1NC(=O)C1CCN(C(=O)N(CC)CC)CC1 ZINC000047987116 454429306 /nfs/dbraw/zinc/42/93/06/454429306.db2.gz RECRTNSURRPWAN-UHFFFAOYSA-N 0 0 347.459 3.198 50 0 EGAARN O=C(CCCc1cn[nH]c1)N(Cc1nccs1)Cc1ccccc1 ZINC000097492418 454439161 /nfs/dbraw/zinc/43/91/61/454439161.db2.gz XZLFVLKLPNLKIJ-UHFFFAOYSA-N 0 0 340.452 3.418 50 0 EGAARN CCc1nccn1CC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000048175557 454452900 /nfs/dbraw/zinc/45/29/00/454452900.db2.gz AORLNIAXRZGVKO-UHFFFAOYSA-N 0 0 337.427 3.393 50 0 EGAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000063889607 454457583 /nfs/dbraw/zinc/45/75/83/454457583.db2.gz MILRSLNISRZCMI-UHFFFAOYSA-N 0 0 344.842 3.149 50 0 EGAARN O=C1C(=Cc2ccc3ccccc3n2)NC(=S)N1c1ccccc1 ZINC000101358171 454470278 /nfs/dbraw/zinc/47/02/78/454470278.db2.gz GYFQHFTWRVCBRU-ATVHPVEESA-N 0 0 331.400 3.497 50 0 EGAARN CCCCc1cn(CC2CCN(C(=O)c3cccs3)CC2)nn1 ZINC000048315009 454472121 /nfs/dbraw/zinc/47/21/21/454472121.db2.gz DYPZCJVWWCEMEU-UHFFFAOYSA-N 0 0 332.473 3.235 50 0 EGAARN COCc1cn(CC2CCN(C(=O)CC3CCCCCC3)CC2)nn1 ZINC000048422467 454488188 /nfs/dbraw/zinc/48/81/88/454488188.db2.gz DRMYFMRJRMVDFQ-UHFFFAOYSA-N 0 0 348.491 3.024 50 0 EGAARN COc1ccc([C@H](C)N2Cc3ccccc3OCC2=O)cc1OC ZINC000065184349 454536623 /nfs/dbraw/zinc/53/66/23/454536623.db2.gz CGYKWDIWTLMOME-ZDUSSCGKSA-N 0 0 327.380 3.186 50 0 EGAARN COc1cccc(CN2Cc3cc(Cl)cc(OC)c3OCC2=O)c1 ZINC000065184549 454536781 /nfs/dbraw/zinc/53/67/81/454536781.db2.gz RGCCCIWIVVXORB-UHFFFAOYSA-N 0 0 347.798 3.278 50 0 EGAARN COc1ccc(N2Cc3cccc(OC)c3OCC2=O)cc1Cl ZINC000065184490 454536956 /nfs/dbraw/zinc/53/69/56/454536956.db2.gz BGXCXGOKXQHZEO-UHFFFAOYSA-N 0 0 333.771 3.283 50 0 EGAARN CCc1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C ZINC000065363036 454554250 /nfs/dbraw/zinc/55/42/50/454554250.db2.gz YOBIDEQVLJQJAV-UHFFFAOYSA-N 0 0 346.452 3.206 50 0 EGAARN CCc1nnc(CN(CC)C(=O)c2csc(-c3cccs3)n2)o1 ZINC000065370750 454554823 /nfs/dbraw/zinc/55/48/23/454554823.db2.gz WKFHBNRHZXUHSO-UHFFFAOYSA-N 0 0 348.453 3.479 50 0 EGAARN O=C1NCCCc2nc(-c3cc(-c4ccccc4Cl)no3)[nH]c21 ZINC000065393427 454559113 /nfs/dbraw/zinc/55/91/13/454559113.db2.gz BOXWGJMTJIWKBJ-UHFFFAOYSA-N 0 0 328.759 3.061 50 0 EGAARN COc1ccccc1-n1nc(CC(C)C)nc1Cc1cc(C)no1 ZINC000065396101 454559144 /nfs/dbraw/zinc/55/91/44/454559144.db2.gz YRLUWXPBOYEZNJ-UHFFFAOYSA-N 0 0 326.400 3.362 50 0 EGAARN CCCc1nc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)cs1 ZINC000065407999 454561468 /nfs/dbraw/zinc/56/14/68/454561468.db2.gz MKPMKCBCUAMCEW-GOSISDBHSA-N 0 0 330.453 3.138 50 0 EGAARN C[C@H](NC(=O)c1ccccc1N1CCCC1)c1cn2ccsc2n1 ZINC000065421701 454564333 /nfs/dbraw/zinc/56/43/33/454564333.db2.gz SSRLATVINUQPOK-ZDUSSCGKSA-N 0 0 340.452 3.487 50 0 EGAARN CNc1cc(C(=O)N2CCC[C@@H](COc3ccccc3C)C2)ccn1 ZINC000065425291 454566261 /nfs/dbraw/zinc/56/62/61/454566261.db2.gz RVAUHOAETBMRHS-MRXNPFEDSA-N 0 0 339.439 3.363 50 0 EGAARN CCCn1ccnc1[C@@H]1CC(=O)Nc2n[nH]c(-c3cccs3)c21 ZINC000065431620 454566513 /nfs/dbraw/zinc/56/65/13/454566513.db2.gz QDPIPFNIMVRYRB-SNVBAGLBSA-N 0 0 327.413 3.219 50 0 EGAARN Cc1csc([C@@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)n1 ZINC000065462464 454571798 /nfs/dbraw/zinc/57/17/98/454571798.db2.gz KZWWZKMXMFMGQI-LBPRGKRZSA-N 0 0 348.453 3.137 50 0 EGAARN C[C@H](Cn1ccc2ccccc21)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000065470019 454572945 /nfs/dbraw/zinc/57/29/45/454572945.db2.gz MDHFYRBRFXSIOL-OAHLLOKOSA-N 0 0 345.406 3.041 50 0 EGAARN Cc1ncsc1CCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000065488257 454576152 /nfs/dbraw/zinc/57/61/52/454576152.db2.gz TVAZXOXVXFKXRE-ZDUSSCGKSA-N 0 0 340.452 3.447 50 0 EGAARN CSc1ccc2c(C)cc(NC[C@@H]3CCS(=O)(=O)C3)nc2c1 ZINC000065496545 454578046 /nfs/dbraw/zinc/57/80/46/454578046.db2.gz NEFISRCYDACECC-LBPRGKRZSA-N 0 0 336.482 3.112 50 0 EGAARN CN(C)c1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)cc1 ZINC000065503947 454579755 /nfs/dbraw/zinc/57/97/55/454579755.db2.gz RKZCDJOXUMPDHJ-HNNXBMFYSA-N 0 0 347.422 3.022 50 0 EGAARN CCOc1cccc([C@@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)c1O ZINC000065509037 454580461 /nfs/dbraw/zinc/58/04/61/454580461.db2.gz OFQJYPLKARXTGY-LBPRGKRZSA-N 0 0 327.384 3.256 50 0 EGAARN CC(=O)c1ccccc1NC(=O)CCN(C)[C@H](C)c1nccs1 ZINC000065509134 454580529 /nfs/dbraw/zinc/58/05/29/454580529.db2.gz GLIIEOSHXFHSSQ-GFCCVEGCSA-N 0 0 331.441 3.367 50 0 EGAARN CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccncc3)no2)CC1 ZINC000074457004 454586619 /nfs/dbraw/zinc/58/66/19/454586619.db2.gz NNJXWVVWQMJRRI-UHFFFAOYSA-N 0 0 344.415 3.321 50 0 EGAARN COc1cc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc(OC)c1OC ZINC000074705329 454622269 /nfs/dbraw/zinc/62/22/69/454622269.db2.gz RVJIKYCNYQIHSK-UHFFFAOYSA-N 0 0 341.367 3.149 50 0 EGAARN O=S(=O)(NCCOc1ccccc1)c1ccc(Cl)cc1Cl ZINC000107409592 454755259 /nfs/dbraw/zinc/75/52/59/454755259.db2.gz KFQOHCHSBODCFL-UHFFFAOYSA-N 0 0 346.235 3.351 50 0 EGAARN CCOc1ccc(OCC)c(S(=O)(=O)n2cnc3ccccc32)c1 ZINC000141188705 454827329 /nfs/dbraw/zinc/82/73/29/454827329.db2.gz WBGHJISHVZQLCO-UHFFFAOYSA-N 0 0 346.408 3.071 50 0 EGAARN Cc1ccc([C@H]2OC[C@]3(CO)CO[C@@H](c4ccc(C)cc4)N23)cc1 ZINC000168803748 454928026 /nfs/dbraw/zinc/92/80/26/454928026.db2.gz ZTDOUYKICCDXMV-ACDBMABISA-N 0 0 325.408 3.094 50 0 EGAARN O=C(c1ccc(OC[C@@H]2CCCO2)nc1)N1CCCc2ccccc21 ZINC000244975040 455278475 /nfs/dbraw/zinc/27/84/75/455278475.db2.gz HZDGGSWOTNUSKX-KRWDZBQOSA-N 0 0 338.407 3.232 50 0 EGAARN O=C(Nc1nc2ccccc2s1)c1ccc(O[C@@H]2CCOC2)nc1 ZINC000245130828 455279412 /nfs/dbraw/zinc/27/94/12/455279412.db2.gz UZLSPPMZJMTYBJ-GFCCVEGCSA-N 0 0 341.392 3.111 50 0 EGAARN O=C(Nc1cccc2cccnc21)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000182299145 455483107 /nfs/dbraw/zinc/48/31/07/455483107.db2.gz ZYKWZQSARDONMH-OAHLLOKOSA-N 0 0 335.363 3.050 50 0 EGAARN O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)[C@H]1CC[C@@H](O)CC1 ZINC000247743029 455642903 /nfs/dbraw/zinc/64/29/03/455642903.db2.gz PDTAQIYDHOJSLX-JQHSSLGASA-N 0 0 344.842 3.492 50 0 EGAARN O=C(NC1CC1)c1ccc(CN(Cc2cscn2)C2CC2)cc1 ZINC000193678412 455770230 /nfs/dbraw/zinc/77/02/30/455770230.db2.gz BHKLSNUQGHOBOT-UHFFFAOYSA-N 0 0 327.453 3.200 50 0 EGAARN Cc1cccc(C)c1NC(=O)c1ncn(-c2ccc(F)c(F)c2)n1 ZINC000252488945 455810190 /nfs/dbraw/zinc/81/01/90/455810190.db2.gz JCKJUNTVSVAIHW-UHFFFAOYSA-N 0 0 328.322 3.415 50 0 EGAARN CNC(=O)c1ccc(CN2CCC(Oc3cccc(Cl)c3)CC2)o1 ZINC000252506886 455816398 /nfs/dbraw/zinc/81/63/98/455816398.db2.gz WCOGJJDRRGPGKR-UHFFFAOYSA-N 0 0 348.830 3.336 50 0 EGAARN CCn1ccc(CN(Cc2ccc(OC)cc2)C[C@@H]2CCCO2)n1 ZINC000252507777 455817284 /nfs/dbraw/zinc/81/72/84/455817284.db2.gz WTSGJKKIISMJCS-IBGZPJMESA-N 0 0 329.444 3.093 50 0 EGAARN Cc1nc(C(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cs1 ZINC000252535929 455820093 /nfs/dbraw/zinc/82/00/93/455820093.db2.gz HFARAIJAKKBREM-CQSZACIVSA-N 0 0 339.420 3.293 50 0 EGAARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCO ZINC000252539203 455821426 /nfs/dbraw/zinc/82/14/26/455821426.db2.gz NWLDLRYVDJWGGX-UHFFFAOYSA-N 0 0 335.816 3.018 50 0 EGAARN Cc1csc(CCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1 ZINC000252551913 455821637 /nfs/dbraw/zinc/82/16/37/455821637.db2.gz ULEMVOUCKVBBHC-UHFFFAOYSA-N 0 0 339.424 3.132 50 0 EGAARN c1ccc(-c2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)nc1 ZINC000253414008 455841140 /nfs/dbraw/zinc/84/11/40/455841140.db2.gz WFHSGMJXGIABQI-UHFFFAOYSA-N 0 0 345.362 3.015 50 0 EGAARN CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253411382 455841429 /nfs/dbraw/zinc/84/14/29/455841429.db2.gz OOAVSDAXYRTROM-VVWQDTPRSA-N 0 0 345.483 3.225 50 0 EGAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@H]4CCCC(=O)[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000257345787 455896585 /nfs/dbraw/zinc/89/65/85/455896585.db2.gz JAZLLOAKPCQFBR-FXUTVAKWSA-N 0 0 344.451 3.161 50 0 EGAARN COC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1ccccn1 ZINC000220072651 456037734 /nfs/dbraw/zinc/03/77/34/456037734.db2.gz RSDPVIHVADQRBT-HNNXBMFYSA-N 0 0 338.329 3.147 50 0 EGAARN C[C@H](c1nccs1)N(C)C(=O)c1cc(-c2cccs2)nn1C ZINC000221228346 456042388 /nfs/dbraw/zinc/04/23/88/456042388.db2.gz ASIPFIACVFYXOW-SNVBAGLBSA-N 0 0 332.454 3.438 50 0 EGAARN COc1ccc2[nH]c(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2c1 ZINC000221264343 456042766 /nfs/dbraw/zinc/04/27/66/456042766.db2.gz MDEITRKPXMKRFN-MRXNPFEDSA-N 0 0 336.391 3.252 50 0 EGAARN Cc1ccc2nc(SCCC(=O)NC[C@H]3CCOC3)cc(C)c2c1 ZINC000222618182 456048136 /nfs/dbraw/zinc/04/81/36/456048136.db2.gz XKHHCVQLKPWQJP-OAHLLOKOSA-N 0 0 344.480 3.487 50 0 EGAARN Cc1nccn1CC[C@@H](NC(=O)c1cc(C)nc(C)n1)c1ccccc1 ZINC000222903604 456051678 /nfs/dbraw/zinc/05/16/78/456051678.db2.gz BDMJIZGJWVGKLP-GOSISDBHSA-N 0 0 349.438 3.160 50 0 EGAARN O=C(Cc1ccccc1C(F)(F)F)NCCCn1cc(Cl)cn1 ZINC000223145259 456054135 /nfs/dbraw/zinc/05/41/35/456054135.db2.gz RPRHTXOBXANSCD-UHFFFAOYSA-N 0 0 345.752 3.304 50 0 EGAARN CC(C)[C@@H](NC(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 ZINC000223236390 456055382 /nfs/dbraw/zinc/05/53/82/456055382.db2.gz TZYYJPHVUYQKTM-QGZVFWFLSA-N 0 0 325.416 3.053 50 0 EGAARN CSc1ccc(C(=O)NCc2nncn2C2CCCCC2)cc1 ZINC000223562674 456058647 /nfs/dbraw/zinc/05/86/47/456058647.db2.gz AKGFGPTWQHTKPK-UHFFFAOYSA-N 0 0 330.457 3.435 50 0 EGAARN CCn1ncnc1[C@H](NC(=O)c1scc2c1CCCC2)C1CC1 ZINC000223765973 456061341 /nfs/dbraw/zinc/06/13/41/456061341.db2.gz AAUPGQLKTFNWAB-CQSZACIVSA-N 0 0 330.457 3.119 50 0 EGAARN O=C(Nc1ccccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000225275927 456076363 /nfs/dbraw/zinc/07/63/63/456076363.db2.gz CDIVQMPIDLTNSA-UHFFFAOYSA-N 0 0 337.358 3.173 50 0 EGAARN O=C(NCc1cncc(-c2cccs2)c1)c1ccc2c(c1)OCO2 ZINC000225663864 456101740 /nfs/dbraw/zinc/10/17/40/456101740.db2.gz ASHXJCPMVPCGMJ-UHFFFAOYSA-N 0 0 338.388 3.469 50 0 EGAARN Cc1cccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)c1 ZINC000225658176 456102029 /nfs/dbraw/zinc/10/20/29/456102029.db2.gz WVWFIPIZWZYQMP-UHFFFAOYSA-N 0 0 328.393 3.129 50 0 EGAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)N1CCOCC1 ZINC000263588350 456178590 /nfs/dbraw/zinc/17/85/90/456178590.db2.gz SDPCXDAMOFTNSC-HXUWFJFHSA-N 0 0 334.419 3.480 50 0 EGAARN O=C(NCC1(O)CCCCC1)c1ccc(-c2ncccc2F)cc1 ZINC000426360091 457810372 /nfs/dbraw/zinc/81/03/72/457810372.db2.gz RGYQDHFGDZJRSP-UHFFFAOYSA-N 0 0 328.387 3.313 50 0 EGAARN COCc1cc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)[nH]n1 ZINC000426360485 457810745 /nfs/dbraw/zinc/81/07/45/457810745.db2.gz VZGIUNKAPNTACS-FQEVSTJZSA-N 0 0 339.439 3.074 50 0 EGAARN Cc1ncn(CCNC(=O)[C@@]2(c3ccccc3F)CC2(C)C)c1C ZINC000426414845 457826002 /nfs/dbraw/zinc/82/60/02/457826002.db2.gz VOHROMGAAHYQJO-IBGZPJMESA-N 0 0 329.419 3.123 50 0 EGAARN Cc1nnc(CN(C)C(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)o1 ZINC000426424168 457828726 /nfs/dbraw/zinc/82/87/26/457828726.db2.gz AJNFKGBBEHQBLR-UHFFFAOYSA-N 0 0 349.390 3.252 50 0 EGAARN CC(C)c1nc(CN(C)C(=O)Cc2nc3ccccc3[nH]2)cs1 ZINC000426435391 457830036 /nfs/dbraw/zinc/83/00/36/457830036.db2.gz KDVVLOFFVYSLBM-UHFFFAOYSA-N 0 0 328.441 3.344 50 0 EGAARN COc1cccc([C@@H]2CCCCN2C(=O)NCCCn2cccn2)c1 ZINC000426431151 457830408 /nfs/dbraw/zinc/83/04/08/457830408.db2.gz UPAHNVIZFLSJEH-SFHVURJKSA-N 0 0 342.443 3.219 50 0 EGAARN COc1ccc(-c2ccc(C(=O)N(C)C[C@H]3CCCCO3)cc2)cn1 ZINC000426477165 457838125 /nfs/dbraw/zinc/83/81/25/457838125.db2.gz GAEVKVMUZJSPLL-GOSISDBHSA-N 0 0 340.423 3.398 50 0 EGAARN C[C@H]1c2cc(F)ccc2CCN1C(=O)c1cnc(-c2ccccn2)nc1 ZINC000426477261 457838221 /nfs/dbraw/zinc/83/82/21/457838221.db2.gz SDCSSHULYPELGJ-ZDUSSCGKSA-N 0 0 348.381 3.437 50 0 EGAARN Cc1ccc(-c2cccc(C(=O)N[C@H]3CCN(C)C3=O)c2)cc1Cl ZINC000426489942 457842947 /nfs/dbraw/zinc/84/29/47/457842947.db2.gz AVSPSEZYORHNMR-KRWDZBQOSA-N 0 0 342.826 3.276 50 0 EGAARN Cn1cc(SCC(=O)NCc2cc(C3CC3)n[nH]2)c2ccccc21 ZINC000426544495 457852092 /nfs/dbraw/zinc/85/20/92/457852092.db2.gz TYQYSZBRAFHTFK-UHFFFAOYSA-N 0 0 340.452 3.187 50 0 EGAARN Cc1nnc([C@@H]2CCCN2C(=O)c2[nH]c3ccccc3c2Cl)[nH]1 ZINC000426545461 457852433 /nfs/dbraw/zinc/85/24/33/457852433.db2.gz ZKSKHDWYJMRXEO-LBPRGKRZSA-N 0 0 329.791 3.225 50 0 EGAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCOc2ccccc2C1 ZINC000426596661 457860387 /nfs/dbraw/zinc/86/03/87/457860387.db2.gz VLJGTTVPLNLXRO-UHFFFAOYSA-N 0 0 337.354 3.251 50 0 EGAARN CSC[C@H]1CCCN(C(=O)NCCCn2ccnc2C(C)C)C1 ZINC000426596633 457860874 /nfs/dbraw/zinc/86/08/74/457860874.db2.gz QNJBCNQZKKCILV-HNNXBMFYSA-N 0 0 338.521 3.181 50 0 EGAARN CCc1nnc(CNC(=O)[C@]2(c3ccccc3)CC23CCCC3)o1 ZINC000426615450 457863643 /nfs/dbraw/zinc/86/36/43/457863643.db2.gz KNTBGJKDNYLIQH-LJQANCHMSA-N 0 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/nfs/dbraw/zinc/33/39/36/459333936.db2.gz IHSOXMVRWSIPHN-UHFFFAOYSA-N 0 0 343.448 3.383 50 0 EGAARN CCn1cncc1CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000534577281 459333980 /nfs/dbraw/zinc/33/39/80/459333980.db2.gz NBYSIMLLLWZJEN-QGZVFWFLSA-N 0 0 330.407 3.479 50 0 EGAARN C[C@H](CNC(=O)N1CCC2(C=Cc3ccccc32)CC1)n1ccnc1 ZINC000534579777 459335488 /nfs/dbraw/zinc/33/54/88/459335488.db2.gz GOTXJIVSJFRQIV-MRXNPFEDSA-N 0 0 336.439 3.214 50 0 EGAARN CCOc1ccc(-c2cccc(C(=O)NCCSCC)c2)nn1 ZINC000534580304 459335816 /nfs/dbraw/zinc/33/58/16/459335816.db2.gz QFDUZEUSDRTQST-UHFFFAOYSA-N 0 0 331.441 3.025 50 0 EGAARN Cc1cc(C)n(CCCC(=O)NCCc2c[nH]c3c2cccc3C)n1 ZINC000534656007 459343411 /nfs/dbraw/zinc/34/34/11/459343411.db2.gz TZKNFEBLOPYBOS-UHFFFAOYSA-N 0 0 338.455 3.429 50 0 EGAARN CCc1nc(-c2ccc(C(=O)NCCc3cn[nH]c3)cc2)ccc1C ZINC000534662706 459344192 /nfs/dbraw/zinc/34/41/92/459344192.db2.gz IYULSZZUAMTBAM-UHFFFAOYSA-N 0 0 334.423 3.315 50 0 EGAARN Cc1cc(CNC(=O)N2CCCC[C@@H]2CCn2cccn2)cnc1C ZINC000584903687 459821407 /nfs/dbraw/zinc/82/14/07/459821407.db2.gz JQGYHVPBCLPCKT-GOSISDBHSA-N 0 0 341.459 3.049 50 0 EGAARN CCOc1ccc(CNCc2cnc(Br)cn2)cc1F ZINC000585136191 459828451 /nfs/dbraw/zinc/82/84/51/459828451.db2.gz VJLIVBVFGWQFBY-UHFFFAOYSA-N 0 0 340.196 3.067 50 0 EGAARN Cc1cccc(CCC(=O)N2CC[C@@H](Oc3cc(C)nc(C)n3)C2)c1 ZINC000585147490 459830782 /nfs/dbraw/zinc/83/07/82/459830782.db2.gz VRYANJXYSFDDCH-GOSISDBHSA-N 0 0 339.439 3.014 50 0 EGAARN Cc1cccc(CCC(=O)N2CC[C@H](Oc3cc(C)nc(C)n3)C2)c1 ZINC000585147491 459830999 /nfs/dbraw/zinc/83/09/99/459830999.db2.gz VRYANJXYSFDDCH-SFHVURJKSA-N 0 0 339.439 3.014 50 0 EGAARN O=C(NCc1ccc(-c2ccsc2)o1)C(=O)NCc1cccs1 ZINC000575609482 459981405 /nfs/dbraw/zinc/98/14/05/459981405.db2.gz CFQXSXPIABPQCO-UHFFFAOYSA-N 0 0 346.433 3.002 50 0 EGAARN O=C(NC[C@H](c1ccco1)n1cccn1)Nc1c(F)cccc1F ZINC000575614231 459984356 /nfs/dbraw/zinc/98/43/56/459984356.db2.gz PYVFELWWOQTUCY-CYBMUJFWSA-N 0 0 332.310 3.165 50 0 EGAARN 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ZINC000036235779 132391801 /nfs/dbraw/zinc/39/18/01/132391801.db2.gz IYUTUXMZXGKSLI-UHFFFAOYSA-N 0 0 334.423 3.025 50 0 EGAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(C)C3=O ZINC000004837891 292026672 /nfs/dbraw/zinc/02/66/72/292026672.db2.gz NYSYRODCIRIJJU-QGZVFWFLSA-N 0 0 335.359 3.290 50 0 EGAARN COc1cc2c(c3oc(=O)c4c(c13)CCCC4)[C@@H](O)CC(C)(C)O2 ZINC000002161079 286252549 /nfs/dbraw/zinc/25/25/49/286252549.db2.gz HYMYABCMHMJYMG-LBPRGKRZSA-N 0 0 330.380 3.275 50 0 biogenic EGAARN Cc1ccc([C@H]2C[C@@H](c3ccc4c(c3)OCO4)Nc3ncnn32)cc1 ZINC000000222000 292277017 /nfs/dbraw/zinc/27/70/17/292277017.db2.gz SZYLRRZAGQPCMO-JKSUJKDBSA-N 0 0 334.379 3.462 50 0 EGAARN Cc1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)c(C)c3)cc2c1 ZINC000004484139 292400717 /nfs/dbraw/zinc/40/07/17/292400717.db2.gz WPGDICSWHHVZGF-UHFFFAOYSA-N 0 0 332.352 3.382 50 0 EGAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccoc2)c(C)c1 ZINC000020606724 274750405 /nfs/dbraw/zinc/75/04/05/274750405.db2.gz LXSVJFYUXHHQTD-QGZVFWFLSA-N 0 0 349.394 3.416 50 0 EGAARN O=C1COc2ccc(Cl)cc2CN1c1ccc2c(c1)OCCO2 ZINC000065184305 275019360 /nfs/dbraw/zinc/01/93/60/275019360.db2.gz RYLVNUDJCJYQIY-UHFFFAOYSA-N 0 0 331.755 3.037 50 0 EGAARN OCCN1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 ZINC000067854842 275047367 /nfs/dbraw/zinc/04/73/67/275047367.db2.gz OSMYSFQPKMAPIW-UHFFFAOYSA-N 0 0 341.432 3.461 50 0 EGAARN Cc1c(NC(=O)[C@H](C)n2nc(C(F)F)c(Cl)c2C)cnn1C ZINC000002780366 452723182 /nfs/dbraw/zinc/72/31/82/452723182.db2.gz VOOBPJCSDUNKOZ-QMMMGPOBSA-N 0 0 331.754 3.024 50 0 EGAARN Cc1ccc(O)c(NC(=O)COc2ccc(Br)cc2)c1 ZINC000002879701 452732100 /nfs/dbraw/zinc/73/21/00/452732100.db2.gz MIRGJNVRQNRIOT-UHFFFAOYSA-N 0 0 336.185 3.481 50 0 EGAARN CC(C)N1C[C@@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O ZINC000082109735 275960675 /nfs/dbraw/zinc/96/06/75/275960675.db2.gz WGKYICGDISWHBA-KRWDZBQOSA-N 0 0 339.842 3.492 50 0 EGAARN CCOC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000000275897 276302957 /nfs/dbraw/zinc/30/29/57/276302957.db2.gz KUFGVVRRNFOLBP-UHFFFAOYSA-N 0 0 325.246 3.185 50 0 EGAARN CCOC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)nc1C ZINC000000474778 276305126 /nfs/dbraw/zinc/30/51/26/276305126.db2.gz HFJXOMIFNVYEHY-STQMWFEESA-N 0 0 330.409 3.370 50 0 EGAARN CNC(=S)NN=c1nc(-c2ccccc2)c2cc(Cl)ccc2[nH]1 ZINC000000287620 277262714 /nfs/dbraw/zinc/26/27/14/277262714.db2.gz AXZVUUCMSFMHFC-UHFFFAOYSA-N 0 0 343.843 3.371 50 0 EGAARN CNc1ccccc1C(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C ZINC000092078367 277303410 /nfs/dbraw/zinc/30/34/10/277303410.db2.gz UACHKXFLDBBTMO-CQSZACIVSA-N 0 0 347.422 3.380 50 0 EGAARN COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 ZINC000004971970 277865249 /nfs/dbraw/zinc/86/52/49/277865249.db2.gz GPJKPIAOSOOMRH-UHFFFAOYSA-N 0 0 346.390 3.197 50 0 EGAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(N)=S)cc1 ZINC000021658559 277935144 /nfs/dbraw/zinc/93/51/44/277935144.db2.gz CQAKOMMJBMSYNI-QGZVFWFLSA-N 0 0 325.437 3.398 50 0 EGAARN COc1cccc2c1OCC(=O)N(c1ccc(Br)cc1)C2 ZINC000065184485 278038616 /nfs/dbraw/zinc/03/86/16/278038616.db2.gz 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279348310 /nfs/dbraw/zinc/34/83/10/279348310.db2.gz YNTIAOYPCFWLQG-HNNXBMFYSA-N 0 0 325.397 3.030 50 0 EGAARN O=C(c1cccs1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000019924637 280216932 /nfs/dbraw/zinc/21/69/32/280216932.db2.gz JNODKTMLGWTJTL-UHFFFAOYSA-N 0 0 341.358 3.124 50 0 EGAARN Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccncc4)nc3c12 ZINC000009341946 280223881 /nfs/dbraw/zinc/22/38/81/280223881.db2.gz KBHKGCDNYQOEPB-UHFFFAOYSA-N 0 0 347.407 3.204 50 0 EGAARN O=Cc1ccc(Br)c(F)c1I ZINC000098210689 280333958 /nfs/dbraw/zinc/33/39/58/280333958.db2.gz ILBZFXWPHIYERZ-UHFFFAOYSA-N 0 0 328.906 3.005 50 0 EGAARN Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3ccccc3[nH]2)n1 ZINC000000201679 280620650 /nfs/dbraw/zinc/62/06/50/280620650.db2.gz BWFLLHCPTIXADE-UHFFFAOYSA-N 0 0 335.342 3.448 50 0 EGAARN Cc1ccc(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1 ZINC000005139319 280846651 /nfs/dbraw/zinc/84/66/51/280846651.db2.gz KCUWCPNYLDVCMB-UHFFFAOYSA-N 0 0 334.354 3.078 50 0 EGAARN CCC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)c3ccccc3N(C)C2=O)C1 ZINC000101617403 282032426 /nfs/dbraw/zinc/03/24/26/282032426.db2.gz FZLYWLDMWONEHF-RCDCFZSISA-N 0 0 329.440 3.272 50 0 EGAARN COc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000000367610 295077014 /nfs/dbraw/zinc/07/70/14/295077014.db2.gz GPUFWGJVSROVJM-JTQLQIEISA-N 0 0 348.262 3.021 50 0 EGAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)c(=N)oc21 ZINC000067341930 295344111 /nfs/dbraw/zinc/34/41/11/295344111.db2.gz AVDDFYZXLILGNN-UHFFFAOYSA-N 0 0 329.377 3.062 50 0 EGAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2F)C1 ZINC000057355066 297354576 /nfs/dbraw/zinc/35/45/76/297354576.db2.gz MOUGECLCMZJRKQ-QHHYFVSCSA-N 0 0 346.446 3.240 50 0 EGAARN Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000095370966 301260404 /nfs/dbraw/zinc/26/04/04/301260404.db2.gz XREAOEKPJBPZTC-GOSISDBHSA-N 0 0 329.419 3.099 50 0 EGAARN Cc1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C1C(=O)OCC1=N2 ZINC000020086589 302532519 /nfs/dbraw/zinc/53/25/19/302532519.db2.gz KDQMHOYBOONLKP-LBPRGKRZSA-N 0 0 335.285 3.105 50 0 EGAARN CC(C)n1cc(NC(=O)CCSc2ccc3c(c2)OCCO3)cn1 ZINC000078107726 307416396 /nfs/dbraw/zinc/41/63/96/307416396.db2.gz COWXITPOBFXDRV-UHFFFAOYSA-N 0 0 347.440 3.356 50 0 EGAARN CCc1nn(C)c(Cl)c1CNCc1noc(-c2cccs2)n1 ZINC000294697874 308247055 /nfs/dbraw/zinc/24/70/55/308247055.db2.gz BCHGNPFYGLSCNP-UHFFFAOYSA-N 0 0 337.836 3.037 50 0 EGAARN O=C(Cc1ccsc1)N1C[C@H](c2ncon2)[C@H](c2ccccc2)C1 ZINC000238863557 455259655 /nfs/dbraw/zinc/25/96/55/455259655.db2.gz LFXQRMWAYBMQIG-HOTGVXAUSA-N 0 0 339.420 3.083 50 0 EGAARN Cc1cc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2O)cc(C)c1Cl ZINC000243902148 455273755 /nfs/dbraw/zinc/27/37/55/455273755.db2.gz BHCAOJHGWOPZTI-VNQPRFMTSA-N 0 0 339.863 3.486 50 0 EGAARN Cc1cc(C)cc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000000080189 452501047 /nfs/dbraw/zinc/50/10/47/452501047.db2.gz BQUQUUFIWRIRSP-HNNXBMFYSA-N 0 0 346.452 3.097 50 0 EGAARN CN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000000101734 452507639 /nfs/dbraw/zinc/50/76/39/452507639.db2.gz QBWFMAFOUIMMOD-UHFFFAOYSA-N 0 0 349.228 3.097 50 0 EGAARN CC[C@H](C)NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000000107031 452508180 /nfs/dbraw/zinc/50/81/80/452508180.db2.gz NNIIJBBLKLLOQE-WPPNPWJKSA-N 0 0 338.713 3.425 50 0 EGAARN O=C(Nc1ccccc1)c1cn2nc(-c3ccccc3)c(=O)nc2s1 ZINC000000113508 452511054 /nfs/dbraw/zinc/51/10/54/452511054.db2.gz BHSMTJTYHCTGHV-UHFFFAOYSA-N 0 0 348.387 3.070 50 0 EGAARN Cc1ccc(N2C(=O)C(Cl)=C(N(C)c3ccccc3)C2=O)cc1 ZINC000000121659 452513917 /nfs/dbraw/zinc/51/39/17/452513917.db2.gz AJDGERNCLKIXFC-UHFFFAOYSA-N 0 0 326.783 3.455 50 0 EGAARN O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1c1ccccc1Cl ZINC000000142139 452518698 /nfs/dbraw/zinc/51/86/98/452518698.db2.gz NXPFNCYYWJJLQD-UHFFFAOYSA-N 0 0 349.173 3.481 50 0 EGAARN CN(C)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000000146737 452521109 /nfs/dbraw/zinc/52/11/09/452521109.db2.gz JSYOYMWSMMVNAZ-INIZCTEOSA-N 0 0 341.436 3.194 50 0 EGAARN COC(=O)c1ccccc1Sc1c(C=O)c(C(F)(F)F)nn1C ZINC000000168550 452525460 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ZINC000000183619 281236182 /nfs/dbraw/zinc/23/61/82/281236182.db2.gz KHLCDLCPYSDVIS-KRWDZBQOSA-N 0 0 337.448 3.427 50 0 EGAARN CN1c2ccccc2[C@]2(SCC(=O)N2c2cccc(Cl)c2)C1=O ZINC000006996904 290322025 /nfs/dbraw/zinc/32/20/25/290322025.db2.gz KSOMQXMJZDTXBD-KRWDZBQOSA-N 0 0 344.823 3.249 50 0 EGAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccsc1)CC(=O)N2 ZINC000035373081 293689156 /nfs/dbraw/zinc/68/91/56/293689156.db2.gz ZKBOOTDZDDIDJD-CYBMUJFWSA-N 0 0 339.424 3.123 50 0 EGAARN Cc1nsc2c1[C@@H](c1cc3ccc(C)cc3[nH]c1=O)CC(=O)N2 ZINC000065530550 294010322 /nfs/dbraw/zinc/01/03/22/294010322.db2.gz XSHVDSKJXWDKMY-LLVKDONJSA-N 0 0 325.393 3.076 50 0 EGAARN NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000000184451 295174794 /nfs/dbraw/zinc/17/47/94/295174794.db2.gz ZAQMSYLPAYCAHT-KOLCDFICSA-N 0 0 344.724 3.296 50 0 EGAARN Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1cccc2nsnc21 ZINC000065383235 303043104 /nfs/dbraw/zinc/04/31/04/303043104.db2.gz WNEWHWHXJWDZPM-SNVBAGLBSA-N 0 0 341.440 3.196 50 0 EGAARN CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1cc(OC)ccc1OC ZINC000013946543 453493528 /nfs/dbraw/zinc/49/35/28/453493528.db2.gz OCAFHHCLBCFKGB-CHWSQXEVSA-N 0 0 329.462 3.292 50 0 EGAARN CC(=O)Nc1ccc2nc(NC(=O)CCCn3cccc3)sc2c1 ZINC000155940825 307824095 /nfs/dbraw/zinc/82/40/95/307824095.db2.gz MAVRKSISXPIPQS-UHFFFAOYSA-N 0 0 342.424 3.475 50 0 EGAARN Cc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000096306367 454317834 /nfs/dbraw/zinc/31/78/34/454317834.db2.gz CPGPSAVKHRKLCV-UHFFFAOYSA-N 0 0 328.315 3.484 50 0 EGAARN COc1c(C)cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1C ZINC000231427051 456141026 /nfs/dbraw/zinc/14/10/26/456141026.db2.gz LFUWVYZNKAZMAP-VXGBXAGGSA-N 0 0 325.474 3.287 50 0 EGAARN Cc1cc(Br)c(S(=O)(=O)Oc2ccccn2)cc1C ZINC000231416171 456141671 /nfs/dbraw/zinc/14/16/71/456141671.db2.gz MMOYXZBSWKSEEA-UHFFFAOYSA-N 0 0 342.214 3.229 50 0 EGAARN COc1ccccc1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 ZINC000238916141 455260339 /nfs/dbraw/zinc/26/03/39/455260339.db2.gz SNUNFSOSAZSECI-OAHLLOKOSA-N 0 0 349.390 3.375 50 0 EGAARN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)[C@H]2CCCO2)cc(C)c1Cl ZINC000239203276 455261144 /nfs/dbraw/zinc/26/11/44/455261144.db2.gz SBKIYRXXJPSPIB-GZBFAFLISA-N 0 0 325.836 3.408 50 0 EGAARN O=C(Nc1ccc2c[nH]nc2c1)c1cccnc1O[C@@H]1CCSC1 ZINC000239846366 455262816 /nfs/dbraw/zinc/26/28/16/455262816.db2.gz LCLJGEICPABVCV-CYBMUJFWSA-N 0 0 340.408 3.095 50 0 EGAARN CC(C)Cc1cc(C(=O)NCCc2nc3c(s2)CCCC3)no1 ZINC000244899418 455277061 /nfs/dbraw/zinc/27/70/61/455277061.db2.gz ZJOOSPNUYSBAQP-UHFFFAOYSA-N 0 0 333.457 3.181 50 0 EGAARN O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)CCCCC3 ZINC000000085505 452502699 /nfs/dbraw/zinc/50/26/99/452502699.db2.gz FQUZHUFNWJHMKT-UHFFFAOYSA-N 0 0 336.420 3.364 50 0 EGAARN O=C(CSc1nnc2sc3ccccc3n12)N1CCCCC1 ZINC000000091822 452503479 /nfs/dbraw/zinc/50/34/79/452503479.db2.gz ZAMFFJXMWMFWBN-UHFFFAOYSA-N 0 0 332.454 3.049 50 0 EGAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc3c(c1)CCCC3)C(=O)N2 ZINC000000106832 452509162 /nfs/dbraw/zinc/50/91/62/452509162.db2.gz HHCZVXAHTSZMPQ-NRFANRHFSA-N 0 0 335.403 3.287 50 0 EGAARN CC1=C(C)SC(=C2Sc3c(n(C)c(=O)n(C)c3=O)S2)S1 ZINC000000109875 452510220 /nfs/dbraw/zinc/51/02/20/452510220.db2.gz ZHYZLWFRVZJFOG-UHFFFAOYSA-N 0 0 344.508 3.140 50 0 EGAARN CN(C(=O)C(C)(C)Oc1cc(C(F)(F)F)n(C)n1)c1ccccc1 ZINC000000132519 452514781 /nfs/dbraw/zinc/51/47/81/452514781.db2.gz MWNGUYHEPCXLGQ-UHFFFAOYSA-N 0 0 341.333 3.259 50 0 EGAARN CCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000000145843 452520834 /nfs/dbraw/zinc/52/08/34/452520834.db2.gz MCWGSCAKJGEKDT-ZDUSSCGKSA-N 0 0 343.379 3.278 50 0 EGAARN Cc1cc(=O)oc2cc(OCC(=O)NC3CCCCCC3)ccc12 ZINC000000146247 452521124 /nfs/dbraw/zinc/52/11/24/452521124.db2.gz MOEGUPHKANTMQX-UHFFFAOYSA-N 0 0 329.396 3.319 50 0 EGAARN COC(=O)C1=C(Nc2ccccc2NC(=O)c2ccco2)CSC1 ZINC000000148048 452521779 /nfs/dbraw/zinc/52/17/79/452521779.db2.gz DRUIRVRPXBBZBW-UHFFFAOYSA-N 0 0 344.392 3.118 50 0 EGAARN O=C1c2ccc(Br)cc2C(=O)N1CNc1ccc(F)cc1 ZINC000000175267 452527282 /nfs/dbraw/zinc/52/72/82/452527282.db2.gz ABFPKTQPURZDRN-UHFFFAOYSA-N 0 0 349.159 3.254 50 0 EGAARN O=C1c2ccccc2C(=O)N1CNc1ccc(Cc2ccncc2)cc1 ZINC000000175265 452527658 /nfs/dbraw/zinc/52/76/58/452527658.db2.gz IBVMEDSZEJQUHN-UHFFFAOYSA-N 0 0 343.386 3.338 50 0 EGAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1 ZINC000000182977 452528478 /nfs/dbraw/zinc/52/84/78/452528478.db2.gz PQJDGLRVKOWLNT-MRXNPFEDSA-N 0 0 342.420 3.162 50 0 EGAARN O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCCCC1 ZINC000000188652 452531020 /nfs/dbraw/zinc/53/10/20/452531020.db2.gz USJVWHCKAIJJAU-UHFFFAOYSA-N 0 0 347.418 3.076 50 0 EGAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1 ZINC000000193571 452531564 /nfs/dbraw/zinc/53/15/64/452531564.db2.gz TYKAAFSIYGTIHI-GOSISDBHSA-N 0 0 336.391 3.400 50 0 EGAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1 ZINC000000202291 452533270 /nfs/dbraw/zinc/53/32/70/452533270.db2.gz MKEPOBYUJRMTDS-OAHLLOKOSA-N 0 0 348.399 3.039 50 0 EGAARN CCOc1ccccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000000199350 452533808 /nfs/dbraw/zinc/53/38/08/452533808.db2.gz PDVIMROEXJWKNC-LFIBNONCSA-N 0 0 340.354 3.317 50 0 EGAARN CCc1noc(C)c1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000000204449 452535271 /nfs/dbraw/zinc/53/52/71/452535271.db2.gz PCCPJYQOYUWIAX-UHFFFAOYSA-N 0 0 344.396 3.325 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(C)s1 ZINC000000237129 452543445 /nfs/dbraw/zinc/54/34/45/452543445.db2.gz FOUIQMAMPMLMEB-UHFFFAOYSA-N 0 0 329.834 3.239 50 0 EGAARN CN1c2ccccc2[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000000257329 452548106 /nfs/dbraw/zinc/54/81/06/452548106.db2.gz PTELVEWFKNBSLQ-OAQYLSRUSA-N 0 0 335.403 3.002 50 0 EGAARN O=c1oc2cc(Br)ccc2n1CSC1=NCCS1 ZINC000000258091 452548145 /nfs/dbraw/zinc/54/81/45/452548145.db2.gz FVOTWTZAEDTKJR-UHFFFAOYSA-N 0 0 345.243 3.151 50 0 EGAARN COc1cc(/C=C/C(=O)N2CCc3ccccc32)cc(OC)c1OC ZINC000000303187 452558235 /nfs/dbraw/zinc/55/82/35/452558235.db2.gz WNWZNGFYKWEGME-CMDGGOBGSA-N 0 0 339.391 3.315 50 0 EGAARN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000000309769 452560457 /nfs/dbraw/zinc/56/04/57/452560457.db2.gz OFMBDHFBVSMEJE-OAHLLOKOSA-N 0 0 328.412 3.009 50 0 EGAARN Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 ZINC000000312185 452560776 /nfs/dbraw/zinc/56/07/76/452560776.db2.gz NGNCWLHIWWKRNI-UHFFFAOYSA-N 0 0 348.815 3.459 50 0 EGAARN COc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000000311641 452561127 /nfs/dbraw/zinc/56/11/27/452561127.db2.gz VZQNSXGYFMBFKI-UHFFFAOYSA-N 0 0 330.815 3.311 50 0 EGAARN Cc1cc(OCC(=O)NCc2ccco2)cc(C)c1Br ZINC000000312037 452561256 /nfs/dbraw/zinc/56/12/56/452561256.db2.gz RONVWHFPTSURIA-UHFFFAOYSA-N 0 0 338.201 3.354 50 0 EGAARN Cc1c(F)cccc1NC(=O)CSCC(=O)Nc1ccccc1 ZINC000000316854 452562795 /nfs/dbraw/zinc/56/27/95/452562795.db2.gz OVQFSLFFAIGUOG-UHFFFAOYSA-N 0 0 332.400 3.445 50 0 EGAARN COc1ccc(OC)c(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1 ZINC000000340165 452566087 /nfs/dbraw/zinc/56/60/87/452566087.db2.gz VNLDJWKRPVQIFO-GDNBJRDFSA-N 0 0 327.311 3.187 50 0 EGAARN Cc1c(NC(=O)c2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C ZINC000000355492 452570478 /nfs/dbraw/zinc/57/04/78/452570478.db2.gz QORZXGWRKBHGIU-UHFFFAOYSA-N 0 0 347.827 3.452 50 0 EGAARN CCOC(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 ZINC000000362663 452572494 /nfs/dbraw/zinc/57/24/94/452572494.db2.gz FIOXEXVBKDVWSN-UHFFFAOYSA-N 0 0 349.184 3.273 50 0 EGAARN Cc1ccc(Cl)cc1NC(=O)c1nn(C)cc1Br ZINC000000373781 452574775 /nfs/dbraw/zinc/57/47/75/452574775.db2.gz IZBMWXGNDNIDSI-UHFFFAOYSA-N 0 0 328.597 3.397 50 0 EGAARN Cc1ccc(N2C[C@H](C(=O)NCc3cccs3)CC2=O)cc1C ZINC000000382580 452576089 /nfs/dbraw/zinc/57/60/89/452576089.db2.gz KDMIHIOGXWKPGX-CQSZACIVSA-N 0 0 328.437 3.034 50 0 aggregator EGAARN CCc1ccc([C@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)cc1 ZINC000000385980 452578440 /nfs/dbraw/zinc/57/84/40/452578440.db2.gz AEBRYJSABPKYME-GOSISDBHSA-N 0 0 328.437 3.360 50 0 EGAARN COc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000000451196 452594554 /nfs/dbraw/zinc/59/45/54/452594554.db2.gz BSNGPKMPLDUIPI-UHFFFAOYSA-N 0 0 334.828 3.404 50 0 EGAARN CC(C)C(=O)Nc1cccc(C(=O)NCCc2ccc(F)cc2)c1 ZINC000000462934 452598675 /nfs/dbraw/zinc/59/86/75/452598675.db2.gz AAJNBEVYJFIJCU-UHFFFAOYSA-N 0 0 328.387 3.393 50 0 EGAARN CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1C(N)=O ZINC000000476775 452603811 /nfs/dbraw/zinc/60/38/11/452603811.db2.gz JMYYXVFHHZWQCG-ZIAGYGMSSA-N 0 0 328.437 3.460 50 0 EGAARN O=C(NC(=S)N1CCCC[C@@H]1c1cccnc1)c1cccs1 ZINC000000488671 452606339 /nfs/dbraw/zinc/60/63/39/452606339.db2.gz NZVSQSDQQMNFPJ-CYBMUJFWSA-N 0 0 331.466 3.385 50 0 biogenic EGAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000000496600 452608293 /nfs/dbraw/zinc/60/82/93/452608293.db2.gz QFUNXFFTEYNVED-XBXARRHUSA-N 0 0 327.336 3.084 50 0 EGAARN COc1cc(C(=S)N2CCN(c3ccccc3F)CC2)ccc1O ZINC000000515510 452611893 /nfs/dbraw/zinc/61/18/93/452611893.db2.gz FKQDJXNHUMUIQI-UHFFFAOYSA-N 0 0 346.427 3.038 50 0 EGAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 ZINC000000525229 452614279 /nfs/dbraw/zinc/61/42/79/452614279.db2.gz KUGLZPJAQPMLDV-JKSUJKDBSA-N 0 0 339.374 3.154 50 0 EGAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)Nc2nc(N)nn21 ZINC000000532610 452616706 /nfs/dbraw/zinc/61/67/06/452616706.db2.gz YKLFZDHYFDWBPA-JKSUJKDBSA-N 0 0 335.411 3.324 50 0 EGAARN COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000000542020 452617427 /nfs/dbraw/zinc/61/74/27/452617427.db2.gz LCUAWMHPRGWZEY-LBPRGKRZSA-N 0 0 328.796 3.058 50 0 EGAARN Fc1ccc(-c2nc3c4cnn(Cc5ccccc5)c4ncn3n2)cc1 ZINC000000538410 452617743 /nfs/dbraw/zinc/61/77/43/452617743.db2.gz VWMUHEROJGQUIS-UHFFFAOYSA-N 0 0 344.353 3.328 50 0 EGAARN Clc1ccc(-n2ncc3c4nc(-c5ccco5)nn4cnc32)cc1 ZINC000000541926 452617776 /nfs/dbraw/zinc/61/77/76/452617776.db2.gz UEXUHORZBZGBRL-UHFFFAOYSA-N 0 0 336.742 3.377 50 0 EGAARN CCOc1ccccc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000000539784 452618464 /nfs/dbraw/zinc/61/84/64/452618464.db2.gz SREPIKKDHAWTML-IBGZPJMESA-N 0 0 325.364 3.196 50 0 EGAARN COC(=O)c1cc(NC(=O)c2ccc(C)cc2C)cc(C(=O)OC)c1 ZINC000000588430 452629709 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/nfs/dbraw/zinc/20/75/70/454207570.db2.gz FSCZUHJKCUTPBI-SFHVURJKSA-N 0 0 344.422 3.389 50 0 EGAARN c1cn(CCSc2c[nH]nn2)c(-c2ccc([C@@H]3CCCO3)s2)n1 ZINC000071589700 454208718 /nfs/dbraw/zinc/20/87/18/454208718.db2.gz HCFRLZCBXKLSPK-NSHDSACASA-N 0 0 347.469 3.374 50 0 EGAARN COc1ccc(-c2nc(CN(C)Cc3ncc[nH]3)c(C)o2)c(F)c1 ZINC000071589666 454209368 /nfs/dbraw/zinc/20/93/68/454209368.db2.gz AEKCWHGANMPOBO-UHFFFAOYSA-N 0 0 330.363 3.153 50 0 EGAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)Cc3ccccc3O)c2)n1 ZINC000071638796 454210181 /nfs/dbraw/zinc/21/01/81/454210181.db2.gz HYACYBKAQAVBFO-UHFFFAOYSA-N 0 0 349.434 3.396 50 0 EGAARN Cc1nnc(CCC(=O)N2CCC[C@H](CCc3ccccc3C)C2)[nH]1 ZINC000071735792 454211347 /nfs/dbraw/zinc/21/13/47/454211347.db2.gz JTEYXBZRODTRTF-QGZVFWFLSA-N 0 0 340.471 3.226 50 0 EGAARN CSc1ccc(C(=O)[C@H]2CCCN(CC(=O)N(C)C(C)C)C2)cc1 ZINC000071749102 454212689 /nfs/dbraw/zinc/21/26/89/454212689.db2.gz YDKICABGOZQWCL-INIZCTEOSA-N 0 0 348.512 3.170 50 0 EGAARN CCn1c2ccccc2c2cc(-c3nccn3C(CO)CO)ccc21 ZINC000071749301 454213364 /nfs/dbraw/zinc/21/33/64/454213364.db2.gz CUMHSGNHUMVOSB-UHFFFAOYSA-N 0 0 335.407 3.204 50 0 EGAARN CCCn1ncc(CN2CCO[C@@H](Cc3cccc(OC)c3)C2)c1C ZINC000071748209 454213489 /nfs/dbraw/zinc/21/34/89/454213489.db2.gz MSFHEZWGXWWLEN-FQEVSTJZSA-N 0 0 343.471 3.054 50 0 EGAARN Cc1cc2c(ncn([C@H](C)[C@H]3COc4ccccc4O3)c2=O)s1 ZINC000071762431 454214949 /nfs/dbraw/zinc/21/49/49/454214949.db2.gz PMJVWDMYROWNNX-IAQYHMDHSA-N 0 0 328.393 3.167 50 0 EGAARN CC(C)NC(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071759640 454215150 /nfs/dbraw/zinc/21/51/50/454215150.db2.gz DMYVWRHPYXSBKR-NRFANRHFSA-N 0 0 336.435 3.058 50 0 EGAARN COc1ccc(OCCNC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000046085602 454215481 /nfs/dbraw/zinc/21/54/81/454215481.db2.gz XBNYVFNAETUUQS-UHFFFAOYSA-N 0 0 344.392 3.221 50 0 EGAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCC2(CCCO2)CC1 ZINC000071765584 454216683 /nfs/dbraw/zinc/21/66/83/454216683.db2.gz DGLCPFLHBIHOHI-UHFFFAOYSA-N 0 0 325.412 3.170 50 0 EGAARN Cc1ccc2nc(SCc3cccc(Cl)c3)n(N)c(=O)c2c1 ZINC000071768872 454217282 /nfs/dbraw/zinc/21/72/82/454217282.db2.gz VSIGTIUCQGWJPI-UHFFFAOYSA-N 0 0 331.828 3.364 50 0 EGAARN Cc1nc(C(C)C)c(-c2nn3c(nnc3-c3cnn(C)c3)s2)s1 ZINC000095473910 454220134 /nfs/dbraw/zinc/22/01/34/454220134.db2.gz DZTRIHXWIUGNBD-UHFFFAOYSA-N 0 0 345.457 3.142 50 0 EGAARN CC(C)n1c(CNC(=O)Cc2ccc3c(c2)OCC3)nc2ccccc21 ZINC000095478811 454221018 /nfs/dbraw/zinc/22/10/18/454221018.db2.gz FRXMHFXHJZBJTE-UHFFFAOYSA-N 0 0 349.434 3.411 50 0 EGAARN C[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1nc(-c2ccncc2)no1 ZINC000095501825 454222452 /nfs/dbraw/zinc/22/24/52/454222452.db2.gz WGAGGSAKOVTJTM-LBPRGKRZSA-N 0 0 347.378 3.114 50 0 EGAARN CCCn1cc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)nn1 ZINC000095503924 454223725 /nfs/dbraw/zinc/22/37/25/454223725.db2.gz MKGANHUIIKHXMJ-UHFFFAOYSA-N 0 0 337.427 3.281 50 0 EGAARN C[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1ccc(-n2cncn2)cc1 ZINC000095506708 454224476 /nfs/dbraw/zinc/22/44/76/454224476.db2.gz 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/nfs/dbraw/zinc/25/84/69/454258469.db2.gz YJCDUKINMOSESI-GOSISDBHSA-N 0 0 341.407 3.434 50 0 EGAARN O=C(CSC12CC3CC(CC(C3)C1)C2)N1CCCn2cncc2C1 ZINC000072154312 454273092 /nfs/dbraw/zinc/27/30/92/454273092.db2.gz IUQMAXAJOVCPQV-UHFFFAOYSA-N 0 0 345.512 3.317 50 0 EGAARN Cc1nc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)sc1C ZINC000072239361 454278226 /nfs/dbraw/zinc/27/82/26/454278226.db2.gz SVSAXDJTLUONLM-RISCZKNCSA-N 0 0 349.481 3.370 50 0 EGAARN COC(=O)N1CCc2ccc(NC(=O)/C=C/c3ccco3)cc2C1 ZINC000096096240 454281046 /nfs/dbraw/zinc/28/10/46/454281046.db2.gz LUOAOSZKIVSSAS-VOTSOKGWSA-N 0 0 326.352 3.056 50 0 EGAARN O=C(c1ccco1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096589 454281438 /nfs/dbraw/zinc/28/14/38/454281438.db2.gz CTXPSPNZROKWCT-UHFFFAOYSA-N 0 0 329.381 3.411 50 0 EGAARN CO[C@H](CNC(=O)c1ccc2nsnc2c1)c1ccccc1C ZINC000096104968 454283448 /nfs/dbraw/zinc/28/34/48/454283448.db2.gz LNYSDSKALWBGHQ-MRXNPFEDSA-N 0 0 327.409 3.117 50 0 EGAARN CCOc1ccc(NC(=O)NC2CCOCC2)cc1-n1cccc1 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/nfs/dbraw/zinc/24/23/12/210242312.db2.gz NRJVSDZLNWLWKL-UHFFFAOYSA-N 0 0 349.456 3.440 50 0 EGAARN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000004660776 210239390 /nfs/dbraw/zinc/23/93/90/210239390.db2.gz VAFUQOCSMGMFFD-UHFFFAOYSA-N 0 0 337.372 3.112 50 0 EGAARN COc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(O)cc2)cc1 ZINC000004653768 210238578 /nfs/dbraw/zinc/23/85/78/210238578.db2.gz DDKGQXZLARIUDF-CYBMUJFWSA-N 0 0 327.380 3.241 50 0 EGAARN CCc1ccc(NC(=O)C[C@@H]2Cn3c4ccccc4nc3NC2=O)cc1 ZINC000169681461 529676711 /nfs/dbraw/zinc/67/67/11/529676711.db2.gz YMUWCYYCWGEDNO-CQSZACIVSA-N 0 0 348.406 3.196 50 0 EGAARN CCCCN(CCCC)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000004600145 210231108 /nfs/dbraw/zinc/23/11/08/210231108.db2.gz YRDNEENPWZJPDS-UHFFFAOYSA-N 0 0 326.462 3.236 50 0 EGAARN Cc1ccc(CNC(=O)CCC(=O)N[C@H](C)CCc2ccccc2)o1 ZINC000004592173 210228956 /nfs/dbraw/zinc/22/89/56/210228956.db2.gz UYSNRXAOWVLFJV-OAHLLOKOSA-N 0 0 342.439 3.122 50 0 EGAARN COc1ccc(OC)c(N2C(=S)N=NC2Cc2ccccc2)c1 ZINC000004575498 210225237 /nfs/dbraw/zinc/22/52/37/210225237.db2.gz QZNGOLZTWXNCJL-UHFFFAOYSA-N 0 0 327.409 3.164 50 0 EGAARN CCc1cccc(-n2ccn(Cc3cc(C)ccc3C)c(=O)c2=O)c1 ZINC000004569923 210223005 /nfs/dbraw/zinc/22/30/05/210223005.db2.gz LAGXBEBTVRQCBA-UHFFFAOYSA-N 0 0 334.419 3.227 50 0 EGAARN CCOc1cccc2cc(S(=O)(=O)c3ccccc3F)c(=O)oc21 ZINC000004484148 210199472 /nfs/dbraw/zinc/19/94/72/210199472.db2.gz AVNNKBUMCUGDHG-UHFFFAOYSA-N 0 0 348.351 3.164 50 0 EGAARN NS(=O)(=O)c1cccnc1Nc1ccc(Oc2ccccc2)cc1 ZINC000049402355 214006050 /nfs/dbraw/zinc/00/60/50/214006050.db2.gz AEOGRGGMYPYMAN-UHFFFAOYSA-N 0 0 341.392 3.265 50 0 EGAARN CCn1cc([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 ZINC000100769934 219105762 /nfs/dbraw/zinc/10/57/62/219105762.db2.gz OQWHHVYAVSWKJY-MRXNPFEDSA-N 0 0 334.375 3.414 50 0 biogenic EGAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000100834898 219108920 /nfs/dbraw/zinc/10/89/20/219108920.db2.gz WOTIGSMMWSDFOT-GOSISDBHSA-N 0 0 334.379 3.351 50 0 EGAARN Cc1cccc(-c2noc(CCCC(=O)NCc3cccnc3)n2)c1 ZINC000004413219 210188923 /nfs/dbraw/zinc/18/89/23/210188923.db2.gz ZUIGIWRFANGMPJ-UHFFFAOYSA-N 0 0 336.395 3.079 50 0 EGAARN CCOC(=O)C(C=Nc1cccc(C(F)(F)F)c1)C(=O)OCC ZINC000100938907 219111539 /nfs/dbraw/zinc/11/15/39/219111539.db2.gz RFRRNORICIZXCP-UHFFFAOYSA-N 0 0 331.290 3.127 50 0 EGAARN Nc1[nH]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2s1 ZINC000100998455 219113817 /nfs/dbraw/zinc/11/38/17/219113817.db2.gz YEOLHWHCALWGPO-CYBMUJFWSA-N 0 0 340.433 3.076 50 0 EGAARN O=C(NCc1cccs1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004374307 210183982 /nfs/dbraw/zinc/18/39/82/210183982.db2.gz TUWRQXBQHQDLRH-LBPRGKRZSA-N 0 0 349.843 3.006 50 0 EGAARN O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1ccc2ccccc2c1 ZINC000101028463 219114617 /nfs/dbraw/zinc/11/46/17/219114617.db2.gz JDMVTYGIHNASGF-GOSISDBHSA-N 0 0 332.359 3.368 50 0 EGAARN C1=C(Cc2nc(C3CC3)nn2-c2ccccc2)N2CCCN=C2S1 ZINC000101137021 219116995 /nfs/dbraw/zinc/11/69/95/219116995.db2.gz MXNYODHOYLWCTI-UHFFFAOYSA-N 0 0 337.452 3.337 50 0 EGAARN Cc1nc2[nH]c(NCc3cccc4ccccc43)nn2c(=O)c1Cl ZINC000101262136 219119898 /nfs/dbraw/zinc/11/98/98/219119898.db2.gz DXNVWLAKWDAJHW-UHFFFAOYSA-N 0 0 339.786 3.145 50 0 EGAARN O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(F)cc1 ZINC000004348315 210176925 /nfs/dbraw/zinc/17/69/25/210176925.db2.gz GWOLRPPHNKRCRA-UHFFFAOYSA-N 0 0 330.340 3.459 50 0 EGAARN COc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(OC)c1 ZINC000004331320 210172939 /nfs/dbraw/zinc/17/29/39/210172939.db2.gz PSBCZSCWTJUJQU-QGZVFWFLSA-N 0 0 345.351 3.002 50 0 biogenic EGAARN O=c1[nH]nc(SCc2nc3ccccc3s2)n1Cc1ccco1 ZINC000004334524 210172838 /nfs/dbraw/zinc/17/28/38/210172838.db2.gz VOLYIZDFBJYHJA-UHFFFAOYSA-N 0 0 344.421 3.115 50 0 EGAARN COc1ccc([C@@H](C)N2Cc3ccccc3OCC2=O)cc1OC ZINC000065184350 214840163 /nfs/dbraw/zinc/84/01/63/214840163.db2.gz CGYKWDIWTLMOME-CYBMUJFWSA-N 0 0 327.380 3.186 50 0 EGAARN O=C(CSc1ncnc2sc3c(c21)CCC3)N1CCCCC1 ZINC000004284320 210160601 /nfs/dbraw/zinc/16/06/01/210160601.db2.gz WZPBQBSMDGCSHS-UHFFFAOYSA-N 0 0 333.482 3.285 50 0 EGAARN CC(=O)Nc1ccc(-c2nc(CC(C)C)nn2-c2ccccn2)cc1 ZINC000065384149 214882312 /nfs/dbraw/zinc/88/23/12/214882312.db2.gz CBHFJSWGYGBKBW-UHFFFAOYSA-N 0 0 335.411 3.486 50 0 EGAARN CC(c1nc2c([nH]1)C(=O)NCCC2)(c1ccccc1)c1ccccc1 ZINC000065385722 214883678 /nfs/dbraw/zinc/88/36/78/214883678.db2.gz QICMORGIWANVIR-UHFFFAOYSA-N 0 0 331.419 3.440 50 0 EGAARN COc1cc(C(=O)C[C@H]2O[C@@H](O)C(Cl)=C2Cl)ccc1Cl ZINC000004178053 210140481 /nfs/dbraw/zinc/14/04/81/210140481.db2.gz LRQPLIJSSGTYIR-ZWNOBZJWSA-N 0 0 337.586 3.328 50 0 EGAARN Cc1nc(CC(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)cs1 ZINC000065495762 214933157 /nfs/dbraw/zinc/93/31/57/214933157.db2.gz WFZGDXJGSJVGOS-UHFFFAOYSA-N 0 0 332.454 3.104 50 0 EGAARN COc1cccc2sc(=NC(=O)c3ccc(C(C)=O)cc3)n(C)c21 ZINC000004135053 210129193 /nfs/dbraw/zinc/12/91/93/210129193.db2.gz GCXLEHRMQWRYKX-VHEBQXMUSA-N 0 0 340.404 3.192 50 0 EGAARN Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccncc2)nn1 ZINC000065536719 214952319 /nfs/dbraw/zinc/95/23/19/214952319.db2.gz DQMFOZWKRNHEMU-UHFFFAOYSA-N 0 0 330.395 3.212 50 0 EGAARN Cn1c(-c2ccc(O)cc2O)cs/c1=N\c1ccc(Cl)cn1 ZINC000101720897 219159365 /nfs/dbraw/zinc/15/93/65/219159365.db2.gz UTAPPILEEAYCCO-SDXDJHTJSA-N 0 0 333.800 3.446 50 0 EGAARN O=C(Cc1ccc(F)cc1)N1CCN=C1SCc1ccccc1 ZINC000004119835 210125078 /nfs/dbraw/zinc/12/50/78/210125078.db2.gz GNOUWGRWAVGVER-UHFFFAOYSA-N 0 0 328.412 3.500 50 0 EGAARN CCOC(=O)c1nc2ccccc2c(NCc2cccc(OC)c2)n1 ZINC000004106937 210121238 /nfs/dbraw/zinc/12/12/38/210121238.db2.gz PEYZYTBWXUNFMI-UHFFFAOYSA-N 0 0 337.379 3.427 50 0 EGAARN COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc1 ZINC000004071909 210113149 /nfs/dbraw/zinc/11/31/49/210113149.db2.gz YSJGHGMDSQAVKS-SNVBAGLBSA-N 0 0 344.436 3.233 50 0 EGAARN CC(=O)N(/C=C/C=C/C=C1/OC(=S)N(C)C1=O)c1ccc(C)cc1 ZINC000004064973 210112262 /nfs/dbraw/zinc/11/22/62/210112262.db2.gz BSXSZZYKQFFOBM-IOWBPAFOSA-N 0 0 342.420 3.075 50 0 EGAARN Cc1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000003997655 210096614 /nfs/dbraw/zinc/09/66/14/210096614.db2.gz DWJJSHOWBCFROA-UHFFFAOYSA-N 0 0 341.392 3.378 50 0 EGAARN CC(=O)N(c1ccccc1)[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000003894753 210086350 /nfs/dbraw/zinc/08/63/50/210086350.db2.gz VKBULPRZNBBWFY-INIZCTEOSA-N 0 0 326.377 3.266 50 0 EGAARN CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1 ZINC000003895866 210085960 /nfs/dbraw/zinc/08/59/60/210085960.db2.gz QTBCBKFROKQUOK-HTWSVDAQSA-N 0 0 345.487 3.055 50 0 EGAARN CC(=O)NCCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000102192660 219190512 /nfs/dbraw/zinc/19/05/12/219190512.db2.gz JEEZSTJMNCBABL-BCDXTJNWSA-N 0 0 346.446 3.287 50 0 EGAARN Cc1ccc2c(c1)[C@H](CC(=O)N1CCC[C@H]1c1ccccn1)C(=O)N2 ZINC000102326054 219194651 /nfs/dbraw/zinc/19/46/51/219194651.db2.gz AKWIUTYOLQQHNG-YJBOKZPZSA-N 0 0 335.407 3.180 50 0 EGAARN Clc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2OC3)cc1 ZINC000001250001 282512641 /nfs/dbraw/zinc/51/26/41/282512641.db2.gz SSTZHRGLRAWBCK-KRWDZBQOSA-N 0 0 336.782 3.403 50 0 EGAARN CC(C)CCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O ZINC000003549584 210052407 /nfs/dbraw/zinc/05/24/07/210052407.db2.gz JTJGFUFSJMFJFV-UHFFFAOYSA-N 0 0 343.408 3.038 50 0 EGAARN C[C@]1(c2ccccc2)CCCN(C(=O)CC2=CSC3=NCCN23)C1 ZINC000102673140 219221261 /nfs/dbraw/zinc/22/12/61/219221261.db2.gz OLKUUZUROGQMBN-IBGZPJMESA-N 0 0 341.480 3.217 50 0 EGAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1Cl ZINC000003397118 210026845 /nfs/dbraw/zinc/02/68/45/210026845.db2.gz YXBGGMAOMKANCA-UHFFFAOYSA-N 0 0 339.178 3.492 50 0 EGAARN Cc1ccsc1C(=O)OCC(=O)NCCc1ccc(Cl)cc1 ZINC000003384072 210023578 /nfs/dbraw/zinc/02/35/78/210023578.db2.gz MXXZIJWEUHHNSW-UHFFFAOYSA-N 0 0 337.828 3.226 50 0 EGAARN COc1cccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c1OC ZINC000003385332 210024101 /nfs/dbraw/zinc/02/41/01/210024101.db2.gz UBJDOSJTHZJGMG-UHFFFAOYSA-N 0 0 343.379 3.116 50 0 EGAARN Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(F)ccc2F)cc1 ZINC000067198461 215122437 /nfs/dbraw/zinc/12/24/37/215122437.db2.gz QGGGHHJDQOTYOR-GFCCVEGCSA-N 0 0 333.334 3.307 50 0 EGAARN COc1ccc(-c2nc(C)cc(SCC(=O)N3CCCC3)n2)cc1 ZINC000067257513 215127963 /nfs/dbraw/zinc/12/79/63/215127963.db2.gz PVXYHAZQHIIEIM-UHFFFAOYSA-N 0 0 343.452 3.175 50 0 EGAARN Cc1cc(-n2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)nn2)ccc1F ZINC000067262011 215129018 /nfs/dbraw/zinc/12/90/18/215129018.db2.gz FQEYTDDAQCCKGM-LBPRGKRZSA-N 0 0 342.349 3.345 50 0 EGAARN Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(F)cc2F)cc1 ZINC000067198218 215123101 /nfs/dbraw/zinc/12/31/01/215123101.db2.gz JADOPJCUCRZDCB-GFCCVEGCSA-N 0 0 333.334 3.307 50 0 EGAARN CSc1nsc(SC(C)(C)C(=O)Nc2cc(C)on2)n1 ZINC000067317261 215132283 /nfs/dbraw/zinc/13/22/83/215132283.db2.gz SQHAUGHOVRBCDU-UHFFFAOYSA-N 0 0 330.460 3.066 50 0 EGAARN Cc1cc(C)n(C(=O)Cc2nnc(Nc3ccc(C)cc3)s2)n1 ZINC000067341899 215135059 /nfs/dbraw/zinc/13/50/59/215135059.db2.gz NSDIEMMDTSJOPF-UHFFFAOYSA-N 0 0 327.413 3.286 50 0 EGAARN Cc1cccc(NC(=O)c2sccc2NC(=O)c2cnccn2)c1 ZINC000067335915 215135180 /nfs/dbraw/zinc/13/51/80/215135180.db2.gz YMQICRFDPUKINK-UHFFFAOYSA-N 0 0 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CN1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2C1 ZINC000019889311 277189013 /nfs/dbraw/zinc/18/90/13/277189013.db2.gz BFEXJKWQWHHQEG-UHFFFAOYSA-N 0 0 338.436 3.119 50 0 EGAARN COCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 ZINC000000149530 277480321 /nfs/dbraw/zinc/48/03/21/277480321.db2.gz VJDIMTALOQDDNJ-JTQLQIEISA-N 0 0 339.457 3.271 50 0 EGAARN COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3Cl)oc21 ZINC000067292668 278043675 /nfs/dbraw/zinc/04/36/75/278043675.db2.gz KBPNWVQRIGKMQI-JZJYNLBNSA-N 0 0 328.755 3.426 50 0 EGAARN COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000040267764 278057966 /nfs/dbraw/zinc/05/79/66/278057966.db2.gz RJVSYUBNQUCMHM-CQSZACIVSA-N 0 0 336.351 3.216 50 0 EGAARN CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)[C@@H](C(C)=O)C(=O)C[C@@]1(C)O ZINC000019794570 278232476 /nfs/dbraw/zinc/23/24/76/278232476.db2.gz VRYIVWIJBOQOBG-MTQWCTHYSA-N 0 0 330.424 3.028 50 0 EGAARN Cc1ccc(-n2ncc3c2ncn(-c2cc(C)ccc2C)c3=O)cc1 ZINC000006662432 278777351 /nfs/dbraw/zinc/77/73/51/278777351.db2.gz 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Nc1ccc(C(c2ccc(N)cc2)[C@H]2NC(=O)c3ccccc32)cc1 ZINC000000061501 295352428 /nfs/dbraw/zinc/35/24/28/295352428.db2.gz SMZSGSKOSMOMAK-FQEVSTJZSA-N 0 0 329.403 3.468 50 0 EGAARN O=C(Cc1ccccc1)N[C@H](N1CCCC1)C(Cl)(Cl)Cl ZINC000019912888 295554954 /nfs/dbraw/zinc/55/49/54/295554954.db2.gz CZKRJUCDBUYJTJ-CYBMUJFWSA-N 0 0 335.662 3.137 50 0 EGAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2cc(Cl)ccc2N(C)C1=O ZINC000002134943 300893322 /nfs/dbraw/zinc/89/33/22/300893322.db2.gz POJOWDCSLKXINK-GOSISDBHSA-N 0 0 326.783 3.342 50 0 biogenic EGAARN O=C(NCCc1ccccc1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000157968068 455254904 /nfs/dbraw/zinc/25/49/04/455254904.db2.gz DDOLTYBUUNIGKR-UHFFFAOYSA-N 0 0 332.835 3.195 50 0 EGAARN O=C(c1ccc(F)cc1)N1C[C@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000238879054 455259399 /nfs/dbraw/zinc/25/93/99/455259399.db2.gz OUDIBKOWLGZDLA-SJORKVTESA-N 0 0 337.354 3.232 50 0 EGAARN Cc1cc(O[C@H](C)C(=O)N[C@H](C)[C@H]2CCCO2)cc(C)c1Cl ZINC000239203277 455261024 /nfs/dbraw/zinc/26/10/24/455261024.db2.gz 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327.413 3.077 50 0 EGAARN COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(C)=O)cc1 ZINC000013465191 453464198 /nfs/dbraw/zinc/46/41/98/453464198.db2.gz NAOCVMNNNYCWQW-UHFFFAOYSA-N 0 0 336.391 3.398 50 0 EGAARN CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000013649411 453478350 /nfs/dbraw/zinc/47/83/50/453478350.db2.gz UCDOEUNANILCII-UHFFFAOYSA-N 0 0 348.424 3.099 50 0 EGAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)S2)c1 ZINC000013685766 453480555 /nfs/dbraw/zinc/48/05/55/453480555.db2.gz SIEDBQOZUYKHIX-OAHLLOKOSA-N 0 0 339.420 3.434 50 0 EGAARN Cc1cccc(NC(=O)CSc2ccc(NC(=O)C(C)C)nn2)c1 ZINC000013702073 453481871 /nfs/dbraw/zinc/48/18/71/453481871.db2.gz CEOCSTZBNHPMSB-UHFFFAOYSA-N 0 0 344.440 3.110 50 0 EGAARN CCn1nc(C(=O)Nc2nc3c(s2)c(C)ccc3OC)cc1C ZINC000013703309 453482156 /nfs/dbraw/zinc/48/21/56/453482156.db2.gz ZJGYBNDEQMFNRX-UHFFFAOYSA-N 0 0 330.413 3.390 50 0 EGAARN C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000013744799 453486738 /nfs/dbraw/zinc/48/67/38/453486738.db2.gz 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O=c1/c(=C/c2cccc(F)c2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000027021655 453809853 /nfs/dbraw/zinc/80/98/53/453809853.db2.gz XWPYXZFQKYCQJE-KDNHCMJDSA-N 0 0 349.390 3.008 50 0 EGAARN O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H]1CCCO1 ZINC000027395228 453816412 /nfs/dbraw/zinc/81/64/12/453816412.db2.gz VJDUHKLBHKSBCK-LBPRGKRZSA-N 0 0 336.844 3.301 50 0 EGAARN COc1ccc(Cn2nccc2NC(=O)c2ccccc2F)cc1 ZINC000028293280 453822908 /nfs/dbraw/zinc/82/29/08/453822908.db2.gz LSXQUXVVBATNGZ-UHFFFAOYSA-N 0 0 325.343 3.331 50 0 EGAARN CN1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2)CC1 ZINC000030830564 453839120 /nfs/dbraw/zinc/83/91/20/453839120.db2.gz DBYSOQVKVCROIH-UHFFFAOYSA-N 0 0 329.831 3.344 50 0 EGAARN O=C(Cn1c(=O)sc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000030947925 453841988 /nfs/dbraw/zinc/84/19/88/453841988.db2.gz FRYINLGFNAPVTN-UHFFFAOYSA-N 0 0 342.464 3.148 50 0 EGAARN CC(=O)Nc1ccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)cc1 ZINC000032101052 453864918 /nfs/dbraw/zinc/86/49/18/453864918.db2.gz QUASFQKVBXGNHR-UHFFFAOYSA-N 0 0 349.390 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ZINC000085557175 454032678 /nfs/dbraw/zinc/03/26/78/454032678.db2.gz KGIYJXQHXLUVTR-UHFFFAOYSA-N 0 0 333.391 3.313 50 0 EGAARN O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000085560747 454033691 /nfs/dbraw/zinc/03/36/91/454033691.db2.gz XEIWJWNUEOLOTD-AWEZNQCLSA-N 0 0 339.347 3.015 50 0 EGAARN CC(C)CC(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 ZINC000077130888 454066046 /nfs/dbraw/zinc/06/60/46/454066046.db2.gz HHLITTAHNIXPOA-UHFFFAOYSA-N 0 0 336.399 3.391 50 0 EGAARN C[C@@H](Cc1ccsc1)NC(=O)Nc1ccccc1CC(=O)N(C)C ZINC000056744264 454078013 /nfs/dbraw/zinc/07/80/13/454078013.db2.gz HXWQLUVCKVEGFR-ZDUSSCGKSA-N 0 0 345.468 3.132 50 0 EGAARN CCc1ccc2nc(C)cc(C(=O)NCCNc3cccnc3)c2c1 ZINC000077297744 454087669 /nfs/dbraw/zinc/08/76/69/454087669.db2.gz VZXOQQBZHAZOIN-UHFFFAOYSA-N 0 0 334.423 3.343 50 0 EGAARN COc1ccc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cc1C(=O)[O-] ZINC000077301039 454087953 /nfs/dbraw/zinc/08/79/53/454087953.db2.gz AFKFSVIVWGJYCK-KRWDZBQOSA-N 0 0 346.471 3.234 50 0 EGAARN Cc1cccc(SC2CCN(C(=O)c3cccn(C)c3=O)CC2)c1 ZINC000077354575 454096198 /nfs/dbraw/zinc/09/61/98/454096198.db2.gz BTTLCMGEFNABQB-UHFFFAOYSA-N 0 0 342.464 3.091 50 0 EGAARN Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc(C(C)C)n1 ZINC000077406215 454102515 /nfs/dbraw/zinc/10/25/15/454102515.db2.gz MCIKIDVRPJKFSD-FQEVSTJZSA-N 0 0 342.487 3.280 50 0 EGAARN Cc1noc([C@H](C)n2ccnc2-c2cc(F)ccc2-n2cccn2)n1 ZINC000077421696 454104624 /nfs/dbraw/zinc/10/46/24/454104624.db2.gz PCFNMCWTOCDCHF-NSHDSACASA-N 0 0 338.346 3.176 50 0 EGAARN Cc1nc(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(C)o1 ZINC000077425984 454105294 /nfs/dbraw/zinc/10/52/94/454105294.db2.gz JQQPMEKPEBEFKO-SFHVURJKSA-N 0 0 342.439 3.137 50 0 EGAARN Cc1nnsc1C(=O)N1CCC[C@@H](COc2ccccc2C)C1 ZINC000077437589 454106423 /nfs/dbraw/zinc/10/64/23/454106423.db2.gz AGOVVASMHXTDLV-CQSZACIVSA-N 0 0 331.441 3.086 50 0 EGAARN COc1cc(F)c(CN2CCC([C@H](O)CC(C)C)CC2)cc1OC ZINC000077458023 454108309 /nfs/dbraw/zinc/10/83/09/454108309.db2.gz IJTKRWWGCCXTBP-QGZVFWFLSA-N 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CC(C)NC(=O)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000071328234 454205416 /nfs/dbraw/zinc/20/54/16/454205416.db2.gz HSZGWBXAGMLFPP-UHFFFAOYSA-N 0 0 340.427 3.010 50 0 EGAARN CCc1nc2c(ncnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000071388529 454206242 /nfs/dbraw/zinc/20/62/42/454206242.db2.gz LQTIMWLHXQCCPJ-ZDUSSCGKSA-N 0 0 344.802 3.412 50 0 EGAARN Cn1ccc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cc1=O ZINC000071479520 454207156 /nfs/dbraw/zinc/20/71/56/454207156.db2.gz PLYZASYDVCFIEN-MRXNPFEDSA-N 0 0 342.414 3.009 50 0 EGAARN CNC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000046023098 454207288 /nfs/dbraw/zinc/20/72/88/454207288.db2.gz ZLUDDGMFVPMENE-UHFFFAOYSA-N 0 0 341.798 3.362 50 0 EGAARN CC[C@@H]1CN(Cc2nccs2)CCC(=O)N1Cc1ccccc1 ZINC000071552302 454209475 /nfs/dbraw/zinc/20/94/75/454209475.db2.gz AFIIHTUGXPLUNQ-MRXNPFEDSA-N 0 0 329.469 3.156 50 0 EGAARN CC(C)[C@@H]1CN(C(=O)C2CCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071751645 454213973 /nfs/dbraw/zinc/21/39/73/454213973.db2.gz YRYVZMWEQXRNPM-SFHVURJKSA-N 0 0 346.446 3.211 50 0 EGAARN Cc1nc(C2CC2)ncc1C(=O)N(C)Cc1ccccc1-n1cccn1 ZINC000071758826 454215201 /nfs/dbraw/zinc/21/52/01/454215201.db2.gz ZHOHYDPICWBBOK-UHFFFAOYSA-N 0 0 347.422 3.120 50 0 EGAARN Cn1cnnc1SCCn1ccnc1-c1ccnc2ccccc21 ZINC000071760325 454215236 /nfs/dbraw/zinc/21/52/36/454215236.db2.gz NNRSNEIRAFRGEH-UHFFFAOYSA-N 0 0 336.424 3.019 50 0 EGAARN CC[C@@H]1CN(c2ncnc(C)c2C)CCC(=O)N1Cc1ccccc1 ZINC000071759441 454215249 /nfs/dbraw/zinc/21/52/49/454215249.db2.gz GVBIVSQFVBFYJG-GOSISDBHSA-N 0 0 338.455 3.111 50 0 EGAARN Cn1ccc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 ZINC000071762279 454215320 /nfs/dbraw/zinc/21/53/20/454215320.db2.gz KGDMSTPREOHQNJ-ZDUSSCGKSA-N 0 0 333.382 3.183 50 0 EGAARN Cc1cc(C)cc(-n2cc(C(=O)NCc3ccc(F)cc3F)nn2)c1 ZINC000071765008 454216921 /nfs/dbraw/zinc/21/69/21/454216921.db2.gz WETVECSRYJQEFG-UHFFFAOYSA-N 0 0 342.349 3.092 50 0 EGAARN CCOc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)c1 ZINC000046088486 454217290 /nfs/dbraw/zinc/21/72/90/454217290.db2.gz 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/nfs/dbraw/zinc/44/45/69/457444569.db2.gz ZMHXRDGKSYWBMS-BOTMBNHJSA-N 0 0 329.377 3.464 50 0 EGAARN O=C(CNC(=O)c1ccccc1)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000409414877 457598236 /nfs/dbraw/zinc/59/82/36/457598236.db2.gz QKZFGBLDXXSSGA-GOSISDBHSA-N 0 0 347.418 3.092 50 0 EGAARN Cc1nc(NCc2cc3cc(Cl)ccc3[nH]2)cc([C@H]2CCOC2)n1 ZINC000426369168 457812532 /nfs/dbraw/zinc/81/25/32/457812532.db2.gz JPWPAUXWVSIAOP-LBPRGKRZSA-N 0 0 342.830 3.458 50 0 EGAARN CCC[C@@H]1COCCN1C(=O)c1cccc(-c2cccc(=O)[nH]2)c1 ZINC000426383433 457817837 /nfs/dbraw/zinc/81/78/37/457817837.db2.gz YAIUERSGLOMCQI-MRXNPFEDSA-N 0 0 326.396 3.095 50 0 EGAARN CCCN(Cc1nccn1C)C(=O)c1cccc(-c2ncccc2N)c1 ZINC000426387791 457819665 /nfs/dbraw/zinc/81/96/65/457819665.db2.gz CCXZQZRTFJCJNE-UHFFFAOYSA-N 0 0 349.438 3.117 50 0 EGAARN CN(CCC[C@H]1CCCO1)C(=O)c1ccc(-c2nccn2C)cc1 ZINC000426444832 457831881 /nfs/dbraw/zinc/83/18/81/457831881.db2.gz ATMSXSGNLMIYJI-KRWDZBQOSA-N 0 0 327.428 3.118 50 0 EGAARN Cc1ccc(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)s1 ZINC000426508171 457845718 /nfs/dbraw/zinc/84/57/18/457845718.db2.gz ZBWTVJZEUYBOCM-UHFFFAOYSA-N 0 0 342.464 3.466 50 0 EGAARN CCCCN(Cc1ccccn1)C(=O)c1ccccc1-n1cnnc1 ZINC000426563476 457855382 /nfs/dbraw/zinc/85/53/82/457855382.db2.gz WRHMUJAPUVZZIR-UHFFFAOYSA-N 0 0 335.411 3.105 50 0 EGAARN Cc1ccc(OC[C@H]2CCCN(C(=O)NCC3CCOCC3)C2)cc1 ZINC000426578878 457857073 /nfs/dbraw/zinc/85/70/73/457857073.db2.gz VFEIMLRZLQJNDG-SFHVURJKSA-N 0 0 346.471 3.222 50 0 EGAARN CN(Cc1noc2c1CCCC2)C(=O)N[C@@H]1CCc2ccccc21 ZINC000426573307 457857772 /nfs/dbraw/zinc/85/77/72/457857772.db2.gz RTKAQJWBLKYVSS-MRXNPFEDSA-N 0 0 325.412 3.382 50 0 EGAARN Cc1noc(C)c1CN1CCc2c(C(=O)N3CCCC3)csc2C1 ZINC000426606781 457861571 /nfs/dbraw/zinc/86/15/71/457861571.db2.gz RIHUKTYNEQAGMA-UHFFFAOYSA-N 0 0 345.468 3.147 50 0 EGAARN COCCN(CC1CC1)C(=O)c1ccc(-c2ccc(CO)cc2)cc1 ZINC000426620024 457863025 /nfs/dbraw/zinc/86/30/25/457863025.db2.gz KWWYOAZJJPAAPN-UHFFFAOYSA-N 0 0 339.435 3.345 50 0 EGAARN CC(C)c1nc(-c2ccc(C(=O)NC[C@@H]3CCCCO3)cc2)no1 ZINC000426648213 457870047 /nfs/dbraw/zinc/87/00/47/457870047.db2.gz XJBRZLJUYFYJKE-HNNXBMFYSA-N 0 0 329.400 3.159 50 0 EGAARN Cc1nc([C@H](C)N(C)C(=O)c2c(Cl)c(C)nn2C)c(C)s1 ZINC000426683795 457876975 /nfs/dbraw/zinc/87/69/75/457876975.db2.gz KIICBLARIRMXDQ-QMMMGPOBSA-N 0 0 326.853 3.288 50 0 EGAARN O=C(NC1CCN(c2ccccc2)CC1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000426700097 457880242 /nfs/dbraw/zinc/88/02/42/457880242.db2.gz UYCBFVQCALQQRY-NFQUHZNNSA-N 0 0 339.483 3.343 50 0 EGAARN CC[C@H](NC(=O)c1ccc(-c2c(C)n[nH]c2C)cc1)c1cnn(C)c1 ZINC000426712295 457881962 /nfs/dbraw/zinc/88/19/62/457881962.db2.gz ZDWHMVUEXZIXTC-KRWDZBQOSA-N 0 0 337.427 3.308 50 0 EGAARN COc1ccc2[nH]cc(CCNC(=O)c3ccnc(C(C)C)n3)c2c1 ZINC000426722445 457884930 /nfs/dbraw/zinc/88/49/30/457884930.db2.gz OCOVEFOFFPQKFS-UHFFFAOYSA-N 0 0 338.411 3.062 50 0 EGAARN Cc1cccc2c1ccn2CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000503917973 458729560 /nfs/dbraw/zinc/72/95/60/458729560.db2.gz ONHQBMCLZMMYCZ-DYESRHJHSA-N 0 0 340.467 3.493 50 0 biogenic EGAARN Cc1noc(C)c1CN(C)C(=O)NCc1nc2c(cccc2C)o1 ZINC000534636923 459340973 /nfs/dbraw/zinc/34/09/73/459340973.db2.gz KJLWCEUXPZFOPG-UHFFFAOYSA-N 0 0 328.372 3.083 50 0 EGAARN O=C(NCCc1ccncc1)c1cccc(-c2cnn(CC3CC3)c2)c1 ZINC000534643549 459341997 /nfs/dbraw/zinc/34/19/97/459341997.db2.gz XNAKDSLACBEWSM-UHFFFAOYSA-N 0 0 346.434 3.328 50 0 EGAARN COc1cc2c(cc1OC)[C@H](NC(=O)CCCn1cccc1)CC2 ZINC000524735604 459384417 /nfs/dbraw/zinc/38/44/17/459384417.db2.gz MOXZTWMAJVNSDV-MRXNPFEDSA-N 0 0 328.412 3.089 50 0 EGAARN CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000498049396 459566484 /nfs/dbraw/zinc/56/64/84/459566484.db2.gz ROQJNRDLUNFGNK-HJTSIMOOSA-N 0 0 346.467 3.421 50 0 EGAARN Cc1nc(-c2cccc(C(=O)N[C@@H](C)Cc3cccnc3)c2)c(C)[nH]1 ZINC000584892124 459819703 /nfs/dbraw/zinc/81/97/03/459819703.db2.gz IEZMXURGWPYOFM-ZDUSSCGKSA-N 0 0 334.423 3.450 50 0 EGAARN Cc1nc(-c2cccc(C(=O)NCc3nc(C)cc(C)n3)c2)c(C)[nH]1 ZINC000584892445 459819961 /nfs/dbraw/zinc/81/99/61/459819961.db2.gz OZMQSQLKKYGPRY-UHFFFAOYSA-N 0 0 335.411 3.030 50 0 EGAARN O=C(c1cccc(-c2nnc3ccccn32)c1)N1CCC(F)(F)CC1 ZINC000584897917 459820758 /nfs/dbraw/zinc/82/07/58/459820758.db2.gz BSRJWWUNODLLMJ-UHFFFAOYSA-N 0 0 342.349 3.268 50 0 EGAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)C(C)(C)Nc1ccc(C)cc1 ZINC000584899186 459820850 /nfs/dbraw/zinc/82/08/50/459820850.db2.gz GAHFRUSVZFPALE-CYBMUJFWSA-N 0 0 328.460 3.413 50 0 EGAARN Cc1csc(-c2cnc(C=Cc3ccnn3CC3CC3)[nH]c2=O)n1 ZINC000585136163 459827593 /nfs/dbraw/zinc/82/75/93/459827593.db2.gz UKZWKKPAHVFCGG-SNAWJCMRSA-N 0 0 339.424 3.391 50 0 EGAARN O=C(NCCn1cc(-c2cccnc2)cn1)c1cccc(Cl)c1 ZINC000585148359 459830474 /nfs/dbraw/zinc/83/04/74/459830474.db2.gz HHWNEOOTPURAHB-UHFFFAOYSA-N 0 0 326.787 3.029 50 0 EGAARN CCc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccco3)o2)cc1 ZINC000575610875 459982230 /nfs/dbraw/zinc/98/22/30/459982230.db2.gz QSDGUBOJADNIGH-UHFFFAOYSA-N 0 0 338.363 3.357 50 0 EGAARN CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)n1cccn1 ZINC000575614180 459984015 /nfs/dbraw/zinc/98/40/15/459984015.db2.gz OZCCCMHIKFYONO-HNNXBMFYSA-N 0 0 341.436 3.363 50 0 EGAARN O=C(Cc1ccc(F)cc1F)NCc1nccnc1-c1ccsc1 ZINC000575618309 459986526 /nfs/dbraw/zinc/98/65/26/459986526.db2.gz GSLUDFSLFMTSCB-UHFFFAOYSA-N 0 0 345.374 3.342 50 0 EGAARN O=C(NCc1nccnc1-c1ccoc1)Nc1c(F)cccc1F ZINC000575621393 459987919 /nfs/dbraw/zinc/98/79/19/459987919.db2.gz WTLAVOLNBXQQIH-UHFFFAOYSA-N 0 0 330.294 3.337 50 0 EGAARN Cn1cc([C@H]2CN(C(=O)OCc3cccnc3)Cc3ccccc32)cn1 ZINC000575620340 459988408 /nfs/dbraw/zinc/98/84/08/459988408.db2.gz SZMMCFFFSBBNKH-LJQANCHMSA-N 0 0 348.406 3.099 50 0 EGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1c(C)ccc1C)CC3 ZINC000604404590 460422251 /nfs/dbraw/zinc/42/22/51/460422251.db2.gz FFLYYDXGNHJFGO-UHFFFAOYSA-N 0 0 337.423 3.180 50 0 biogenic EGAARN Cc1ccc(C)n1CC(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000604419201 460424402 /nfs/dbraw/zinc/42/44/02/460424402.db2.gz JTYHCTGCGAYOCN-SFHVURJKSA-N 0 0 336.439 3.355 50 0 EGAARN COC(=O)c1nc(NC(=O)C2CC2)sc1CCc1ccccc1 ZINC000072402319 463509386 /nfs/dbraw/zinc/50/93/86/463509386.db2.gz HOCVZVTVXHPCES-UHFFFAOYSA-N 0 0 330.409 3.063 50 0 EGAARN CCN(Cc1nc(C)no1)C(=O)c1cccc(-c2ccnc(C)c2)c1 ZINC000299764123 521448118 /nfs/dbraw/zinc/44/81/18/521448118.db2.gz SVSOCAAASUDAOJ-UHFFFAOYSA-N 0 0 336.395 3.411 50 0 EGAARN COc1ccccc1CCCNC(=O)c1cc(-c2ccccc2)n(C)n1 ZINC000215346663 537031422 /nfs/dbraw/zinc/03/14/22/537031422.db2.gz VCDVBFNDNQINIL-UHFFFAOYSA-N 0 0 349.434 3.458 50 0 EGAARN CSc1ncc(C(=O)N2CCCC[C@H]2CCc2ccccn2)cn1 ZINC000222967429 547245686 /nfs/dbraw/zinc/24/56/86/547245686.db2.gz GLRNKNTXHXJWKF-INIZCTEOSA-N 0 0 342.468 3.221 50 0 EGAARN O=C([C@H](O)C1CCCCC1)N1CCC2(CC1)OCCc1ccsc12 ZINC000438269720 547907442 /nfs/dbraw/zinc/90/74/42/547907442.db2.gz JBBDRFZGYWRXHC-MRXNPFEDSA-N 0 0 349.496 3.080 50 0 EGAARN COc1cc2nc(NC3=NC(C)(C)C=C(C)N3)nc(C)c2cc1C ZINC000575443937 548087052 /nfs/dbraw/zinc/08/70/52/548087052.db2.gz ZONYKYGGPFCGFM-UHFFFAOYSA-N 0 0 325.416 3.309 50 0 EGAARN COCc1nc([C@H]2CCCCCN2C)n(Cc2ccc(OC)cc2)n1 ZINC000670439108 548215947 /nfs/dbraw/zinc/21/59/47/548215947.db2.gz OYBVBDCQVNSGTQ-QGZVFWFLSA-N 0 0 344.459 3.028 50 0 EGAARN Cn1nc2c(c1C(=O)N[C@@H](c1ccco1)c1ccccc1)CCCC2 ZINC000670439125 548216090 /nfs/dbraw/zinc/21/60/90/548216090.db2.gz NWSCWFZULSZQDE-GOSISDBHSA-N 0 0 335.407 3.411 50 0 EGAARN CCCC[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1cccnc1 ZINC000670458001 548219360 /nfs/dbraw/zinc/21/93/60/548219360.db2.gz DNGMNZNRGXZYDT-GOSISDBHSA-N 0 0 349.434 3.444 50 0 EGAARN COc1cccc2cc(C(=O)N3CCC[C@@H](c4cnn(C)c4)C3)oc21 ZINC000681353994 549985647 /nfs/dbraw/zinc/98/56/47/549985647.db2.gz DOZXRBIWJGVEBW-CQSZACIVSA-N 0 0 339.395 3.195 50 0 EGAARN Cn1cc([C@@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)cn1 ZINC000681380616 549989442 /nfs/dbraw/zinc/98/94/42/549989442.db2.gz YJXGSTFLGLLPEO-GFCCVEGCSA-N 0 0 326.425 3.050 50 0 EGAARN CC(C)Oc1ncccc1CNC(=O)c1ncc(-c2ccccc2)o1 ZINC000206586919 564003054 /nfs/dbraw/zinc/00/30/54/564003054.db2.gz FHJMNRONDUZDAD-UHFFFAOYSA-N 0 0 337.379 3.454 50 0 EGAARN COc1cccc(C(=O)N2C[C@H](c3ncon3)[C@H](c3ccccc3)C2)c1 ZINC000238815743 564105138 /nfs/dbraw/zinc/10/51/38/564105138.db2.gz BKSOFRKRJXPKHH-ROUUACIJSA-N 0 0 349.390 3.102 50 0 EGAARN CCCn1cnnc1[C@@H](C)NC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000584885553 564131492 /nfs/dbraw/zinc/13/14/92/564131492.db2.gz YNTFDHPTBUCMPB-CYBMUJFWSA-N 0 0 325.416 3.277 50 0 EGAARN Cc1cc(C)nc(NCc2cccnc2N(C)CCc2ccccn2)n1 ZINC000012208650 1291130520 /nfs/dbraw/zinc/13/05/20/1291130520.db2.gz ZUTJGXSUEPYQNB-UHFFFAOYSA-N 0 0 348.454 3.174 50 0 EGAARN Fc1ccc([C@]2(c3noc(CCc4ccncc4)n3)CCOC2)cc1 ZINC000019812733 1291193452 /nfs/dbraw/zinc/19/34/52/1291193452.db2.gz BBDYMOMZNMIARG-IBGZPJMESA-N 0 0 339.370 3.095 50 0 EGAARN Cc1ccccc1-n1cc(-c2ccnc(NC[C@H]3CCCOC3)n2)cn1 ZINC000019938855 1291193905 /nfs/dbraw/zinc/19/39/05/1291193905.db2.gz GVJPASVWZMTYQM-MRXNPFEDSA-N 0 0 349.438 3.476 50 0 EGAARN Cc1ccc2[nH]c(=O)c(CN3CCCC[C@H]3c3ccn(C)n3)cc2c1 ZINC000067880850 1292176005 /nfs/dbraw/zinc/17/60/05/1292176005.db2.gz PPSWPMDEWHLQMH-IBGZPJMESA-N 0 0 336.439 3.297 50 0 EGAARN Cc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1ccc(CO)o1 ZINC000067935220 1292178958 /nfs/dbraw/zinc/17/89/58/1292178958.db2.gz LAYGKEGEHKAVJO-LBPRGKRZSA-N 0 0 341.411 3.269 50 0 EGAARN CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1csc(-c2cnccn2)n1 ZINC000827688911 1292357818 /nfs/dbraw/zinc/35/78/18/1292357818.db2.gz ZCGLPXQEDKTCHZ-QGZVFWFLSA-N 0 0 348.431 3.320 50 0 EGAARN Nc1nc(CCCNC(=O)CCc2nc3ccccc3s2)cs1 ZINC000827823029 1292382725 /nfs/dbraw/zinc/38/27/25/1292382725.db2.gz HKBXNAQSOVUQRQ-UHFFFAOYSA-N 0 0 346.481 3.017 50 0 EGAARN Cc1noc(C)c1CC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000827846922 1292386031 /nfs/dbraw/zinc/38/60/31/1292386031.db2.gz MTOUYIPPMMEAGF-KRWDZBQOSA-N 0 0 344.411 3.421 50 0 EGAARN NC(=O)c1ccccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000828072080 1292426728 /nfs/dbraw/zinc/42/67/28/1292426728.db2.gz MXHUMDXYRVUZFX-UHFFFAOYSA-N 0 0 337.404 3.065 50 0 EGAARN Cc1nc2cc(CNC(=O)c3cnoc3-c3ccccc3)ccc2n1C ZINC000828205373 1292441990 /nfs/dbraw/zinc/44/19/90/1292441990.db2.gz ICKBXBCZRIIYQC-UHFFFAOYSA-N 0 0 346.390 3.467 50 0 EGAARN COc1ccc(Cn2c3cc4c(cc3cc(CO)c2=O)CCC4)cc1 ZINC000828821691 1292503221 /nfs/dbraw/zinc/50/32/21/1292503221.db2.gz SCQRRZSGYUAHLK-UHFFFAOYSA-N 0 0 335.403 3.039 50 0 EGAARN COc1ccc2c(c1)CCN(CN1CCc3cc(OC)ccc3C1)C2 ZINC000114837356 1293178941 /nfs/dbraw/zinc/17/89/41/1293178941.db2.gz OEENWGJJSQGRID-UHFFFAOYSA-N 0 0 338.451 3.078 50 0 EGAARN Cc1ccc(N2CC[C@@H](NC(=O)c3ccc4[nH]ccc4c3)C2=O)cc1C ZINC000169792984 1294373550 /nfs/dbraw/zinc/37/35/50/1294373550.db2.gz FMHIYDVGRVFUGX-LJQANCHMSA-N 0 0 347.418 3.320 50 0 EGAARN O=C(NCc1cc(C2CC2)ncn1)c1cc(-c2cccs2)on1 ZINC000585361153 1298039509 /nfs/dbraw/zinc/03/95/09/1298039509.db2.gz RZYQYJCESCMKSS-UHFFFAOYSA-N 0 0 326.381 3.001 50 0 EGAARN CCOC(=O)CN1c2ccc(C(=O)OCC)cc2C(C)=CC1(C)C ZINC000616591642 1298098225 /nfs/dbraw/zinc/09/82/25/1298098225.db2.gz PMBNJDAHGYFBAE-UHFFFAOYSA-N 0 0 331.412 3.428 50 0 EGAARN O=C(Nc1ccccc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 ZINC000618254680 1298099194 /nfs/dbraw/zinc/09/91/94/1298099194.db2.gz CWRNDTOZSDMIPU-HNNXBMFYSA-N 0 0 334.379 3.315 50 0 EGAARN O=C(CSCc1ccccc1)N[C@@H]1CCN(Cc2ccsc2)C1 ZINC000618256526 1298099209 /nfs/dbraw/zinc/09/92/09/1298099209.db2.gz JMAFCSNXOUCDQM-QGZVFWFLSA-N 0 0 346.521 3.372 50 0 EGAARN C[C@](O)(CNC(=O)Cc1c(F)cccc1Cl)Cc1ccsc1 ZINC000618257362 1298100231 /nfs/dbraw/zinc/10/02/31/1298100231.db2.gz UQUOOTKDPODQPK-MRXNPFEDSA-N 0 0 341.835 3.193 50 0 EGAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000826573096 1320388908 /nfs/dbraw/zinc/38/89/08/1320388908.db2.gz ZFJDTDAFFIFNSI-LBPRGKRZSA-N 0 0 345.349 3.487 50 0 EGAARN CCC(=O)Nc1ccc(NC(=O)c2scc3c2OCCO3)c(C)c1 ZINC000822534954 1320095268 /nfs/dbraw/zinc/09/52/68/1320095268.db2.gz ASJDYIQDKXCFTA-UHFFFAOYSA-N 0 0 346.408 3.429 50 0 EGAARN CC[C@@](C)(NCc1ccc(OC)cc1)c1nnnn1-c1ccccc1 ZINC000822668001 1320111201 /nfs/dbraw/zinc/11/12/01/1320111201.db2.gz MTAPMEIVOQOLAQ-LJQANCHMSA-N 0 0 337.427 3.086 50 0 EGAARN CC[C@@H](NC(=O)c1csc(CN(C)C)n1)c1nc(C)c(C)s1 ZINC000822668926 1320111846 /nfs/dbraw/zinc/11/18/46/1320111846.db2.gz YXWPLCPDHCOCRC-LLVKDONJSA-N 0 0 338.502 3.159 50 0 EGAARN CNc1nc(C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)cs1 ZINC000824100954 1320228819 /nfs/dbraw/zinc/22/88/19/1320228819.db2.gz YMCHLGFJECMDAO-UHFFFAOYSA-N 0 0 349.847 3.077 50 0 EGAARN CCn1nc(Cc2ccc(OC)cc2)nc1-c1n[nH]c2c1CCCC2 ZINC000824674421 1320276257 /nfs/dbraw/zinc/27/62/57/1320276257.db2.gz DHQGMFUOXNMZID-UHFFFAOYSA-N 0 0 337.427 3.166 50 0 EGAARN Cc1cc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)nc(C)n1 ZINC000952870303 1334583633 /nfs/dbraw/zinc/58/36/33/1334583633.db2.gz VLNHZAPLDCCHFN-QGZVFWFLSA-N 0 0 341.411 3.294 50 0 EGAARN Cn1ccc2c1cccc2C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000952963526 1334625565 /nfs/dbraw/zinc/62/55/65/1334625565.db2.gz IXKPSAGVMWDEQD-UHFFFAOYSA-N 0 0 347.418 3.252 50 0 EGAARN COc1cccc(OC)c1C(=O)Nc1cc(C)ccc1NC(C)=O ZINC000952966861 1334626372 /nfs/dbraw/zinc/62/63/72/1334626372.db2.gz KKRUQQYIYVSFGB-UHFFFAOYSA-N 0 0 328.368 3.223 50 0 EGAARN CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccnn2C)cc1Cl ZINC000952967765 1334626751 /nfs/dbraw/zinc/62/67/51/1334626751.db2.gz LHJOMZPJCSVYCH-UHFFFAOYSA-N 0 0 348.834 3.239 50 0 EGAARN CSCc1ccc(C(=O)Nc2ccc3[nH]c([C@H](C)O)nc3c2)o1 ZINC000952967658 1334626816 /nfs/dbraw/zinc/62/68/16/1334626816.db2.gz ZZGPRMSLEMOKIG-VIFPVBQESA-N 0 0 331.397 3.325 50 0 EGAARN CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CC(c2ccncc2)C1 ZINC000952968019 1334627003 /nfs/dbraw/zinc/62/70/03/1334627003.db2.gz DYENMIJQMCGWNH-CQSZACIVSA-N 0 0 337.423 3.306 50 0 EGAARN Cc1c(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)ccn1C ZINC000952967786 1334627146 /nfs/dbraw/zinc/62/71/46/1334627146.db2.gz LKDTVYDBABWJAM-SFHVURJKSA-N 0 0 342.439 3.034 50 0 EGAARN C[C@H]1CCC(=O)N1c1cccc(NC(=O)C(C)(C)n2cccc2)c1 ZINC000952979151 1334629196 /nfs/dbraw/zinc/62/91/96/1334629196.db2.gz 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CSCc1noc(CN2CCC(C(C)=O)(c3ccccc3)CC2)n1 ZINC000072135599 216024566 /nfs/dbraw/zinc/02/45/66/216024566.db2.gz XLXBQYLFCHXURC-UHFFFAOYSA-N 0 0 345.468 3.055 50 0 EGAARN Cc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CCN1CCOCC1 ZINC000072150539 216037841 /nfs/dbraw/zinc/03/78/41/216037841.db2.gz UNNUHUBGJYKZAJ-KRWDZBQOSA-N 0 0 349.450 3.243 50 0 EGAARN CCc1ccc(-c2cc(C(=O)N3CC(c4cccnc4)C3)[nH]n2)cc1 ZINC000072154725 216043773 /nfs/dbraw/zinc/04/37/73/216043773.db2.gz CWIVPQNJMYSAAL-UHFFFAOYSA-N 0 0 332.407 3.274 50 0 EGAARN CCCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157059 216047473 /nfs/dbraw/zinc/04/74/73/216047473.db2.gz ZBWOGERWVOSBDE-QXAKKESOSA-N 0 0 334.410 3.154 50 0 EGAARN COc1cccc(F)c1OCc1nc(COc2ccccc2)no1 ZINC000072166935 216057558 /nfs/dbraw/zinc/05/75/58/216057558.db2.gz MIALGHARSHDXPH-UHFFFAOYSA-N 0 0 330.315 3.375 50 0 EGAARN O=C(CN1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@H]1c1cccs1 ZINC000072270618 216093064 /nfs/dbraw/zinc/09/30/64/216093064.db2.gz HESIWDKYGNSPGV-HOCLYGCPSA-N 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/nfs/dbraw/zinc/44/17/36/209441736.db2.gz JCWZBFVLVUEGCP-UHFFFAOYSA-N 0 0 347.436 3.364 50 0 EGAARN CCc1cc(NCCCn2nnc3ccccc32)n2nc(C)c(C)c2n1 ZINC000072407388 216198743 /nfs/dbraw/zinc/19/87/43/216198743.db2.gz AJWWYCSOAJVKAA-UHFFFAOYSA-N 0 0 349.442 3.155 50 0 EGAARN CCCOc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000028289210 212613004 /nfs/dbraw/zinc/61/30/04/212613004.db2.gz ZLKPNKILEUVIGH-GFCCVEGCSA-N 0 0 340.379 3.447 50 0 EGAARN Cc1cc2nc(-c3ccccc3)cc(NCc3cc(C)n(C)n3)n2n1 ZINC000072410844 216203069 /nfs/dbraw/zinc/20/30/69/216203069.db2.gz JUJHQZQVMYODQT-UHFFFAOYSA-N 0 0 332.411 3.359 50 0 EGAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccs2)cc1 ZINC000000070790 209401391 /nfs/dbraw/zinc/40/13/91/209401391.db2.gz YJAKSZRAYQIWMJ-OAHLLOKOSA-N 0 0 343.408 3.023 50 0 EGAARN Cc1cc2nc(C)cc(NCc3ccc(-c4noc(C)n4)cc3)n2n1 ZINC000072421449 216210435 /nfs/dbraw/zinc/21/04/35/216210435.db2.gz HGQMMNMXRUYOQE-UHFFFAOYSA-N 0 0 334.383 3.317 50 0 EGAARN COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2cccs2)cc1 ZINC000000082248 209408133 /nfs/dbraw/zinc/40/81/33/209408133.db2.gz JEYULPYTAHJOIE-UHFFFAOYSA-N 0 0 339.438 3.135 50 0 EGAARN CC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(C)(C)C)C1 ZINC000000062655 209395481 /nfs/dbraw/zinc/39/54/81/209395481.db2.gz BRLOMZGHAMVPBM-OAHLLOKOSA-N 0 0 339.233 3.406 50 0 EGAARN COc1ccc(OC)c(C2=NCC(=O)Nc3c4ccccc4oc32)c1 ZINC000000054953 209393054 /nfs/dbraw/zinc/39/30/54/209393054.db2.gz JZIVYSMUOXHOJL-UHFFFAOYSA-N 0 0 336.347 3.240 50 0 biogenic EGAARN COc1ccc(C(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000000050391 209391005 /nfs/dbraw/zinc/39/10/05/209391005.db2.gz OQOLRPZBTPOERH-INIZCTEOSA-N 0 0 342.347 3.197 50 0 biogenic EGAARN Cc1cc(C)nc(SCC(=O)Nc2nc3ccccc3s2)n1 ZINC000000051107 209390832 /nfs/dbraw/zinc/39/08/32/209390832.db2.gz AQVJLVPKIWVHGX-UHFFFAOYSA-N 0 0 330.438 3.434 50 0 EGAARN COc1cccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c1 ZINC000000051784 209390836 /nfs/dbraw/zinc/39/08/36/209390836.db2.gz LDJXGWOSJTUEEW-UHFFFAOYSA-N 0 0 325.393 3.390 50 0 EGAARN COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000044314 209387264 /nfs/dbraw/zinc/38/72/64/209387264.db2.gz PYRMPGJTVYJRJB-LBPRGKRZSA-N 0 0 344.798 3.340 50 0 EGAARN CCOc1ccccc1[C@H]1NC(=S)N=C(C)C1C(=O)OCC(C)C ZINC000000044537 209387319 /nfs/dbraw/zinc/38/73/19/209387319.db2.gz CIQYLFVCHZGMTE-MRXNPFEDSA-N 0 0 348.468 3.077 50 0 EGAARN O=C(NCCn1ccnc1-c1cc(F)cc(Cl)c1)c1ccncc1 ZINC000072428488 216219236 /nfs/dbraw/zinc/21/92/36/216219236.db2.gz RRTAYQQIDUACEX-UHFFFAOYSA-N 0 0 344.777 3.168 50 0 EGAARN CCN1C[C@@H](n2ccnc2-c2ccc3c(c2)CC(C)(C)O3)CC1=O ZINC000072428475 216219407 /nfs/dbraw/zinc/21/94/07/216219407.db2.gz FKVBLFOQNZHHQK-HNNXBMFYSA-N 0 0 325.412 3.057 50 0 EGAARN CCOCC1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072426841 216217618 /nfs/dbraw/zinc/21/76/18/216217618.db2.gz ZSFSLFUHMGESGL-UHFFFAOYSA-N 0 0 333.472 3.279 50 0 EGAARN Cn1ccnc1[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C1CC1 ZINC000072433539 216228755 /nfs/dbraw/zinc/22/87/55/216228755.db2.gz YXCXGJZOLHEFBH-QGZVFWFLSA-N 0 0 341.455 3.005 50 0 EGAARN Cc1nnc(CCNc2cc(-c3ccccc3)nc3ccnn32)s1 ZINC000072430588 216224130 /nfs/dbraw/zinc/22/41/30/216224130.db2.gz UXOOMYLGTNSELV-UHFFFAOYSA-N 0 0 336.424 3.211 50 0 EGAARN CCCc1cc(N[C@H](C)c2ccc(-n3cncn3)cc2)n2nccc2n1 ZINC000072431273 216224251 /nfs/dbraw/zinc/22/42/51/216224251.db2.gz ADQCQOBVQDQQJM-CQSZACIVSA-N 0 0 347.426 3.436 50 0 EGAARN Cn1ccnc1[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1CC1 ZINC000072439146 216233188 /nfs/dbraw/zinc/23/31/88/216233188.db2.gz WVJJHLLGXIFXPQ-QGZVFWFLSA-N 0 0 341.455 3.005 50 0 EGAARN CN(Cc1cccc(O)c1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072438631 216233194 /nfs/dbraw/zinc/23/31/94/216233194.db2.gz FSXXQKUGESVOBU-UHFFFAOYSA-N 0 0 327.424 3.368 50 0 EGAARN Cc1cc2nc(C(C)C)cc(NC[C@H](O)c3ccccc3F)n2n1 ZINC000072435784 216230790 /nfs/dbraw/zinc/23/07/90/216230790.db2.gz QDLJLPRUCIUASO-INIZCTEOSA-N 0 0 328.391 3.446 50 0 EGAARN Cc1noc(C)c1CCCNC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072436170 216231346 /nfs/dbraw/zinc/23/13/46/216231346.db2.gz JOPWXMDVAQCWRM-UHFFFAOYSA-N 0 0 344.455 3.358 50 0 EGAARN Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072439973 216233781 /nfs/dbraw/zinc/23/37/81/216233781.db2.gz CVMQQUXQYRSEDY-IBGZPJMESA-N 0 0 341.451 3.162 50 0 EGAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000072457548 216242434 /nfs/dbraw/zinc/24/24/34/216242434.db2.gz VPNNPMSAAKFRNB-UHFFFAOYSA-N 0 0 341.455 3.167 50 0 EGAARN CC(=O)C1(c2ccccc2)CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000072473150 216249889 /nfs/dbraw/zinc/24/98/89/216249889.db2.gz AGDGACXSIHCJQV-UHFFFAOYSA-N 0 0 339.439 3.227 50 0 EGAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000072463030 216245508 /nfs/dbraw/zinc/24/55/08/216245508.db2.gz YDKNEBBVYMIIEJ-CYBMUJFWSA-N 0 0 330.815 3.357 50 0 EGAARN O=C(c1cccc2cnccc21)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072475469 216253101 /nfs/dbraw/zinc/25/31/01/216253101.db2.gz IZJQSWLMVIWLDQ-UHFFFAOYSA-N 0 0 349.409 3.332 50 0 EGAARN CNc1nc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cs1 ZINC000072478978 216259168 /nfs/dbraw/zinc/25/91/68/216259168.db2.gz SZNZRJDSKWIOCB-UHFFFAOYSA-N 0 0 328.397 3.112 50 0 EGAARN CC(C)n1cnnc1CN(C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072480964 216259879 /nfs/dbraw/zinc/25/98/79/216259879.db2.gz XUXLSIQFHBDWOQ-UHFFFAOYSA-N 0 0 330.476 3.195 50 0 EGAARN CCn1nc(C)c(NC(=O)N2CCC(c3ccncc3)CC2)c1C ZINC000191926926 239387361 /nfs/dbraw/zinc/38/73/61/239387361.db2.gz UJDMSPLLQPDCPA-UHFFFAOYSA-N 0 0 327.432 3.326 50 0 EGAARN CCCN1CCn2c3ccc(C(=O)NC4CCCCC4)cc3nc2C1 ZINC000023411539 212376183 /nfs/dbraw/zinc/37/61/83/212376183.db2.gz DQPRNDJEEODGPO-UHFFFAOYSA-N 0 0 340.471 3.324 50 0 EGAARN O=C(Cn1ccc(-c2cccc(-c3cnccn3)c2)n1)N1CCCCC1 ZINC000023339229 212369032 /nfs/dbraw/zinc/36/90/32/212369032.db2.gz XACFGWPOUVJLNL-UHFFFAOYSA-N 0 0 347.422 3.020 50 0 EGAARN Cc1ccc2[nH]c3c(ncn(CC(=O)Nc4ccccc4C)c3=O)c2c1 ZINC000023126189 212351031 /nfs/dbraw/zinc/35/10/31/212351031.db2.gz VTNSZPNDIVSVED-UHFFFAOYSA-N 0 0 346.390 3.133 50 0 EGAARN CCc1cccc(NC(=O)Cn2cnc3c4ccccc4[nH]c3c2=O)c1 ZINC000023125940 212350792 /nfs/dbraw/zinc/35/07/92/212350792.db2.gz QWHFLTNBGQDWQE-UHFFFAOYSA-N 0 0 346.390 3.079 50 0 EGAARN CC[C@H](C)NC(=O)c1cnn(-c2ccc(OC)cc2)c1-n1cccc1 ZINC000022574481 212307896 /nfs/dbraw/zinc/30/78/96/212307896.db2.gz IVZRSCGXZZRDNZ-AWEZNQCLSA-N 0 0 338.411 3.200 50 0 EGAARN COc1ccc(-c2noc(COC(=O)c3ccc(F)c(F)c3)n2)cc1 ZINC000022432201 212297065 /nfs/dbraw/zinc/29/70/65/212297065.db2.gz APRMUYYZUFFLJJ-UHFFFAOYSA-N 0 0 346.289 3.380 50 0 EGAARN Cc1nn(C(C)C)c(C)c1CN(C)Cc1cn(-c2ccccc2)nn1 ZINC000214979353 241100060 /nfs/dbraw/zinc/10/00/60/241100060.db2.gz QHRVDHMVBAZGPY-UHFFFAOYSA-N 0 0 338.459 3.294 50 0 EGAARN CC(C)Cc1ncc2c(n1)CN(C(=O)c1cnoc1-c1ccccc1)C2 ZINC000215245076 241114502 /nfs/dbraw/zinc/11/45/02/241114502.db2.gz VBKMNEASIAETIC-UHFFFAOYSA-N 0 0 348.406 3.486 50 0 EGAARN Cc1nnc([C@H]2CCCN2C(=O)c2ccc(Oc3ccccc3)o2)[nH]1 ZINC000215228014 241114994 /nfs/dbraw/zinc/11/49/94/241114994.db2.gz JSDOYVCOTWJTIO-CQSZACIVSA-N 0 0 338.367 3.476 50 0 EGAARN CSC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(F)c(C)c1 ZINC000206763812 241050284 /nfs/dbraw/zinc/05/02/84/241050284.db2.gz HSOINRGQMAZXNN-FUNVUKJBSA-N 0 0 329.462 3.181 50 0 EGAARN O=C(/C=C/c1ccccc1Cl)N[C@@H]1CCN(c2nccs2)C1 ZINC000206813937 241050877 /nfs/dbraw/zinc/05/08/77/241050877.db2.gz HSUXRYWGEFNJLE-URWSZGRFSA-N 0 0 333.844 3.205 50 0 EGAARN CSc1ccc(CCC(=O)N2CC(Oc3nccs3)C2)cc1 ZINC000208031567 241065953 /nfs/dbraw/zinc/06/59/53/241065953.db2.gz NTVKLQUAJHEQCE-UHFFFAOYSA-N 0 0 334.466 3.087 50 0 EGAARN CN1CC2(CCC1=O)CCN(Cc1ccc(F)c(Cl)c1F)CC2 ZINC000215819193 241146385 /nfs/dbraw/zinc/14/63/85/241146385.db2.gz LMXCIKXSMVSBLP-UHFFFAOYSA-N 0 0 342.817 3.453 50 0 EGAARN O[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000215901216 241153193 /nfs/dbraw/zinc/15/31/93/241153193.db2.gz XGCDCPLSNAGBBU-NRFANRHFSA-N 0 0 348.450 3.213 50 0 EGAARN Cn1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1=O ZINC000216203312 241175650 /nfs/dbraw/zinc/17/56/50/241175650.db2.gz PUQLJNRECLKLHA-UHFFFAOYSA-N 0 0 342.414 3.500 50 0 EGAARN COCc1cccc(C(=O)N(C)CCOc2cccc(Cl)c2)n1 ZINC000216493255 241198774 /nfs/dbraw/zinc/19/87/74/241198774.db2.gz KPRZWLLXCKFUEY-UHFFFAOYSA-N 0 0 334.803 3.032 50 0 EGAARN Cc1nn(CC(=O)NCCSCc2ccccc2C)c(C)c1C ZINC000215363593 241123783 /nfs/dbraw/zinc/12/37/83/241123783.db2.gz YPWLYVJHPJITPW-UHFFFAOYSA-N 0 0 331.485 3.166 50 0 EGAARN CC[C@H](C)Sc1ncc(CN2CCC(c3cc[nH]n3)CC2)cn1 ZINC000215536537 241132767 /nfs/dbraw/zinc/13/27/67/241132767.db2.gz QOELHPMQNWTCRK-ZDUSSCGKSA-N 0 0 331.489 3.470 50 0 EGAARN COc1ccc2c(c1)C[C@@H](C(=O)NCc1cccc3[nH]ccc31)CO2 ZINC000218848774 241348868 /nfs/dbraw/zinc/34/88/68/241348868.db2.gz OJCKNEJFLXLCGB-OAHLLOKOSA-N 0 0 336.391 3.044 50 0 EGAARN COc1cccc(CCC(=O)NCc2nc3c(s2)CCCC3)c1 ZINC000221175579 241458281 /nfs/dbraw/zinc/45/82/81/241458281.db2.gz HMIXBQOQPCNLSA-UHFFFAOYSA-N 0 0 330.453 3.280 50 0 EGAARN CC(C)CCC[C@@H](C)NC(=O)CCn1cnc2ccccc2c1=O ZINC000021844215 212255916 /nfs/dbraw/zinc/25/59/16/212255916.db2.gz 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COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2nccnc21 ZINC000097463454 219025430 /nfs/dbraw/zinc/02/54/30/219025430.db2.gz RLOMAZGDHAHLLO-CQSZACIVSA-N 0 0 335.407 3.342 50 0 EGAARN COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)c(OC)c1 ZINC000004811060 210283924 /nfs/dbraw/zinc/28/39/24/210283924.db2.gz KGZXBLVFBLTHAY-RBUKOAKNSA-N 0 0 331.412 3.428 50 0 EGAARN CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)o1 ZINC000097594727 219036919 /nfs/dbraw/zinc/03/69/19/219036919.db2.gz MNNMQBZMDPYJMN-QZTJIDSGSA-N 0 0 342.439 3.209 50 0 EGAARN O=C1O[C@H](c2ccccc2)[C@@](O)(c2ccccc2)N1C[C@H]1CCCO1 ZINC000245255177 296412642 /nfs/dbraw/zinc/41/26/42/296412642.db2.gz FXSNUADDLFFSBE-GGPKGHCWSA-N 0 0 339.391 3.204 50 0 EGAARN CC(C)Oc1c(Cl)cccc1NC(=O)NCCCC(=O)N(C)C ZINC000118556900 221157658 /nfs/dbraw/zinc/15/76/58/221157658.db2.gz LEIBTHJFTVCCMB-UHFFFAOYSA-N 0 0 341.839 3.117 50 0 EGAARN CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ncnc2[nH]cnc21 ZINC000013578834 257858942 /nfs/dbraw/zinc/85/89/42/257858942.db2.gz 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EGAARN Cc1ccccc1N1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000013593750 258056178 /nfs/dbraw/zinc/05/61/78/258056178.db2.gz RXJHQTXOLFODOO-UHFFFAOYSA-N 0 0 348.450 3.291 50 0 EGAARN Cc1[nH]nc2c1[C@H](c1c(Cl)cccc1Cl)C1=C(COC1=O)N2 ZINC000020086449 258057163 /nfs/dbraw/zinc/05/71/63/258057163.db2.gz ZSDNCUZXQVOQAJ-CYBMUJFWSA-N 0 0 336.178 3.393 50 0 EGAARN O=C(Nc1nc(-c2ccc(Br)o2)ns1)c1ccco1 ZINC000028405026 258057924 /nfs/dbraw/zinc/05/79/24/258057924.db2.gz VTMXYWKCUPWPIK-UHFFFAOYSA-N 0 0 340.158 3.406 50 0 EGAARN CC(C)c1noc(CC2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000169754781 258070743 /nfs/dbraw/zinc/07/07/43/258070743.db2.gz SDRZEVDUYBXWAG-UHFFFAOYSA-N 0 0 331.391 3.427 50 0 EGAARN COc1cc(Cl)c(CN(C)Cc2noc(C3CC3)n2)c(OC)c1 ZINC000216000490 258072170 /nfs/dbraw/zinc/07/21/70/258072170.db2.gz CKRMFVUPMWJVRB-UHFFFAOYSA-N 0 0 337.807 3.250 50 0 EGAARN O=C(c1ccc2c(c1)CCCO2)N(CC1CCC1)C[C@@H]1CCCO1 ZINC000299756077 258074321 /nfs/dbraw/zinc/07/43/21/258074321.db2.gz BHAHMSWNQCCUHV-SFHVURJKSA-N 0 0 329.440 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452703784 /nfs/dbraw/zinc/70/37/84/452703784.db2.gz KBRYGYFYJXGJMM-UHFFFAOYSA-N 0 0 327.413 3.056 50 0 EGAARN CSc1nnc(CSc2ncccn2)n1-c1ccc(F)cc1 ZINC000002706144 452715033 /nfs/dbraw/zinc/71/50/33/452715033.db2.gz NHBZCANQGKIKKC-UHFFFAOYSA-N 0 0 333.417 3.211 50 0 EGAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC1=NCCS1 ZINC000002745112 452717700 /nfs/dbraw/zinc/71/77/00/452717700.db2.gz GJGRUUYZPYEDTJ-UHFFFAOYSA-N 0 0 333.240 3.371 50 0 EGAARN O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccccc1F ZINC000002755866 452720754 /nfs/dbraw/zinc/72/07/54/452720754.db2.gz MTXWUHKYQSKJRG-UHFFFAOYSA-N 0 0 339.260 3.378 50 0 EGAARN Cc1c(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1C ZINC000002761597 452720978 /nfs/dbraw/zinc/72/09/78/452720978.db2.gz SSVQEMSWSFXVEK-MSOLQXFVSA-N 0 0 325.456 3.446 50 0 EGAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccn2)CC1 ZINC000002773163 452722831 /nfs/dbraw/zinc/72/28/31/452722831.db2.gz QLQHUMIUXHOSBK-UHFFFAOYSA-N 0 0 344.418 3.106 50 0 EGAARN Cc1ccc(NC(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)nc1 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O=C(/C=C/c1ccco1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000002910490 452732883 /nfs/dbraw/zinc/73/28/83/452732883.db2.gz GWQSCDXZAKLFTJ-GQCTYLIASA-N 0 0 332.787 3.422 50 0 EGAARN CCOC(=O)Cc1csc(NC(=O)CCCOc2ccccc2)n1 ZINC000002990769 452737683 /nfs/dbraw/zinc/73/76/83/452737683.db2.gz LQKSATKHZVVMIR-UHFFFAOYSA-N 0 0 348.424 3.046 50 0 EGAARN C[C@@H]([C@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003226915 452750810 /nfs/dbraw/zinc/75/08/10/452750810.db2.gz AGGMPNXXPWUUTI-LRDDRELGSA-N 0 0 339.844 3.083 50 0 EGAARN C[C@@H](NC(=O)COC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000003224870 452750882 /nfs/dbraw/zinc/75/08/82/452750882.db2.gz GGRIPWMUANKKDX-CQSZACIVSA-N 0 0 334.375 3.269 50 0 EGAARN O=C(COC(=O)c1cccnc1Cl)Nc1ccc2c(c1)CCC2 ZINC000003523763 452777348 /nfs/dbraw/zinc/77/73/48/452777348.db2.gz IICAUTAQWRZTAI-UHFFFAOYSA-N 0 0 330.771 3.019 50 0 EGAARN COC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000003612483 452783878 /nfs/dbraw/zinc/78/38/78/452783878.db2.gz JJLRKLXGFISQFT-GOSISDBHSA-N 0 0 327.380 3.418 50 0 EGAARN CC(C)=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C ZINC000004097976 452793631 /nfs/dbraw/zinc/79/36/31/452793631.db2.gz CUKSFECWKQBVED-INIZCTEOSA-N 0 0 328.364 3.385 50 0 biogenic,in-vitro EGAARN Cc1cc(C)c2c(n1)sc1c2NC(=O)CN(Cc2ccco2)C1=O ZINC000004139144 452795041 /nfs/dbraw/zinc/79/50/41/452795041.db2.gz OJWPCRDUBGLDQI-UHFFFAOYSA-N 0 0 341.392 3.101 50 0 EGAARN O=c1c(Cl)c(N2CCCC2)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000004476184 452803727 /nfs/dbraw/zinc/80/37/27/452803727.db2.gz WVTCYMCBBDPMLJ-UHFFFAOYSA-N 0 0 333.863 3.422 50 0 EGAARN Cc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1Cl ZINC000004869059 452823372 /nfs/dbraw/zinc/82/33/72/452823372.db2.gz BTQZVVPLONMQKI-UHFFFAOYSA-N 0 0 330.771 3.013 50 0 EGAARN O=C(Cc1ccc(F)cc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154028 452840066 /nfs/dbraw/zinc/84/00/66/452840066.db2.gz OZPLIRGIUJJPDU-UHFFFAOYSA-N 0 0 338.382 3.232 50 0 EGAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3-n2ccnc2)cc1OC ZINC000005207451 452845925 /nfs/dbraw/zinc/84/59/25/452845925.db2.gz RNAOQKPFHRQNNR-UHFFFAOYSA-N 0 0 349.394 3.216 50 0 EGAARN Cc1c(C)n(-c2ccccn2)c2ncnc(NCCCn3ccnc3)c12 ZINC000005207511 452846182 /nfs/dbraw/zinc/84/61/82/452846182.db2.gz XEJDOBXTGFGJJS-UHFFFAOYSA-N 0 0 347.426 3.131 50 0 EGAARN COc1cccc(-c2nc3c(c(SCCO)n2)COC(C)(C)C3)c1 ZINC000005205278 452846543 /nfs/dbraw/zinc/84/65/43/452846543.db2.gz VCOFMRHKKLSQDO-UHFFFAOYSA-N 0 0 346.452 3.088 50 0 EGAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl ZINC000005220817 452847654 /nfs/dbraw/zinc/84/76/54/452847654.db2.gz HGQUIFKEADDYGV-LBPRGKRZSA-N 0 0 332.762 3.014 50 0 EGAARN Cc1cc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)no1 ZINC000005269428 452853431 /nfs/dbraw/zinc/85/34/31/452853431.db2.gz PZQVQZLPTIPNJT-UHFFFAOYSA-N 0 0 343.770 3.099 50 0 EGAARN O=C([O-])[C@H](CC(=O)Nc1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000005258882 452853497 /nfs/dbraw/zinc/85/34/97/452853497.db2.gz HYKSUDSWAVLDMG-KRWDZBQOSA-N 0 0 326.396 3.108 50 0 EGAARN CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2cccnc21 ZINC000005304022 452856116 /nfs/dbraw/zinc/85/61/16/452856116.db2.gz KHIADPTWWJWFIQ-UHFFFAOYSA-N 0 0 327.771 3.322 50 0 EGAARN CC[C@H](C(=O)Nc1ccc(F)cc1F)n1cnc2ccccc2c1=O ZINC000005321409 452859043 /nfs/dbraw/zinc/85/90/43/452859043.db2.gz IZHNDOLNHYXJTC-MRXNPFEDSA-N 0 0 343.333 3.265 50 0 EGAARN COc1ccccc1Nc1cc(-n2ncc(C(C)=O)c2C)nc(C)n1 ZINC000005427672 452872001 /nfs/dbraw/zinc/87/20/01/452872001.db2.gz XLEBMRDPWNUAQK-UHFFFAOYSA-N 0 0 337.383 3.234 50 0 EGAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1 ZINC000005518334 452880055 /nfs/dbraw/zinc/88/00/55/452880055.db2.gz SNOAJPUCPYHYME-KRWDZBQOSA-N 0 0 335.359 3.285 50 0 EGAARN CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC)cc1 ZINC000005686567 452895806 /nfs/dbraw/zinc/89/58/06/452895806.db2.gz XYMADIDIUUJTAM-BMIGLBTASA-N 0 0 347.440 3.343 50 0 EGAARN O=S1(=O)N=C(Nc2ccc(Cc3ccncc3)cc2)c2ccccc21 ZINC000005983564 452914283 /nfs/dbraw/zinc/91/42/83/452914283.db2.gz UJYMRFPTPXWSTP-UHFFFAOYSA-N 0 0 349.415 3.233 50 0 EGAARN O=C(c1ccc2ccccc2c1)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000006345411 452937392 /nfs/dbraw/zinc/93/73/92/452937392.db2.gz KQXGZTVFBXGISC-MRXNPFEDSA-N 0 0 340.276 3.261 50 0 EGAARN Nc1n[nH]c(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000006492149 452947438 /nfs/dbraw/zinc/94/74/38/452947438.db2.gz VBLKMOISKWIWNN-UHFFFAOYSA-N 0 0 326.381 3.154 50 0 aggregator EGAARN O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000006548418 452952222 /nfs/dbraw/zinc/95/22/22/452952222.db2.gz DMBUIFMXQQFLAB-INIZCTEOSA-N 0 0 325.437 3.324 50 0 biogenic EGAARN CCn1cc(CNC(=S)Nc2ccc(Br)cc2)cn1 ZINC000006568671 452956690 /nfs/dbraw/zinc/95/66/90/452956690.db2.gz SQWCVFMFFGEYFV-UHFFFAOYSA-N 0 0 339.262 3.152 50 0 EGAARN COCc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 ZINC000006661884 452964266 /nfs/dbraw/zinc/96/42/66/452964266.db2.gz IRRWISNGOCXKGQ-UHFFFAOYSA-N 0 0 345.211 3.218 50 0 EGAARN CN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000006664860 452966421 /nfs/dbraw/zinc/96/64/21/452966421.db2.gz WLARHVNTSIZYIE-HNNXBMFYSA-N 0 0 335.407 3.061 50 0 EGAARN CCc1nccn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000006665363 452967389 /nfs/dbraw/zinc/96/73/89/452967389.db2.gz UDUBRUIKPNUVHK-UHFFFAOYSA-N 0 0 338.802 3.276 50 0 EGAARN Cc1c(O)ccc2c(C)c(CCC(=O)Nc3ccccn3)c(=O)oc12 ZINC000006670102 452967421 /nfs/dbraw/zinc/96/74/21/452967421.db2.gz QNDBVDMEFXXXBJ-UHFFFAOYSA-N 0 0 338.363 3.082 50 0 EGAARN CCc1cc(C(=O)OC)c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)s1 ZINC000006699880 452972510 /nfs/dbraw/zinc/97/25/10/452972510.db2.gz MZTGXIZLLWVUKX-RYUDHWBXSA-N 0 0 338.473 3.014 50 0 EGAARN C[C@@H]1CCCN([C@]2(O)c3ccccc3N(Cc3ccccc3)C2=O)C1 ZINC000006721025 452975678 /nfs/dbraw/zinc/97/56/78/452975678.db2.gz ZZZRBULGENHYSN-IERDGZPVSA-N 0 0 336.435 3.110 50 0 EGAARN CCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1C ZINC000006726572 452977679 /nfs/dbraw/zinc/97/76/79/452977679.db2.gz WKBUQXHSXQBIHH-UHFFFAOYSA-N 0 0 344.362 3.127 50 0 EGAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000006738303 452979457 /nfs/dbraw/zinc/97/94/57/452979457.db2.gz OIEJXZSVAQCSPE-GOSISDBHSA-N 0 0 338.363 3.030 50 0 EGAARN COC[C@@H](C)NC(=O)c1cccnc1-c1nc2ccccc2s1 ZINC000006758765 452983766 /nfs/dbraw/zinc/98/37/66/452983766.db2.gz CKRNRCFGTHELIO-LLVKDONJSA-N 0 0 327.409 3.123 50 0 EGAARN C[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(F)cc1 ZINC000006755239 452984721 /nfs/dbraw/zinc/98/47/21/452984721.db2.gz OKJNNIXAYKAWOC-JTQLQIEISA-N 0 0 345.305 3.421 50 0 EGAARN C[C@@H](NC(=O)Cn1c(=O)oc2ccc(Cl)cc21)c1ccccc1 ZINC000006759513 452984887 /nfs/dbraw/zinc/98/48/87/452984887.db2.gz KGUFAPJLVYYARZ-LLVKDONJSA-N 0 0 330.771 3.125 50 0 EGAARN Cc1ccc2onc(CC(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000006781743 452986548 /nfs/dbraw/zinc/98/65/48/452986548.db2.gz ADPVKUUZPGSJON-UHFFFAOYSA-N 0 0 335.407 3.028 50 0 EGAARN Cc1ccc(CC(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000007069530 453029662 /nfs/dbraw/zinc/02/96/62/453029662.db2.gz JUBPMEFWPZLLMB-KRWDZBQOSA-N 0 0 339.435 3.218 50 0 EGAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C)cc1)c2=O ZINC000007280568 453054623 /nfs/dbraw/zinc/05/46/23/453054623.db2.gz VZJLSXQFKFAWPC-UHFFFAOYSA-N 0 0 326.377 3.143 50 0 EGAARN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000007310893 453060018 /nfs/dbraw/zinc/06/00/18/453060018.db2.gz HKBVFIJTTVCGHN-MRXNPFEDSA-N 0 0 338.407 3.073 50 0 EGAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1c(C)cccc1C ZINC000007455728 453079081 /nfs/dbraw/zinc/07/90/81/453079081.db2.gz PZUJZDTYBSVWLX-UHFFFAOYSA-N 0 0 349.390 3.110 50 0 EGAARN O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(F)cc1F ZINC000007535575 453084035 /nfs/dbraw/zinc/08/40/35/453084035.db2.gz ULONXENIJMOCLQ-UHFFFAOYSA-N 0 0 339.725 3.343 50 0 EGAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C ZINC000008014311 453150289 /nfs/dbraw/zinc/15/02/89/453150289.db2.gz TXCCCNTWWUXWQO-CYBMUJFWSA-N 0 0 340.379 3.040 50 0 EGAARN COc1cc(OC)c(C(=O)NCc2cccc(Cl)c2)cc1OC ZINC000008034677 453152351 /nfs/dbraw/zinc/15/23/51/453152351.db2.gz KBEJMKUFAVSKRO-UHFFFAOYSA-N 0 0 335.787 3.296 50 0 EGAARN COc1cc(CNc2nn[nH]n2)ccc1OCc1ccc(Cl)cc1 ZINC000008471536 453207621 /nfs/dbraw/zinc/20/76/21/453207621.db2.gz KOYUZUSHESLQJY-UHFFFAOYSA-N 0 0 345.790 3.053 50 0 EGAARN O=c1c2ccccc2nc2n1[C@@H](CSc1ccc(F)cc1)CN2 ZINC000008578198 453217215 /nfs/dbraw/zinc/21/72/15/453217215.db2.gz UARZRYIDZABYOF-GFCCVEGCSA-N 0 0 327.384 3.295 50 0 EGAARN CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N(C)C ZINC000008722933 453226587 /nfs/dbraw/zinc/22/65/87/453226587.db2.gz VPHRCTVYNKRMFD-UHFFFAOYSA-N 0 0 326.396 3.428 50 0 EGAARN COC(=O)c1cc(Cl)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000008730106 453229509 /nfs/dbraw/zinc/22/95/09/453229509.db2.gz QTCOGJHCBYIFGA-UHFFFAOYSA-N 0 0 345.704 3.355 50 0 EGAARN Cc1nc2sccn2c(=O)c1NC(=O)CCSc1ccccc1 ZINC000008931667 453238070 /nfs/dbraw/zinc/23/80/70/453238070.db2.gz PUUHMABJWGNTGE-UHFFFAOYSA-N 0 0 345.449 3.185 50 0 EGAARN O=C(C1CCN(C(=O)c2ccccc2)CC1)N1CCc2ccccc21 ZINC000009340657 453251631 /nfs/dbraw/zinc/25/16/31/453251631.db2.gz OPZRGSXBMRQUAM-UHFFFAOYSA-N 0 0 334.419 3.128 50 0 EGAARN CCOC(=O)c1cnc(SC)nc1Nc1ccc(OC)c(OC)c1 ZINC000011907807 453338376 /nfs/dbraw/zinc/33/83/76/453338376.db2.gz NHGHQFSEVBRUNN-UHFFFAOYSA-N 0 0 349.412 3.136 50 0 EGAARN CC[C@H](C)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=S ZINC000012393750 453358961 /nfs/dbraw/zinc/35/89/61/453358961.db2.gz ZSPYUUDOBMSBQZ-FIXISWKDSA-N 0 0 327.453 3.381 50 0 EGAARN CCCCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1 ZINC000012556181 453373744 /nfs/dbraw/zinc/37/37/44/453373744.db2.gz NYRSPHGQGVVRTC-UHFFFAOYSA-N 0 0 334.441 3.129 50 0 EGAARN O=C([C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)N1CCCCCC1 ZINC000012754705 453399139 /nfs/dbraw/zinc/39/91/39/453399139.db2.gz NTSPWTOYWJWDKS-KRWDZBQOSA-N 0 0 346.446 3.009 50 0 EGAARN COc1cccc(CN(C)Cc2nc(Cc3cccc(F)c3)no2)c1 ZINC000012836983 453413300 /nfs/dbraw/zinc/41/33/00/453413300.db2.gz NRYBUFIOVFCXNW-UHFFFAOYSA-N 0 0 341.386 3.440 50 0 EGAARN CCOc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc(N)nn21 ZINC000013118902 453447870 /nfs/dbraw/zinc/44/78/70/453447870.db2.gz PEUFFNGXFNXAIU-HOTGVXAUSA-N 0 0 335.411 3.405 50 0 aggregator EGAARN CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000013331612 453459215 /nfs/dbraw/zinc/45/92/15/453459215.db2.gz SSXOEEYIITYKLM-IBGZPJMESA-N 0 0 342.414 3.332 50 0 EGAARN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013327532 453459476 /nfs/dbraw/zinc/45/94/76/453459476.db2.gz XUMDBBWJKDWRMW-MRXNPFEDSA-N 0 0 343.379 3.263 50 0 EGAARN CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000013331611 453459824 /nfs/dbraw/zinc/45/98/24/453459824.db2.gz SSXOEEYIITYKLM-LJQANCHMSA-N 0 0 342.414 3.332 50 0 EGAARN CC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc4cc[nH]c4c3)C2=O)cc1 ZINC000013577259 453471940 /nfs/dbraw/zinc/47/19/40/453471940.db2.gz IXUDEFYOXMIZSN-SFHVURJKSA-N 0 0 347.374 3.115 50 0 EGAARN CC(C)CC[C@@]1(CC(=O)N2CCOCC2)CCO[C@@H](C(C)C)C1 ZINC000013655038 453478858 /nfs/dbraw/zinc/47/88/58/453478858.db2.gz DJVVWESHPUHXKZ-IEBWSBKVSA-N 0 0 325.493 3.493 50 0 EGAARN CC(C)c1ccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013688426 453480523 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/nfs/dbraw/zinc/22/61/03/454226103.db2.gz MBXKAHDPUWHFSB-UHFFFAOYSA-N 0 0 345.487 3.358 50 0 EGAARN Cc1ccc(CSc2nc(N)cc(NCC3(CO)CCC3)n2)cc1 ZINC000095523326 454227632 /nfs/dbraw/zinc/22/76/32/454227632.db2.gz KXUGNJQIUWIMLL-UHFFFAOYSA-N 0 0 344.484 3.234 50 0 EGAARN CCn1ncnc1[C@H](NC(=O)Nc1cccc2c1CCC2)C1CC1 ZINC000095529080 454228795 /nfs/dbraw/zinc/22/87/95/454228795.db2.gz NYFAJTKVWDXMRG-MRXNPFEDSA-N 0 0 325.416 3.060 50 0 EGAARN COc1cc(NC(=O)N(C)C[C@@H]2CCCCO2)c(OC)cc1Cl ZINC000095531063 454228971 /nfs/dbraw/zinc/22/89/71/454228971.db2.gz VKZHSTLBZGIRFR-NSHDSACASA-N 0 0 342.823 3.390 50 0 EGAARN CC(C)C[C@@H](NC(=O)c1cccs1)c1nc(-c2cccnn2)no1 ZINC000095527559 454229153 /nfs/dbraw/zinc/22/91/53/454229153.db2.gz ZNQNBCVHLDNOTG-GFCCVEGCSA-N 0 0 343.412 3.105 50 0 EGAARN C[C@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cc2ccccc2o1 ZINC000096097227 454281653 /nfs/dbraw/zinc/28/16/53/454281653.db2.gz WSTBNPQLCCAHRG-WMLDXEAASA-N 0 0 339.391 3.440 50 0 EGAARN O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 ZINC000096097221 454281703 /nfs/dbraw/zinc/28/17/03/454281703.db2.gz DRLNAPLHOWNTPT-CQSZACIVSA-N 0 0 339.347 3.015 50 0 EGAARN CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@H](C)c1ccccc1 ZINC000096115505 454287513 /nfs/dbraw/zinc/28/75/13/454287513.db2.gz YJWSXAYGQUEQHF-CQSZACIVSA-N 0 0 335.407 3.477 50 0 biogenic EGAARN CCn1nc(C)c(NC(=O)NCc2ccc(OC)c(F)c2F)c1C ZINC000096136948 454291663 /nfs/dbraw/zinc/29/16/63/454291663.db2.gz OZIPDWREVQQKQF-UHFFFAOYSA-N 0 0 338.358 3.128 50 0 EGAARN Cc1ncsc1CCC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000096150550 454293373 /nfs/dbraw/zinc/29/33/73/454293373.db2.gz RCUQVWMRQQASIK-UHFFFAOYSA-N 0 0 330.453 3.496 50 0 EGAARN CCn1c2ccccc2nc1SCCc1nc([C@@H]2CCOC2)no1 ZINC000096163229 454295938 /nfs/dbraw/zinc/29/59/38/454295938.db2.gz ZOTINQXXSLPAOO-GFCCVEGCSA-N 0 0 344.440 3.278 50 0 EGAARN CC(C)n1ncc2c1NC(=O)C[C@@]21c2ccccc2N(C(C)C)C1=O ZINC000072406187 454296270 /nfs/dbraw/zinc/29/62/70/454296270.db2.gz MNARXVYOXAVIIF-LJQANCHMSA-N 0 0 338.411 3.497 50 0 EGAARN CCn1cc(CN(C)c2nc(C)nc3c2Cc2ccccc2OC3)cn1 ZINC000096180562 454298463 /nfs/dbraw/zinc/29/84/63/454298463.db2.gz IMNVFXXIFAGQMW-UHFFFAOYSA-N 0 0 349.438 3.121 50 0 EGAARN COCCn1ccc2c1cccc2C(=O)NCc1c(F)cccc1F ZINC000096222996 454309264 /nfs/dbraw/zinc/30/92/64/454309264.db2.gz RFGRZDAYZADNMT-UHFFFAOYSA-N 0 0 344.361 3.496 50 0 EGAARN O=C(Nc1cccc(O)c1)c1ccc2c(c1)[nH]c(=O)n2-c1ccccc1 ZINC000096361346 454319640 /nfs/dbraw/zinc/31/96/40/454319640.db2.gz CVOCVZAYIIIUKM-UHFFFAOYSA-N 0 0 345.358 3.277 50 0 EGAARN COc1cccc2c1ccn2CCC(=O)Nc1nnc(C2CC2)s1 ZINC000061720540 454352460 /nfs/dbraw/zinc/35/24/60/454352460.db2.gz YFKCKZBTQRCNJB-UHFFFAOYSA-N 0 0 342.424 3.408 50 0 EGAARN COc1ccccc1NC(=O)c1coc(NC(=O)c2cccs2)n1 ZINC000062023067 454365833 /nfs/dbraw/zinc/36/58/33/454365833.db2.gz JUZBWXUZAALDPP-UHFFFAOYSA-N 0 0 343.364 3.249 50 0 EGAARN CN(C)CC[NH2+][C@@H](C(=O)[O-])c1c2ccccc2[nH]c1-c1ccccc1 ZINC000096836397 454382820 /nfs/dbraw/zinc/38/28/20/454382820.db2.gz DSWRJBIRYIMSOM-LJQANCHMSA-N 0 0 337.423 3.112 50 0 EGAARN CC[C@@H](O)Cn1ncnc1-c1cc(N2CCCCC2)ccc1Cl ZINC000091270648 454420847 /nfs/dbraw/zinc/42/08/47/454420847.db2.gz WBOGERMUNOEBDJ-CQSZACIVSA-N 0 0 334.851 3.360 50 0 EGAARN Fc1ccc([C@@H]2CN(c3nccc(-c4cccnc4)n3)CCO2)cc1 ZINC000097217730 454426656 /nfs/dbraw/zinc/42/66/56/454426656.db2.gz KPTNBENFAPSMKL-SFHVURJKSA-N 0 0 336.370 3.256 50 0 EGAARN COc1ccc([C@H](NC(=O)c2cc(-c3ccncc3)n[nH]2)C2CC2)cc1 ZINC000097528945 454439558 /nfs/dbraw/zinc/43/95/58/454439558.db2.gz AQMJJWOZKHZZGA-LJQANCHMSA-N 0 0 348.406 3.361 50 0 EGAARN CCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3CCCC3)c2c1 ZINC000063868387 454457802 /nfs/dbraw/zinc/45/78/02/454457802.db2.gz IRFAZCHVRDGPGD-UHFFFAOYSA-N 0 0 334.423 3.434 50 0 EGAARN CN(Cc1nccs1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000091830526 454477640 /nfs/dbraw/zinc/47/76/40/454477640.db2.gz VJNRHGKDKOUEQB-CQSZACIVSA-N 0 0 349.500 3.063 50 0 EGAARN O=C(N1CCCN(c2nccs2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000064751189 454502017 /nfs/dbraw/zinc/50/20/17/454502017.db2.gz XQFPTUUOSKXMIY-UHFFFAOYSA-N 0 0 345.443 3.053 50 0 EGAARN CN(C(=O)c1ccc2c(c1)ncn(C)c2=O)[C@H]1CCCc2ccccc21 ZINC000092019964 454503297 /nfs/dbraw/zinc/50/32/97/454503297.db2.gz XJYVRHUSJMNBJY-IBGZPJMESA-N 0 0 347.418 3.083 50 0 EGAARN CCn1c(C)cc(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1C ZINC000092081506 454519230 /nfs/dbraw/zinc/51/92/30/454519230.db2.gz AQGSFVDEANPWJE-KRWDZBQOSA-N 0 0 345.487 3.132 50 0 EGAARN CN(CCCc1nccn1C)C(=O)c1csc(-c2cccs2)n1 ZINC000092081302 454519287 /nfs/dbraw/zinc/51/92/87/454519287.db2.gz PUZONWAFISXPOV-UHFFFAOYSA-N 0 0 346.481 3.310 50 0 EGAARN COc1cc2c(cc1CNC(=O)c1ccc(C)cc1)OCCCO2 ZINC000064986968 454521625 /nfs/dbraw/zinc/52/16/25/454521625.db2.gz NNOVIPKWBCYTEO-UHFFFAOYSA-N 0 0 327.380 3.095 50 0 EGAARN Cc1cccc(-n2ccc(=O)c(-c3nc(-c4cccc(F)c4)no3)n2)c1 ZINC000049006338 454528068 /nfs/dbraw/zinc/52/80/68/454528068.db2.gz KOPFUQZSDGHTEP-UHFFFAOYSA-N 0 0 348.337 3.397 50 0 EGAARN COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C(C)C)cc(F)c1O ZINC000065381863 454556226 /nfs/dbraw/zinc/55/62/26/454556226.db2.gz BMSDVQJWOHFCAC-NSHDSACASA-N 0 0 333.363 3.100 50 0 EGAARN CCC(=O)Nc1ccc(OCC(=O)NCc2cccc(C)c2C)cc1 ZINC000065387066 454557747 /nfs/dbraw/zinc/55/77/47/454557747.db2.gz DRVYHWUGDHDOJJ-UHFFFAOYSA-N 0 0 340.423 3.347 50 0 EGAARN COc1ccc(CC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000049719651 454558340 /nfs/dbraw/zinc/55/83/40/454558340.db2.gz UUSKVSGGJHPOKC-KRWDZBQOSA-N 0 0 341.407 3.059 50 0 EGAARN Cc1ccc2oc(C(=O)N(C)Cc3nc(-c4ccncc4)no3)cc2c1 ZINC000065393831 454558536 /nfs/dbraw/zinc/55/85/36/454558536.db2.gz SGFBQOKDGKLRJT-UHFFFAOYSA-N 0 0 348.362 3.458 50 0 EGAARN CCn1nc(CNC(=O)c2c(C)[nH]c(C(C)=O)c2C)c2ccccc21 ZINC000065397474 454560590 /nfs/dbraw/zinc/56/05/90/454560590.db2.gz OCOVEKPEUVZBOV-UHFFFAOYSA-N 0 0 338.411 3.134 50 0 EGAARN CC(=O)NCc1ccc(-c2ccc(C)cc2-n2nc(C)cc2C)nc1 ZINC000065405665 454561532 /nfs/dbraw/zinc/56/15/32/454561532.db2.gz UGBSEFNMINRDAM-UHFFFAOYSA-N 0 0 334.423 3.496 50 0 EGAARN O=C1N[C@@H](Cc2nc(C3CC3)nn2-c2ccccc2)c2ccccc21 ZINC000065419171 454564433 /nfs/dbraw/zinc/56/44/33/454564433.db2.gz IQZNCWOYICJINF-KRWDZBQOSA-N 0 0 330.391 3.172 50 0 EGAARN C[C@H](Cn1cccn1)C(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000065427445 454565209 /nfs/dbraw/zinc/56/52/09/454565209.db2.gz IWAGPPOWEVGYJO-CYBMUJFWSA-N 0 0 343.818 3.056 50 0 EGAARN CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1coc2ccccc2c1=O ZINC000065531215 454585155 /nfs/dbraw/zinc/58/51/55/454585155.db2.gz ZUNMIBPNSJLDSM-UHFFFAOYSA-N 0 0 325.412 3.446 50 0 EGAARN C[C@H](CCc1ccco1)NC(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000065534401 454586215 /nfs/dbraw/zinc/58/62/15/454586215.db2.gz SQIXOYXGSKQMHB-LLVKDONJSA-N 0 0 346.412 3.034 50 0 EGAARN c1ccc(CCc2nc(Cc3cccnc3)n(-c3ccccn3)n2)cc1 ZINC000065535117 454586253 /nfs/dbraw/zinc/58/62/53/454586253.db2.gz YBHPSHVZBGAQAL-UHFFFAOYSA-N 0 0 341.418 3.433 50 0 EGAARN O=c1c2c3c(nn2ccn1Cc1c(F)cccc1Cl)CCCC3 ZINC000169759943 454930988 /nfs/dbraw/zinc/93/09/88/454930988.db2.gz COFKWALWEDCRCX-UHFFFAOYSA-N 0 0 331.778 3.216 50 0 EGAARN Cc1cc(C)cc(NC(=O)Cn2c(=O)cc(C)nc2-c2ccccc2)c1 ZINC000169759473 454931211 /nfs/dbraw/zinc/93/12/11/454931211.db2.gz MLDDKIBTCXAVAF-UHFFFAOYSA-N 0 0 347.418 3.474 50 0 EGAARN O=C(NC[C@@](O)(c1ccsc1)c1ccco1)Nc1cccs1 ZINC000244998798 455278370 /nfs/dbraw/zinc/27/83/70/455278370.db2.gz KTXQDRRZAKGMJB-OAHLLOKOSA-N 0 0 334.422 3.460 50 0 EGAARN Cc1cccc(C)c1OC1CN(C[C@@H]2COc3ccccc3O2)C1 ZINC000252482844 455808644 /nfs/dbraw/zinc/80/86/44/455808644.db2.gz DOZONIMOYUKXMF-QGZVFWFLSA-N 0 0 325.408 3.206 50 0 EGAARN Cc1ccc(N2CCC(C(=O)N3CCOc4ccccc43)CC2)nc1 ZINC000194331031 455828316 /nfs/dbraw/zinc/82/83/16/455828316.db2.gz RCQAAKZVHNQASC-UHFFFAOYSA-N 0 0 337.423 3.032 50 0 EGAARN Cc1cccnc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000219802074 456036610 /nfs/dbraw/zinc/03/66/10/456036610.db2.gz WPMUGFYZBDJRLN-MKJPBZQASA-N 0 0 347.418 3.180 50 0 EGAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1csc2c1CCCC2 ZINC000220079600 456037284 /nfs/dbraw/zinc/03/72/84/456037284.db2.gz 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CC[C@H]1CCCCN1S(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000002891179 288199003 /nfs/dbraw/zinc/19/90/03/288199003.db2.gz XRHWIWWEGCRCMA-NSHDSACASA-N 0 0 347.864 3.310 50 0 EGAARN Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(N)=O ZINC000067298395 280231736 /nfs/dbraw/zinc/23/17/36/280231736.db2.gz WXAHKDYBYSZSGW-JZJYNLBNSA-N 0 0 328.755 3.432 50 0 EGAARN CC[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(C)o1)N2 ZINC000239235767 280233051 /nfs/dbraw/zinc/23/30/51/280233051.db2.gz WQOZJUIJBZIIPZ-JRPNMDOOSA-N 0 0 344.333 3.477 50 0 EGAARN Cc1ccc(-n2ncc3c4nc(-c5cccc(O)c5)nn4cnc32)cc1 ZINC000005323546 280749064 /nfs/dbraw/zinc/74/90/64/280749064.db2.gz UBUMUMNLQUCFJX-UHFFFAOYSA-N 0 0 342.362 3.144 50 0 EGAARN Cc1ccccc1-n1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C ZINC000000206369 281329898 /nfs/dbraw/zinc/32/98/98/281329898.db2.gz ICFIESLILMILCY-UHFFFAOYSA-N 0 0 345.402 3.003 50 0 EGAARN CN1CC[NH+]([C@@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020676860 290054228 /nfs/dbraw/zinc/05/42/28/290054228.db2.gz 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ZINC000000265434 452549927 /nfs/dbraw/zinc/54/99/27/452549927.db2.gz URSUMOWUGDXZHU-UHFFFAOYSA-N 0 0 342.347 3.494 50 0 endogenous,in-man EGAARN COc1ccccc1N1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000000310993 452560643 /nfs/dbraw/zinc/56/06/43/452560643.db2.gz FGTCCFOLIZSOSM-UHFFFAOYSA-N 0 0 329.375 3.188 50 0 EGAARN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000000310110 452560822 /nfs/dbraw/zinc/56/08/22/452560822.db2.gz BBYLAJSUUWLXGR-UHFFFAOYSA-N 0 0 326.371 3.317 50 0 EGAARN CCOc1cc(C(=O)NCc2ccncc2)cc(OCC)c1OCC ZINC000000318082 452564358 /nfs/dbraw/zinc/56/43/58/452564358.db2.gz SALTVSJOYQGMNK-UHFFFAOYSA-N 0 0 344.411 3.208 50 0 EGAARN O=C(CSc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000000319132 452564599 /nfs/dbraw/zinc/56/45/99/452564599.db2.gz PERAQUJWYBRRNM-UHFFFAOYSA-N 0 0 330.428 3.267 50 0 EGAARN COc1ccc2c(c1)CCN(C=O)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000000332319 452566758 /nfs/dbraw/zinc/56/67/58/452566758.db2.gz GDYLIEVKBVCBJC-GOSISDBHSA-N 0 0 341.407 3.011 50 0 EGAARN COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1ccco1 ZINC000000359360 452570436 /nfs/dbraw/zinc/57/04/36/452570436.db2.gz GDWJTXPOZDPCDS-UHFFFAOYSA-N 0 0 326.308 3.386 50 0 EGAARN COc1ccccc1C(=O)NC(=S)Nc1cc(C)cc(C)c1O ZINC000000359573 452570696 /nfs/dbraw/zinc/57/06/96/452570696.db2.gz PISAAIIUJKYCPX-UHFFFAOYSA-N 0 0 330.409 3.144 50 0 EGAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)Oc1ccccc1)OCO2 ZINC000000364319 452572370 /nfs/dbraw/zinc/57/23/70/452572370.db2.gz FFXIQZTZYBJPMT-GFCCVEGCSA-N 0 0 327.336 3.024 50 0 EGAARN COc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)cc1 ZINC000000385270 452577510 /nfs/dbraw/zinc/57/75/10/452577510.db2.gz VUTSYQMQLRWTLC-UHFFFAOYSA-N 0 0 336.420 3.376 50 0 EGAARN Cc1cc2n(nc1C)c1ccccc1[n+]2Cc1ccc(C(=O)[O-])cc1 ZINC000000386945 452578304 /nfs/dbraw/zinc/57/83/04/452578304.db2.gz CVUFUZSCQHTLSF-UHFFFAOYSA-O 0 0 332.383 3.138 50 0 EGAARN COc1ccc(NC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 ZINC000000399670 452579885 /nfs/dbraw/zinc/57/98/85/452579885.db2.gz XXHWTNYJQYPNGF-UHFFFAOYSA-N 0 0 332.356 3.365 50 0 EGAARN O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCOCC1 ZINC000000425709 452586603 /nfs/dbraw/zinc/58/66/03/452586603.db2.gz SMHWYFWSKVCASE-UHFFFAOYSA-N 0 0 327.167 3.121 50 0 EGAARN COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)no2)cc1 ZINC000000423629 452587189 /nfs/dbraw/zinc/58/71/89/452587189.db2.gz KKDKSIFHTZRRAF-UHFFFAOYSA-N 0 0 326.327 3.419 50 0 aggregator EGAARN COc1ccc(-c2cc(C(=O)Nc3cccc(O)c3)no2)cc1OC ZINC000000425636 452587509 /nfs/dbraw/zinc/58/75/09/452587509.db2.gz LZLYEXBYQJLBRU-UHFFFAOYSA-N 0 0 340.335 3.317 50 0 EGAARN CC(=O)Nc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1 ZINC000000437341 452593282 /nfs/dbraw/zinc/59/32/82/452593282.db2.gz FYGLIUBZOQDEEN-UHFFFAOYSA-N 0 0 348.362 3.089 50 0 EGAARN O=C(/C=C/c1ccco1)OCC(=O)Nc1nc2ccccc2s1 ZINC000000452703 452594464 /nfs/dbraw/zinc/59/44/64/452594464.db2.gz DMUQKCVXLRRGTM-BQYQJAHWSA-N 0 0 328.349 3.084 50 0 EGAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2OC)cc1 ZINC000000470223 452602840 /nfs/dbraw/zinc/60/28/40/452602840.db2.gz XHNPJBCMXXLVJW-UHFFFAOYSA-N 0 0 344.436 3.393 50 0 EGAARN CC1=NN(C(=S)Nc2ccc(F)cc2)[C@]2(O)C[C@@H]3[C@H]([C@H]12)C3(C)C ZINC000000486328 452606371 /nfs/dbraw/zinc/60/63/71/452606371.db2.gz NBEDDHCHYMEBLM-OEUWWYETSA-N 0 0 333.432 3.195 50 0 biogenic EGAARN O=C(c1ccccc1)N1N=CC[C@]1(O)c1ccc(Br)cc1 ZINC000000500881 452608487 /nfs/dbraw/zinc/60/84/87/452608487.db2.gz VJJDUMIQEDFLAX-INIZCTEOSA-N 0 0 345.196 3.126 50 0 EGAARN COc1ccc(O[C@@H](C)C(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000000514358 452609799 /nfs/dbraw/zinc/60/97/99/452609799.db2.gz CYASVZIDEGASQS-LBPRGKRZSA-N 0 0 331.368 3.118 50 0 EGAARN Cc1cc(=O)oc2ccc(OCC(=O)N3CCc4ccccc43)cc12 ZINC000000522077 452611953 /nfs/dbraw/zinc/61/19/53/452611953.db2.gz SOXHXRUVTCZZKK-UHFFFAOYSA-N 0 0 335.359 3.070 50 0 EGAARN Brc1ccc(-c2nn3c(nnc3-c3ccncc3)s2)o1 ZINC000000523627 452612029 /nfs/dbraw/zinc/61/20/29/452612029.db2.gz VDJBFENVENLZIE-UHFFFAOYSA-N 0 0 348.185 3.270 50 0 EGAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1ccncc1 ZINC000000523998 452612407 /nfs/dbraw/zinc/61/24/07/452612407.db2.gz PCXGRLSLAAJXDN-UHFFFAOYSA-N 0 0 333.420 3.499 50 0 EGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000000524512 452612520 /nfs/dbraw/zinc/61/25/20/452612520.db2.gz MRIKEVLHPSWLGY-JTQLQIEISA-N 0 0 330.211 3.409 50 0 EGAARN CCc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000000528715 452614408 /nfs/dbraw/zinc/61/44/08/452614408.db2.gz MOAJRRRIIYMPAZ-UHFFFAOYSA-N 0 0 329.377 3.156 50 0 EGAARN Cc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1N ZINC000000529842 452616093 /nfs/dbraw/zinc/61/60/93/452616093.db2.gz NPJABFVPQLNUTB-UHFFFAOYSA-N 0 0 336.424 3.136 50 0 EGAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000000532245 452616330 /nfs/dbraw/zinc/61/63/30/452616330.db2.gz UTYXLIFJTCEVEH-OAHLLOKOSA-N 0 0 334.847 3.205 50 0 EGAARN Brc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)o1 ZINC000000533023 452616354 /nfs/dbraw/zinc/61/63/54/452616354.db2.gz JVZSVANTWPGNJM-UHFFFAOYSA-N 0 0 348.185 3.270 50 0 EGAARN COC(CNC(=S)Nc1ccc(Nc2ccccc2)cc1)OC ZINC000000537810 452617913 /nfs/dbraw/zinc/61/79/13/452617913.db2.gz OKWKZDQONNGVKY-UHFFFAOYSA-N 0 0 331.441 3.336 50 0 EGAARN Cc1nn(-c2cc(N3CCCCC3)ccc2N)c(=O)c2ccccc12 ZINC000000558809 452622236 /nfs/dbraw/zinc/62/22/36/452622236.db2.gz UMQABOJVFLNDPJ-UHFFFAOYSA-N 0 0 334.423 3.267 50 0 EGAARN COc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000000556460 452622497 /nfs/dbraw/zinc/62/24/97/452622497.db2.gz ZINBHWMFKWTGAI-UHFFFAOYSA-N 0 0 346.814 3.438 50 0 EGAARN FC(F)(F)c1nnc2sc(COc3ccc(Cl)cc3)nn21 ZINC000000714167 452633287 /nfs/dbraw/zinc/63/32/87/452633287.db2.gz MTOIIYCUDJZHMO-UHFFFAOYSA-N 0 0 334.710 3.437 50 0 EGAARN Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1Br ZINC000000617206 452633922 /nfs/dbraw/zinc/63/39/22/452633922.db2.gz XUQGBXCLEFJDJT-UHFFFAOYSA-N 0 0 349.637 3.153 50 0 EGAARN CC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000000967765 452640054 /nfs/dbraw/zinc/64/00/54/452640054.db2.gz DWRKFAJEBUWTQM-BXUZGUMPSA-N 0 0 328.199 3.263 50 0 in-vitro EGAARN Cc1cccc(N(C(=O)c2ccccc2F)[C@H]2C=CS(=O)(=O)C2)c1 ZINC000001235589 452649379 /nfs/dbraw/zinc/64/93/79/452649379.db2.gz PIKRQQGITFNPKO-HNNXBMFYSA-N 0 0 345.395 3.092 50 0 EGAARN COc1cnc(N(C)C)nc1Sc1ccc(Br)cc1 ZINC000001391874 452658665 /nfs/dbraw/zinc/65/86/65/452658665.db2.gz PGPGHSFLFMRQKQ-UHFFFAOYSA-N 0 0 340.246 3.465 50 0 EGAARN COc1ccc(CSc2nc(C)cc(C)c2S(C)(=O)=O)cc1 ZINC000001393818 452658911 /nfs/dbraw/zinc/65/89/11/452658911.db2.gz NLWBCABPDDBVCT-UHFFFAOYSA-N 0 0 337.466 3.403 50 0 EGAARN COC(=O)c1c2n(c(-c3cccc(C)c3)c1C(=O)OC)CSC2 ZINC000001403064 452661816 /nfs/dbraw/zinc/66/18/16/452661816.db2.gz IIMDSFGTRLGKHW-UHFFFAOYSA-N 0 0 331.393 3.241 50 0 EGAARN CCOc1ccccc1[C@H]1CC(=O)Oc2c3ccccc3n(C)c(=O)c21 ZINC000001427892 452663132 /nfs/dbraw/zinc/66/31/32/452663132.db2.gz UBUCRQPAIDMONG-OAHLLOKOSA-N 0 0 349.386 3.378 50 0 EGAARN Nc1cc(C(F)(F)F)ccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000001432050 452665526 /nfs/dbraw/zinc/66/55/26/452665526.db2.gz BKJKGNFXKCFDRP-UHFFFAOYSA-N 0 0 349.356 3.250 50 0 EGAARN CCCOC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000001777859 452679044 /nfs/dbraw/zinc/67/90/44/452679044.db2.gz DPAAJRLHLRTTGR-UHFFFAOYSA-N 0 0 341.363 3.049 50 0 EGAARN O=C(C[C@@H]1SCCNC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002209847 452690165 /nfs/dbraw/zinc/69/01/65/452690165.db2.gz REZRXCLVLZMCSS-INIZCTEOSA-N 0 0 342.420 3.039 50 0 EGAARN CCCNC(=O)c1cc2nc(-c3ccc(OCC)cc3)cc(C)n2n1 ZINC000002306518 452691738 /nfs/dbraw/zinc/69/17/38/452691738.db2.gz KGKAXNIGUGWQPE-UHFFFAOYSA-N 0 0 338.411 3.243 50 0 EGAARN O=C(Nc1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002451767 452698127 /nfs/dbraw/zinc/69/81/27/452698127.db2.gz PUNOMVZHECVCBS-OLZOCXBDSA-N 0 0 343.814 3.153 50 0 EGAARN COc1ccc(CCn2cnc3c4ccc(C)cc4[nH]c3c2=O)cc1 ZINC000002452995 452698170 /nfs/dbraw/zinc/69/81/70/452698170.db2.gz IIALFTPVSGJKHY-UHFFFAOYSA-N 0 0 333.391 3.438 50 0 EGAARN C[C@@]1(C(=O)Nc2cccc3ncccc32)Cc2ccccc2C(=O)O1 ZINC000002709900 452716908 /nfs/dbraw/zinc/71/69/08/452716908.db2.gz ZHQVQFNOJNJLJH-FQEVSTJZSA-N 0 0 332.359 3.345 50 0 EGAARN CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002748182 452718663 /nfs/dbraw/zinc/71/86/63/452718663.db2.gz OFUYFQZEIUKDDO-CQSZACIVSA-N 0 0 326.462 3.140 50 0 EGAARN CCCOC(=O)c1c2c(sc1NC(=O)c1cnccn1)CCCC2 ZINC000002744987 452718763 /nfs/dbraw/zinc/71/87/63/452718763.db2.gz VCXBTLDRPUWRJH-UHFFFAOYSA-N 0 0 345.424 3.236 50 0 EGAARN COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002746679 452719218 /nfs/dbraw/zinc/71/92/18/452719218.db2.gz BWGPGNSHDXEWJR-UHFFFAOYSA-N 0 0 330.815 3.311 50 0 EGAARN CCCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002768933 452722274 /nfs/dbraw/zinc/72/22/74/452722274.db2.gz GDINKCYLRQLCFR-UHFFFAOYSA-N 0 0 330.338 3.474 50 0 EGAARN C[C@@H](C(=O)Nc1nccs1)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002781884 452722330 /nfs/dbraw/zinc/72/23/30/452722330.db2.gz GSDUBYUBTKGYTL-ZETCQYMHSA-N 0 0 330.335 3.436 50 0 EGAARN CCCc1ccccc1OCCNC(=O)c1cc(OC)cc(OC)c1 ZINC000002838873 452727814 /nfs/dbraw/zinc/72/78/14/452727814.db2.gz HJPGVTWWKKNCRR-UHFFFAOYSA-N 0 0 343.423 3.465 50 0 EGAARN O=C(NCc1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002850159 452729977 /nfs/dbraw/zinc/72/99/77/452729977.db2.gz QJMZXWLMXQIHBH-UHFFFAOYSA-N 0 0 347.374 3.129 50 0 EGAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1 ZINC000002882138 452733596 /nfs/dbraw/zinc/73/35/96/452733596.db2.gz WEBFMVQOWCKLEQ-UHFFFAOYSA-N 0 0 329.805 3.119 50 0 EGAARN CCOC(=O)CC(=O)CSc1nc(-c2cccc(C)c2)ns1 ZINC000002917592 452736327 /nfs/dbraw/zinc/73/63/27/452736327.db2.gz BEXOBANTKJQXMZ-UHFFFAOYSA-N 0 0 336.438 3.128 50 0 EGAARN CCCCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000002995426 452738141 /nfs/dbraw/zinc/73/81/41/452738141.db2.gz OHYUJCARXLCJEG-UHFFFAOYSA-N 0 0 335.407 3.378 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1F ZINC000003066837 452742408 /nfs/dbraw/zinc/74/24/08/452742408.db2.gz CSLDRKXNJNJDAZ-YGRLFVJLSA-N 0 0 348.399 3.037 50 0 EGAARN CCCSc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)OCC ZINC000003134488 452743642 /nfs/dbraw/zinc/74/36/42/452743642.db2.gz SPSVXFOVFYNJAR-UHFFFAOYSA-N 0 0 336.388 3.050 50 0 EGAARN CC(C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000003505546 452773884 /nfs/dbraw/zinc/77/38/84/452773884.db2.gz OBDBRLYZGAKXOU-UHFFFAOYSA-N 0 0 343.427 3.003 50 0 EGAARN CCCCN(CCCC)C(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 ZINC000004042724 452790916 /nfs/dbraw/zinc/79/09/16/452790916.db2.gz OJMDJGREWFCSIH-DNVCBOLYSA-N 0 0 339.476 3.306 50 0 biogenic EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc(F)c1 ZINC000004326125 452799759 /nfs/dbraw/zinc/79/97/59/452799759.db2.gz JNFSWIUAMQPKCZ-HZMBPMFUSA-N 0 0 348.399 3.037 50 0 aggregator EGAARN CCOc1ccc([C@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000004387095 452802321 /nfs/dbraw/zinc/80/23/21/452802321.db2.gz QTKPWOBGKDNOGS-OAHLLOKOSA-N 0 0 335.359 3.368 50 0 EGAARN CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 ZINC000004488812 452803743 /nfs/dbraw/zinc/80/37/43/452803743.db2.gz NDMACYCTIXFDQH-GFCCVEGCSA-N 0 0 341.363 3.297 50 0 EGAARN CN(C(=O)c1cccn(Cc2ccccc2F)c1=O)c1ccccc1 ZINC000005270495 452854732 /nfs/dbraw/zinc/85/47/32/452854732.db2.gz DVVFKKXSTCLBOS-UHFFFAOYSA-N 0 0 336.366 3.312 50 0 EGAARN Cn1c(=O)c(C(=O)Nc2cc(Cl)ccc2Cl)cc2cccnc21 ZINC000005303661 452856104 /nfs/dbraw/zinc/85/61/04/452856104.db2.gz CVBUQLFQPMBMOT-UHFFFAOYSA-N 0 0 348.189 3.493 50 0 EGAARN Cc1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1Cl ZINC000005303686 452857287 /nfs/dbraw/zinc/85/72/87/452857287.db2.gz GAVVONSXIYGGTQ-UHFFFAOYSA-N 0 0 327.771 3.148 50 0 EGAARN CN(CCO)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000005328779 452857896 /nfs/dbraw/zinc/85/78/96/452857896.db2.gz JWMYJLLVPVPOGN-UHFFFAOYSA-N 0 0 346.386 3.069 50 0 EGAARN CCc1cc(C(=O)Cc2cc3c(cc2C)OCCO3)c(O)cc1OC ZINC000005341445 452861582 /nfs/dbraw/zinc/86/15/82/452861582.db2.gz KGXZTHHENHLFSU-UHFFFAOYSA-N 0 0 342.391 3.468 50 0 EGAARN COc1ccc(C[NH2+][C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005359836 452863522 /nfs/dbraw/zinc/86/35/22/452863522.db2.gz ZWZVZHFZJWPMDD-INIZCTEOSA-N 0 0 347.798 3.164 50 0 EGAARN O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1ccc(Cl)cc1 ZINC000005398764 452867681 /nfs/dbraw/zinc/86/76/81/452867681.db2.gz RPQNXECEBRBERW-UHFFFAOYSA-N 0 0 340.766 3.341 50 0 EGAARN COc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000005439745 452873997 /nfs/dbraw/zinc/87/39/97/452873997.db2.gz GRVZAGWCUVBSKW-UHFFFAOYSA-N 0 0 338.407 3.393 50 0 EGAARN COc1ccc(-c2noc(CN(C)C(=O)c3cccc(F)c3)n2)cc1 ZINC000005452208 452875746 /nfs/dbraw/zinc/87/57/46/452875746.db2.gz VIDQAFHHFZCOPY-UHFFFAOYSA-N 0 0 341.342 3.157 50 0 EGAARN Cn1nc(-c2ccccc2)c2cc(-c3nnc(S)n3C)sc21 ZINC000005753569 452899785 /nfs/dbraw/zinc/89/97/85/452899785.db2.gz VBHHGDOVCXPKQH-UHFFFAOYSA-N 0 0 327.438 3.386 50 0 EGAARN Cc1nc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000006588011 452956736 /nfs/dbraw/zinc/95/67/36/452956736.db2.gz SPUJLDVBXHTNDV-UHFFFAOYSA-N 0 0 335.860 3.376 50 0 EGAARN COc1ccccc1NC(=O)CCn1c(=O)oc2ccc(Cl)cc21 ZINC000006669335 452967638 /nfs/dbraw/zinc/96/76/38/452967638.db2.gz YOKYRIBIDONDHR-UHFFFAOYSA-N 0 0 346.770 3.285 50 0 EGAARN CCCC(=O)Nc1ccc2c(c1)nc(CCn1ccnc1C)n2C ZINC000006665052 452967677 /nfs/dbraw/zinc/96/76/77/452967677.db2.gz BEQCPLNLURSVRR-UHFFFAOYSA-N 0 0 325.416 3.060 50 0 EGAARN COc1ccc(CCNC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000006698485 452968831 /nfs/dbraw/zinc/96/88/31/452968831.db2.gz NYFAVOWYFOSBTG-UHFFFAOYSA-N 0 0 330.384 3.077 50 0 EGAARN CCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1 ZINC000006703838 452973367 /nfs/dbraw/zinc/97/33/67/452973367.db2.gz FMNNNFJUNAGFOK-UHFFFAOYSA-N 0 0 326.352 3.074 50 0 EGAARN CCOC(=O)C1CCN(CCOc2cc(C)ccc2Cl)CC1 ZINC000006703587 452973611 /nfs/dbraw/zinc/97/36/11/452973611.db2.gz RYCIKOCLWXXKKU-UHFFFAOYSA-N 0 0 325.836 3.302 50 0 EGAARN CCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1CC ZINC000006702667 452973921 /nfs/dbraw/zinc/97/39/21/452973921.db2.gz BDXDUVAXVBEQBS-UHFFFAOYSA-N 0 0 342.827 3.384 50 0 EGAARN Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)ccc1O ZINC000006702987 452974058 /nfs/dbraw/zinc/97/40/58/452974058.db2.gz QSMOMIPVSCVURA-UHFFFAOYSA-N 0 0 328.759 3.187 50 0 EGAARN CSc1nc2c3c(sc2c(SCCO)n1)CC(C)(C)OC3 ZINC000006719609 452975190 /nfs/dbraw/zinc/97/51/90/452975190.db2.gz GWLUPIVPFQPLHW-UHFFFAOYSA-N 0 0 342.511 3.349 50 0 EGAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2C(C)C)c(C)c1 ZINC000006719654 452976360 /nfs/dbraw/zinc/97/63/60/452976360.db2.gz ORERFOKCPRKLEJ-MRXNPFEDSA-N 0 0 325.416 3.430 50 0 EGAARN COc1ccc(-c2noc(CNC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000006729373 452978458 /nfs/dbraw/zinc/97/84/58/452978458.db2.gz PBWWPLKVCFXWMB-UHFFFAOYSA-N 0 0 338.367 3.375 50 0 EGAARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)cc3C)n2)c1 ZINC000006747745 452982420 /nfs/dbraw/zinc/98/24/20/452982420.db2.gz DDLBHNQEXATSBQ-UHFFFAOYSA-N 0 0 333.391 3.410 50 0 EGAARN C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000006757806 452984395 /nfs/dbraw/zinc/98/43/95/452984395.db2.gz XLEMBZPJAMYLLP-JTQLQIEISA-N 0 0 334.301 3.239 50 0 EGAARN CCc1ccc2oc(C(=O)NCc3ccc(OC)cc3)cc(=O)c2c1 ZINC000006811296 452992387 /nfs/dbraw/zinc/99/23/87/452992387.db2.gz XSLDPYVIPZOAGB-UHFFFAOYSA-N 0 0 337.375 3.294 50 0 EGAARN O=C(N[C@H]1CCSC1=O)c1sc2cccc(F)c2c1Cl ZINC000006861922 453000831 /nfs/dbraw/zinc/00/08/31/453000831.db2.gz ZJXPVMPEUMDVHT-ZETCQYMHSA-N 0 0 329.805 3.456 50 0 EGAARN COc1ccc(-c2cc(C(=O)NCCc3sccc3C)[nH]n2)cc1 ZINC000006942659 453010488 /nfs/dbraw/zinc/01/04/88/453010488.db2.gz CKWIDNRHOZWASJ-UHFFFAOYSA-N 0 0 341.436 3.428 50 0 EGAARN O=S(=O)(NCCOc1ccccc1)c1cccc(Cl)c1Cl ZINC000007304380 453056542 /nfs/dbraw/zinc/05/65/42/453056542.db2.gz CBGDMCPMOUXDOW-UHFFFAOYSA-N 0 0 346.235 3.351 50 0 EGAARN CC(C)(C)C(=O)NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000007447129 453076703 /nfs/dbraw/zinc/07/67/03/453076703.db2.gz OIFGTOJCKKUVIS-CQSZACIVSA-N 0 0 336.457 3.104 50 0 EGAARN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3)n2)cc1 ZINC000007759153 453112817 /nfs/dbraw/zinc/11/28/17/453112817.db2.gz RTQGPFYALNQUAI-KPKJPENVSA-N 0 0 335.363 3.075 50 0 EGAARN Cc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1F ZINC000008259526 453182548 /nfs/dbraw/zinc/18/25/48/453182548.db2.gz VDVFIKYFIKRRKQ-UHFFFAOYSA-N 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CCCO[C@@H]1CCCN(C(=O)Nc2cc(NC(C)=O)ccc2C)C1 ZINC000067665562 453954283 /nfs/dbraw/zinc/95/42/83/453954283.db2.gz BDUIBNGXASVZLS-MRXNPFEDSA-N 0 0 333.432 3.376 50 0 EGAARN COc1nccnc1N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067674986 453955119 /nfs/dbraw/zinc/95/51/19/453955119.db2.gz RLBISXPZSXTTKN-UHFFFAOYSA-N 0 0 349.438 3.183 50 0 EGAARN OCCNc1nc(Nc2cc(Cl)ccc2O)nc2ccccc21 ZINC000041149975 453957700 /nfs/dbraw/zinc/95/77/00/453957700.db2.gz CQDFNXJTXWLDRE-UHFFFAOYSA-N 0 0 330.775 3.137 50 0 EGAARN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000055370013 453978454 /nfs/dbraw/zinc/97/84/54/453978454.db2.gz NRKIZKKWZRICOI-GOSISDBHSA-N 0 0 330.403 3.411 50 0 EGAARN COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2ccoc2)c1 ZINC000084833863 454012145 /nfs/dbraw/zinc/01/21/45/454012145.db2.gz IXYNVLRKMYYGIE-JTQLQIEISA-N 0 0 338.201 3.412 50 0 EGAARN Cc1ccc(NC(=O)Nc2cnc(-n3ccnc3)nc2)cc1Cl ZINC000085555585 454032848 /nfs/dbraw/zinc/03/28/48/454032848.db2.gz CLKRTHYIVCBYAS-UHFFFAOYSA-N 0 0 328.763 3.268 50 0 EGAARN COc1ccc([C@H]2CC(=O)c3cc4c(cc3N2)OCO4)cc1OC ZINC000085878442 454041068 /nfs/dbraw/zinc/04/10/68/454041068.db2.gz QTKGDVNPJPWSBD-GFCCVEGCSA-N 0 0 327.336 3.172 50 0 biogenic EGAARN Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)c1cccs1 ZINC000077114843 454064704 /nfs/dbraw/zinc/06/47/04/454064704.db2.gz NSRKAESWHXQYEW-LBPRGKRZSA-N 0 0 345.873 3.112 50 0 EGAARN COc1cccc(NC(=O)NCC2CCN(c3ccccn3)CC2)c1 ZINC000043976453 454084719 /nfs/dbraw/zinc/08/47/19/454084719.db2.gz JPQAPMKSWDMGIW-UHFFFAOYSA-N 0 0 340.427 3.128 50 0 EGAARN CCCc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)n(C)n1 ZINC000077288146 454086336 /nfs/dbraw/zinc/08/63/36/454086336.db2.gz FUGICCVNUFOCHY-ZDUSSCGKSA-N 0 0 343.427 3.025 50 0 EGAARN CCOCCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000077299857 454087615 /nfs/dbraw/zinc/08/76/15/454087615.db2.gz BQHZFUHDCLINRG-HNNXBMFYSA-N 0 0 345.418 3.348 50 0 EGAARN CSCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000077298210 454087871 /nfs/dbraw/zinc/08/78/71/454087871.db2.gz CSYYKUSHSFHMLV-ZDUSSCGKSA-N 0 0 333.432 3.285 50 0 EGAARN Cc1cc(=O)[nH]c(SCc2nc(-c3ccc(C)c(C)c3)no2)n1 ZINC000044169009 454090234 /nfs/dbraw/zinc/09/02/34/454090234.db2.gz IPCOHJQRWUXWPD-UHFFFAOYSA-N 0 0 328.397 3.037 50 0 EGAARN Cc1ccccc1N1CCN(C(=O)c2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000077319807 454090293 /nfs/dbraw/zinc/09/02/93/454090293.db2.gz DYHFKVLYBCKPLK-INIZCTEOSA-N 0 0 326.444 3.123 50 0 EGAARN COc1ccc2c(C)cc(N3C[C@@H](C(C)C)[C@H](NC(C)=O)C3)nc2c1 ZINC000077353718 454095869 /nfs/dbraw/zinc/09/58/69/454095869.db2.gz YJWBWYIFKRPUMA-PKOBYXMFSA-N 0 0 341.455 3.149 50 0 EGAARN CCCc1cc(C(=O)NCc2cc(F)ccc2C(F)(F)F)n(C)n1 ZINC000077389639 454101074 /nfs/dbraw/zinc/10/10/74/454101074.db2.gz HHPOMZWGQLXRGR-UHFFFAOYSA-N 0 0 343.324 3.461 50 0 EGAARN Cc1nc(CN2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)co1 ZINC000077405974 454102256 /nfs/dbraw/zinc/10/22/56/454102256.db2.gz ODVDGKGBPSGIGS-IBGZPJMESA-N 0 0 333.476 3.234 50 0 EGAARN COCC1(C(=O)N2CCC[C@@H](COc3ccc(OC)cc3)C2)CCC1 ZINC000077407212 454102418 /nfs/dbraw/zinc/10/24/18/454102418.db2.gz BXAWWFORKVGPGG-MRXNPFEDSA-N 0 0 347.455 3.129 50 0 EGAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000077452759 454107533 /nfs/dbraw/zinc/10/75/33/454107533.db2.gz HTOFROSEHNNWCQ-OAHLLOKOSA-N 0 0 328.387 3.460 50 0 EGAARN COc1ccc(OC)c([C@H]2CCN(C(=O)CCc3ccccn3)C2)c1 ZINC000077455390 454107869 /nfs/dbraw/zinc/10/78/69/454107869.db2.gz VTKSSMWWLDTYQD-HNNXBMFYSA-N 0 0 340.423 3.048 50 0 EGAARN Cc1cn2c(nc(CN(C)[C@@H](C)c3nc(C)sc3C)cc2=O)s1 ZINC000077458185 454108447 /nfs/dbraw/zinc/10/84/47/454108447.db2.gz JPOKJOMHUOYQHU-JTQLQIEISA-N 0 0 348.497 3.331 50 0 EGAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)c2n[nH]c3c2CCC3)c1C ZINC000077457910 454108542 /nfs/dbraw/zinc/10/85/42/454108542.db2.gz IGGIADKDJPGPHH-UHFFFAOYSA-N 0 0 336.439 3.489 50 0 EGAARN Cc1nc2ccccc2c(=O)n1CC(=O)N(C)c1cccc(Cl)c1 ZINC000044841338 454121818 /nfs/dbraw/zinc/12/18/18/454121818.db2.gz WYRBVNTXHIBHGX-UHFFFAOYSA-N 0 0 341.798 3.021 50 0 EGAARN CCc1nc(C)c(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)o1 ZINC000077554263 454122133 /nfs/dbraw/zinc/12/21/33/454122133.db2.gz JYVRDUDKVMZEPQ-UHFFFAOYSA-N 0 0 344.411 3.238 50 0 EGAARN Cn1cc(-c2nn3c(nnc3-c3ccc(Cl)cc3F)s2)cn1 ZINC000044903604 454125701 /nfs/dbraw/zinc/12/57/01/454125701.db2.gz ITRHYXCCRMKFJG-UHFFFAOYSA-N 0 0 334.767 3.046 50 0 EGAARN COCc1nc2cc(NC(=O)CCc3ccc(OC)cc3)ccc2[nH]1 ZINC000044900868 454125846 /nfs/dbraw/zinc/12/58/46/454125846.db2.gz XQTJQJIEGBLXAX-UHFFFAOYSA-N 0 0 339.395 3.289 50 0 EGAARN COc1ccc(-c2cc(C(=O)NCc3cccs3)[nH]n2)c(OC)c1 ZINC000057477331 454131802 /nfs/dbraw/zinc/13/18/02/454131802.db2.gz JGPVZRDMDWWXPD-UHFFFAOYSA-N 0 0 343.408 3.085 50 0 EGAARN O=C(C1CC=CC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000077734409 454149127 /nfs/dbraw/zinc/14/91/27/454149127.db2.gz GMGIOYYBWQZUNG-UHFFFAOYSA-N 0 0 338.373 3.316 50 0 EGAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccco3)c12 ZINC000071297191 454205223 /nfs/dbraw/zinc/20/52/23/454205223.db2.gz ZBINPWVHIOWZFZ-UHFFFAOYSA-N 0 0 346.390 3.467 50 0 EGAARN Nn1c(=O)c2ccc(Cl)cc2nc1SCc1ccccc1F ZINC000071327756 454205565 /nfs/dbraw/zinc/20/55/65/454205565.db2.gz ADNNRJFKTLGCKK-UHFFFAOYSA-N 0 0 335.791 3.195 50 0 EGAARN COc1cccc(-c2n[nH]cc2C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c1 ZINC000071661441 454210115 /nfs/dbraw/zinc/21/01/15/454210115.db2.gz CAZAZUFWNHKXJY-WVMBZCLNSA-N 0 0 337.423 3.203 50 0 EGAARN CC(C)[C@@H]1CN(Cc2cccc(F)c2F)CCC(=O)N1CC1CC1 ZINC000071661972 454210260 /nfs/dbraw/zinc/21/02/60/454210260.db2.gz ZNTFDUFKAYLQTI-KRWDZBQOSA-N 0 0 336.426 3.434 50 0 EGAARN CCCc1cnc(C)nc1N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071747557 454211256 /nfs/dbraw/zinc/21/12/56/454211256.db2.gz DTIMIJUUFDTMOZ-SFHVURJKSA-N 0 0 344.503 3.211 50 0 EGAARN CS(=O)(=O)c1ccc(-c2nccn2CCOc2ccccc2)cc1 ZINC000071749269 454212909 /nfs/dbraw/zinc/21/29/09/454212909.db2.gz KVCPNROWBADSLO-UHFFFAOYSA-N 0 0 342.420 3.033 50 0 EGAARN Cc1nc[nH]c1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071762044 454215452 /nfs/dbraw/zinc/21/54/52/454215452.db2.gz PIVSDWDWTJFNKQ-ZDUSSCGKSA-N 0 0 333.382 3.481 50 0 EGAARN CC(C)[C@@H]1CN(Cc2cccc(Cl)n2)CCC(=O)N1CC1CC1 ZINC000071771382 454216433 /nfs/dbraw/zinc/21/64/33/454216433.db2.gz RUZVBJQETCSWIG-INIZCTEOSA-N 0 0 335.879 3.204 50 0 EGAARN Cc1ccc(C)c(CSc2nc3cc(F)ccc3c(=O)n2N)c1 ZINC000071768809 454217243 /nfs/dbraw/zinc/21/72/43/454217243.db2.gz XIIZDFMMKGYVSV-UHFFFAOYSA-N 0 0 329.400 3.159 50 0 EGAARN Cc1ccccc1N1C(=O)c2cccc3c(NCCO)ccc(c32)C1=O ZINC000095470889 454218513 /nfs/dbraw/zinc/21/85/13/454218513.db2.gz GSZMYRNMSCJMES-UHFFFAOYSA-N 0 0 346.386 3.353 50 0 EGAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1cn[nH]n1)c1ccccc1 ZINC000095471368 454218726 /nfs/dbraw/zinc/21/87/26/454218726.db2.gz SSFRKWZJNUVAOI-OAHLLOKOSA-N 0 0 328.372 3.416 50 0 EGAARN CC(C)n1ccnc1C1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000095497820 454220625 /nfs/dbraw/zinc/22/06/25/454220625.db2.gz FALCNCDGQDRGIQ-QGZVFWFLSA-N 0 0 333.476 3.111 50 0 EGAARN COc1cc2c(cc1CNC(=O)[C@@H](C)n1ccnc1C(C)C)CCC2 ZINC000095497944 454220647 /nfs/dbraw/zinc/22/06/47/454220647.db2.gz QOKHTZUFDWOBGC-CQSZACIVSA-N 0 0 341.455 3.381 50 0 EGAARN CC(=O)c1cccc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)c1 ZINC000095498063 454221208 /nfs/dbraw/zinc/22/12/08/454221208.db2.gz NGQGAXCVYZNPDY-UHFFFAOYSA-N 0 0 345.402 3.478 50 0 EGAARN COC[C@@H]1CCCN1C(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000095502627 454221868 /nfs/dbraw/zinc/22/18/68/454221868.db2.gz YLVAJYUZXYYCHC-ZDUSSCGKSA-N 0 0 334.807 3.168 50 0 EGAARN CCc1nccn1CCNC(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000095508246 454223828 /nfs/dbraw/zinc/22/38/28/454223828.db2.gz FUJHPJHOMWTNIM-UHFFFAOYSA-N 0 0 336.439 3.349 50 0 EGAARN CCCCn1ccnc1C1CCN(C(=O)c2ccc(CO)cc2)CC1 ZINC000095519475 454226611 /nfs/dbraw/zinc/22/66/11/454226611.db2.gz HYZCXMDVOGFYIJ-UHFFFAOYSA-N 0 0 341.455 3.195 50 0 EGAARN CC[C@@H](O)Cn1nc(C2CCCC2)nc1-c1n[nH]c2ccccc21 ZINC000095518359 454226785 /nfs/dbraw/zinc/22/67/85/454226785.db2.gz HTFQSEUBJUFBRO-CYBMUJFWSA-N 0 0 325.416 3.250 50 0 EGAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000095530504 454228958 /nfs/dbraw/zinc/22/89/58/454228958.db2.gz YVYBCJDYAIJCAD-HNNXBMFYSA-N 0 0 330.432 3.308 50 0 EGAARN Cc1nn(C)c(C)c1CN(C(=O)[C@H]1COc2ccccc2C1)C(C)C ZINC000095528353 454229178 /nfs/dbraw/zinc/22/91/78/454229178.db2.gz KDRRFKVCISQSHA-QGZVFWFLSA-N 0 0 341.455 3.025 50 0 EGAARN O=C(Nc1ccccn1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000046330056 454242066 /nfs/dbraw/zinc/24/20/66/454242066.db2.gz MZWSGNUCLSNWRP-UHFFFAOYSA-N 0 0 347.353 3.449 50 0 EGAARN CCCCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 ZINC000059744499 454261312 /nfs/dbraw/zinc/26/13/12/454261312.db2.gz IBWDWVJCACVOIK-MRXNPFEDSA-N 0 0 331.460 3.361 50 0 EGAARN CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2NC(=O)OCc2ccccc2)C1 ZINC000096029456 454264761 /nfs/dbraw/zinc/26/47/61/454264761.db2.gz VACVJJYUNIUHBU-HNAYVOBHSA-N 0 0 346.427 3.312 50 0 EGAARN COc1cccc(SCC(=O)N2CCO[C@H](c3ccccc3)C2)c1 ZINC000120164452 454266663 /nfs/dbraw/zinc/26/66/63/454266663.db2.gz XBLIOOAOLUXUOC-SFHVURJKSA-N 0 0 343.448 3.387 50 0 EGAARN CCc1ccc(S(=O)(=O)NC[C@H](OC)c2ccsc2)s1 ZINC000096097431 454281272 /nfs/dbraw/zinc/28/12/72/454281272.db2.gz VZDNQDXPGCHITK-LBPRGKRZSA-N 0 0 331.484 3.038 50 0 EGAARN CSc1ccccc1C(=O)NCCn1ccc(-c2ccncc2)n1 ZINC000096098799 454282611 /nfs/dbraw/zinc/28/26/11/454282611.db2.gz BFHITWAORFQZCA-UHFFFAOYSA-N 0 0 338.436 3.097 50 0 EGAARN CO[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccc(C)s1 ZINC000096104850 454283354 /nfs/dbraw/zinc/28/33/54/454283354.db2.gz NGZSMVBZRIQLFW-HNNXBMFYSA-N 0 0 346.452 3.116 50 0 EGAARN CSc1ccc([C@@H](O)CNC(=O)NCc2ccc(F)cc2)cc1 ZINC000096103303 454283388 /nfs/dbraw/zinc/28/33/88/454283388.db2.gz KLMGVLYXCWKJRJ-INIZCTEOSA-N 0 0 334.416 3.080 50 0 EGAARN CCc1nc(C)ccc1OCc1nc([C@@H]2CCOC2)nn1C(C)(C)C ZINC000096136749 454291333 /nfs/dbraw/zinc/29/13/33/454291333.db2.gz DYUISGVJYZNKEK-CQSZACIVSA-N 0 0 344.459 3.382 50 0 EGAARN OC1(CCNc2ncnc3c2Cc2ccccc2OC3)CCCC1 ZINC000096138441 454291542 /nfs/dbraw/zinc/29/15/42/454291542.db2.gz XVSUKDYRCKDKJS-UHFFFAOYSA-N 0 0 325.412 3.067 50 0 EGAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000096148916 454292472 /nfs/dbraw/zinc/29/24/72/454292472.db2.gz VJHSYUMIJXZMLH-CQSZACIVSA-N 0 0 331.847 3.440 50 0 EGAARN CSCCc1nc([C@]2(C)CCCO2)n(-c2ccc(F)c(F)c2)n1 ZINC000096150438 454293186 /nfs/dbraw/zinc/29/31/86/454293186.db2.gz PYTGFILAYHGYSK-INIZCTEOSA-N 0 0 339.411 3.477 50 0 EGAARN CC(C)C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1ncnn1C ZINC000096141831 454293395 /nfs/dbraw/zinc/29/33/95/454293395.db2.gz RTAQQHQXHSECEJ-CYBMUJFWSA-N 0 0 344.444 3.334 50 0 EGAARN CCOc1ccc(NC(=O)NC[C@H](C)n2nc(C)cc2C)c(F)c1 ZINC000096150836 454293760 /nfs/dbraw/zinc/29/37/60/454293760.db2.gz UOCXWTVZJXNRJS-ZDUSSCGKSA-N 0 0 334.395 3.420 50 0 EGAARN CCCCn1nc(-c2ccc(C)o2)nc1[C@H](C)CN1CCOCC1 ZINC000096153503 454294742 /nfs/dbraw/zinc/29/47/42/454294742.db2.gz HACHQJQWVQTQCP-CQSZACIVSA-N 0 0 332.448 3.082 50 0 EGAARN Fc1ccc(OCc2nc(-c3ccc4nc[nH]c4c3)no2)c(F)c1 ZINC000096166655 454296847 /nfs/dbraw/zinc/29/68/47/454296847.db2.gz LHDGMBVLWAYHCA-UHFFFAOYSA-N 0 0 328.278 3.470 50 0 EGAARN C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1nncn1C ZINC000047316700 454355673 /nfs/dbraw/zinc/35/56/73/454355673.db2.gz CCAKMVKOPNYLIQ-OAHLLOKOSA-N 0 0 334.423 3.215 50 0 EGAARN COc1ccc(CCn2c(Cl)nc3ccccc3c2=O)cc1OC ZINC000096511652 454373455 /nfs/dbraw/zinc/37/34/55/454373455.db2.gz JIFAESNDDWSRAJ-UHFFFAOYSA-N 0 0 344.798 3.310 50 0 EGAARN COc1cccc([C@@H]2CC(=O)c3cc4c(cc3N2)OCO4)c1OC ZINC000079193704 454380274 /nfs/dbraw/zinc/38/02/74/454380274.db2.gz PZGBKVUXUZQLPW-LBPRGKRZSA-N 0 0 327.336 3.172 50 0 biogenic EGAARN COc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000047539413 454383409 /nfs/dbraw/zinc/38/34/09/454383409.db2.gz XTNBPBZRSGMYQC-UHFFFAOYSA-N 0 0 338.423 3.323 50 0 EGAARN CN(Cc1nc(C2CC2)no1)C(=O)c1ccc([C@@H]2CCCO2)s1 ZINC000091270197 454420314 /nfs/dbraw/zinc/42/03/14/454420314.db2.gz HLTHTHHVISURAR-NSHDSACASA-N 0 0 333.413 3.132 50 0 EGAARN 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O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1c(F)cccc1F ZINC000225571152 456094174 /nfs/dbraw/zinc/09/41/74/456094174.db2.gz MDNDRPUQYILVHX-UHFFFAOYSA-N 0 0 342.227 3.279 50 0 EGAARN O=C(NCc1ccc(-c2ccoc2)cc1)[C@H]1COc2ccccc2O1 ZINC000390830019 457444630 /nfs/dbraw/zinc/44/46/30/457444630.db2.gz IDYJHUJADBLHBD-LJQANCHMSA-N 0 0 335.359 3.403 50 0 EGAARN CCn1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc1N(C)C ZINC000426383189 457817863 /nfs/dbraw/zinc/81/78/63/457817863.db2.gz YFDRDTVPPADFJZ-UHFFFAOYSA-N 0 0 343.475 3.290 50 0 EGAARN CCN(CC)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426393113 457821002 /nfs/dbraw/zinc/82/10/02/457821002.db2.gz ZQBKLEKWVIJZBT-UHFFFAOYSA-N 0 0 347.484 3.393 50 0 EGAARN CCCn1ncnc1[C@@H](C)NC(=O)c1cc2cccc(C)c2nc1C ZINC000426414672 457827004 /nfs/dbraw/zinc/82/70/04/457827004.db2.gz PWNFMORKNHBVQW-CQSZACIVSA-N 0 0 337.427 3.344 50 0 EGAARN Cc1ccc(NC(=O)N(C)CCCc2nccn2C)c2cccnc12 ZINC000426421372 457829041 /nfs/dbraw/zinc/82/90/41/457829041.db2.gz YNGSHGNLYOKROT-UHFFFAOYSA-N 0 0 337.427 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0 0 349.398 3.273 50 0 EGAARN CC(C)(O)CCc1ccc(C(=O)N2CCc3c(O)cccc3C2)cc1 ZINC000072436749 216232095 /nfs/dbraw/zinc/23/20/95/216232095.db2.gz OJWMVLAHDXBPPS-UHFFFAOYSA-N 0 0 339.435 3.294 50 0 EGAARN CC(C)(O)CCc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000072438666 216233996 /nfs/dbraw/zinc/23/39/96/216233996.db2.gz RBKPPFWHNSDCMW-QZTJIDSGSA-N 0 0 331.456 3.174 50 0 EGAARN CN(Cc1cc(C2CC2)n[nH]1)Cc1cn(C)nc1-c1ccccc1F ZINC000072439408 216234077 /nfs/dbraw/zinc/23/40/77/216234077.db2.gz UQATVDAJJIBVPQ-UHFFFAOYSA-N 0 0 339.418 3.459 50 0 EGAARN Cc1nn2c(nc(C)cc2NCc2noc(Cc3ccccc3)n2)c1C ZINC000072463100 216244972 /nfs/dbraw/zinc/24/49/72/216244972.db2.gz VVXRSEJRMBSSHB-UHFFFAOYSA-N 0 0 348.410 3.240 50 0 EGAARN Cc1nc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cs1 ZINC000072463005 216245639 /nfs/dbraw/zinc/24/56/39/216245639.db2.gz PXFIUEOUKADEAZ-UHFFFAOYSA-N 0 0 344.465 3.024 50 0 EGAARN Cc1cc2nc(C(C)C)cc(N[C@H](C)c3cn4ncsc4n3)n2n1 ZINC000072462673 216245803 /nfs/dbraw/zinc/24/58/03/216245803.db2.gz ZQPFFFFJXYRTNV-LLVKDONJSA-N 0 0 341.444 3.438 50 0 EGAARN Cc1nc(CCNC(=O)COc2cc(C)c(Cl)c(C)c2)cs1 ZINC000027792843 212579352 /nfs/dbraw/zinc/57/93/52/212579352.db2.gz UNDGMSZCMXFIKN-UHFFFAOYSA-N 0 0 338.860 3.459 50 0 EGAARN CCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000027794911 212578763 /nfs/dbraw/zinc/57/87/63/212578763.db2.gz ASZWIKOVMSAJTK-UHFFFAOYSA-N 0 0 326.352 3.059 50 0 EGAARN Cc1nc(C(=O)Nc2nn(C)c3cccc(OC(C)C)c23)cs1 ZINC000072475501 216252746 /nfs/dbraw/zinc/25/27/46/216252746.db2.gz JGFIQWLPIUAQEO-UHFFFAOYSA-N 0 0 330.413 3.378 50 0 EGAARN Cc1nnc(NC(=O)N2CCCC[C@H]2CCc2ccccn2)s1 ZINC000023311944 212367555 /nfs/dbraw/zinc/36/75/55/212367555.db2.gz CQMYOYSAFJRXCJ-AWEZNQCLSA-N 0 0 331.445 3.261 50 0 EGAARN O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1ccncc1 ZINC000023127305 212350825 /nfs/dbraw/zinc/35/08/25/212350825.db2.gz NNEDHJUJCIUZPE-UHFFFAOYSA-N 0 0 333.347 3.342 50 0 EGAARN O=C(NC[C@H](c1ccsc1)N1CCOCC1)Nc1cccs1 ZINC000022679217 212316560 /nfs/dbraw/zinc/31/65/60/212316560.db2.gz KSVMZGOSZMXELH-CYBMUJFWSA-N 0 0 337.470 3.005 50 0 EGAARN O=C(NC[C@@H](c1ccsc1)N1CCOCC1)Nc1cccs1 ZINC000022679221 212316436 /nfs/dbraw/zinc/31/64/36/212316436.db2.gz KSVMZGOSZMXELH-ZDUSSCGKSA-N 0 0 337.470 3.005 50 0 EGAARN COc1ccc(C[C@@](C)(O)CNC(=O)Nc2ccccc2Cl)cc1 ZINC000075155596 216587149 /nfs/dbraw/zinc/58/71/49/216587149.db2.gz XRQZVFLHUQPUFP-GOSISDBHSA-N 0 0 348.830 3.464 50 0 EGAARN COc1ccc(-c2cc(=O)oc(-c3ccccc3OC)n2)cc1OC ZINC000022241883 212284713 /nfs/dbraw/zinc/28/47/13/212284713.db2.gz YWEUPFWLSDDYBS-UHFFFAOYSA-N 0 0 339.347 3.395 50 0 EGAARN Cc1ccc2[nH]c(CN(C)C(=O)c3nc4cc(F)ccc4[nH]3)nc2c1 ZINC000215322340 241120553 /nfs/dbraw/zinc/12/05/53/241120553.db2.gz LDWJLWXAYRJJEX-UHFFFAOYSA-N 0 0 337.358 3.159 50 0 EGAARN Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000214961903 241100366 /nfs/dbraw/zinc/10/03/66/241100366.db2.gz RWSGUCNPLRNGRD-UHFFFAOYSA-N 0 0 325.334 3.360 50 0 EGAARN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000214969369 241101189 /nfs/dbraw/zinc/10/11/89/241101189.db2.gz MSHVJYDJKUWBGQ-INIZCTEOSA-N 0 0 337.826 3.158 50 0 EGAARN Cc1ccn(CCC(=O)NCCc2c(C)[nH]c3ccc(Cl)cc32)n1 ZINC000215021751 241103215 /nfs/dbraw/zinc/10/32/15/241103215.db2.gz KXTCVCGMLPVBLZ-UHFFFAOYSA-N 0 0 344.846 3.384 50 0 EGAARN COc1cc2c(cc1CN(Cc1ccncc1)C1CC1)OCCCO2 ZINC000215237742 241114463 /nfs/dbraw/zinc/11/44/63/241114463.db2.gz ZUWAXVJUIVDSRS-UHFFFAOYSA-N 0 0 340.423 3.416 50 0 EGAARN CSc1ncc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000215260785 241115776 /nfs/dbraw/zinc/11/57/76/241115776.db2.gz CTCHXUFWNNEHHF-GFCCVEGCSA-N 0 0 331.441 3.163 50 0 EGAARN O=C(c1cc(Cl)c[nH]1)N(Cc1cccnc1)Cc1cccnc1 ZINC000215287799 241116296 /nfs/dbraw/zinc/11/62/96/241116296.db2.gz HAKGRYIHKHCGJL-UHFFFAOYSA-N 0 0 326.787 3.301 50 0 EGAARN CCc1nn(C)c(Cl)c1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000215316535 241119091 /nfs/dbraw/zinc/11/90/91/241119091.db2.gz AOUCYPVUXVLKMI-UHFFFAOYSA-N 0 0 329.835 3.112 50 0 EGAARN O=C(CCc1c(F)cccc1Cl)N[C@@H]1CCN(c2ccccn2)C1 ZINC000206826971 241051187 /nfs/dbraw/zinc/05/11/87/241051187.db2.gz ZTPYBPCQJDDGDP-CYBMUJFWSA-N 0 0 347.821 3.202 50 0 EGAARN O=C(Cn1cnc2ccccc21)NCc1cncc(-c2ccsc2)c1 ZINC000206947080 241056201 /nfs/dbraw/zinc/05/62/01/241056201.db2.gz HTPPECZZVOKIRN-UHFFFAOYSA-N 0 0 348.431 3.476 50 0 EGAARN Cc1cc2ncc(CCCNC(=O)CCc3ccccc3C)cn2n1 ZINC000207995152 241065421 /nfs/dbraw/zinc/06/54/21/241065421.db2.gz FZKCJHLJQAHBPZ-UHFFFAOYSA-N 0 0 336.439 3.028 50 0 EGAARN Cc1cnc2c(Cl)c(C(=O)N3CC[C@H]3c3cccs3)nn2c1 ZINC000216033332 241160889 /nfs/dbraw/zinc/16/08/89/241160889.db2.gz ZYYNNEPSGHBMCI-JTQLQIEISA-N 0 0 332.816 3.340 50 0 EGAARN COc1cc(OC)c(CN2CC(Oc3ccc(F)cc3)C2)c(OC)c1 ZINC000216090570 241162358 /nfs/dbraw/zinc/16/23/58/241162358.db2.gz KDWOFOYTMCEUOH-UHFFFAOYSA-N 0 0 347.386 3.115 50 0 EGAARN CCOc1c(CN(C)C(=O)c2cc(C)nc(C)c2)cccc1OC ZINC000216435378 241190698 /nfs/dbraw/zinc/19/06/98/241190698.db2.gz ZWCPWVWEJATCKQ-UHFFFAOYSA-N 0 0 328.412 3.378 50 0 EGAARN Cn1cc(CN(Cc2cocn2)Cc2cocn2)c(-c2ccccc2)n1 ZINC000215482973 241128680 /nfs/dbraw/zinc/12/86/80/241128680.db2.gz DFLQXAGDHAQWBA-UHFFFAOYSA-N 0 0 349.394 3.266 50 0 EGAARN O=C1NC[C@]2(CCCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)O1 ZINC000215633479 241137775 /nfs/dbraw/zinc/13/77/75/241137775.db2.gz QBKPPHDRLVLPMF-KRWDZBQOSA-N 0 0 347.415 3.024 50 0 EGAARN Cc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)o1 ZINC000218878796 241350528 /nfs/dbraw/zinc/35/05/28/241350528.db2.gz ZLISJYOWNQPUJG-LADRWXRNSA-N 0 0 341.407 3.073 50 0 EGAARN Cc1cc([C@@H]2CCCN2C(=O)CCn2c(C)nc3ccccc32)no1 ZINC000219187026 241370528 /nfs/dbraw/zinc/37/05/28/241370528.db2.gz GUGWUUUCMCWLDY-SFHVURJKSA-N 0 0 338.411 3.395 50 0 EGAARN CCc1cc(CNC(=O)c2ccccc2OC(F)(F)C(F)F)on1 ZINC000219309959 241377416 /nfs/dbraw/zinc/37/74/16/241377416.db2.gz VHCXQJYXFSAVPG-UHFFFAOYSA-N 0 0 346.280 3.404 50 0 EGAARN Cc1ccc2oc(N[C@@H]3COCC[C@@H]3OCc3cscn3)nc2c1 ZINC000220017032 241426216 /nfs/dbraw/zinc/42/62/16/241426216.db2.gz WUNYRFJIWJDPNO-CABCVRRESA-N 0 0 345.424 3.379 50 0 EGAARN O=C(Cc1ccccn1)NCc1cc(-c2ccc(Cl)cc2)no1 ZINC000220108876 241428155 /nfs/dbraw/zinc/42/81/55/241428155.db2.gz DLCSBZADUNKEIJ-UHFFFAOYSA-N 0 0 327.771 3.249 50 0 EGAARN O=S(=O)(c1cccnc1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219541689 241395830 /nfs/dbraw/zinc/39/58/30/241395830.db2.gz YHSMDIUOOZCUQX-CQSZACIVSA-N 0 0 340.495 3.012 50 0 EGAARN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000221382608 241467162 /nfs/dbraw/zinc/46/71/62/241467162.db2.gz URTFOHUEMRDTBI-HNNXBMFYSA-N 0 0 347.418 3.227 50 0 EGAARN C[C@@H]1CN(C(=O)COc2ccccc2Cl)c2ccccc2NC1=O ZINC000021803842 212252121 /nfs/dbraw/zinc/25/21/21/212252121.db2.gz LNJKOEYEZVEORK-GFCCVEGCSA-N 0 0 344.798 3.340 50 0 EGAARN COc1cccc(SCC(=O)N[C@@H]2COC3(C2)CCCCC3)c1 ZINC000223542202 241662210 /nfs/dbraw/zinc/66/22/10/241662210.db2.gz OUWMIEJSKTYANT-AWEZNQCLSA-N 0 0 335.469 3.395 50 0 EGAARN COc1ccc(SCCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000021009857 212198980 /nfs/dbraw/zinc/19/89/80/212198980.db2.gz PORQLQPYSHQICP-UHFFFAOYSA-N 0 0 342.420 3.163 50 0 EGAARN CN(Cc1nc(CCc2ccccc2)no1)C[C@H](O)c1ccccc1 ZINC000020996456 212196333 /nfs/dbraw/zinc/19/63/33/212196333.db2.gz CFJSXRUFALWMAT-SFHVURJKSA-N 0 0 337.423 3.020 50 0 EGAARN COc1cncc([C@@H](Nc2ncnc3ccsc32)[C@H]2C[C@H](O)C2)c1 ZINC000244673897 243054981 /nfs/dbraw/zinc/05/49/81/243054981.db2.gz HXQIFBWPFXCSLH-WBIUFABUSA-N 0 0 342.424 3.019 50 0 EGAARN CCCn1ncc(-c2ccnc(NCc3cnc4ccccn34)n2)c1C ZINC000020866409 212179173 /nfs/dbraw/zinc/17/91/73/212179173.db2.gz FZYVGAXCFDYIPR-UHFFFAOYSA-N 0 0 347.426 3.318 50 0 EGAARN COCCN(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCCC1 ZINC000244691987 243059374 /nfs/dbraw/zinc/05/93/74/243059374.db2.gz JMNXQGLYVRNJMV-HNNXBMFYSA-N 0 0 336.451 3.112 50 0 EGAARN Cc1nccc(-c2cccc(-c3ccn(CC(=O)NCC(C)C)n3)c2)n1 ZINC000020777626 212170661 /nfs/dbraw/zinc/17/06/61/212170661.db2.gz VGBMGRPPHQOBTM-UHFFFAOYSA-N 0 0 349.438 3.088 50 0 EGAARN O[C@@H](c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020813078 212174095 /nfs/dbraw/zinc/17/40/95/212174095.db2.gz FUDJAHCMDYNXAS-OALUTQOASA-N 0 0 331.843 3.489 50 0 EGAARN O=C(Cn1ccc2ccccc21)NCc1nc(C2CCCCC2)no1 ZINC000244723879 243069923 /nfs/dbraw/zinc/06/99/23/243069923.db2.gz MJEXYBDCZWJHQX-UHFFFAOYSA-N 0 0 338.411 3.388 50 0 EGAARN C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc(Cl)ccc1OCC(=O)[O-] ZINC000244734811 243069953 /nfs/dbraw/zinc/06/99/53/243069953.db2.gz NMJGYWKBODRDIX-CYBMUJFWSA-N 0 0 348.830 3.261 50 0 EGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2[nH]cnc2c1)CC3 ZINC000020736404 212167073 /nfs/dbraw/zinc/16/70/73/212167073.db2.gz QMKSRFVGVFMXCC-UHFFFAOYSA-N 0 0 346.390 3.251 50 0 biogenic EGAARN C[C@@H](CCc1ccco1)NC(=O)Cc1cnc(-n2cccc2)s1 ZINC000020736187 212166381 /nfs/dbraw/zinc/16/63/81/212166381.db2.gz RIBGHGHKANHBCH-ZDUSSCGKSA-N 0 0 329.425 3.207 50 0 EGAARN Cc1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)n1 ZINC000020718570 212163589 /nfs/dbraw/zinc/16/35/89/212163589.db2.gz GZCXISVTAVKRAM-GFCCVEGCSA-N 0 0 349.843 3.092 50 0 EGAARN O=C(c1cccc2nccnc21)N1CCO[C@H](CC2CCCCC2)C1 ZINC000020652560 212160468 /nfs/dbraw/zinc/16/04/68/212160468.db2.gz YIJPJTADIPJBPS-MRXNPFEDSA-N 0 0 339.439 3.441 50 0 EGAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccoc2)c(C)c1 ZINC000020606726 212153440 /nfs/dbraw/zinc/15/34/40/212153440.db2.gz LXSVJFYUXHHQTD-KRWDZBQOSA-N 0 0 349.394 3.416 50 0 EGAARN CCCCC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000020607489 212153476 /nfs/dbraw/zinc/15/34/76/212153476.db2.gz VKLFSNMGGRQXSI-LLVKDONJSA-N 0 0 331.382 3.476 50 0 EGAARN OCC[C@H]1CN(Cc2cccc(F)c2)CCN1Cc1ccc(F)cc1 ZINC000020542480 212146133 /nfs/dbraw/zinc/14/61/33/212146133.db2.gz XXMHDYPCXLGBJI-FQEVSTJZSA-N 0 0 346.421 3.034 50 0 EGAARN COCc1cccc(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)c1 ZINC000252518163 243843956 /nfs/dbraw/zinc/84/39/56/243843956.db2.gz AEWNMTPGLNAWFL-HLLBOEOZSA-N 0 0 331.437 3.137 50 0 EGAARN Cc1c[nH]c(CN(Cc2ccc3c(c2)OCO3)C2CC2)c(C)c1=O ZINC000253537428 244017647 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3.272 50 0 EGAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000010217386 211154705 /nfs/dbraw/zinc/15/47/05/211154705.db2.gz WGLQRUMMWNSQDV-UHFFFAOYSA-N 0 0 346.433 3.342 50 0 EGAARN COc1ccc(Br)cc1C(=O)n1cnc2ccccc21 ZINC000009695702 211116167 /nfs/dbraw/zinc/11/61/67/211116167.db2.gz SHGZRTHFOURJGC-UHFFFAOYSA-N 0 0 331.169 3.496 50 0 EGAARN CCOCCCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000009698608 211116786 /nfs/dbraw/zinc/11/67/86/211116786.db2.gz HXEVKJWQRFAZOK-UHFFFAOYSA-N 0 0 332.425 3.157 50 0 EGAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccno1 ZINC000009625178 211109359 /nfs/dbraw/zinc/10/93/59/211109359.db2.gz ICXQDCVULUMCLO-UHFFFAOYSA-N 0 0 328.349 3.442 50 0 EGAARN Brc1cncc(-c2nn3c(nnc3-c3ccco3)s2)c1 ZINC000009531902 211100237 /nfs/dbraw/zinc/10/02/37/211100237.db2.gz LBXQCQUVRXBGDN-UHFFFAOYSA-N 0 0 348.185 3.270 50 0 EGAARN COc1ccc2c(c1)CCc1c(-c3nc(-c4ccccn4)no3)n[nH]c1-2 ZINC000009421357 211081544 /nfs/dbraw/zinc/08/15/44/211081544.db2.gz BNKLNYAEBDUYNK-UHFFFAOYSA-N 0 0 345.362 3.296 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330.775 3.117 50 0 EGAARN Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)C(C)C)cc2c1 ZINC000009235793 211056677 /nfs/dbraw/zinc/05/66/77/211056677.db2.gz UNGKBUWJIFBHOP-QGZVFWFLSA-N 0 0 342.439 3.000 50 0 EGAARN CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2CC)ccc1C ZINC000009191885 211050698 /nfs/dbraw/zinc/05/06/98/211050698.db2.gz GKUXCANHNRTQMQ-UHFFFAOYSA-N 0 0 346.452 3.108 50 0 EGAARN CCCOc1nn(CCC)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009071081 211038043 /nfs/dbraw/zinc/03/80/43/211038043.db2.gz WZHFLTLJRORGGJ-UHFFFAOYSA-N 0 0 345.399 3.105 50 0 EGAARN Cc1ccc2nc(NC(=O)C=Cc3ccc4c(c3)OCO4)sc2c1 ZINC000009015782 211032021 /nfs/dbraw/zinc/03/20/21/211032021.db2.gz PHKCFJJKKFIYQZ-QPJJXVBHSA-N 0 0 338.388 3.407 50 0 aggregator EGAARN COc1cccc2c1OC[C@H](C(=O)NCc1cccc(SC)c1)C2 ZINC000095367823 218300750 /nfs/dbraw/zinc/30/07/50/218300750.db2.gz HTSHXZFMTZJVSN-OAHLLOKOSA-N 0 0 343.448 3.285 50 0 EGAARN COc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1OC ZINC000009053935 211035939 /nfs/dbraw/zinc/03/59/39/211035939.db2.gz 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218302479 /nfs/dbraw/zinc/30/24/79/218302479.db2.gz FJLTXGKSMKRVQU-SFHVURJKSA-N 0 0 335.407 3.263 50 0 EGAARN O=C(NC1CCCCC1)N1CCC(Nc2nnc(C3CCC3)o2)CC1 ZINC000095369613 218302492 /nfs/dbraw/zinc/30/24/92/218302492.db2.gz JBFHGIBYXDQNGL-UHFFFAOYSA-N 0 0 347.463 3.256 50 0 EGAARN COc1ccc(CN(Cc2ccco2)C(=S)NC2CC2)cc1OC ZINC000008991989 211028327 /nfs/dbraw/zinc/02/83/27/211028327.db2.gz FZIWGRJELTUVHJ-UHFFFAOYSA-N 0 0 346.452 3.336 50 0 EGAARN CN1Cc2ccccc2C[C@@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000095378540 218311517 /nfs/dbraw/zinc/31/15/17/218311517.db2.gz JHZLMVFWWUHVET-LJQANCHMSA-N 0 0 347.418 3.015 50 0 EGAARN COc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2)cc1 ZINC000008915652 211017674 /nfs/dbraw/zinc/01/76/74/211017674.db2.gz BXOHOSOHPIAPBF-UHFFFAOYSA-N 0 0 339.351 3.071 50 0 EGAARN O=C([O-])[C@H](c1cccc(O)c1)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000095387970 218319758 /nfs/dbraw/zinc/31/97/58/218319758.db2.gz QFJAKLJNQSIJMO-SFHVURJKSA-N 0 0 327.355 3.446 50 0 EGAARN Cc1nc2ccsc2c(N2CCC[C@H](C(=O)c3ccccn3)C2)n1 ZINC000095390930 218322469 /nfs/dbraw/zinc/32/24/69/218322469.db2.gz WOIZDTOVOKVQHS-ZDUSSCGKSA-N 0 0 338.436 3.494 50 0 EGAARN Cc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1 ZINC000095385987 218318334 /nfs/dbraw/zinc/31/83/34/218318334.db2.gz XGLCSPHYGOCGSV-QGZVFWFLSA-N 0 0 333.439 3.414 50 0 EGAARN COc1ccc([C@H]2[C@@H](CO)CCC(=O)N2Cc2ccccc2)cc1 ZINC000008729932 210993082 /nfs/dbraw/zinc/99/30/82/210993082.db2.gz HWIROWYMGBONMT-XLIONFOSSA-N 0 0 325.408 3.167 50 0 EGAARN CC(C)c1nc(CCNC(=O)[C@H]2COc3ccccc3C2)cs1 ZINC000095496471 218413036 /nfs/dbraw/zinc/41/30/36/218413036.db2.gz NKTBZFOIYUTJRY-CQSZACIVSA-N 0 0 330.453 3.177 50 0 EGAARN CSCc1nc(CNC(=O)[C@@H](c2ccccc2C)N(C)C)cs1 ZINC000095503847 218418117 /nfs/dbraw/zinc/41/81/17/218418117.db2.gz VRWIKFSFTVADKD-MRXNPFEDSA-N 0 0 349.525 3.234 50 0 EGAARN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cc[nH]c2)C1 ZINC000095526153 218430960 /nfs/dbraw/zinc/43/09/60/218430960.db2.gz KBEDITPWVVTBMR-LJQANCHMSA-N 0 0 326.396 3.228 50 0 EGAARN COc1cccc(Cn2nc(-c3ccc(C)o3)nc2[C@@H]2CCOC2)c1 ZINC000095528240 218431840 /nfs/dbraw/zinc/43/18/40/218431840.db2.gz GFXRYHCYRGNPMF-OAHLLOKOSA-N 0 0 339.395 3.407 50 0 EGAARN O=C(Nc1ccc(Br)cn1)C(=O)c1c[nH]c2ccccc12 ZINC000095929314 218450639 /nfs/dbraw/zinc/45/06/39/218450639.db2.gz NVWBANBBIDFPJS-UHFFFAOYSA-N 0 0 344.168 3.147 50 0 EGAARN O=C(NCCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1 ZINC000096026191 218516731 /nfs/dbraw/zinc/51/67/31/218516731.db2.gz XOJONGDQUOSTHX-UHFFFAOYSA-N 0 0 346.496 3.201 50 0 EGAARN O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2ccccc2)c1 ZINC000007573745 210814605 /nfs/dbraw/zinc/81/46/05/210814605.db2.gz CXXKXIVZXKFPGP-UHFFFAOYSA-N 0 0 340.329 3.427 50 0 EGAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cccn1 ZINC000096096734 218590253 /nfs/dbraw/zinc/59/02/53/218590253.db2.gz LTVRWVIFABWLIK-UHFFFAOYSA-N 0 0 346.843 3.285 50 0 EGAARN CSc1ccccc1C(=O)NC[C@@H](O)c1cn(C)c2ccccc12 ZINC000096096438 218590430 /nfs/dbraw/zinc/59/04/30/218590430.db2.gz 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/nfs/dbraw/zinc/74/85/55/218748555.db2.gz SXVBZFXVWFOMKX-QGZVFWFLSA-N 0 0 332.375 3.021 50 0 EGAARN O=C([O-])[C@H](CC(=O)Nc1cccc2ccccc21)[NH2+]Cc1ccccc1 ZINC000005647265 210508629 /nfs/dbraw/zinc/50/86/29/210508629.db2.gz FTUAZVZATYKWJD-IBGZPJMESA-N 0 0 348.402 3.411 50 0 EGAARN CC(=O)N[C@H](CSc1cc(C)nc2ccccc21)C(=O)OC(C)C ZINC000005516331 210479977 /nfs/dbraw/zinc/47/99/77/210479977.db2.gz YJYXCWYYYAGCIL-MRXNPFEDSA-N 0 0 346.452 3.092 50 0 EGAARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000005451528 210466783 /nfs/dbraw/zinc/46/67/83/210466783.db2.gz NVGNLBFLONFDHB-UHFFFAOYSA-N 0 0 339.782 3.447 50 0 EGAARN Cc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)C[S@@]2=O)cc1 ZINC000005217479 210417244 /nfs/dbraw/zinc/41/72/44/210417244.db2.gz SHTNTTRSQCTSPD-XMQQHFNTSA-N 0 0 326.421 3.310 50 0 EGAARN COc1ccc2[nH]cc(CCn3c(C)nc4ccccc4c3=O)c2c1 ZINC000005274207 210431254 /nfs/dbraw/zinc/43/12/54/210431254.db2.gz NIMMBZVFNYGMCV-UHFFFAOYSA-N 0 0 333.391 3.438 50 0 biogenic EGAARN 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O=c1c2[nH]c3ccccc3sc=2c(=O)n1-c1ccc(Cl)cc1 ZINC000100420880 275042980 /nfs/dbraw/zinc/04/29/80/275042980.db2.gz XAWOUVQKHFPYDB-UHFFFAOYSA-N 0 0 328.780 3.119 50 0 EGAARN CC(=O)N1CCC[C@H](NC(=O)c2oc3c(cc(C)cc3Cl)c2C)C1 ZINC000077440312 275456323 /nfs/dbraw/zinc/45/63/23/275456323.db2.gz QEJCFZURXHEKEK-ZDUSSCGKSA-N 0 0 348.830 3.444 50 0 EGAARN CCOC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000002770973 276303004 /nfs/dbraw/zinc/30/30/04/276303004.db2.gz DINIIDHRTPFKLV-GXSJLCMTSA-N 0 0 329.278 3.313 50 0 EGAARN CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961460 276392738 /nfs/dbraw/zinc/39/27/38/276392738.db2.gz JNWICUNVUHXEAW-UHFFFAOYSA-N 0 0 346.408 3.139 50 0 EGAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000000427696 276442684 /nfs/dbraw/zinc/44/26/84/276442684.db2.gz YHNWXGXPYWGJKG-CYBMUJFWSA-N 0 0 327.380 3.421 50 0 EGAARN CN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000071788927 277022628 /nfs/dbraw/zinc/02/26/28/277022628.db2.gz 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O=C1C[C@]2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccccc1 ZINC000005400567 280274909 /nfs/dbraw/zinc/27/49/09/280274909.db2.gz TWTBYSUGGBZSRR-GOSISDBHSA-N 0 0 340.766 3.167 50 0 EGAARN Cc1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000000148734 280846708 /nfs/dbraw/zinc/84/67/08/280846708.db2.gz CKNZUEGIXWQSRE-LBPRGKRZSA-N 0 0 325.437 3.335 50 0 EGAARN Cc1ccc2c(c1)c1[nH]c(=O)n(-c3cccc(Cl)c3)c(=O)c1n2C ZINC000071289343 281130175 /nfs/dbraw/zinc/13/01/75/281130175.db2.gz ZERZGMRFRNHTHT-UHFFFAOYSA-N 0 0 339.782 3.133 50 0 EGAARN Cc1cccc(-n2ncc3c4nc(-c5ccc(O)cc5)nn4cnc32)c1 ZINC000005244836 281188831 /nfs/dbraw/zinc/18/88/31/281188831.db2.gz FNCCDSGUAYLUDJ-UHFFFAOYSA-N 0 0 342.362 3.144 50 0 EGAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CCCC[C@@H]32)C(=O)O1 ZINC000004915433 281399018 /nfs/dbraw/zinc/39/90/18/281399018.db2.gz HAVUYPWBKGZTJS-CQSZACIVSA-N 0 0 349.814 3.078 50 0 EGAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)N2C(=O)CCSC2=N1 ZINC000000075269 281656816 /nfs/dbraw/zinc/65/68/16/281656816.db2.gz RCMLYOQXPDBHSY-MRXNPFEDSA-N 0 0 344.436 3.288 50 0 EGAARN Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccc(C(N)=O)c(=O)[nH]1 ZINC000221613202 281799069 /nfs/dbraw/zinc/79/90/69/281799069.db2.gz XUHCQHLWILSWNF-UHFFFAOYSA-N 0 0 345.811 3.226 50 0 EGAARN COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)N1 ZINC000025691720 295043035 /nfs/dbraw/zinc/04/30/35/295043035.db2.gz SRSPZLZVGPJHJH-HZPDHXFCSA-N 0 0 341.407 3.205 50 0 in-vitro EGAARN COc1cccc2c1OCCCN(C(=O)c1ccccc1C(C)=O)C2 ZINC000216011025 295339764 /nfs/dbraw/zinc/33/97/64/295339764.db2.gz ATIKEDUJFCIWMS-UHFFFAOYSA-N 0 0 339.391 3.323 50 0 EGAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1ccccc1O2 ZINC000004852741 297942758 /nfs/dbraw/zinc/94/27/58/297942758.db2.gz HKKUHIXAULDYPW-AUUYWEPGSA-N 0 0 338.363 3.227 50 0 EGAARN Cc1ccccc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O ZINC000003958657 302105871 /nfs/dbraw/zinc/10/58/71/302105871.db2.gz UTLUDPNGWKVXFI-KRWDZBQOSA-N 0 0 336.391 3.254 50 0 EGAARN Cn1ncc2c1NC(=O)CS[C@@H]2c1c(Cl)nc2sccn21 ZINC000049550375 303059189 /nfs/dbraw/zinc/05/91/89/303059189.db2.gz NMUUQALWONOUEB-VIFPVBQESA-N 0 0 339.833 3.207 50 0 EGAARN FC(F)(F)[C@H]1C[C@H](c2ccc3c(c2)OCCO3)Nc2ccnn21 ZINC000002766533 303117872 /nfs/dbraw/zinc/11/78/72/303117872.db2.gz IREFMZFGDRTTCB-ZWNOBZJWSA-N 0 0 325.290 3.315 50 0 EGAARN CSCC[C@@H](NC(=O)NC1CCCCC1)c1nnc2ccccn21 ZINC000054372567 307337720 /nfs/dbraw/zinc/33/77/20/307337720.db2.gz JOMTTXQMQRXCSS-CQSZACIVSA-N 0 0 347.488 3.155 50 0 EGAARN COc1cccc([C@@H]2CCN(C(=O)CCC(F)(F)F)C2)c1OC ZINC000223933876 456061451 /nfs/dbraw/zinc/06/14/51/456061451.db2.gz MFXAPJSMPMSMLG-LLVKDONJSA-N 0 0 331.334 3.362 50 0 EGAARN COC(=O)c1cc(C)nn1Cc1ncc(C(F)(F)F)cc1Cl ZINC000263623037 456178673 /nfs/dbraw/zinc/17/86/73/456178673.db2.gz DBFLXUBBQXTBHC-UHFFFAOYSA-N 0 0 333.697 3.094 50 0 EGAARN COC(=O)Cc1cc(Br)c(F)c(Br)c1F ZINC000263622963 456178900 /nfs/dbraw/zinc/17/89/00/456178900.db2.gz CLPDKTKOFGMRFR-UHFFFAOYSA-N 0 0 343.949 3.205 50 0 EGAARN O=C(NCc1cccs1)NC[C@](O)(c1ccco1)c1cccs1 ZINC000238833391 455259313 /nfs/dbraw/zinc/25/93/13/455259313.db2.gz GKVHZDUVZZTQER-INIZCTEOSA-N 0 0 348.449 3.138 50 0 EGAARN CC(C)CCN1Cn2c3ccccc3nc2N(C[C@H]2CCCO2)C1 ZINC000239235558 455260777 /nfs/dbraw/zinc/26/07/77/455260777.db2.gz WETKMYGQQYLXMA-MRXNPFEDSA-N 0 0 328.460 3.298 50 0 EGAARN Cc1nc2sccc2c(N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)n1 ZINC000244796020 455277113 /nfs/dbraw/zinc/27/71/13/455277113.db2.gz RRLMGNBPKRQFKZ-IVMMDQJWSA-N 0 0 340.452 3.189 50 0 EGAARN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000000068649 452498353 /nfs/dbraw/zinc/49/83/53/452498353.db2.gz POHBBBKXEXVGDA-UXBLZVDNSA-N 0 0 343.379 3.373 50 0 biogenic EGAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1ccccn1)c1ccccc1 ZINC000000083393 452501739 /nfs/dbraw/zinc/50/17/39/452501739.db2.gz OBMLEUYXUNERDP-CVEARBPZSA-N 0 0 348.493 3.463 50 0 EGAARN O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccccc1C(F)(F)F ZINC000000084324 452502794 /nfs/dbraw/zinc/50/27/94/452502794.db2.gz UFRCUEDAJYXRRL-AWEZNQCLSA-N 0 0 349.312 3.467 50 0 EGAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CCC3)c1 ZINC000000106337 452507738 /nfs/dbraw/zinc/50/77/38/452507738.db2.gz LKABMKRHKFCGOE-UHFFFAOYSA-N 0 0 328.437 3.499 50 0 EGAARN COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)c(OC)c1OC ZINC000000103566 452507818 /nfs/dbraw/zinc/50/78/18/452507818.db2.gz OETAJKYXQCFOMK-LUAWRHEFSA-N 0 0 345.376 3.118 50 0 EGAARN CCCn1nnnc1NCc1ccccc1OCc1cccs1 ZINC000000110240 452510477 /nfs/dbraw/zinc/51/04/77/452510477.db2.gz NPENGRCLMDEOTC-UHFFFAOYSA-N 0 0 329.429 3.336 50 0 EGAARN CC(C)OC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000000117757 452512352 /nfs/dbraw/zinc/51/23/52/452512352.db2.gz IXNWUWGKSAECEP-QGZVFWFLSA-N 0 0 341.363 3.030 50 0 EGAARN COc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2C)C1=O ZINC000000121786 452513879 /nfs/dbraw/zinc/51/38/79/452513879.db2.gz NCJXXQGJUNZNIP-UHFFFAOYSA-N 0 0 342.782 3.439 50 0 EGAARN CCCc1sc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000000139901 452517264 /nfs/dbraw/zinc/51/72/64/452517264.db2.gz KOPRMVWYVCQZAF-CQSZACIVSA-N 0 0 329.469 3.464 50 0 EGAARN COc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccccc32)cc1 ZINC000000140480 452517975 /nfs/dbraw/zinc/51/79/75/452517975.db2.gz KWYFXNWJEHLKDF-UHFFFAOYSA-N 0 0 344.436 3.006 50 0 biogenic,in-vitro EGAARN COc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000136510 452518161 /nfs/dbraw/zinc/51/81/61/452518161.db2.gz QIWFKHQOYPHTIO-UHFFFAOYSA-N 0 0 339.800 3.090 50 0 EGAARN COc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000000148382 452520884 /nfs/dbraw/zinc/52/08/84/452520884.db2.gz BATASEYWKCTDCV-KPKJPENVSA-N 0 0 325.364 3.199 50 0 EGAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000000147290 452521137 /nfs/dbraw/zinc/52/11/37/452521137.db2.gz LNKOYIBMVBKYCX-XBXARRHUSA-N 0 0 341.363 3.127 50 0 EGAARN CCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1NC(=O)CC ZINC000000149456 452522593 /nfs/dbraw/zinc/52/25/93/452522593.db2.gz XJCDOFSQDVEUEY-UHFFFAOYSA-N 0 0 327.402 3.147 50 0 EGAARN C[C@@H]1CCc2c(sc3nnn(Cc4ccccc4F)c(=O)c23)C1 ZINC000000148768 452523045 /nfs/dbraw/zinc/52/30/45/452523045.db2.gz TWTLXGYPLHHKAS-SNVBAGLBSA-N 0 0 329.400 3.165 50 0 EGAARN O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(Cl)cc1 ZINC000000159069 452525525 /nfs/dbraw/zinc/52/55/25/452525525.db2.gz YKFMTQNLMVSAKD-INIZCTEOSA-N 0 0 330.796 3.225 50 0 EGAARN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000000177819 452528620 /nfs/dbraw/zinc/52/86/20/452528620.db2.gz JVTHSRFRYONWBC-UHFFFAOYSA-N 0 0 341.816 3.466 50 0 EGAARN COc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000000185016 452531848 /nfs/dbraw/zinc/53/18/48/452531848.db2.gz URSOPJCCNUHMBT-UHFFFAOYSA-N 0 0 339.435 3.102 50 0 biogenic EGAARN c1nn(Cc2ccccc2)c2ncn3c(nnc3-c3ccccc3)c12 ZINC000000206052 452534670 /nfs/dbraw/zinc/53/46/70/452534670.db2.gz IUZFERLVWSNFTD-UHFFFAOYSA-N 0 0 326.363 3.189 50 0 EGAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2)NC(=O)N1 ZINC000000203935 452534798 /nfs/dbraw/zinc/53/47/98/452534798.db2.gz AJVDIWGTTGZDPF-QGZVFWFLSA-N 0 0 340.354 3.197 50 0 EGAARN O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000000206308 452535479 /nfs/dbraw/zinc/53/54/79/452535479.db2.gz FQHLFIQBBAZJEV-UHFFFAOYSA-N 0 0 347.296 3.054 50 0 EGAARN CCOc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1 ZINC000000240031 452544040 /nfs/dbraw/zinc/54/40/40/452544040.db2.gz OOPQMGRDXPSLJQ-UHFFFAOYSA-N 0 0 326.440 3.416 50 0 EGAARN CCCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 ZINC000000243861 452545614 /nfs/dbraw/zinc/54/56/14/452545614.db2.gz UZUHXOZGUNACKA-UHFFFAOYSA-N 0 0 333.442 3.098 50 0 EGAARN CC[C@](C)(NC(=O)Cc1c[nH]c2ccccc12)C(=O)NC1CCCC1 ZINC000000246438 452546158 /nfs/dbraw/zinc/54/61/58/452546158.db2.gz VDQBJKLRZDIAEN-FQEVSTJZSA-N 0 0 341.455 3.054 50 0 EGAARN CSc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1 ZINC000000264473 452549686 /nfs/dbraw/zinc/54/96/86/452549686.db2.gz NFBFSIJORBVWFH-HNNXBMFYSA-N 0 0 341.440 3.053 50 0 EGAARN COc1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1Cl ZINC000000280125 452553041 /nfs/dbraw/zinc/55/30/41/452553041.db2.gz UFZBGFPWAHWHBX-UHFFFAOYSA-N 0 0 330.775 3.349 50 0 EGAARN COc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1OC ZINC000000301759 452557586 /nfs/dbraw/zinc/55/75/86/452557586.db2.gz QPHBWJIVQXJWBM-UVTDQMKNSA-N 0 0 327.311 3.187 50 0 EGAARN COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 ZINC000000331146 452565610 /nfs/dbraw/zinc/56/56/10/452565610.db2.gz OIDZZYTZABESDP-UHFFFAOYSA-N 0 0 330.409 3.139 50 0 EGAARN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000358288 452570505 /nfs/dbraw/zinc/57/05/05/452570505.db2.gz LIBMEMPRGPHTKD-UHFFFAOYSA-N 0 0 332.425 3.371 50 0 EGAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(C(C)(C)C)cc2)N1 ZINC000000356123 452570553 /nfs/dbraw/zinc/57/05/53/452570553.db2.gz MDBHJIRSBFIQIY-HNNXBMFYSA-N 0 0 328.334 3.457 50 0 EGAARN Cc1nnc(SCC(=O)NCc2cccs2)n1-c1ccccc1 ZINC000000356581 452570581 /nfs/dbraw/zinc/57/05/81/452570581.db2.gz ZWYJFGIFWNSGMR-UHFFFAOYSA-N 0 0 344.465 3.046 50 0 EGAARN COc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 ZINC000000360414 452572120 /nfs/dbraw/zinc/57/21/20/452572120.db2.gz XGPCLDUNDMETEQ-UHFFFAOYSA-N 0 0 328.759 3.182 50 0 EGAARN COc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1 ZINC000000375345 452574840 /nfs/dbraw/zinc/57/48/40/452574840.db2.gz NLNHXGVALRUDCZ-GFCCVEGCSA-N 0 0 335.400 3.364 50 0 EGAARN Cc1cc(C)nc(SCC(=O)Nc2cc(F)c(F)cc2F)n1 ZINC000000388923 452578358 /nfs/dbraw/zinc/57/83/58/452578358.db2.gz VZNWHRAVGHSVAB-UHFFFAOYSA-N 0 0 327.331 3.242 50 0 EGAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cccn2c(=O)c3sccc3nc12 ZINC000000422907 452587835 /nfs/dbraw/zinc/58/78/35/452587835.db2.gz USXIZWOAUWLLKU-DGCLKSJQSA-N 0 0 341.436 3.218 50 0 EGAARN COc1ccc(-c2noc(CCC(=O)Nc3ccccc3F)n2)cc1 ZINC000000428490 452589371 /nfs/dbraw/zinc/58/93/71/452589371.db2.gz FUHVKJHGGPFBEO-UHFFFAOYSA-N 0 0 341.342 3.456 50 0 EGAARN CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000000435503 452591145 /nfs/dbraw/zinc/59/11/45/452591145.db2.gz RWJMMFFGDZVNAF-UHFFFAOYSA-N 0 0 340.398 3.299 50 0 EGAARN COc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000439627 452593061 /nfs/dbraw/zinc/59/30/61/452593061.db2.gz LRRIMYCOOJWQPL-UHFFFAOYSA-N 0 0 339.800 3.090 50 0 EGAARN CCOc1cccc(C(=O)NC(=S)Nc2ccccc2OC)c1 ZINC000000454084 452596563 /nfs/dbraw/zinc/59/65/63/452596563.db2.gz SDQMHORGZRNWAP-UHFFFAOYSA-N 0 0 330.409 3.221 50 0 EGAARN CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 ZINC000000455066 452596867 /nfs/dbraw/zinc/59/68/67/452596867.db2.gz QXGOCYMVBVPZMO-UHFFFAOYSA-N 0 0 332.400 3.489 50 0 EGAARN CC(C)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000000454624 452597405 /nfs/dbraw/zinc/59/74/05/452597405.db2.gz QWGHCPMQUNZATQ-UHFFFAOYSA-N 0 0 333.453 3.242 50 0 EGAARN CC1(C)[C@@]2(C(=O)Nc3ccc4c(c3)OCCO4)CC[C@]1(C)C(=O)C2 ZINC000000460169 452599531 /nfs/dbraw/zinc/59/95/31/452599531.db2.gz WDVILNUXXDLABJ-MOPGFXCFSA-N 0 0 329.396 3.182 50 0 biogenic EGAARN COc1ccccc1N1CCN(C(=S)Nc2cccc(F)c2)CC1 ZINC000000473001 452602824 /nfs/dbraw/zinc/60/28/24/452602824.db2.gz KZUWWRVMQWMWGN-UHFFFAOYSA-N 0 0 345.443 3.353 50 0 EGAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000000527535 452614644 /nfs/dbraw/zinc/61/46/44/452614644.db2.gz FWSCBLCZMLOYER-HOYKHHGWSA-N 0 0 348.383 3.415 50 0 EGAARN COc1ccc([C@H]2C[C@H](c3cccc(OC)c3)Nc3ncnn32)cc1 ZINC000000533248 452616663 /nfs/dbraw/zinc/61/66/63/452616663.db2.gz RABLBPRTQNQANY-QZTJIDSGSA-N 0 0 336.395 3.442 50 0 EGAARN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(F)cc1 ZINC000000558033 452622670 /nfs/dbraw/zinc/62/26/70/452622670.db2.gz JCOQIRDSSYVZER-UHFFFAOYSA-N 0 0 339.355 3.244 50 0 EGAARN CCOc1ccccc1N1CCN(C(=S)NC2CCCCC2)CC1 ZINC000000611258 452629616 /nfs/dbraw/zinc/62/96/16/452629616.db2.gz CDQSEWZBBWUKFC-UHFFFAOYSA-N 0 0 347.528 3.415 50 0 EGAARN CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000000613797 452631180 /nfs/dbraw/zinc/63/11/80/452631180.db2.gz OOHSESVIUNZWPC-UHFFFAOYSA-N 0 0 336.391 3.011 50 0 EGAARN S=C(NCc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000612575 452631692 /nfs/dbraw/zinc/63/16/92/452631692.db2.gz NJZWRVOHAWZMCW-UHFFFAOYSA-N 0 0 335.860 3.130 50 0 EGAARN CCn1nc(C)c(NC(=S)Nc2ccc(OC)c(OC)c2)c1C ZINC000000611560 452632032 /nfs/dbraw/zinc/63/20/32/452632032.db2.gz ZSXUKZNQJFLUJJ-UHFFFAOYSA-N 0 0 334.445 3.346 50 0 EGAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 ZINC000000806730 452635738 /nfs/dbraw/zinc/63/57/38/452635738.db2.gz SRROQPJTVBWRLV-LBPRGKRZSA-N 0 0 344.798 3.340 50 0 EGAARN CC(C)(C)c1ccc(OCNC(=S)NC(=O)c2cccnc2)cc1 ZINC000000858943 452636953 /nfs/dbraw/zinc/63/69/53/452636953.db2.gz VTLGWCGRRFXXEV-UHFFFAOYSA-N 0 0 343.452 3.020 50 0 EGAARN O=C(Oc1cccc(O)c1)c1cccc(I)c1 ZINC000001006453 452641056 /nfs/dbraw/zinc/64/10/56/452641056.db2.gz KXQSTGQRJLONNE-UHFFFAOYSA-N 0 0 340.116 3.216 50 0 EGAARN O=C(COc1ccccc1)Nc1nnc(Cc2ccccc2)s1 ZINC000001270835 452651111 /nfs/dbraw/zinc/65/11/11/452651111.db2.gz JRXBOOMXNLMZSK-UHFFFAOYSA-N 0 0 325.393 3.146 50 0 EGAARN COc1ccccc1CNC(=O)c1cc(C(=O)c2ccccc2C)c[nH]1 ZINC000001403985 452661329 /nfs/dbraw/zinc/66/13/29/452661329.db2.gz YDRWIFAFQIMEOP-UHFFFAOYSA-N 0 0 348.402 3.493 50 0 EGAARN CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C(F)(F)F ZINC000001403335 452662204 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454033609 /nfs/dbraw/zinc/03/36/09/454033609.db2.gz MUWKEEIARWTAHM-SFHVURJKSA-N 0 0 330.815 3.382 50 0 EGAARN CC1(C)C[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)CCO1 ZINC000085875063 454040734 /nfs/dbraw/zinc/04/07/34/454040734.db2.gz FNKJNIKJLDXGDA-OAHLLOKOSA-N 0 0 328.412 3.348 50 0 biogenic EGAARN CSc1ccc(C(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000043210993 454048056 /nfs/dbraw/zinc/04/80/56/454048056.db2.gz SAIIFHXPZZYYOC-UHFFFAOYSA-N 0 0 327.449 3.472 50 0 EGAARN O=C(NC[C@@H]1OCCc2ccccc21)c1cc(-c2ccccc2)on1 ZINC000077318999 454090136 /nfs/dbraw/zinc/09/01/36/454090136.db2.gz PGFRQIQCXZPCRT-IBGZPJMESA-N 0 0 334.375 3.385 50 0 EGAARN O=C(NC[C@H]1OCCc2ccccc21)c1cc(-c2ccccc2)on1 ZINC000077318998 454090167 /nfs/dbraw/zinc/09/01/67/454090167.db2.gz PGFRQIQCXZPCRT-LJQANCHMSA-N 0 0 334.375 3.385 50 0 EGAARN O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1Cc1cccs1 ZINC000044213990 454092285 /nfs/dbraw/zinc/09/22/85/454092285.db2.gz ANZPRMNLTYYOPN-LBPRGKRZSA-N 0 0 343.383 3.453 50 0 EGAARN 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COc1ccc2c(ccn2CC(=O)Nc2n[nH]c3cccc(F)c32)c1 ZINC000095477304 454220265 /nfs/dbraw/zinc/22/02/65/454220265.db2.gz LUUWXFDZHDMYFW-UHFFFAOYSA-N 0 0 338.342 3.304 50 0 EGAARN CCCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000095495667 454220724 /nfs/dbraw/zinc/22/07/24/454220724.db2.gz MSIHZKDZXGXUDQ-QGZVFWFLSA-N 0 0 326.396 3.180 50 0 EGAARN O=C(CCCCCNc1ncccn1)Nc1nc2c(s1)CCC2 ZINC000095479225 454220857 /nfs/dbraw/zinc/22/08/57/454220857.db2.gz YXQDLOVOXRIJIS-UHFFFAOYSA-N 0 0 331.445 3.033 50 0 EGAARN COC(=O)C[C@H]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000095512157 454225366 /nfs/dbraw/zinc/22/53/66/454225366.db2.gz ACUBMQPMPLFLAF-SNVBAGLBSA-N 0 0 330.306 3.122 50 0 EGAARN COC[C@@H]1CCCN1C(=O)Nc1ccc(Cn2nc(C)cc2C)cc1 ZINC000095517500 454225948 /nfs/dbraw/zinc/22/59/48/454225948.db2.gz DWFWNIFCAPYZAA-SFHVURJKSA-N 0 0 342.443 3.191 50 0 EGAARN Cc1nn(C)c2nc(N[C@H](c3cccnc3)C(F)(F)F)sc12 ZINC000095515380 454226520 /nfs/dbraw/zinc/22/65/20/454226520.db2.gz BFXIVHBNSYTIOK-SNVBAGLBSA-N 0 0 327.335 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/nfs/dbraw/zinc/53/67/29/452536729.db2.gz ZJNGQWWMOFWCIP-CQSZACIVSA-N 0 0 326.371 3.380 50 0 EGAARN C[C@]1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1cccnc1 ZINC000000218817 452539843 /nfs/dbraw/zinc/53/98/43/452539843.db2.gz XBKWMRACSQCJCG-HXUWFJFHSA-N 0 0 343.471 3.192 50 0 EGAARN O=C(c1sc(=S)n2c1[nH]c(=O)c1ccccc12)N1CCCC1 ZINC000000256745 452547974 /nfs/dbraw/zinc/54/79/74/452547974.db2.gz HAEAQOKUMUEULR-UHFFFAOYSA-N 0 0 331.422 3.220 50 0 EGAARN c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000000274379 452552618 /nfs/dbraw/zinc/55/26/18/452552618.db2.gz GSXOUQFSYTZEJF-UHFFFAOYSA-N 0 0 348.410 3.195 50 0 EGAARN CCOc1ccc(N2C(=O)C[C@@H](Cc3ccccc3OC)C2=O)cc1 ZINC000000290204 452554733 /nfs/dbraw/zinc/55/47/33/452554733.db2.gz DGJQGVSWZFAHHV-OAHLLOKOSA-N 0 0 339.391 3.216 50 0 EGAARN Cc1ccc(NC(=S)N2CCN(C(=O)c3ccco3)CC2)c(C)c1 ZINC000000306185 452558165 /nfs/dbraw/zinc/55/81/65/452558165.db2.gz JUTWVCGEPGUGAB-UHFFFAOYSA-N 0 0 343.452 3.051 50 0 EGAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)n1nc(C)cc1C ZINC000000308573 452558843 /nfs/dbraw/zinc/55/88/43/452558843.db2.gz BRYHAXHMHHUIFG-UHFFFAOYSA-N 0 0 335.212 3.052 50 0 EGAARN CC(C)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000000309814 452560489 /nfs/dbraw/zinc/56/04/89/452560489.db2.gz VCYCAZMEJBWOSR-UHFFFAOYSA-N 0 0 333.409 3.017 50 0 EGAARN CC[C@H]1CCCCN1C(=O)c1ccc(I)o1 ZINC000000316201 452562499 /nfs/dbraw/zinc/56/24/99/452562499.db2.gz YBDYUISYRKYTDE-VIFPVBQESA-N 0 0 333.169 3.289 50 0 EGAARN O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccccc1F ZINC000000313305 452563118 /nfs/dbraw/zinc/56/31/18/452563118.db2.gz VSPAZXHEQPYYBR-UHFFFAOYSA-N 0 0 345.395 3.053 50 0 EGAARN COc1ccc2c(c1)CCN(C=O)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000000332318 452565519 /nfs/dbraw/zinc/56/55/19/452565519.db2.gz GDYLIEVKBVCBJC-SFHVURJKSA-N 0 0 341.407 3.011 50 0 EGAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1 ZINC000000346069 452568444 /nfs/dbraw/zinc/56/84/44/452568444.db2.gz UQBYHYLSJXPFLH-KRWDZBQOSA-N 0 0 332.444 3.386 50 0 EGAARN CCOc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 ZINC000000361162 452571777 /nfs/dbraw/zinc/57/17/77/452571777.db2.gz SEISLNLJVKQXMW-UHFFFAOYSA-N 0 0 330.409 3.221 50 0 EGAARN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c1 ZINC000000379639 452573403 /nfs/dbraw/zinc/57/34/03/452573403.db2.gz LNFJGUZVFKVDDP-UHFFFAOYSA-N 0 0 346.452 3.017 50 0 EGAARN CCC[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 ZINC000000375577 452574781 /nfs/dbraw/zinc/57/47/81/452574781.db2.gz DGCQTXNJKHIOBU-NSHDSACASA-N 0 0 343.452 3.399 50 0 EGAARN COC(=O)c1cccc2c1N(C)c1c(cccc1C(=O)OC)CC2 ZINC000000392810 452579549 /nfs/dbraw/zinc/57/95/49/452579549.db2.gz JBPZKMXNIRDZDB-UHFFFAOYSA-N 0 0 325.364 3.126 50 0 EGAARN COc1ccccc1C(=O)N1CCN=C1SCc1ccccc1 ZINC000000429399 452588674 /nfs/dbraw/zinc/58/86/74/452588674.db2.gz QOXHVQZSIDFPDN-UHFFFAOYSA-N 0 0 326.421 3.440 50 0 EGAARN FC(F)(F)c1cc(-c2ccco2)nc(-n2nnc3ccccc32)n1 ZINC000000426686 452588781 /nfs/dbraw/zinc/58/87/81/452588781.db2.gz WKSSJXVSIXPFPE-UHFFFAOYSA-N 0 0 331.257 3.489 50 0 EGAARN Cc1cc2cc(CCNC(=O)CCc3ccccc3)c(=O)[nH]c2cc1C ZINC000000427751 452588964 /nfs/dbraw/zinc/58/89/64/452588964.db2.gz KHZCTXQVDPGKIV-UHFFFAOYSA-N 0 0 348.446 3.436 50 0 EGAARN COc1ccccc1NC(=O)c1sc(N)c(C(=O)OC(C)C)c1C ZINC000000442748 452593580 /nfs/dbraw/zinc/59/35/80/452593580.db2.gz QTOVNBVUFJLMCE-UHFFFAOYSA-N 0 0 348.424 3.465 50 0 EGAARN Cc1nnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12 ZINC000000447971 452594124 /nfs/dbraw/zinc/59/41/24/452594124.db2.gz WBBONTQMDJNYKA-UHFFFAOYSA-N 0 0 348.406 3.154 50 0 EGAARN CCc1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000000456009 452596380 /nfs/dbraw/zinc/59/63/80/452596380.db2.gz PMYMOEHVIMJCAT-UHFFFAOYSA-N 0 0 344.436 3.393 50 0 EGAARN Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccc(F)cc1 ZINC000000466089 452600606 /nfs/dbraw/zinc/60/06/06/452600606.db2.gz UTERLRMUQHDNOI-KRWDZBQOSA-N 0 0 333.746 3.200 50 0 EGAARN O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCOCC1 ZINC000000466496 452600770 /nfs/dbraw/zinc/60/07/70/452600770.db2.gz CNUURRDJCIWKNH-UHFFFAOYSA-N 0 0 337.828 3.028 50 0 EGAARN COc1ccc(CC2=C(C)C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000472617 452602706 /nfs/dbraw/zinc/60/27/06/452602706.db2.gz JEVNBYVNJHRNFI-UHFFFAOYSA-N 0 0 337.375 3.136 50 0 EGAARN CCOC(=O)Cc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000471434 452602815 /nfs/dbraw/zinc/60/28/15/452602815.db2.gz HGFDGABSDWTURA-UHFFFAOYSA-N 0 0 343.379 3.062 50 0 EGAARN COc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000000475081 452604591 /nfs/dbraw/zinc/60/45/91/452604591.db2.gz JQMSMXUBXLKLMY-UHFFFAOYSA-N 0 0 346.235 3.481 50 0 EGAARN CC1=NN(C(=S)Nc2ccc(F)cc2)[C@@]2(O)C[C@@H]3[C@H]([C@H]12)C3(C)C ZINC000000486326 452606141 /nfs/dbraw/zinc/60/61/41/452606141.db2.gz NBEDDHCHYMEBLM-UMPJEAMMSA-N 0 0 333.432 3.195 50 0 biogenic EGAARN CN(C[C@H](O)c1ccccc1)C(=O)c1ccccc1Br ZINC000000486320 452606642 /nfs/dbraw/zinc/60/66/42/452606642.db2.gz XKJPPIHLKZRLLN-HNNXBMFYSA-N 0 0 334.213 3.255 50 0 biogenic EGAARN CC(=O)Oc1ccc2c(c1)occ(-c1nc3ccccc3n1C)c2=O ZINC000000492399 452608271 /nfs/dbraw/zinc/60/82/71/452608271.db2.gz CYXFVZBLSAVZQN-UHFFFAOYSA-N 0 0 334.331 3.272 50 0 EGAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccco1 ZINC000000516630 452612927 /nfs/dbraw/zinc/61/29/27/452612927.db2.gz JQFLMTAOPUKWOX-UHFFFAOYSA-N 0 0 342.376 3.333 50 0 EGAARN c1nn(-c2ccccc2)c2ncn3c(CCc4ccccc4)nnc3c12 ZINC000000539338 452617756 /nfs/dbraw/zinc/61/77/56/452617756.db2.gz JQNGKAPTSUTCDC-UHFFFAOYSA-N 0 0 340.390 3.248 50 0 EGAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000000568450 452624460 /nfs/dbraw/zinc/62/44/60/452624460.db2.gz IDOLGHUKGNNYJC-UHFFFAOYSA-N 0 0 326.352 3.262 50 0 EGAARN CCOC(=O)c1c(N)nn(C(=O)Cc2ccccc2)c1-c1ccccc1 ZINC000000612056 452631457 /nfs/dbraw/zinc/63/14/57/452631457.db2.gz YYIVVNXIMYDBEF-UHFFFAOYSA-N 0 0 349.390 3.192 50 0 EGAARN COc1ccc(C2(CNC(=O)c3ccc(C)cc3)CCOCC2)cc1 ZINC000000619279 452633719 /nfs/dbraw/zinc/63/37/19/452633719.db2.gz WIIXROYXNGPKMU-UHFFFAOYSA-N 0 0 339.435 3.482 50 0 EGAARN CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000000816300 452636852 /nfs/dbraw/zinc/63/68/52/452636852.db2.gz AXKFQKYVRAWKTH-UHFFFAOYSA-N 0 0 329.352 3.304 50 0 EGAARN c1csc(-c2nn3c(nnc3[C@H]3COc4ccccc4O3)s2)c1 ZINC000001016514 452641576 /nfs/dbraw/zinc/64/15/76/452641576.db2.gz VAAPDGVOQIGZBE-LLVKDONJSA-N 0 0 342.405 3.427 50 0 aggregator EGAARN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCO2)cc1 ZINC000001059758 452643356 /nfs/dbraw/zinc/64/33/56/452643356.db2.gz OGYLVZMARUPAHP-QGZVFWFLSA-N 0 0 340.379 3.065 50 0 EGAARN O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)o1)c1ccccc1 ZINC000001064269 452644191 /nfs/dbraw/zinc/64/41/91/452644191.db2.gz AXXSVDYQSVXNQJ-UHFFFAOYSA-N 0 0 331.327 3.307 50 0 EGAARN O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000001066296 452644230 /nfs/dbraw/zinc/64/42/30/452644230.db2.gz USLFMDKUVQKSAP-UHFFFAOYSA-N 0 0 340.276 3.213 50 0 EGAARN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC)NC(=O)N1 ZINC000001126849 452646969 /nfs/dbraw/zinc/64/69/69/452646969.db2.gz BVRSOXOIGGNGPQ-MRXNPFEDSA-N 0 0 332.400 3.057 50 0 EGAARN CN1C(=O)N(c2ccccc2)[C@H](NC(=O)Nc2ccccc2)C1(C)C ZINC000001298254 452651063 /nfs/dbraw/zinc/65/10/63/452651063.db2.gz DXXFLBAPALQGNQ-INIZCTEOSA-N 0 0 338.411 3.485 50 0 EGAARN COCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 ZINC000001263540 452651086 /nfs/dbraw/zinc/65/10/86/452651086.db2.gz QCPSKXMTGMEVOO-UHFFFAOYSA-N 0 0 326.400 3.134 50 0 EGAARN Cc1cccc(-n2c(SCC(N)=O)nnc2-c2cccs2)c1C ZINC000001328534 452653807 /nfs/dbraw/zinc/65/38/07/452653807.db2.gz RXNXAWYHVVOQHX-UHFFFAOYSA-N 0 0 344.465 3.190 50 0 EGAARN Cc1ccc([S@@](=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000001382514 452657220 /nfs/dbraw/zinc/65/72/20/452657220.db2.gz CAWUIBDEFXOHDD-JOCHJYFZSA-N 0 0 335.856 3.115 50 0 EGAARN O=C1NN=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000001397722 452659561 /nfs/dbraw/zinc/65/95/61/452659561.db2.gz SJRIIWKXAZJHLM-AWEZNQCLSA-N 0 0 329.197 3.457 50 0 EGAARN Cc1ccc(NC(=O)CCN2C(=O)OC3(CCCCC3)[C@@]2(C)O)cc1 ZINC000001421337 452664351 /nfs/dbraw/zinc/66/43/51/452664351.db2.gz HEXKXTJFLPCCOG-GOSISDBHSA-N 0 0 346.427 3.187 50 0 EGAARN CC(C)Oc1c(=O)c(=O)c1C1(c2ccccc2)SCCCS1 ZINC000001860381 452679387 /nfs/dbraw/zinc/67/93/87/452679387.db2.gz LNEKMUXILAEQNF-UHFFFAOYSA-N 0 0 334.462 3.141 50 0 EGAARN CCc1ccc(NC(=O)CSCC(=O)NCc2ccccc2)cc1 ZINC000001892708 452681761 /nfs/dbraw/zinc/68/17/61/452681761.db2.gz BMARSTJBFJSKJV-UHFFFAOYSA-N 0 0 342.464 3.237 50 0 EGAARN COc1ccccc1OCCCC(=O)Nc1nnc(C(C)C)s1 ZINC000001893036 452681947 /nfs/dbraw/zinc/68/19/47/452681947.db2.gz YYBHNGWZZOODEI-UHFFFAOYSA-N 0 0 335.429 3.468 50 0 EGAARN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=S ZINC000002146247 452688725 /nfs/dbraw/zinc/68/87/25/452688725.db2.gz PIHVTNWTSQZBGT-XHDPSFHLSA-N 0 0 327.453 3.383 50 0 biogenic EGAARN CC(=O)Nc1ccc(OCCOc2ccc(NC(C)=O)cc2)cc1 ZINC000002165880 452688923 /nfs/dbraw/zinc/68/89/23/452688923.db2.gz WGBLKJBDSYRAKK-UHFFFAOYSA-N 0 0 328.368 3.061 50 0 EGAARN O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1cccnc1 ZINC000002237281 452690898 /nfs/dbraw/zinc/69/08/98/452690898.db2.gz MDARALXKYYHTPA-UHFFFAOYSA-N 0 0 342.786 3.034 50 0 EGAARN CC(C)C(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12 ZINC000002331458 452692681 /nfs/dbraw/zinc/69/26/81/452692681.db2.gz CDSVFATWQAFOAM-UHFFFAOYSA-N 0 0 345.406 3.217 50 0 EGAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002463207 452698795 /nfs/dbraw/zinc/69/87/95/452698795.db2.gz JMCOAHFKKCUQHC-IUODEOHRSA-N 0 0 344.436 3.287 50 0 EGAARN CCCOC(=O)c1ccc(C(=O)OCCC)c(C(=O)OCCC)c1 ZINC000002556939 452704399 /nfs/dbraw/zinc/70/43/99/452704399.db2.gz QEUYMNVHNSOBRS-UHFFFAOYSA-N 0 0 336.384 3.387 50 0 EGAARN COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1 ZINC000002585767 452707067 /nfs/dbraw/zinc/70/70/67/452707067.db2.gz DDGJUTBQQURRGE-UHFFFAOYSA-N 0 0 342.347 3.494 50 0 biogenic,in-vitro EGAARN O=Cc1c(=O)n2ccccc2nc1Sc1nc2ccccc2s1 ZINC000002648376 452712044 /nfs/dbraw/zinc/71/20/44/452712044.db2.gz AIOKOMMZSZESMW-UHFFFAOYSA-N 0 0 339.401 3.268 50 0 EGAARN COc1ccccc1-n1nnc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000002699058 452715054 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/nfs/dbraw/zinc/24/00/31/210240031.db2.gz VSHMNKZEFJEIDK-UHFFFAOYSA-N 0 0 344.509 3.169 50 0 EGAARN Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2ccccc2n1 ZINC000004625323 210233544 /nfs/dbraw/zinc/23/35/44/210233544.db2.gz NUDJWMQGUXFCHV-UHFFFAOYSA-N 0 0 330.391 3.392 50 0 EGAARN Cn1cc(-c2nn3c(nnc3-c3cc(F)ccc3Cl)s2)cn1 ZINC000049544168 214016182 /nfs/dbraw/zinc/01/61/82/214016182.db2.gz NGQLBSARKVLVQQ-UHFFFAOYSA-N 0 0 334.767 3.046 50 0 EGAARN CCOC(=O)c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000004576160 210225051 /nfs/dbraw/zinc/22/50/51/210225051.db2.gz MECMVAVWJYCXHE-UHFFFAOYSA-N 0 0 326.352 3.074 50 0 biogenic,in-vitro EGAARN Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000065478852 282268354 /nfs/dbraw/zinc/26/83/54/282268354.db2.gz RVOCTIUDYHEVJI-OAHLLOKOSA-N 0 0 334.851 3.061 50 0 EGAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCn1ccnc1 ZINC000004540803 210217049 /nfs/dbraw/zinc/21/70/49/210217049.db2.gz TXJUGEQXMMVYCP-NSHDSACASA-N 0 0 342.226 3.164 50 0 EGAARN COc1ccccc1/C=C/c1nn2c(nnc2-c2cccnc2)s1 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O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccs1 ZINC000049406688 214005576 /nfs/dbraw/zinc/00/55/76/214005576.db2.gz YUKJJTKCJLXTKX-HNNXBMFYSA-N 0 0 349.431 3.082 50 0 EGAARN Cc1c(Cl)ccc(S(=O)(=O)NCc2ccncc2)c1Cl ZINC000004414310 210189827 /nfs/dbraw/zinc/18/98/27/210189827.db2.gz YIJPAYOASFDVMX-UHFFFAOYSA-N 0 0 331.224 3.175 50 0 EGAARN CC(=O)C(Sc1cc(C)nc2c(-c3ccccc3)cnn21)=C(C)O ZINC000101180718 219118490 /nfs/dbraw/zinc/11/84/90/219118490.db2.gz QNXNCJAKLZQAQL-UHFFFAOYSA-N 0 0 339.420 3.343 50 0 EGAARN CC(=O)Nc1cccc(OCCCNC(=O)c2ccc(Cl)cc2)c1 ZINC000004344427 210175939 /nfs/dbraw/zinc/17/59/39/210175939.db2.gz RTRBNHCKLYEWMH-UHFFFAOYSA-N 0 0 346.814 3.497 50 0 EGAARN COC(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 ZINC000004275316 210157964 /nfs/dbraw/zinc/15/79/64/210157964.db2.gz ULGYJDIEVUTXNG-UHFFFAOYSA-N 0 0 342.376 3.344 50 0 EGAARN COc1ccc(NC(=O)N(C)Cc2csc(C)n2)cc1NC(C)=O ZINC000065360486 214874084 /nfs/dbraw/zinc/87/40/84/214874084.db2.gz QQOXFXKQWSDKAS-UHFFFAOYSA-N 0 0 348.428 3.082 50 0 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CCC1=Nc2ncnn2[C@@H](c2ccc(C(C)C)cc2)C1C(=O)OC ZINC000008843531 282534806 /nfs/dbraw/zinc/53/48/06/282534806.db2.gz PYWGHXMSYMVEBG-INIZCTEOSA-N 0 0 326.400 3.254 50 0 EGAARN O=C(COC(=O)c1ccc(F)cc1F)Nc1ccccc1Cl ZINC000003435203 210038304 /nfs/dbraw/zinc/03/83/04/210038304.db2.gz PVMCWIVGVQGCRW-UHFFFAOYSA-N 0 0 325.698 3.414 50 0 EGAARN O=C(NCc1ccccc1Cl)c1csc(-c2cnccn2)n1 ZINC000044123090 213609018 /nfs/dbraw/zinc/60/90/18/213609018.db2.gz BCWNWBKZRCYNKA-UHFFFAOYSA-N 0 0 330.800 3.184 50 0 EGAARN CCc1ccc(CNC(=O)COC(=O)c2ccc(CC)cc2)cc1 ZINC000067197872 215122424 /nfs/dbraw/zinc/12/24/24/215122424.db2.gz LAFNJRKAJFZXQY-UHFFFAOYSA-N 0 0 325.408 3.285 50 0 EGAARN COc1cccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000003307260 210002770 /nfs/dbraw/zinc/00/27/70/210002770.db2.gz LGMVVPGMUXAPSG-UHFFFAOYSA-N 0 0 342.376 3.328 50 0 EGAARN CCN(CC)Cc1nnc2sc(-c3c[nH]c4ccccc34)nn12 ZINC000067239830 215126363 /nfs/dbraw/zinc/12/63/63/215126363.db2.gz PQSIXLOUDAFRSO-UHFFFAOYSA-N 0 0 326.429 3.176 50 0 EGAARN O=C(Cc1ccccc1)c1cc2c(cc1NC(=O)C1CC1)OCCO2 ZINC000067340216 215134860 /nfs/dbraw/zinc/13/48/60/215134860.db2.gz WZDZVCIFIYXISZ-UHFFFAOYSA-N 0 0 337.375 3.232 50 0 EGAARN CCOC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1 ZINC000067341060 215135161 /nfs/dbraw/zinc/13/51/61/215135161.db2.gz AMKRXYSAITVZLC-UHFFFAOYSA-N 0 0 341.392 3.454 50 0 EGAARN CCC[C@@H]1COCCN1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067446732 215146764 /nfs/dbraw/zinc/14/67/64/215146764.db2.gz OFDACXRDQZGZGY-GOSISDBHSA-N 0 0 336.439 3.397 50 0 EGAARN Cc1ccc(Nc2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)cc1 ZINC000067621224 215168901 /nfs/dbraw/zinc/16/89/01/215168901.db2.gz FTEHYDFZZASDRF-UHFFFAOYSA-N 0 0 329.363 3.432 50 0 EGAARN Cn1cccc1C(=O)N1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000067675122 215180130 /nfs/dbraw/zinc/18/01/30/215180130.db2.gz RODNFOBSEORGHG-QGZVFWFLSA-N 0 0 332.407 3.112 50 0 EGAARN Cc1cc(C)c(C)c(C(=O)NCCc2[nH]nc3c2CCCC3)c1C ZINC000067676082 215183355 /nfs/dbraw/zinc/18/33/55/215183355.db2.gz ANIKNSPSGFBCAZ-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/64/00/61/452640061.db2.gz NEPVMXXVWHEYEQ-GFCCVEGCSA-N 0 0 334.441 3.240 50 0 EGAARN COc1ccc(N2C(=O)C[C@H](Sc3ccc(C)cc3)C2=O)cc1 ZINC000001009898 452640665 /nfs/dbraw/zinc/64/06/65/452640665.db2.gz PPNYGEUYYXIJHT-INIZCTEOSA-N 0 0 327.405 3.428 50 0 EGAARN CCOC(=O)c1cc(OC(=O)c2ccccc2)n(-c2ccccc2)n1 ZINC000001061459 452642865 /nfs/dbraw/zinc/64/28/65/452642865.db2.gz IAJOGIUVBHPQQF-UHFFFAOYSA-N 0 0 336.347 3.268 50 0 EGAARN O=C(Cc1c(F)cccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000001049049 452643600 /nfs/dbraw/zinc/64/36/00/452643600.db2.gz KSOQECYBMQSYIV-UHFFFAOYSA-N 0 0 332.806 3.370 50 0 EGAARN COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 ZINC000001107091 452647543 /nfs/dbraw/zinc/64/75/43/452647543.db2.gz KJGCPAIZTBQIRK-GFCCVEGCSA-N 0 0 344.798 3.340 50 0 EGAARN COc1ccccc1NC(=O)CCC(=O)Nc1nnc(C(C)C)s1 ZINC000001238755 452649449 /nfs/dbraw/zinc/64/94/49/452649449.db2.gz YVXURVLFQOALAJ-UHFFFAOYSA-N 0 0 348.428 3.028 50 0 EGAARN CC1N=NC(=S)N1CC(=O)n1c2ccccc2c2c1CCCC2 ZINC000001264564 452650985 /nfs/dbraw/zinc/65/09/85/452650985.db2.gz AFLQFUGONQXDBP-UHFFFAOYSA-N 0 0 326.425 3.049 50 0 EGAARN CC(=O)Nc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001318726 452653493 /nfs/dbraw/zinc/65/34/93/452653493.db2.gz NPPLTZWDGLRUHW-OAHLLOKOSA-N 0 0 341.392 3.283 50 0 EGAARN CCN1c2ccccc2[C@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000001320416 452653839 /nfs/dbraw/zinc/65/38/39/452653839.db2.gz VYWIJOZJESRGHA-OAQYLSRUSA-N 0 0 337.419 3.439 50 0 EGAARN COC(=O)c1c2n(c(-c3cccc(F)c3)c1C(=O)OC)CSC2 ZINC000001383385 452657191 /nfs/dbraw/zinc/65/71/91/452657191.db2.gz SESWKIVXRYNKBF-UHFFFAOYSA-N 0 0 335.356 3.072 50 0 EGAARN COC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000001384137 452657198 /nfs/dbraw/zinc/65/71/98/452657198.db2.gz NLJDYDSVZOARQX-CQSZACIVSA-N 0 0 345.782 3.311 50 0 EGAARN O=C(c1cccnc1SCCC(F)=C(F)F)N1CCOCC1 ZINC000001402595 452661742 /nfs/dbraw/zinc/66/17/42/452661742.db2.gz SSZDDQZZXUORRQ-UHFFFAOYSA-N 0 0 332.347 3.114 50 0 EGAARN CCOC(=O)[C@H]1C(=O)NC(c2ccccc2)=N[C@@H]1c1ccc(F)cc1 ZINC000001404437 452661833 /nfs/dbraw/zinc/66/18/33/452661833.db2.gz IAOZEBYUWKLMDE-HZPDHXFCSA-N 0 0 340.354 3.463 50 0 EGAARN O=C1OCC2=C1[C@@H](c1ccccc1F)CC(=O)N2c1cccc(F)c1 ZINC000001429612 452663559 /nfs/dbraw/zinc/66/35/59/452663559.db2.gz CSFHGXRQECMLQS-CQSZACIVSA-N 0 0 341.313 3.296 50 0 EGAARN COc1cccc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)c1 ZINC000001428012 452664195 /nfs/dbraw/zinc/66/41/95/452664195.db2.gz PGBBPFCDQRSVCA-MRXNPFEDSA-N 0 0 335.359 3.027 50 0 EGAARN CCCc1sc(C(=O)NC[C@H]2CCCO2)cc1Br ZINC000001459129 452665454 /nfs/dbraw/zinc/66/54/54/452665454.db2.gz AFNPKZJJRHCUPQ-SECBINFHSA-N 0 0 332.263 3.372 50 0 EGAARN CC(C)NC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000001517161 452668049 /nfs/dbraw/zinc/66/80/49/452668049.db2.gz NVAXKCPJBLWSSG-UHFFFAOYSA-N 0 0 338.289 3.146 50 0 EGAARN CCOC(=O)Cc1cc(=O)oc2c3c(cc(OC)c12)OC(C)(C)CC3 ZINC000002128813 452686539 /nfs/dbraw/zinc/68/65/39/452686539.db2.gz TZFRPWIAFCSADL-UHFFFAOYSA-N 0 0 346.379 3.011 50 0 biogenic EGAARN CCN(CC)C(=O)[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl ZINC000002260847 452689975 /nfs/dbraw/zinc/68/99/75/452689975.db2.gz XAWSHJSZOVQASK-JTQLQIEISA-N 0 0 348.226 3.172 50 0 EGAARN CCOC(=O)NC([N-]c1cc(C)cc[nH+]1)(C(F)(F)F)C(F)(F)F ZINC000002206419 452690146 /nfs/dbraw/zinc/69/01/46/452690146.db2.gz UGBADRRMQZZHES-UHFFFAOYSA-N 0 0 345.243 3.369 50 0 EGAARN CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(C)c(C)c1)C(F)(F)F ZINC000002333729 452693547 /nfs/dbraw/zinc/69/35/47/452693547.db2.gz BXIYMAZJTMDWLL-HNNXBMFYSA-N 0 0 346.349 3.063 50 0 EGAARN CCCCOc1ccc(NC(=O)CSc2nnc(N)s2)cc1 ZINC000002353741 452695675 /nfs/dbraw/zinc/69/56/75/452695675.db2.gz WNRHIVUBKDJYTB-UHFFFAOYSA-N 0 0 338.458 3.030 50 0 EGAARN CCC1CCC(C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)CC1 ZINC000002497003 452701805 /nfs/dbraw/zinc/70/18/05/452701805.db2.gz WBXUKLQZSYLBLA-VMBOVVBDSA-N 0 0 334.460 3.253 50 0 EGAARN CCCCN(CC)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000002498382 452702833 /nfs/dbraw/zinc/70/28/33/452702833.db2.gz CAKDQFSVKOJVCV-UHFFFAOYSA-N 0 0 343.452 3.480 50 0 EGAARN CCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 ZINC000002497391 452702922 /nfs/dbraw/zinc/70/29/22/452702922.db2.gz KKTRDEQNJQTPME-CYBMUJFWSA-N 0 0 330.413 3.132 50 0 EGAARN CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1 ZINC000002601567 452706385 /nfs/dbraw/zinc/70/63/85/452706385.db2.gz HPGWZDOUDVPQRB-VMBOVVBDSA-N 0 0 334.460 3.253 50 0 EGAARN Cc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1 ZINC000002723641 452716850 /nfs/dbraw/zinc/71/68/50/452716850.db2.gz OYNYADQXKWIPLC-UHFFFAOYSA-N 0 0 332.360 3.039 50 0 EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1cccs1 ZINC000002708275 452717052 /nfs/dbraw/zinc/71/70/52/452717052.db2.gz ASGALPFMGHWDMO-VOTSOKGWSA-N 0 0 347.392 3.204 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)/C=C/c2c(C)nn(CC)c2C)cc1 ZINC000002761397 452720025 /nfs/dbraw/zinc/72/00/25/452720025.db2.gz UFGGKEYRHXORMX-VAWYXSNFSA-N 0 0 341.411 3.348 50 0 EGAARN CCn1nc(C)c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)c1C ZINC000002780293 452722712 /nfs/dbraw/zinc/72/27/12/452722712.db2.gz QEMNIRMKKNZWCA-UHFFFAOYSA-N 0 0 345.781 3.254 50 0 EGAARN C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)cc1F ZINC000002794205 452724424 /nfs/dbraw/zinc/72/44/24/452724424.db2.gz SSTQKDSUVGTWTK-MRVPVSSYSA-N 0 0 344.159 3.199 50 0 EGAARN Cc1nn(CCCNC(=S)NCc2ccccc2)c(C)c1Cl ZINC000002794171 452724478 /nfs/dbraw/zinc/72/44/78/452724478.db2.gz ROGDWCNJXVBAEM-UHFFFAOYSA-N 0 0 336.892 3.208 50 0 EGAARN O=C(NCc1ccccc1)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000002794064 452724613 /nfs/dbraw/zinc/72/46/13/452724613.db2.gz ZOFYJTQHYCLJBZ-UHFFFAOYSA-N 0 0 346.365 3.465 50 0 EGAARN C[C@H]1CCCN(C(=O)c2cc3nccc(-c4ccc(F)cc4)n3n2)C1 ZINC000002792333 452724673 /nfs/dbraw/zinc/72/46/73/452724673.db2.gz YCEWXNPNBUZJJD-ZDUSSCGKSA-N 0 0 338.386 3.408 50 0 EGAARN CCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000002812259 452727673 /nfs/dbraw/zinc/72/76/73/452727673.db2.gz XDLZZXJKLOYYAG-OAHLLOKOSA-N 0 0 340.423 3.334 50 0 EGAARN Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)cc(C)c1Cl ZINC000002816186 452728384 /nfs/dbraw/zinc/72/83/84/452728384.db2.gz AKZUFFUJYMTGAF-UHFFFAOYSA-N 0 0 332.787 3.073 50 0 EGAARN O=C(CNCc1ccco1)Nc1ncc(Cc2ccccc2F)s1 ZINC000002887711 452734448 /nfs/dbraw/zinc/73/44/48/452734448.db2.gz BENMNXCPXWMGFY-UHFFFAOYSA-N 0 0 345.399 3.194 50 0 EGAARN CCOC(=O)C(C=Nc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000003118806 452744295 /nfs/dbraw/zinc/74/42/95/452744295.db2.gz PZLMHLRMNPZIET-UHFFFAOYSA-N 0 0 332.183 3.415 50 0 EGAARN O=C(COC(=O)Cc1ccsc1)Nc1ccccc1C(F)(F)F ZINC000003275290 452756390 /nfs/dbraw/zinc/75/63/90/452756390.db2.gz PPKJHHJUGNSUJK-UHFFFAOYSA-N 0 0 343.326 3.491 50 0 EGAARN O=C(c1cc(-c2ccc(O)cc2)on1)N1CCN(c2ccccc2)CC1 ZINC000003907737 452787807 /nfs/dbraw/zinc/78/78/07/452787807.db2.gz AZEHUOYTJYTVTJ-UHFFFAOYSA-N 0 0 349.390 3.010 50 0 EGAARN COc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000003999966 452790598 /nfs/dbraw/zinc/79/05/98/452790598.db2.gz CPZRDQBJZMDNHO-IWGBCORSSA-N 0 0 334.419 3.332 50 0 biogenic EGAARN CCOC(=O)[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000004301622 452800038 /nfs/dbraw/zinc/80/00/38/452800038.db2.gz XJAIOXRLSLOVEV-LBPRGKRZSA-N 0 0 325.368 3.156 50 0 EGAARN COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nc[nH]n1 ZINC000004373203 452802220 /nfs/dbraw/zinc/80/22/20/452802220.db2.gz IXDVNDJIMSMSGT-LLVKDONJSA-N 0 0 346.456 3.224 50 0 EGAARN Cc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)C(F)(F)F)c1 ZINC000004568538 452808431 /nfs/dbraw/zinc/80/84/31/452808431.db2.gz YOJKLIYBMJFYDN-NSHDSACASA-N 0 0 340.223 3.010 50 0 EGAARN CCCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OCC)c1 ZINC000004711540 452815452 /nfs/dbraw/zinc/81/54/52/452815452.db2.gz INAUOZLFWCPMBO-UHFFFAOYSA-N 0 0 348.443 3.219 50 0 EGAARN CCCOC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCOCC1 ZINC000004749046 452816683 /nfs/dbraw/zinc/81/66/83/452816683.db2.gz FUKQVHOFNOKSKB-UHFFFAOYSA-N 0 0 348.443 3.075 50 0 EGAARN CC(C)c1nc2sc3c(ncnc3NN)c2c2c1COC(C)(C)C2 ZINC000004834494 452819436 /nfs/dbraw/zinc/81/94/36/452819436.db2.gz HVZCQOGZXGTKPR-UHFFFAOYSA-N 0 0 343.456 3.500 50 0 EGAARN COc1ccc2c(=O)/c(=C/c3ccc4c(c3)OCO4)oc3cccc1c32 ZINC000005059691 452834258 /nfs/dbraw/zinc/83/42/58/452834258.db2.gz KJAQJIYADOSPQJ-GRSHGNNSSA-N 0 0 346.338 3.231 50 0 biogenic EGAARN CC[C@@H](C(=O)Nc1ccccc1Cl)n1nnc2ccccc2c1=O ZINC000005241045 452849754 /nfs/dbraw/zinc/84/97/54/452849754.db2.gz FTCHJNUCGNJIPZ-HNNXBMFYSA-N 0 0 342.786 3.035 50 0 EGAARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(F)cc1F ZINC000005245125 452851376 /nfs/dbraw/zinc/85/13/76/452851376.db2.gz HWTJIBIAFRDSGC-UHFFFAOYSA-N 0 0 343.333 3.094 50 0 EGAARN CCCC[C@H](CC)C[NH2+][C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000005257915 452851777 /nfs/dbraw/zinc/85/17/77/452851777.db2.gz BSFYPAMJQCGQBS-BBRMVZONSA-N 0 0 338.423 3.414 50 0 EGAARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(F)c1 ZINC000005250635 452852116 /nfs/dbraw/zinc/85/21/16/452852116.db2.gz KWTLYZSEYVATCZ-UHFFFAOYSA-N 0 0 348.399 3.008 50 0 EGAARN Cn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)cc2cccnc21 ZINC000005303658 452856320 /nfs/dbraw/zinc/85/63/20/452856320.db2.gz LCIRPPOTYXEMPR-UHFFFAOYSA-N 0 0 348.189 3.493 50 0 EGAARN Cc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)c1 ZINC000005401535 452868416 /nfs/dbraw/zinc/86/84/16/452868416.db2.gz ZTBCUFWUTQCIAW-UHFFFAOYSA-N 0 0 347.418 3.474 50 0 EGAARN CCOc1ccccc1NC(=O)CCn1c2ccccc2sc1=O ZINC000005451449 452874788 /nfs/dbraw/zinc/87/47/88/452874788.db2.gz CHUPCNJNSVGVBR-UHFFFAOYSA-N 0 0 342.420 3.491 50 0 EGAARN Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(F)c3)n2)c1 ZINC000005451398 452874836 /nfs/dbraw/zinc/87/48/36/452874836.db2.gz LFOLGHIIVWCKEG-UHFFFAOYSA-N 0 0 325.343 3.456 50 0 EGAARN O=C(NCc1ccccn1)c1cc2cc(Br)ccc2[nH]1 ZINC000005483299 452878193 /nfs/dbraw/zinc/87/81/93/452878193.db2.gz CXNHPYZJMYZWLE-UHFFFAOYSA-N 0 0 330.185 3.255 50 0 EGAARN CC(=O)Nc1ccc(N2C(=O)c3cccc4c(O)ccc(c43)C2=O)cc1 ZINC000005685870 452893266 /nfs/dbraw/zinc/89/32/66/452893266.db2.gz SRNZTNLQHOVBRJ-UHFFFAOYSA-N 0 0 346.342 3.304 50 0 EGAARN C[C@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000006202370 452924564 /nfs/dbraw/zinc/92/45/64/452924564.db2.gz NDLPIVRSBPVHMK-GJZGRUSLSA-N 0 0 331.437 3.152 50 0 EGAARN COc1cc(OC)cc(N2C(=S)N=NC2CCc2ccccc2)c1 ZINC000006397716 452940748 /nfs/dbraw/zinc/94/07/48/452940748.db2.gz WFESEEGRYNOZES-UHFFFAOYSA-N 0 0 341.436 3.358 50 0 EGAARN CCCCC(=O)Nc1ccc2c(c1)nc(CCn1ccnc1C)n2C ZINC000006665031 452967754 /nfs/dbraw/zinc/96/77/54/452967754.db2.gz OXCMWHXPSNQXCI-UHFFFAOYSA-N 0 0 339.443 3.450 50 0 EGAARN Cc1nn(Cc2nc(-c3ccccc3)no2)c(C)c1Br ZINC000006701810 452972196 /nfs/dbraw/zinc/97/21/96/452972196.db2.gz GZPZWVUTBCPWEA-UHFFFAOYSA-N 0 0 333.189 3.361 50 0 EGAARN O=C(CCN1C(=O)c2ccccc2C1=O)OCc1cccc(Cl)c1 ZINC000006701066 452972213 /nfs/dbraw/zinc/97/22/13/452972213.db2.gz XOIJGJAHDZHNKD-UHFFFAOYSA-N 0 0 343.766 3.070 50 0 EGAARN O=C(NCc1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000006715957 452975878 /nfs/dbraw/zinc/97/58/78/452975878.db2.gz LOADYOOEQSHNES-UHFFFAOYSA-N 0 0 348.284 3.080 50 0 EGAARN COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000006729130 452978148 /nfs/dbraw/zinc/97/81/48/452978148.db2.gz FNYOMXKZZIVYAN-UHFFFAOYSA-N 0 0 338.407 3.112 50 0 EGAARN Cc1ccc(OCC(=O)NCc2nc(-c3ccccc3)no2)cc1C ZINC000006747021 452982037 /nfs/dbraw/zinc/98/20/37/452982037.db2.gz NUYGKBBTGWWWAB-UHFFFAOYSA-N 0 0 337.379 3.049 50 0 EGAARN COc1cccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)oc21 ZINC000006747210 452982107 /nfs/dbraw/zinc/98/21/07/452982107.db2.gz VPVJVEQWSUDRMJ-UHFFFAOYSA-N 0 0 325.320 3.465 50 0 EGAARN Nc1cc(N)nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 ZINC000006831834 452996641 /nfs/dbraw/zinc/99/66/41/452996641.db2.gz MXFAEGNTLKLFQD-QGZVFWFLSA-N 0 0 336.420 3.357 50 0 EGAARN CCc1cccc(C)c1NC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000007390231 453068549 /nfs/dbraw/zinc/06/85/49/453068549.db2.gz KPWQEPUSZAHNMM-UHFFFAOYSA-N 0 0 335.407 3.214 50 0 EGAARN Cc1cc2oc(=O)cc(CN3CCN(c4ccccn4)CC3)c2cc1C ZINC000007448584 453075942 /nfs/dbraw/zinc/07/59/42/453075942.db2.gz RNCSEYCSLCADLC-UHFFFAOYSA-N 0 0 349.434 3.127 50 0 EGAARN O=C(c1cccc(Br)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000007616137 453094554 /nfs/dbraw/zinc/09/45/54/453094554.db2.gz OIMYYFNKNKBUAM-CJNGLKHVSA-N 0 0 338.245 3.216 50 0 EGAARN CC(C)c1nnc(NC(=O)c2cncc(Br)c2)s1 ZINC000008048366 453153992 /nfs/dbraw/zinc/15/39/92/453153992.db2.gz RCLDJCDYYQBIKZ-UHFFFAOYSA-N 0 0 327.207 3.071 50 0 EGAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000008477585 453207441 /nfs/dbraw/zinc/20/74/41/453207441.db2.gz COEFDGSMMDRJSV-INIZCTEOSA-N 0 0 344.798 3.483 50 0 EGAARN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 ZINC000008491703 453209517 /nfs/dbraw/zinc/20/95/17/453209517.db2.gz FICNNDAQBLVCSO-SFHVURJKSA-N 0 0 336.435 3.333 50 0 EGAARN Cc1nn([C@H](C)CNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1C ZINC000008714483 453226371 /nfs/dbraw/zinc/22/63/71/453226371.db2.gz AKLOIQNYJFTFJB-SNVBAGLBSA-N 0 0 341.864 3.001 50 0 EGAARN CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000009134282 453244899 /nfs/dbraw/zinc/24/48/99/453244899.db2.gz OZJTZHOSCXFRBQ-UHFFFAOYSA-N 0 0 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ZINC000032095598 453863818 /nfs/dbraw/zinc/86/38/18/453863818.db2.gz LOVOFJFEVPGECL-QGZVFWFLSA-N 0 0 328.799 3.145 50 0 EGAARN O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000032089358 453863995 /nfs/dbraw/zinc/86/39/95/453863995.db2.gz CWSIOTBOECPYMC-NSHDSACASA-N 0 0 330.771 3.037 50 0 EGAARN O=C(NCc1ccccc1Cl)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000032087888 453864145 /nfs/dbraw/zinc/86/41/45/453864145.db2.gz UZDNSVWFIRSDCH-UHFFFAOYSA-N 0 0 327.771 3.076 50 0 EGAARN Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032092203 453864218 /nfs/dbraw/zinc/86/42/18/453864218.db2.gz CRMJXSVRRVAAEY-GFCCVEGCSA-N 0 0 329.787 3.035 50 0 EGAARN COc1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)cc1OC ZINC000032106113 453864429 /nfs/dbraw/zinc/86/44/29/453864429.db2.gz NRWMOCDFCJHWGN-UHFFFAOYSA-N 0 0 343.408 3.132 50 0 EGAARN Cc1sc2nc(NCCO)n3nc(-c4ccccc4)nc3c2c1C ZINC000032104432 453864770 /nfs/dbraw/zinc/86/47/70/453864770.db2.gz KQJXOWJLGHIZOG-UHFFFAOYSA-N 0 0 339.424 3.027 50 0 EGAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)n1 ZINC000032104264 453864832 /nfs/dbraw/zinc/86/48/32/453864832.db2.gz LTDHUOOCDJULGU-AWEZNQCLSA-N 0 0 343.814 3.031 50 0 EGAARN CSc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c2cccc3Cl)cc1 ZINC000032102694 453864854 /nfs/dbraw/zinc/86/48/54/453864854.db2.gz ZXQFVHNQBBYLHV-KRWDZBQOSA-N 0 0 347.823 3.475 50 0 EGAARN O=C(NC[C@@](O)(c1cccs1)C1CC1)c1nc2ccccc2s1 ZINC000075155288 453867071 /nfs/dbraw/zinc/86/70/71/453867071.db2.gz IXBWKTBADRNGOH-KRWDZBQOSA-N 0 0 344.461 3.385 50 0 EGAARN O=S(=O)(c1ccccc1F)N1CCC(c2cccs2)CC1 ZINC000075157065 453867617 /nfs/dbraw/zinc/86/76/17/453867617.db2.gz YJDJDNSWNIVIRN-UHFFFAOYSA-N 0 0 325.430 3.456 50 0 EGAARN CSCC[C@@](C)(O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000075157519 453867730 /nfs/dbraw/zinc/86/77/30/453867730.db2.gz DEGJOABVYCFJIN-MRXNPFEDSA-N 0 0 345.892 3.118 50 0 EGAARN CSC[C@@](C)(O)CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000075157272 453867989 /nfs/dbraw/zinc/86/79/89/453867989.db2.gz FFGWJHPZJBDPDD-IBGZPJMESA-N 0 0 329.465 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Cc1nc2c(nc(C)nc2N2CCO[C@@H](c3ccccc3Cl)C2)o1 ZINC000063845278 1292026497 /nfs/dbraw/zinc/02/64/97/1292026497.db2.gz CBSBBNDZRDVVJQ-CQSZACIVSA-N 0 0 344.802 3.466 50 0 EGAARN CCC(CC)N(CCc1ccccc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000065502818 1292080325 /nfs/dbraw/zinc/08/03/25/1292080325.db2.gz ZYXFSYCWMYHHIA-QGZVFWFLSA-N 0 0 345.487 3.037 50 0 EGAARN Cc1cc(F)ccc1OC1(C(=O)[O-])CC[NH+](Cc2ccccn2)CC1 ZINC000072439651 1292276667 /nfs/dbraw/zinc/27/66/67/1292276667.db2.gz USINVCDWRDNAGP-UHFFFAOYSA-N 0 0 344.386 3.027 50 0 EGAARN Cc1c2[nH]cnc2cc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)c1C ZINC000827693679 1292357889 /nfs/dbraw/zinc/35/78/89/1292357889.db2.gz DTBZGXDUXZHUON-CYBMUJFWSA-N 0 0 341.411 3.384 50 0 EGAARN Cc1cccc2[nH]c(COCC(=O)N[C@@H](C)C3=CCCCC3)nc21 ZINC000827989677 1292415430 /nfs/dbraw/zinc/41/54/30/1292415430.db2.gz SROUGVXGKQWWRA-AWEZNQCLSA-N 0 0 327.428 3.393 50 0 EGAARN Cc1sc2[nH]c(CCNC(=O)NC3CCCCC3)nc(=O)c2c1C ZINC000828007620 1292417896 /nfs/dbraw/zinc/41/78/96/1292417896.db2.gz 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COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100637644 219103506 /nfs/dbraw/zinc/10/35/06/219103506.db2.gz UDDNAYUDLDPZNW-OAHLLOKOSA-N 0 0 330.771 3.093 50 0 EGAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000004423037 210190735 /nfs/dbraw/zinc/19/07/35/210190735.db2.gz UYRRXUPQPWDWMH-HNAYVOBHSA-N 0 0 325.408 3.416 50 0 EGAARN CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1O ZINC000100840328 219108615 /nfs/dbraw/zinc/10/86/15/219108615.db2.gz ANMAAXKGCLYXMD-UVTDQMKNSA-N 0 0 346.452 3.181 50 0 EGAARN COc1cc(OC)cc(C(=O)/N=c2\sc3cccc(F)c3n2C)c1 ZINC000100909228 219111095 /nfs/dbraw/zinc/11/10/95/219111095.db2.gz QMERYBNZHZNYJY-ZPHPHTNESA-N 0 0 346.383 3.137 50 0 EGAARN CC(=O)N(CN1C(=O)[C@@H]2C[C@H](C)CC[C@@H]2C1=O)c1cccc(Cl)c1 ZINC000100982237 219112526 /nfs/dbraw/zinc/11/25/26/219112526.db2.gz RAVZPKQROICIAF-XFBWCDHKSA-N 0 0 348.830 3.072 50 0 EGAARN CCc1ccc(N2C[C@H](C(=O)Oc3ccccc3OC)CC2=O)cc1 ZINC000004385272 210185425 /nfs/dbraw/zinc/18/54/25/210185425.db2.gz 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/nfs/dbraw/zinc/15/20/87/210152087.db2.gz KHISHRJLKPGTHK-UHFFFAOYSA-N 0 0 334.832 3.316 50 0 EGAARN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000004247111 210151641 /nfs/dbraw/zinc/15/16/41/210151641.db2.gz LRCONWJZUIRFRP-OAHLLOKOSA-N 0 0 328.393 3.076 50 0 EGAARN CCc1nc(C)c(C(=O)N(C)Cc2cc(-c3ccccc3)on2)o1 ZINC000065406514 214897201 /nfs/dbraw/zinc/89/72/01/214897201.db2.gz YHQQYDPRQADBME-UHFFFAOYSA-N 0 0 325.368 3.473 50 0 EGAARN COc1cc(C)c([C@@H]2CC(=O)NCc3nc4sccn4c32)cc1C ZINC000065408832 214900173 /nfs/dbraw/zinc/90/01/73/214900173.db2.gz HUNADYRMBBCELR-ZDUSSCGKSA-N 0 0 341.436 3.173 50 0 EGAARN CCCCOc1ccc(C(=O)NCC[C@@]2(O)CCOC(C)(C)C2)cc1 ZINC000004154525 210133370 /nfs/dbraw/zinc/13/33/70/210133370.db2.gz MECUYLSQSOYKMI-HXUWFJFHSA-N 0 0 349.471 3.306 50 0 EGAARN CCOC(=O)CCCSc1nc2sc3c(c2c(N)n1)CCC3 ZINC000004140127 210130322 /nfs/dbraw/zinc/13/03/22/210130322.db2.gz AWCSFCYJIMDOLE-UHFFFAOYSA-N 0 0 337.470 3.198 50 0 EGAARN COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccccc1F ZINC000004110789 210122263 /nfs/dbraw/zinc/12/22/63/210122263.db2.gz YYFAJIURDYMJLS-UHFFFAOYSA-N 0 0 342.370 3.061 50 0 EGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(OC)c1)CC3 ZINC000004085643 210117028 /nfs/dbraw/zinc/11/70/28/210117028.db2.gz IKRJOTXGYZNWHO-UHFFFAOYSA-N 0 0 336.391 3.384 50 0 biogenic EGAARN Cc1cc(C)cc(C(=O)N2CCN=C2SCc2cccnc2)c1 ZINC000004061128 210110879 /nfs/dbraw/zinc/11/08/79/210110879.db2.gz SYYJHHBMVMBDKY-UHFFFAOYSA-N 0 0 325.437 3.444 50 0 EGAARN COc1ccc(COC(=O)Nc2cn(C)nc2C(F)(F)F)cc1 ZINC000004060290 210110247 /nfs/dbraw/zinc/11/02/47/210110247.db2.gz CZMDHRHHTNBKSW-UHFFFAOYSA-N 0 0 329.278 3.196 50 0 EGAARN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(O)cc2)N1 ZINC000004009336 210100744 /nfs/dbraw/zinc/10/07/44/210100744.db2.gz BBDRUUUULBTNQN-AWEZNQCLSA-N 0 0 330.306 3.035 50 0 EGAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC ZINC000004017177 210100211 /nfs/dbraw/zinc/10/02/11/210100211.db2.gz YRAPZNBKKPFWKH-INIZCTEOSA-N 0 0 332.400 3.057 50 0 EGAARN COc1ccccc1CCn1cnc2c3ccccc3n(C)c2c1=O ZINC000004000189 210098439 /nfs/dbraw/zinc/09/84/39/210098439.db2.gz LHBGYGRBKLOATD-UHFFFAOYSA-N 0 0 333.391 3.140 50 0 biogenic EGAARN COc1cc(NC(=O)c2cc(CC(C)C)on2)cc(OC)c1OC ZINC000003909141 210091626 /nfs/dbraw/zinc/09/16/26/210091626.db2.gz MXFGQNMIBMIIHF-UHFFFAOYSA-N 0 0 334.372 3.151 50 0 EGAARN COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)no1 ZINC000003908001 210091496 /nfs/dbraw/zinc/09/14/96/210091496.db2.gz FTBLCRVTCRYUDO-UHFFFAOYSA-N 0 0 326.327 3.419 50 0 EGAARN CCCN(Cc1ccc(OC)cc1)C(=O)CC1=CSC2=NCCN12 ZINC000102325454 219194530 /nfs/dbraw/zinc/19/45/30/219194530.db2.gz IQUZDDGVCVSYDA-UHFFFAOYSA-N 0 0 345.468 3.084 50 0 EGAARN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccco1)c1ccccc1 ZINC000003641563 210070616 /nfs/dbraw/zinc/07/06/16/210070616.db2.gz CJNXXVVEEYUUSN-QGZVFWFLSA-N 0 0 333.347 3.191 50 0 EGAARN CCOC(=O)C(C=Nc1cccc2c(C)c(C)n(C)c21)C(=O)OCC ZINC000003621175 210067742 /nfs/dbraw/zinc/06/77/42/210067742.db2.gz PBRXIWLFKIZMFH-UHFFFAOYSA-N 0 0 344.411 3.217 50 0 EGAARN COc1ccc(C2=Nn3c(Cc4cccs4)nnc3SC2)cc1 ZINC000045067806 213705325 /nfs/dbraw/zinc/70/53/25/213705325.db2.gz BZKIVMOICCAJPV-UHFFFAOYSA-N 0 0 342.449 3.297 50 0 EGAARN Cc1ccc(NC(=O)COC(=O)c2cccc(N(C)C)c2)c(C)c1 ZINC000003400358 210028706 /nfs/dbraw/zinc/02/87/06/210028706.db2.gz BSRLXKAEYUECFB-UHFFFAOYSA-N 0 0 326.396 3.165 50 0 EGAARN O=C(COC(=O)c1cccnc1Cl)Nc1ccccc1Cl ZINC000003397121 210026938 /nfs/dbraw/zinc/02/69/38/210026938.db2.gz BBLHLSYCXSPWKG-UHFFFAOYSA-N 0 0 325.151 3.184 50 0 EGAARN O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(F)ccc1F ZINC000003385476 210023778 /nfs/dbraw/zinc/02/37/78/210023778.db2.gz MHFICEMMFFVAQK-UHFFFAOYSA-N 0 0 325.698 3.414 50 0 EGAARN COCCN1CC(=O)C(c2nc(-c3ccc(OC)cc3)cs2)=C1N ZINC000102734260 219226205 /nfs/dbraw/zinc/22/62/05/219226205.db2.gz ZHFHQGOQNJEPBC-UHFFFAOYSA-N 0 0 345.424 3.027 50 0 EGAARN Clc1ncnc2c3c4c(c(N5CCOCC5)nc3sc21)CCC4 ZINC000020057738 282549290 /nfs/dbraw/zinc/54/92/90/282549290.db2.gz WBSBTIDKOZXGKI-UHFFFAOYSA-N 0 0 346.843 3.218 50 0 EGAARN Cc1cc(-n2cc(C(=O)NCCCc3ccccc3)nn2)ccc1F ZINC000067262022 215129201 /nfs/dbraw/zinc/12/92/01/215129201.db2.gz UUNZOJXEIVJPAZ-UHFFFAOYSA-N 0 0 338.386 3.077 50 0 EGAARN CSc1ccccc1C(=O)c1ccc(CN2CCOCC2)cc1 ZINC000043210834 213568243 /nfs/dbraw/zinc/56/82/43/213568243.db2.gz SSCSHHNTXFSNHR-UHFFFAOYSA-N 0 0 327.449 3.472 50 0 EGAARN Cc1nc2cc(Cc3nc(C4CC4)nn3-c3ccccn3)ccc2[nH]1 ZINC000067446803 215146895 /nfs/dbraw/zinc/14/68/95/215146895.db2.gz ZTBUTQZFVZXBJV-UHFFFAOYSA-N 0 0 330.395 3.315 50 0 EGAARN COc1ccc2[nH]c(=O)c(CN(C)Cc3cccnc3Cl)cc2c1 ZINC000067673138 215176769 /nfs/dbraw/zinc/17/67/69/215176769.db2.gz UWGZEJDRVCRUMH-UHFFFAOYSA-N 0 0 343.814 3.217 50 0 EGAARN CC[C@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)c1cc(C)ccn1 ZINC000067755383 215203004 /nfs/dbraw/zinc/20/30/04/215203004.db2.gz WWVNZXMPYNTFNH-AWEZNQCLSA-N 0 0 336.395 3.367 50 0 EGAARN COc1ccc(OC)c(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)c1 ZINC000002981270 209949873 /nfs/dbraw/zinc/94/98/73/209949873.db2.gz RFYSRYCQDCHSKN-CJNGLKHVSA-N 0 0 339.391 3.387 50 0 EGAARN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)N(C)C)CCO3)s1 ZINC000067773559 215209141 /nfs/dbraw/zinc/20/91/41/215209141.db2.gz RJZQBSDVKRGLFG-UHFFFAOYSA-N 0 0 332.425 3.305 50 0 EGAARN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)Cc3ncccc3C)[nH]n2)o1 ZINC000067834135 215225066 /nfs/dbraw/zinc/22/50/66/215225066.db2.gz FOXMTIUOBDTWQH-CYBMUJFWSA-N 0 0 338.411 3.385 50 0 EGAARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1OC ZINC000002889423 209937869 /nfs/dbraw/zinc/93/78/69/209937869.db2.gz AYHATLPEDCJPHN-UHFFFAOYSA-N 0 0 341.392 3.475 50 0 EGAARN CCc1csc(CNC(=O)c2ccc(N3CCC[C@@H]3C)nc2)n1 ZINC000067847525 215230535 /nfs/dbraw/zinc/23/05/35/215230535.db2.gz VWJGENOSCOTXJP-LBPRGKRZSA-N 0 0 330.457 3.019 50 0 EGAARN CCc1nnc(SCC(=O)Nc2nc3ccc(C)cc3s2)o1 ZINC000002872132 209932532 /nfs/dbraw/zinc/93/25/32/209932532.db2.gz RPLBHYPWQPBUKX-UHFFFAOYSA-N 0 0 334.426 3.281 50 0 EGAARN COc1ccc(OC)c(-c2nc(Cn3cnc(C4CC4)n3)c(C)o2)c1 ZINC000067856845 215233721 /nfs/dbraw/zinc/23/37/21/215233721.db2.gz CDYDFRGDSRSFAV-UHFFFAOYSA-N 0 0 340.383 3.184 50 0 EGAARN Cc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)on1 ZINC000067878207 215238118 /nfs/dbraw/zinc/23/81/18/215238118.db2.gz XIJBQJYICDVTOF-ZWKOTPCHSA-N 0 0 336.391 3.127 50 0 EGAARN Cc1nc2sccn2c1C(=O)NCc1c[nH]nc1-c1cccs1 ZINC000067879053 215239215 /nfs/dbraw/zinc/23/92/15/215239215.db2.gz UUDZYFRMNTUSLV-UHFFFAOYSA-N 0 0 343.437 3.086 50 0 EGAARN O=C(NCCCc1ccccn1)c1ccc(N2CCCCCC2)nc1 ZINC000067920405 215249864 /nfs/dbraw/zinc/24/98/64/215249864.db2.gz PDSWGENOJCKBRG-UHFFFAOYSA-N 0 0 338.455 3.220 50 0 EGAARN O=C([O-])c1cc(C[NH+]2CCC(Oc3ccccc3F)CC2)ccc1O ZINC000067934197 215253120 /nfs/dbraw/zinc/25/31/20/215253120.db2.gz BKVAUWKNNZCUJX-UHFFFAOYSA-N 0 0 345.370 3.273 50 0 EGAARN COc1ccc(C)cc1NC(=O)c1c(Br)c(C)nn1C ZINC000002764515 209904795 /nfs/dbraw/zinc/90/47/95/209904795.db2.gz XQJOXNWWXFTGJK-UHFFFAOYSA-N 0 0 338.205 3.060 50 0 EGAARN C[C@H](O)c1cccc(Nc2nc3ccccc3c(NCCCO)n2)c1 ZINC000041150192 213426421 /nfs/dbraw/zinc/42/64/21/213426421.db2.gz ZZCVSDKRWFCKAJ-ZDUSSCGKSA-N 0 0 338.411 3.221 50 0 EGAARN O=C(Nc1nc(=O)n(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000002504502 209859488 /nfs/dbraw/zinc/85/94/88/209859488.db2.gz RBQZKJCVLSTPHG-UHFFFAOYSA-N 0 0 331.784 3.200 50 0 EGAARN COc1ccc(-n2ncc(C(=O)c3ccccc3Cl)c2N)cc1 ZINC000002522145 209863164 /nfs/dbraw/zinc/86/31/64/209863164.db2.gz PCXUQDOPCHPJBA-UHFFFAOYSA-N 0 0 327.771 3.348 50 0 EGAARN COC(=O)c1ccc(COc2cc(C)cc3oc(=O)cc(C)c23)o1 ZINC000041105530 213417834 /nfs/dbraw/zinc/41/78/34/213417834.db2.gz YKRBQWOKDQSGCB-UHFFFAOYSA-N 0 0 328.320 3.368 50 0 EGAARN O=C(Cc1ccccc1)Nc1nnc(COc2ccccc2F)s1 ZINC000002198626 209829138 /nfs/dbraw/zinc/82/91/38/209829138.db2.gz QWJUEBGSXYEILT-UHFFFAOYSA-N 0 0 343.383 3.437 50 0 EGAARN Cc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)cc1 ZINC000104326978 219374332 /nfs/dbraw/zinc/37/43/32/219374332.db2.gz JLJKKWXNYPZAHM-OAQYLSRUSA-N 0 0 342.458 3.203 50 0 EGAARN O=C(NCCn1ccc2cc(Br)ccc21)c1cccnc1 ZINC000040819868 213389458 /nfs/dbraw/zinc/38/94/58/213389458.db2.gz HYLGNUACYRXDHU-UHFFFAOYSA-N 0 0 344.212 3.229 50 0 EGAARN COC(=O)c1cc(Br)c(N)c(OCc2ccccc2)c1 ZINC000040564574 213351417 /nfs/dbraw/zinc/35/14/17/213351417.db2.gz JUCFKDDNGJOJPC-UHFFFAOYSA-N 0 0 336.185 3.397 50 0 EGAARN CC(C)(C)C(=O)CSc1ncnc2c1ncn2CC(=O)C(C)(C)C ZINC000040546370 213346121 /nfs/dbraw/zinc/34/61/21/213346121.db2.gz OZTKRIOEWRDQCO-UHFFFAOYSA-N 0 0 348.472 3.149 50 0 biogenic,in-vitro EGAARN CC(C)(NC(=O)CSCc1ccncc1)c1ccc2c(c1)OCO2 ZINC000069381529 215394736 /nfs/dbraw/zinc/39/47/36/215394736.db2.gz CBGSXJARUBKTEQ-UHFFFAOYSA-N 0 0 344.436 3.095 50 0 EGAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(F)cc1C ZINC000040478713 213314043 /nfs/dbraw/zinc/31/40/43/213314043.db2.gz ZTEMWJXECNTIMF-UHFFFAOYSA-N 0 0 339.370 3.045 50 0 EGAARN Cc1cc(S(=O)(=O)Nc2cccc(O)c2)ccc1Br ZINC000040414060 213300538 /nfs/dbraw/zinc/30/05/38/213300538.db2.gz UZZSKDQJERXQHV-UHFFFAOYSA-N 0 0 342.214 3.264 50 0 EGAARN CCn1nc(C)c(-c2nn3c(nnc3-c3ccc(F)cc3)s2)c1C ZINC000040287862 213289463 /nfs/dbraw/zinc/28/94/63/213289463.db2.gz IZGIINOPCLDIEY-UHFFFAOYSA-N 0 0 342.403 3.492 50 0 EGAARN O=C(CC1(Cn2cnc3ccccc3c2=O)CCCCC1)NC1CC1 ZINC000040282835 213286630 /nfs/dbraw/zinc/28/66/30/213286630.db2.gz IPQJVQDGJVUNRX-UHFFFAOYSA-N 0 0 339.439 3.016 50 0 EGAARN Fc1cccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 ZINC000000540805 283012811 /nfs/dbraw/zinc/01/28/11/283012811.db2.gz PNLGRNNBDJYTKT-UHFFFAOYSA-N 0 0 330.326 3.269 50 0 EGAARN CC(C)[C@H](NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000001407045 209743013 /nfs/dbraw/zinc/74/30/13/209743013.db2.gz CYYGRFHGTQAQJW-QGZVFWFLSA-N 0 0 347.436 3.369 50 0 EGAARN CNC(=O)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000001400041 209740046 /nfs/dbraw/zinc/74/00/46/209740046.db2.gz IJBJKMHFWHQYMP-UHFFFAOYSA-N 0 0 345.613 3.216 50 0 EGAARN Cc1nonc1[C@H]1CCCN1c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000039356858 213234305 /nfs/dbraw/zinc/23/43/05/213234305.db2.gz RDRRWBUMDLWLLO-CYBMUJFWSA-N 0 0 340.387 3.288 50 0 EGAARN Ic1cccc(-c2nc(-c3cccnc3)no2)c1 ZINC000000341467 283041038 /nfs/dbraw/zinc/04/10/38/283041038.db2.gz WUFCERKUGVYKEJ-UHFFFAOYSA-N 0 0 349.131 3.403 50 0 EGAARN Cc1ccc(C(=O)Nc2ccccc2I)o1 ZINC000001056529 209704486 /nfs/dbraw/zinc/70/44/86/209704486.db2.gz DXOMFJXECKRYJQ-UHFFFAOYSA-N 0 0 327.121 3.445 50 0 EGAARN O=C(Nc1cccc2nsnc21)c1csc(-n2cccc2)n1 ZINC000038679061 213221059 /nfs/dbraw/zinc/22/10/59/213221059.db2.gz RXRDWOIDLOUORP-UHFFFAOYSA-N 0 0 327.394 3.191 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 ZINC000000892562 209694064 /nfs/dbraw/zinc/69/40/64/209694064.db2.gz KHFGZIASTNBUJF-PXAZEXFGSA-N 0 0 341.363 3.030 50 0 EGAARN COc1ccc(N2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)cc1 ZINC000000810310 209689689 /nfs/dbraw/zinc/68/96/89/209689689.db2.gz NEEPMUYLYPMFEQ-MRXNPFEDSA-N 0 0 342.439 3.055 50 0 EGAARN COc1ccc([C@H]2CCN(C(=O)c3c(C)nc4ccccn43)C2)cc1 ZINC000038566561 213215272 /nfs/dbraw/zinc/21/52/72/213215272.db2.gz GHHRFDZSMKPMJE-INIZCTEOSA-N 0 0 335.407 3.281 50 0 EGAARN CCOc1ccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000578962 209671605 /nfs/dbraw/zinc/67/16/05/209671605.db2.gz OAQMPVIUXIDESO-UHFFFAOYSA-N 0 0 341.363 3.083 50 0 EGAARN Cc1nc(C)c2c(n1)N(Cc1ccc(Br)cc1)C(=O)CC2 ZINC000038422268 213208913 /nfs/dbraw/zinc/20/89/13/213208913.db2.gz RIGIQZIXVFCURM-UHFFFAOYSA-N 0 0 346.228 3.335 50 0 EGAARN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1 ZINC000038148214 213204056 /nfs/dbraw/zinc/20/40/56/213204056.db2.gz ZFWSVVXTUXTQGB-SFHVURJKSA-N 0 0 330.472 3.066 50 0 EGAARN COc1cccc2c(=O)cc(C)n(CC(=O)Nc3cccc(C)c3)c12 ZINC000000547608 209658663 /nfs/dbraw/zinc/65/86/63/209658663.db2.gz VBIMBIPMGOGVJV-UHFFFAOYSA-N 0 0 336.391 3.266 50 0 EGAARN COC(=O)c1cc(Br)c(=O)n(CCC2=CCCCC2)c1 ZINC000000536223 209653690 /nfs/dbraw/zinc/65/36/90/209653690.db2.gz ANUCTJVANGVDSY-UHFFFAOYSA-N 0 0 340.217 3.288 50 0 EGAARN Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccs1 ZINC000000527573 209649205 /nfs/dbraw/zinc/64/92/05/209649205.db2.gz 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/nfs/dbraw/zinc/04/02/61/213040261.db2.gz HCFOWHWLTJUPIY-UHFFFAOYSA-N 0 0 338.392 3.238 50 0 EGAARN COC(=O)/C=C/c1cnc(Br)c(NC(=O)C(C)(C)C)c1 ZINC000035270564 213017178 /nfs/dbraw/zinc/01/71/78/213017178.db2.gz RGHUFWUEXYUPNE-AATRIKPKSA-N 0 0 341.205 3.015 50 0 EGAARN CCSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000071327601 215761066 /nfs/dbraw/zinc/76/10/66/215761066.db2.gz QEAULCZXKLZFOG-UHFFFAOYSA-N 0 0 346.433 3.347 50 0 EGAARN CCc1cnc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)nc1 ZINC000071762265 215817005 /nfs/dbraw/zinc/81/70/05/215817005.db2.gz YBEYLKHGWPUMEL-HNNXBMFYSA-N 0 0 325.412 3.147 50 0 EGAARN COc1cccc(OC)c1-c1noc(Cc2ccc3c(c2)OCO3)n1 ZINC000032590291 212813394 /nfs/dbraw/zinc/81/33/94/212813394.db2.gz ALSICYZMOBNQPU-UHFFFAOYSA-N 0 0 340.335 3.073 50 0 EGAARN CC(C)(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2nonc21 ZINC000032578725 212812483 /nfs/dbraw/zinc/81/24/83/212812483.db2.gz VXAIUXLRYAPQMU-NEPJUHHUSA-N 0 0 337.445 3.106 50 0 EGAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCCCCCC1 ZINC000032096219 212788880 /nfs/dbraw/zinc/78/88/80/212788880.db2.gz KLFOIPCIRDKOEA-INIZCTEOSA-N 0 0 343.427 3.006 50 0 EGAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)o1 ZINC000000415738 209579435 /nfs/dbraw/zinc/57/94/35/209579435.db2.gz YKIPLHWSTPSCAO-LLVKDONJSA-N 0 0 335.404 3.369 50 0 EGAARN CCc1ccccc1OC1CN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000072128869 216019672 /nfs/dbraw/zinc/01/96/72/216019672.db2.gz VPVCWXUVMXMLLU-UHFFFAOYSA-N 0 0 343.423 3.235 50 0 EGAARN CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000072117768 216012802 /nfs/dbraw/zinc/01/28/02/216012802.db2.gz CKJXCGRJVOVQFX-KRWDZBQOSA-N 0 0 349.427 3.039 50 0 EGAARN O=C(CN1CCCC[C@@H]1c1ccccn1)NCc1ccccc1F ZINC000072135518 216025037 /nfs/dbraw/zinc/02/50/37/216025037.db2.gz UZZQMMARHXTKDQ-GOSISDBHSA-N 0 0 327.403 3.064 50 0 EGAARN O=C([O-])c1ccccc1[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000072137270 216025117 /nfs/dbraw/zinc/02/51/17/216025117.db2.gz IKZVSGWWDXNMGV-CYBMUJFWSA-N 0 0 337.379 3.357 50 0 EGAARN Cc1ccc(CNc2nc(-c3ccncc3)nc3c2cnn3C)cc1 ZINC000072145405 216032327 /nfs/dbraw/zinc/03/23/27/216032327.db2.gz WITZSGLBPVVJOQ-UHFFFAOYSA-N 0 0 330.395 3.346 50 0 EGAARN COc1cccc([C@@H]2CCCCN2Cc2cc(=O)c(OC)co2)c1 ZINC000072153699 216041771 /nfs/dbraw/zinc/04/17/71/216041771.db2.gz LDKLVJIYYCSNJY-KRWDZBQOSA-N 0 0 329.396 3.384 50 0 EGAARN COc1ccc(-n2ccnc2[C@H](C)Cc2ccc3c(c2)OCO3)cn1 ZINC000072166361 216055177 /nfs/dbraw/zinc/05/51/77/216055177.db2.gz LEKLGXJRNJXEKQ-CYBMUJFWSA-N 0 0 337.379 3.351 50 0 EGAARN COc1cccc(OCc2nc(COc3ccccc3)no2)c1OC ZINC000072168913 216061034 /nfs/dbraw/zinc/06/10/34/216061034.db2.gz BEGVUMBCYKMVGE-UHFFFAOYSA-N 0 0 342.351 3.245 50 0 EGAARN Cc1cc(C)nc(CNc2cc(-c3ccccc3)nc3ccnn32)n1 ZINC000072168764 216058771 /nfs/dbraw/zinc/05/87/71/216058771.db2.gz NPLOZHXCYZCHJP-UHFFFAOYSA-N 0 0 330.395 3.415 50 0 EGAARN C[C@@H]1CN(C(=O)c2nnsc2-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000072242924 216082631 /nfs/dbraw/zinc/08/26/31/216082631.db2.gz AWLHRIOAUCYTSR-AOOOYVTPSA-N 0 0 337.832 3.108 50 0 EGAARN COc1ccc(OC(=O)COc2ccc(Br)cc2)cc1 ZINC000000302181 209524078 /nfs/dbraw/zinc/52/40/78/209524078.db2.gz MQPBMCHQCGIQKU-UHFFFAOYSA-N 0 0 337.169 3.442 50 0 EGAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2)cc1OC ZINC000000284378 209517309 /nfs/dbraw/zinc/51/73/09/209517309.db2.gz RFTOLOSECVVYHS-PKNBQFBNSA-N 0 0 342.420 3.230 50 0 EGAARN CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OC ZINC000000227467 209497078 /nfs/dbraw/zinc/49/70/78/209497078.db2.gz UFRBJVUOVUFKSO-HNNXBMFYSA-N 0 0 327.380 3.056 50 0 EGAARN CCOc1ccc(CNC(=O)c2c[nH]nc2-c2cccs2)cc1 ZINC000072329447 216153731 /nfs/dbraw/zinc/15/37/31/216153731.db2.gz PAIQLXKBHBZHTF-UHFFFAOYSA-N 0 0 327.409 3.467 50 0 EGAARN O=C(Nc1cccc(Br)c1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000000205508 209483799 /nfs/dbraw/zinc/48/37/99/209483799.db2.gz QUIRBKZGAOVIKG-CQSZACIVSA-N 0 0 346.180 3.169 50 0 aggregator EGAARN COc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(OC)c1 ZINC000000197367 209478059 /nfs/dbraw/zinc/47/80/59/209478059.db2.gz JURRCVVBFPXKAQ-UHFFFAOYSA-N 0 0 325.320 3.063 50 0 EGAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)cc1 ZINC000000152606 209457023 /nfs/dbraw/zinc/45/70/23/209457023.db2.gz LUWVNUOQJJDGGS-CYBMUJFWSA-N 0 0 341.407 3.472 50 0 biogenic EGAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)cc1 ZINC000000152604 209456853 /nfs/dbraw/zinc/45/68/53/209456853.db2.gz LUWVNUOQJJDGGS-ZDUSSCGKSA-N 0 0 341.407 3.472 50 0 biogenic EGAARN COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1Cl ZINC000000161029 209458770 /nfs/dbraw/zinc/45/87/70/209458770.db2.gz OONHSMRZURYOPG-UHFFFAOYSA-N 0 0 328.864 3.092 50 0 EGAARN O=C(Nc1cccnc1-n1cc(Cl)cn1)c1ccc(Cl)nc1 ZINC000072404611 216195988 /nfs/dbraw/zinc/19/59/88/216195988.db2.gz BEXBLOCUFCRFTG-UHFFFAOYSA-N 0 0 334.166 3.221 50 0 EGAARN COc1ccc(OC)c2c1cc(C(=O)NCc1ccc(F)cc1)n2C ZINC000072400952 216193880 /nfs/dbraw/zinc/19/38/80/216193880.db2.gz ZJCBWQMPTSLFSQ-UHFFFAOYSA-N 0 0 342.370 3.265 50 0 EGAARN Cc1nc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc2s1 ZINC000072402290 216194226 /nfs/dbraw/zinc/19/42/26/216194226.db2.gz 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/nfs/dbraw/zinc/04/02/17/218040217.db2.gz QIIIVVMMBPJYPS-UHFFFAOYSA-N 0 0 327.428 3.281 50 0 EGAARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cccc(-n2cnnc2)c1 ZINC000091663976 218043312 /nfs/dbraw/zinc/04/33/12/218043312.db2.gz BIMQXQOMIOTIRR-UHFFFAOYSA-N 0 0 349.369 3.160 50 0 EGAARN CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(CC)cc2)nn1 ZINC000011738947 211242084 /nfs/dbraw/zinc/24/20/84/211242084.db2.gz NKBOLBNBHBDDQA-UHFFFAOYSA-N 0 0 344.440 3.118 50 0 EGAARN CCn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1 ZINC000011738183 211241741 /nfs/dbraw/zinc/24/17/41/211241741.db2.gz PPLGCMFSWHYGHV-UHFFFAOYSA-N 0 0 326.381 3.171 50 0 EGAARN Cc1ccsc1/C=c1/sc2nc3c(cc(C)cc3C)n2c1=O ZINC000000082351 292818631 /nfs/dbraw/zinc/81/86/31/292818631.db2.gz SVLVKMAISRLNAH-RIYZIHGNSA-N 0 0 326.446 3.444 50 0 EGAARN CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)N2Cc3ccccc3C2)C1(C)C ZINC000091819929 218070509 /nfs/dbraw/zinc/07/05/09/218070509.db2.gz BGCPCSPZGZYTJR-OXJNMPFZSA-N 0 0 328.456 3.060 50 0 EGAARN CCCCOCC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C 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CC(=O)c1cccc(NC(=O)CCCn2cnc3ccccc3c2=O)c1 ZINC000005205429 452846272 /nfs/dbraw/zinc/84/62/72/452846272.db2.gz LIMIPBLSJFKDFN-UHFFFAOYSA-N 0 0 349.390 3.018 50 0 EGAARN Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000005194996 452847012 /nfs/dbraw/zinc/84/70/12/452847012.db2.gz QUBVGVAXEJTKMS-HNNXBMFYSA-N 0 0 341.386 3.370 50 0 EGAARN Cc1ccccc1-n1ncc2c3nnc(-c4ccccc4O)n3cnc21 ZINC000005245131 452851449 /nfs/dbraw/zinc/85/14/49/452851449.db2.gz NGOGSVHYBPQPPR-UHFFFAOYSA-N 0 0 342.362 3.144 50 0 EGAARN COc1ccccc1-c1cnn2c1nc(C)cc2NC[C@H]1CCCO1 ZINC000005348580 452863813 /nfs/dbraw/zinc/86/38/13/452863813.db2.gz LWXCCDDPDXDNPP-CQSZACIVSA-N 0 0 338.411 3.304 50 0 EGAARN Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1N1CCCC1=O ZINC000005440757 452872879 /nfs/dbraw/zinc/87/28/79/452872879.db2.gz SLMXCBLOFLBETJ-UHFFFAOYSA-N 0 0 338.363 3.103 50 0 EGAARN Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@H]1CCCO1 ZINC000005482780 452876463 /nfs/dbraw/zinc/87/64/63/452876463.db2.gz YUMFNZUMRLFGOZ-LLVKDONJSA-N 0 0 337.217 3.148 50 0 EGAARN COc1ccc([C@@H](CC(=O)N2CCOCC2)c2ccc(F)cc2)cc1 ZINC000005478436 452877167 /nfs/dbraw/zinc/87/71/67/452877167.db2.gz GNPBHQNFRBPGHG-IBGZPJMESA-N 0 0 343.398 3.215 50 0 EGAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)c1 ZINC000005575059 452886525 /nfs/dbraw/zinc/88/65/25/452886525.db2.gz WHMJMVFLEPKUFD-QGZVFWFLSA-N 0 0 335.359 3.285 50 0 EGAARN COc1ccc(CNC(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000006268050 452928705 /nfs/dbraw/zinc/92/87/05/452928705.db2.gz JSVOBAVEJKUSBC-HDMKZQKVSA-N 0 0 346.471 3.033 50 0 EGAARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000006326292 452934872 /nfs/dbraw/zinc/93/48/72/452934872.db2.gz XLXYDEXPQZLIPF-UHFFFAOYSA-N 0 0 347.831 3.125 50 0 EGAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006348331 452937111 /nfs/dbraw/zinc/93/71/11/452937111.db2.gz PLBKJQUNRXFHRT-UHFFFAOYSA-N 0 0 346.770 3.094 50 0 EGAARN CCS(=O)(=O)Nc1c(C)nn(Cc2c(F)cccc2Cl)c1C ZINC000006502324 452948254 /nfs/dbraw/zinc/94/82/54/452948254.db2.gz MMXHZIDRWIPDEK-UHFFFAOYSA-N 0 0 345.827 3.102 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1F ZINC000006537607 452950342 /nfs/dbraw/zinc/95/03/42/452950342.db2.gz RQBBMEVFSRMTIW-UHFFFAOYSA-N 0 0 331.343 3.247 50 0 EGAARN Cc1ccc(Cl)c(OC(C)(C)C(=O)NCCCn2ccnc2)c1 ZINC000006565312 452954940 /nfs/dbraw/zinc/95/49/40/452954940.db2.gz ACLHGVZPYIFIBU-UHFFFAOYSA-N 0 0 335.835 3.209 50 0 EGAARN CCc1sc(C(=O)NCc2ccncc2)cc1Br ZINC000006570391 452957384 /nfs/dbraw/zinc/95/73/84/452957384.db2.gz BXEBUNYFMWACAO-UHFFFAOYSA-N 0 0 325.231 3.398 50 0 EGAARN CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000006697932 452968936 /nfs/dbraw/zinc/96/89/36/452968936.db2.gz FXRMEXHRLWFUDJ-UHFFFAOYSA-N 0 0 337.379 3.408 50 0 EGAARN Cc1ccc(-c2noc(CNC(=O)CSc3ccccc3)n2)cc1 ZINC000006697283 452970212 /nfs/dbraw/zinc/97/02/12/452970212.db2.gz WBSPZIOVUKYBLP-UHFFFAOYSA-N 0 0 339.420 3.454 50 0 EGAARN CC[C@H](C)[C@H](N)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000006707325 452975955 /nfs/dbraw/zinc/97/59/55/452975955.db2.gz 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CC1CCN(C(=O)/C(=C\c2ccc(F)cc2)n2ccccc2=O)CC1 ZINC000012628438 453385544 /nfs/dbraw/zinc/38/55/44/453385544.db2.gz HNFYAXQPMPCYLT-NBVRZTHBSA-N 0 0 340.398 3.244 50 0 EGAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(Cl)cc3)nc2n1 ZINC000012844911 453415827 /nfs/dbraw/zinc/41/58/27/453415827.db2.gz HCVICPQDJMOCTL-UHFFFAOYSA-N 0 0 337.717 3.276 50 0 EGAARN COc1ccc(/C=C/c2nc(N)nc3nc4ccccc4n32)cc1OC ZINC000012949871 453430217 /nfs/dbraw/zinc/43/02/17/453430217.db2.gz UMQUAWQMMJIBMT-CSKARUKUSA-N 0 0 347.378 3.047 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000013325047 453457799 /nfs/dbraw/zinc/45/77/99/453457799.db2.gz HWNVEVKSAKZIGO-UHFFFAOYSA-N 0 0 344.846 3.393 50 0 EGAARN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013327534 453459156 /nfs/dbraw/zinc/45/91/56/453459156.db2.gz XUMDBBWJKDWRMW-INIZCTEOSA-N 0 0 343.379 3.263 50 0 EGAARN Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3C)CC2)cc1 ZINC000013329819 453459812 /nfs/dbraw/zinc/45/98/12/453459812.db2.gz QPRXSGSKPVAZDS-SFHVURJKSA-N 0 0 338.451 3.420 50 0 EGAARN COc1cc(NC(=S)Nc2ncccc2C)cc(OC)c1OC ZINC000013521108 453466437 /nfs/dbraw/zinc/46/64/37/453466437.db2.gz BFWOPLVMLJOPMO-UHFFFAOYSA-N 0 0 333.413 3.225 50 0 EGAARN COc1cccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)c1 ZINC000013549709 453470335 /nfs/dbraw/zinc/47/03/35/453470335.db2.gz KVZUNBPAVQZTCB-PTNGSMBKSA-N 0 0 332.425 3.175 50 0 EGAARN Cc1ccc(C)c(N2C(=O)C[C@H](Sc3cccc(N)c3)C2=O)c1 ZINC000013576182 453473256 /nfs/dbraw/zinc/47/32/56/453473256.db2.gz DIRXYTGVOKSKQR-INIZCTEOSA-N 0 0 326.421 3.310 50 0 EGAARN CN(C)c1ccc(NC(=O)c2cnn3c2nccc3-c2ccco2)cc1 ZINC000013644592 453476223 /nfs/dbraw/zinc/47/62/23/453476223.db2.gz UDINBUZXGCNKMM-UHFFFAOYSA-N 0 0 347.378 3.308 50 0 EGAARN CCS(=O)(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000013648190 453478775 /nfs/dbraw/zinc/47/87/75/453478775.db2.gz BLTVNJVQNPPKPN-CYBMUJFWSA-N 0 0 344.436 3.040 50 0 EGAARN O=C1c2ccccc2N(CCOc2cccc(Cl)c2)C2=NCCN21 ZINC000013684306 453479835 /nfs/dbraw/zinc/47/98/35/453479835.db2.gz 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/nfs/dbraw/zinc/52/12/77/453521277.db2.gz YSDFMQAOJRKORS-UHFFFAOYSA-N 0 0 348.255 3.227 50 0 EGAARN COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1 ZINC000014903962 453547417 /nfs/dbraw/zinc/54/74/17/453547417.db2.gz JNQHCSGEFHHRMN-YBEGLDIGSA-N 0 0 340.404 3.413 50 0 EGAARN CC(=O)N1CCc2ccc(NC(=O)CCc3ccc(C)cc3)cc2C1 ZINC000014974795 453549602 /nfs/dbraw/zinc/54/96/02/453549602.db2.gz YUGDNTKCARDGTK-UHFFFAOYSA-N 0 0 336.435 3.471 50 0 EGAARN Fc1ccc(Cc2noc(-c3ccc(N4CCCO4)nc3)n2)cc1 ZINC000015066184 453553210 /nfs/dbraw/zinc/55/32/10/453553210.db2.gz LQSNCZXFEWZMHT-UHFFFAOYSA-N 0 0 326.331 3.003 50 0 EGAARN O=C(c1cc[n+]([O-])cc1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000015077006 453554266 /nfs/dbraw/zinc/55/42/66/453554266.db2.gz RYSFYJPGWMMILA-HNNXBMFYSA-N 0 0 346.377 3.083 50 0 EGAARN CCOC(=O)c1c(NC(=O)NCc2ccco2)sc2c1CCC2 ZINC000015083519 453555625 /nfs/dbraw/zinc/55/56/25/453555625.db2.gz JBAGEDJNCUXGPA-UHFFFAOYSA-N 0 0 334.397 3.328 50 0 EGAARN COc1cccc(CCC(=O)Nc2ccc3ncn(C)c3c2)c1OC 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/nfs/dbraw/zinc/22/27/29/454222729.db2.gz HJGIDLUSGOTULP-UHFFFAOYSA-N 0 0 344.488 3.411 50 0 EGAARN CC(C)c1nccn1[C@@H](C)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000095502323 454222781 /nfs/dbraw/zinc/22/27/81/454222781.db2.gz TVUUTDONVWQNPQ-ZDUSSCGKSA-N 0 0 341.459 3.143 50 0 EGAARN CC(C)n1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 ZINC000095504339 454223734 /nfs/dbraw/zinc/22/37/34/454223734.db2.gz GEJPVKGWJIJQPX-HNNXBMFYSA-N 0 0 345.418 3.257 50 0 EGAARN CC(C)c1cc(CN(C)C(=O)Nc2ccc3c(c2)OCCO3)no1 ZINC000095503628 454223819 /nfs/dbraw/zinc/22/38/19/454223819.db2.gz OIQYDBHYQYRWON-UHFFFAOYSA-N 0 0 331.372 3.233 50 0 EGAARN CC(C)c1nccn1[C@@H](C)C(=O)NCc1c[nH]nc1-c1cccs1 ZINC000095509210 454225391 /nfs/dbraw/zinc/22/53/91/454225391.db2.gz BFJKNDPNNINDAQ-LBPRGKRZSA-N 0 0 343.456 3.336 50 0 EGAARN CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](C)n2ccnc2)c1 ZINC000095522521 454228154 /nfs/dbraw/zinc/22/81/54/454228154.db2.gz OTDLXNDKKAIRQN-CYBMUJFWSA-N 0 0 329.404 3.004 50 0 EGAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)no2)cc1 ZINC000096105646 454283621 /nfs/dbraw/zinc/28/36/21/454283621.db2.gz DMXCFPDGKOVQBG-UHFFFAOYSA-N 0 0 348.406 3.007 50 0 EGAARN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000096120124 454288825 /nfs/dbraw/zinc/28/88/25/454288825.db2.gz QGRRPYRULCRTFS-KRWDZBQOSA-N 0 0 345.464 3.268 50 0 EGAARN CCc1nc2cc(NC(=O)NCCc3ccncc3)ccc2n1CC ZINC000096133672 454290790 /nfs/dbraw/zinc/29/07/90/454290790.db2.gz HKVGENZBDBQMSS-UHFFFAOYSA-N 0 0 337.427 3.378 50 0 EGAARN Cc1cccnc1[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000096137232 454291554 /nfs/dbraw/zinc/29/15/54/454291554.db2.gz YSUTWGLHXXZBKE-FQEVSTJZSA-N 0 0 349.434 3.398 50 0 EGAARN CCCOc1c(Cl)cccc1NC(=O)N[C@H](C)c1nnc(C)[nH]1 ZINC000096137606 454291736 /nfs/dbraw/zinc/29/17/36/454291736.db2.gz KSVPMZYBIQNHIJ-SECBINFHSA-N 0 0 337.811 3.438 50 0 EGAARN Cc1nc(CCNc2nccc(-c3ccccn3)n2)nc2c1CCCC2 ZINC000096141082 454292989 /nfs/dbraw/zinc/29/29/89/454292989.db2.gz MYEIMEPXDOAGAY-UHFFFAOYSA-N 0 0 346.438 3.170 50 0 EGAARN CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000046902426 454298982 /nfs/dbraw/zinc/29/89/82/454298982.db2.gz JCMRLHYINFXTNG-UHFFFAOYSA-N 0 0 337.395 3.347 50 0 EGAARN O=C(c1cccc(Cl)c1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096365480 454319677 /nfs/dbraw/zinc/31/96/77/454319677.db2.gz YSPHJZLZRJJZJD-MRXNPFEDSA-N 0 0 349.839 3.028 50 0 EGAARN COc1cccc([C@H](CNC(=O)NCc2ccc(F)cc2)OC)c1 ZINC000096390653 454321620 /nfs/dbraw/zinc/32/16/20/454321620.db2.gz SXVBZFXVWFOMKX-KRWDZBQOSA-N 0 0 332.375 3.021 50 0 EGAARN C(=C/c1nn2c(CN3CCCCCC3)nnc2s1)\c1ccco1 ZINC000061718025 454352138 /nfs/dbraw/zinc/35/21/38/454352138.db2.gz QSBPUJSNBQXFHG-BQYQJAHWSA-N 0 0 329.429 3.325 50 0 EGAARN Cn1ccc2c1cccc2NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000061717641 454352332 /nfs/dbraw/zinc/35/23/32/454352332.db2.gz XTHKFVNUDZLNDO-CQSZACIVSA-N 0 0 333.391 3.170 50 0 EGAARN O=C(NC[C@H]1CCOc2ccccc2C1)c1ccc2nccnc2c1 ZINC000097076527 454399817 /nfs/dbraw/zinc/39/98/17/454399817.db2.gz 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ZINC000091656948 454454308 /nfs/dbraw/zinc/45/43/08/454454308.db2.gz XINFKTJIGVQUTQ-KRWDZBQOSA-N 0 0 338.411 3.011 50 0 EGAARN CCCCc1cn(CC2CCN(C(=O)C3CCCCC3)CC2)nn1 ZINC000048187619 454454907 /nfs/dbraw/zinc/45/49/07/454454907.db2.gz LKMYMWVQXQFIIP-UHFFFAOYSA-N 0 0 332.492 3.440 50 0 EGAARN Cc1ccccc1-n1cc(-c2ccnc(N[C@@H](CO)C(C)C)n2)cn1 ZINC000048422412 454487985 /nfs/dbraw/zinc/48/79/85/454487985.db2.gz GWTXCZUERQQZQW-KRWDZBQOSA-N 0 0 337.427 3.067 50 0 EGAARN CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccccc1 ZINC000102453309 454506176 /nfs/dbraw/zinc/50/61/76/454506176.db2.gz VDEIXYMRUQPRNE-CYBMUJFWSA-N 0 0 336.395 3.202 50 0 EGAARN CC(C)CCN1C[C@]2(CCCN(C(=O)NC(C)(C)C)C2)CCC1=O ZINC000092082093 454519819 /nfs/dbraw/zinc/51/98/19/454519819.db2.gz PFIOQALUGQTBIE-IBGZPJMESA-N 0 0 337.508 3.245 50 0 EGAARN COc1ccccc1-c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000049060273 454530876 /nfs/dbraw/zinc/53/08/76/454530876.db2.gz BOGILOUKYMQOOL-CYBMUJFWSA-N 0 0 335.363 3.266 50 0 EGAARN CCc1nc(C)sc1CNC(=O)[C@H](c1ccccc1F)N(C)C ZINC000065380267 454555799 /nfs/dbraw/zinc/55/57/99/454555799.db2.gz DERZNBJTNIRUHS-INIZCTEOSA-N 0 0 335.448 3.072 50 0 EGAARN COc1ccc(CN(C)C(=O)C[C@@H]2CCc3ccccc32)cc1O ZINC000065375086 454556206 /nfs/dbraw/zinc/55/62/06/454556206.db2.gz BXFDFQUMRSHWLN-INIZCTEOSA-N 0 0 325.408 3.479 50 0 EGAARN C[C@](O)(c1nc(C2CC2)nn1-c1cccc2cccnc21)C(F)(F)F ZINC000065381273 454556388 /nfs/dbraw/zinc/55/63/88/454556388.db2.gz ZGVOUIZKJUJUNN-INIZCTEOSA-N 0 0 348.328 3.463 50 0 EGAARN CCCn1ccnc1[C@@H]1CC(=O)Nc2c1c(C)nn2CCC(C)C ZINC000065382085 454556606 /nfs/dbraw/zinc/55/66/06/454556606.db2.gz JTKJHLBMIMIHNK-CQSZACIVSA-N 0 0 329.448 3.318 50 0 EGAARN CC[C@H](Nc1cccc(OC)c1)C(=O)NCCSc1ccccn1 ZINC000065398814 454560526 /nfs/dbraw/zinc/56/05/26/454560526.db2.gz DQZKKEWIYCTUTK-INIZCTEOSA-N 0 0 345.468 3.189 50 0 EGAARN CN(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1 ZINC000065408968 454561945 /nfs/dbraw/zinc/56/19/45/454561945.db2.gz LKRFJONVMQSWPS-MRXNPFEDSA-N 0 0 336.395 3.065 50 0 EGAARN Cc1cc(C)cc(NC(=O)CC(=O)N(C)CCC[C@@H]2CCCO2)c1 ZINC000065435777 454567515 /nfs/dbraw/zinc/56/75/15/454567515.db2.gz BDZCEFLAHXXNSE-QGZVFWFLSA-N 0 0 332.444 3.050 50 0 EGAARN Cc1csc([C@@H]2CN(Cc3nnc(-c4ccccc4)o3)CCO2)n1 ZINC000065458718 454570628 /nfs/dbraw/zinc/57/06/28/454570628.db2.gz ZZEYVRJOYKKCQM-AWEZNQCLSA-N 0 0 342.424 3.075 50 0 EGAARN COc1ccc(Cl)cc1-n1nc(C2CC2)nc1-c1ccnnc1 ZINC000065489533 454576375 /nfs/dbraw/zinc/57/63/75/454576375.db2.gz JAJCUNLQXAKURS-UHFFFAOYSA-N 0 0 327.775 3.264 50 0 EGAARN Cc1ccc(NC(=O)CC(=O)NCCc2csc(C(C)C)n2)cc1 ZINC000065494280 454576794 /nfs/dbraw/zinc/57/67/94/454576794.db2.gz TZUPGOUGQYRUEV-UHFFFAOYSA-N 0 0 345.468 3.262 50 0 EGAARN Cc1cc([C@H]2CCCN2CC(=O)N2CCCc3cc(C)ccc32)on1 ZINC000065493410 454577471 /nfs/dbraw/zinc/57/74/71/454577471.db2.gz QVQFZIXFXCDYIH-GOSISDBHSA-N 0 0 339.439 3.408 50 0 EGAARN COc1cc2c(cc1OC)CN(C(=O)CCn1c(C)ccc1C)CC2 ZINC000074694480 454621627 /nfs/dbraw/zinc/62/16/27/454621627.db2.gz GSLSPOWPAYWCPL-UHFFFAOYSA-N 0 0 342.439 3.097 50 0 biogenic EGAARN CC(=O)Nc1ccc(F)c(C(=O)N(c2nc(C)cs2)C2CC2)c1 ZINC000151021431 454926094 /nfs/dbraw/zinc/92/60/94/454926094.db2.gz STPQRJKONSYKQF-UHFFFAOYSA-N 0 0 333.388 3.358 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000113928988 454938779 /nfs/dbraw/zinc/93/87/79/454938779.db2.gz YVLGCHHVLYZFGT-LBPRGKRZSA-N 0 0 325.364 3.439 50 0 EGAARN COc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1Cl ZINC000170623931 454944248 /nfs/dbraw/zinc/94/42/48/454944248.db2.gz XRRSNFORHCGXGT-UHFFFAOYSA-N 0 0 346.235 3.481 50 0 EGAARN O=C(Cc1cccc2ccccc21)N[C@H]1CCN(c2ccccn2)C1 ZINC000152357198 455107189 /nfs/dbraw/zinc/10/71/89/455107189.db2.gz XMDACMGHELMVQI-SFHVURJKSA-N 0 0 331.419 3.172 50 0 EGAARN Cc1nc2ccccc2n1CCC(=O)N[C@H]1COC2(C1)CCCCC2 ZINC000252486640 455810235 /nfs/dbraw/zinc/81/02/35/455810235.db2.gz HNIISEZXCMRHHE-MRXNPFEDSA-N 0 0 341.455 3.343 50 0 EGAARN Cn1ccc2cc([C@H](O)CNC(=O)c3c(F)cccc3Cl)ccc21 ZINC000252494301 455812931 /nfs/dbraw/zinc/81/29/31/455812931.db2.gz NRKJNQMMVIJVSF-MRXNPFEDSA-N 0 0 346.789 3.434 50 0 EGAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000252536644 455820261 /nfs/dbraw/zinc/82/02/61/455820261.db2.gz JAZWSKDHASGSIV-XOBRGWDASA-N 0 0 349.434 3.434 50 0 EGAARN COC(=O)C[C@@H](c1ccsc1)c1oc2ccccc2c(=O)c1O ZINC000253401324 455839892 /nfs/dbraw/zinc/83/98/92/455839892.db2.gz FNJTYLJVYHKHTN-LBPRGKRZSA-N 0 0 330.361 3.255 50 0 biogenic EGAARN CC(C)C[C@H](C(=O)Nc1ccc(Cn2cncn2)cc1)n1cccc1 ZINC000253414657 455841520 /nfs/dbraw/zinc/84/15/20/455841520.db2.gz YCVCPWBAYHLXMZ-GOSISDBHSA-N 0 0 337.427 3.354 50 0 EGAARN CCc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000253473406 455849749 /nfs/dbraw/zinc/84/97/49/455849749.db2.gz UUAYRAWEBYNSRP-INIZCTEOSA-N 0 0 326.396 3.454 50 0 EGAARN Cc1noc([C@H]2CCCCN2Cc2nccn2Cc2ccccc2)n1 ZINC000285806832 455921000 /nfs/dbraw/zinc/92/10/00/455921000.db2.gz VQKMSBLYAMZLGM-QGZVFWFLSA-N 0 0 337.427 3.350 50 0 EGAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000195415546 455957586 /nfs/dbraw/zinc/95/75/86/455957586.db2.gz BTCIWIVOMHHMCC-UHFFFAOYSA-N 0 0 344.455 3.235 50 0 EGAARN Cn1cc(C(=O)NCc2nncn2C2CCCCC2)c2ccccc21 ZINC000220296626 456038516 /nfs/dbraw/zinc/03/85/16/456038516.db2.gz QTDUBFBAYMJPKB-UHFFFAOYSA-N 0 0 337.427 3.205 50 0 EGAARN CCOc1cccc(C(=O)N[C@@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c1 ZINC000222332495 456046215 /nfs/dbraw/zinc/04/62/15/456046215.db2.gz ILWZKSBWLBSDMB-RDGPPVDQSA-N 0 0 329.440 3.409 50 0 EGAARN CCOc1cccc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000222716963 456049500 /nfs/dbraw/zinc/04/95/00/456049500.db2.gz CXVWRJKWJKQCOU-OAHLLOKOSA-N 0 0 342.414 3.481 50 0 EGAARN C[C@H](Cc1cnccn1)N(C)C(=O)CSCc1ccccc1Cl ZINC000223413033 456056513 /nfs/dbraw/zinc/05/65/13/456056513.db2.gz AEOQFLINYVPWTG-CYBMUJFWSA-N 0 0 349.887 3.453 50 0 EGAARN COc1cc(F)c(C(=O)NCc2nc3c(ccc(C)c3C)[nH]2)c(F)c1 ZINC000223463094 456057602 /nfs/dbraw/zinc/05/76/02/456057602.db2.gz 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343.402 3.236 50 0 EGAARN CC[C@@H]1CN(Cc2nc(-c3cc(OC)ccc3OC)oc2C)CCO1 ZINC000071758862 454215108 /nfs/dbraw/zinc/21/51/08/454215108.db2.gz BTBLHCONTZGQLJ-CQSZACIVSA-N 0 0 346.427 3.278 50 0 EGAARN Cn1ccc2cc(C(=O)Nc3n[nH]c(Cc4ccc(F)cc4)n3)ccc21 ZINC000095475130 454219938 /nfs/dbraw/zinc/21/99/38/454219938.db2.gz WXVJEVQQEBZTFH-UHFFFAOYSA-N 0 0 349.369 3.279 50 0 EGAARN C[C@@H](C(=O)Nc1cnn(C)c1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095477578 454219980 /nfs/dbraw/zinc/21/99/80/454219980.db2.gz CAZQMHYTEPLIIV-CJNGLKHVSA-N 0 0 325.412 3.074 50 0 EGAARN O=C(CCn1ccc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000095479574 454221277 /nfs/dbraw/zinc/22/12/77/454221277.db2.gz VIUDVFAEWYQYOL-OXQOHEQNSA-N 0 0 344.430 3.324 50 0 EGAARN C[C@@H](O)c1cccc(N2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000095499617 454222750 /nfs/dbraw/zinc/22/27/50/454222750.db2.gz SJCDTBLXGIZUER-CYBMUJFWSA-N 0 0 340.452 3.071 50 0 EGAARN Cc1nnc(SCCCNc2nc3c(s2)c(C)nn3C)s1 ZINC000095503572 454224215 /nfs/dbraw/zinc/22/42/15/454224215.db2.gz HBKZEUDPYSPJIA-UHFFFAOYSA-N 0 0 340.503 3.092 50 0 EGAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nccs1 ZINC000095509321 454225540 /nfs/dbraw/zinc/22/55/40/454225540.db2.gz RVIRRMYRYRXTJN-GFCCVEGCSA-N 0 0 331.397 3.283 50 0 EGAARN CC(C)c1nccn1[C@@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000095531482 454228650 /nfs/dbraw/zinc/22/86/50/454228650.db2.gz RTDPZGGTIGDDKE-ZDUSSCGKSA-N 0 0 331.464 3.247 50 0 EGAARN O=C(c1cnc2ccccc2n1)N(Cc1ccco1)C1CCOCC1 ZINC000096097108 454281104 /nfs/dbraw/zinc/28/11/04/454281104.db2.gz FIDBZNBXQFCHQN-UHFFFAOYSA-N 0 0 337.379 3.044 50 0 EGAARN COC(=O)N1CCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2C1 ZINC000096096253 454281232 /nfs/dbraw/zinc/28/12/32/454281232.db2.gz LHUXMJONFAKQDQ-UHFFFAOYSA-N 0 0 346.333 3.342 50 0 EGAARN Cc1cc(C)n2cc(CN3CCC[C@H]3c3noc(C(C)C)n3)nc2n1 ZINC000072279392 454281744 /nfs/dbraw/zinc/28/17/44/454281744.db2.gz LGOIGKIJHSUZIN-HNNXBMFYSA-N 0 0 340.431 3.190 50 0 EGAARN CO[C@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1C ZINC000096105065 454283611 /nfs/dbraw/zinc/28/36/11/454283611.db2.gz FTIGKDRNUVGPBO-QGZVFWFLSA-N 0 0 333.453 3.278 50 0 EGAARN COc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 ZINC000096118345 454286572 /nfs/dbraw/zinc/28/65/72/454286572.db2.gz INUWORVNQAKGIY-UHFFFAOYSA-N 0 0 335.363 3.273 50 0 EGAARN O=C(NCc1cccs1)[C@H]1CCCN1c1nc2ccccc2o1 ZINC000096122559 454288555 /nfs/dbraw/zinc/28/85/55/454288555.db2.gz RZXBZGWQZFUNOZ-CQSZACIVSA-N 0 0 327.409 3.175 50 0 EGAARN O=C(NCCc1cccs1)[C@H]1CCCN1c1nc2ccccc2o1 ZINC000096122561 454288590 /nfs/dbraw/zinc/28/85/90/454288590.db2.gz WVMBGZNURRNPBN-OAHLLOKOSA-N 0 0 341.436 3.217 50 0 EGAARN COc1ccc(C2(CNC(=O)/C=C/c3ccoc3)CCOCC2)cc1 ZINC000096120230 454288747 /nfs/dbraw/zinc/28/87/47/454288747.db2.gz XAFJYWSMRVMZLU-FARCUNLSSA-N 0 0 341.407 3.166 50 0 EGAARN CCCCn1nc(C)nc1C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000096139325 454291405 /nfs/dbraw/zinc/29/14/05/454291405.db2.gz VKHKDMHEVSTOSY-CCZBSFLLSA-N 0 0 340.475 3.225 50 0 EGAARN COc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(C)=O)cc1 ZINC000096137013 454291964 /nfs/dbraw/zinc/29/19/64/454291964.db2.gz CYUGNGMIBYOVTL-KRWDZBQOSA-N 0 0 338.363 3.122 50 0 EGAARN COc1ccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)cc1OC ZINC000096151174 454293767 /nfs/dbraw/zinc/29/37/67/454293767.db2.gz FRACDVWUOWIGOD-CYBMUJFWSA-N 0 0 344.411 3.451 50 0 EGAARN CCCCn1nc(-c2c[nH]c3ccccc23)nc1CCc1nncn1C ZINC000096150941 454294179 /nfs/dbraw/zinc/29/41/79/454294179.db2.gz KRRRUIXMXPHXHW-UHFFFAOYSA-N 0 0 349.442 3.140 50 0 EGAARN COCCN(CCOC)C(=O)Nc1cccc2c3c(oc21)CCCC3 ZINC000096163351 454295771 /nfs/dbraw/zinc/29/57/71/454295771.db2.gz HVSWODGKMODPRL-UHFFFAOYSA-N 0 0 346.427 3.438 50 0 EGAARN CCn1c2ccccc2nc1SCCc1nc([C@H]2CCOC2)no1 ZINC000096163230 454295894 /nfs/dbraw/zinc/29/58/94/454295894.db2.gz ZOTINQXXSLPAOO-LBPRGKRZSA-N 0 0 344.440 3.278 50 0 EGAARN COc1cccc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000046902550 454299372 /nfs/dbraw/zinc/29/93/72/454299372.db2.gz JKVKNQIMUDWVFT-UHFFFAOYSA-N 0 0 349.431 3.216 50 0 EGAARN Cc1ccccc1NC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096365963 454319567 /nfs/dbraw/zinc/31/95/67/454319567.db2.gz PKTRUOTVXBAUCG-MRXNPFEDSA-N 0 0 344.436 3.075 50 0 EGAARN COC(=O)c1cc(NC(=O)[C@@H](C)c2ccccc2)cc(C(=O)OC)c1 ZINC000096319160 454319728 /nfs/dbraw/zinc/31/97/28/454319728.db2.gz GHAUGCRFXCMKKL-LBPRGKRZSA-N 0 0 341.363 3.002 50 0 EGAARN COc1ccccc1[C@@H](CNC(=O)CSCc1ccccc1)OC ZINC000096384607 454320205 /nfs/dbraw/zinc/32/02/05/454320205.db2.gz ZLNCQETVZCHTDN-GOSISDBHSA-N 0 0 345.464 3.432 50 0 EGAARN Fc1c(Cl)cccc1-c1nnc2sc(-c3csnn3)nn21 ZINC000061720064 454352503 /nfs/dbraw/zinc/35/25/03/454352503.db2.gz JIFOMTDWBRBUOK-UHFFFAOYSA-N 0 0 338.780 3.164 50 0 EGAARN O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)Cc1ccccn1 ZINC000062018013 454364844 /nfs/dbraw/zinc/36/48/44/454364844.db2.gz CIRLRTYYGOHZMQ-UHFFFAOYSA-N 0 0 336.347 3.246 50 0 EGAARN O=C(NCc1cccs1)C1CN(c2nc3ccccc3s2)C1 ZINC000062023096 454366200 /nfs/dbraw/zinc/36/62/00/454366200.db2.gz HRXFWNHAZYAOGD-UHFFFAOYSA-N 0 0 329.450 3.110 50 0 EGAARN CC(C)Cc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)on1 ZINC000091254353 454419524 /nfs/dbraw/zinc/41/95/24/454419524.db2.gz KGBXFBIRNYQLNX-CYBMUJFWSA-N 0 0 327.306 3.302 50 0 EGAARN Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C2 ZINC000097199023 454422130 /nfs/dbraw/zinc/42/21/30/454422130.db2.gz DFESTRMLCSSCPB-NWANDNLSSA-N 0 0 329.831 3.080 50 0 EGAARN Cc1[nH]nc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)c1Cl ZINC000097213167 454425130 /nfs/dbraw/zinc/42/51/30/454425130.db2.gz HASJCVSQVOLIOG-CQSZACIVSA-N 0 0 343.818 3.129 50 0 EGAARN O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@H]1c1cccnc1 ZINC000091351267 454430431 /nfs/dbraw/zinc/43/04/31/454430431.db2.gz KWNNUXJFNMAHAJ-SFHVURJKSA-N 0 0 334.379 3.155 50 0 EGAARN Cc1cc(C)n(S(=O)(=O)c2cc(C)c(C)cc2Br)n1 ZINC000048044557 454434116 /nfs/dbraw/zinc/43/41/16/454434116.db2.gz ISGPZAVZKCOHFC-UHFFFAOYSA-N 0 0 343.246 3.116 50 0 EGAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)NCC1(Cn2ccnc2C)CC1 ZINC000097492619 454438854 /nfs/dbraw/zinc/43/88/54/454438854.db2.gz TZVDKWJSCFPKQE-UHFFFAOYSA-N 0 0 349.438 3.100 50 0 EGAARN CCc1nc(C)c(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)o1 ZINC000097813669 454446001 /nfs/dbraw/zinc/44/60/01/454446001.db2.gz YAWYDXDDWJZACZ-AWEZNQCLSA-N 0 0 334.441 3.428 50 0 EGAARN Cc1cc(C)c(C)c(C(=O)NCc2nnc3n2CCCCC3)c1C ZINC000063883996 454457688 /nfs/dbraw/zinc/45/76/88/454457688.db2.gz YEQADHPZONLOIK-UHFFFAOYSA-N 0 0 326.444 3.168 50 0 EGAARN CN=[S@](=O)(C[C@@]1(O)CCC[C@]12CCCS2)c1ccccc1 ZINC000101083507 454469137 /nfs/dbraw/zinc/46/91/37/454469137.db2.gz ATHPEIKIHCNXPS-QYWGDWMGSA-N 0 0 325.499 3.324 50 0 EGAARN CN(C)c1nn(CC(=O)NC2CCCCC2)cc1-c1ccccc1 ZINC000049006553 454527548 /nfs/dbraw/zinc/52/75/48/454527548.db2.gz TYSIBUWHXFUUJE-UHFFFAOYSA-N 0 0 326.444 3.065 50 0 EGAARN CCCC[C@H]1C=CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2 ZINC000065375910 454556708 /nfs/dbraw/zinc/55/67/08/454556708.db2.gz OCGNGNHHNYOWAX-INIZCTEOSA-N 0 0 330.476 3.068 50 0 EGAARN CCc1cc(-n2c(CCCO)nc3ccccc32)ccc1NC(C)=O ZINC000065376637 454556767 /nfs/dbraw/zinc/55/67/67/454556767.db2.gz QMJYUAALBBMEHY-UHFFFAOYSA-N 0 0 337.423 3.471 50 0 EGAARN Cc1nc(CCNC(=O)[C@@H](C)n2cnc3ccccc32)sc1C ZINC000065385631 454557938 /nfs/dbraw/zinc/55/79/38/454557938.db2.gz SKJMEDHTRMGJBB-GFCCVEGCSA-N 0 0 328.441 3.030 50 0 EGAARN COc1ccc(CN[C@H](C)C(=O)Nc2ccc(C)cc2)c(F)c1F ZINC000065404500 454560235 /nfs/dbraw/zinc/56/02/35/454560235.db2.gz QARAGISFTOFDBN-GFCCVEGCSA-N 0 0 334.366 3.399 50 0 EGAARN Cc1cccc(OCCN2CCCN(C(=O)c3ccco3)CC2)c1C ZINC000065398877 454560408 /nfs/dbraw/zinc/56/04/08/454560408.db2.gz YLNRNQWZJOAXOI-UHFFFAOYSA-N 0 0 342.439 3.123 50 0 EGAARN Cc1cc(C)n(CC[C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)n1 ZINC000065406780 454561178 /nfs/dbraw/zinc/56/11/78/454561178.db2.gz UWZZHSSZCVACAV-HNNXBMFYSA-N 0 0 335.411 3.406 50 0 EGAARN OCCCc1nc2ccccc2n1-c1ccc(O)c(-c2ccno2)c1 ZINC000065408465 454562041 /nfs/dbraw/zinc/56/20/41/454562041.db2.gz KGNZCJXVFWJWHF-UHFFFAOYSA-N 0 0 335.363 3.311 50 0 EGAARN O=C([O-])c1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)cc1 ZINC000065418992 454563903 /nfs/dbraw/zinc/56/39/03/454563903.db2.gz KSOVGOAPDQYUFE-UHFFFAOYSA-N 0 0 347.418 3.255 50 0 EGAARN C[C@@H](NC(=O)c1ccc2c(c1)CCCO2)c1cn2ccsc2n1 ZINC000065428875 454566609 /nfs/dbraw/zinc/56/66/09/454566609.db2.gz BHGIYLWDRHBLEG-LLVKDONJSA-N 0 0 327.409 3.212 50 0 EGAARN CCCCC(=O)Nc1cccc(C(=O)N[C@H](CC)c2cnn(C)c2)c1 ZINC000065460293 454570101 /nfs/dbraw/zinc/57/01/01/454570101.db2.gz ODBOGNIVTRNKFW-QGZVFWFLSA-N 0 0 342.443 3.430 50 0 EGAARN Cc1nc([C@H]2Cc3cc(C)ccc3N2)n(-c2ccc3c(c2)OCO3)n1 ZINC000065460736 454570745 /nfs/dbraw/zinc/57/07/45/454570745.db2.gz QPNCXZIGDQKGDO-MRXNPFEDSA-N 0 0 334.379 3.322 50 0 EGAARN Nc1cc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)ccn1 ZINC000065454937 454570820 /nfs/dbraw/zinc/57/08/20/454570820.db2.gz MCSUVNNXARDGPE-FQEVSTJZSA-N 0 0 335.407 3.135 50 0 EGAARN CCCc1cnc(C)nc1N1CCN(Cc2ccc(CC)cn2)CC1 ZINC000065488311 454575752 /nfs/dbraw/zinc/57/57/52/454575752.db2.gz ODOZAQVBNDNGMU-UHFFFAOYSA-N 0 0 339.487 3.017 50 0 EGAARN Cc1c(F)cccc1NC(=O)CN[C@H](c1ccccn1)C(F)(F)F ZINC000065496572 454578700 /nfs/dbraw/zinc/57/87/00/454578700.db2.gz VQSCODBPUVDLFA-OAHLLOKOSA-N 0 0 341.308 3.361 50 0 EGAARN Cc1cnn(CCC(=O)N(C)CCCOc2cccc(Cl)c2)c1 ZINC000080443176 454582297 /nfs/dbraw/zinc/58/22/97/454582297.db2.gz BVJWBBBLSYEAKV-UHFFFAOYSA-N 0 0 335.835 3.163 50 0 EGAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCOCC1 ZINC000169681408 454930589 /nfs/dbraw/zinc/93/05/89/454930589.db2.gz RDQJDHXDNBTKBR-HNNXBMFYSA-N 0 0 346.471 3.036 50 0 EGAARN O=C(C1CC1)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000169754713 454930925 /nfs/dbraw/zinc/93/09/25/454930925.db2.gz DJSVHSDAMWRTIA-UHFFFAOYSA-N 0 0 329.375 3.067 50 0 EGAARN O=C(N[C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccs1 ZINC000169755692 454930942 /nfs/dbraw/zinc/93/09/42/454930942.db2.gz HQYDRCGVMOEMCH-CQSZACIVSA-N 0 0 338.436 3.147 50 0 EGAARN COCC1(NC(=O)CCc2c(C)[nH]c3ccccc3c2=O)CCCC1 ZINC000244900074 455278191 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COC(=O)c1n[nH]c2c1[C@@H](c1oc3ccc(C)cc3c1C)CC(=O)N2 ZINC000065498011 292035745 /nfs/dbraw/zinc/03/57/45/292035745.db2.gz ZBZPRTSKZRRVCL-NSHDSACASA-N 0 0 339.351 3.033 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 ZINC000002487065 285669126 /nfs/dbraw/zinc/66/91/26/285669126.db2.gz WSECQKFCATXUKE-WFASDCNBSA-N 0 0 344.436 3.207 50 0 EGAARN COc1ccc(CC(=O)Nc2cccc(-n3cccn3)c2)cc1OC ZINC000045761195 142562331 /nfs/dbraw/zinc/56/23/31/142562331.db2.gz GAKGYAPZODMXLD-UHFFFAOYSA-N 0 0 337.379 3.071 50 0 EGAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C)o1 ZINC000079193830 285890406 /nfs/dbraw/zinc/89/04/06/285890406.db2.gz TXSKKCHUOLKEDH-WMLDXEAASA-N 0 0 340.331 3.150 50 0 biogenic EGAARN COc1ccc(N2C(=O)SC[C@]23c2ccccc2NC3=O)cc1 ZINC000039324375 286324031 /nfs/dbraw/zinc/32/40/31/286324031.db2.gz OHYOTLDNGHICGS-QGZVFWFLSA-N 0 0 326.377 3.216 50 0 EGAARN COc1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc2c(c1)OCO2 ZINC000001423656 286397465 /nfs/dbraw/zinc/39/74/65/286397465.db2.gz MYDAPZSLLDCECR-LBPRGKRZSA-N 0 0 325.364 3.405 50 0 EGAARN Cc1ccc2c(c1)N(C(=O)CSc1nc[nH]n1)C(C)(C)C=C2C ZINC000018154683 292329106 /nfs/dbraw/zinc/32/91/06/292329106.db2.gz MHJFNFVMRYUUPQ-UHFFFAOYSA-N 0 0 328.441 3.434 50 0 EGAARN COc1ccccc1[C@H]1c2c(oc3ccc(F)cc3c2=O)C(=O)N1C ZINC000002402367 286519134 /nfs/dbraw/zinc/51/91/34/286519134.db2.gz CIQLSMXBEQENHZ-INIZCTEOSA-N 0 0 339.322 3.116 50 0 EGAARN Cc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccco5)n4)c3CO2)cc1 ZINC000169769379 226567123 /nfs/dbraw/zinc/56/71/23/226567123.db2.gz XBDRHCLQPUSBRJ-OAHLLOKOSA-N 0 0 349.350 3.168 50 0 EGAARN COc1ccc(NC(=O)c2sc(-c3ccncc3)nc2C)cn1 ZINC000071280013 274114817 /nfs/dbraw/zinc/11/48/17/274114817.db2.gz FEFPIAMXTXFXEM-UHFFFAOYSA-N 0 0 326.381 3.169 50 0 EGAARN CC(C)c1nc2oc3c(ncnc3NC[C@@H](C)O)c2c2c1CCC2 ZINC000002327314 275763046 /nfs/dbraw/zinc/76/30/46/275763046.db2.gz TZTPTUACDWKZAA-SNVBAGLBSA-N 0 0 326.400 3.176 50 0 EGAARN COc1cccc(SCC(=O)N2CCC3(CCOCC3)CC2)c1 ZINC000284554503 275809447 /nfs/dbraw/zinc/80/94/47/275809447.db2.gz QBOPBUDKGVPAHN-UHFFFAOYSA-N 0 0 335.469 3.207 50 0 EGAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)CS[C@H]2c1ccccc1 ZINC000079473723 276281646 /nfs/dbraw/zinc/28/16/46/276281646.db2.gz GJLWERHIHXXFCG-INIZCTEOSA-N 0 0 345.424 3.179 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C)cc1 ZINC000002487062 276426305 /nfs/dbraw/zinc/42/63/05/276426305.db2.gz WSECQKFCATXUKE-DOMZBBRYSA-N 0 0 344.436 3.207 50 0 EGAARN CNC(=O)c1cccc(C2(O)c3ccccc3CCc3ccccc32)c1 ZINC000004776814 277260511 /nfs/dbraw/zinc/26/05/11/277260511.db2.gz UYSNFGHZWXCWMI-UHFFFAOYSA-N 0 0 343.426 3.429 50 0 EGAARN COc1c(C)c(Br)ccc1I ZINC000263620156 277361531 /nfs/dbraw/zinc/36/15/31/277361531.db2.gz CBMISVGFEJJDHV-UHFFFAOYSA-N 0 0 326.959 3.371 50 0 EGAARN COc1c(O)c(OC)c2c(c1OC)O[C@@H](c1ccccc1)CC2=O ZINC000014728482 277364940 /nfs/dbraw/zinc/36/49/40/277364940.db2.gz CSVYPJWNGKLMJM-GFCCVEGCSA-N 0 0 330.336 3.125 50 0 biogenic EGAARN COc1ccc(NCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000072192028 277916835 /nfs/dbraw/zinc/91/68/35/277916835.db2.gz QBQSNTBXGYIABD-UHFFFAOYSA-N 0 0 343.408 3.364 50 0 EGAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4nsnc4c32)cc1OC ZINC000096232559 277927582 /nfs/dbraw/zinc/92/75/82/277927582.db2.gz FSMLHLUDYRKXKH-JTQLQIEISA-N 0 0 342.376 3.150 50 0 EGAARN C[C@@H]1CCc2noc(NC(=O)c3ccc(Br)o3)c2C1 ZINC000011915202 278625363 /nfs/dbraw/zinc/62/53/63/278625363.db2.gz NKYQUMBODZOPTR-SSDOTTSWSA-N 0 0 325.162 3.407 50 0 EGAARN C[C@@H]1CCc2onc(C(=O)Nc3ccc(Br)cn3)c2C1 ZINC000006523275 278626394 /nfs/dbraw/zinc/62/63/94/278626394.db2.gz ACVDGRYBYWUTTE-MRVPVSSYSA-N 0 0 336.189 3.209 50 0 EGAARN CCN(CC)C(=O)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 ZINC000004832239 279083803 /nfs/dbraw/zinc/08/38/03/279083803.db2.gz GYGWQRNXTWFTGY-UHFFFAOYSA-N 0 0 345.464 3.284 50 0 EGAARN CCOc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O ZINC000004488773 279948270 /nfs/dbraw/zinc/94/82/70/279948270.db2.gz MYJYKVZBANBWGW-LBPRGKRZSA-N 0 0 341.363 3.036 50 0 EGAARN C[C@]1(C(=O)Nc2nc3ccccc3s2)Cc2ccccc2C(=O)O1 ZINC000000539489 280151284 /nfs/dbraw/zinc/15/12/84/280151284.db2.gz VWLWQSKXHBQYRU-GOSISDBHSA-N 0 0 338.388 3.407 50 0 EGAARN O=C1Nc2ccccc2[C@]12CC(=O)Nc1c2cnn1-c1ccc(F)cc1 ZINC000020715622 280305270 /nfs/dbraw/zinc/30/52/70/280305270.db2.gz YIGDXGRMFXKLND-IBGZPJMESA-N 0 0 348.337 3.241 50 0 EGAARN Cc1cc(C(F)(F)F)cc(N2CCC[C@]3(CN(C)C(=O)O3)CC2)n1 ZINC000072168812 280376504 /nfs/dbraw/zinc/37/65/04/280376504.db2.gz RLCMNKSFJXWVFZ-OAHLLOKOSA-N 0 0 343.349 3.220 50 0 EGAARN O=c1oc2c(ccc3c2CN(Cc2cccnc2)CO3)c2c1CCCC2 ZINC000057120598 280396948 /nfs/dbraw/zinc/39/69/48/280396948.db2.gz WFRYXGUZGHEPIY-UHFFFAOYSA-N 0 0 348.402 3.419 50 0 EGAARN Cc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1 ZINC000027795505 281039258 /nfs/dbraw/zinc/03/92/58/281039258.db2.gz QDFDQEXNEMZCSK-JTQLQIEISA-N 0 0 338.363 3.467 50 0 EGAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)CSc1nnc(C)s1 ZINC000055228077 293006039 /nfs/dbraw/zinc/00/60/39/293006039.db2.gz DDXOFLSYGLDRIS-SECBINFHSA-N 0 0 337.474 3.053 50 0 EGAARN COC[C@H]1CCN(C(=O)c2ccccc2OC(F)(F)C(F)F)C1 ZINC000219000650 293214111 /nfs/dbraw/zinc/21/41/11/293214111.db2.gz WPEDSMCNCWYXIZ-JTQLQIEISA-N 0 0 335.297 3.032 50 0 EGAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1cccc(O)c1)CC(=O)N2 ZINC000013569897 293689510 /nfs/dbraw/zinc/68/95/10/293689510.db2.gz HFOPFKWKJPPBTQ-HNNXBMFYSA-N 0 0 349.394 3.417 50 0 EGAARN COc1cccc(-n2nnnc2[C@H]2c3ccccc3CC(C)(C)N2C)c1 ZINC000035178513 295280850 /nfs/dbraw/zinc/28/08/50/295280850.db2.gz DGMNLFWFMKIUBD-GOSISDBHSA-N 0 0 349.438 3.027 50 0 EGAARN Cc1cccnc1-n1nc(C2CC2)nc1[C@@H]1CC(=O)OC12CCCC2 ZINC000065404221 302230226 /nfs/dbraw/zinc/23/02/26/302230226.db2.gz WNWKJJJKUZAZHN-AWEZNQCLSA-N 0 0 338.411 3.191 50 0 EGAARN CCOC(=O)Cc1ccc(Br)c(F)c1Br ZINC000263623395 456178690 /nfs/dbraw/zinc/17/86/90/456178690.db2.gz HBSORZXVCJHRCO-UHFFFAOYSA-N 0 0 339.986 3.456 50 0 EGAARN CCCCc1nc(CN2CCN(c3ccccc3OC)C[C@H]2C)c[nH]1 ZINC000244673853 455275586 /nfs/dbraw/zinc/27/55/86/455275586.db2.gz HWTQPSLPEYEYCS-MRXNPFEDSA-N 0 0 342.487 3.472 50 0 EGAARN Cc1noc([C@@H]2CCCCN2Cc2cc(-c3cccnc3)no2)n1 ZINC000244724666 455275926 /nfs/dbraw/zinc/27/59/26/455275926.db2.gz MYHCAVIEQYWZDL-INIZCTEOSA-N 0 0 325.372 3.155 50 0 EGAARN Cc1nc([C@H]2CCCN(Cc3nc4c(ccc(C)c4C)[nH]3)C2)no1 ZINC000244795300 455276540 /nfs/dbraw/zinc/27/65/40/455276540.db2.gz RDOTVCJQFPEDGO-AWEZNQCLSA-N 0 0 325.416 3.251 50 0 EGAARN COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000000035667 452494007 /nfs/dbraw/zinc/49/40/07/452494007.db2.gz LSESBKISVVVIDN-JTQLQIEISA-N 0 0 344.436 3.233 50 0 EGAARN CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O ZINC000000076679 452500016 /nfs/dbraw/zinc/50/00/16/452500016.db2.gz BAZNRKJZCFJTKZ-UHFFFAOYSA-N 0 0 338.363 3.039 50 0 EGAARN Cc1ccc(C)c(OCC(=O)NCCc2nc3ccccc3[nH]2)c1C ZINC000000081078 452501673 /nfs/dbraw/zinc/50/16/73/452501673.db2.gz QLPCZZJZUWJXJK-UHFFFAOYSA-N 0 0 337.423 3.226 50 0 EGAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)NC(=S)N1 ZINC000000083500 452502516 /nfs/dbraw/zinc/50/25/16/452502516.db2.gz HCCLTSCLWIANPL-MRXNPFEDSA-N 0 0 341.411 3.257 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O ZINC000000092693 452503820 /nfs/dbraw/zinc/50/38/20/452503820.db2.gz DGZFALDJXOVFDK-OAHLLOKOSA-N 0 0 329.787 3.410 50 0 EGAARN COC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000000090146 452503888 /nfs/dbraw/zinc/50/38/88/452503888.db2.gz MOEJZTVLOHJLPT-UHFFFAOYSA-N 0 0 332.363 3.251 50 0 EGAARN CCNc1nc(NC(C)C)nc(Oc2ccc(C(=O)OCC)cc2)n1 ZINC000000098111 452505637 /nfs/dbraw/zinc/50/56/37/452505637.db2.gz ZPQARAFQCXHLQU-UHFFFAOYSA-N 0 0 345.403 3.093 50 0 EGAARN COc1cccc2cc(C(=O)N3CCCc4ccccc43)c(=O)oc21 ZINC000000103885 452507596 /nfs/dbraw/zinc/50/75/96/452507596.db2.gz ROOARYOGFUADBC-UHFFFAOYSA-N 0 0 335.359 3.395 50 0 EGAARN O=S(=O)(Cc1ccc(Cl)cc1Cl)c1nc2ccc[nH]c-2n1 ZINC000000112894 452509839 /nfs/dbraw/zinc/50/98/39/452509839.db2.gz GQSHZYFASWNSAQ-UHFFFAOYSA-N 0 0 342.207 3.239 50 0 EGAARN Cc1sc2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c2c1C ZINC000000109420 452510669 /nfs/dbraw/zinc/51/06/69/452510669.db2.gz ITAZUZIQAJVKEQ-UHFFFAOYSA-N 0 0 347.827 3.367 50 0 EGAARN Cc1ccccc1N1C(=O)C(Cl)=C(N(C)c2ccccc2)C1=O ZINC000000121802 452514177 /nfs/dbraw/zinc/51/41/77/452514177.db2.gz UDDSQPNLYADJBP-UHFFFAOYSA-N 0 0 326.783 3.455 50 0 EGAARN CC1(C)COC([C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)=N1 ZINC000000140909 452516632 /nfs/dbraw/zinc/51/66/32/452516632.db2.gz DGBKQKUIXLRWHG-QGZVFWFLSA-N 0 0 348.402 3.101 50 0 EGAARN CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1csc(C)n1 ZINC000000138779 452516798 /nfs/dbraw/zinc/51/67/98/452516798.db2.gz KDKGSUZCXQVJGZ-UHFFFAOYSA-N 0 0 345.376 3.410 50 0 biogenic EGAARN CC1(C)COC([C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)=N1 ZINC000000140915 452517593 /nfs/dbraw/zinc/51/75/93/452517593.db2.gz DGBKQKUIXLRWHG-KRWDZBQOSA-N 0 0 348.402 3.101 50 0 EGAARN CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(C)cc2)n1 ZINC000000145551 452520984 /nfs/dbraw/zinc/52/09/84/452520984.db2.gz HXYFQNOTGRKHBD-CMDGGOBGSA-N 0 0 330.409 3.209 50 0 EGAARN CCOC(=O)c1cccc(NC(=O)COc2ccccc2OCC)c1 ZINC000000145596 452521015 /nfs/dbraw/zinc/52/10/15/452521015.db2.gz DSRQBTBJIJAVHA-UHFFFAOYSA-N 0 0 343.379 3.280 50 0 EGAARN COc1ccc(-c2nnsc2N2C(=O)c3ccccc3C2=O)cc1 ZINC000000158035 452525286 /nfs/dbraw/zinc/52/52/86/452525286.db2.gz RDRIHQUQFOEANB-UHFFFAOYSA-N 0 0 337.360 3.014 50 0 EGAARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)c1 ZINC000000180963 452529721 /nfs/dbraw/zinc/52/97/21/452529721.db2.gz PLJZMDNIQWAMOV-QGZVFWFLSA-N 0 0 344.411 3.199 50 0 EGAARN CCc1cc(=O)oc2cc(OCc3ccc(C(=O)OC)o3)ccc12 ZINC000000200919 452533348 /nfs/dbraw/zinc/53/33/48/452533348.db2.gz JMBPYPNQMBYKRU-UHFFFAOYSA-N 0 0 328.320 3.314 50 0 biogenic EGAARN COc1ccc(OC)c([C@H]2c3cc(OC)c(OC)cc3CCN2C)c1 ZINC000000197210 452533699 /nfs/dbraw/zinc/53/36/99/452533699.db2.gz XTAHYLNLGLZKHR-HXUWFJFHSA-N 0 0 343.423 3.298 50 0 EGAARN COc1ccccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000204146 452535363 /nfs/dbraw/zinc/53/53/63/452535363.db2.gz CGHXHSXKRUTONX-UHFFFAOYSA-N 0 0 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50 0 EGAARN CCCCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 ZINC000096024523 454263122 /nfs/dbraw/zinc/26/31/22/454263122.db2.gz IXUYMXAKKYWKRG-QGZVFWFLSA-N 0 0 343.471 3.461 50 0 in-vitro EGAARN O=C(CSC1CCCC1)NCC1CCN(c2ccccn2)CC1 ZINC000096025848 454264331 /nfs/dbraw/zinc/26/43/31/454264331.db2.gz WUARBGYXKBDPSA-UHFFFAOYSA-N 0 0 333.501 3.090 50 0 EGAARN CCCCCn1nc(C(=O)N[C@H](C(=O)OC)C(C)C)c2ccccc21 ZINC000096032862 454264869 /nfs/dbraw/zinc/26/48/69/454264869.db2.gz KTTMFFHXDMTTOB-INIZCTEOSA-N 0 0 345.443 3.154 50 0 in-vitro EGAARN COc1cccc(-c2cc(C(=O)Nc3nc4c(s3)CCC4)n[nH]2)c1 ZINC000096118788 454287080 /nfs/dbraw/zinc/28/70/80/454287080.db2.gz CNCJQRALPSIZOL-UHFFFAOYSA-N 0 0 340.408 3.283 50 0 EGAARN COC(=O)c1ccc(NC(=O)N2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1 ZINC000096137545 454291693 /nfs/dbraw/zinc/29/16/93/454291693.db2.gz HUSSTKRDAYNQQU-QDIASNEPSA-N 0 0 328.412 3.373 50 0 EGAARN Cc1nnc2n1[C@H](C)CN(C(=O)c1cccc3c4c([nH]c31)CCCC4)C2 ZINC000096149401 454293405 /nfs/dbraw/zinc/29/34/05/454293405.db2.gz GJFJXMSHCVYMEP-GFCCVEGCSA-N 0 0 349.438 3.164 50 0 EGAARN CSCCc1nc(CCn2ccnc2C)n(-c2ccc(C)cc2)n1 ZINC000096148643 454293468 /nfs/dbraw/zinc/29/34/68/454293468.db2.gz IRDIKFDLYOHEBF-UHFFFAOYSA-N 0 0 341.484 3.229 50 0 EGAARN O=Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000072330025 454294900 /nfs/dbraw/zinc/29/49/00/454294900.db2.gz CRPZGAPZODNKEW-UHFFFAOYSA-N 0 0 335.718 3.087 50 0 EGAARN CCn1cc(NC(=O)NCC2(c3ccc(F)cc3)CCCC2)nn1 ZINC000096162464 454295314 /nfs/dbraw/zinc/29/53/14/454295314.db2.gz DBQXURPHSHFRCI-UHFFFAOYSA-N 0 0 331.395 3.071 50 0 EGAARN Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc2scnc2c1 ZINC000096161723 454295459 /nfs/dbraw/zinc/29/54/59/454295459.db2.gz WGNLKJRUSQIHMC-UHFFFAOYSA-N 0 0 329.429 3.391 50 0 EGAARN COCCNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000096180383 454298608 /nfs/dbraw/zinc/29/86/08/454298608.db2.gz GVMVMGGCKGNKIJ-UHFFFAOYSA-N 0 0 329.274 3.221 50 0 EGAARN O=C(NC1CCCC1)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000096230705 454310959 /nfs/dbraw/zinc/31/09/59/454310959.db2.gz YBPJRSXGMIPORY-UHFFFAOYSA-N 0 0 331.343 3.030 50 0 EGAARN c1csc(CN2CCN(Cc3nc(-c4ccsc4)no3)CC2)c1 ZINC000096307673 454317847 /nfs/dbraw/zinc/31/78/47/454317847.db2.gz DHWGFUKCZZDPEH-UHFFFAOYSA-N 0 0 346.481 3.177 50 0 EGAARN Cc1ccc(NC(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)cc1C ZINC000096363062 454319112 /nfs/dbraw/zinc/31/91/12/454319112.db2.gz XOBCZCHGJIJYKE-IBGZPJMESA-N 0 0 339.439 3.151 50 0 EGAARN CO[C@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000096388172 454320175 /nfs/dbraw/zinc/32/01/75/454320175.db2.gz HHXKHBFYZLARBZ-JHTBKMLMSA-N 0 0 343.354 3.072 50 0 EGAARN COc1ccc(CCC(=O)NC[C@@H](OC)c2cccc(OC)c2)cc1 ZINC000096389899 454320449 /nfs/dbraw/zinc/32/04/49/454320449.db2.gz SLKRPNYEUKFVDO-LJQANCHMSA-N 0 0 343.423 3.140 50 0 EGAARN O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)c1cccc(Cl)c1 ZINC000090613968 454328096 /nfs/dbraw/zinc/32/80/96/454328096.db2.gz PJTLSOKTVLAGGS-UHFFFAOYSA-N 0 0 325.755 3.343 50 0 EGAARN FC(F)(Cl)c1nnc2sc(-c3cc(-c4ccco4)on3)nn21 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CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000047977119 454427089 /nfs/dbraw/zinc/42/70/89/454427089.db2.gz JDUNGRGFTZUDKV-UHFFFAOYSA-N 0 0 337.851 3.452 50 0 EGAARN CCC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000091381169 454432621 /nfs/dbraw/zinc/43/26/21/454432621.db2.gz RGVJXGZNIPZTMU-FQEVSTJZSA-N 0 0 341.455 3.398 50 0 EGAARN COCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCO1 ZINC000097492589 454438808 /nfs/dbraw/zinc/43/88/08/454438808.db2.gz ONATZMQCFAKPKD-QGZVFWFLSA-N 0 0 347.846 3.034 50 0 EGAARN CCN1C[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)CCC1=O ZINC000091548779 454444360 /nfs/dbraw/zinc/44/43/60/454444360.db2.gz SDLKCVUDTMJMGP-IBGZPJMESA-N 0 0 336.435 3.228 50 0 EGAARN COc1ccc(OC)c(-c2nc3c(-c4cccnc4)[nH]n(C)c-3n2)c1 ZINC000063844816 454454193 /nfs/dbraw/zinc/45/41/93/454454193.db2.gz FYTZGGWLOJKDHS-UHFFFAOYSA-N 0 0 335.367 3.043 50 0 EGAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(F)cc2nc[nH]c21 ZINC000048246178 454462449 /nfs/dbraw/zinc/46/24/49/454462449.db2.gz 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/nfs/dbraw/zinc/55/42/59/454554259.db2.gz IYCMNXCCLMBTME-LLVKDONJSA-N 0 0 332.400 3.305 50 0 EGAARN COc1cccc(-c2noc(CN(C)C(=O)Nc3ccccc3)n2)c1 ZINC000065365727 454554441 /nfs/dbraw/zinc/55/44/41/454554441.db2.gz LPOSYYWFCSRBHP-UHFFFAOYSA-N 0 0 338.367 3.409 50 0 EGAARN Cc1cc(NCc2nc(C)c3c(n2)CCCC3)nc(-c2cccnc2)n1 ZINC000065371241 454554533 /nfs/dbraw/zinc/55/45/33/454554533.db2.gz HERXRWXJLGYLIG-UHFFFAOYSA-N 0 0 346.438 3.436 50 0 EGAARN O=C1C[C@H](c2cccc(Cn3cccn3)c2)c2cc3c[nH]nc3cc2N1 ZINC000065370959 454554714 /nfs/dbraw/zinc/55/47/14/454554714.db2.gz LRIDNERXHSSHMX-MRXNPFEDSA-N 0 0 343.390 3.282 50 0 EGAARN CC(=O)c1c(C)nn(-c2ccc(C(=O)NCc3ccccc3)o2)c1C ZINC000065372444 454555161 /nfs/dbraw/zinc/55/51/61/454555161.db2.gz ZOOUGRCRDGZFDY-UHFFFAOYSA-N 0 0 337.379 3.215 50 0 EGAARN Cc1cc(C)cc(-n2nc(-c3ccccc3)nc2[C@@H]2CC(=O)N(C)C2)c1 ZINC000065395705 454558414 /nfs/dbraw/zinc/55/84/14/454558414.db2.gz TXSHUNYVNBGYNI-QGZVFWFLSA-N 0 0 346.434 3.497 50 0 EGAARN CC(=O)N1CCCC[C@@H]1C1=CCCN(Cc2ccc(Cl)nc2)C1 ZINC000065404691 454560675 /nfs/dbraw/zinc/56/06/75/454560675.db2.gz GHVNIKLVWRLQHV-QGZVFWFLSA-N 0 0 333.863 3.268 50 0 EGAARN COc1ccccc1-n1nc(C)nc1[C@H](O)c1cccc(Cl)c1 ZINC000065407954 454561540 /nfs/dbraw/zinc/56/15/40/454561540.db2.gz XZLFZHHSLCBHPQ-MRXNPFEDSA-N 0 0 329.787 3.319 50 0 EGAARN Cc1ccc2c(Cc3n[nH]c(Cc4ccccc4)n3)cc(=O)oc2c1 ZINC000065407313 454561765 /nfs/dbraw/zinc/56/17/65/454561765.db2.gz MTGIVYQXPGDYDG-UHFFFAOYSA-N 0 0 331.375 3.401 50 0 EGAARN CCCc1cc(N2CCN(Cc3cc(C(C)C)no3)CC2)nc(C)n1 ZINC000065406323 454561818 /nfs/dbraw/zinc/56/18/18/454561818.db2.gz OUTSMLHHWZOABF-UHFFFAOYSA-N 0 0 343.475 3.171 50 0 EGAARN CCn1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)cn1 ZINC000065407205 454561902 /nfs/dbraw/zinc/56/19/02/454561902.db2.gz TWYREQGHHGATOB-UHFFFAOYSA-N 0 0 327.384 3.238 50 0 EGAARN CSc1ccc2c(C)cc(NC[C@H]3CCS(=O)(=O)C3)nc2c1 ZINC000065496548 454578604 /nfs/dbraw/zinc/57/86/04/454578604.db2.gz NEFISRCYDACECC-GFCCVEGCSA-N 0 0 336.482 3.112 50 0 EGAARN Fc1ccc(CN2CCO[C@H](c3nccs3)C2)c2ncccc12 ZINC000065593889 454599550 /nfs/dbraw/zinc/59/95/50/454599550.db2.gz IKZDKVCQCITCMI-HNNXBMFYSA-N 0 0 329.400 3.404 50 0 EGAARN Cc1ccc(C)c(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)c1 ZINC000113562446 454930407 /nfs/dbraw/zinc/93/04/07/454930407.db2.gz DIRXYTGVOKSKQR-MRXNPFEDSA-N 0 0 326.421 3.310 50 0 EGAARN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1n[nH]c2c1CCC2 ZINC000151732179 455023330 /nfs/dbraw/zinc/02/33/30/455023330.db2.gz LHVIEUILNTXHJF-INIZCTEOSA-N 0 0 337.423 3.465 50 0 EGAARN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)o1 ZINC000174610461 455406355 /nfs/dbraw/zinc/40/63/55/455406355.db2.gz QFYSEAUDAHTGJW-ZDUSSCGKSA-N 0 0 325.368 3.452 50 0 EGAARN COc1cc(C)sc1C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000185936115 455657222 /nfs/dbraw/zinc/65/72/22/455657222.db2.gz DUSZVIGSWNLMTK-UHFFFAOYSA-N 0 0 331.437 3.189 50 0 EGAARN Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000253407801 455840262 /nfs/dbraw/zinc/84/02/62/455840262.db2.gz WTOWDDSONLACRS-OAHLLOKOSA-N 0 0 337.379 3.133 50 0 EGAARN O=C(N[C@H](Cn1nccn1)c1ccccc1)c1nc2ccccc2s1 ZINC000253471434 455849457 /nfs/dbraw/zinc/84/94/57/455849457.db2.gz CPUHVXSTCIPRLM-OAHLLOKOSA-N 0 0 349.419 3.059 50 0 EGAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)C1CCSCC1 ZINC000220463017 456040621 /nfs/dbraw/zinc/04/06/21/456040621.db2.gz FPDLDENZSWHJLF-UHFFFAOYSA-N 0 0 343.496 3.386 50 0 EGAARN COc1ccc(CC(=O)N[C@H](C)c2nc(C)sc2C)c(OC)c1 ZINC000222900666 456051798 /nfs/dbraw/zinc/05/17/98/456051798.db2.gz IAOLPYMRDNNVBW-SNVBAGLBSA-N 0 0 334.441 3.197 50 0 EGAARN CC[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC000222986172 456052318 /nfs/dbraw/zinc/05/23/18/456052318.db2.gz NVDDEGKBAZUBEK-CQSZACIVSA-N 0 0 325.334 3.249 50 0 EGAARN CC1(C)C[C@](CCNC(=O)c2cnc[nH]2)(c2ccccc2)CCO1 ZINC000223656374 456058345 /nfs/dbraw/zinc/05/83/45/456058345.db2.gz NLAGGWCJDVSASU-LJQANCHMSA-N 0 0 327.428 3.057 50 0 EGAARN O=C(CCCc1ccc(F)cc1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000223691194 456059371 /nfs/dbraw/zinc/05/93/71/456059371.db2.gz CQDRGTPYYCTYQV-FQEVSTJZSA-N 0 0 327.399 3.269 50 0 EGAARN CN(C)[C@@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccccc1F ZINC000223684998 456060008 /nfs/dbraw/zinc/06/00/08/456060008.db2.gz YXYIEGCTXBNTKV-LJQANCHMSA-N 0 0 341.430 3.230 50 0 EGAARN CCn1ncnc1[C@@H](NC(=O)c1scc2c1CCCC2)C1CC1 ZINC000223765928 456061210 /nfs/dbraw/zinc/06/12/10/456061210.db2.gz AAUPGQLKTFNWAB-AWEZNQCLSA-N 0 0 330.457 3.119 50 0 EGAARN O=C(CCN1Cc2ccccc2C1=O)N1CCCC[C@@H]1c1cccnc1 ZINC000225424608 456081988 /nfs/dbraw/zinc/08/19/88/456081988.db2.gz VRCNKODLRCMKLC-LJQANCHMSA-N 0 0 349.434 3.181 50 0 biogenic EGAARN O=C(NCc1cccs1)c1cc(OCc2ccccc2)ncn1 ZINC000225533459 456091138 /nfs/dbraw/zinc/09/11/38/456091138.db2.gz DCUPFIKEYPLHKJ-UHFFFAOYSA-N 0 0 325.393 3.047 50 0 EGAARN C[C@H](Oc1ccccc1)C(=O)NCCc1cnc(-c2ccccc2)nc1 ZINC000225591643 456095730 /nfs/dbraw/zinc/09/57/30/456095730.db2.gz YPGGGVHQHPECEZ-INIZCTEOSA-N 0 0 347.418 3.270 50 0 EGAARN C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000225604479 456096828 /nfs/dbraw/zinc/09/68/28/456096828.db2.gz OQHAWZGRMFMOSM-LBPRGKRZSA-N 0 0 340.379 3.103 50 0 EGAARN CC(C)c1nnc(NC(=O)C[C@H](c2ccsc2)n2cccc2)[nH]1 ZINC000263588671 456178596 /nfs/dbraw/zinc/17/85/96/456178596.db2.gz WXNOIDDQCSAAIU-CYBMUJFWSA-N 0 0 329.429 3.409 50 0 EGAARN O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@H]2CCCCO2)c1 ZINC000390828856 457443557 /nfs/dbraw/zinc/44/35/57/457443557.db2.gz UYVYLENNCCCYQP-MRXNPFEDSA-N 0 0 338.411 3.115 50 0 EGAARN O=C(NC1CCC(F)(F)CC1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000390831082 457444784 /nfs/dbraw/zinc/44/47/84/457444784.db2.gz PNLFBARECVJCEI-UHFFFAOYSA-N 0 0 349.337 3.113 50 0 EGAARN O=C(NCc1ccc(-c2ccoc2)cc1)C(=O)Nc1ccccc1F ZINC000390831070 457445051 /nfs/dbraw/zinc/44/50/51/457445051.db2.gz PLFTWRNZTZTXRO-UHFFFAOYSA-N 0 0 338.338 3.341 50 0 EGAARN CC1(C)Cc2cc(CNC(=O)c3onc4c3CCCC4)ccc2O1 ZINC000426359487 457810148 /nfs/dbraw/zinc/81/01/48/457810148.db2.gz 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/nfs/dbraw/zinc/86/02/73/457860273.db2.gz KZAPKLAEAHISLN-SNVBAGLBSA-N 0 0 339.346 3.091 50 0 EGAARN CCc1cnc(C)nc1-c1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000426599804 457860428 /nfs/dbraw/zinc/86/04/28/457860428.db2.gz VKKQQXDMNYWUEP-UHFFFAOYSA-N 0 0 349.438 3.031 50 0 EGAARN Cc1nccn1[C@@H](C)C(=O)NCc1csc(Cc2ccccc2)n1 ZINC000426635352 457867651 /nfs/dbraw/zinc/86/76/51/457867651.db2.gz KIZXSVAKEUYGPA-ZDUSSCGKSA-N 0 0 340.452 3.116 50 0 EGAARN C[C@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccsc1 ZINC000534589624 459335880 /nfs/dbraw/zinc/33/58/80/459335880.db2.gz VCNNTOUHGUSUGJ-LBPRGKRZSA-N 0 0 349.481 3.038 50 0 EGAARN O=C(NCCC1(O)CCCC1)N1CCC(Cc2ccccc2F)CC1 ZINC000534592778 459336759 /nfs/dbraw/zinc/33/67/59/459336759.db2.gz MITAXDYJEWBAEV-UHFFFAOYSA-N 0 0 348.462 3.485 50 0 EGAARN COc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)ccc1C(=O)[O-] ZINC000534648644 459341725 /nfs/dbraw/zinc/34/17/25/459341725.db2.gz OERCRIWVYKNJLV-CQSZACIVSA-N 0 0 341.407 3.454 50 0 EGAARN O=C(NCCSCc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000534670908 459344291 /nfs/dbraw/zinc/34/42/91/459344291.db2.gz KFXHECOWWSNTSR-UHFFFAOYSA-N 0 0 344.484 3.232 50 0 EGAARN Cc1ccccc1-n1cc(CN(C)C(=O)NCCSC(C)C)cn1 ZINC000534673878 459345716 /nfs/dbraw/zinc/34/57/16/459345716.db2.gz LMGIBGIVJTZHCS-UHFFFAOYSA-N 0 0 346.500 3.464 50 0 EGAARN NC(=O)COc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000526052491 459539278 /nfs/dbraw/zinc/53/92/78/459539278.db2.gz JVMGMVLPBBEUIT-UHFFFAOYSA-N 0 0 329.739 3.181 50 0 EGAARN CCc1nc2ccc(NC(=O)Nc3ccnc4cccnc43)cc2o1 ZINC000498049211 459566540 /nfs/dbraw/zinc/56/65/40/459566540.db2.gz CEIYHUGYEGJQNX-UHFFFAOYSA-N 0 0 333.351 3.399 50 0 EGAARN Cc1nc(-c2ccc(C(=O)N(C)CCc3ccccn3)cc2)c(C)[nH]1 ZINC000584897387 459820580 /nfs/dbraw/zinc/82/05/80/459820580.db2.gz KMJJBVGYLYVWLN-UHFFFAOYSA-N 0 0 334.423 3.403 50 0 EGAARN COc1ccc2c(c1)[C@@H](NC(=O)N1CCC(OC)CC1)CC(C)(C)O2 ZINC000584896977 459820650 /nfs/dbraw/zinc/82/06/50/459820650.db2.gz HTJCVJZQTUESSP-INIZCTEOSA-N 0 0 348.443 3.118 50 0 EGAARN COCCN(Cc1ccccc1C)C(=O)NCc1cc(C2CC2)on1 ZINC000584899979 459820728 /nfs/dbraw/zinc/82/07/28/459820728.db2.gz WKEGLVDZRHLCBA-UHFFFAOYSA-N 0 0 343.427 3.219 50 0 EGAARN Cc1nn(C)c(C)c1[C@H](C)NC(=O)C(C)(C)Nc1ccc(C)cc1 ZINC000584899187 459820774 /nfs/dbraw/zinc/82/07/74/459820774.db2.gz GAHFRUSVZFPALE-ZDUSSCGKSA-N 0 0 328.460 3.413 50 0 EGAARN CC[C@@H](CNC(=O)N1CCc2[nH]c(C)nc2C1)Cc1ccccc1 ZINC000584903134 459821231 /nfs/dbraw/zinc/82/12/31/459821231.db2.gz LGNKUBBOVDMEMN-OAHLLOKOSA-N 0 0 326.444 3.055 50 0 EGAARN Cc1nc2cc(CNC(=O)N(C)CCc3scnc3C)ccc2[nH]1 ZINC000584903924 459821290 /nfs/dbraw/zinc/82/12/90/459821290.db2.gz RTLSVSVMDMTOBB-UHFFFAOYSA-N 0 0 343.456 3.020 50 0 EGAARN Cn1cc(-c2cncc(CNC(=O)c3ccc(Cl)s3)c2)cn1 ZINC000575414811 459972042 /nfs/dbraw/zinc/97/20/42/459972042.db2.gz WCOIXVLIXRYOSG-UHFFFAOYSA-N 0 0 332.816 3.127 50 0 EGAARN O=S(=O)(/C=C/c1ccccc1)NCc1ccc(-c2ccoc2)nc1 ZINC000575414482 459972409 /nfs/dbraw/zinc/97/24/09/459972409.db2.gz SBBFOLVRTGMNSA-PKNBQFBNSA-N 0 0 340.404 3.432 50 0 EGAARN O=C(NCC[C@H](CCO)c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000575608284 459980878 /nfs/dbraw/zinc/98/08/78/459980878.db2.gz RUTLIWOJZHLCCE-GFCCVEGCSA-N 0 0 348.424 3.155 50 0 EGAARN O=C(COc1ccccc1)NC[C@@H](O)c1ccc(-c2ccsc2)o1 ZINC000575609440 459980960 /nfs/dbraw/zinc/98/09/60/459980960.db2.gz BUEPAAMLCWAHPR-OAHLLOKOSA-N 0 0 343.404 3.237 50 0 EGAARN CCc1ccc(NC(=O)C(=O)NCc2ccc(-c3ccoc3)o2)cc1 ZINC000575611065 459982331 /nfs/dbraw/zinc/98/23/31/459982331.db2.gz UDYZDNFQJZQHGF-UHFFFAOYSA-N 0 0 338.363 3.357 50 0 EGAARN CCOc1ccccc1C(=O)NC[C@H](c1cccs1)n1cccn1 ZINC000575614181 459983369 /nfs/dbraw/zinc/98/33/69/459983369.db2.gz OZCCCMHIKFYONO-OAHLLOKOSA-N 0 0 341.436 3.363 50 0 EGAARN O=C(Cc1c(F)cccc1Cl)NC[C@H](c1ccco1)n1cccn1 ZINC000575613644 459983830 /nfs/dbraw/zinc/98/38/30/459983830.db2.gz JAELJVKSZPYLBT-OAHLLOKOSA-N 0 0 347.777 3.217 50 0 EGAARN Cc1cc(C)nc(O[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)n1 ZINC000575614268 459983936 /nfs/dbraw/zinc/98/39/36/459983936.db2.gz 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/nfs/dbraw/zinc/98/81/76/459988176.db2.gz PATXRJFEHVACPE-NSHDSACASA-N 0 0 329.425 3.042 50 0 EGAARN O=C(NC[C@@H](OCCO)c1ccsc1)c1c(F)cccc1Cl ZINC000575622455 459990134 /nfs/dbraw/zinc/99/01/34/459990134.db2.gz YVCDBABNKQHEIE-CYBMUJFWSA-N 0 0 343.807 3.021 50 0 EGAARN CCCC(=O)NC(=S)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000000309693 471346113 /nfs/dbraw/zinc/34/61/13/471346113.db2.gz IUWNVIZFFAAYND-UHFFFAOYSA-N 0 0 335.454 3.432 50 0 aggregator EGAARN Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCCCC2)n1 ZINC000001254344 471384012 /nfs/dbraw/zinc/38/40/12/471384012.db2.gz ZOWATQZBWLXYGK-UHFFFAOYSA-N 0 0 332.839 3.145 50 0 EGAARN COc1cc(NC(=S)NCCc2ccc(F)cc2)cc(OC)c1 ZINC000000477807 518139187 /nfs/dbraw/zinc/13/91/87/518139187.db2.gz BHWOKYGIZKCKPI-UHFFFAOYSA-N 0 0 334.416 3.372 50 0 EGAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCc2cccnc2)CC1 ZINC000253388026 518834821 /nfs/dbraw/zinc/83/48/21/518834821.db2.gz XXRMHIRPGKRWKB-KOMQPUFPSA-N 0 0 347.459 3.029 50 0 EGAARN Cc1ccccc1[C@H](CC(=O)NCCc1ncnn1C)c1ccccc1 ZINC000095510992 525421924 /nfs/dbraw/zinc/42/19/24/525421924.db2.gz GTENXULMIHWQFF-LJQANCHMSA-N 0 0 348.450 3.004 50 0 EGAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cccnc2)CC1 ZINC000245255116 534891686 /nfs/dbraw/zinc/89/16/86/534891686.db2.gz FSACWJRPCWIDJN-HDJSIYSDSA-N 0 0 333.432 3.351 50 0 EGAARN CN(Cc1ccc2ccccc2n1)C(=O)COCC(F)(F)C(F)F ZINC000219871758 536474016 /nfs/dbraw/zinc/47/40/16/536474016.db2.gz IDDPAMZKUTUREQ-UHFFFAOYSA-N 0 0 344.308 3.110 50 0 EGAARN O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1cc2ccccc2o1 ZINC000245026656 526865311 /nfs/dbraw/zinc/86/53/11/526865311.db2.gz NFGBFFSGNZGYIF-INIZCTEOSA-N 0 0 332.363 3.196 50 0 EGAARN CCCc1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cs1 ZINC000219006202 535393439 /nfs/dbraw/zinc/39/34/39/535393439.db2.gz WPXLMEBCNHKJME-IRXDYDNUSA-N 0 0 337.485 3.262 50 0 EGAARN O=C(CCCn1cncn1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000014949510 546518190 /nfs/dbraw/zinc/51/81/90/546518190.db2.gz JUHFWCXOCSJZLS-INIZCTEOSA-N 0 0 344.434 3.069 50 0 EGAARN CCc1cnc(N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)nc1 ZINC000071524145 546569944 /nfs/dbraw/zinc/56/99/44/546569944.db2.gz KRSNJYXRAFYMBR-ZDUSSCGKSA-N 0 0 331.366 3.417 50 0 EGAARN O=C(NC[C@@H]1CCCOC1)N(Cc1ccccn1)C1CCCCC1 ZINC000670440202 548215516 /nfs/dbraw/zinc/21/55/16/548215516.db2.gz JMYUGDDKPGTXNT-INIZCTEOSA-N 0 0 331.460 3.353 50 0 EGAARN Cn1nc2c(c1C(=O)NC[C@]1(c3ccccc3)CC1(C)C)CCCC2 ZINC000670448691 548217044 /nfs/dbraw/zinc/21/70/44/548217044.db2.gz FMIBVQQXPVCHOO-NRFANRHFSA-N 0 0 337.467 3.397 50 0 EGAARN COc1ccc(-c2noc(CN(C)C(=O)OC(C)(C)C)n2)cc1F ZINC000221639501 564036348 /nfs/dbraw/zinc/03/63/48/564036348.db2.gz LWZSOLLDXQTPTP-UHFFFAOYSA-N 0 0 337.351 3.251 50 0 EGAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(CC)no4)cc3CO2)cc1 ZINC000263616767 564062959 /nfs/dbraw/zinc/06/29/59/564062959.db2.gz KKWXBIMMFIKZEY-INIZCTEOSA-N 0 0 340.383 3.166 50 0 EGAARN CN(CCc1cnn(C)c1)c1nncc(-c2ccc3ccccc3c2)n1 ZINC000011714289 1291128033 /nfs/dbraw/zinc/12/80/33/1291128033.db2.gz KEPYIEDVPOWURH-UHFFFAOYSA-N 0 0 344.422 3.104 50 0 EGAARN COC[C@H]1CCCN(C(=O)c2ccc(NCc3ccc(C)o3)nc2)C1 ZINC000015066798 1291145365 /nfs/dbraw/zinc/14/53/65/1291145365.db2.gz YKICUNIEPSXERO-HNNXBMFYSA-N 0 0 343.427 3.094 50 0 EGAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc1 ZINC000015069846 1291145400 /nfs/dbraw/zinc/14/54/00/1291145400.db2.gz BUGBFXXKPGUIGB-QGZVFWFLSA-N 0 0 326.444 3.260 50 0 EGAARN Cc1cnc(CNC(=O)C[C@H](Cc2ccccc2)c2ccco2)cn1 ZINC000827802419 1292376767 /nfs/dbraw/zinc/37/67/67/1292376767.db2.gz JXNTYLXSEZYNSY-KRWDZBQOSA-N 0 0 335.407 3.411 50 0 EGAARN O=C(CCN1CCCCCC1=O)NCc1ccc(C(F)(F)F)cc1 ZINC000827819971 1292381596 /nfs/dbraw/zinc/38/15/96/1292381596.db2.gz RMASKJJMZQBYGK-UHFFFAOYSA-N 0 0 342.361 3.114 50 0 EGAARN Cc1n[nH]c(CCC(=O)NC[C@@]2(c3ccccc3)CC2(C)C)c1C ZINC000827822499 1292381896 /nfs/dbraw/zinc/38/18/96/1292381896.db2.gz ZLDPSNVHZCGOFO-HXUWFJFHSA-N 0 0 325.456 3.443 50 0 EGAARN CC(=O)c1cc(CC(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cs1 ZINC000827855250 1292388615 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FGIWMLFGLJNHEY-INIZCTEOSA-N 0 0 330.771 3.480 50 0 EGAARN Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000004487670 210201809 /nfs/dbraw/zinc/20/18/09/210201809.db2.gz LVZKQMYXDIRMOH-UHFFFAOYSA-N 0 0 332.400 3.136 50 0 EGAARN Cc1ccc(Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2N)cc1 ZINC000004438484 210194035 /nfs/dbraw/zinc/19/40/35/210194035.db2.gz HDPZHGLETNYTCN-UHFFFAOYSA-N 0 0 335.411 3.086 50 0 EGAARN COc1cc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)cc2c1OCCO2 ZINC000100793338 219106933 /nfs/dbraw/zinc/10/69/33/219106933.db2.gz CELYQBYVUSRCTQ-ZDUSSCGKSA-N 0 0 345.782 3.398 50 0 biogenic EGAARN COc1ccc([C@H]2CC(c3cccs3)=Nc3ncnn32)cc1OC ZINC000100835122 219108759 /nfs/dbraw/zinc/10/87/59/219108759.db2.gz CXTHLSSTPPQRAW-CYBMUJFWSA-N 0 0 340.408 3.413 50 0 EGAARN COc1ccc(C2=Nc3ncnn3[C@H](c3cccs3)C2)cc1OC ZINC000100834928 219108909 /nfs/dbraw/zinc/10/89/09/219108909.db2.gz SCEGWTKHOAXEQM-ZDUSSCGKSA-N 0 0 340.408 3.413 50 0 EGAARN O=C(C[C@H]1CCS(=O)(=O)C1)Oc1ccc(-c2ccccc2)cc1 ZINC000004392790 210188031 /nfs/dbraw/zinc/18/80/31/210188031.db2.gz AUDSTOAJDVKXLY-CQSZACIVSA-N 0 0 330.405 3.084 50 0 EGAARN CC(=O)NCCc1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000004385679 210184908 /nfs/dbraw/zinc/18/49/08/210184908.db2.gz OCVQKFINZNISGW-UHFFFAOYSA-N 0 0 337.423 3.102 50 0 EGAARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(C)cc1)n2C ZINC000100908593 219111037 /nfs/dbraw/zinc/11/10/37/219111037.db2.gz YUBZRUKFWDDGGN-HNENSFHCSA-N 0 0 342.420 3.307 50 0 EGAARN O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccc(F)cc1 ZINC000004391977 210185880 /nfs/dbraw/zinc/18/58/80/210185880.db2.gz WMTXVYPULOTDJI-UHFFFAOYSA-N 0 0 340.383 3.409 50 0 EGAARN CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2C)CC1=O ZINC000004385055 210185434 /nfs/dbraw/zinc/18/54/34/210185434.db2.gz GWATVXPDQFGQGV-CQSZACIVSA-N 0 0 335.407 3.493 50 0 EGAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=Nc3nnnn32)cc1OC ZINC000100960410 219112443 /nfs/dbraw/zinc/11/24/43/219112443.db2.gz MOAJVPMWOKQLBC-MRXNPFEDSA-N 0 0 349.394 3.055 50 0 EGAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000004385136 210184649 /nfs/dbraw/zinc/18/46/49/210184649.db2.gz WQUUJOXNFXOXSR-GFCCVEGCSA-N 0 0 344.798 3.340 50 0 EGAARN COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 ZINC000004385148 210184571 /nfs/dbraw/zinc/18/45/71/210184571.db2.gz YDSXVJCTKYQPHB-OAHLLOKOSA-N 0 0 338.407 3.304 50 0 EGAARN O=C1C[C@@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 ZINC000101115504 219116863 /nfs/dbraw/zinc/11/68/63/219116863.db2.gz WQTHMRQRVADURE-CQSZACIVSA-N 0 0 334.734 3.007 50 0 EGAARN CCCCc1cn(CC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nn1 ZINC000048368572 213933368 /nfs/dbraw/zinc/93/33/68/213933368.db2.gz ZFMRGTFQKALUOB-QGZVFWFLSA-N 0 0 330.476 3.216 50 0 EGAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)n1ncc2ccccc2c1=O ZINC000065362351 214874718 /nfs/dbraw/zinc/87/47/18/214874718.db2.gz JHXUIAUDQITXNZ-LLVKDONJSA-N 0 0 327.771 3.250 50 0 EGAARN CC(C)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004188341 210142855 /nfs/dbraw/zinc/14/28/55/210142855.db2.gz GOORFLXAZADGOX-AZQPONJRSA-N 0 0 341.407 3.035 50 0 EGAARN COc1ccccc1-c1nnc(NC(=O)c2ccc(N(C)C)cc2)o1 ZINC000004191775 210142141 /nfs/dbraw/zinc/14/21/41/210142141.db2.gz ULNUDZVGVVXDJF-UHFFFAOYSA-N 0 0 338.367 3.064 50 0 EGAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1nccs1 ZINC000004167305 210136980 /nfs/dbraw/zinc/13/69/80/210136980.db2.gz JGVAVQMAYPXWSR-UHFFFAOYSA-N 0 0 334.451 3.392 50 0 EGAARN COc1ccc(C(=O)NCCc2csc(-c3cccnc3)n2)cc1 ZINC000004167039 210136391 /nfs/dbraw/zinc/13/63/91/210136391.db2.gz PAAZRUAPDSTZKU-UHFFFAOYSA-N 0 0 339.420 3.186 50 0 EGAARN CC[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1CC)C(=O)OC ZINC000004138614 210131097 /nfs/dbraw/zinc/13/10/97/210131097.db2.gz QSXDEKPKSGAAJO-CQSZACIVSA-N 0 0 344.440 3.490 50 0 EGAARN CSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O ZINC000004121156 210126706 /nfs/dbraw/zinc/12/67/06/210126706.db2.gz IEIGNRXIDVEKEK-UHFFFAOYSA-N 0 0 331.422 3.039 50 0 EGAARN CCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C ZINC000004102749 210120115 /nfs/dbraw/zinc/12/01/15/210120115.db2.gz BDWACERBEBGQRE-UHFFFAOYSA-N 0 0 342.443 3.031 50 0 EGAARN CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC ZINC000004084860 210116915 /nfs/dbraw/zinc/11/69/15/210116915.db2.gz CMEDHSPRJOTYRY-SJCJKPOMSA-N 0 0 346.427 3.303 50 0 EGAARN Cc1cccc(C(=O)NCC2N=NC(=S)N2c2cccc(C)c2)c1 ZINC000004059223 210109923 /nfs/dbraw/zinc/10/99/23/210109923.db2.gz XWWBOBPECBTISW-UHFFFAOYSA-N 0 0 338.436 3.103 50 0 EGAARN CCOC(=O)[C@@H](CC)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000004056227 210109490 /nfs/dbraw/zinc/10/94/90/210109490.db2.gz IYLWFTGWHRSTFI-OAHLLOKOSA-N 0 0 330.380 3.311 50 0 EGAARN Cc1c(O[C@@H](C)C(=O)OC(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000004056224 210108881 /nfs/dbraw/zinc/10/88/81/210108881.db2.gz KTIVUCCGDGSIEU-LBPRGKRZSA-N 0 0 330.380 3.309 50 0 EGAARN CC(C)COC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000004056217 210108998 /nfs/dbraw/zinc/10/89/98/210108998.db2.gz VTEDLROZINLSSU-GFCCVEGCSA-N 0 0 330.380 3.248 50 0 EGAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4[nH]3)CC2=O)c1 ZINC000004033546 210104450 /nfs/dbraw/zinc/10/44/50/210104450.db2.gz OAZHIADFBSMXCS-LBPRGKRZSA-N 0 0 337.379 3.101 50 0 EGAARN COc1ccc(NC(=O)c2cc(-c3ccccc3O)on2)cc1OC ZINC000003908590 210091202 /nfs/dbraw/zinc/09/12/02/210091202.db2.gz GIACFYLJTSDZMC-UHFFFAOYSA-N 0 0 340.335 3.317 50 0 EGAARN COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)no2)cc1OC ZINC000003908091 210091417 /nfs/dbraw/zinc/09/14/17/210091417.db2.gz NXHDZFMSHYGIBC-GFCCVEGCSA-N 0 0 330.384 3.373 50 0 EGAARN COc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1OC ZINC000003908077 210091473 /nfs/dbraw/zinc/09/14/73/210091473.db2.gz VKIIJSYZDVLMGV-UHFFFAOYSA-N 0 0 330.384 3.421 50 0 EGAARN CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1cccnc1 ZINC000003895887 210085887 /nfs/dbraw/zinc/08/58/87/210085887.db2.gz OIKHSHXTROBUHR-VMWRSERWSA-N 0 0 345.487 3.055 50 0 EGAARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(N)c1 ZINC000003885332 210083435 /nfs/dbraw/zinc/08/34/35/210083435.db2.gz UNEBVKXIXLVESW-UHFFFAOYSA-N 0 0 349.456 3.052 50 0 EGAARN Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102306840 219193386 /nfs/dbraw/zinc/19/33/86/219193386.db2.gz NIWYHOQJXZDUMB-IAGOWNOFSA-N 0 0 337.423 3.228 50 0 EGAARN COc1cc(NC(=S)NCCCOC(C)C)c(OC)cc1Cl ZINC000003765107 210073924 /nfs/dbraw/zinc/07/39/24/210073924.db2.gz CCJYXTDYHQFKPP-UHFFFAOYSA-N 0 0 346.880 3.459 50 0 EGAARN CCCOCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066708036 215071320 /nfs/dbraw/zinc/07/13/20/215071320.db2.gz GJJKDIVVGYDIDB-CQSZACIVSA-N 0 0 332.227 3.320 50 0 EGAARN Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1C ZINC000003443264 210040327 /nfs/dbraw/zinc/04/03/27/210040327.db2.gz WQYKDDNOROYDDE-UHFFFAOYSA-N 0 0 345.826 3.473 50 0 EGAARN Cc1cc(C)c(NC(=O)COC(=O)c2ccc(C=O)cc2)c(C)c1 ZINC000003386982 210025027 /nfs/dbraw/zinc/02/50/27/210025027.db2.gz FBIQRRVWMVLSNW-UHFFFAOYSA-N 0 0 325.364 3.220 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000003386890 210025121 /nfs/dbraw/zinc/02/51/21/210025121.db2.gz CZLOZWCKXHJXSN-UHFFFAOYSA-N 0 0 343.379 3.116 50 0 EGAARN COc1cccc([C@H](C)NC(=O)COC(=O)c2ccc(C)cc2C)c1 ZINC000067197965 215122568 /nfs/dbraw/zinc/12/25/68/215122568.db2.gz RXOOINQMKDQLIJ-HNNXBMFYSA-N 0 0 341.407 3.346 50 0 EGAARN Cc1ccc(-n2cc(C(=O)NCc3ccc(Cl)cc3)nn2)cc1C ZINC000067261894 215128998 /nfs/dbraw/zinc/12/89/98/215128998.db2.gz ZAEBQSQICNXCOY-UHFFFAOYSA-N 0 0 340.814 3.468 50 0 EGAARN CCN(CC)Cc1nnc2sc(Cc3ccc(Cl)cc3)nn12 ZINC000067239775 215126050 /nfs/dbraw/zinc/12/60/50/215126050.db2.gz UGCGUCOUGCGZOW-UHFFFAOYSA-N 0 0 335.864 3.272 50 0 EGAARN CCOc1cccc2c1OCC(=O)N(Cc1ccccc1OC)C2 ZINC000067323857 215133907 /nfs/dbraw/zinc/13/39/07/215133907.db2.gz SCMAATYCSPBIQH-UHFFFAOYSA-N 0 0 327.380 3.015 50 0 EGAARN COc1cc2ncc(C(=O)c3ccc(Cl)cc3)c(O)c2cc1OC ZINC000067340956 215135320 /nfs/dbraw/zinc/13/53/20/215135320.db2.gz KMNSTGODSMTIJS-UHFFFAOYSA-N 0 0 343.766 3.430 50 0 EGAARN O=C(Nc1cnc2n1CCCC2)C1(c2ccc(F)cc2)CCOCC1 ZINC000067696410 215189626 /nfs/dbraw/zinc/18/96/26/215189626.db2.gz FGURAHVHUXYROU-UHFFFAOYSA-N 0 0 343.402 3.045 50 0 EGAARN C[C@@H](Oc1ccccc1)C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067714405 215192055 /nfs/dbraw/zinc/19/20/55/215192055.db2.gz QLXVOLLFYPNIGP-CYBMUJFWSA-N 0 0 325.412 3.084 50 0 EGAARN C[C@H](Oc1ccccc1)C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067714404 215193760 /nfs/dbraw/zinc/19/37/60/215193760.db2.gz QLXVOLLFYPNIGP-ZDUSSCGKSA-N 0 0 325.412 3.084 50 0 EGAARN Cc1ccc(NC(=O)CCNC(=O)c2onc3ccccc32)c(F)c1 ZINC000067723069 215194770 /nfs/dbraw/zinc/19/47/70/215194770.db2.gz WVYNTHKGSYIGQC-UHFFFAOYSA-N 0 0 341.342 3.034 50 0 EGAARN Cc1[nH][nH]c(=O)c1Cc1nc(CC(C)C)nn1-c1cc(F)ccc1F ZINC000067690761 215186429 /nfs/dbraw/zinc/18/64/29/215186429.db2.gz VRPCFQDWJGXWIF-UHFFFAOYSA-N 0 0 347.369 3.072 50 0 EGAARN CCc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000002988947 209950310 /nfs/dbraw/zinc/95/03/10/209950310.db2.gz AMXPULFPXPDXMI-UHFFFAOYSA-N 0 0 346.814 3.036 50 0 EGAARN CCOC(=O)c1cnn(Cc2nc(-c3sccc3C)oc2C)c1 ZINC000067785929 215212278 /nfs/dbraw/zinc/21/22/78/215212278.db2.gz IRJFIODTSJOZCG-UHFFFAOYSA-N 0 0 331.397 3.441 50 0 EGAARN Cc1c[nH]c(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)n1 ZINC000067821563 215223365 /nfs/dbraw/zinc/22/33/65/215223365.db2.gz YEZBQGBPDKVHGS-INIZCTEOSA-N 0 0 349.438 3.436 50 0 EGAARN Cc1nc(CC(=O)N[C@H](C)c2ccccc2-n2cccn2)c(C)s1 ZINC000067821494 215223555 /nfs/dbraw/zinc/22/35/55/215223555.db2.gz OKUKIYVYDHGDPF-GFCCVEGCSA-N 0 0 340.452 3.366 50 0 EGAARN c1cn(-c2ncccc2CNc2ccc(-c3ccccc3)nn2)cn1 ZINC000067821726 215223610 /nfs/dbraw/zinc/22/36/10/215223610.db2.gz YXLOSRVUKPDNSZ-UHFFFAOYSA-N 0 0 328.379 3.336 50 0 EGAARN Clc1cc2c(cc1-c1nccn1CCCn1ccnc1)OCO2 ZINC000067803709 215216382 /nfs/dbraw/zinc/21/63/82/215216382.db2.gz UBFMVSULRFGECT-UHFFFAOYSA-N 0 0 330.775 3.219 50 0 EGAARN CCCCc1nc([C@@H]2CC(=O)Nc3c2cnn3CCC(C)C)c[nH]1 ZINC000067880600 215239295 /nfs/dbraw/zinc/23/92/95/215239295.db2.gz VYEWQEGADXBFER-CYBMUJFWSA-N 0 0 329.448 3.469 50 0 EGAARN Cc1[nH]c2ccccc2c1CC(=O)NCc1nnc(-c2ccccc2)o1 ZINC000067894643 215244301 /nfs/dbraw/zinc/24/43/01/215244301.db2.gz OATKCPBVWJLSOB-UHFFFAOYSA-N 0 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CCOCCn1nc(C)cc1C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000095359876 218293154 /nfs/dbraw/zinc/29/31/54/218293154.db2.gz GFCWMAXLEKBODE-SFHVURJKSA-N 0 0 341.455 3.378 50 0 EGAARN O=c1c2cccnc2ccn1Cc1nc(-c2ccccc2Cl)no1 ZINC000095355943 218289601 /nfs/dbraw/zinc/28/96/01/218289601.db2.gz IABLRURWRSORSP-UHFFFAOYSA-N 0 0 338.754 3.148 50 0 EGAARN Cc1ncsc1CCN(C)C(=O)[C@H](c1cccc(C)c1)N(C)C ZINC000095355517 218289674 /nfs/dbraw/zinc/28/96/74/218289674.db2.gz MSOFZOKWNLYHOZ-KRWDZBQOSA-N 0 0 331.485 3.064 50 0 EGAARN Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095358848 218291326 /nfs/dbraw/zinc/29/13/26/218291326.db2.gz MMOZRWNICPXDCY-QGZVFWFLSA-N 0 0 327.428 3.115 50 0 EGAARN O=C(Nc1cc2c(cc1[C@@H](O)c1ccccc1F)OCCO2)C1CC1 ZINC000009028650 211031633 /nfs/dbraw/zinc/03/16/33/211031633.db2.gz AIRRDFYXTNZHDQ-SFHVURJKSA-N 0 0 343.354 3.027 50 0 EGAARN Cc1nc2sccc2c(N[C@@H]2CCCN(C(=O)c3ccco3)C2)n1 ZINC000095363886 218297032 /nfs/dbraw/zinc/29/70/32/218297032.db2.gz 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Cc1ccc(N(C(=O)c2cccc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000005070860 210383924 /nfs/dbraw/zinc/38/39/24/210383924.db2.gz PMDBLMBOAVHJEN-GOSISDBHSA-N 0 0 341.432 3.261 50 0 EGAARN Cc1ccc(C(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000005071131 210383695 /nfs/dbraw/zinc/38/36/95/210383695.db2.gz PVCXHTAYDBAZBA-GOSISDBHSA-N 0 0 341.432 3.261 50 0 EGAARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-n2cnnn2)cc1 ZINC000005034614 210370374 /nfs/dbraw/zinc/37/03/74/210370374.db2.gz CFLFQSRKYLQRAO-UHFFFAOYSA-N 0 0 334.166 3.221 50 0 EGAARN Cc1ccc(CNC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 ZINC000005015939 210362176 /nfs/dbraw/zinc/36/21/76/210362176.db2.gz DCHDUHINELGRPT-SFHVURJKSA-N 0 0 337.423 3.051 50 0 EGAARN CC1=Nc2ncnn2[C@H](c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000004934899 210328661 /nfs/dbraw/zinc/32/86/61/210328661.db2.gz JSFGTMKPPJLUHX-GOSISDBHSA-N 0 0 346.390 3.310 50 0 EGAARN O=C(CSc1cn[nH]n1)N1c2ccccc2CCc2ccccc21 ZINC000004945291 210335482 /nfs/dbraw/zinc/33/54/82/210335482.db2.gz 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ZINC000097572164 219036683 /nfs/dbraw/zinc/03/66/83/219036683.db2.gz KHVWCACROCULDO-QGZVFWFLSA-N 0 0 342.443 3.312 50 0 EGAARN O=C1[C@@H]2CCc3[nH]c4ccccc4c3[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100250732 257870708 /nfs/dbraw/zinc/87/07/08/257870708.db2.gz VDMKGLWVNFFPMX-DNVCBOLYSA-N 0 0 330.387 3.383 50 0 EGAARN Cc1ccc2c(=O)c(-c3ccc(NS(C)(=O)=O)cc3)coc2c1C ZINC000409421803 257853635 /nfs/dbraw/zinc/85/36/35/257853635.db2.gz XMGNMNUDQVAFTF-UHFFFAOYSA-N 0 0 343.404 3.448 50 0 EGAARN CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2ncccc2N)c1 ZINC000426684368 257958578 /nfs/dbraw/zinc/95/85/78/257958578.db2.gz HAAFXXCDIIGXLP-KRWDZBQOSA-N 0 0 339.439 3.362 50 0 EGAARN O=C(NCC1(O)CCCCC1)c1ccc(-c2ccncc2F)cc1 ZINC000426412739 257968930 /nfs/dbraw/zinc/96/89/30/257968930.db2.gz IYNDCTURIGNMDL-UHFFFAOYSA-N 0 0 328.387 3.313 50 0 EGAARN Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000000118771 258047402 /nfs/dbraw/zinc/04/74/02/258047402.db2.gz PAPUMILVQPEKBB-MRXNPFEDSA-N 0 0 327.359 3.204 50 0 EGAARN Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000000118773 258047153 /nfs/dbraw/zinc/04/71/53/258047153.db2.gz PAPUMILVQPEKBB-INIZCTEOSA-N 0 0 327.359 3.204 50 0 EGAARN CCOc1ccc2nc(SCC(=O)c3nonc3C)sc2c1 ZINC000334160865 258016754 /nfs/dbraw/zinc/01/67/54/258016754.db2.gz NWJYPDQJVHKSFW-UHFFFAOYSA-N 0 0 335.410 3.361 50 0 EGAARN NC(=O)CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCC2 ZINC000299770463 258083378 /nfs/dbraw/zinc/08/33/78/258083378.db2.gz VVJSZTFKNQYRHO-UHFFFAOYSA-N 0 0 337.423 3.085 50 0 EGAARN CC[C@@H](Cn1ccnc1)NC(=O)Nc1c(C)cnn1C1CCCC1 ZINC000299770626 258083838 /nfs/dbraw/zinc/08/38/38/258083838.db2.gz TWROVTUHIBAUQM-AWEZNQCLSA-N 0 0 330.436 3.103 50 0 EGAARN CCOCCOc1ccccc1NC(=O)NCc1cnc(C)cc1C ZINC000299772460 258084897 /nfs/dbraw/zinc/08/48/97/258084897.db2.gz YMRLOQKTWGWSTL-UHFFFAOYSA-N 0 0 343.427 3.435 50 0 EGAARN Cc1ccc2[nH]c(CCC(=O)NCCC[C@H]3CCOC3)nc2c1C ZINC000299775581 258085791 /nfs/dbraw/zinc/08/57/91/258085791.db2.gz FAUBXGIUXNCOPS-HNNXBMFYSA-N 0 0 329.444 3.045 50 0 EGAARN Cc1cc(NC(=O)N(Cc2cnn(C)c2)C2CC2)n([C@H](C)C2CC2)n1 ZINC000299782692 258090689 /nfs/dbraw/zinc/09/06/89/258090689.db2.gz NHANLPKYCPBKGP-CYBMUJFWSA-N 0 0 342.447 3.093 50 0 EGAARN Cc1nccn1CCC1CCN(C(=O)Nc2ccnn2C(C)C)CC1 ZINC000299785351 258092319 /nfs/dbraw/zinc/09/23/19/258092319.db2.gz YNLKKHUKBDWXAK-UHFFFAOYSA-N 0 0 344.463 3.303 50 0 EGAARN Cc1nc([C@@H](C)NC(=O)CCNC(=O)c2ccc(C)cc2)c(C)s1 ZINC000299796941 258100805 /nfs/dbraw/zinc/10/08/05/258100805.db2.gz SSVUPWYSHRNHDD-GFCCVEGCSA-N 0 0 345.468 3.066 50 0 EGAARN Cc1nc(CNC(=O)c2cccc(-c3nc(C)c(C)s3)c2)no1 ZINC000299797044 258101079 /nfs/dbraw/zinc/10/10/79/258101079.db2.gz PFQCRRZLIQNSTM-UHFFFAOYSA-N 0 0 328.397 3.048 50 0 EGAARN CN(C[C@H]1COCCO1)C(=O)Nc1cccc(Cc2ccccc2)c1 ZINC000299797513 258102075 /nfs/dbraw/zinc/10/20/75/258102075.db2.gz PDLGHBNTBWRNTK-IBGZPJMESA-N 0 0 340.423 3.157 50 0 EGAARN CCCn1ncnc1[C@@H](C)NC(=O)Cc1c(C)[nH]c2c1cccc2F ZINC000299801704 258104845 /nfs/dbraw/zinc/10/48/45/258104845.db2.gz 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258057299 /nfs/dbraw/zinc/05/72/99/258057299.db2.gz RYCVFWHCBMPNPV-GFCCVEGCSA-N 0 0 335.285 3.105 50 0 EGAARN O=C(Cc1c[nH]c2ccccc12)NCCc1noc(C2CCCC2)n1 ZINC000215983960 258072392 /nfs/dbraw/zinc/07/23/92/258072392.db2.gz JUTPQDVEHIVSQT-UHFFFAOYSA-N 0 0 338.411 3.110 50 0 EGAARN Cc1cc(F)ccc1NC(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000299765984 258080811 /nfs/dbraw/zinc/08/08/11/258080811.db2.gz AHKYQYTXUXQUBD-UHFFFAOYSA-N 0 0 344.390 3.350 50 0 EGAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3C)CC2=O)cc1 ZINC000082120471 132819146 /nfs/dbraw/zinc/81/91/46/132819146.db2.gz DAEQPAVEORGULE-UHFFFAOYSA-N 0 0 342.826 3.446 50 0 EGAARN COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000000310715 135648771 /nfs/dbraw/zinc/64/87/71/135648771.db2.gz SJWMIFDTVWXQAZ-UHFFFAOYSA-N 0 0 337.828 3.490 50 0 EGAARN COc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000004747626 135666442 /nfs/dbraw/zinc/66/64/42/135666442.db2.gz GDFXXXHURDURDD-UHFFFAOYSA-N 0 0 335.407 3.139 50 0 EGAARN O=C1C[C@H](c2ccccc2F)c2sc(N3CCOCC3)nc2N1 ZINC000036357494 296539793 /nfs/dbraw/zinc/53/97/93/296539793.db2.gz FTODDELRKZUNSV-LLVKDONJSA-N 0 0 333.388 3.242 50 0 EGAARN COc1cc2c(cc1OC)C(=C(CCC(C)C)C(N)=O)NC(C)(C)C2 ZINC000004171717 286257738 /nfs/dbraw/zinc/25/77/38/286257738.db2.gz NZUCKEUJHKAFAD-CQSZACIVSA-N 0 0 346.471 3.365 50 0 EGAARN COc1cc2c(c3oc(=O)c4c(c13)CCCC4)C(=O)CC(C)(C)O2 ZINC000002135795 286252394 /nfs/dbraw/zinc/25/23/94/286252394.db2.gz JDIHSVZPBHAIOB-UHFFFAOYSA-N 0 0 328.364 3.424 50 0 biogenic EGAARN COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(C)=O)c3ncnn32)cc1 ZINC000004816722 286379418 /nfs/dbraw/zinc/37/94/18/286379418.db2.gz GQRRVDORNGVZDA-RTBURBONSA-N 0 0 348.406 3.374 50 0 EGAARN CCOc1cc(C)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000019943088 286555252 /nfs/dbraw/zinc/55/52/52/286555252.db2.gz IYOIMOLIGGPFBG-CHWSQXEVSA-N 0 0 325.474 3.369 50 0 EGAARN COCCC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1F ZINC000077457999 292384010 /nfs/dbraw/zinc/38/40/10/292384010.db2.gz BZIITYJVPIUYSF-CQSZACIVSA-N 0 0 329.437 3.104 50 0 EGAARN CSc1ccccc1N1C(=O)CN(C(=O)c2ccccc2)C[C@H]1C ZINC000011814197 286732584 /nfs/dbraw/zinc/73/25/84/286732584.db2.gz JEEPJQZYPZIVJC-CQSZACIVSA-N 0 0 340.448 3.286 50 0 EGAARN CCn1nc(C(C)C)cc1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000353112101 165627085 /nfs/dbraw/zinc/62/70/85/165627085.db2.gz NRFUVXISOGXUEZ-UHFFFAOYSA-N 0 0 338.415 3.372 50 0 EGAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000096347296 287296873 /nfs/dbraw/zinc/29/68/73/287296873.db2.gz HVXSSDYMJMQOKS-YPMHNXCESA-N 0 0 341.436 3.218 50 0 EGAARN C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1cc(F)ccc1F ZINC000002794020 452723398 /nfs/dbraw/zinc/72/33/98/452723398.db2.gz WAHBOSUJCOSHTB-QMMMGPOBSA-N 0 0 344.159 3.199 50 0 EGAARN CCCC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cs1 ZINC000019796534 275968329 /nfs/dbraw/zinc/96/83/29/275968329.db2.gz RYJRWARISYVFFP-SECBINFHSA-N 0 0 331.397 3.268 50 0 EGAARN CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000000178463 275968629 /nfs/dbraw/zinc/96/86/29/275968629.db2.gz IOHOQMPGMKTRKV-UHFFFAOYSA-N 0 0 337.423 3.148 50 0 EGAARN CCN1c2cc(Cl)ccc2S/C1=C1\OC(=S)N(C)C1=O ZINC000097601834 276254391 /nfs/dbraw/zinc/25/43/91/276254391.db2.gz WCVJRUSUQMLVRW-BENRWUELSA-N 0 0 326.830 3.215 50 0 EGAARN CCOc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 ZINC000000523894 276376237 /nfs/dbraw/zinc/37/62/37/276376237.db2.gz TUOXMPAIXYGEPE-DLBZAZTESA-N 0 0 335.411 3.405 50 0 EGAARN CCOc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 ZINC000000523891 276376819 /nfs/dbraw/zinc/37/68/19/276376819.db2.gz TUOXMPAIXYGEPE-SJORKVTESA-N 0 0 335.411 3.405 50 0 EGAARN COc1ccc([C@H]2CC(=O)NCc3nc4ccc(C)cn4c32)cc1C ZINC000065429084 277429916 /nfs/dbraw/zinc/42/99/16/277429916.db2.gz LEQUNQAAHYEPIU-OAHLLOKOSA-N 0 0 335.407 3.112 50 0 EGAARN COc1ccccc1NC(=O)c1c2c(sc1NC(C)=O)CCC2 ZINC000000127323 277470438 /nfs/dbraw/zinc/47/04/38/277470438.db2.gz WHEXFLZMMKMVLX-UHFFFAOYSA-N 0 0 330.409 3.456 50 0 EGAARN COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 ZINC000030725153 277852747 /nfs/dbraw/zinc/85/27/47/277852747.db2.gz KDFKJOFJHSVROC-INIZCTEOSA-N 0 0 341.407 3.074 50 0 biogenic,in-vitro EGAARN COc1ccc(/C=c2\sc3nc4c(cc(C)cc4C)n3c2=O)cc1 ZINC000008657284 277868979 /nfs/dbraw/zinc/86/89/79/277868979.db2.gz KNPPKKWHCUWAGE-YBEGLDIGSA-N 0 0 336.416 3.082 50 0 EGAARN COc1ccc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)cc1 ZINC000000179541 277869082 /nfs/dbraw/zinc/86/90/82/277869082.db2.gz BWLRCADGVYBQKV-YBEGLDIGSA-N 0 0 336.416 3.082 50 0 EGAARN CC1(C)C[C@H](NC(=O)C2CCC2)C[C@@](C)(CNC(=O)C2CCC2)C1 ZINC000002771541 278379009 /nfs/dbraw/zinc/37/90/09/278379009.db2.gz DFQANAGHNDTRAE-OXJNMPFZSA-N 0 0 334.504 3.404 50 0 EGAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cc(C)nc3ccccc32)N1 ZINC000004178930 278509896 /nfs/dbraw/zinc/50/98/96/278509896.db2.gz VCSYXUBRKSPCBR-OAHLLOKOSA-N 0 0 337.301 3.016 50 0 EGAARN CC1=NN(C(=S)Nc2ccc(F)cc2)[C@]2(O)C[C@@H]3[C@H]([C@@H]12)C3(C)C ZINC000000486329 278510311 /nfs/dbraw/zinc/51/03/11/278510311.db2.gz NBEDDHCHYMEBLM-WBOJAVRRSA-N 0 0 333.432 3.195 50 0 biogenic EGAARN Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)no1 ZINC000018195005 278733474 /nfs/dbraw/zinc/73/34/74/278733474.db2.gz DCYGBDGDVGGPKL-UHFFFAOYSA-N 0 0 328.397 3.306 50 0 EGAARN Cc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000000080491 278831583 /nfs/dbraw/zinc/83/15/83/278831583.db2.gz SWGIDEBRXOAUQV-OAHLLOKOSA-N 0 0 346.452 3.097 50 0 EGAARN Cc1ccc2c(c1)CCCN2C(=O)c1nn2cccnc2c1Cl ZINC000002791284 278871558 /nfs/dbraw/zinc/87/15/58/278871558.db2.gz XKWYCCBCELJQKL-UHFFFAOYSA-N 0 0 326.787 3.284 50 0 EGAARN Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000020898789 279058418 /nfs/dbraw/zinc/05/84/18/279058418.db2.gz ATNWIUDQMFVCQM-GFCCVEGCSA-N 0 0 338.230 3.255 50 0 EGAARN Ic1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC000091297441 279475189 /nfs/dbraw/zinc/47/51/89/279475189.db2.gz BANHPSSSKHRVFC-LBPRGKRZSA-N 0 0 328.153 3.340 50 0 EGAARN NC(=O)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1F ZINC000067298365 279598032 /nfs/dbraw/zinc/59/80/32/279598032.db2.gz PDIAIHXEFXKMDC-SILNSSARSA-N 0 0 332.718 3.262 50 0 EGAARN Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccccn4)nc3c12 ZINC000013630055 280223861 /nfs/dbraw/zinc/22/38/61/280223861.db2.gz USUQLXRDKOOUFO-UHFFFAOYSA-N 0 0 347.407 3.204 50 0 EGAARN O=C1NC[C@@H](c2ccc(Cl)cc2)Cc2nc(-c3ccccn3)[nH]c21 ZINC000065381574 280291892 /nfs/dbraw/zinc/29/18/92/280291892.db2.gz QWWNPRCHSDZXPD-LBPRGKRZSA-N 0 0 338.798 3.195 50 0 EGAARN Cc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2N)cc1 ZINC000016649800 280914930 /nfs/dbraw/zinc/91/49/30/280914930.db2.gz PVXSTWUZFPEVDW-UHFFFAOYSA-N 0 0 327.775 3.064 50 0 EGAARN Cc1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005438614 281352018 /nfs/dbraw/zinc/35/20/18/281352018.db2.gz WNXZJZUZVYJJLB-UHFFFAOYSA-N 0 0 344.436 3.177 50 0 EGAARN CC1=C(C(=O)OC(C)C)[C@H](c2c(F)cccc2Cl)CC(=O)N1 ZINC000000110039 281656839 /nfs/dbraw/zinc/65/68/39/281656839.db2.gz WXNRFVHGBCKMLO-SNVBAGLBSA-N 0 0 325.767 3.308 50 0 EGAARN CN(C)C(=O)CC[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071753848 288952538 /nfs/dbraw/zinc/95/25/38/288952538.db2.gz KRATWRNKQDUDPR-OAQYLSRUSA-N 0 0 336.435 3.012 50 0 EGAARN CN1C(=O)CC[C@@H](C(=O)N2CCCCCC2)[C@@H]1c1ccccc1F ZINC000057355175 289791847 /nfs/dbraw/zinc/79/18/47/289791847.db2.gz CMVOQOMMZJDBCD-QAPCUYQASA-N 0 0 332.419 3.138 50 0 EGAARN O=C(/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl)N1CCOCC1 ZINC000003075368 295390688 /nfs/dbraw/zinc/39/06/88/295390688.db2.gz AULSSZLBJWQXEV-FNORWQNLSA-N 0 0 339.433 3.420 50 0 EGAARN Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(Cl)cc1)cn2C ZINC000004193342 301913215 /nfs/dbraw/zinc/91/32/15/301913215.db2.gz VBOLXQGZWYGIDJ-UHFFFAOYSA-N 0 0 347.823 3.333 50 0 EGAARN Cc1nn(C)c(C(=O)N2c3ccccc3C[C@@H]2C)c1Br ZINC000002767606 302735127 /nfs/dbraw/zinc/73/51/27/302735127.db2.gz HPZLCYWJYQKNIN-VIFPVBQESA-N 0 0 334.217 3.082 50 0 EGAARN COc1cccc(SCC(=O)NCCc2nc3ccccc3o2)c1 ZINC000564086493 316111943 /nfs/dbraw/zinc/11/19/43/316111943.db2.gz VDCCUQWXWDTHAA-UHFFFAOYSA-N 0 0 342.420 3.287 50 0 EGAARN O=Cc1cc(F)c(Br)cc1I ZINC000238584397 455258942 /nfs/dbraw/zinc/25/89/42/455258942.db2.gz 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CCOCC1(CNC(=O)Nc2cc(NC(C)=O)ccc2F)CCC1 ZINC000096162612 454295639 /nfs/dbraw/zinc/29/56/39/454295639.db2.gz BYQPGNSHHUUTES-UHFFFAOYSA-N 0 0 337.395 3.112 50 0 EGAARN Cc1nc(CCCNC(=O)Nc2ccc3c(c2)OCCO3)sc1C ZINC000096180492 454298113 /nfs/dbraw/zinc/29/81/13/454298113.db2.gz BHHNMOVAXCXPMZ-UHFFFAOYSA-N 0 0 347.440 3.285 50 0 EGAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc43)C2)cc1 ZINC000096344889 454319097 /nfs/dbraw/zinc/31/90/97/454319097.db2.gz UMBSMLDVXPOQOA-CQSZACIVSA-N 0 0 348.406 3.117 50 0 EGAARN O=C(NCCOc1ccccc1)c1cc(OCc2ccccc2)no1 ZINC000090610033 454327258 /nfs/dbraw/zinc/32/72/58/454327258.db2.gz CHAKBJWJIKDHHU-UHFFFAOYSA-N 0 0 338.363 3.062 50 0 EGAARN O=C(CCSc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1 ZINC000090611465 454327265 /nfs/dbraw/zinc/32/72/65/454327265.db2.gz ZVYBTPZZFCBAJC-HXUWFJFHSA-N 0 0 341.476 3.205 50 0 EGAARN Cc1nnc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)s1 ZINC000061720169 454352200 /nfs/dbraw/zinc/35/22/00/454352200.db2.gz UZXBDSUHZBQKAE-UHFFFAOYSA-N 0 0 327.413 3.408 50 0 EGAARN Cn1nc2c(c1NC(=O)CCn1ccc3ccc(F)cc31)CSC2 ZINC000061719850 454352578 /nfs/dbraw/zinc/35/25/78/454352578.db2.gz WQPXMQDPKWXCSP-UHFFFAOYSA-N 0 0 344.415 3.290 50 0 EGAARN Cc1ccccc1CSc1nnc(NC(=O)[C@@H]2CCCO2)s1 ZINC000061997263 454364969 /nfs/dbraw/zinc/36/49/69/454364969.db2.gz NUXLHFVYGZTISP-LBPRGKRZSA-N 0 0 335.454 3.256 50 0 EGAARN O=C(c1ccc(F)c(F)c1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000062141209 454368328 /nfs/dbraw/zinc/36/83/28/454368328.db2.gz BHAAJKKCEZROQL-CYBMUJFWSA-N 0 0 331.318 3.323 50 0 EGAARN CCCCc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 ZINC000047986619 454429722 /nfs/dbraw/zinc/42/97/22/454429722.db2.gz MZOSPWCLIQGAAG-UHFFFAOYSA-N 0 0 331.460 3.361 50 0 EGAARN CN(Cc1ccc2nonc2c1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000091575320 454445987 /nfs/dbraw/zinc/44/59/87/454445987.db2.gz JAFZQUSQWSGLKJ-UHFFFAOYSA-N 0 0 325.343 3.052 50 0 EGAARN O=C(c1ccccc1-n1cnnc1)N1CCCC[C@H]1c1cccnc1 ZINC000097759284 454446190 /nfs/dbraw/zinc/44/61/90/454446190.db2.gz RRKYVLPCLYDAII-KRWDZBQOSA-N 0 0 333.395 3.030 50 0 EGAARN CCC(=O)Nc1cccc(C(=O)NCCCN(C)c2ccccc2)c1 ZINC000048163010 454450445 /nfs/dbraw/zinc/45/04/45/454450445.db2.gz RYXONJBQAGXULL-UHFFFAOYSA-N 0 0 339.439 3.291 50 0 EGAARN O=C(Cn1cnc2ccccc21)Nc1nn(CC2CC2)c2ccccc21 ZINC000048488325 454493555 /nfs/dbraw/zinc/49/35/55/454493555.db2.gz GTNCFRXYICXUDQ-UHFFFAOYSA-N 0 0 345.406 3.435 50 0 EGAARN COc1ccccc1-c1cc2c(=O)n(Cc3ccc(F)cc3)ccn2n1 ZINC000064977355 454520303 /nfs/dbraw/zinc/52/03/03/454520303.db2.gz GXQIBVVZAACZSJ-UHFFFAOYSA-N 0 0 349.365 3.359 50 0 EGAARN CCc1ccc(CNC(=O)c2snc(-c3ccccn3)c2N)cc1 ZINC000065149886 454532447 /nfs/dbraw/zinc/53/24/47/454532447.db2.gz IULCTYLZOCLOFX-UHFFFAOYSA-N 0 0 338.436 3.280 50 0 EGAARN Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1 ZINC000065185584 454536586 /nfs/dbraw/zinc/53/65/86/454536586.db2.gz PGCJQOGDSXHPFE-UHFFFAOYSA-N 0 0 333.351 3.389 50 0 EGAARN COc1cccc2c1OCC(=O)N(c1cccc(Br)c1)C2 ZINC000065184484 454536789 /nfs/dbraw/zinc/53/67/89/454536789.db2.gz 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3.198 50 0 EGAARN Cc1cc(NC(=O)CSc2cc(-c3ccccc3)ncn2)on1 ZINC000036709720 213112690 /nfs/dbraw/zinc/11/26/90/213112690.db2.gz CFBLTZMMWKTBNM-UHFFFAOYSA-N 0 0 326.381 3.171 50 0 EGAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(OC)cc2)cc1 ZINC000036559065 213099577 /nfs/dbraw/zinc/09/95/77/213099577.db2.gz PRIBJFXMUYCWEO-KRWDZBQOSA-N 0 0 349.390 3.364 50 0 EGAARN O=C(CN1CCc2ccccc2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000036368066 213092145 /nfs/dbraw/zinc/09/21/45/213092145.db2.gz ACPVSAMQFPYNOK-UHFFFAOYSA-N 0 0 345.446 3.111 50 0 biogenic EGAARN O=C(CC1(Cn2cnnn2)CCCCC1)NCCC1=CCCCC1 ZINC000036366033 213090506 /nfs/dbraw/zinc/09/05/06/213090506.db2.gz JFPROFAEQHRJDC-UHFFFAOYSA-N 0 0 331.464 3.020 50 0 EGAARN Cc1c(-c2nn3c(nnc3-c3cc(Cl)ccc3F)s2)cnn1C ZINC000036356989 213088873 /nfs/dbraw/zinc/08/88/73/213088873.db2.gz NSYVMCJVXAOHKT-UHFFFAOYSA-N 0 0 348.794 3.354 50 0 EGAARN CC(=O)c1cn(CCC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000070666449 215703205 /nfs/dbraw/zinc/70/32/05/215703205.db2.gz AYEBSROEYGMGMX-HNNXBMFYSA-N 0 0 342.439 3.308 50 0 biogenic EGAARN CCc1ccc([C@H](CNC(=O)c2ccccc2)N2CCOCC2)cc1 ZINC000036097932 213065935 /nfs/dbraw/zinc/06/59/35/213065935.db2.gz FJYATFDKVRNIDT-FQEVSTJZSA-N 0 0 338.451 3.052 50 0 EGAARN Cc1ccc(C(=O)NCCCc2nc(-c3cccs3)no2)cc1 ZINC000035681727 213045884 /nfs/dbraw/zinc/04/58/84/213045884.db2.gz QMTRQFLHHRTFET-UHFFFAOYSA-N 0 0 327.409 3.469 50 0 EGAARN O=C([O-])c1cn(-c2cc[nH+]cc2)nc1-c1ccccc1Br ZINC000035779463 213048435 /nfs/dbraw/zinc/04/84/35/213048435.db2.gz GLJQPTZVPKDCOR-UHFFFAOYSA-N 0 0 344.168 3.395 50 0 EGAARN Cc1ccc(-c2noc(CCNC(=O)c3ccc(F)cc3)n2)cc1 ZINC000035672886 213044741 /nfs/dbraw/zinc/04/47/41/213044741.db2.gz VWWKAGDONJSIFK-UHFFFAOYSA-N 0 0 325.343 3.157 50 0 EGAARN Cc1cc2c(nc1C)oc1c2ncnc1N(CCO)Cc1ccccc1 ZINC000071279938 215750224 /nfs/dbraw/zinc/75/02/24/215750224.db2.gz SANMXBBSDJNNPG-UHFFFAOYSA-N 0 0 348.406 3.387 50 0 EGAARN CN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1F ZINC000071415958 215770648 /nfs/dbraw/zinc/77/06/48/215770648.db2.gz WMPUEWQPHSLICO-UHFFFAOYSA-N 0 0 344.205 3.413 50 0 EGAARN CCOC(=O)N1CCC(n2ccnc2-c2nccn2C(C)C)CC1 ZINC000071735574 215800337 /nfs/dbraw/zinc/80/03/37/215800337.db2.gz XRWLQRXUHZYYCE-UHFFFAOYSA-N 0 0 331.420 3.121 50 0 EGAARN Cc1ccc(-c2nnc(SCC(=O)Nc3nccs3)o2)cc1 ZINC000000428201 209593445 /nfs/dbraw/zinc/59/34/45/209593445.db2.gz IVZIYXCGKMBMFK-UHFFFAOYSA-N 0 0 332.410 3.232 50 0 EGAARN O=C(CCn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071763131 215818870 /nfs/dbraw/zinc/81/88/70/215818870.db2.gz MONWNJQHDHTYIP-KRWDZBQOSA-N 0 0 329.419 3.284 50 0 EGAARN C[C@H](CCc1ccccc1)NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000033088786 212897575 /nfs/dbraw/zinc/89/75/75/212897575.db2.gz RIRCBSVJBHIJFK-OAHLLOKOSA-N 0 0 346.430 3.309 50 0 EGAARN Cc1ccc(N2C[C@H](Nc3cc(C(C)C)nc4ccnn43)CC2=O)cc1 ZINC000072128988 216019526 /nfs/dbraw/zinc/01/95/26/216019526.db2.gz RILBAUVXUPYPFJ-OAHLLOKOSA-N 0 0 349.438 3.379 50 0 EGAARN COc1cc(-c2nccn2-c2ccc(C)nc2)cc(OC)c1OC ZINC000072134620 216023980 /nfs/dbraw/zinc/02/39/80/216023980.db2.gz QEHKUPSAWZUKCH-UHFFFAOYSA-N 0 0 325.368 3.269 50 0 EGAARN O=C(COc1ccccc1O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072150893 216039262 /nfs/dbraw/zinc/03/92/62/216039262.db2.gz HGZIDEMYVLOTER-MRXNPFEDSA-N 0 0 344.386 3.013 50 0 EGAARN Cc1ccc(CN(C)C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)o1 ZINC000072151883 216040402 /nfs/dbraw/zinc/04/04/02/216040402.db2.gz RMYXXPWGOHBXQA-UHFFFAOYSA-N 0 0 344.802 3.153 50 0 EGAARN Cc1cnn(CC2CCN(c3cc(C(C)C)nc4ccnn43)CC2)c1 ZINC000072153733 216041877 /nfs/dbraw/zinc/04/18/77/216041877.db2.gz HXRMGRZWCIDATM-UHFFFAOYSA-N 0 0 338.459 3.274 50 0 EGAARN Cn1ncc2c1nc(C1CCCC1)nc2N[C@H](CO)c1ccccc1 ZINC000072155927 216046022 /nfs/dbraw/zinc/04/60/22/216046022.db2.gz UIEFDMLKYJTCHD-MRXNPFEDSA-N 0 0 337.427 3.166 50 0 EGAARN NC(=O)c1cccc(C[C@H]2CCN(C(=O)c3ccccc3Cl)C2)c1 ZINC000072168304 216058762 /nfs/dbraw/zinc/05/87/62/216058762.db2.gz ZXRFGVQZCGKQJB-CQSZACIVSA-N 0 0 342.826 3.144 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)Oc2c(OC)cccc2OC)cc1 ZINC000000401886 209569886 /nfs/dbraw/zinc/56/98/86/209569886.db2.gz QYGXXSRIIMQIOK-UHFFFAOYSA-N 0 0 345.351 3.491 50 0 EGAARN COc1ccc(OC)c(NC(=O)Oc2cccc(NC(C)=O)c2)c1 ZINC000000400306 209569617 /nfs/dbraw/zinc/56/96/17/209569617.db2.gz ZHYHGZVIQZZLOM-UHFFFAOYSA-N 0 0 330.340 3.273 50 0 EGAARN COc1ccc(Cl)cc1-c1nc(N)nc(NCc2ccccc2)n1 ZINC000000389252 209565877 /nfs/dbraw/zinc/56/58/77/209565877.db2.gz CXVKPKPZUYEDAW-UHFFFAOYSA-N 0 0 341.802 3.395 50 0 EGAARN O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000382578 209560890 /nfs/dbraw/zinc/56/08/90/209560890.db2.gz CZRQUKBKNFYOIT-LLVKDONJSA-N 0 0 334.828 3.071 50 0 EGAARN COc1ccccc1C(=O)NC(=S)Nc1cccc(C(C)=O)c1 ZINC000000361142 209550863 /nfs/dbraw/zinc/55/08/63/209550863.db2.gz BIWZPRGBWACZAY-UHFFFAOYSA-N 0 0 328.393 3.025 50 0 EGAARN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000000298891 209522779 /nfs/dbraw/zinc/52/27/79/209522779.db2.gz WJQPTAVUAWEPCK-NSHDSACASA-N 0 0 340.242 3.489 50 0 EGAARN O=C(c1ccccc1I)N1CCCCCC1 ZINC000000288517 209519045 /nfs/dbraw/zinc/51/90/45/209519045.db2.gz XLUNTTMOSXUTDC-UHFFFAOYSA-N 0 0 329.181 3.307 50 0 EGAARN CC(C)n1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc2c1=O ZINC000072325273 216151532 /nfs/dbraw/zinc/15/15/32/216151532.db2.gz OCFZIBFUHKDDDN-AWEZNQCLSA-N 0 0 342.439 3.270 50 0 biogenic EGAARN O=C(NCc1ccco1)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329068 216153794 /nfs/dbraw/zinc/15/37/94/216153794.db2.gz VHGAYYZOOVTCBR-UHFFFAOYSA-N 0 0 346.184 3.362 50 0 EGAARN O=C(NC[C@@H]1CCCO1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000000217704 209490886 /nfs/dbraw/zinc/49/08/86/209490886.db2.gz UPYVSHQVIJPUAD-HNNXBMFYSA-N 0 0 333.391 3.206 50 0 EGAARN COc1ccc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc43)cnc2c1 ZINC000072404488 216195765 /nfs/dbraw/zinc/19/57/65/216195765.db2.gz VXHQTPFGDZQOME-GOSISDBHSA-N 0 0 347.374 3.057 50 0 EGAARN O=C(Nc1cccnc1-n1cc(Br)cn1)c1ccccc1 ZINC000072402003 216194135 /nfs/dbraw/zinc/19/41/35/216194135.db2.gz ZXKMJEOVVDBBAU-UHFFFAOYSA-N 0 0 343.184 3.282 50 0 EGAARN COc1ccc(NC(=O)c2cc3c(c(OC)ccc3OC)n2C)cc1 ZINC000072401109 216194356 /nfs/dbraw/zinc/19/43/56/216194356.db2.gz YSCWHGOOHZUZSD-UHFFFAOYSA-N 0 0 340.379 3.456 50 0 EGAARN COc1ccccc1CNC(=O)c1cccc(-n2nc(C)cc2C)c1 ZINC000072402963 216194878 /nfs/dbraw/zinc/19/48/78/216194878.db2.gz GBIMZYYCJWGQLC-UHFFFAOYSA-N 0 0 335.407 3.428 50 0 EGAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000072403643 216195087 /nfs/dbraw/zinc/19/50/87/216195087.db2.gz IMLLMAUKHTYJII-HXUWFJFHSA-N 0 0 347.418 3.301 50 0 EGAARN Cc1cc(CC(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)on1 ZINC000072409388 216201612 /nfs/dbraw/zinc/20/16/12/216201612.db2.gz CTMVWHLVUGOSSH-MRXNPFEDSA-N 0 0 342.374 3.295 50 0 EGAARN Cc1nn2c(nc(C)cc2N[C@@H](C)c2nc(-c3cccnc3)no2)c1C ZINC000072418741 216206116 /nfs/dbraw/zinc/20/61/16/216206116.db2.gz NJKALITWOTVYFB-ZDUSSCGKSA-N 0 0 349.398 3.273 50 0 EGAARN O=C(c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1 ZINC000000080296 209405645 /nfs/dbraw/zinc/40/56/45/209405645.db2.gz IAYWBVIDKMYRNY-UHFFFAOYSA-N 0 0 341.411 3.398 50 0 EGAARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000000092018 209415234 /nfs/dbraw/zinc/41/52/34/209415234.db2.gz ZRBPKCQAQMWXKY-NSHDSACASA-N 0 0 332.762 3.471 50 0 EGAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2ncccc2C1 ZINC000072421624 216210111 /nfs/dbraw/zinc/21/01/11/216210111.db2.gz RLTWBGBUVAOWCJ-UHFFFAOYSA-N 0 0 346.434 3.012 50 0 EGAARN Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCCC3=O)n2n1 ZINC000072423290 216211101 /nfs/dbraw/zinc/21/11/01/216211101.db2.gz TVBJUJMYBSOAIG-UHFFFAOYSA-N 0 0 349.438 3.129 50 0 EGAARN CCc1cc(NCCSCc2[nH]cnc2C)n2nc(C)c(C)c2n1 ZINC000072424117 216213165 /nfs/dbraw/zinc/21/31/65/216213165.db2.gz MWERDPNFILNTOF-UHFFFAOYSA-N 0 0 344.488 3.285 50 0 EGAARN CCc1cc(NCc2noc(C3CCC3)n2)n2nc(C)c(C)c2n1 ZINC000072423512 216213313 /nfs/dbraw/zinc/21/33/13/216213313.db2.gz VBLKNKSJTZJTLZ-UHFFFAOYSA-N 0 0 326.404 3.171 50 0 EGAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 ZINC000000062556 209395385 /nfs/dbraw/zinc/39/53/85/209395385.db2.gz DFXQJHXGPXICEB-CQSZACIVSA-N 0 0 326.371 3.380 50 0 EGAARN CC(C)(O)CCc1cccc(C(=O)N2CCc3c(O)cccc3C2)c1 ZINC000072425287 216214656 /nfs/dbraw/zinc/21/46/56/216214656.db2.gz VSLBXTWSHGLHTM-UHFFFAOYSA-N 0 0 339.435 3.294 50 0 EGAARN NC(=O)c1cccnc1N1CCC[C@H](CCc2ccccc2F)C1 ZINC000072424963 216215339 /nfs/dbraw/zinc/21/53/39/216215339.db2.gz OHJAOGMGSFSERJ-CQSZACIVSA-N 0 0 327.403 3.169 50 0 EGAARN Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)c1C ZINC000000049118 209388794 /nfs/dbraw/zinc/38/87/94/209388794.db2.gz XYEZQTOSNUBJOZ-UHFFFAOYSA-N 0 0 344.362 3.182 50 0 EGAARN Cc1ccc(NC(=O)C[C@@H]2COCCN2Cc2ccoc2)cc1Cl ZINC000072454818 216242467 /nfs/dbraw/zinc/24/24/67/216242467.db2.gz KEXFMSOILQHRHE-MRXNPFEDSA-N 0 0 348.830 3.471 50 0 EGAARN CCCn1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1C ZINC000072462557 216245103 /nfs/dbraw/zinc/24/51/03/216245103.db2.gz BDYJAJHIZHSOEV-UHFFFAOYSA-N 0 0 337.427 3.059 50 0 EGAARN CC(C)c1noc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 ZINC000072463017 216245428 /nfs/dbraw/zinc/24/54/28/216245428.db2.gz HFPAZOBIMSAMNW-ZDUSSCGKSA-N 0 0 345.443 3.388 50 0 EGAARN Cc1ccc(Sc2ccc(CN3CCC[C@@](O)(CO)C3)o2)cc1 ZINC000072478742 216256281 /nfs/dbraw/zinc/25/62/81/216256281.db2.gz FLQGBSTUGZDDCB-SFHVURJKSA-N 0 0 333.453 3.058 50 0 EGAARN Cc1nc(C)n(CCCNc2cc(-c3ccccc3)nc3ccnn32)n1 ZINC000072478997 216257916 /nfs/dbraw/zinc/25/79/16/216257916.db2.gz GMWJPEAMAWRGMS-UHFFFAOYSA-N 0 0 347.426 3.107 50 0 EGAARN CC(C)c1csc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 ZINC000023505191 212379977 /nfs/dbraw/zinc/37/99/77/212379977.db2.gz CIFAMWCFTUSXRR-OAHLLOKOSA-N 0 0 347.459 3.296 50 0 EGAARN CCn1c2ccccc2nc1-c1nc2c[nH]n(Cc3ccncc3)c-2n1 ZINC000023430781 212377470 /nfs/dbraw/zinc/37/74/70/212377470.db2.gz DPHZXRGEEYETOA-UHFFFAOYSA-N 0 0 343.394 3.239 50 0 EGAARN CCCn1cc(CN2CCO[C@@H](CCc3ccccc3)C2)c(C)n1 ZINC000023339106 212369129 /nfs/dbraw/zinc/36/91/29/212369129.db2.gz RLNRGXCJPJXSNB-FQEVSTJZSA-N 0 0 327.472 3.435 50 0 EGAARN 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/nfs/dbraw/zinc/23/48/17/211234817.db2.gz QXZOGIJGWVWLSN-UHFFFAOYSA-N 0 0 330.775 3.321 50 0 EGAARN CC1(C)C[C@@H](c2cn(Cc3c[nH]nc3-c3cccs3)nn2)CCO1 ZINC000091755725 218060565 /nfs/dbraw/zinc/06/05/65/218060565.db2.gz RHOKZMJQFDLITJ-LBPRGKRZSA-N 0 0 343.456 3.451 50 0 EGAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc2c(c1)OCO2 ZINC000011613443 211225444 /nfs/dbraw/zinc/22/54/44/211225444.db2.gz FOPCAIYDDVNSLN-UHFFFAOYSA-N 0 0 340.310 3.139 50 0 EGAARN O=C(C1CCCC1)N1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091915443 218088334 /nfs/dbraw/zinc/08/83/34/218088334.db2.gz RLCNVNUZIQNEAG-FQEVSTJZSA-N 0 0 332.488 3.350 50 0 EGAARN CCOCCC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000091860724 218079606 /nfs/dbraw/zinc/07/96/06/218079606.db2.gz SGCWXTBAHFBUBA-NSHDSACASA-N 0 0 337.370 3.063 50 0 EGAARN CN(Cc1nc2ccccc2s1)C(=O)c1cn2ccsc2n1 ZINC000091907610 218087389 /nfs/dbraw/zinc/08/73/89/218087389.db2.gz KHUCRVOJJGWRTA-UHFFFAOYSA-N 0 0 328.422 3.278 50 0 EGAARN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 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Cc1noc([C@H]2CCN(C(=O)c3cc4c(s3)CCCCC4)C2)n1 ZINC000299757219 258075408 /nfs/dbraw/zinc/07/54/08/258075408.db2.gz JOCCUKONVKXKMX-ZDUSSCGKSA-N 0 0 331.441 3.338 50 0 EGAARN CN(C)c1cccc(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)c1 ZINC000299759046 258076813 /nfs/dbraw/zinc/07/68/13/258076813.db2.gz MYIPXSYXAVTGNA-PMACEKPBSA-N 0 0 338.451 3.453 50 0 EGAARN Cc1cc(S(=O)(=O)n2cccn2)c(C(C)C)cc1Br ZINC000032602065 291980889 /nfs/dbraw/zinc/98/08/89/291980889.db2.gz JKESVVINSFPMPF-UHFFFAOYSA-N 0 0 343.246 3.314 50 0 EGAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000055062741 132193321 /nfs/dbraw/zinc/19/33/21/132193321.db2.gz ZTJRBFZFLZDYIP-UHFFFAOYSA-N 0 0 343.858 3.409 50 0 EGAARN COc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)c(C)c1 ZINC000057472031 132200806 /nfs/dbraw/zinc/20/08/06/132200806.db2.gz LRUKWRPZBGRNCY-UHFFFAOYSA-N 0 0 339.391 3.140 50 0 EGAARN Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccccc4)CC3)c2c1 ZINC000035439876 132390334 /nfs/dbraw/zinc/39/03/34/132390334.db2.gz UYKAFLHKPAOFAT-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/67/06/74/285670674.db2.gz DGDDGTWDNWVKQH-INIZCTEOSA-N 0 0 326.400 3.254 50 0 EGAARN O=C1C[C@@H](c2ccccc2F)c2sc(N3CCOCC3)nc2N1 ZINC000036357493 296539671 /nfs/dbraw/zinc/53/96/71/296539671.db2.gz FTODDELRKZUNSV-NSHDSACASA-N 0 0 333.388 3.242 50 0 EGAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C(C)C)cc(F)c1O ZINC000065381862 286247811 /nfs/dbraw/zinc/24/78/11/286247811.db2.gz BMSDVQJWOHFCAC-LLVKDONJSA-N 0 0 333.363 3.100 50 0 EGAARN c1ccc(C[N@@H+]2CCCO[C@@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000340047186 155081742 /nfs/dbraw/zinc/08/17/42/155081742.db2.gz MLEVPDAWDZMPCT-GOSISDBHSA-N 0 0 341.407 3.085 50 0 EGAARN CCSc1nnc2c(n1)O[C@@H](C)N(C(=O)CC)c1ccccc1-2 ZINC000000199552 286723830 /nfs/dbraw/zinc/72/38/30/286723830.db2.gz KKNGRTKFECVGBT-JTQLQIEISA-N 0 0 330.413 3.132 50 0 EGAARN C[C@@H]1CN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)C[C@H]1O ZINC000352063569 165216816 /nfs/dbraw/zinc/21/68/16/165216816.db2.gz PCIIJVPMDQNOKQ-FZKQIMNGSA-N 0 0 344.386 3.249 50 0 EGAARN COc1nc(N(C)C)nc(N(C)c2cc(Cl)cc(Cl)c2)n1 ZINC000000243674 452546086 /nfs/dbraw/zinc/54/60/86/452546086.db2.gz QCRRIYAPLBLGSC-UHFFFAOYSA-N 0 0 328.203 3.021 50 0 EGAARN COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(OC)c(OC)cc3[C@H]1O2 ZINC000035324831 274134795 /nfs/dbraw/zinc/13/47/95/274134795.db2.gz CXBUZJNCDPSBIT-APBUJDDRSA-N 0 0 341.363 3.320 50 0 EGAARN Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)o1 ZINC000000168269 275368829 /nfs/dbraw/zinc/36/88/29/275368829.db2.gz UGFRFEQDUJGGAA-UHFFFAOYSA-N 0 0 335.113 3.488 50 0 aggregator EGAARN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2O)N1 ZINC000004903166 275969706 /nfs/dbraw/zinc/96/97/06/275969706.db2.gz LBPIUZRKBGNFFJ-OAHLLOKOSA-N 0 0 344.333 3.425 50 0 EGAARN CCOc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)cc1 ZINC000013127525 276376614 /nfs/dbraw/zinc/37/66/14/276376614.db2.gz YEIHYELBQSIPCC-DLBZAZTESA-N 0 0 335.411 3.405 50 0 EGAARN CC[C@H](C)n1c2nc(C)c(Cl)c(C(=O)OC)c2c(=O)[nH]c1=S ZINC000020615349 276565054 /nfs/dbraw/zinc/56/50/54/276565054.db2.gz 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/nfs/dbraw/zinc/70/95/83/278709583.db2.gz ADMYGALUYHTZNY-OAHLLOKOSA-N 0 0 330.363 3.049 50 0 EGAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c(O)c1 ZINC000017067815 278773686 /nfs/dbraw/zinc/77/36/86/278773686.db2.gz NYQUSYWTYKIPBA-UHFFFAOYSA-N 0 0 330.434 3.239 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc(F)c1 ZINC000004326124 279530209 /nfs/dbraw/zinc/53/02/09/279530209.db2.gz JNFSWIUAMQPKCZ-IINYFYTJSA-N 0 0 348.399 3.037 50 0 aggregator EGAARN Cc1cc2c(cnc3ncnn32)c(=O)n1-c1cc(Cl)cc(Cl)c1 ZINC000038783965 280682903 /nfs/dbraw/zinc/68/29/03/280682903.db2.gz ZWDPMDIJGQPELM-UHFFFAOYSA-N 0 0 346.177 3.044 50 0 EGAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)N2C(=O)[C@H](C)SC2=N1 ZINC000002463202 281657445 /nfs/dbraw/zinc/65/74/45/281657445.db2.gz JMCOAHFKKCUQHC-WFASDCNBSA-N 0 0 344.436 3.287 50 0 EGAARN CC1=Nc2ncnn2[C@@H](c2cccc(Cl)c2)C1C(=O)OC(C)C ZINC000000147795 281657472 /nfs/dbraw/zinc/65/74/72/281657472.db2.gz JIIQTAGHWYWQCA-AWEZNQCLSA-N 0 0 332.791 3.172 50 0 EGAARN CCC(=O)N1CCCC[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000040151336 281890043 /nfs/dbraw/zinc/89/00/43/281890043.db2.gz YQSUDPDWVQCPNU-FAKMSMKASA-N 0 0 332.488 3.110 50 0 EGAARN CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000004626511 290353686 /nfs/dbraw/zinc/35/36/86/290353686.db2.gz LYOZSGSAIJLVBT-GOSISDBHSA-N 0 0 348.406 3.080 50 0 EGAARN C[C@H]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)C1 ZINC000002771478 290431660 /nfs/dbraw/zinc/43/16/60/290431660.db2.gz OOYQFYRHOXQHNK-WCBMZHEXSA-N 0 0 339.071 3.141 50 0 EGAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)cc1 ZINC000019866080 295233037 /nfs/dbraw/zinc/23/30/37/295233037.db2.gz IWUVFBGTUYHJKA-HXUWFJFHSA-N 0 0 341.407 3.206 50 0 EGAARN O=C1Nc2ccccc2[C@@]12Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000100133338 304690252 /nfs/dbraw/zinc/69/02/52/304690252.db2.gz LVVBMRMARYGMHX-FQEVSTJZSA-N 0 0 345.358 3.153 50 0 EGAARN O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1 ZINC000000620438 303648486 /nfs/dbraw/zinc/64/84/86/303648486.db2.gz ZLKNHHFIWKKHRC-MRXNPFEDSA-N 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452681987 /nfs/dbraw/zinc/68/19/87/452681987.db2.gz DFYOGXWPMVNGLY-UHFFFAOYSA-N 0 0 326.396 3.396 50 0 EGAARN CCCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000002095702 452686014 /nfs/dbraw/zinc/68/60/14/452686014.db2.gz XZVVJBWBZMFDCB-UHFFFAOYSA-N 0 0 327.402 3.149 50 0 EGAARN CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000002137095 452687136 /nfs/dbraw/zinc/68/71/36/452687136.db2.gz ADPHIBZAUMJCQR-UHFFFAOYSA-N 0 0 347.484 3.218 50 0 EGAARN CC[C@@H](C)NC(=O)c1nc2c3c(ncn2n1)sc1c3[C@@H](C)CCC1 ZINC000002196296 452688827 /nfs/dbraw/zinc/68/88/27/452688827.db2.gz XPNRMQLPQHOIEO-VHSXEESVSA-N 0 0 343.456 3.307 50 0 EGAARN NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002226737 452690040 /nfs/dbraw/zinc/69/00/40/452690040.db2.gz RNXBLBZKDWSBAQ-UHFFFAOYSA-N 0 0 344.827 3.165 50 0 EGAARN O=C(NCc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002342575 452693172 /nfs/dbraw/zinc/69/31/72/452693172.db2.gz FAWFCJZPBTUUID-UHFFFAOYSA-N 0 0 328.315 3.022 50 0 EGAARN CCC(=O)NC(Nc1cccnc1Cl)(C(F)(F)F)C(F)(F)F 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C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(Cc3ccccc3)o2)C1 ZINC000002720432 452717099 /nfs/dbraw/zinc/71/70/99/452717099.db2.gz PWIQRXUCFJCLOI-ZIAGYGMSSA-N 0 0 345.468 3.257 50 0 EGAARN O=C(c1cccc(Cl)c1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000002735977 452719118 /nfs/dbraw/zinc/71/91/18/452719118.db2.gz WWRRKYICJNMUSN-OAHLLOKOSA-N 0 0 334.847 3.205 50 0 EGAARN O=C1CCC(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002732683 452719388 /nfs/dbraw/zinc/71/93/88/452719388.db2.gz BAFBLOPPODQWQF-UHFFFAOYSA-N 0 0 331.375 3.188 50 0 EGAARN Cc1c(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cnn1C ZINC000002761596 452720898 /nfs/dbraw/zinc/72/08/98/452720898.db2.gz SSVQEMSWSFXVEK-ROUUACIJSA-N 0 0 325.456 3.446 50 0 EGAARN O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCC1 ZINC000002774978 452722823 /nfs/dbraw/zinc/72/28/23/452722823.db2.gz WIOOTYMMPITRPA-UHFFFAOYSA-N 0 0 335.757 3.492 50 0 EGAARN Cc1cccc(NC(=O)c2ccn(COc3ccc(F)cc3)n2)n1 ZINC000002788178 452723487 /nfs/dbraw/zinc/72/34/87/452723487.db2.gz BSPHGLMKDPSZST-UHFFFAOYSA-N 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ZINC000017071776 453629193 /nfs/dbraw/zinc/62/91/93/453629193.db2.gz MLPNHJWSCKAUDM-IYBDPMFKSA-N 0 0 343.814 3.264 50 0 EGAARN CC(C)CCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2)C1=O ZINC000018157712 453645255 /nfs/dbraw/zinc/64/52/55/453645255.db2.gz AKBVHFOHASWOMC-FQEVSTJZSA-N 0 0 335.407 3.088 50 0 biogenic EGAARN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)n[nH]2)cc1 ZINC000018243709 453649592 /nfs/dbraw/zinc/64/95/92/453649592.db2.gz LKBJQKQQXCDBMG-UHFFFAOYSA-N 0 0 340.408 3.211 50 0 EGAARN CCOC(=O)SC1=NN=C(c2cccc(Br)c2)OC1 ZINC000019799510 453659710 /nfs/dbraw/zinc/65/97/10/453659710.db2.gz KLBWFDGCFYQGKR-UHFFFAOYSA-N 0 0 343.202 3.429 50 0 EGAARN CCOC(=O)c1sc2ncn3nc(-c4ccccc4)nc3c2c1C ZINC000020100203 453662010 /nfs/dbraw/zinc/66/20/10/453662010.db2.gz OZCQGGQJBSYPPS-UHFFFAOYSA-N 0 0 338.392 3.491 50 0 EGAARN Cc1ccccc1N1CCN(C(=O)c2cc(C(C)C)no2)[C@H](C)C1 ZINC000020448746 453664770 /nfs/dbraw/zinc/66/47/70/453664770.db2.gz AOOVAELNFYNXEY-OAHLLOKOSA-N 0 0 327.428 3.457 50 0 EGAARN Cc1ccc(-n2nnnc2[C@H]2c3ccccc3CC(C)(C)N2C)cc1 ZINC000020477384 453666432 /nfs/dbraw/zinc/66/64/32/453666432.db2.gz JPKGPYADZJWESV-GOSISDBHSA-N 0 0 333.439 3.327 50 0 EGAARN Cn1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(F)(F)F ZINC000020604888 453667896 /nfs/dbraw/zinc/66/78/96/453667896.db2.gz DDDMQBPBJLWXAD-UHFFFAOYSA-N 0 0 335.285 3.425 50 0 EGAARN Cc1ccc2nc(C)c(C(=O)N3CCN(c4cccnc4)CC3)cc2c1 ZINC000020780461 453668951 /nfs/dbraw/zinc/66/89/51/453668951.db2.gz MDNBNNYFSMMJKS-UHFFFAOYSA-N 0 0 346.434 3.209 50 0 EGAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCc3ccccc3)c12 ZINC000025315607 453765502 /nfs/dbraw/zinc/76/55/02/453765502.db2.gz DXWWMQUKJDUDEF-UHFFFAOYSA-N 0 0 336.439 3.373 50 0 EGAARN CCN(CC)C(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1 ZINC000028296247 453822951 /nfs/dbraw/zinc/82/29/51/453822951.db2.gz KGEKMJOBDHBZTO-HNNXBMFYSA-N 0 0 345.834 3.089 50 0 EGAARN OCCNc1nc(NCc2ccc(Cl)cc2)nc2ccccc21 ZINC000029078355 453826190 /nfs/dbraw/zinc/82/61/90/453826190.db2.gz SJIIJJLWNPMHQO-UHFFFAOYSA-N 0 0 328.803 3.300 50 0 EGAARN O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc2[nH]ccc21 ZINC000032100855 453864506 /nfs/dbraw/zinc/86/45/06/453864506.db2.gz CSMWPKPPPGWIPE-UHFFFAOYSA-N 0 0 327.771 3.076 50 0 EGAARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)n1 ZINC000032102142 453864566 /nfs/dbraw/zinc/86/45/66/453864566.db2.gz VCWSLXDZOCBAGY-LLVKDONJSA-N 0 0 347.777 3.174 50 0 EGAARN COC(=O)c1ccc(C(=O)N(CCc2cccs2)C2CC2)cc1 ZINC000075154793 453867368 /nfs/dbraw/zinc/86/73/68/453867368.db2.gz CXAYYJIOGWXUGH-UHFFFAOYSA-N 0 0 329.421 3.382 50 0 EGAARN O=C(Cn1cccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000075165269 453868381 /nfs/dbraw/zinc/86/83/81/453868381.db2.gz SZZFNHDCKHDFMW-UHFFFAOYSA-N 0 0 342.424 3.006 50 0 EGAARN COc1cc(F)c(-c2nccn2C[C@@H](O)c2ccccc2)cc1OC ZINC000082083318 453922411 /nfs/dbraw/zinc/92/24/11/453922411.db2.gz COXHHONWKRFPNV-MRXNPFEDSA-N 0 0 342.370 3.440 50 0 EGAARN O=C(CCn1ccccc1=O)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000082096828 453922898 /nfs/dbraw/zinc/92/28/98/453922898.db2.gz 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/nfs/dbraw/zinc/92/58/83/453925883.db2.gz WMCUHWOXTSDJHO-UHFFFAOYSA-N 0 0 328.799 3.137 50 0 EGAARN CC[C@H](C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1)c1ccccc1 ZINC000082136975 453925987 /nfs/dbraw/zinc/92/59/87/453925987.db2.gz NHLLHNXWBCLYNB-IBGZPJMESA-N 0 0 336.435 3.364 50 0 EGAARN O=C(c1ccc[nH]1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082139096 453926279 /nfs/dbraw/zinc/92/62/79/453926279.db2.gz NKGPKIOMPXDWEQ-KRWDZBQOSA-N 0 0 334.423 3.279 50 0 EGAARN COCc1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)s1 ZINC000082146463 453926923 /nfs/dbraw/zinc/92/69/23/453926923.db2.gz CTOAICWCKUKFAB-UHFFFAOYSA-N 0 0 348.443 3.386 50 0 EGAARN Cc1ccc(NC(=O)CN2C(=O)COc3cc(Cl)ccc32)cc1 ZINC000040478732 453950709 /nfs/dbraw/zinc/95/07/09/453950709.db2.gz DJHWPFYBMIDUMH-UHFFFAOYSA-N 0 0 330.771 3.013 50 0 EGAARN COc1cccc([C@@H]2c3[nH]cnc3CCN2Cc2ccoc2)c1OC ZINC000067723979 453959995 /nfs/dbraw/zinc/95/99/95/453959995.db2.gz ZUEZKWUANRFNAV-GOSISDBHSA-N 0 0 339.395 3.168 50 0 EGAARN CCn1cncc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000067975489 453985663 /nfs/dbraw/zinc/98/56/63/453985663.db2.gz KXASHLOVUWZJDD-LBPRGKRZSA-N 0 0 341.802 3.421 50 0 EGAARN CC(=O)N1CCC2(CC1)Nc1ccccc1N(CCC(C)(C)C)C2=O ZINC000055575664 453996033 /nfs/dbraw/zinc/99/60/33/453996033.db2.gz ADGXTININZRQQS-UHFFFAOYSA-N 0 0 343.471 3.262 50 0 EGAARN O=C(Nc1nnc(SCc2cn3ccccc3n2)s1)C1CCC1 ZINC000042379290 454008528 /nfs/dbraw/zinc/00/85/28/454008528.db2.gz WELWDBRJAYTLDW-UHFFFAOYSA-N 0 0 345.453 3.217 50 0 EGAARN CSc1ccccc1C(=O)NCCc1nc(-c2ccco2)cn1C ZINC000085471260 454029900 /nfs/dbraw/zinc/02/99/00/454029900.db2.gz BQCKCYNLDYLSJX-UHFFFAOYSA-N 0 0 341.436 3.375 50 0 EGAARN Cc1nccn1-c1ncc(NC(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000085470445 454030016 /nfs/dbraw/zinc/03/00/16/454030016.db2.gz RNVMTRNZPPPVTC-UHFFFAOYSA-N 0 0 346.753 3.407 50 0 EGAARN CCOC(=O)c1cnn2ccc(NC(=O)/C=C/c3cccs3)cc12 ZINC000085471519 454030685 /nfs/dbraw/zinc/03/06/85/454030685.db2.gz BBNAHRKLJWPYRB-AATRIKPKSA-N 0 0 341.392 3.224 50 0 EGAARN CCCn1cc(CNC(=O)c2csc(-c3cccs3)n2)cn1 ZINC000085533057 454032329 /nfs/dbraw/zinc/03/23/29/454032329.db2.gz QRAXFNVGVNXBES-UHFFFAOYSA-N 0 0 332.454 3.408 50 0 EGAARN O=C(NCCCc1ccccc1)N1CCC(Oc2cccnc2)CC1 ZINC000085557988 454032673 /nfs/dbraw/zinc/03/26/73/454032673.db2.gz LXUFMFYULFBXRL-UHFFFAOYSA-N 0 0 339.439 3.267 50 0 EGAARN O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000085560079 454032917 /nfs/dbraw/zinc/03/29/17/454032917.db2.gz JSGZADXRVBVJKT-GOSISDBHSA-N 0 0 349.352 3.355 50 0 EGAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(-n2cccn2)nc1 ZINC000043107439 454041324 /nfs/dbraw/zinc/04/13/24/454041324.db2.gz ZLPYZPDQMMILOW-UHFFFAOYSA-N 0 0 348.284 3.418 50 0 EGAARN CN(C(=O)Nc1ccc(N2CCCC2=O)cc1)C1Cc2ccccc2C1 ZINC000056557607 454067728 /nfs/dbraw/zinc/06/77/28/454067728.db2.gz NEMXEBWSTXHKKP-UHFFFAOYSA-N 0 0 349.434 3.445 50 0 EGAARN O=C1C[C@@H](c2noc(-c3cccc(F)c3)n2)CN1Cc1cccs1 ZINC000044213987 454092458 /nfs/dbraw/zinc/09/24/58/454092458.db2.gz ANZPRMNLTYYOPN-GFCCVEGCSA-N 0 0 343.383 3.453 50 0 EGAARN C[C@@H](Cn1cccn1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000077354658 454095660 /nfs/dbraw/zinc/09/56/60/454095660.db2.gz AJGCQSMWHPDIRP-AWEZNQCLSA-N 0 0 347.846 3.243 50 0 EGAARN COCCN(Cc1ccsc1)C(=O)NCCc1ccc(OC)cc1 ZINC000044447032 454102332 /nfs/dbraw/zinc/10/23/32/454102332.db2.gz HSPMJHBKXPGONI-UHFFFAOYSA-N 0 0 348.468 3.157 50 0 EGAARN Cn1ccnc1CC[C@H]1CCCCN1Cc1noc(C2CCCC2)n1 ZINC000077408250 454102718 /nfs/dbraw/zinc/10/27/18/454102718.db2.gz FGTNIDIHZXDRML-MRXNPFEDSA-N 0 0 343.475 3.448 50 0 EGAARN CCc1oncc1C(=O)N1CCC[C@@H](COc2cccc(C)c2)C1 ZINC000077407322 454102770 /nfs/dbraw/zinc/10/27/70/454102770.db2.gz YMZKUNIHUHPJKH-OAHLLOKOSA-N 0 0 328.412 3.477 50 0 EGAARN O=C(c1cc[nH]n1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000077456638 454107376 /nfs/dbraw/zinc/10/73/76/454107376.db2.gz SPAXAWKOKHYRGQ-UHFFFAOYSA-N 0 0 339.317 3.112 50 0 EGAARN O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(F)cc1 ZINC000077456057 454107793 /nfs/dbraw/zinc/10/77/93/454107793.db2.gz XNJDBGNSZAFCJK-INIZCTEOSA-N 0 0 327.355 3.461 50 0 EGAARN Cc1c2c(I)c[nH]c2ncc1Br ZINC000044712651 454115719 /nfs/dbraw/zinc/11/57/19/454115719.db2.gz FWYNMYZWKQDRNR-UHFFFAOYSA-N 0 0 336.958 3.238 50 0 EGAARN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1 ZINC000077525425 454117525 /nfs/dbraw/zinc/11/75/25/454117525.db2.gz PPJGRDCHYJNRIA-CQSZACIVSA-N 0 0 325.391 3.319 50 0 EGAARN Cn1nnc(-c2ccc(-n3ccnc3-c3cccc(F)c3F)cc2)n1 ZINC000077538167 454119512 /nfs/dbraw/zinc/11/95/12/454119512.db2.gz KZZIHTJUPOTLEV-UHFFFAOYSA-N 0 0 338.321 3.008 50 0 EGAARN CC[C@H](NC(=O)c1cc(C)nc2c(C)c(C)ccc12)c1ncnn1C ZINC000077538263 454119717 /nfs/dbraw/zinc/11/97/17/454119717.db2.gz UMCMAULURYOBLQ-INIZCTEOSA-N 0 0 337.427 3.170 50 0 EGAARN O=C(Nc1ccccc1)N1CCC(n2ccnc2-c2c[nH]cn2)CC1 ZINC000077565274 454124185 /nfs/dbraw/zinc/12/41/85/454124185.db2.gz IRXAOAGMRXGCGX-UHFFFAOYSA-N 0 0 336.399 3.142 50 0 EGAARN Cc1ccc(-c2ccc(=O)n(CC(=O)N(C)c3ccccc3)n2)cc1C ZINC000057427483 454128158 /nfs/dbraw/zinc/12/81/58/454128158.db2.gz NWOAXIVGIWDPMR-UHFFFAOYSA-N 0 0 347.418 3.190 50 0 EGAARN CCc1cc(=O)n(CC(=O)N(C)c2ccccc2)c(-c2ccccc2)n1 ZINC000057527232 454134544 /nfs/dbraw/zinc/13/45/44/454134544.db2.gz FTNHTFLVEVWURE-UHFFFAOYSA-N 0 0 347.418 3.136 50 0 EGAARN CSCCCNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000077669486 454138167 /nfs/dbraw/zinc/13/81/67/454138167.db2.gz CXPGKOBGDRATNS-UHFFFAOYSA-N 0 0 326.437 3.132 50 0 EGAARN Cc1csc(-c2nnc(NC(=O)COc3ccccc3F)o2)c1 ZINC000070635600 454170342 /nfs/dbraw/zinc/17/03/42/454170342.db2.gz UPQGLXLRRDLQNM-UHFFFAOYSA-N 0 0 333.344 3.263 50 0 EGAARN O=C(Nc1ccc(F)c(F)c1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000071006979 454191683 /nfs/dbraw/zinc/19/16/83/454191683.db2.gz BVKINFHWVBLHCM-UHFFFAOYSA-N 0 0 334.713 3.451 50 0 EGAARN Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000071279820 454203599 /nfs/dbraw/zinc/20/35/99/454203599.db2.gz BYUPPLAZGYBGLX-ZDUSSCGKSA-N 0 0 343.431 3.156 50 0 EGAARN Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3Cl)cc1 ZINC000071261346 454203837 /nfs/dbraw/zinc/20/38/37/454203837.db2.gz DTDGVNQSPAWHTH-UHFFFAOYSA-N 0 0 342.207 3.284 50 0 EGAARN CCn1cc(-c2nn3c(nnc3-c3ccc(F)c(F)c3)s2)cn1 ZINC000071286398 454204201 /nfs/dbraw/zinc/20/42/01/454204201.db2.gz APBNGVQENUHSGH-UHFFFAOYSA-N 0 0 332.339 3.014 50 0 EGAARN Cc1nn(C)cc1[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000071279713 454204239 /nfs/dbraw/zinc/20/42/39/454204239.db2.gz HWAARLMTEKOQFI-ZDUSSCGKSA-N 0 0 343.431 3.237 50 0 EGAARN Cc1nn(C)c(C)c1[C@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000071279821 454204293 /nfs/dbraw/zinc/20/42/93/454204293.db2.gz BYUPPLAZGYBGLX-CYBMUJFWSA-N 0 0 343.431 3.156 50 0 EGAARN OCCOc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000071422355 454207103 /nfs/dbraw/zinc/20/71/03/454207103.db2.gz BFAOBACWOVAIKK-IBGZPJMESA-N 0 0 347.842 3.285 50 0 EGAARN COc1cccc(C[C@@H]2CN(Cc3cc(C(C)(C)C)n[nH]3)CCO2)c1 ZINC000071661527 454210682 /nfs/dbraw/zinc/21/06/82/454210682.db2.gz KPURDXAMWZAQEQ-GOSISDBHSA-N 0 0 343.471 3.159 50 0 EGAARN CCc1nnc(CNc2nccc(-c3ccc(C)nc3C)n2)s1 ZINC000071747925 454212741 /nfs/dbraw/zinc/21/27/41/454212741.db2.gz SOXLJBPLJIKJLW-UHFFFAOYSA-N 0 0 326.429 3.181 50 0 EGAARN COc1ccc(F)c(-c2nc(CN(C)Cc3ccon3)c(C)o2)c1 ZINC000071748188 454212942 /nfs/dbraw/zinc/21/29/42/454212942.db2.gz ZVRYNYYFXXEVRU-UHFFFAOYSA-N 0 0 331.347 3.418 50 0 EGAARN Cc1cc(C)c(CSc2nc3ccccc3c(=O)n2N)c(C)c1 ZINC000071768786 454216808 /nfs/dbraw/zinc/21/68/08/454216808.db2.gz NLFZGGZYAIXOAL-UHFFFAOYSA-N 0 0 325.437 3.328 50 0 EGAARN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO ZINC000071770303 454217310 /nfs/dbraw/zinc/21/73/10/454217310.db2.gz CMHCOGHTKXUQKW-CSBGVCQJSA-N 0 0 340.504 3.383 50 0 EGAARN Cc1ccc(NC(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)cc1 ZINC000071775914 454217796 /nfs/dbraw/zinc/21/77/96/454217796.db2.gz FULAYGTYVYLZHG-SFHVURJKSA-N 0 0 343.471 3.496 50 0 EGAARN COc1ccc(CNC(=O)c2ccc(Nc3ncccn3)cc2)cc1 ZINC000095472099 454219042 /nfs/dbraw/zinc/21/90/42/454219042.db2.gz ZJZSYSOQWUELJY-UHFFFAOYSA-N 0 0 334.379 3.159 50 0 EGAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3cc(C)no3)nn21 ZINC000095475451 454219575 /nfs/dbraw/zinc/21/95/75/454219575.db2.gz LFKZIERNISDCME-UHFFFAOYSA-N 0 0 347.787 3.478 50 0 EGAARN Cc1ccc(Cl)c(CN2CC(=O)N(C)c3ccccc3C2=O)c1F ZINC000095501036 454221964 /nfs/dbraw/zinc/22/19/64/454221964.db2.gz GVIHLRIRQGDERA-UHFFFAOYSA-N 0 0 346.789 3.406 50 0 EGAARN CCn1nc(CNC(=O)[C@H](C)n2ccnc2C(C)C)c2ccccc21 ZINC000095504748 454223993 /nfs/dbraw/zinc/22/39/93/454223993.db2.gz KOBDXBLBAHMPBF-AWEZNQCLSA-N 0 0 339.443 3.254 50 0 EGAARN Cc1cccc(Oc2ccccc2NC(=O)N2CCOC[C@@H](O)C2)c1 ZINC000095515234 454224744 /nfs/dbraw/zinc/22/47/44/454224744.db2.gz YIFCPBHWALDFFY-HNNXBMFYSA-N 0 0 342.395 3.012 50 0 EGAARN CCOC(=O)Cc1ccc(NC(=O)N(C)Cc2csc(C)n2)cc1 ZINC000095509132 454225138 /nfs/dbraw/zinc/22/51/38/454225138.db2.gz DYPLKHWUVLRZGB-UHFFFAOYSA-N 0 0 347.440 3.221 50 0 EGAARN COc1cccc2c1OC[C@H](Cc1cccc(C(=O)NC3CC3)c1)C2 ZINC000095515371 454225153 /nfs/dbraw/zinc/22/51/53/454225153.db2.gz AJLACLLYDFUSFN-OAHLLOKOSA-N 0 0 337.419 3.381 50 0 EGAARN CC[C@H](O)Cn1nc(C2CCCC2)nc1-c1n[nH]c2ccccc21 ZINC000095518358 454226544 /nfs/dbraw/zinc/22/65/44/454226544.db2.gz HTFQSEUBJUFBRO-ZDUSSCGKSA-N 0 0 325.416 3.250 50 0 EGAARN Cc1nn(CCCNC(=O)c2ccc3ccn(C)c3c2)c(C)c1Cl ZINC000095523520 454227374 /nfs/dbraw/zinc/22/73/74/454227374.db2.gz BSDUOMPVYHRRSG-UHFFFAOYSA-N 0 0 344.846 3.465 50 0 EGAARN CN(CC(=O)N1CCC[C@@](C)(c2ccccc2)C1)Cc1ccccn1 ZINC000095527750 454229253 /nfs/dbraw/zinc/22/92/53/454229253.db2.gz IFBYPELFVKUMAI-OAQYLSRUSA-N 0 0 337.467 3.094 50 0 EGAARN O=S(=O)(c1ccccc1)n1c(Br)cc2cccnc21 ZINC000095919998 454232066 /nfs/dbraw/zinc/23/20/66/454232066.db2.gz KOFVJNXDFFCCBB-UHFFFAOYSA-N 0 0 337.198 3.036 50 0 EGAARN COC(=O)c1ccc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)o1 ZINC000095929429 454232286 /nfs/dbraw/zinc/23/22/86/454232286.db2.gz IVENJXGQYPZQCG-UHFFFAOYSA-N 0 0 336.409 3.338 50 0 EGAARN CC1(C)Cc2cccc(OCC(=O)NCCc3ccsc3)c2O1 ZINC000046243354 454232889 /nfs/dbraw/zinc/23/28/89/454232889.db2.gz AKKFGTGALGOURW-UHFFFAOYSA-N 0 0 331.437 3.199 50 0 EGAARN Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccc(F)cc2n1 ZINC000046496058 454258279 /nfs/dbraw/zinc/25/82/79/454258279.db2.gz VDRXKHXBZLJRAL-QZTJIDSGSA-N 0 0 328.387 3.466 50 0 EGAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000059741044 454261272 /nfs/dbraw/zinc/26/12/72/454261272.db2.gz IUJHNYFPAQSZHD-CQSZACIVSA-N 0 0 336.863 3.241 50 0 EGAARN O=C1CCCc2c(OC[C@@H](O)CN3CCc4ccccc43)cccc21 ZINC000096028112 454264564 /nfs/dbraw/zinc/26/45/64/454264564.db2.gz IJENOSNSLUNDLQ-INIZCTEOSA-N 0 0 337.419 3.008 50 0 EGAARN O=C(C=Cc1cccs1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000096025575 454264646 /nfs/dbraw/zinc/26/46/46/454264646.db2.gz VRIVPIDFGWTLBJ-IHHMQQGQSA-N 0 0 339.416 3.398 50 0 EGAARN CCOc1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1 ZINC000046729161 454277316 /nfs/dbraw/zinc/27/73/16/454277316.db2.gz OILRUMFSODKCJR-UHFFFAOYSA-N 0 0 347.459 3.198 50 0 EGAARN CCOc1ccc(CC(=O)NC[C@H](O)c2ccc(SC)cc2)cc1 ZINC000096103098 454282538 /nfs/dbraw/zinc/28/25/38/454282538.db2.gz ITFHVHIUAJQUCC-SFHVURJKSA-N 0 0 345.464 3.200 50 0 EGAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc(C(C)=O)c1 ZINC000096117510 454287444 /nfs/dbraw/zinc/28/74/44/454287444.db2.gz RCHVMBJXBLJACH-UHFFFAOYSA-N 0 0 349.390 3.441 50 0 EGAARN CC[C@@](CNC(=O)NCc1ccc(OC)cc1)(OC)c1ccccc1 ZINC000096123826 454289789 /nfs/dbraw/zinc/28/97/89/454289789.db2.gz UMNQEAGMFLHVSU-FQEVSTJZSA-N 0 0 342.439 3.446 50 0 EGAARN Cc1nn(C)c2nc(NCCc3noc(C4CCCC4)n3)sc12 ZINC000096135751 454290384 /nfs/dbraw/zinc/29/03/84/454290384.db2.gz JBUUPQGSAZNQKK-UHFFFAOYSA-N 0 0 332.433 3.033 50 0 EGAARN Cc1nc(Cc2sc(N)nc2C)n(-c2ccc(F)c(Cl)c2)n1 ZINC000096131878 454290940 /nfs/dbraw/zinc/29/09/40/454290940.db2.gz NZYPBZPLGUZHNS-UHFFFAOYSA-N 0 0 337.811 3.306 50 0 EGAARN CC(C)(C)c1cc(CNC(=O)Nc2cccc3nsnc32)[nH]n1 ZINC000096139542 454291996 /nfs/dbraw/zinc/29/19/96/454291996.db2.gz 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/nfs/dbraw/zinc/29/57/47/454295747.db2.gz YHPKOFXCUSHLAG-UHFFFAOYSA-N 0 0 346.862 3.280 50 0 EGAARN CO[C@H](CNS(=O)(=O)/C=C/c1ccccc1)c1cccc(F)c1 ZINC000096388394 454320563 /nfs/dbraw/zinc/32/05/63/454320563.db2.gz LVAJZYCMNMCYSZ-SXSDINLZSA-N 0 0 335.400 3.104 50 0 EGAARN COc1ccccc1[C@@H](CNC(=O)c1nc2ccccc2s1)OC ZINC000096384569 454320676 /nfs/dbraw/zinc/32/06/76/454320676.db2.gz GPGIKZXBNOAEPO-OAHLLOKOSA-N 0 0 342.420 3.422 50 0 EGAARN CN(C)c1ccc([C@@H](O)CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000090611724 454327119 /nfs/dbraw/zinc/32/71/19/454327119.db2.gz AGSZVCBUYRDGFX-HNNXBMFYSA-N 0 0 336.794 3.009 50 0 EGAARN Cc1sc2ncc(C(=O)Nc3ccc4[nH]ccc4c3)c(=O)n2c1C ZINC000061719710 454352067 /nfs/dbraw/zinc/35/20/67/454352067.db2.gz NWJYQJDNVKLOSQ-UHFFFAOYSA-N 0 0 338.392 3.106 50 0 EGAARN CCOc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000047524153 454381202 /nfs/dbraw/zinc/38/12/02/454381202.db2.gz CQIUUILFRMUJCM-UHFFFAOYSA-N 0 0 348.443 3.215 50 0 EGAARN OCc1ccccc1CN1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000097099211 454406645 /nfs/dbraw/zinc/40/66/45/454406645.db2.gz MUZBIYZWSKGSSZ-UHFFFAOYSA-N 0 0 348.849 3.289 50 0 EGAARN O=C(Nc1nnc(-c2ccco2)s1)N1CCc2ccccc2C1 ZINC000047783333 454408426 /nfs/dbraw/zinc/40/84/26/454408426.db2.gz URZSPPUCBBSNHU-UHFFFAOYSA-N 0 0 326.381 3.388 50 0 EGAARN CN(C)C(=O)c1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000091254546 454418849 /nfs/dbraw/zinc/41/88/49/454418849.db2.gz GCSHEJQDMRFIIP-KRWDZBQOSA-N 0 0 336.435 3.125 50 0 EGAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc2ccnn2c1C ZINC000097179477 454421616 /nfs/dbraw/zinc/42/16/16/454421616.db2.gz BWWHWSLOHCFYJP-QGZVFWFLSA-N 0 0 337.427 3.436 50 0 EGAARN Cc1ccc(-c2nnc(CN3CCO[C@@H](c4nccs4)C3)o2)cc1 ZINC000097199890 454421831 /nfs/dbraw/zinc/42/18/31/454421831.db2.gz ZALFIDLZVQMSAC-CQSZACIVSA-N 0 0 342.424 3.075 50 0 EGAARN c1ccc(-c2nnc(CN3CC[C@@H](CNc4ccccn4)C3)o2)cc1 ZINC000097200490 454423476 /nfs/dbraw/zinc/42/34/76/454423476.db2.gz SUULLXXHFHGEFZ-HNNXBMFYSA-N 0 0 335.411 3.066 50 0 EGAARN CN(C(=O)CCN1CCCCCC1=O)[C@@H]1CCCc2ccccc21 ZINC000091770488 454468552 /nfs/dbraw/zinc/46/85/52/454468552.db2.gz LNHYDLARIWFXKF-GOSISDBHSA-N 0 0 328.456 3.315 50 0 EGAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000048339935 454475297 /nfs/dbraw/zinc/47/52/97/454475297.db2.gz UQKOQNIBJLOTTK-LLVKDONJSA-N 0 0 347.374 3.469 50 0 EGAARN CSc1nc2n(n1)[C@H](c1cccc(O)c1)C1C(=O)CCCC1=N2 ZINC000102675866 454516533 /nfs/dbraw/zinc/51/65/33/454516533.db2.gz YJVBXWXWIZASPI-CQSZACIVSA-N 0 0 328.397 3.377 50 0 EGAARN CCn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2cc(C)ccc21 ZINC000064960964 454519348 /nfs/dbraw/zinc/51/93/48/454519348.db2.gz REIIVMAMTQYFKF-UHFFFAOYSA-N 0 0 332.363 3.442 50 0 EGAARN COc1cc(OC)cc(N2Cc3cc(Cl)ccc3OCC2=O)c1 ZINC000065184302 454536668 /nfs/dbraw/zinc/53/66/68/454536668.db2.gz JNILSQNMLUOSIK-UHFFFAOYSA-N 0 0 333.771 3.283 50 0 EGAARN Fc1ccc(-c2nnc(Cc3nc(Cc4ccccc4)no3)o2)cc1 ZINC000065185375 454536888 /nfs/dbraw/zinc/53/68/88/454536888.db2.gz HFDGTLLSDGDFHG-UHFFFAOYSA-N 0 0 336.326 3.440 50 0 EGAARN COc1ccccc1/C=C/C(=O)NCc1nc(-c2ccccc2)no1 ZINC000074177973 454540734 /nfs/dbraw/zinc/54/07/34/454540734.db2.gz VSYYQTBRSLSNDK-VAWYXSNFSA-N 0 0 335.363 3.075 50 0 EGAARN COc1ccc(N2C[C@H](c3noc(-c4ccsc4)n3)CC2=O)cc1 ZINC000065259465 454546215 /nfs/dbraw/zinc/54/62/15/454546215.db2.gz XRNHCNFRQHBOSF-GFCCVEGCSA-N 0 0 341.392 3.327 50 0 EGAARN Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)c1cc3c(cc1O2)OCO3 ZINC000065365254 454553685 /nfs/dbraw/zinc/55/36/85/454553685.db2.gz VBPZDVDHHBUKFI-INIZCTEOSA-N 0 0 334.331 3.093 50 0 EGAARN C[C@H](c1ccon1)N(C)CCC(=O)Nc1nc2ccccc2s1 ZINC000065393491 454559101 /nfs/dbraw/zinc/55/91/01/454559101.db2.gz KZIJKOJFNOJWOU-LLVKDONJSA-N 0 0 330.413 3.306 50 0 EGAARN Cc1ncsc1CCC(=O)NCc1ccccc1-n1ccnc1C ZINC000065408964 454561374 /nfs/dbraw/zinc/56/13/74/454561374.db2.gz SUFRGFRDTNVDPW-UHFFFAOYSA-N 0 0 340.452 3.195 50 0 EGAARN COc1nc(C)cc(C)c1CN[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065405196 454561568 /nfs/dbraw/zinc/56/15/68/454561568.db2.gz 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213091036 /nfs/dbraw/zinc/09/10/36/213091036.db2.gz BRLKSXWKOYVLOJ-UHFFFAOYSA-N 0 0 340.310 3.005 50 0 EGAARN O=C(/C=C/c1ccco1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070639880 215702510 /nfs/dbraw/zinc/70/25/10/215702510.db2.gz DMJCSPNCKZTJTO-HSBSLETESA-N 0 0 325.286 3.161 50 0 EGAARN Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)on1 ZINC000035511373 213035634 /nfs/dbraw/zinc/03/56/34/213035634.db2.gz XCXNOAURVQNPAC-ZDUSSCGKSA-N 0 0 329.356 3.123 50 0 EGAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cnn(C3CCCC3)c2N1 ZINC000072115534 216011379 /nfs/dbraw/zinc/01/13/79/216011379.db2.gz JEPFXKWCDGMJIO-ZDUSSCGKSA-N 0 0 325.368 3.201 50 0 EGAARN Cc1ccccc1[C@@]1(O)CCN(c2cc(C(C)C)nc3ccnn32)C1 ZINC000072125452 216016130 /nfs/dbraw/zinc/01/61/30/216016130.db2.gz VGKCWCIDBVTDBK-HXUWFJFHSA-N 0 0 336.439 3.259 50 0 EGAARN c1cn(Cc2nc(CCc3ccccc3)no2)c(-c2cccnc2)n1 ZINC000072127156 216017500 /nfs/dbraw/zinc/01/75/00/216017500.db2.gz FLYRNJKGOIAVML-UHFFFAOYSA-N 0 0 331.379 3.162 50 0 EGAARN Cc1cnc(-c2ccc(-c3cc(NCCO)nc4[nH]ccc43)cc2)nc1 ZINC000072145516 216032905 /nfs/dbraw/zinc/03/29/05/216032905.db2.gz UVBYAWAIXZUTGB-UHFFFAOYSA-N 0 0 345.406 3.400 50 0 EGAARN O=C1CC[C@]2(CCCO2)CCN1Cc1ccc(C(F)(F)F)nc1 ZINC000072150320 216038578 /nfs/dbraw/zinc/03/85/78/216038578.db2.gz XYKOUPNBMGYBPU-OAHLLOKOSA-N 0 0 328.334 3.162 50 0 EGAARN CCC(C)(C)C(=O)N1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000072162482 216050576 /nfs/dbraw/zinc/05/05/76/216050576.db2.gz WBWOLWOGBRHXLD-CQSZACIVSA-N 0 0 331.412 3.273 50 0 EGAARN CCCSc1ncc(-c2nccn2-c2ccc3[nH]nnc3c2)cn1 ZINC000072154726 216043393 /nfs/dbraw/zinc/04/33/93/216043393.db2.gz WDIMRVAWHSRAAG-UHFFFAOYSA-N 0 0 337.412 3.103 50 0 EGAARN CCc1nc2c(C)nn(CC)c2c(NCc2ccc(OC)cc2)n1 ZINC000072240976 216079513 /nfs/dbraw/zinc/07/95/13/216079513.db2.gz UFQRTQBODOWLAX-UHFFFAOYSA-N 0 0 325.416 3.338 50 0 EGAARN Cc1nn(C)c(C)c1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000072242991 216082453 /nfs/dbraw/zinc/08/24/53/216082453.db2.gz GKRKVUNIECSTGC-UHFFFAOYSA-N 0 0 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CN(C)c1ccc(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)cc1 ZINC000072467896 216247247 /nfs/dbraw/zinc/24/72/47/216247247.db2.gz IMMKTVHFYZZXOF-UHFFFAOYSA-N 0 0 348.450 3.139 50 0 EGAARN O=C(c1cn2cc(Cl)cnc2n1)N1CCCC[C@H]1c1ccccn1 ZINC000072476460 216254344 /nfs/dbraw/zinc/25/43/44/216254344.db2.gz VVFJUPWPCMLQSW-HNNXBMFYSA-N 0 0 341.802 3.145 50 0 EGAARN CCCc1nc2c(cnn2C)c(N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000072475458 216252751 /nfs/dbraw/zinc/25/27/51/216252751.db2.gz ZWALVMFFEMECCG-UHFFFAOYSA-N 0 0 346.438 3.360 50 0 EGAARN C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCOCC1 ZINC000023182575 212358761 /nfs/dbraw/zinc/35/87/61/212358761.db2.gz MBGSMOUVBQVGNH-RHSMWYFYSA-N 0 0 345.468 3.332 50 0 EGAARN c1ccc(C[C@H]2CN(Cc3nc4c(s3)CCCC4)CCO2)cc1 ZINC000023129192 212352305 /nfs/dbraw/zinc/35/23/05/212352305.db2.gz ZSMLPYCRLXGLAQ-INIZCTEOSA-N 0 0 328.481 3.465 50 0 EGAARN Cc1nc(-c2cccc(CN(C)[C@@H](C)c3ccncn3)c2)[nH]c(=O)c1C ZINC000023128773 212351737 /nfs/dbraw/zinc/35/17/37/212351737.db2.gz 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/nfs/dbraw/zinc/14/02/39/241140239.db2.gz ACZGECBTHHWNIV-UHFFFAOYSA-N 0 0 343.818 3.139 50 0 EGAARN Clc1cncc(Cl)c1CN1CCN(Cc2ccccn2)CC1 ZINC000215687459 241140587 /nfs/dbraw/zinc/14/05/87/241140587.db2.gz YWICWKJWXBRLOM-UHFFFAOYSA-N 0 0 337.254 3.101 50 0 EGAARN Cc1ccc(Sc2ccc(CN3C[C@H]4CC[C@@H](C3)NC4=O)o2)cc1 ZINC000215775004 241145053 /nfs/dbraw/zinc/14/50/53/241145053.db2.gz XQZVZBZUQCSWLQ-CABCVRRESA-N 0 0 342.464 3.450 50 0 EGAARN Cc1ccc(CN(C)Cc2cnc(NC[C@@H]3CCCO3)nc2)s1 ZINC000216390004 241189074 /nfs/dbraw/zinc/18/90/74/241189074.db2.gz JPCOPDAARYWGNL-HNNXBMFYSA-N 0 0 332.473 3.069 50 0 EGAARN Nc1nnc(SCC(=O)N2CCC[C@H](c3ccccc3)CC2)s1 ZINC000215372240 241123052 /nfs/dbraw/zinc/12/30/52/241123052.db2.gz BTQRNGAEFUBSGX-ZDUSSCGKSA-N 0 0 348.497 3.009 50 0 EGAARN Cc1ccc2cccc(OCCNC(=O)c3ccnn3C(C)C)c2n1 ZINC000215428346 241127040 /nfs/dbraw/zinc/12/70/40/241127040.db2.gz HPEBBISQICMUBV-UHFFFAOYSA-N 0 0 338.411 3.129 50 0 EGAARN COCc1ccc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)cc1 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ZINC000239611946 455261908 /nfs/dbraw/zinc/26/19/08/455261908.db2.gz FFZHIWJEQVIZKC-UHFFFAOYSA-N 0 0 327.384 3.174 50 0 EGAARN c1ncn(C2CCCCC2)c1CN1CCN(c2ccccn2)CC1 ZINC000240971674 455265158 /nfs/dbraw/zinc/26/51/58/455265158.db2.gz UAWJHBUOFSTICQ-UHFFFAOYSA-N 0 0 325.460 3.106 50 0 EGAARN Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccccc2)c1 ZINC000000031548 452491001 /nfs/dbraw/zinc/49/10/01/452491001.db2.gz RXAFSFNMSQTHHH-UHFFFAOYSA-N 0 0 339.424 3.010 50 0 EGAARN C/C=C(/C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000000028040 452491114 /nfs/dbraw/zinc/49/11/14/452491114.db2.gz RRHCDWLSHIIIIT-NVWZYQMFSA-N 0 0 328.364 3.385 50 0 biogenic,in-vitro EGAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 ZINC000000070673 452498400 /nfs/dbraw/zinc/49/84/00/452498400.db2.gz AENRSXKKRGFHAP-HNNXBMFYSA-N 0 0 343.408 3.023 50 0 EGAARN Cc1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C ZINC000000080074 452500040 /nfs/dbraw/zinc/50/00/40/452500040.db2.gz WIIJJGIKNWFDRI-HNNXBMFYSA-N 0 0 346.452 3.097 50 0 EGAARN Cc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)cc(C)c1Cl ZINC000000089040 452504033 /nfs/dbraw/zinc/50/40/33/452504033.db2.gz JGWHGQCBZSJECI-UHFFFAOYSA-N 0 0 347.798 3.381 50 0 EGAARN COc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000000087435 452504921 /nfs/dbraw/zinc/50/49/21/452504921.db2.gz IFXFCNKXWCGCQP-GOSISDBHSA-N 0 0 344.436 3.114 50 0 EGAARN CCOC(=O)c1cnc2c(OC)cccc2c1NCc1cccnc1 ZINC000000097681 452506779 /nfs/dbraw/zinc/50/67/79/452506779.db2.gz FDRJBILOGUCDCY-UHFFFAOYSA-N 0 0 337.379 3.427 50 0 EGAARN Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000000114084 452510839 /nfs/dbraw/zinc/51/08/39/452510839.db2.gz YUHQPHHFUUTSOY-UHFFFAOYSA-N 0 0 344.842 3.376 50 0 EGAARN C[C@]1(O)N(Cc2ccccn2)C(=O)O[C@@]1(C)CCc1ccccc1 ZINC000000117365 452512692 /nfs/dbraw/zinc/51/26/92/452512692.db2.gz OGVXKQUYKKGZQN-RBUKOAKNSA-N 0 0 326.396 3.134 50 0 EGAARN Cc1noc2ncnc(SCC(=O)Nc3ccccc3Cl)c12 ZINC000000124237 452513691 /nfs/dbraw/zinc/51/36/91/452513691.db2.gz HGGYFENQULWEEI-UHFFFAOYSA-N 0 0 334.788 3.310 50 0 EGAARN CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OC)cc1 ZINC000000131868 452515293 /nfs/dbraw/zinc/51/52/93/452515293.db2.gz GRPHRNVONUBUQM-JLHYYAGUSA-N 0 0 339.391 3.453 50 0 EGAARN COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C ZINC000000130788 452515508 /nfs/dbraw/zinc/51/55/08/452515508.db2.gz MWYBBWJICYODFX-UHFFFAOYSA-N 0 0 333.771 3.453 50 0 EGAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)c(OC)c1 ZINC000000147292 452521261 /nfs/dbraw/zinc/52/12/61/452521261.db2.gz WRQWQTJVXRPSTD-XBXARRHUSA-N 0 0 327.336 3.084 50 0 EGAARN Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 ZINC000000154671 452523188 /nfs/dbraw/zinc/52/31/88/452523188.db2.gz QIWIWOMNKSGDNR-LLVKDONJSA-N 0 0 326.421 3.174 50 0 EGAARN O=C(Oc1ccc2ccccc2c1Br)N1CCOCC1 ZINC000000152123 452523765 /nfs/dbraw/zinc/52/37/65/452523765.db2.gz UOACAWPFKRHQQV-UHFFFAOYSA-N 0 0 336.185 3.433 50 0 EGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000000183519 452530724 /nfs/dbraw/zinc/53/07/24/452530724.db2.gz AXUXZKSJSFKRHZ-UHFFFAOYSA-N 0 0 342.779 3.238 50 0 EGAARN Oc1ccc(I)nc1CCc1ccccc1 ZINC000000209688 452537672 /nfs/dbraw/zinc/53/76/72/452537672.db2.gz WXTHAEDEWNTWSK-UHFFFAOYSA-N 0 0 325.149 3.177 50 0 EGAARN Cc1cc(C(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)ccc1O ZINC000000219419 452539852 /nfs/dbraw/zinc/53/98/52/452539852.db2.gz INDZBBQNBPHSDB-GFCCVEGCSA-N 0 0 340.408 3.040 50 0 EGAARN Cc1cc(C)n2nc(SCC(=O)Nc3ccc(C)c(C)c3)nc2n1 ZINC000000217176 452539902 /nfs/dbraw/zinc/53/99/02/452539902.db2.gz AVDPWJYSBQCIOO-UHFFFAOYSA-N 0 0 341.440 3.089 50 0 EGAARN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000000238505 452543877 /nfs/dbraw/zinc/54/38/77/452543877.db2.gz WWBUBUIWIBPWBP-XCVCLJGOSA-N 0 0 326.371 3.314 50 0 EGAARN CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3cccc(O)c3)cc2C1=O ZINC000000261822 452550299 /nfs/dbraw/zinc/55/02/99/452550299.db2.gz KNWGJPDUSDHKQB-UHFFFAOYSA-N 0 0 338.363 3.039 50 0 EGAARN O=C(c1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccccc1 ZINC000000276675 452552915 /nfs/dbraw/zinc/55/29/15/452552915.db2.gz AZZHPWJJDXOFII-MRXNPFEDSA-N 0 0 334.297 3.296 50 0 EGAARN CN1c2ccccc2[C@@](O)(CC(=O)c2cccc3ccccc32)C1=O ZINC000000303936 452558869 /nfs/dbraw/zinc/55/88/69/452558869.db2.gz GLVCUQWRRXRKMN-NRFANRHFSA-N 0 0 331.371 3.277 50 0 EGAARN O=C1CCC(=O)N1CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000310752 452560835 /nfs/dbraw/zinc/56/08/35/452560835.db2.gz GOYXTAMEWPUDHJ-MRXNPFEDSA-N 0 0 337.375 3.086 50 0 biogenic EGAARN O=S(=O)(c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000000322713 452564026 /nfs/dbraw/zinc/56/40/26/452564026.db2.gz FEXCRFKCXTVZEC-INIZCTEOSA-N 0 0 337.828 3.102 50 0 EGAARN O=C(c1ccco1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000000325309 452565126 /nfs/dbraw/zinc/56/51/26/452565126.db2.gz PFUICSMPQRYRMI-ZDUSSCGKSA-N 0 0 327.315 3.446 50 0 EGAARN Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000000372398 452573955 /nfs/dbraw/zinc/57/39/55/452573955.db2.gz QQFAOBCJMZDGFZ-UHFFFAOYSA-N 0 0 343.452 3.011 50 0 EGAARN CCOC(=O)c1cc(CNC(=O)c2c(C)oc3c2CCCC3)c(C)o1 ZINC000000376472 452574243 /nfs/dbraw/zinc/57/42/43/452574243.db2.gz RGRHAPBOCSQXCR-UHFFFAOYSA-N 0 0 345.395 3.475 50 0 EGAARN O=C(Nc1ccc(Cl)cc1C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000000384380 452576263 /nfs/dbraw/zinc/57/62/63/452576263.db2.gz APZMRFFVUUOICO-GFCCVEGCSA-N 0 0 348.786 3.094 50 0 EGAARN COc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC ZINC000000405892 452578801 /nfs/dbraw/zinc/57/88/01/452578801.db2.gz IJZNARCHSYINAH-UHFFFAOYSA-N 0 0 349.452 3.108 50 0 EGAARN COc1ccc(OC)c(NC(=O)Oc2c(OC)cccc2OC)c1 ZINC000000398366 452579192 /nfs/dbraw/zinc/57/91/92/452579192.db2.gz KJIHLBKPZLIGRZ-UHFFFAOYSA-N 0 0 333.340 3.332 50 0 EGAARN CCc1c(C)sc(NC(=O)/C=C/c2ccc(OC)cc2)c1C(N)=O ZINC000000433929 452590898 /nfs/dbraw/zinc/59/08/98/452590898.db2.gz RIIARYVOCHPPKT-JXMROGBWSA-N 0 0 344.436 3.378 50 0 EGAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccncc1 ZINC000000451664 452595433 /nfs/dbraw/zinc/59/54/33/452595433.db2.gz UVZHHILDYPCOAJ-SNVBAGLBSA-N 0 0 325.195 3.472 50 0 EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1ccccc1 ZINC000000454489 452596644 /nfs/dbraw/zinc/59/66/44/452596644.db2.gz FWRQMFATSMIGFP-UHFFFAOYSA-N 0 0 346.408 3.299 50 0 EGAARN Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000000455419 452596938 /nfs/dbraw/zinc/59/69/38/452596938.db2.gz ABMZVHYQYVRIKJ-UHFFFAOYSA-N 0 0 344.842 3.376 50 0 EGAARN CSc1nnc2c(n1)O[C@H](C)Nc1ccc(Br)cc1-2 ZINC000000460981 452599386 /nfs/dbraw/zinc/59/93/86/452599386.db2.gz HDEKSBOJJCXOCV-ZCFIWIBFSA-N 0 0 339.218 3.173 50 0 EGAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1OCC ZINC000000457143 452599553 /nfs/dbraw/zinc/59/95/53/452599553.db2.gz JCDDQXHKXDCVRO-UHFFFAOYSA-N 0 0 343.379 3.143 50 0 EGAARN Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000000466140 452600403 /nfs/dbraw/zinc/60/04/03/452600403.db2.gz NZHADDOBJLABPN-UHFFFAOYSA-N 0 0 338.392 3.351 50 0 EGAARN CCCN1c2ccccc2[C@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000000472764 452602736 /nfs/dbraw/zinc/60/27/36/452602736.db2.gz KRRKWJLQXYLXFK-LJQANCHMSA-N 0 0 327.355 3.043 50 0 EGAARN OCc1ccc(OCc2ccc(I)cc2)cc1 ZINC000000470935 452602783 /nfs/dbraw/zinc/60/27/83/452602783.db2.gz IQBYNEHWGIEUMJ-UHFFFAOYSA-N 0 0 340.160 3.363 50 0 EGAARN CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1C(N)=O ZINC000000476773 452604093 /nfs/dbraw/zinc/60/40/93/452604093.db2.gz JMYYXVFHHZWQCG-UONOGXRCSA-N 0 0 328.437 3.460 50 0 EGAARN Cc1cccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)c1 ZINC000000525532 452614362 /nfs/dbraw/zinc/61/43/62/452614362.db2.gz CPWVDZFRTWMZCN-ONKXNFODSA-N 0 0 345.427 3.339 50 0 EGAARN COc1ccc(-c2nnc(SCc3ccccc3C)n2N)cc1 ZINC000000531775 452616220 /nfs/dbraw/zinc/61/62/20/452616220.db2.gz NICDIWMXKHUYRK-UHFFFAOYSA-N 0 0 326.425 3.268 50 0 EGAARN COc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)c1 ZINC000000541593 452618036 /nfs/dbraw/zinc/61/80/36/452618036.db2.gz VPQIILHHVSPAMZ-RJRNSMGGSA-N 0 0 334.419 3.332 50 0 EGAARN COC(=O)c1c2c(sc1N1C(=O)C=CC1=O)C[C@@H](C(C)(C)C)CC2 ZINC000000558835 452622640 /nfs/dbraw/zinc/62/26/40/452622640.db2.gz DGTNJFSNUCTCST-JTQLQIEISA-N 0 0 347.436 3.115 50 0 EGAARN Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000000559329 452622705 /nfs/dbraw/zinc/62/27/05/452622705.db2.gz UEWJMZACWIXIME-UHFFFAOYSA-N 0 0 330.771 3.013 50 0 EGAARN CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000000558638 452622777 /nfs/dbraw/zinc/62/27/77/452622777.db2.gz YXRSCGOBCJKZMA-CSKARUKUSA-N 0 0 343.774 3.258 50 0 EGAARN O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccco1 ZINC000000560614 452623961 /nfs/dbraw/zinc/62/39/61/452623961.db2.gz ALTOEOHLEBXTIZ-UHFFFAOYSA-N 0 0 348.358 3.375 50 0 EGAARN CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000000582799 452627531 /nfs/dbraw/zinc/62/75/31/452627531.db2.gz ZUBUCFNQFOZTPG-AWEZNQCLSA-N 0 0 346.452 3.324 50 0 EGAARN COc1ccc(C)cc1NC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000610271 452630152 /nfs/dbraw/zinc/63/01/52/452630152.db2.gz GPQOYOFJRRWAGT-UHFFFAOYSA-N 0 0 344.411 3.385 50 0 EGAARN Cn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O ZINC000000610390 452630400 /nfs/dbraw/zinc/63/04/00/452630400.db2.gz CHXVTKKTFZMIJT-UHFFFAOYSA-N 0 0 347.296 3.205 50 0 EGAARN COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)CC(=O)N2 ZINC000000615840 452631128 /nfs/dbraw/zinc/63/11/28/452631128.db2.gz IYVNZHRFQVDPDX-CQSZACIVSA-N 0 0 326.396 3.244 50 0 EGAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cn1 ZINC000000615426 452632002 /nfs/dbraw/zinc/63/20/02/452632002.db2.gz QYZBQJUSOMJWQL-UHFFFAOYSA-N 0 0 336.760 3.109 50 0 EGAARN Cc1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000000815611 452637362 /nfs/dbraw/zinc/63/73/62/452637362.db2.gz JGEDXIOPULXFSO-VIFPVBQESA-N 0 0 326.183 3.498 50 0 EGAARN CCc1sc(C(=O)NCc2cc(C)n(C)n2)cc1Br ZINC000001054044 452642835 /nfs/dbraw/zinc/64/28/35/452642835.db2.gz UVWOUPUKAMEOCW-UHFFFAOYSA-N 0 0 342.262 3.045 50 0 EGAARN Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cs1 ZINC000001055515 452643756 /nfs/dbraw/zinc/64/37/56/452643756.db2.gz XHBJPSXYJNOHLU-UHFFFAOYSA-N 0 0 327.409 3.107 50 0 EGAARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C)c1 ZINC000001288268 452651501 /nfs/dbraw/zinc/65/15/01/452651501.db2.gz NRNHPCFOIDMQFL-ZHACJKMWSA-N 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FITMXSYUCJQLSD-UHFFFAOYSA-N 0 0 327.815 3.417 50 0 EGAARN COc1ccc(NC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000001443419 452665196 /nfs/dbraw/zinc/66/51/96/452665196.db2.gz VLXJIIUVTTXSAH-UHFFFAOYSA-N 0 0 330.384 3.077 50 0 EGAARN CCCCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000001775271 452676965 /nfs/dbraw/zinc/67/69/65/452676965.db2.gz RQNHMHZSYQGMOG-NWDGAFQWSA-N 0 0 348.468 3.487 50 0 EGAARN C[C@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000001929768 452681891 /nfs/dbraw/zinc/68/18/91/452681891.db2.gz NOFNSBPUHZLZQQ-VIFPVBQESA-N 0 0 332.400 3.363 50 0 EGAARN CC[C@H](C)N1C(=O)c2ccc(C(=O)OCc3ccccc3)cc2C1=O ZINC000001972474 452683712 /nfs/dbraw/zinc/68/37/12/452683712.db2.gz KPISWNPABNSXPB-ZDUSSCGKSA-N 0 0 337.375 3.438 50 0 EGAARN O=C(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F ZINC000002096193 452685402 /nfs/dbraw/zinc/68/54/02/452685402.db2.gz RSILATDGOHRJRT-UHFFFAOYSA-N 0 0 345.223 3.406 50 0 EGAARN CCn1cc([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 ZINC000002131363 452688492 /nfs/dbraw/zinc/68/84/92/452688492.db2.gz OQWHHVYAVSWKJY-INIZCTEOSA-N 0 0 334.375 3.414 50 0 biogenic EGAARN CC(C)Cn1cnc2c3cc4c(nc3oc2c1=O)CC(C)(C)OC4 ZINC000002131657 452688628 /nfs/dbraw/zinc/68/86/28/452688628.db2.gz MDWOJWZYBBVURQ-UHFFFAOYSA-N 0 0 327.384 3.045 50 0 biogenic EGAARN CCCc1cc2c3c(c(=O)oc2cc1OCC(=O)OCC)CCC3 ZINC000002132419 452688903 /nfs/dbraw/zinc/68/89/03/452688903.db2.gz OATLEYMGDUVVTG-UHFFFAOYSA-N 0 0 330.380 3.176 50 0 biogenic EGAARN COc1ccc(OCc2nn3c(nnc3-c3ccco3)s2)cc1 ZINC000002238289 452690058 /nfs/dbraw/zinc/69/00/58/452690058.db2.gz UQVOHZHTDDAMNB-UHFFFAOYSA-N 0 0 328.353 3.033 50 0 EGAARN COCCN1C2=C(COC(C)(C)C2)C(=S)N[C@H]1c1ccccc1 ZINC000002452874 452698143 /nfs/dbraw/zinc/69/81/43/452698143.db2.gz KNCXBUXQXDXGCX-MRXNPFEDSA-N 0 0 332.469 3.017 50 0 EGAARN COc1ccc(C=C2OC(=O)c3c2cc(C)[nH]c3=S)c(OC)c1 ZINC000002489584 452699080 /nfs/dbraw/zinc/69/90/80/452699080.db2.gz ZNOVJULRWMXXCE-VGOFMYFVSA-N 0 0 329.377 3.364 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C)cc1 ZINC000002487064 452700596 /nfs/dbraw/zinc/70/05/96/452700596.db2.gz WSECQKFCATXUKE-IUODEOHRSA-N 0 0 344.436 3.207 50 0 EGAARN COc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 ZINC000002501829 452701374 /nfs/dbraw/zinc/70/13/74/452701374.db2.gz WMKPQTTUSLAOMX-UHFFFAOYSA-N 0 0 334.445 3.358 50 0 EGAARN CC(C)CNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000002677602 452714869 /nfs/dbraw/zinc/71/48/69/452714869.db2.gz GYHZPTZSKKHSCZ-PDGQHHTCSA-N 0 0 340.398 3.369 50 0 EGAARN CCOc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)cc1 ZINC000002713290 452716705 /nfs/dbraw/zinc/71/67/05/452716705.db2.gz ASRVRMPDKJQECC-UHFFFAOYSA-N 0 0 340.358 3.366 50 0 EGAARN COc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 ZINC000002767135 452721134 /nfs/dbraw/zinc/72/11/34/452721134.db2.gz MENKDLWZKFFUDN-UHFFFAOYSA-N 0 0 328.349 3.286 50 0 EGAARN O=C(NC1CCCC1)c1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000002778158 452722471 /nfs/dbraw/zinc/72/24/71/452722471.db2.gz NNIBVLPKDVCRLB-UHFFFAOYSA-N 0 0 329.352 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50 0 EGAARN COc1cccc(-c2nnc(NC(=O)Cc3cccs3)s2)c1 ZINC000002846746 452729602 /nfs/dbraw/zinc/72/96/02/452729602.db2.gz CUFXVZRSQSYLPT-UHFFFAOYSA-N 0 0 331.422 3.456 50 0 EGAARN CC(C)C(=O)Nc1nnc(CSCCOc2ccccc2)s1 ZINC000002844230 452730656 /nfs/dbraw/zinc/73/06/56/452730656.db2.gz ANZXAKHWHSFCJX-UHFFFAOYSA-N 0 0 337.470 3.445 50 0 EGAARN COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2C)cc1 ZINC000002883072 452734285 /nfs/dbraw/zinc/73/42/85/452734285.db2.gz NYQWFYGDQFLCAP-UHFFFAOYSA-N 0 0 339.420 3.466 50 0 EGAARN CCCCNC(=O)c1sc(=S)n2c3ccsc3c(=O)[nH]c12 ZINC000002956412 452736165 /nfs/dbraw/zinc/73/61/65/452736165.db2.gz KQSPFLCSZVTYGW-UHFFFAOYSA-N 0 0 339.467 3.163 50 0 EGAARN O=C(NCCc1cn2ccccc2n1)c1ccccc1Br ZINC000002960842 452736570 /nfs/dbraw/zinc/73/65/70/452736570.db2.gz KCBSXAQGTAHFBS-UHFFFAOYSA-N 0 0 344.212 3.069 50 0 EGAARN Cc1ccc(CSCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000002982673 452738576 /nfs/dbraw/zinc/73/85/76/452738576.db2.gz ROXNGDRHOIXWBA-SFHVURJKSA-N 0 0 343.448 3.184 50 0 EGAARN Cc1ccc(C)c(NC(=O)Cn2cnc3c4ccccc4oc3c2=O)c1 ZINC000003007454 452739653 /nfs/dbraw/zinc/73/96/53/452739653.db2.gz WBFRWAZNFBPPGO-UHFFFAOYSA-N 0 0 347.374 3.398 50 0 EGAARN CN(C(=O)COC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003508721 452776012 /nfs/dbraw/zinc/77/60/12/452776012.db2.gz ODSLHTDQBJIMHU-UHFFFAOYSA-N 0 0 348.196 3.269 50 0 EGAARN O=C(C1CCCCC1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004165475 452795428 /nfs/dbraw/zinc/79/54/28/452795428.db2.gz NGFMLVMFUJQHQB-MRXNPFEDSA-N 0 0 337.416 3.050 50 0 EGAARN CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccnc2)CC1 ZINC000004736772 452814299 /nfs/dbraw/zinc/81/42/99/452814299.db2.gz WAPJGIIXPDNIQG-UHFFFAOYSA-N 0 0 344.846 3.129 50 0 EGAARN c1ccc2c(c1)cccc2Cn1nnc2c1ncnc2N1CCCCC1 ZINC000004745467 452817123 /nfs/dbraw/zinc/81/71/23/452817123.db2.gz VSBRXBZIBAPPKC-UHFFFAOYSA-N 0 0 344.422 3.413 50 0 EGAARN O=C(Nc1cc2c3c(c1)CCC(=O)N3CC2)c1ccc(F)c(F)c1 ZINC000005153363 452839781 /nfs/dbraw/zinc/83/97/81/452839781.db2.gz ITXGAWKDZJETCT-UHFFFAOYSA-N 0 0 328.318 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452891467 /nfs/dbraw/zinc/89/14/67/452891467.db2.gz FTUAZVZATYKWJD-LJQANCHMSA-N 0 0 348.402 3.411 50 0 EGAARN O=C(NCc1ccccc1)c1cc(C(=O)c2c(F)cccc2F)c[nH]1 ZINC000005773437 452901397 /nfs/dbraw/zinc/90/13/97/452901397.db2.gz BNSFBFHGYWYNOT-UHFFFAOYSA-N 0 0 340.329 3.454 50 0 EGAARN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1n[nH]c(=S)n1C ZINC000005912055 452909348 /nfs/dbraw/zinc/90/93/48/452909348.db2.gz UBPWCWLJDYARSI-LURJTMIESA-N 0 0 331.228 3.275 50 0 EGAARN CCOc1ccccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000006248376 452928477 /nfs/dbraw/zinc/92/84/77/452928477.db2.gz ONEOCQNVHAOWFA-UHFFFAOYSA-N 0 0 346.377 3.326 50 0 EGAARN CCCCN1C(=O)C(=Cc2ccc(Br)s2)NC1=S ZINC000006398988 452940762 /nfs/dbraw/zinc/94/07/62/452940762.db2.gz VCHACXMXPIREES-CLFYSBASSA-N 0 0 345.287 3.368 50 0 EGAARN COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 ZINC000006416683 452942485 /nfs/dbraw/zinc/94/24/85/452942485.db2.gz VZHRTFIBHOXPIU-JTQLQIEISA-N 0 0 330.409 3.307 50 0 EGAARN COc1ccc([C@H](C)NC(=O)c2cccc(OC)c2OC)cc1OC 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CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000007055178 453026731 /nfs/dbraw/zinc/02/67/31/453026731.db2.gz VYONDMQXQIJFKM-LBPRGKRZSA-N 0 0 332.425 3.100 50 0 EGAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)cn3)nc2c1 ZINC000007344131 453062373 /nfs/dbraw/zinc/06/23/73/453062373.db2.gz QIUOCUPDMGXXRP-UHFFFAOYSA-N 0 0 348.815 3.351 50 0 EGAARN Cc1ccccc1CNC(=O)COC(=O)c1cc(Cl)ccc1F ZINC000007526941 453083830 /nfs/dbraw/zinc/08/38/30/453083830.db2.gz WHGKFTYWADKYSY-UHFFFAOYSA-N 0 0 335.762 3.261 50 0 EGAARN O=C(OCc1cc(-c2cccs2)on1)c1ccc2c(c1)OCO2 ZINC000007550665 453086136 /nfs/dbraw/zinc/08/61/36/453086136.db2.gz SFYQKXSHTCQJFE-UHFFFAOYSA-N 0 0 329.333 3.489 50 0 EGAARN Fc1ccccc1COc1ccc(Cl)cc1CNn1cnnc1 ZINC000007602617 453092623 /nfs/dbraw/zinc/09/26/23/453092623.db2.gz MNLTVJJUJQHYGM-UHFFFAOYSA-N 0 0 332.766 3.393 50 0 EGAARN Cc1cc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)no1 ZINC000008022190 453150461 /nfs/dbraw/zinc/15/04/61/453150461.db2.gz OEPLBVIWLGRFGW-UHFFFAOYSA-N 0 0 325.372 3.248 50 0 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CCOc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000019792871 212067686 /nfs/dbraw/zinc/06/76/86/212067686.db2.gz AHHVYDLEOCNCHC-UHFFFAOYSA-N 0 0 340.423 3.170 50 0 EGAARN Cc1nonc1CN(C)Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000019608536 212051095 /nfs/dbraw/zinc/05/10/95/212051095.db2.gz OQPWIXZKMDONEX-UHFFFAOYSA-N 0 0 334.326 3.252 50 0 EGAARN COc1ccc(C[C@H]2CN(Cc3csc(C(C)=O)c3)CCO2)cc1 ZINC000019595051 212050445 /nfs/dbraw/zinc/05/04/45/212050445.db2.gz KFMPHRXLZXIKEK-SFHVURJKSA-N 0 0 345.464 3.403 50 0 EGAARN CCc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000019522892 212037367 /nfs/dbraw/zinc/03/73/67/212037367.db2.gz HNJDPVLBJDUJJP-UHFFFAOYSA-N 0 0 326.415 3.346 50 0 EGAARN CCc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000019522889 212036848 /nfs/dbraw/zinc/03/68/48/212036848.db2.gz MONHGETZKBGWPA-UHFFFAOYSA-N 0 0 326.415 3.346 50 0 EGAARN FC(F)(F)c1ccccc1CN1CCN(Cc2ccncc2)CC1 ZINC000019364139 212021799 /nfs/dbraw/zinc/02/17/99/212021799.db2.gz BKBHILWTSQUNSO-UHFFFAOYSA-N 0 0 335.373 3.418 50 0 EGAARN 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CCn1cncc1[C@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000067975491 281661274 /nfs/dbraw/zinc/66/12/74/281661274.db2.gz KXASHLOVUWZJDD-GFCCVEGCSA-N 0 0 341.802 3.421 50 0 EGAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc(OC)c1O ZINC000049545492 295020409 /nfs/dbraw/zinc/02/04/09/295020409.db2.gz FLJISRFFQIXVKV-NSHDSACASA-N 0 0 345.399 3.485 50 0 EGAARN Nc1c2cc3c(nc2nc(=S)n1C(=O)c1ccccc1)CCCC3 ZINC000101038796 295026929 /nfs/dbraw/zinc/02/69/29/295026929.db2.gz YTUBLQOTAZWIIU-UHFFFAOYSA-N 0 0 336.420 3.141 50 0 EGAARN NC(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1N ZINC000004030450 295199700 /nfs/dbraw/zinc/19/97/00/295199700.db2.gz QQMDZEUEYNZVOC-UHFFFAOYSA-N 0 0 327.453 3.445 50 0 EGAARN Cc1ccc([C@@H]2C(=O)N(C)S[C@@]23C(=O)Nc2ccccc23)cc1C ZINC000096191618 301723649 /nfs/dbraw/zinc/72/36/49/301723649.db2.gz GJRJPFQRTHTNCV-VQIMIIECSA-N 0 0 338.432 3.355 50 0 EGAARN Cc1cccc(C)c1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000092065548 301966746 /nfs/dbraw/zinc/96/67/46/301966746.db2.gz 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/nfs/dbraw/zinc/16/72/55/210167255.db2.gz BGAYELMDHYVQTP-UHFFFAOYSA-N 0 0 341.436 3.131 50 0 EGAARN Cc1ccccc1C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000004264350 210155513 /nfs/dbraw/zinc/15/55/13/210155513.db2.gz BTQZRKLLQGGRNO-UHFFFAOYSA-N 0 0 337.335 3.069 50 0 EGAARN CC[C@@H](NC(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000065362047 214874735 /nfs/dbraw/zinc/87/47/35/214874735.db2.gz BLCHZQKSPXVFEM-MRXNPFEDSA-N 0 0 332.425 3.363 50 0 EGAARN NC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2Cc1ccccc1 ZINC000065382523 214882325 /nfs/dbraw/zinc/88/23/25/214882325.db2.gz DPKCALSGRBVESN-HNNXBMFYSA-N 0 0 349.434 3.054 50 0 EGAARN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(OC)c2)N1 ZINC000004181508 210141115 /nfs/dbraw/zinc/14/11/15/210141115.db2.gz CDEJFRJDZLSKPL-HNNXBMFYSA-N 0 0 344.333 3.338 50 0 EGAARN CCCCOc1ccc(C(=O)N2NC(C)=C[C@]2(O)C(F)(F)F)cc1 ZINC000004178990 210139674 /nfs/dbraw/zinc/13/96/74/210139674.db2.gz RTDYSEUVFYEKDG-HNNXBMFYSA-N 0 0 344.333 3.338 50 0 EGAARN Cc1cc(=O)[nH]c(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000101693691 219157467 /nfs/dbraw/zinc/15/74/67/219157467.db2.gz WFBDPGPOKYUMOD-FPMFFAJLSA-N 0 0 338.473 3.174 50 0 EGAARN COc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c(OC)c1 ZINC000004089021 210117719 /nfs/dbraw/zinc/11/77/19/210117719.db2.gz BNFIHEXFLRBFBO-UHFFFAOYSA-N 0 0 344.436 3.447 50 0 EGAARN CCOC(=O)c1csc(NC(=O)c2ccc3ncsc3c2)n1 ZINC000004088437 210117451 /nfs/dbraw/zinc/11/74/51/210117451.db2.gz FVLRRGATLYGCQN-UHFFFAOYSA-N 0 0 333.394 3.182 50 0 EGAARN COc1ccccc1[C@@]1(CCN2C(=O)CCC2=O)CCOC(C)(C)C1 ZINC000004062544 210110825 /nfs/dbraw/zinc/11/08/25/210110825.db2.gz OOHUFZDEXYJZIH-FQEVSTJZSA-N 0 0 345.439 3.061 50 0 biogenic EGAARN Fc1ccc(-n2nnc3c2ncnc3SCc2ccccn2)cc1 ZINC000004062810 210112336 /nfs/dbraw/zinc/11/23/36/210112336.db2.gz WNDULVAWZHNQQM-UHFFFAOYSA-N 0 0 338.371 3.037 50 0 EGAARN CN(C)C(=O)Sc1nnc(SCCOc2ccccc2)s1 ZINC000004050071 210107490 /nfs/dbraw/zinc/10/74/90/210107490.db2.gz JXDORBOCYOSBLR-UHFFFAOYSA-N 0 0 341.483 3.483 50 0 EGAARN CC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F ZINC000003906077 210090120 /nfs/dbraw/zinc/09/01/20/210090120.db2.gz TUSOZZHZBQGJTD-UHFFFAOYSA-N 0 0 325.387 3.292 50 0 EGAARN CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1 ZINC000003895974 210086906 /nfs/dbraw/zinc/08/69/06/210086906.db2.gz SGMDHURWBSSHLD-VLWBHCEFSA-N 0 0 345.487 3.055 50 0 EGAARN O=C(NCCSc1ccccc1)c1cncc(Br)c1 ZINC000003672366 210073149 /nfs/dbraw/zinc/07/31/49/210073149.db2.gz GCEQPUDOLRLYRU-UHFFFAOYSA-N 0 0 337.242 3.366 50 0 EGAARN Brc1ccccc1CN1CCN(c2ccccn2)CC1 ZINC000003684266 210073927 /nfs/dbraw/zinc/07/39/27/210073927.db2.gz CVDRHBVSPKBOIG-UHFFFAOYSA-N 0 0 332.245 3.166 50 0 EGAARN CCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000003627089 210068971 /nfs/dbraw/zinc/06/89/71/210068971.db2.gz SOJRKCZPEWYWOQ-GOSISDBHSA-N 0 0 341.407 3.428 50 0 EGAARN Cc1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1C ZINC000003577852 210057344 /nfs/dbraw/zinc/05/73/44/210057344.db2.gz WTPRNDVGQASRGZ-UHFFFAOYSA-N 0 0 330.384 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/nfs/dbraw/zinc/16/89/07/215168907.db2.gz FHHUMECZSVIYDG-CYBMUJFWSA-N 0 0 348.374 3.034 50 0 EGAARN C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C(N)=O)C1 ZINC000003098362 209963461 /nfs/dbraw/zinc/96/34/61/209963461.db2.gz FSCMWODNULAQDZ-BREXMAIKSA-N 0 0 330.409 3.217 50 0 EGAARN Cc1c2ccccc2[nH]c(=O)c1-c1cccc(CN2CCOCC2)c1 ZINC000067712558 215190257 /nfs/dbraw/zinc/19/02/57/215190257.db2.gz NDIHSHXLHRYJOL-UHFFFAOYSA-N 0 0 334.419 3.336 50 0 EGAARN COC(C)(C)C(=O)N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067723670 215194531 /nfs/dbraw/zinc/19/45/31/215194531.db2.gz VYMBZTUAKDFCQI-INIZCTEOSA-N 0 0 341.455 3.132 50 0 EGAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)cc1 ZINC000067690484 215185834 /nfs/dbraw/zinc/18/58/34/215185834.db2.gz IAGYAFWTAUNWDS-INIZCTEOSA-N 0 0 349.438 3.138 50 0 EGAARN O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000003002736 209953317 /nfs/dbraw/zinc/95/33/17/209953317.db2.gz RMESBCSZBRYILV-NSHDSACASA-N 0 0 332.762 3.471 50 0 EGAARN NC(=O)c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000067758071 215205798 /nfs/dbraw/zinc/20/57/98/215205798.db2.gz DOUILTQOSJNTDV-UHFFFAOYSA-N 0 0 337.400 3.285 50 0 EGAARN CCc1nnc(CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C(C)C)o1 ZINC000067772501 215208878 /nfs/dbraw/zinc/20/88/78/215208878.db2.gz SWXUGKRTLGSQLR-UHFFFAOYSA-N 0 0 339.399 3.073 50 0 EGAARN Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2ncc[nH]2)CCO3)cc1 ZINC000067789287 215214410 /nfs/dbraw/zinc/21/44/10/215214410.db2.gz MCOBCUXLDJKSLG-UHFFFAOYSA-N 0 0 335.407 3.485 50 0 EGAARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3cccnn3)C2)cc1 ZINC000067805811 215217630 /nfs/dbraw/zinc/21/76/30/215217630.db2.gz DDYPIMFJKOWUEF-MRXNPFEDSA-N 0 0 347.422 3.195 50 0 EGAARN CC(C)c1cc(C2CCN(C(=O)c3ccc4cccnc4n3)CC2)[nH]n1 ZINC000067847231 215228467 /nfs/dbraw/zinc/22/84/67/215228467.db2.gz HFFKCSYFSFCGPF-UHFFFAOYSA-N 0 0 349.438 3.496 50 0 EGAARN CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 ZINC000002857433 209927926 /nfs/dbraw/zinc/92/79/26/209927926.db2.gz QQVUKLFWSKXIKE-UHFFFAOYSA-N 0 0 339.395 3.167 50 0 EGAARN C/C=C/c1ccc(OCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000002868247 209930457 /nfs/dbraw/zinc/93/04/57/209930457.db2.gz LSTAOAUAJAVKFC-ZZXKWVIFSA-N 0 0 337.375 3.403 50 0 EGAARN C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cn2ncsc2n1 ZINC000067894354 215242516 /nfs/dbraw/zinc/24/25/16/215242516.db2.gz IVFTUXHIWNKOOW-LLVKDONJSA-N 0 0 339.424 3.082 50 0 EGAARN Cc1ccc(Oc2ncccc2CNC(=O)c2cc(C3CC3)n[nH]2)cn1 ZINC000067894640 215243289 /nfs/dbraw/zinc/24/32/89/215243289.db2.gz HCUKKJDWCNPEPI-UHFFFAOYSA-N 0 0 349.394 3.108 50 0 EGAARN O=C(c1ccccc1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067909218 215248221 /nfs/dbraw/zinc/24/82/21/215248221.db2.gz MRAFHLIGESHRLM-UHFFFAOYSA-N 0 0 346.386 3.489 50 0 EGAARN CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000002821182 209922662 /nfs/dbraw/zinc/92/26/62/209922662.db2.gz FVBIKPPGOAPUMV-UHFFFAOYSA-N 0 0 347.436 3.062 50 0 EGAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cc(C(C)C)no1 ZINC000067946928 215255553 /nfs/dbraw/zinc/25/55/53/215255553.db2.gz MFLPZVPYIBHKRO-HNNXBMFYSA-N 0 0 330.432 3.388 50 0 EGAARN NC(=O)Cn1cnc(-c2ccccc2)c1-c1c[nH]nc1C1CCCCC1 ZINC000067982822 215266232 /nfs/dbraw/zinc/26/62/32/215266232.db2.gz IBCBHTWHCCZFDK-UHFFFAOYSA-N 0 0 349.438 3.473 50 0 EGAARN O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc(F)cc1 ZINC000002794696 209915319 /nfs/dbraw/zinc/91/53/19/209915319.db2.gz IGCYIJXTBHSARG-UHFFFAOYSA-N 0 0 330.750 3.371 50 0 EGAARN Cc1c(NC(=O)[C@@H](C)n2nc(C(F)F)c(Cl)c2C)cnn1C ZINC000002780365 209911448 /nfs/dbraw/zinc/91/14/48/209911448.db2.gz VOOBPJCSDUNKOZ-MRVPVSSYSA-N 0 0 331.754 3.024 50 0 EGAARN COc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000002753295 209902018 /nfs/dbraw/zinc/90/20/18/209902018.db2.gz JXCXBECZMHNMRG-UHFFFAOYSA-N 0 0 349.814 3.338 50 0 EGAARN CC(=O)c1cccc(Nc2nc3ccccc3c(NCCCO)n2)c1 ZINC000041150198 213427059 /nfs/dbraw/zinc/42/70/59/213427059.db2.gz MECCUMFJHXNTPK-UHFFFAOYSA-N 0 0 336.395 3.370 50 0 EGAARN NC(=O)c1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCC2 ZINC000002625030 209875977 /nfs/dbraw/zinc/87/59/77/209875977.db2.gz NQDIRJYKXCNFIV-UHFFFAOYSA-N 0 0 338.791 3.381 50 0 EGAARN CCCNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002152063 209825854 /nfs/dbraw/zinc/82/58/54/209825854.db2.gz WNKSKDQIXKFXNW-UHFFFAOYSA-N 0 0 337.375 3.365 50 0 biogenic EGAARN CC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000002111397 209820603 /nfs/dbraw/zinc/82/06/03/209820603.db2.gz HLGFGSYHLHWESM-UHFFFAOYSA-N 0 0 348.310 3.492 50 0 biogenic EGAARN CCCCOC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000001904076 209803075 /nfs/dbraw/zinc/80/30/75/209803075.db2.gz ABUJHLJWWDPIEW-UHFFFAOYSA-N 0 0 330.380 3.394 50 0 biogenic EGAARN CCOCCOC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 ZINC000001771915 209791675 /nfs/dbraw/zinc/79/16/75/209791675.db2.gz SGBTUOULPHEZNP-UHFFFAOYSA-N 0 0 343.379 3.141 50 0 EGAARN CC(=O)N(CC(C)C)c1nc(C)c(C(=O)Nc2nccs2)s1 ZINC000040267797 213285579 /nfs/dbraw/zinc/28/55/79/213285579.db2.gz VWUPLMFQQZWXSQ-UHFFFAOYSA-N 0 0 338.458 3.169 50 0 EGAARN O=C(Nc1ccccn1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000040079971 213258768 /nfs/dbraw/zinc/25/87/68/213258768.db2.gz MHNUYOWLKGZQGO-UHFFFAOYSA-N 0 0 347.353 3.449 50 0 EGAARN O=C(OCc1cncs1)c1ccc(I)cc1 ZINC000001403724 209741377 /nfs/dbraw/zinc/74/13/77/209741377.db2.gz DMLOKIOIPLQHMT-UHFFFAOYSA-N 0 0 345.161 3.105 50 0 EGAARN CCc1sc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1Br ZINC000001056187 209703930 /nfs/dbraw/zinc/70/39/30/209703930.db2.gz QUQRNKOOWCFZCH-WPRPVWTQSA-N 0 0 332.263 3.370 50 0 EGAARN Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2N2C(=O)CSC2=O)cc1C ZINC000038679430 213220508 /nfs/dbraw/zinc/22/05/08/213220508.db2.gz QMPVOOPRJDVIOW-GJZGRUSLSA-N 0 0 346.452 3.040 50 0 EGAARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 ZINC000000784028 209686510 /nfs/dbraw/zinc/68/65/10/209686510.db2.gz DXDJOTSSPWUULZ-LBPRGKRZSA-N 0 0 329.787 3.035 50 0 EGAARN CC(=O)Oc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=O)cc1 ZINC000038608369 213217454 /nfs/dbraw/zinc/21/74/54/213217454.db2.gz OHNNFNBOPWLDFH-UHFFFAOYSA-N 0 0 338.315 3.311 50 0 biogenic,in-vitro EGAARN Cc1cc(C)nc(SCC(=O)c2cc3ccccc3oc2=O)n1 ZINC000000617100 209681271 /nfs/dbraw/zinc/68/12/71/209681271.db2.gz HXEUQGOKNYEZTG-UHFFFAOYSA-N 0 0 326.377 3.175 50 0 EGAARN O=C(NC[C@@H]1COC2(CCCCC2)O1)c1nc2ccccc2s1 ZINC000038568577 213215062 /nfs/dbraw/zinc/21/50/62/213215062.db2.gz SRNDAXYVMGHSOL-GFCCVEGCSA-N 0 0 332.425 3.102 50 0 EGAARN CC(C)c1nnc(C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)o1 ZINC000038523092 213213036 /nfs/dbraw/zinc/21/30/36/213213036.db2.gz CVXNFLBKELLLED-UHFFFAOYSA-N 0 0 339.399 3.089 50 0 EGAARN COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000000580701 209670896 /nfs/dbraw/zinc/67/08/96/209670896.db2.gz SOXOQBXCAGAPQE-MDWZMJQESA-N 0 0 344.754 3.152 50 0 EGAARN Clc1cccc(-n2ncc3c4nnc(-c5cccnc5)n4cnc32)c1 ZINC000000540758 209656062 /nfs/dbraw/zinc/65/60/62/209656062.db2.gz LGGKHDKKJCSSCI-UHFFFAOYSA-N 0 0 347.769 3.179 50 0 EGAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2)cc1 ZINC000000533209 209653006 /nfs/dbraw/zinc/65/30/06/209653006.db2.gz OOGBTEKZDKXMPH-IRXDYDNUSA-N 0 0 336.395 3.442 50 0 EGAARN CCOC(=O)[C@H](CC)Oc1ccc2c(C)cc(=O)oc2c1C(=O)CC ZINC000000485524 209630494 /nfs/dbraw/zinc/63/04/94/209630494.db2.gz VKFSZAWYOUCYOO-AWEZNQCLSA-N 0 0 346.379 3.415 50 0 biogenic EGAARN COc1nn(C)cc1C(=O)Nc1ccc2nc(SC)sc2c1 ZINC000036649535 213107842 /nfs/dbraw/zinc/10/78/42/213107842.db2.gz VELNOEQZRACRCN-UHFFFAOYSA-N 0 0 334.426 3.013 50 0 EGAARN Cc1occc1-c1nnc(S[C@H]2COC(=O)C2)n1-c1ccccc1 ZINC000036646346 213107547 /nfs/dbraw/zinc/10/75/47/213107547.db2.gz OWMXDVGCGWOGGT-CYBMUJFWSA-N 0 0 341.392 3.243 50 0 EGAARN COC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000036470672 213099259 /nfs/dbraw/zinc/09/92/59/213099259.db2.gz NLYFFHNUTFDXLO-LBPRGKRZSA-N 0 0 325.364 3.087 50 0 EGAARN CCn1ncc(-c2csc(NC(=O)c3cc(C4CC4)[nH]n3)n2)c1C ZINC000036613721 213101648 /nfs/dbraw/zinc/10/16/48/213101648.db2.gz MNTVNRHNEXAHLK-UHFFFAOYSA-N 0 0 342.428 3.188 50 0 EGAARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(CCC(=O)N(C)C)cc1 ZINC000036565810 213100164 /nfs/dbraw/zinc/10/01/64/213100164.db2.gz JHXLKXBMHCKUGD-OAHLLOKOSA-N 0 0 340.423 3.113 50 0 EGAARN CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000000110524 283284158 /nfs/dbraw/zinc/28/41/58/283284158.db2.gz PZAWOWNIWMCYGH-SFHVURJKSA-N 0 0 348.406 3.080 50 0 EGAARN COc1cccc(-c2nc(CC(=O)Nc3nnc(C)s3)cs2)c1 ZINC000036354546 213088047 /nfs/dbraw/zinc/08/80/47/213088047.db2.gz DTKAIVRJGNKORV-UHFFFAOYSA-N 0 0 346.437 3.160 50 0 EGAARN Cc1noc(C)c1Cc1nn2c(Cc3ccc(F)cc3)nnc2s1 ZINC000071286680 215754274 /nfs/dbraw/zinc/75/42/74/215754274.db2.gz XTSLTYCTAUIAIS-UHFFFAOYSA-N 0 0 343.387 3.111 50 0 EGAARN COc1cccc(-c2nccn2C[C@@H](C)Oc2cccnc2)c1OC ZINC000071748173 215804141 /nfs/dbraw/zinc/80/41/41/215804141.db2.gz WSXXAPPLRIDGBF-CQSZACIVSA-N 0 0 339.395 3.430 50 0 EGAARN CN(C(=O)c1cc2c(nc3ccccn3c2=O)s1)C1CCCCC1 ZINC000000426832 209590808 /nfs/dbraw/zinc/59/08/08/209590808.db2.gz ALJWADZZUCXDTO-UHFFFAOYSA-N 0 0 341.436 3.314 50 0 EGAARN COc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1OC ZINC000032985304 212884127 /nfs/dbraw/zinc/88/41/27/212884127.db2.gz GNKQIJSOEPWXEM-UHFFFAOYSA-N 0 0 325.364 3.141 50 0 EGAARN CCc1ccc(OS(=O)(=O)c2cc(OC)c(C)cc2OC)cc1 ZINC000032602227 212814828 /nfs/dbraw/zinc/81/48/28/212814828.db2.gz HMXIVOFZLPDCKG-UHFFFAOYSA-N 0 0 336.409 3.342 50 0 EGAARN C[C@H](Cc1cnccn1)n1cnc2sc3c(c2c1=O)CCCCC3 ZINC000032592854 212813136 /nfs/dbraw/zinc/81/31/36/212813136.db2.gz SBERSBKGAOMATH-GFCCVEGCSA-N 0 0 340.452 3.321 50 0 EGAARN COc1ccc(F)c(F)c1-c1nccn1[C@H](C)Cc1cnccn1 ZINC000072122248 216015088 /nfs/dbraw/zinc/01/50/88/216015088.db2.gz LRBXULSYMRBPFD-LLVKDONJSA-N 0 0 330.338 3.431 50 0 EGAARN CCc1nn(C)c(Cl)c1CN(C)Cc1cc(-c2ccncc2)no1 ZINC000072138803 216026315 /nfs/dbraw/zinc/02/63/15/216026315.db2.gz APPZHNSTBNFAQS-UHFFFAOYSA-N 0 0 345.834 3.318 50 0 EGAARN CCCN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(SC)cc1 ZINC000072140678 216028070 /nfs/dbraw/zinc/02/80/70/216028070.db2.gz UDZBUMCOMRLKRR-HOTGVXAUSA-N 0 0 343.514 3.113 50 0 EGAARN O=C(Nc1ccc2c(c1)OCO2)N1CCCC[C@H]1CCn1cccn1 ZINC000072162443 216050144 /nfs/dbraw/zinc/05/01/44/216050144.db2.gz LMRMACNWZNXEGF-HNNXBMFYSA-N 0 0 342.399 3.089 50 0 EGAARN CNc1ncccc1C(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000072168668 216059945 /nfs/dbraw/zinc/05/99/45/216059945.db2.gz LBNJMEBSLNXVEU-ZDUSSCGKSA-N 0 0 346.381 3.118 50 0 EGAARN Cc1cccc2c1cnn2CCCNC(=O)COc1ccc(F)cc1 ZINC000072239524 216078669 /nfs/dbraw/zinc/07/86/69/216078669.db2.gz XHNFSWVMJVLJGY-UHFFFAOYSA-N 0 0 341.386 3.069 50 0 EGAARN COc1cccc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)c1 ZINC000072241017 216079782 /nfs/dbraw/zinc/07/97/82/216079782.db2.gz MHCDTWKYMDPCED-UHFFFAOYSA-N 0 0 326.400 3.036 50 0 EGAARN CCCS(=O)(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC000000385973 209565087 /nfs/dbraw/zinc/56/50/87/209565087.db2.gz HNCGEURPCDITJP-MRXNPFEDSA-N 0 0 332.425 3.479 50 0 EGAARN Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000000314292 209532127 /nfs/dbraw/zinc/53/21/27/209532127.db2.gz SYDGZCVKYWZCIR-LBPRGKRZSA-N 0 0 329.787 3.035 50 0 EGAARN Cc1ccc(OCC(=O)Nc2cccc(C)n2)c(Br)c1 ZINC000000299761 209522914 /nfs/dbraw/zinc/52/29/14/209522914.db2.gz HKGXQGPFTRLTNG-UHFFFAOYSA-N 0 0 335.201 3.478 50 0 EGAARN CCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2ccncc2)C1 ZINC000000288119 209519240 /nfs/dbraw/zinc/51/92/40/209519240.db2.gz VQPMPJSWQPLBPC-KRWDZBQOSA-N 0 0 329.787 3.192 50 0 EGAARN COc1ccc(Cl)cc1C(=O)N1CCC(Oc2ccccn2)CC1 ZINC000072292875 216128488 /nfs/dbraw/zinc/12/84/88/216128488.db2.gz QVQSYBGQUITCFK-UHFFFAOYSA-N 0 0 346.814 3.427 50 0 EGAARN COc1ccc(OC)c2c1cc(C(=O)N(C)Cc1ccccc1)n2C ZINC000072326264 216152712 /nfs/dbraw/zinc/15/27/12/216152712.db2.gz CNOBVJCYVLZREU-UHFFFAOYSA-N 0 0 338.407 3.468 50 0 biogenic EGAARN Cc1noc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3)n[nH]2)n1 ZINC000072329844 216153610 /nfs/dbraw/zinc/15/36/10/216153610.db2.gz RUYPDQKDUOFNHI-MRXNPFEDSA-N 0 0 337.383 3.136 50 0 EGAARN Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccnc(Cl)c1 ZINC000072330807 216154732 /nfs/dbraw/zinc/15/47/32/216154732.db2.gz YXITZXWPELLXTD-UHFFFAOYSA-N 0 0 339.178 3.492 50 0 EGAARN Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000000187211 209472091 /nfs/dbraw/zinc/47/20/91/209472091.db2.gz KYSDEHNOMPDZOF-NSHDSACASA-N 0 0 342.782 3.272 50 0 EGAARN CN(C1=C(Cl)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1 ZINC000000149396 209453237 /nfs/dbraw/zinc/45/32/37/209453237.db2.gz MXRSUZMKSLOCAZ-UHFFFAOYSA-N 0 0 340.810 3.185 50 0 EGAARN NC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000000116242 209431386 /nfs/dbraw/zinc/43/13/86/209431386.db2.gz CQAJLDCPKWSVMI-UHFFFAOYSA-N 0 0 339.178 3.110 50 0 EGAARN Cc1c(Nc2ncnc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000113767 209429406 /nfs/dbraw/zinc/42/94/06/209429406.db2.gz NVIVNOZMKBAWMX-UHFFFAOYSA-N 0 0 331.379 3.171 50 0 EGAARN O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)C1CCCCC1 ZINC000000079519 209405903 /nfs/dbraw/zinc/40/59/03/209405903.db2.gz VAPCFQKKYGSKDC-UHFFFAOYSA-N 0 0 331.397 3.453 50 0 EGAARN COc1cc2c(cc1C(=O)N(C)CCc1scnc1C)CCC2 ZINC000072419044 216207458 /nfs/dbraw/zinc/20/74/58/216207458.db2.gz NDYMAESWYADUNU-UHFFFAOYSA-N 0 0 330.453 3.264 50 0 EGAARN COc1ccc(C(=O)Oc2ccc3oc(=O)sc3c2)cc1OC ZINC000000067773 209398834 /nfs/dbraw/zinc/39/88/34/209398834.db2.gz DMTPRTCYSNKJQC-UHFFFAOYSA-N 0 0 332.333 3.091 50 0 EGAARN C[C@@H]1CN(C(=S)NC(=O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000000067521 209398773 /nfs/dbraw/zinc/39/87/73/209398773.db2.gz QSBWCOKUQVPGGA-RKDXNWHRSA-N 0 0 347.267 3.117 50 0 EGAARN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC1CCCCC1 ZINC000000061930 209396232 /nfs/dbraw/zinc/39/62/32/209396232.db2.gz VZIXKVOAOBAKON-QGZVFWFLSA-N 0 0 344.411 3.199 50 0 EGAARN COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(OC)c(=O)c2c1 ZINC000000057858 209393513 /nfs/dbraw/zinc/39/35/13/209393513.db2.gz IEWBNRYNNVFPME-UHFFFAOYSA-N 0 0 342.347 3.494 50 0 EGAARN Cc1cccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)c1 ZINC000000051549 209391033 /nfs/dbraw/zinc/39/10/33/209391033.db2.gz SOGBNVDJNDIHSY-UHFFFAOYSA-N 0 0 340.766 3.330 50 0 EGAARN CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC)c3)CC2=O)cc1 ZINC000000045016 209388606 /nfs/dbraw/zinc/38/86/06/209388606.db2.gz DLSULVDKYYRFIW-HNNXBMFYSA-N 0 0 338.407 3.249 50 0 EGAARN CCCC(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1 ZINC000072433939 216228167 /nfs/dbraw/zinc/22/81/67/216228167.db2.gz UTMRYEJMEBLDIX-UHFFFAOYSA-N 0 0 336.399 3.453 50 0 EGAARN CCCc1cc(N2CCC(CCn3cccn3)CC2)n2nccc2n1 ZINC000072433248 216228414 /nfs/dbraw/zinc/22/84/14/216228414.db2.gz LZGOCAFONPJYHA-UHFFFAOYSA-N 0 0 338.459 3.185 50 0 EGAARN COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000072446731 216236087 /nfs/dbraw/zinc/23/60/87/216236087.db2.gz UGGHHZZHERZAHL-UHFFFAOYSA-N 0 0 348.805 3.450 50 0 EGAARN O=C(c1ncccc1O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000072469429 216249353 /nfs/dbraw/zinc/24/93/53/216249353.db2.gz MUMNDEKQAXBFDC-UHFFFAOYSA-N 0 0 332.787 3.124 50 0 EGAARN CC(=O)C1(c2ccccc2)CCN(C(=O)Cc2ccsc2)CC1 ZINC000072477111 216255514 /nfs/dbraw/zinc/25/55/14/216255514.db2.gz LHBJHHSCZODAKK-UHFFFAOYSA-N 0 0 327.449 3.440 50 0 EGAARN CCn1ccnc1CN1CCC[C@@H](COc2ccc(OC)cc2)C1 ZINC000072480107 216259713 /nfs/dbraw/zinc/25/97/13/216259713.db2.gz RHIGQWGBFGJCLP-MRXNPFEDSA-N 0 0 329.444 3.203 50 0 EGAARN CCn1cncc1CNc1ccc(-c2nc(CC(C)C)no2)cn1 ZINC000072480646 216260336 /nfs/dbraw/zinc/26/03/36/216260336.db2.gz ISBJLDMWIUOYEO-UHFFFAOYSA-N 0 0 326.404 3.159 50 0 EGAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(C(C)C)no1)CC2 ZINC000072645410 216287847 /nfs/dbraw/zinc/28/78/47/216287847.db2.gz OUKUFQRVOHOWFO-UHFFFAOYSA-N 0 0 330.384 3.014 50 0 EGAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1ccsc1 ZINC000023580798 212383465 /nfs/dbraw/zinc/38/34/65/212383465.db2.gz ZELGFKUATPRZDN-ZFWWWQNUSA-N 0 0 348.855 3.400 50 0 EGAARN COc1ccc(OC)c(CN2CCO[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000023337503 212369511 /nfs/dbraw/zinc/36/95/11/212369511.db2.gz XYZNGPSGBSQZLX-IBGZPJMESA-N 0 0 345.414 3.286 50 0 EGAARN COc1cccc(-c2n[nH]c3c2CN(Cc2cccc(C)n2)CC3)c1 ZINC000023338090 212368779 /nfs/dbraw/zinc/36/87/79/212368779.db2.gz WAZJFKYAKVFJMA-UHFFFAOYSA-N 0 0 334.423 3.347 50 0 EGAARN Cc1nc2sc([C@@H](c3ccccc3)[NH+]3CCCCC3)c([O-])n2n1 ZINC000023156757 212356889 /nfs/dbraw/zinc/35/68/89/212356889.db2.gz RQTPOMUHFVWPQS-CQSZACIVSA-N 0 0 328.441 3.380 50 0 EGAARN Cc1cc(C)cc(OCCNS(=O)(=O)c2ccccc2Cl)c1 ZINC000023143538 212356029 /nfs/dbraw/zinc/35/60/29/212356029.db2.gz RMTAOFOBGDWOBN-UHFFFAOYSA-N 0 0 339.844 3.314 50 0 EGAARN CC1CC[NH+]([C@H](c2sc3ncnn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022609635 212310317 /nfs/dbraw/zinc/31/03/17/212310317.db2.gz VBSOTAZBKYJFOI-AWEZNQCLSA-N 0 0 346.431 3.457 50 0 EGAARN Cc1ccc(NC(=O)C(=O)NCC2(c3cccs3)CC2)cc1C ZINC000022682890 212315793 /nfs/dbraw/zinc/31/57/93/212315793.db2.gz BWIBFUGDYQUSOI-UHFFFAOYSA-N 0 0 328.437 3.151 50 0 EGAARN O=C(Cc1cccc2ccccc21)NC[C@@]1(O)CCOc2ccccc21 ZINC000075158128 216590005 /nfs/dbraw/zinc/59/00/05/216590005.db2.gz TTXHOELITCQPIX-QFIPXVFZSA-N 0 0 347.414 3.169 50 0 EGAARN CC[C@H](C(=O)NC[C@H](O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000211087222 241079561 /nfs/dbraw/zinc/07/95/61/241079561.db2.gz QREAYPQWFMKGRM-IRXDYDNUSA-N 0 0 343.423 3.047 50 0 EGAARN O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc2nsnc2c1 ZINC000211116620 241079938 /nfs/dbraw/zinc/07/99/38/241079938.db2.gz XMEGSXJJOMYFOQ-OAHLLOKOSA-N 0 0 338.436 3.090 50 0 EGAARN Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000214969323 241100179 /nfs/dbraw/zinc/10/01/79/241100179.db2.gz MSHVJYDJKUWBGQ-MRXNPFEDSA-N 0 0 337.826 3.158 50 0 EGAARN CC(=O)N[C@H]1CCN(Cc2cc(Cl)c(OC(C)C)c(Cl)c2)C1 ZINC000215201714 241112400 /nfs/dbraw/zinc/11/24/00/241112400.db2.gz OJLRHIMBEZNEPA-ZDUSSCGKSA-N 0 0 345.270 3.491 50 0 EGAARN Cc1ccc2cccc(C(=O)N[C@@H]3CCN(c4nccs4)C3)c2n1 ZINC000206812992 241051508 /nfs/dbraw/zinc/05/15/08/241051508.db2.gz VJALMWYXYGXPFE-CQSZACIVSA-N 0 0 338.436 3.008 50 0 EGAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 ZINC000215713302 241139592 /nfs/dbraw/zinc/13/95/92/241139592.db2.gz PNPOPBRLMMGOTP-UHFFFAOYSA-N 0 0 342.346 3.238 50 0 EGAARN CSc1ncc(CN2CCN(C/C=C/c3ccccc3)CC2)cn1 ZINC000216472144 241195118 /nfs/dbraw/zinc/19/51/18/241195118.db2.gz OOKSUJIHLFOOQH-VMPITWQZSA-N 0 0 340.496 3.030 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328.393 3.260 50 0 EGAARN O=S(=O)(NCCOc1ccccc1)c1ccc2ccccc2c1 ZINC000003059050 452741763 /nfs/dbraw/zinc/74/17/63/452741763.db2.gz JCKYDTNTTUPASA-UHFFFAOYSA-N 0 0 327.405 3.197 50 0 EGAARN O=C(COc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000003516031 452775879 /nfs/dbraw/zinc/77/58/79/452775879.db2.gz PZLFYPHHAMZOGU-UHFFFAOYSA-N 0 0 346.814 3.194 50 0 EGAARN CC(=O)c1c(C)n(Cc2ccccc2)c(=S)nc1N1CCOCC1 ZINC000003648004 452785549 /nfs/dbraw/zinc/78/55/49/452785549.db2.gz YFBOYWRUWBNIKQ-UHFFFAOYSA-N 0 0 343.452 3.009 50 0 EGAARN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccccc1)CC2 ZINC000004090593 452793043 /nfs/dbraw/zinc/79/30/43/452793043.db2.gz GOTRUJXLSUACBV-CQSZACIVSA-N 0 0 340.423 3.262 50 0 biogenic EGAARN COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(N)=O)c1 ZINC000004590450 452810150 /nfs/dbraw/zinc/81/01/50/452810150.db2.gz HFJBRHCYLVGEJA-JZJYNLBNSA-N 0 0 328.755 3.426 50 0 EGAARN Oc1cccc(N2CCN(C(=S)Nc3cc(F)cc(F)c3)CC2)c1 ZINC000004741383 452816723 /nfs/dbraw/zinc/81/67/23/452816723.db2.gz 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/nfs/dbraw/zinc/86/87/57/452868757.db2.gz QBXICWHYHXDKAY-UHFFFAOYSA-N 0 0 329.377 3.017 50 0 EGAARN COc1cc2c(cc1OC)C(=CC(=O)Nc1ccc(C)cc1)NCC2 ZINC000005425803 452871416 /nfs/dbraw/zinc/87/14/16/452871416.db2.gz BFFMIHUTNCBWFI-ATVHPVEESA-N 0 0 338.407 3.138 50 0 EGAARN Cc1ccc([C@@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc1 ZINC000005478024 452876588 /nfs/dbraw/zinc/87/65/88/452876588.db2.gz HYQILVTZJMBHCF-HOTGVXAUSA-N 0 0 337.423 3.289 50 0 EGAARN CCCCOC(=O)c1cccc(Nc2nc(CCC)cc(=O)[nH]2)c1 ZINC000005867832 452907766 /nfs/dbraw/zinc/90/77/66/452907766.db2.gz RAKSMIAVHPOCSJ-UHFFFAOYSA-N 0 0 329.400 3.423 50 0 EGAARN CCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccccc1 ZINC000005878508 452907808 /nfs/dbraw/zinc/90/78/08/452907808.db2.gz UUEQWIZVXBOAQJ-UHFFFAOYSA-N 0 0 339.391 3.394 50 0 EGAARN CCn1c(CCNC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S ZINC000006007253 452914961 /nfs/dbraw/zinc/91/49/61/452914961.db2.gz CFVMDKIOKRWZLW-UHFFFAOYSA-N 0 0 345.255 3.240 50 0 EGAARN CCOc1ccccc1C(=O)OCC(=O)Nc1cc(F)ccc1F ZINC000006539688 452950027 /nfs/dbraw/zinc/95/00/27/452950027.db2.gz BXBDMNMKHMNDNS-UHFFFAOYSA-N 0 0 335.306 3.159 50 0 EGAARN COCCCN1Cn2c3ccccc3nc2N(Cc2ccccc2)C1 ZINC000006664127 452966686 /nfs/dbraw/zinc/96/66/86/452966686.db2.gz MRCOSJHVHBFRRE-UHFFFAOYSA-N 0 0 336.439 3.310 50 0 EGAARN COc1ccc(-c2noc(CN(C)C(=O)Nc3ccccc3)n2)cc1 ZINC000006698057 452968927 /nfs/dbraw/zinc/96/89/27/452968927.db2.gz IYNSRSYAXVSHCL-UHFFFAOYSA-N 0 0 338.367 3.409 50 0 EGAARN CCc1nnc2sc(-c3cccc(NC(=O)c4ccco4)c3)nn12 ZINC000006697971 452969896 /nfs/dbraw/zinc/96/98/96/452969896.db2.gz CFZZQTHERDGTHC-UHFFFAOYSA-N 0 0 339.380 3.261 50 0 EGAARN COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000006699212 452971136 /nfs/dbraw/zinc/97/11/36/452971136.db2.gz LWNDORUAKIORBE-UHFFFAOYSA-N 0 0 343.402 3.497 50 0 EGAARN CCn1c(=O)c2ccccc2n(Cc2cccc3ccccc32)c1=O ZINC000006719917 452975526 /nfs/dbraw/zinc/97/55/26/452975526.db2.gz IYWIZMHJWVWVBS-UHFFFAOYSA-N 0 0 330.387 3.385 50 0 EGAARN COc1ccc(-c2noc(CNC(=O)c3cc(C)cc(C)c3)n2)cc1 ZINC000006729550 452977446 /nfs/dbraw/zinc/97/74/46/452977446.db2.gz ZELVEEVZZUIZIW-UHFFFAOYSA-N 0 0 337.379 3.292 50 0 EGAARN COc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1OC ZINC000006742422 452979664 /nfs/dbraw/zinc/97/96/64/452979664.db2.gz JDNSMNGRMFYTPG-GFCCVEGCSA-N 0 0 345.395 3.212 50 0 EGAARN O=c1c(-c2ccccc2)nnc2sc(CCCc3ccccc3)nn21 ZINC000006759016 452984127 /nfs/dbraw/zinc/98/41/27/452984127.db2.gz NMMYZZWTFWUSFZ-UHFFFAOYSA-N 0 0 348.431 3.388 50 0 EGAARN COC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1/C=C/c1ccccc1 ZINC000006849140 452997501 /nfs/dbraw/zinc/99/75/01/452997501.db2.gz JZAFAUDROYDNPA-LXKVQUBZSA-N 0 0 342.424 3.127 50 0 EGAARN COCCn1c(=O)c2ccccc2nc1SCc1ccccc1 ZINC000006847813 452997966 /nfs/dbraw/zinc/99/79/66/452997966.db2.gz CKJFDIDABGFNFH-UHFFFAOYSA-N 0 0 326.421 3.335 50 0 EGAARN COc1cccc(CNC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1 ZINC000006942860 453009835 /nfs/dbraw/zinc/00/98/35/453009835.db2.gz JSKNOZXBDXBNRP-UHFFFAOYSA-N 0 0 337.379 3.024 50 0 biogenic EGAARN O=C(COC(=O)c1cc(F)cc(F)c1)Nc1ccc(F)c(F)c1 ZINC000007032372 453019513 /nfs/dbraw/zinc/01/95/13/453019513.db2.gz SFNPQINURBSZRX-UHFFFAOYSA-N 0 0 327.233 3.039 50 0 EGAARN COc1ccc(C)cc1NC(=O)COC(=O)c1cc(F)cc(F)c1 ZINC000007032357 453020264 /nfs/dbraw/zinc/02/02/64/453020264.db2.gz GUMJNPWRKWTRIN-UHFFFAOYSA-N 0 0 335.306 3.077 50 0 EGAARN Cc1ccc(CC(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000007069534 453030369 /nfs/dbraw/zinc/03/03/69/453030369.db2.gz JUBPMEFWPZLLMB-QGZVFWFLSA-N 0 0 339.435 3.218 50 0 EGAARN COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(OC)c1 ZINC000007307373 453057170 /nfs/dbraw/zinc/05/71/70/453057170.db2.gz IRXVRRRMWOBHPL-UHFFFAOYSA-N 0 0 325.320 3.063 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2[nH]cnc21 ZINC000007344100 453061616 /nfs/dbraw/zinc/06/16/16/453061616.db2.gz IXLVULBJUYFMPI-UHFFFAOYSA-N 0 0 333.804 3.046 50 0 EGAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000007408406 453073479 /nfs/dbraw/zinc/07/34/79/453073479.db2.gz VEFKQTVOZWTOQV-UHFFFAOYSA-N 0 0 326.396 3.430 50 0 EGAARN COc1cc(OC)cc(C(=O)OCc2nc(-c3ccccc3)no2)c1 ZINC000007434572 453075878 /nfs/dbraw/zinc/07/58/78/453075878.db2.gz JLTUZYSEZRCZEB-UHFFFAOYSA-N 0 0 340.335 3.111 50 0 EGAARN COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1cccc(C)c1C ZINC000007455890 453078763 /nfs/dbraw/zinc/07/87/63/453078763.db2.gz JBZAOGJJCLCANC-UHFFFAOYSA-N 0 0 349.390 3.110 50 0 EGAARN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O ZINC000008217318 453178161 /nfs/dbraw/zinc/17/81/61/453178161.db2.gz IXLBXNBIOYHQKX-QGZVFWFLSA-N 0 0 334.419 3.475 50 0 EGAARN NC(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000008403570 453201314 /nfs/dbraw/zinc/20/13/14/453201314.db2.gz CBGYTUQURIZTRZ-UHFFFAOYSA-N 0 0 332.285 3.491 50 0 EGAARN CC[C@H](C)[C@H](N)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000008481241 453206587 /nfs/dbraw/zinc/20/65/87/453206587.db2.gz GMRGYTDSFRWPLC-HZMBPMFUSA-N 0 0 348.472 3.463 50 0 EGAARN O=C(NC[C@@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1 ZINC000008563514 453215336 /nfs/dbraw/zinc/21/53/36/453215336.db2.gz VTEGYNMIQSSZKT-IBGZPJMESA-N 0 0 341.407 3.053 50 0 EGAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000008680767 453221792 /nfs/dbraw/zinc/22/17/92/453221792.db2.gz FFNHWGIAKPSZGE-UHFFFAOYSA-N 0 0 339.420 3.271 50 0 aggregator EGAARN COCCOc1ccc(C(=O)N2CCCCC2)cc1Br ZINC000008722900 453225752 /nfs/dbraw/zinc/22/57/52/453225752.db2.gz KUYLEZIPQRFCEG-UHFFFAOYSA-N 0 0 342.233 3.100 50 0 EGAARN CCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C ZINC000008714863 453226440 /nfs/dbraw/zinc/22/64/40/453226440.db2.gz NBPNIHBXTHYHDQ-UHFFFAOYSA-N 0 0 325.455 3.324 50 0 EGAARN COc1ccc(-c2nnc3ccc(NCCc4ccccc4)nn32)cc1 ZINC000009340424 453251071 /nfs/dbraw/zinc/25/10/71/453251071.db2.gz DLWMEFYDEIRJDZ-UHFFFAOYSA-N 0 0 345.406 3.455 50 0 EGAARN C[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2Cl)C[C@@H](C)O1 ZINC000009627330 453256943 /nfs/dbraw/zinc/25/69/43/453256943.db2.gz NMSWDQCESUFIPK-VXGBXAGGSA-N 0 0 343.818 3.083 50 0 EGAARN CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 ZINC000009827700 453261915 /nfs/dbraw/zinc/26/19/15/453261915.db2.gz RQDZWNBFWJLIIH-UHFFFAOYSA-N 0 0 326.371 3.306 50 0 EGAARN O=S(=O)(Cc1ccc(F)cc1)NCC1(c2ccc(F)cc2)CC1 ZINC000011901961 453337191 /nfs/dbraw/zinc/33/71/91/453337191.db2.gz WXVJOKGUTGPZEX-UHFFFAOYSA-N 0 0 337.391 3.116 50 0 EGAARN c1csc(CNc2nc(CN3CCOCC3)nc3ccccc32)c1 ZINC000012126350 453345457 /nfs/dbraw/zinc/34/54/57/453345457.db2.gz INNJNTCSCOQSJB-UHFFFAOYSA-N 0 0 340.452 3.136 50 0 EGAARN Cc1cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)no1 ZINC000012615199 453383674 /nfs/dbraw/zinc/38/36/74/453383674.db2.gz DFTGIHVXUATLKX-UHFFFAOYSA-N 0 0 332.747 3.258 50 0 EGAARN COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1C ZINC000012714616 453392402 /nfs/dbraw/zinc/39/24/02/453392402.db2.gz YZPQJMCHOFAYHO-KRWDZBQOSA-N 0 0 341.455 3.140 50 0 EGAARN O=C(CCn1cccn1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000012704130 453392712 /nfs/dbraw/zinc/39/27/12/453392712.db2.gz IDLVAPPGQBHSRP-MRXNPFEDSA-N 0 0 347.409 3.423 50 0 EGAARN Cc1ccc(CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)o1 ZINC000012763709 453401046 /nfs/dbraw/zinc/40/10/46/453401046.db2.gz MGYCVNPRWDVDNT-UHFFFAOYSA-N 0 0 339.395 3.138 50 0 EGAARN Cc1ccn(CC(=O)N2CCC[C@H](CCc3ccccc3C)C2)n1 ZINC000012835111 453413545 /nfs/dbraw/zinc/41/35/45/453413545.db2.gz WKXHYTHMXKSUBQ-GOSISDBHSA-N 0 0 325.456 3.371 50 0 EGAARN COc1ccc2[nH]c(SCC(=O)NCc3ccc(F)cc3)nc2c1 ZINC000012860007 453415688 /nfs/dbraw/zinc/41/56/88/453415688.db2.gz VOHXFTXVUQMBKX-UHFFFAOYSA-N 0 0 345.399 3.119 50 0 EGAARN O=C(Nc1ccc(F)cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000013324832 453457508 /nfs/dbraw/zinc/45/75/08/453457508.db2.gz PQHOJPRUNGNYPG-UHFFFAOYSA-N 0 0 329.375 3.302 50 0 EGAARN O=C(c1ccncc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000013331796 453459204 /nfs/dbraw/zinc/45/92/04/453459204.db2.gz HQPGNDUBKRUYKA-UHFFFAOYSA-N 0 0 336.222 3.351 50 0 EGAARN COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1F ZINC000013327556 453459696 /nfs/dbraw/zinc/45/96/96/453459696.db2.gz BUZRQSDJBDFZFG-JTQLQIEISA-N 0 0 335.306 3.157 50 0 EGAARN O=C(NC1CC1)c1c2c(sc1NC(=O)c1ccncc1)CCCC2 ZINC000013328160 453460088 /nfs/dbraw/zinc/46/00/88/453460088.db2.gz HKUGEVKUGVWMBY-UHFFFAOYSA-N 0 0 341.436 3.166 50 0 EGAARN O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc2c(c1)OCCO2 ZINC000013573934 453472106 /nfs/dbraw/zinc/47/21/06/453472106.db2.gz DDNSYKHJKZIJLY-UHFFFAOYSA-N 0 0 336.347 3.294 50 0 EGAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3nncs3)c12 ZINC000013642159 453476176 /nfs/dbraw/zinc/47/61/76/453476176.db2.gz XOBVFRVZCLALKC-UHFFFAOYSA-N 0 0 343.393 3.364 50 0 EGAARN CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000013745786 453487006 /nfs/dbraw/zinc/48/70/06/453487006.db2.gz DRUALLYYGXNEMR-AWEZNQCLSA-N 0 0 338.473 3.236 50 0 EGAARN C/C=C/c1ccc(OCCSc2nc(C)cc(=O)[nH]2)c(OC)c1 ZINC000013763743 453488340 /nfs/dbraw/zinc/48/83/40/453488340.db2.gz ONRWDVPYYMPKEZ-SNAWJCMRSA-N 0 0 332.425 3.291 50 0 EGAARN O=C(NC[C@@H]1CCCO1)c1ccccc1OCCOc1ccccc1 ZINC000014040469 453500018 /nfs/dbraw/zinc/50/00/18/453500018.db2.gz BGVKRMRCELUAGS-KRWDZBQOSA-N 0 0 341.407 3.053 50 0 EGAARN COc1ccc(NC(=O)c2cc(C)nc3onc(C)c32)cc1OC ZINC000014264017 453527701 /nfs/dbraw/zinc/52/77/01/453527701.db2.gz HGAYLBZRVZAFOR-UHFFFAOYSA-N 0 0 327.340 3.109 50 0 EGAARN O=C(NCCc1cccc(F)c1)[C@H]1CC(Cc2ccc(F)cc2)=NO1 ZINC000014883781 453546092 /nfs/dbraw/zinc/54/60/92/453546092.db2.gz GHFOEXNKAWUWJX-GOSISDBHSA-N 0 0 344.361 3.011 50 0 EGAARN Cc1cccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 ZINC000015076651 453554279 /nfs/dbraw/zinc/55/42/79/453554279.db2.gz WPASKCFQFVGJTB-UHFFFAOYSA-N 0 0 348.406 3.067 50 0 EGAARN Cc1ccc(-c2nc(SCC(=O)NCc3ccccc3)n[nH]2)cc1 ZINC000015225554 453561975 /nfs/dbraw/zinc/56/19/75/453561975.db2.gz FWHIAOJWUNMPHB-UHFFFAOYSA-N 0 0 338.436 3.189 50 0 EGAARN Cc1ccccc1NC(=O)C1(OC(=O)c2cc[nH]n2)CCCCC1 ZINC000015413715 453571646 /nfs/dbraw/zinc/57/16/46/453571646.db2.gz HTAVWHITJYCOQA-UHFFFAOYSA-N 0 0 327.384 3.217 50 0 EGAARN CCCSc1nc(=O)n(-c2cccc(C(C)=O)c2)c2c1CCC2 ZINC000015840535 453586775 /nfs/dbraw/zinc/58/67/75/453586775.db2.gz 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O=C(NCCCSCc1ccc(F)cc1)[C@H]1CCC[C@H](O)C1 ZINC000219754709 456036998 /nfs/dbraw/zinc/03/69/98/456036998.db2.gz CCUKYIOMGQHDKA-HOCLYGCPSA-N 0 0 325.449 3.116 50 0 EGAARN Cc1cc(CC(=O)NCc2cc(COc3ccccc3)cs2)on1 ZINC000220658177 456040286 /nfs/dbraw/zinc/04/02/86/456040286.db2.gz MCJNBKQIPRHLIS-UHFFFAOYSA-N 0 0 342.420 3.482 50 0 EGAARN O=C(c1ccc(Cl)cc1O)N1CCC(CCn2cccn2)CC1 ZINC000221378083 456043106 /nfs/dbraw/zinc/04/31/06/456043106.db2.gz DYZHPKPEDJKACG-UHFFFAOYSA-N 0 0 333.819 3.185 50 0 EGAARN Cc1cc(C(=O)N2CCC(Oc3ccccc3C)CC2)nc(C)n1 ZINC000222293388 456046157 /nfs/dbraw/zinc/04/61/57/456046157.db2.gz HIQXOXZXYAEWRW-UHFFFAOYSA-N 0 0 325.412 3.085 50 0 EGAARN Cc1ccc([C@H](C)NC(=O)c2cc(-c3cccs3)n(C)n2)nc1 ZINC000222408343 456047651 /nfs/dbraw/zinc/04/76/51/456047651.db2.gz AGQNSJPTMIMKEF-LBPRGKRZSA-N 0 0 326.425 3.343 50 0 EGAARN O=C(Cc1ccsc1)NCCc1csc(-c2ccncc2)n1 ZINC000222793753 456050814 /nfs/dbraw/zinc/05/08/14/456050814.db2.gz HXDWOXLGKYJWKC-UHFFFAOYSA-N 0 0 329.450 3.168 50 0 EGAARN CC(C)n1ccnc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000222982421 456052809 /nfs/dbraw/zinc/05/28/09/456052809.db2.gz RVWUZPBPXAMGCJ-UHFFFAOYSA-N 0 0 325.334 3.342 50 0 EGAARN CC(C)c1noc([C@H]2CCCCN2C(=O)CSc2ccncc2)n1 ZINC000223384841 456056437 /nfs/dbraw/zinc/05/64/37/456056437.db2.gz ZKOVLRUCFUVUPE-CQSZACIVSA-N 0 0 346.456 3.434 50 0 EGAARN COCC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2F)CCO1 ZINC000223896086 456061976 /nfs/dbraw/zinc/06/19/76/456061976.db2.gz PAONLOJMPVOQQY-HNNXBMFYSA-N 0 0 343.398 3.370 50 0 EGAARN COc1ccccc1OCC(=O)NCc1ccnc(-c2ccco2)c1 ZINC000225654880 456101849 /nfs/dbraw/zinc/10/18/49/456101849.db2.gz JNGTZKZGOBWQGE-UHFFFAOYSA-N 0 0 338.363 3.045 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H]2CCOC2)nc1 ZINC000225708816 456105211 /nfs/dbraw/zinc/10/52/11/456105211.db2.gz HRXWTPYGMKMYNV-CYBMUJFWSA-N 0 0 332.787 3.463 50 0 EGAARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)/C=C/c1ccsc1 ZINC000225710934 456105560 /nfs/dbraw/zinc/10/55/60/456105560.db2.gz WIGGDPCQLJMDEI-ZLHKHBAESA-N 0 0 343.448 3.110 50 0 EGAARN CCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccccc1 ZINC000230513592 456138893 /nfs/dbraw/zinc/13/88/93/456138893.db2.gz BHOWTBQEZQXHME-UHFFFAOYSA-N 0 0 339.844 3.260 50 0 EGAARN O=C(Cn1cnc2ccccc21)NCc1ccc(-c2ccoc2)nc1 ZINC000390831015 457444961 /nfs/dbraw/zinc/44/49/61/457444961.db2.gz PCLYZRLAPSGVME-UHFFFAOYSA-N 0 0 332.363 3.008 50 0 EGAARN Cc1ccc2c(ccn2CCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000409412972 457598144 /nfs/dbraw/zinc/59/81/44/457598144.db2.gz JXXFHVUMCIJHDE-NQIIRXRSSA-N 0 0 340.467 3.493 50 0 biogenic EGAARN COC1CCN(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000426377936 457816558 /nfs/dbraw/zinc/81/65/58/457816558.db2.gz IKOXPSBYXAGBJU-SFHVURJKSA-N 0 0 343.402 3.131 50 0 EGAARN O=C(C1Cc2ccccc2C1)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000426387119 457819472 /nfs/dbraw/zinc/81/94/72/457819472.db2.gz PRWYIVIBSWULDD-HXUWFJFHSA-N 0 0 336.435 3.004 50 0 EGAARN FC(F)(F)c1cccc(CCNc2cc([C@H]3CCOC3)ncn2)c1 ZINC000426395447 457820689 /nfs/dbraw/zinc/82/06/89/457820689.db2.gz 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CC(C)Cn1cncc1CNC(=O)c1ccc(-c2ncccc2N)cc1 ZINC000426697597 457879414 /nfs/dbraw/zinc/87/94/14/457879414.db2.gz VGTGIESGPSAMRI-UHFFFAOYSA-N 0 0 349.438 3.113 50 0 EGAARN C[C@H](NC(=O)c1cccc(-c2ncccc2N)c1)c1nc(C2CC2)no1 ZINC000426719844 457884334 /nfs/dbraw/zinc/88/43/34/457884334.db2.gz KEVFXEYRNMLWGR-NSHDSACASA-N 0 0 349.394 3.082 50 0 EGAARN COCC1(CNC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC000534644737 459341743 /nfs/dbraw/zinc/34/17/43/459341743.db2.gz RMZZPWJQVUUDMU-UHFFFAOYSA-N 0 0 334.435 3.216 50 0 EGAARN CCCC[C@@H](NC(=O)N1CC(n2nc(C)cc2C)C1)c1cccnc1 ZINC000534653789 459343504 /nfs/dbraw/zinc/34/35/04/459343504.db2.gz ZUSMCUSEUNAIQE-GOSISDBHSA-N 0 0 341.459 3.393 50 0 EGAARN Cc1cccc([C@H](C(=O)[O-])[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000526055996 459540940 /nfs/dbraw/zinc/54/09/40/459540940.db2.gz KJWWVIUPQVRTME-MRXNPFEDSA-N 0 0 348.443 3.110 50 0 EGAARN COc1cccc(SCC(=O)N(C)CCCc2c(C)n[nH]c2C)c1 ZINC000584898380 459820426 /nfs/dbraw/zinc/82/04/26/459820426.db2.gz 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O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000244933336 526952809 /nfs/dbraw/zinc/95/28/09/526952809.db2.gz CMMXKROLHGTZTO-VAMGGRTRSA-N 0 0 337.419 3.420 50 0 EGAARN CCCc1nnsc1C(=O)N1CCS[C@H](c2ccco2)CC1 ZINC000219401535 535551448 /nfs/dbraw/zinc/55/14/48/535551448.db2.gz KFEAWNPYBDHEAV-ZDUSSCGKSA-N 0 0 337.470 3.404 50 0 EGAARN CCN1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000214964189 535784344 /nfs/dbraw/zinc/78/43/44/535784344.db2.gz QWCOXIRQHBRHNW-FQEVSTJZSA-N 0 0 333.435 3.231 50 0 EGAARN CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc3cccc(OC)c3n2)C1 ZINC000215175732 536026630 /nfs/dbraw/zinc/02/66/30/536026630.db2.gz MQVBNRLBUVVFRI-LJQANCHMSA-N 0 0 328.412 3.320 50 0 EGAARN COc1cc(C)sc1C(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000252527616 536710817 /nfs/dbraw/zinc/71/08/17/536710817.db2.gz CZWHBDWZVBMPEP-BZUAXINKSA-N 0 0 345.464 3.177 50 0 EGAARN COc1ccc(C(=O)NC[C@@H](O)c2cccc3ccccc32)cc1F ZINC000206701607 536742131 /nfs/dbraw/zinc/74/21/31/536742131.db2.gz 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COc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 ZINC000003386882 210024878 /nfs/dbraw/zinc/02/48/78/210024878.db2.gz FJPVTGFIFDVFTJ-UHFFFAOYSA-N 0 0 343.379 3.116 50 0 EGAARN O=C(COC(=O)c1cccc(Cl)c1)NCc1ccccc1Cl ZINC000003385818 210023454 /nfs/dbraw/zinc/02/34/54/210023454.db2.gz IYLCFCSVGHQXQM-UHFFFAOYSA-N 0 0 338.190 3.467 50 0 EGAARN C=Cc1ccc(Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000067260002 215129064 /nfs/dbraw/zinc/12/90/64/215129064.db2.gz KERHYCSSTUMNAW-UHFFFAOYSA-N 0 0 346.365 3.388 50 0 EGAARN Cc1ccc(Nc2nn[nH]c2C(=O)NC2CCC(C)CC2)cc1C ZINC000067283850 215130466 /nfs/dbraw/zinc/13/04/66/215130466.db2.gz IPEPOVBOOLMNAA-UHFFFAOYSA-N 0 0 327.432 3.474 50 0 EGAARN COc1cccc([C@@H](C)NC(=O)COC(=O)c2ccc(C)c(F)c2)c1 ZINC000067198365 215122868 /nfs/dbraw/zinc/12/28/68/215122868.db2.gz FNMSQMUEBDWCJX-CYBMUJFWSA-N 0 0 345.370 3.177 50 0 EGAARN CC(=O)c1ccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000067206200 215124332 /nfs/dbraw/zinc/12/43/32/215124332.db2.gz IRZOPZYOTZUGHL-UHFFFAOYSA-N 0 0 340.398 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LFXOKILFWXRMBG-HNNXBMFYSA-N 0 0 328.460 3.006 50 0 EGAARN Cc1ncccc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000067755947 215205367 /nfs/dbraw/zinc/20/53/67/215205367.db2.gz JUDLUSXLFVGARH-UHFFFAOYSA-N 0 0 346.434 3.351 50 0 EGAARN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000067801010 215215634 /nfs/dbraw/zinc/21/56/34/215215634.db2.gz XVMIRGJDFXYADQ-UHFFFAOYSA-N 0 0 326.387 3.454 50 0 EGAARN COC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)cc(C(=O)OC)c1 ZINC000002891097 209938164 /nfs/dbraw/zinc/93/81/64/209938164.db2.gz LAQRXJBCWQVNOZ-UHFFFAOYSA-N 0 0 342.351 3.212 50 0 EGAARN Cc1nc([C@@H](C)c2n[nH]c(=O)c3ccccc32)n(-c2ccc(F)cc2)n1 ZINC000067834064 215224654 /nfs/dbraw/zinc/22/46/54/215224654.db2.gz FPLBZHQQEVCGIR-NSHDSACASA-N 0 0 349.369 3.103 50 0 EGAARN CC(=O)c1cccc(OCc2cc(C(=O)N3[C@H](C)CC[C@H]3C)n[nH]2)c1 ZINC000067804313 215216408 /nfs/dbraw/zinc/21/64/08/215216408.db2.gz OBRKCTNLQWIYHA-CHWSQXEVSA-N 0 0 341.411 3.204 50 0 EGAARN Cc1nc(CC(=O)N(C)Cc2c[nH]nc2-c2ccccc2)c(C)s1 ZINC000067847589 215229353 /nfs/dbraw/zinc/22/93/53/215229353.db2.gz OSMBMMDFDMDDID-UHFFFAOYSA-N 0 0 340.452 3.351 50 0 EGAARN Cc1nnc(SCCC(=O)N2CC[C@@H]2c2ccc(F)cc2)s1 ZINC000067852251 215231198 /nfs/dbraw/zinc/23/11/98/215231198.db2.gz UQTNUEDGELVEHO-CYBMUJFWSA-N 0 0 337.445 3.441 50 0 EGAARN CC[C@@H](C(=O)Nc1nnc(SCCOC)s1)c1ccccc1 ZINC000002865476 209930925 /nfs/dbraw/zinc/93/09/25/209930925.db2.gz QNMDFIVSHZBYKB-GFCCVEGCSA-N 0 0 337.470 3.409 50 0 EGAARN COc1ccccc1OCc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)n[nH]1 ZINC000067868364 215234120 /nfs/dbraw/zinc/23/41/20/215234120.db2.gz WXJLXZJYUUOLKR-BETUJISGSA-N 0 0 329.400 3.010 50 0 EGAARN CC(C)c1noc([C@H]2CCCN2C(=O)c2coc3c2C(=O)CCC3)n1 ZINC000067884087 215240384 /nfs/dbraw/zinc/24/03/84/215240384.db2.gz YKDYWFYVNAEXBH-GFCCVEGCSA-N 0 0 343.383 3.282 50 0 EGAARN COC(=O)c1ccn(Cc2nc(-c3ccccc3Cl)oc2C)n1 ZINC000067908720 215246873 /nfs/dbraw/zinc/24/68/73/215246873.db2.gz SKXCAVKMRQVIHV-UHFFFAOYSA-N 0 0 331.759 3.335 50 0 EGAARN c1cnn(-c2ccc(Oc3ccccc3CN3CCOCC3)cc2)c1 ZINC000067920678 215249400 /nfs/dbraw/zinc/24/94/00/215249400.db2.gz MOXOIHRDQHATRN-UHFFFAOYSA-N 0 0 335.407 3.497 50 0 EGAARN c1nc(-c2ccccc2)c([C@@H]2CCOC2)n1Cc1n[nH]c2c1CCC2 ZINC000067921769 215251829 /nfs/dbraw/zinc/25/18/29/215251829.db2.gz SRYSJNZBGDKRNC-OAHLLOKOSA-N 0 0 334.423 3.314 50 0 EGAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4n3CCCC4)cc2)n1 ZINC000067934639 215252277 /nfs/dbraw/zinc/25/22/77/215252277.db2.gz LRWCWCJLBRWHRX-UHFFFAOYSA-N 0 0 335.411 3.274 50 0 EGAARN CN(Cc1cccc2cnccc21)C(=O)CCc1[nH]nc2c1CCCC2 ZINC000067947642 215256428 /nfs/dbraw/zinc/25/64/28/215256428.db2.gz UAQKHSHZWBWIKO-UHFFFAOYSA-N 0 0 348.450 3.428 50 0 EGAARN CCn1nc(C)c([C@H](C)NC(=O)c2ccccc2-c2ncc[nH]2)c1C ZINC000067966470 215261956 /nfs/dbraw/zinc/26/19/56/215261956.db2.gz RCRZHMXUMYRGCR-LBPRGKRZSA-N 0 0 337.427 3.401 50 0 EGAARN CCn1ncc(Br)c1C(=O)Nc1cc(F)ccc1F ZINC000002763483 209905262 /nfs/dbraw/zinc/90/52/62/209905262.db2.gz TXWQQUGBYHNHKA-UHFFFAOYSA-N 0 0 330.132 3.196 50 0 EGAARN CCCCn1nc(NC(=O)COC)c2cc3cc(C)ccc3nc21 ZINC000002368826 209844729 /nfs/dbraw/zinc/84/47/29/209844729.db2.gz TYLBDRBNJINLHZ-UHFFFAOYSA-N 0 0 326.400 3.278 50 0 EGAARN Cn1nc(C(=O)Nc2cccc(F)c2)cc1NC(=O)c1cccs1 ZINC000040745881 213381742 /nfs/dbraw/zinc/38/17/42/213381742.db2.gz JQNYJQGSQHKOPY-UHFFFAOYSA-N 0 0 344.371 3.125 50 0 EGAARN CSc1ccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc1 ZINC000104400247 219383437 /nfs/dbraw/zinc/38/34/37/219383437.db2.gz BRSPYIHZWZIYSG-GOSISDBHSA-N 0 0 336.545 3.323 50 0 EGAARN COc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CCOCC2)cc1 ZINC000069158315 215366179 /nfs/dbraw/zinc/36/61/79/215366179.db2.gz XRKJFNWUCBNUPH-OAHLLOKOSA-N 0 0 340.423 3.023 50 0 EGAARN CCCCN1c2ccccc2[C@@](O)([C@H]2CCc3ccccc3C2=O)C1=O ZINC000002334099 282811085 /nfs/dbraw/zinc/81/10/85/282811085.db2.gz FJGITQPLSUGVSU-PGRDOPGGSA-N 0 0 349.430 3.466 50 0 EGAARN CCc1nc2ccccc2c(=O)n1CC(=O)N(CC)c1cccc(C)c1 ZINC000040478646 213314041 /nfs/dbraw/zinc/31/40/41/213314041.db2.gz QFKIFCOZWNYKQE-UHFFFAOYSA-N 0 0 349.434 3.320 50 0 EGAARN CCc1cccc(CC)c1NC(=O)[C@H](C)n1c(C)cc(C)nc1=O ZINC000001792167 209793879 /nfs/dbraw/zinc/79/38/79/209793879.db2.gz ZNBNFOQPYIPUQF-AWEZNQCLSA-N 0 0 327.428 3.185 50 0 EGAARN O=C(Cn1ccc2c1cccc2Br)NCc1ccncc1 ZINC000040286931 213289241 /nfs/dbraw/zinc/28/92/41/213289241.db2.gz JZFOHIHWVAAJDA-UHFFFAOYSA-N 0 0 344.212 3.115 50 0 EGAARN Cc1nc(Cc2nn3c(nnc3-c3ccc(F)cc3)s2)cs1 ZINC000040283106 213286883 /nfs/dbraw/zinc/28/68/83/213286883.db2.gz BDTPKUIYKIMFLN-UHFFFAOYSA-N 0 0 331.401 3.348 50 0 EGAARN Fc1cc(-c2nn3c(nnc3-c3ccncc3)s2)cc(F)c1F ZINC000040267544 213285787 /nfs/dbraw/zinc/28/57/87/213285787.db2.gz HYNSOZGWBANMQO-UHFFFAOYSA-N 0 0 333.298 3.332 50 0 EGAARN FC(F)(F)c1nnc2n1N=C(c1ccc(-n3cccc3)cc1)CS2 ZINC000001432719 282937296 /nfs/dbraw/zinc/93/72/96/282937296.db2.gz WCXWQDPPIJZQEK-UHFFFAOYSA-N 0 0 349.341 3.446 50 0 EGAARN CCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccccc2)C1=O ZINC000001320475 209725361 /nfs/dbraw/zinc/72/53/61/209725361.db2.gz MCAFJAOSGCELRP-SFHVURJKSA-N 0 0 329.783 3.167 50 0 EGAARN Cc1cc(C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)c(C)o1 ZINC000038754857 213224363 /nfs/dbraw/zinc/22/43/63/213224363.db2.gz YOYHGALGBABGLJ-UHFFFAOYSA-N 0 0 340.335 3.210 50 0 EGAARN COc1ccc(-c2cc(COC(=O)Cc3c(C)noc3C)no2)cc1 ZINC000038766666 213225400 /nfs/dbraw/zinc/22/54/00/213225400.db2.gz RTOPTCMPPGNEBC-UHFFFAOYSA-N 0 0 342.351 3.241 50 0 EGAARN COc1cc2cccnc2c(NC(=O)c2cc(-c3ccco3)[nH]n2)c1 ZINC000038679554 213220287 /nfs/dbraw/zinc/22/02/87/213220287.db2.gz ITIGCXISVWPZDJ-UHFFFAOYSA-N 0 0 334.335 3.479 50 0 EGAARN O=C(Nc1nnc(Cc2ccccc2)o1)Nc1ccc2c(c1)OCO2 ZINC000038551166 213214542 /nfs/dbraw/zinc/21/45/42/213214542.db2.gz OUGACPKVJCKNPF-UHFFFAOYSA-N 0 0 338.323 3.033 50 0 EGAARN Cc1cc(Br)cc(S(=O)(=O)NCc2ccccc2)c1 ZINC000038536930 213213200 /nfs/dbraw/zinc/21/32/00/213213200.db2.gz BXIBJXHCGWEKOT-UHFFFAOYSA-N 0 0 340.242 3.236 50 0 EGAARN COc1ccc(OC)c([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)c1 ZINC000000565681 209665864 /nfs/dbraw/zinc/66/58/64/209665864.db2.gz ZGUFOCOCCZWAAX-INIZCTEOSA-N 0 0 344.436 3.498 50 0 biogenic EGAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1ccccn1 ZINC000000530369 209650370 /nfs/dbraw/zinc/65/03/70/209650370.db2.gz YRDDNVKIZIIQGN-UHFFFAOYSA-N 0 0 333.420 3.499 50 0 EGAARN CCOC(=O)c1sc(C)c2c1N[C@@](C)(c1cccs1)NC2=O ZINC000000510317 209640363 /nfs/dbraw/zinc/64/03/63/209640363.db2.gz UGUSFEIFDZORLU-OAHLLOKOSA-N 0 0 336.438 3.323 50 0 EGAARN O=C(c1ccccc1)N1N=CC[C@@]1(O)c1ccc(Br)cc1 ZINC000000500882 209636555 /nfs/dbraw/zinc/63/65/55/209636555.db2.gz VJJDUMIQEDFLAX-MRXNPFEDSA-N 0 0 345.196 3.126 50 0 EGAARN O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1F ZINC000036699946 213110588 /nfs/dbraw/zinc/11/05/88/213110588.db2.gz WIXGIWKWMXUODH-IBGZPJMESA-N 0 0 342.414 3.019 50 0 EGAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccoc1 ZINC000036611908 213101696 /nfs/dbraw/zinc/10/16/96/213101696.db2.gz YCMIQUYKNOOSDN-INIZCTEOSA-N 0 0 335.367 3.107 50 0 EGAARN COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@H]1C(=O)Nc2ccccc21 ZINC000036365238 213091078 /nfs/dbraw/zinc/09/10/78/213091078.db2.gz FPCXWEHGQQYMNY-HNNXBMFYSA-N 0 0 336.347 3.454 50 0 EGAARN Cc1c(-c2nn3c(nnc3-c3ccc(Cl)cc3)s2)cnn1C ZINC000036360665 213090899 /nfs/dbraw/zinc/09/08/99/213090899.db2.gz GLYCIEMJVFRRNF-UHFFFAOYSA-N 0 0 330.804 3.215 50 0 EGAARN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCCCC3)c2c1 ZINC000036365550 213090421 /nfs/dbraw/zinc/09/04/21/213090421.db2.gz SEUQLFWQVRYZLW-KRWDZBQOSA-N 0 0 343.427 3.374 50 0 EGAARN O=C1CSc2ccc(S(=O)(=O)NC3CCCCCC3)cc2N1 ZINC000036357802 213088904 /nfs/dbraw/zinc/08/89/04/213088904.db2.gz KNIPFLTZDNEBKM-UHFFFAOYSA-N 0 0 340.470 3.381 50 0 EGAARN COc1ccc(-c2nnsc2C(=O)NCc2ccc(F)cc2)cc1 ZINC000036353638 213088197 /nfs/dbraw/zinc/08/81/97/213088197.db2.gz AZXYPKIANZKQCV-UHFFFAOYSA-N 0 0 343.383 3.283 50 0 EGAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000000471012 291116209 /nfs/dbraw/zinc/11/62/09/291116209.db2.gz YKNLYOFSMBDTDR-IUCAKERBSA-N 0 0 338.292 3.177 50 0 EGAARN COc1ccc(-c2noc(CCNC(=O)c3cccc(C)c3)n2)cc1 ZINC000035681720 213046197 /nfs/dbraw/zinc/04/61/97/213046197.db2.gz MQCVVNUGVUDJFU-UHFFFAOYSA-N 0 0 337.379 3.026 50 0 EGAARN O=C([O-])C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1ccccc1 ZINC000252489257 304073571 /nfs/dbraw/zinc/07/35/71/304073571.db2.gz JNEIVFJBECCQSI-QGZVFWFLSA-N 0 0 344.455 3.117 50 0 EGAARN O=C(Nc1nc2c(s1)CCCC2)C(=O)c1c[nH]c2ccccc12 ZINC000002842829 295968683 /nfs/dbraw/zinc/96/86/83/295968683.db2.gz GYJFUYARPQXHLM-UHFFFAOYSA-N 0 0 325.393 3.325 50 0 EGAARN COC(OC)c1cnc(Br)c(NC(=O)C(C)(C)C)c1 ZINC000035270563 213017287 /nfs/dbraw/zinc/01/72/87/213017287.db2.gz JHMUBDBYWXYWDS-UHFFFAOYSA-N 0 0 331.210 3.120 50 0 EGAARN Cc1cc(C)n([C@@H](C)CNc2nccc(CCC(F)(F)F)n2)n1 ZINC000071736329 215800692 /nfs/dbraw/zinc/80/06/92/215800692.db2.gz HQRSTVDLZYHKQE-LBPRGKRZSA-N 0 0 327.354 3.458 50 0 EGAARN CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccc(OC)c1)C2 ZINC000000427667 209592610 /nfs/dbraw/zinc/59/26/10/209592610.db2.gz CAPWQAKRLXIFQG-CYBMUJFWSA-N 0 0 327.380 3.421 50 0 EGAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(C)n2)cc1 ZINC000033325063 212926056 /nfs/dbraw/zinc/92/60/56/212926056.db2.gz AVMSXGJQZKVJFT-UHFFFAOYSA-N 0 0 339.351 3.071 50 0 EGAARN O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1cccnc1 ZINC000032101767 212789692 /nfs/dbraw/zinc/78/96/92/212789692.db2.gz KCWNICXIUUYOLW-UHFFFAOYSA-N 0 0 330.347 3.215 50 0 EGAARN O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032093438 212787669 /nfs/dbraw/zinc/78/76/69/212787669.db2.gz AHSDGFBWRGZXIT-LLVKDONJSA-N 0 0 330.771 3.037 50 0 EGAARN CCc1nccn1CCNc1cc(-c2ccccc2)nc2ccnn21 ZINC000072133899 216023790 /nfs/dbraw/zinc/02/37/90/216023790.db2.gz LCCFRBRRTSQRNE-UHFFFAOYSA-N 0 0 332.411 3.267 50 0 EGAARN Cc1ccc(S[C@H](C)C(=O)NCc2cnn3ccccc23)cc1 ZINC000072152610 216041159 /nfs/dbraw/zinc/04/11/59/216041159.db2.gz NOPDAAASFXHIKB-CQSZACIVSA-N 0 0 325.437 3.440 50 0 EGAARN Cn1ncc2c1nc(CCc1ccccc1)nc2NCc1ccoc1 ZINC000072149155 216036826 /nfs/dbraw/zinc/03/68/26/216036826.db2.gz YVHLAAJCLGKIEV-UHFFFAOYSA-N 0 0 333.395 3.354 50 0 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O=C(Cc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019841961 212075202 /nfs/dbraw/zinc/07/52/02/212075202.db2.gz LSSUOPTUGGRKGK-UHFFFAOYSA-N 0 0 328.843 3.227 50 0 EGAARN Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CN1CCN(C)CC1 ZINC000019793462 212068971 /nfs/dbraw/zinc/06/89/71/212068971.db2.gz DENMOAXETKLYEZ-UHFFFAOYSA-N 0 0 339.361 3.015 50 0 EGAARN CC(C)c1nc(CNC(=O)c2ccc(NC3CCCCC3)nc2)no1 ZINC000019794897 212069112 /nfs/dbraw/zinc/06/91/12/212069112.db2.gz LEDDEZRFRWMEMX-UHFFFAOYSA-N 0 0 343.431 3.263 50 0 EGAARN CC(=O)c1cc(C(=O)N2CCCN(Cc3cccs3)CC2)cs1 ZINC000077489949 216918678 /nfs/dbraw/zinc/91/86/78/216918678.db2.gz DHWSSASVYBGPAS-UHFFFAOYSA-N 0 0 348.493 3.360 50 0 EGAARN O=C(Cc1cccc(F)c1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077534805 216930489 /nfs/dbraw/zinc/93/04/89/216930489.db2.gz GXBWUWQKVTTXQM-HXUWFJFHSA-N 0 0 341.426 3.210 50 0 EGAARN CCOc1ccc(CN2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000019788863 212066919 /nfs/dbraw/zinc/06/69/19/212066919.db2.gz FHXFCWYXPVZQHU-UHFFFAOYSA-N 0 0 340.467 3.412 50 0 EGAARN O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000019787493 212066264 /nfs/dbraw/zinc/06/62/64/212066264.db2.gz WNLDZKBSWBTHLC-UHFFFAOYSA-N 0 0 332.806 3.437 50 0 EGAARN Cc1oc(-c2cc(F)ccc2F)nc1CN(C)CCn1ccnc1 ZINC000019772733 212064085 /nfs/dbraw/zinc/06/40/85/212064085.db2.gz OSVGXFIDHXYHKW-UHFFFAOYSA-N 0 0 332.354 3.257 50 0 EGAARN O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)c1noc2c1CCCC2 ZINC000245174531 284223708 /nfs/dbraw/zinc/22/37/08/284223708.db2.gz YRDUZOOVXCIFPG-HDJSIYSDSA-N 0 0 341.411 3.068 50 0 EGAARN CCn1c(C)c(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21 ZINC000019322794 212015833 /nfs/dbraw/zinc/01/58/33/212015833.db2.gz KDJJXXIPQWYZTB-UHFFFAOYSA-N 0 0 337.467 3.195 50 0 biogenic EGAARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccccc1F ZINC000018219532 211991569 /nfs/dbraw/zinc/99/15/69/211991569.db2.gz FWVNHSKZCRGKAZ-JTQLQIEISA-N 0 0 330.359 3.384 50 0 EGAARN CC(C)c1nc([C@@H]2CCCN2CC(=O)N(C)Cc2ccsc2)no1 ZINC000078724140 217108807 /nfs/dbraw/zinc/10/88/07/217108807.db2.gz 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/nfs/dbraw/zinc/29/86/55/217298655.db2.gz QBCPATRNCBVHGN-OLZOCXBDSA-N 0 0 330.211 3.166 50 0 EGAARN Cc1nc2ccc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2s1 ZINC000080332739 217298666 /nfs/dbraw/zinc/29/86/66/217298666.db2.gz UXXSWCQRAMROJT-KBXCAEBGSA-N 0 0 330.453 3.372 50 0 EGAARN COc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000080345154 217299376 /nfs/dbraw/zinc/29/93/76/217299376.db2.gz ZGQBJFNOEINCSZ-KGLIPLIRSA-N 0 0 325.364 3.209 50 0 EGAARN COc1ccc(CC[C@@H](C)NC(=O)c2cc(C(C)C)nn2C)cc1 ZINC000081932363 217454690 /nfs/dbraw/zinc/45/46/90/217454690.db2.gz QHUHXRDVTIMVBL-CQSZACIVSA-N 0 0 329.444 3.303 50 0 EGAARN O=C(c1ccc2scnc2c1)N1CCC(CCn2cccn2)CC1 ZINC000082106628 217466329 /nfs/dbraw/zinc/46/63/29/217466329.db2.gz VETBKFIASCSPLM-UHFFFAOYSA-N 0 0 340.452 3.435 50 0 EGAARN CCCn1cc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)c(C)n1 ZINC000082134142 217474248 /nfs/dbraw/zinc/47/42/48/217474248.db2.gz IXZHRHLUCYHFCO-QGZVFWFLSA-N 0 0 340.471 3.200 50 0 EGAARN CN(C)C1(c2nnnn2-c2cccc(C(F)(F)F)c2)CCCC1 ZINC000013943239 211659410 /nfs/dbraw/zinc/65/94/10/211659410.db2.gz HYEOOJHDPOYONL-UHFFFAOYSA-N 0 0 325.338 3.012 50 0 EGAARN O=C(Cc1ccc(NC(=O)c2cccc(F)c2)cc1)N1CCCC1 ZINC000013714197 211618009 /nfs/dbraw/zinc/61/80/09/211618009.db2.gz CMFFNZLBFSFBNS-UHFFFAOYSA-N 0 0 326.371 3.243 50 0 EGAARN COc1cc(NC(=S)NCc2cccnc2)c(OC)cc1Cl ZINC000013497518 211569046 /nfs/dbraw/zinc/56/90/46/211569046.db2.gz OKWNFVLTWXHIFM-UHFFFAOYSA-N 0 0 337.832 3.239 50 0 EGAARN COc1ccc(C2=C[C@H](c3cccc(OC)c3)n3nnnc3N2)cc1 ZINC000013127735 211525260 /nfs/dbraw/zinc/52/52/60/211525260.db2.gz YZGGLNZJTHYOMJ-QGZVFWFLSA-N 0 0 335.367 3.343 50 0 EGAARN O=C(CCc1cccs1)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000012441124 211383675 /nfs/dbraw/zinc/38/36/75/211383675.db2.gz QSJYHXRKWRROCH-CQSZACIVSA-N 0 0 334.485 3.121 50 0 EGAARN CC(C)Cc1csc2c1c(=O)n(C)c(=O)n2Cc1ccccc1F ZINC000012391155 211366941 /nfs/dbraw/zinc/36/69/41/211366941.db2.gz FNBLWQKXNWIJDQ-UHFFFAOYSA-N 0 0 346.427 3.148 50 0 EGAARN O=C(NCc1ccc(F)cc1)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012321730 211345874 /nfs/dbraw/zinc/34/58/74/211345874.db2.gz WLUVPGNRTCKZIL-UHFFFAOYSA-N 0 0 336.326 3.287 50 0 EGAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(C)nc3)C2)cc1 ZINC000012315755 211343269 /nfs/dbraw/zinc/34/32/69/211343269.db2.gz YETFUSXRCGVVGS-KRWDZBQOSA-N 0 0 325.412 3.115 50 0 EGAARN COc1ccc(C(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 ZINC000012296615 211334344 /nfs/dbraw/zinc/33/43/44/211334344.db2.gz UYNJNEGQCDCQTJ-UHFFFAOYSA-N 0 0 336.391 3.384 50 0 biogenic EGAARN CC(C)CSc1nnc(CNC(=O)/C=C/c2cccc(F)c2)n1C ZINC000012281225 211332765 /nfs/dbraw/zinc/33/27/65/211332765.db2.gz WYAJXZDBRZJZFD-BQYQJAHWSA-N 0 0 348.447 3.032 50 0 EGAARN Cc1ccccc1-n1ncc2c1c(=O)n(Cc1ccccc1F)nc2C ZINC000012228610 211325414 /nfs/dbraw/zinc/32/54/14/211325414.db2.gz JFXARPKYXLKONW-UHFFFAOYSA-N 0 0 348.381 3.386 50 0 EGAARN Cc1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc(F)cc2)on1 ZINC000012159343 211308992 /nfs/dbraw/zinc/30/89/92/211308992.db2.gz QJHZGAYMRRBHMX-OAHLLOKOSA-N 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OZIJMKYOWQWIFS-GFCCVEGCSA-N 0 0 340.452 3.366 50 0 EGAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccccn3)C2)cc1F ZINC000011932838 211269470 /nfs/dbraw/zinc/26/94/70/211269470.db2.gz FHCPFBNLFXIDKA-OAHLLOKOSA-N 0 0 328.387 3.324 50 0 EGAARN CC(C)=CCN1CC2(CC1=O)CCN(c1cc(C3CC3)ncn1)CC2 ZINC000091452733 218009197 /nfs/dbraw/zinc/00/91/97/218009197.db2.gz NXOVREGOQLIWQP-UHFFFAOYSA-N 0 0 340.471 3.139 50 0 EGAARN Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000011903499 211265795 /nfs/dbraw/zinc/26/57/95/211265795.db2.gz COKMJUWHJONJAS-LBPRGKRZSA-N 0 0 343.452 3.076 50 0 EGAARN CCn1ccnc1[C@H]1CCCN(C(=O)CCCOc2ccccc2)C1 ZINC000091503555 218013947 /nfs/dbraw/zinc/01/39/47/218013947.db2.gz SVXISFMPWNKMIL-KRWDZBQOSA-N 0 0 341.455 3.468 50 0 EGAARN CSCCC(=O)N1CCO[C@@H](Cc2cccc3ccccc32)C1 ZINC000011817731 211250674 /nfs/dbraw/zinc/25/06/74/211250674.db2.gz IGOJFVWZMHEZPO-KRWDZBQOSA-N 0 0 329.465 3.363 50 0 EGAARN COc1ccc2c(cc(C(=O)N[C@H]3COC4(CCCC4)C3)n2C)c1 ZINC000091519145 218016183 /nfs/dbraw/zinc/01/61/83/218016183.db2.gz KERKSFCSZFIKTN-CQSZACIVSA-N 0 0 328.412 3.018 50 0 EGAARN O=C(NCCSc1ccccn1)c1ccc2cccc(F)c2n1 ZINC000091595763 218029509 /nfs/dbraw/zinc/02/95/09/218029509.db2.gz LVKDCPBNLFBEAZ-UHFFFAOYSA-N 0 0 327.384 3.291 50 0 EGAARN CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(CC)c2)cc1 ZINC000011709351 211240648 /nfs/dbraw/zinc/24/06/48/211240648.db2.gz MRDNWQZAASXODO-UHFFFAOYSA-N 0 0 341.407 3.372 50 0 EGAARN CCc1ccccc1OC1CN(C(=O)c2ccc(OC)c(F)c2F)C1 ZINC000091708196 218052278 /nfs/dbraw/zinc/05/22/78/218052278.db2.gz DPKZKPUNJLFMKX-UHFFFAOYSA-N 0 0 347.361 3.439 50 0 EGAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(Cc2cccs2)o1 ZINC000011694642 211237460 /nfs/dbraw/zinc/23/74/60/211237460.db2.gz MJJCXNUQZZNFRH-UHFFFAOYSA-N 0 0 349.799 3.393 50 0 EGAARN CC(C)c1nc(CCNC(=O)[C@@H](c2ccccc2F)N(C)C)cs1 ZINC000091636231 218036535 /nfs/dbraw/zinc/03/65/35/218036535.db2.gz JYXBGDOULISFLM-MRXNPFEDSA-N 0 0 349.475 3.367 50 0 EGAARN Cc1ncnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1C ZINC000091643441 218036953 /nfs/dbraw/zinc/03/69/53/218036953.db2.gz SGKFLATUUHKTJS-SFHVURJKSA-N 0 0 348.454 3.117 50 0 EGAARN CCn1ccnc1CN(C)C(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000091664651 218043079 /nfs/dbraw/zinc/04/30/79/218043079.db2.gz LBJPIQBZQKPCLH-OAHLLOKOSA-N 0 0 337.423 3.482 50 0 EGAARN COCCC[C@@]1(C(=O)[O-])CCC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000091725790 218054985 /nfs/dbraw/zinc/05/49/85/218054985.db2.gz IPXKYFCLELKGCC-MRSBXDGLSA-N 0 0 347.455 3.302 50 0 EGAARN CC[C@@H](NC(=O)c1cnn(-c2ccccc2OC)c1)c1ccncc1 ZINC000091736849 218056061 /nfs/dbraw/zinc/05/60/61/218056061.db2.gz TZASGHMFRCXLKC-MRXNPFEDSA-N 0 0 336.395 3.157 50 0 EGAARN Cc1nc2ccc(C(=O)NC[C@@H]3OCCc4ccccc43)cc2nc1C ZINC000091736679 218056202 /nfs/dbraw/zinc/05/62/02/218056202.db2.gz MJJDVJXIUSDZNT-FQEVSTJZSA-N 0 0 347.418 3.290 50 0 EGAARN CC(C)Cc1cc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)on1 ZINC000091737733 218056277 /nfs/dbraw/zinc/05/62/77/218056277.db2.gz WBDBGHSPIOAOJO-LBPRGKRZSA-N 0 0 331.420 3.071 50 0 EGAARN 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/nfs/dbraw/zinc/08/50/58/258085058.db2.gz BPMABMCKAUECDY-UHFFFAOYSA-N 0 0 331.847 3.381 50 0 EGAARN COCc1ccc(C(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000299776178 258086469 /nfs/dbraw/zinc/08/64/69/258086469.db2.gz KSYFTLSMUJWNPE-CYBMUJFWSA-N 0 0 348.830 3.336 50 0 EGAARN CN1C[C@]2(CCN(C(=O)c3cccc(-c4cccs4)c3)C2)OC1=O ZINC000299778876 258088118 /nfs/dbraw/zinc/08/81/18/258088118.db2.gz IGOADXSCTWEDIO-SFHVURJKSA-N 0 0 342.420 3.082 50 0 EGAARN CNc1ncc(CN(C)C(=O)Nc2c(C)ccc(Cl)c2C)cn1 ZINC000299794825 258099802 /nfs/dbraw/zinc/09/98/02/258099802.db2.gz NGFCJOIGMLLTBS-UHFFFAOYSA-N 0 0 333.823 3.452 50 0 EGAARN O=C(COC[C@H]1CCCO1)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000299798086 258101858 /nfs/dbraw/zinc/10/18/58/258101858.db2.gz PCRORXASSQWRPP-MRXNPFEDSA-N 0 0 349.814 3.412 50 0 EGAARN CC[N@H+](CC1CCOCC1)[C@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055061197 258061005 /nfs/dbraw/zinc/06/10/05/258061005.db2.gz RGAOWCZFOLIEOR-KRWDZBQOSA-N 0 0 335.444 3.186 50 0 EGAARN CCN(C/C=C/c1ccccc1)C(=O)CCC(=O)NC1CCCC1 ZINC000055060721 258061017 /nfs/dbraw/zinc/06/10/17/258061017.db2.gz XANXNILSTZGDEI-DHZHZOJOSA-N 0 0 328.456 3.387 50 0 EGAARN O=C1C[C@H](n2cnc3ccccc32)C(=O)N1c1ccccc1Cl ZINC000101515923 258069106 /nfs/dbraw/zinc/06/91/06/258069106.db2.gz SDYHXCQNMKZODR-HNNXBMFYSA-N 0 0 325.755 3.194 50 0 EGAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1cnc(SC)nc1 ZINC000299760625 258077829 /nfs/dbraw/zinc/07/78/29/258077829.db2.gz VWZFSDNTVIOZEI-AWEZNQCLSA-N 0 0 329.425 3.184 50 0 EGAARN O=C(CCCn1cccn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000299762438 258079374 /nfs/dbraw/zinc/07/93/74/258079374.db2.gz WLEPRWVTLNZNTB-WMZOPIPTSA-N 0 0 329.419 3.330 50 0 EGAARN CC[C@@H](C)n1nc(C)cc1NC(=O)N(CCOC)Cc1cccnc1 ZINC000299764947 258080209 /nfs/dbraw/zinc/08/02/09/258080209.db2.gz XNDXLYOHMJWZBU-OAHLLOKOSA-N 0 0 345.447 3.238 50 0 EGAARN CN(C(=O)Nc1cnn(Cc2ccccc2F)c1)C1CCSCC1 ZINC000299768387 258082676 /nfs/dbraw/zinc/08/26/76/258082676.db2.gz URUIRLWJXMPNGW-UHFFFAOYSA-N 0 0 348.447 3.430 50 0 EGAARN Fc1ccc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000054105856 132189709 /nfs/dbraw/zinc/18/97/09/132189709.db2.gz LHAPNBLEUPOTFV-UHFFFAOYSA-N 0 0 338.386 3.198 50 0 EGAARN CC[C@H](C(=O)NC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057291796 132199241 /nfs/dbraw/zinc/19/92/41/132199241.db2.gz CILUUOFIYASNEE-LJQANCHMSA-N 0 0 347.478 3.175 50 0 EGAARN COc1ccccc1N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000035898236 132390803 /nfs/dbraw/zinc/39/08/03/132390803.db2.gz KZMJJRAVOMCHFE-UHFFFAOYSA-N 0 0 349.434 3.181 50 0 EGAARN O=C(c1cnc2ccc(F)cc2c1N1CCSCC1)N1CCCC1 ZINC000067287961 132811564 /nfs/dbraw/zinc/81/15/64/132811564.db2.gz MXKLOTKEWUNLAJ-UHFFFAOYSA-N 0 0 345.443 3.163 50 0 EGAARN CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000101403 135644600 /nfs/dbraw/zinc/64/46/00/135644600.db2.gz PVTYYZMSGSUUIV-UHFFFAOYSA-N 0 0 328.387 3.187 50 0 EGAARN COc1ccccc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000000112254 135644979 /nfs/dbraw/zinc/64/49/79/135644979.db2.gz PLABTVXVCCMWPY-UHFFFAOYSA-N 0 0 348.805 3.450 50 0 EGAARN CCCC[C@@H](CC)C(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000002778592 135658356 /nfs/dbraw/zinc/65/83/56/135658356.db2.gz MFQSVEIGELLNCR-CYBMUJFWSA-N 0 0 346.431 3.214 50 0 EGAARN O=C(CSc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000004500240 135664441 /nfs/dbraw/zinc/66/44/41/135664441.db2.gz UJLNGAGPQUETNN-UHFFFAOYSA-N 0 0 346.427 3.393 50 0 EGAARN O=C1CS[C@@H](c2cc(Cl)cc3c2OCOC3)c2c[nH]nc2N1 ZINC000079477567 296539815 /nfs/dbraw/zinc/53/98/15/296539815.db2.gz VPOZHGJUYFPZOJ-ZDUSSCGKSA-N 0 0 337.788 3.354 50 0 EGAARN COc1cc2c(cc1OC)[C@@H](C(Cl)(Cl)Cl)OC(=O)C2 ZINC000000201577 286259430 /nfs/dbraw/zinc/25/94/30/286259430.db2.gz CNWFLZBUBYSPCA-NSHDSACASA-N 0 0 325.575 3.214 50 0 biogenic EGAARN CCN1C[C@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1=O ZINC000075723486 161709717 /nfs/dbraw/zinc/70/97/17/161709717.db2.gz OFAGXJNUPXFXIU-CQSZACIVSA-N 0 0 348.406 3.037 50 0 EGAARN c1nc(CNc2nccc(Oc3ccccc3)n2)n(-c2ccccc2)n1 ZINC000359833249 167243946 /nfs/dbraw/zinc/24/39/46/167243946.db2.gz GASAABMKYUJZOL-UHFFFAOYSA-N 0 0 344.378 3.462 50 0 EGAARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccs2)NC(=S)N1 ZINC000013497618 273595555 /nfs/dbraw/zinc/59/55/55/273595555.db2.gz BCPVDQXQMHBCBB-CQSZACIVSA-N 0 0 347.440 3.319 50 0 EGAARN COc1ccc(-n2cccn2)c(CN2CCc3nc[nH]c3[C@@H]2C2CC2)c1 ZINC000071763501 274105353 /nfs/dbraw/zinc/10/53/53/274105353.db2.gz NLJMYOPVUMQPRL-FQEVSTJZSA-N 0 0 349.438 3.113 50 0 EGAARN O=C(Nc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000013845709 274999794 /nfs/dbraw/zinc/99/97/94/274999794.db2.gz ABUROWVFJUVHAR-QZTJIDSGSA-N 0 0 346.386 3.395 50 0 EGAARN c1ccc(-c2nnn3c2nc(N2CCSCC2)c2ccccc23)cc1 ZINC000067263308 275066610 /nfs/dbraw/zinc/06/66/10/275066610.db2.gz KMFLEMKIVXXIHO-UHFFFAOYSA-N 0 0 347.447 3.498 50 0 EGAARN CC(C)[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000000045208 275696008 /nfs/dbraw/zinc/69/60/08/275696008.db2.gz SANQVRSAXFZGJC-MRXNPFEDSA-N 0 0 340.354 3.085 50 0 EGAARN CC(C)c1nc2oc3c(ncnc3NC[C@H](C)O)c2c2c1CCC2 ZINC000002327316 275763045 /nfs/dbraw/zinc/76/30/45/275763045.db2.gz TZTPTUACDWKZAA-JTQLQIEISA-N 0 0 326.400 3.176 50 0 EGAARN CC(C)(NC(=O)c1cccs1)C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000067975560 275863352 /nfs/dbraw/zinc/86/33/52/275863352.db2.gz KWONYSQUBSWPLA-AWEZNQCLSA-N 0 0 346.427 3.369 50 0 EGAARN CCS(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 ZINC000008961277 276392777 /nfs/dbraw/zinc/39/27/77/276392777.db2.gz UDDCRDHGDCYYHQ-UHFFFAOYSA-N 0 0 332.381 3.115 50 0 EGAARN CCOC(=O)Cn1cnc2scc(-c3ccc(CC)cc3)c2c1=O ZINC000000131701 276432405 /nfs/dbraw/zinc/43/24/05/276432405.db2.gz STINUFJGCCGTFU-UHFFFAOYSA-N 0 0 342.420 3.251 50 0 EGAARN CN(C)C(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000006728807 276749739 /nfs/dbraw/zinc/74/97/39/276749739.db2.gz KLCJRYSYRFQYMR-UHFFFAOYSA-N 0 0 332.787 3.059 50 0 EGAARN CN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000071788926 277022627 /nfs/dbraw/zinc/02/26/27/277022627.db2.gz LBJAWBPKAXABHO-INIZCTEOSA-N 0 0 331.213 3.422 50 0 EGAARN CO[C@@H](CNS(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000253472421 277281043 /nfs/dbraw/zinc/28/10/43/277281043.db2.gz MDNYNXNKMLJBOL-AWEZNQCLSA-N 0 0 337.422 3.160 50 0 EGAARN COc1cc(Br)c(C)cc1I ZINC000040571462 277366952 /nfs/dbraw/zinc/36/69/52/277366952.db2.gz XLBWCBCDDYCHRS-UHFFFAOYSA-N 0 0 326.959 3.371 50 0 EGAARN COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 ZINC000000527007 277430379 /nfs/dbraw/zinc/43/03/79/277430379.db2.gz UYFXRPJHDCJVRD-IAGOWNOFSA-N 0 0 335.411 3.324 50 0 EGAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)c1 ZINC000005575068 278022660 /nfs/dbraw/zinc/02/26/60/278022660.db2.gz WHMJMVFLEPKUFD-KRWDZBQOSA-N 0 0 335.359 3.285 50 0 EGAARN CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c(F)cccc1NC2=O ZINC000098214157 278383375 /nfs/dbraw/zinc/38/33/75/278383375.db2.gz RCEHWOSHDDIDAR-UHFFFAOYSA-N 0 0 334.391 3.338 50 0 EGAARN Cc1ccc(-n2ncc3c2nc(C)n(-c2ccc(C)cc2)c3=O)cc1 ZINC000004971979 278777354 /nfs/dbraw/zinc/77/73/54/278777354.db2.gz CKQJNDDTZNTIRB-UHFFFAOYSA-N 0 0 330.391 3.497 50 0 EGAARN Cc1[nH]cc(Br)c2ncc(I)c1-2 ZINC000215760968 279147915 /nfs/dbraw/zinc/14/79/15/279147915.db2.gz UVPUCEAPPQDZRF-UHFFFAOYSA-N 0 0 336.958 3.238 50 0 EGAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cnn2c1OCCC2 ZINC000090627085 280060829 /nfs/dbraw/zinc/06/08/29/280060829.db2.gz KPSFHAHRZLTCLF-UHFFFAOYSA-N 0 0 334.788 3.181 50 0 EGAARN CC[C@H]1CCCCN1C(=O)Cn1c(=O)cc(C)nc1-c1ccccc1 ZINC000057526355 288191081 /nfs/dbraw/zinc/19/10/81/288191081.db2.gz UGVPPWJIUYMSOD-KRWDZBQOSA-N 0 0 339.439 3.010 50 0 EGAARN CC1(C)CC(=O)C2C(=Nc3c(C(N)=O)cnn3[C@@H]2c2ccccc2)C1 ZINC000102453395 280913336 /nfs/dbraw/zinc/91/33/36/280913336.db2.gz HFPWPBAVAHAUEO-MRXNPFEDSA-N 0 0 336.395 3.290 50 0 EGAARN CC[C@]1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O ZINC000004168491 288473888 /nfs/dbraw/zinc/47/38/88/288473888.db2.gz WVNDFXKAUYRFCB-QMTUAOIMSA-N 0 0 337.460 3.301 50 0 EGAARN COc1ccc(-c2n[nH]cc2[C@@H]2SCC(=O)Nc3n[nH]cc32)cc1 ZINC000079477013 295048665 /nfs/dbraw/zinc/04/86/65/295048665.db2.gz KZFGIPPUNCFGBX-HNNXBMFYSA-N 0 0 341.396 3.233 50 0 EGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccc(C)cc2)nn1 ZINC000032090865 295051892 /nfs/dbraw/zinc/05/18/92/295051892.db2.gz CZBKRJMEPGXXAO-AWEZNQCLSA-N 0 0 349.394 3.411 50 0 EGAARN Fc1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1Cl ZINC000013784704 453488690 /nfs/dbraw/zinc/48/86/90/453488690.db2.gz KOCZJWAZFGWUFD-UHFFFAOYSA-N 0 0 330.812 3.015 50 0 EGAARN CCCCCc1nnc(NC(=O)Cc2ccc3c(c2)OCO3)s1 ZINC000129103838 307610059 /nfs/dbraw/zinc/61/00/59/307610059.db2.gz RQLGJVYGGYSELF-UHFFFAOYSA-N 0 0 333.413 3.181 50 0 EGAARN COc1ccccc1OCC(=O)N1CCc2sc(Cl)cc2C1 ZINC000569458390 316917795 /nfs/dbraw/zinc/91/77/95/316917795.db2.gz JPNYHXBWOWZXDC-UHFFFAOYSA-N 0 0 337.828 3.374 50 0 EGAARN CC(C)c1nc(C(=O)NCCc2cnn(-c3ccccc3)c2)cs1 ZINC000171427377 323234799 /nfs/dbraw/zinc/23/47/99/323234799.db2.gz IKLDHMOUBCYJGK-UHFFFAOYSA-N 0 0 340.452 3.425 50 0 EGAARN Cc1ccc(O[C@@H]2CCN(C(=O)Nc3c(F)cccc3F)C2)nc1 ZINC000238955085 455260489 /nfs/dbraw/zinc/26/04/89/455260489.db2.gz XUEUNTLWKNURQB-GFCCVEGCSA-N 0 0 333.338 3.353 50 0 EGAARN Cn1ccc2c1cccc2C(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000243919556 455274203 /nfs/dbraw/zinc/27/42/03/455274203.db2.gz BOVVAMLCECSSAC-ZWOKBUDYSA-N 0 0 348.446 3.290 50 0 EGAARN COCc1ccc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2C[C@@H](O)C2)cc1 ZINC000244866573 455276350 /nfs/dbraw/zinc/27/63/50/455276350.db2.gz VYMZRXHSMKPCPL-NZSAHSFTSA-N 0 0 343.398 3.214 50 0 EGAARN O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc[nH]c1=O ZINC000244811484 455277393 /nfs/dbraw/zinc/27/73/93/455277393.db2.gz SDOVTCZBAZQZES-GOSISDBHSA-N 0 0 339.439 3.134 50 0 EGAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccccc2)cc1 ZINC000000069745 452499044 /nfs/dbraw/zinc/49/90/44/452499044.db2.gz LTCCRUWKQDXZHD-GOSISDBHSA-N 0 0 336.391 3.366 50 0 EGAARN COC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000000090085 452504586 /nfs/dbraw/zinc/50/45/86/452504586.db2.gz FDQQTOPHHPQJQE-UHFFFAOYSA-N 0 0 332.363 3.002 50 0 EGAARN COC(=O)COc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000000101415 452506461 /nfs/dbraw/zinc/50/64/61/452506461.db2.gz IFLOKHWNZGZBOQ-UHFFFAOYSA-N 0 0 340.331 3.020 50 0 biogenic EGAARN O=S1(=O)N=C(Nc2ccccc2C(F)(F)F)c2ccccc21 ZINC000000114566 452509808 /nfs/dbraw/zinc/50/98/08/452509808.db2.gz OGHAQXJGIOLYBG-UHFFFAOYSA-N 0 0 326.299 3.266 50 0 EGAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1C(N)=O ZINC000000116296 452512986 /nfs/dbraw/zinc/51/29/86/452512986.db2.gz QOLYOYNJGXPXCX-LLVKDONJSA-N 0 0 332.787 3.153 50 0 EGAARN COc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1 ZINC000000146813 452520943 /nfs/dbraw/zinc/52/09/43/452520943.db2.gz RNZKZCAYKLSQQN-UHFFFAOYSA-N 0 0 348.196 3.070 50 0 EGAARN Cc1snnc1C(=O)Nc1c(C(C)(C)C)nn(C)c1C(C)(C)C ZINC000000147243 452521530 /nfs/dbraw/zinc/52/15/30/452521530.db2.gz UVIBMWJZFFOTEK-UHFFFAOYSA-N 0 0 335.477 3.427 50 0 EGAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000000154111 452523078 /nfs/dbraw/zinc/52/30/78/452523078.db2.gz CZFTXWBABZSHJI-UHFFFAOYSA-N 0 0 348.406 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/nfs/dbraw/zinc/59/05/89/452590589.db2.gz CXYQIECNQQOUOV-UHFFFAOYSA-N 0 0 338.654 3.277 50 0 EGAARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(F)(F)F ZINC000000433322 452591477 /nfs/dbraw/zinc/59/14/77/452591477.db2.gz GDURICFTDLGJJK-UHFFFAOYSA-N 0 0 338.285 3.448 50 0 EGAARN COc1ccc(CCNC(=O)COc2ccc(C)cc2C)cc1OC ZINC000000445020 452593615 /nfs/dbraw/zinc/59/36/15/452593615.db2.gz UDOUOMVHHCIAKG-UHFFFAOYSA-N 0 0 343.423 3.058 50 0 biogenic EGAARN O=C(CN1C(=O)c2ccccc2C1=O)Sc1ccc(Cl)cc1 ZINC000000464078 452598364 /nfs/dbraw/zinc/59/83/64/452598364.db2.gz NBJOPUGMHSDYQB-UHFFFAOYSA-N 0 0 331.780 3.255 50 0 EGAARN COc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc1 ZINC000000468111 452600899 /nfs/dbraw/zinc/60/08/99/452600899.db2.gz MVHCKAGWKATJMF-UHFFFAOYSA-N 0 0 345.786 3.116 50 0 EGAARN CC(C)[C@@H]1C[C@@](CCN2C(=O)CCC2=O)(c2ccccc2)CCO1 ZINC000000488005 452606795 /nfs/dbraw/zinc/60/67/95/452606795.db2.gz JVBTXUMSCPADEF-PXNSSMCTSA-N 0 0 329.440 3.299 50 0 biogenic EGAARN CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 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O=C(Cc1sc(Nc2ccc(O)cc2)nc1O)c1ccccc1 ZINC000000556277 452622265 /nfs/dbraw/zinc/62/22/65/452622265.db2.gz VSDGGXTWOQLZBK-HNNXBMFYSA-N 0 0 326.377 3.075 50 0 EGAARN CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000000565279 452623410 /nfs/dbraw/zinc/62/34/10/452623410.db2.gz VOQREYAUISBFCX-INIZCTEOSA-N 0 0 335.812 3.229 50 0 EGAARN COc1c(C)cc(Br)cc1C(=O)NCc1cccnc1 ZINC000000571833 452626337 /nfs/dbraw/zinc/62/63/37/452626337.db2.gz IUQWRRBVTTUIDP-UHFFFAOYSA-N 0 0 335.201 3.091 50 0 EGAARN COc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000000611796 452631395 /nfs/dbraw/zinc/63/13/95/452631395.db2.gz BVLASVMASSPKFT-NSHDSACASA-N 0 0 344.367 3.315 50 0 EGAARN Cc1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1 ZINC000000620417 452632797 /nfs/dbraw/zinc/63/27/97/452632797.db2.gz FRKRGDLWAWSPID-UHFFFAOYSA-N 0 0 348.447 3.210 50 0 EGAARN COc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 ZINC000000620252 452632888 /nfs/dbraw/zinc/63/28/88/452632888.db2.gz DUGQKBHZXUPXPO-UHFFFAOYSA-N 0 0 340.408 3.007 50 0 EGAARN COc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1 ZINC000000616875 452633053 /nfs/dbraw/zinc/63/30/53/452633053.db2.gz DWWMYBXWKKGMIG-UHFFFAOYSA-N 0 0 345.380 3.459 50 0 EGAARN CC(C)C(=O)N[C@@H](Oc1ccc(C=O)cc1)C(Cl)(Cl)Cl ZINC000000731981 452633082 /nfs/dbraw/zinc/63/30/82/452633082.db2.gz YCINBPWVFJKMKA-LBPRGKRZSA-N 0 0 338.618 3.346 50 0 EGAARN O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000000806851 452634565 /nfs/dbraw/zinc/63/45/65/452634565.db2.gz PJEQJCCYNNMGNN-LBPRGKRZSA-N 0 0 337.404 3.288 50 0 EGAARN O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCOCC1 ZINC000000815134 452638078 /nfs/dbraw/zinc/63/80/78/452638078.db2.gz JQHSWMRGAUNNPC-UHFFFAOYSA-N 0 0 327.167 3.121 50 0 EGAARN CC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000000967762 452639115 /nfs/dbraw/zinc/63/91/15/452639115.db2.gz DWRKFAJEBUWTQM-FZMZJTMJSA-N 0 0 328.199 3.263 50 0 in-vitro EGAARN CCOC(=O)c1cc(NC(=O)c2ccccc2OCC)ccc1O ZINC000001006510 452641392 /nfs/dbraw/zinc/64/13/92/452641392.db2.gz ZSMDYMDVEQMICU-UHFFFAOYSA-N 0 0 329.352 3.220 50 0 EGAARN CCOc1ccccc1C(=O)N=c1[nH]c2ccc(OC)cc2s1 ZINC000001268598 452651660 /nfs/dbraw/zinc/65/16/60/452651660.db2.gz NIVCSZHNPJJDDL-UHFFFAOYSA-N 0 0 328.393 3.378 50 0 EGAARN Cc1nnc(-c2cnn(-c3ccccc3)c2N)n1Cc1ccc(F)cc1 ZINC000001384121 452656899 /nfs/dbraw/zinc/65/68/99/452656899.db2.gz CZEBMZYZXCRDST-UHFFFAOYSA-N 0 0 348.385 3.209 50 0 EGAARN COc1ccc([C@H](C(N)=O)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001388049 452658499 /nfs/dbraw/zinc/65/84/99/452658499.db2.gz RYVGXUZDRSHIPB-LBPRGKRZSA-N 0 0 344.720 3.380 50 0 EGAARN Cc1ccc([C@@](C)(O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000001388761 452659019 /nfs/dbraw/zinc/65/90/19/452659019.db2.gz BJEZXYAETRUTHM-KRWDZBQOSA-N 0 0 338.856 3.471 50 0 EGAARN COC(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000001400048 452660408 /nfs/dbraw/zinc/66/04/08/452660408.db2.gz QPISFRQIIAWUHV-UHFFFAOYSA-N 0 0 345.704 3.355 50 0 EGAARN Cn1c(SCc2ccc(Cl)cc2)nnc1C(C)(C)n1cncn1 ZINC000001396539 452660474 /nfs/dbraw/zinc/66/04/74/452660474.db2.gz BCRJQIBGHMVEMV-UHFFFAOYSA-N 0 0 348.863 3.136 50 0 EGAARN COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3cccs3)c2)c1 ZINC000001399094 452660523 /nfs/dbraw/zinc/66/05/23/452660523.db2.gz ZYPBNCCQVHASKF-UHFFFAOYSA-N 0 0 340.404 3.246 50 0 EGAARN CCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1C(C)(C)C ZINC000001404042 452662327 /nfs/dbraw/zinc/66/23/27/452662327.db2.gz YQLUUFJCZKWMPB-LBPRGKRZSA-N 0 0 336.457 3.029 50 0 EGAARN Cn1c2ccccc2c2c(c1=O)[C@H](c1c[nH]c3ccccc31)CC(=O)O2 ZINC000001429595 452664037 /nfs/dbraw/zinc/66/40/37/452664037.db2.gz HQDZKGACIBLOFH-AWEZNQCLSA-N 0 0 344.370 3.461 50 0 EGAARN CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@@H](C)C3 ZINC000001428567 452664053 /nfs/dbraw/zinc/66/40/53/452664053.db2.gz AWOOPWKJORDBMR-MRVPVSSYSA-N 0 0 344.469 3.127 50 0 EGAARN C[N@H+](CCCOc1ccc(Cc2ccccc2)cc1)CCC(=O)[O-] ZINC000001544408 452668602 /nfs/dbraw/zinc/66/86/02/452668602.db2.gz HSXNVULMYZGNGF-UHFFFAOYSA-N 0 0 327.424 3.453 50 0 in-vitro EGAARN CC[C@@H](C(=O)OCC(C)C)n1cnc2sc3c(c2c1=O)CCCC3 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CCOc1cc(C(=O)NCc2ccco2)cc(OCC)c1OCC ZINC000002466318 452700564 /nfs/dbraw/zinc/70/05/64/452700564.db2.gz CYMPSYYXRCAOPA-UHFFFAOYSA-N 0 0 333.384 3.406 50 0 EGAARN NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1N ZINC000002558575 452705032 /nfs/dbraw/zinc/70/50/32/452705032.db2.gz TZESNZJMLMCESM-UHFFFAOYSA-N 0 0 327.287 3.256 50 0 EGAARN Cc1ccc(C(=O)COC(=O)c2ccc(Br)cn2)cc1 ZINC000002696554 452714175 /nfs/dbraw/zinc/71/41/75/452714175.db2.gz IVBARWJSIVKOPW-UHFFFAOYSA-N 0 0 334.169 3.192 50 0 EGAARN CCC[NH2+][C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000002703204 452715239 /nfs/dbraw/zinc/71/52/39/452715239.db2.gz PYRQWEOQLNVFJH-QGZVFWFLSA-N 0 0 342.395 3.260 50 0 EGAARN CCc1c(C)sc(NC(=O)COc2ccccc2)c1C(=O)OC ZINC000002741298 452718376 /nfs/dbraw/zinc/71/83/76/452718376.db2.gz VYHXKZZIBCNLAQ-UHFFFAOYSA-N 0 0 333.409 3.423 50 0 EGAARN NC(=O)c1c(NC(=O)c2cc(F)ccc2F)sc2c1CCCC2 ZINC000002747718 452718711 /nfs/dbraw/zinc/71/87/11/452718711.db2.gz DFZBLIJCODLBIW-UHFFFAOYSA-N 0 0 336.363 3.256 50 0 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Clc1cccc(-c2nnc(Cc3nc(-c4cccnc4)no3)o2)c1 ZINC000065185566 454536409 /nfs/dbraw/zinc/53/64/09/454536409.db2.gz DDVBJFLXASPWAV-UHFFFAOYSA-N 0 0 339.742 3.426 50 0 EGAARN COc1ccc(-c2ccccc2O[C@H](C)C(N)=O)c2ccc(C)nc12 ZINC000065370414 454554562 /nfs/dbraw/zinc/55/45/62/454554562.db2.gz AFIOLURGTRPXSJ-CYBMUJFWSA-N 0 0 336.391 3.471 50 0 EGAARN COc1cccc([C@H]2CCN2C(=O)CC(=O)Nc2ccc(C)cc2)c1 ZINC000065386075 454557688 /nfs/dbraw/zinc/55/76/88/454557688.db2.gz RACMNHXZVTUNHE-GOSISDBHSA-N 0 0 338.407 3.306 50 0 EGAARN CCCOc1ccccc1[C@@H]1CC(=O)NCc2nc3sccn3c21 ZINC000065406333 454561524 /nfs/dbraw/zinc/56/15/24/454561524.db2.gz GZZAJKSJMJWOJA-ZDUSSCGKSA-N 0 0 341.436 3.336 50 0 EGAARN COc1ccc(CNC(=O)[C@@H](c2cccc(C)c2)N(C)C)c(F)c1F ZINC000065419032 454563951 /nfs/dbraw/zinc/56/39/51/454563951.db2.gz PZNQPQZZIPQYAH-GOSISDBHSA-N 0 0 348.393 3.201 50 0 EGAARN Cn1cc(/C=C/C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065421281 454564337 /nfs/dbraw/zinc/56/43/37/454564337.db2.gz 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/nfs/dbraw/zinc/22/10/00/210221000.db2.gz ZIQYDDLSPZRDDA-UHFFFAOYSA-N 0 0 328.397 3.114 50 0 EGAARN Cc1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)c1 ZINC000004539550 210216834 /nfs/dbraw/zinc/21/68/34/210216834.db2.gz BHPCWCJBDXWIKQ-UHFFFAOYSA-N 0 0 339.424 3.010 50 0 EGAARN O=C(c1ccccc1)N1CCCN(c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000098211526 219087595 /nfs/dbraw/zinc/08/75/95/219087595.db2.gz RDYOTGZEUKJGGT-UHFFFAOYSA-N 0 0 346.434 3.429 50 0 EGAARN Cc1nnc(SCC(=O)Nc2cccc(C)c2C)n1-n1cccc1 ZINC000004518406 210212815 /nfs/dbraw/zinc/21/28/15/210212815.db2.gz YCUGBRXZGJKUFM-UHFFFAOYSA-N 0 0 341.440 3.047 50 0 EGAARN Cc1cccc(N2C(=O)C[C@H](n3cnc4cc(C)c(C)cc43)C2=O)c1 ZINC000100149266 219092334 /nfs/dbraw/zinc/09/23/34/219092334.db2.gz CNQUWPCEGQGNIM-SFHVURJKSA-N 0 0 333.391 3.466 50 0 EGAARN O=C(c1ccccc1F)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505510 210208121 /nfs/dbraw/zinc/20/81/21/210208121.db2.gz AZHXVTIAEFPGIZ-UHFFFAOYSA-N 0 0 339.366 3.466 50 0 EGAARN CCc1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 ZINC000004506578 210208062 /nfs/dbraw/zinc/20/80/62/210208062.db2.gz SLWPKDJJRGWBCQ-UHFFFAOYSA-N 0 0 326.396 3.111 50 0 EGAARN Cc1ccc(CC(=O)N2NC(CC(C)C)=C[C@@]2(O)C(F)(F)F)cc1 ZINC000004503246 210206657 /nfs/dbraw/zinc/20/66/57/210206657.db2.gz HWIKEBOOJYESAB-MRXNPFEDSA-N 0 0 342.361 3.423 50 0 EGAARN O=C(CSc1ccc(-c2cccs2)nn1)NCc1ccco1 ZINC000004496099 210203297 /nfs/dbraw/zinc/20/32/97/210203297.db2.gz AXGLGJPCQCIJCX-UHFFFAOYSA-N 0 0 331.422 3.207 50 0 EGAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cn2)n1 ZINC000049407387 214006329 /nfs/dbraw/zinc/00/63/29/214006329.db2.gz XQSYJMPPIUUOOZ-UHFFFAOYSA-N 0 0 340.814 3.468 50 0 EGAARN CC(=O)c1nc(N2C(=O)C[C@@H](Cc3ccc(C)cc3)C2=O)sc1C ZINC000100921019 219111976 /nfs/dbraw/zinc/11/19/76/219111976.db2.gz WNAMEALLLJFHIN-CQSZACIVSA-N 0 0 342.420 3.085 50 0 EGAARN CCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)[nH]1 ZINC000004385310 210185007 /nfs/dbraw/zinc/18/50/07/210185007.db2.gz VKCQOWHHYYZHED-UHFFFAOYSA-N 0 0 331.228 3.405 50 0 EGAARN O=C(Cc1cccs1)Nc1cccc(-c2ccc3nncn3n2)c1 ZINC000004377085 210183447 /nfs/dbraw/zinc/18/34/47/210183447.db2.gz OFJBFLUZKDJIHJ-UHFFFAOYSA-N 0 0 335.392 3.034 50 0 EGAARN COc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000004325809 210171892 /nfs/dbraw/zinc/17/18/92/210171892.db2.gz RXKONCCSUNTPRJ-UHFFFAOYSA-N 0 0 342.376 3.328 50 0 EGAARN CN(C)c1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1 ZINC000001402841 282322954 /nfs/dbraw/zinc/32/29/54/282322954.db2.gz JIVPISNUBARJDL-UHFFFAOYSA-N 0 0 339.420 3.042 50 0 EGAARN O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2ccccc2c1 ZINC000101537151 219133164 /nfs/dbraw/zinc/13/31/64/219133164.db2.gz QQUUGFASXZTPCJ-ROUUACIJSA-N 0 0 348.402 3.120 50 0 EGAARN COc1cc(/C=C/[C@H]2CC(=O)Nc3cc4n[nH]cc4cc32)ccc1O ZINC000065381553 214880775 /nfs/dbraw/zinc/88/07/75/214880775.db2.gz HDUNBUFITGOJDT-KMOQFTEPSA-N 0 0 335.363 3.416 50 0 EGAARN CCCC[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000048134936 213890041 /nfs/dbraw/zinc/89/00/41/213890041.db2.gz IWHOMBHVBWZKGA-QAPCUYQASA-N 0 0 332.492 3.466 50 0 EGAARN COc1cc(C)c([C@H]2CC(=O)NCc3nc4sccn4c32)cc1C ZINC000065408833 214899356 /nfs/dbraw/zinc/89/93/56/214899356.db2.gz HUNADYRMBBCELR-CYBMUJFWSA-N 0 0 341.436 3.173 50 0 EGAARN O=C(c1cc2c(s1)CCCCCC2)N1CCC2(CC1)OCCO2 ZINC000004195915 210144347 /nfs/dbraw/zinc/14/43/47/210144347.db2.gz SUIZUNVIMJKENG-UHFFFAOYSA-N 0 0 335.469 3.386 50 0 EGAARN O=C(Nc1nnc(-c2cccnc2)o1)c1cccc(Br)c1 ZINC000004107458 210122048 /nfs/dbraw/zinc/12/20/48/210122048.db2.gz XMXGKIKCZIVZEA-UHFFFAOYSA-N 0 0 345.156 3.146 50 0 EGAARN Cc1c(C(=O)OC[C@@H]2CCCO2)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000004101487 210121079 /nfs/dbraw/zinc/12/10/79/210121079.db2.gz ZHDLUAUXYMUFKZ-STQMWFEESA-N 0 0 343.379 3.165 50 0 EGAARN CCN1CCc2c(OCC(=O)Nc3cccc(C)c3)cccc2C1=O ZINC000004089097 210118096 /nfs/dbraw/zinc/11/80/96/210118096.db2.gz MSCUPJOHMFEKIP-UHFFFAOYSA-N 0 0 338.407 3.031 50 0 EGAARN C[C@H]1CCc2sc(NC(=O)c3cccc(F)c3)c(C(N)=O)c2C1 ZINC000004075651 210113753 /nfs/dbraw/zinc/11/37/53/210113753.db2.gz JORMZOMFYIQONQ-VIFPVBQESA-N 0 0 332.400 3.363 50 0 EGAARN O=C(NCC1N=NC(=S)N1c1ccccc1Cl)c1ccccc1 ZINC000004059266 210110861 /nfs/dbraw/zinc/11/08/61/210110861.db2.gz BLEMCMSRHVXXBO-UHFFFAOYSA-N 0 0 344.827 3.139 50 0 EGAARN O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1cccnc1 ZINC000004061170 210110677 /nfs/dbraw/zinc/11/06/77/210110677.db2.gz ODLZIPVOWNEXOT-UHFFFAOYSA-N 0 0 333.363 3.105 50 0 EGAARN CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC3(C)C)cc1 ZINC000101875917 219168921 /nfs/dbraw/zinc/16/89/21/219168921.db2.gz UBEOHGBWXXAHFI-UHFFFAOYSA-N 0 0 348.406 3.489 50 0 EGAARN COc1ccc(-c2[nH]nc(N)c2-c2cc3c(c(OC)c2)OCO3)cc1 ZINC000066091645 215008537 /nfs/dbraw/zinc/00/85/37/215008537.db2.gz GIOSRJQJUKBUHY-UHFFFAOYSA-N 0 0 339.351 3.072 50 0 EGAARN COc1ccc(C[C@@H]2CC(c3cc4c(c(OC)c3)OCO4)=NO2)cc1 ZINC000066091647 215008690 /nfs/dbraw/zinc/00/86/90/215008690.db2.gz XRKINXXAZGATRA-OAHLLOKOSA-N 0 0 341.363 3.168 50 0 EGAARN CCOc1ccc(CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OCC ZINC000102015916 219180538 /nfs/dbraw/zinc/18/05/38/219180538.db2.gz KNEWCMSOXBDORY-HZPDHXFCSA-N 0 0 345.439 3.202 50 0 EGAARN COc1cccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)c1 ZINC000003911144 210092460 /nfs/dbraw/zinc/09/24/60/210092460.db2.gz RYSCTPFHWXJTCO-UHFFFAOYSA-N 0 0 340.383 3.451 50 0 EGAARN CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1cccnc1 ZINC000003895664 210086829 /nfs/dbraw/zinc/08/68/29/210086829.db2.gz WAVYZDZDRJBBCK-XUJLQICISA-N 0 0 349.500 3.084 50 0 EGAARN COc1ccc(NC(=O)COC(=O)c2cccc(C)c2)cc1Cl ZINC000003621798 210067723 /nfs/dbraw/zinc/06/77/23/210067723.db2.gz OFLWNECGJCGPIJ-UHFFFAOYSA-N 0 0 333.771 3.453 50 0 EGAARN COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc(OC)c1OC ZINC000003614529 210066237 /nfs/dbraw/zinc/06/62/37/210066237.db2.gz WBYWGTLQOPEJEK-NSHDSACASA-N 0 0 333.359 3.343 50 0 EGAARN COc1ccc(CN2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC ZINC000102724187 219225084 /nfs/dbraw/zinc/22/50/84/219225084.db2.gz PVXLPLZHJBMHGV-UHFFFAOYSA-N 0 0 345.424 3.231 50 0 EGAARN COc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000067197758 215122573 /nfs/dbraw/zinc/12/25/73/215122573.db2.gz SURLNOWEJSOGBN-AWEZNQCLSA-N 0 0 327.380 3.038 50 0 EGAARN Cc1cccc(Cn2ncn3nc(-c4ccc(F)cc4)cc3c2=O)c1 ZINC000067259994 215129218 /nfs/dbraw/zinc/12/92/18/215129218.db2.gz LUOBAYRVRQFOOM-UHFFFAOYSA-N 0 0 334.354 3.054 50 0 EGAARN Cc1ccc(Nc2n[nH]nc2C(=O)N2CCc3ccccc3C2)cc1C ZINC000067284494 215129880 /nfs/dbraw/zinc/12/98/80/215129880.db2.gz ONHMQXQQROHHDY-UHFFFAOYSA-N 0 0 347.422 3.364 50 0 EGAARN COc1cccc(-c2nsc(C(=O)NCc3cccs3)c2N)c1 ZINC000067334836 215134696 /nfs/dbraw/zinc/13/46/96/215134696.db2.gz UCUDFOICAIKCAG-UHFFFAOYSA-N 0 0 345.449 3.392 50 0 EGAARN O=C(COC(=O)c1ccc(F)cc1Cl)N1CCc2ccccc2C1 ZINC000003244757 209986916 /nfs/dbraw/zinc/98/69/16/209986916.db2.gz IHSXDMJDFPJRMQ-UHFFFAOYSA-N 0 0 347.773 3.221 50 0 EGAARN CCN(Cc1noc(C2CCC2)n1)C(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000067675013 215180653 /nfs/dbraw/zinc/18/06/53/215180653.db2.gz JSUKNDZOANXAJC-UHFFFAOYSA-N 0 0 344.415 3.147 50 0 EGAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000067675497 215181328 /nfs/dbraw/zinc/18/13/28/215181328.db2.gz DJDFECMUQCBOJP-QGZVFWFLSA-N 0 0 343.471 3.371 50 0 EGAARN CCCC1(NC(=O)c2cc(COc3cccc(OC)c3)on2)CC1 ZINC000067676140 215182584 /nfs/dbraw/zinc/18/25/84/215182584.db2.gz IICLZRWDOAQMBJ-UHFFFAOYSA-N 0 0 330.384 3.325 50 0 EGAARN COc1ccc(F)c(-c2nc(Cn3cnc(C4CC4)n3)c(C)o2)c1 ZINC000067713196 215190298 /nfs/dbraw/zinc/19/02/98/215190298.db2.gz POCHLDUYOSZCJY-UHFFFAOYSA-N 0 0 328.347 3.315 50 0 EGAARN Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)Cc1cn(C)c2ccccc12 ZINC000067714327 215193187 /nfs/dbraw/zinc/19/31/87/215193187.db2.gz PUTRTUQVASLMLP-AWEZNQCLSA-N 0 0 338.455 3.291 50 0 EGAARN Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000067725999 215196151 /nfs/dbraw/zinc/19/61/51/215196151.db2.gz ZTFGJGWMHXJYBA-INIZCTEOSA-N 0 0 349.434 3.388 50 0 EGAARN COc1ccc2[nH]c(CNC(=O)[C@H](C)n3ccnc3C(C)C)cc2c1 ZINC000067818145 215219752 /nfs/dbraw/zinc/21/97/52/215219752.db2.gz RVTPFLJWOSNVRG-ZDUSSCGKSA-N 0 0 340.427 3.374 50 0 EGAARN C[C@@H](C(=O)N(C)C)N(C)Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067872338 215237134 /nfs/dbraw/zinc/23/71/34/215237134.db2.gz SHMAIKOYHFCKRY-HNNXBMFYSA-N 0 0 348.450 3.205 50 0 EGAARN CN1CCC[C@@]2(CCN(C(=O)Nc3cccc4ccccc43)C2)C1=O ZINC000067880637 215239259 /nfs/dbraw/zinc/23/92/59/215239259.db2.gz LQXITWSHUILKFW-FQEVSTJZSA-N 0 0 337.423 3.316 50 0 EGAARN CC(C)c1noc([C@@H]2CCCN2C(=O)c2coc3c2C(=O)CCC3)n1 ZINC000067884086 215241370 /nfs/dbraw/zinc/24/13/70/215241370.db2.gz YKDYWFYVNAEXBH-LBPRGKRZSA-N 0 0 343.383 3.282 50 0 EGAARN c1nc(-c2ccccc2)c([C@H]2CCOC2)n1Cc1n[nH]c2c1CCC2 ZINC000067921770 215251247 /nfs/dbraw/zinc/25/12/47/215251247.db2.gz SRYSJNZBGDKRNC-HNNXBMFYSA-N 0 0 334.423 3.314 50 0 EGAARN CN(Cc1ccoc1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000067934973 215252480 /nfs/dbraw/zinc/25/24/80/215252480.db2.gz VPEHHKMIKBUOMJ-UHFFFAOYSA-N 0 0 348.305 3.397 50 0 EGAARN Cc1cccc2[nH]c([C@H]3CCCN3C(=O)c3cc(C4CC4)n[nH]3)nc21 ZINC000067967155 215262542 /nfs/dbraw/zinc/26/25/42/215262542.db2.gz LIHXPUNAUPJIIB-MRXNPFEDSA-N 0 0 335.411 3.449 50 0 EGAARN CCOc1ccc2[nH]c3c(ncn(Cc4ccc(F)cc4)c3=O)c2c1 ZINC000002236516 209834356 /nfs/dbraw/zinc/83/43/56/209834356.db2.gz WMNVXKILWDUISD-UHFFFAOYSA-N 0 0 337.354 3.464 50 0 EGAARN CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000002083985 209817670 /nfs/dbraw/zinc/81/76/70/209817670.db2.gz RYZZJSJPMRLUON-GFCCVEGCSA-N 0 0 335.400 3.415 50 0 EGAARN COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000039928023 213244021 /nfs/dbraw/zinc/24/40/21/213244021.db2.gz WBOPTLASVNELEY-NSHDSACASA-N 0 0 344.205 3.188 50 0 EGAARN COc1ccccc1C(=O)Nc1nn(C)c2nc(C)c(Cl)c(C)c12 ZINC000001430843 209747742 /nfs/dbraw/zinc/74/77/42/209747742.db2.gz NRHZFHUGEZZING-UHFFFAOYSA-N 0 0 344.802 3.499 50 0 EGAARN O=C(Nc1ccn(Cc2ccccc2)n1)c1cc2ccccc2oc1=O ZINC000001430662 209747448 /nfs/dbraw/zinc/74/74/48/209747448.db2.gz 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/nfs/dbraw/zinc/66/75/80/209667580.db2.gz VGQZECCJGBRMDE-UHFFFAOYSA-N 0 0 326.352 3.406 50 0 EGAARN NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000545348 209657854 /nfs/dbraw/zinc/65/78/54/209657854.db2.gz MVAQDULOGORFRJ-UHFFFAOYSA-N 0 0 339.178 3.110 50 0 EGAARN COc1ccccc1-c1nnc(SCc2ccc(F)cc2)n1N ZINC000000530794 209650867 /nfs/dbraw/zinc/65/08/67/209650867.db2.gz IXLVUUNHFCISAB-UHFFFAOYSA-N 0 0 330.388 3.099 50 0 EGAARN O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1 ZINC000037866274 213171467 /nfs/dbraw/zinc/17/14/67/213171467.db2.gz ACGXHQUHVCDFCW-UHFFFAOYSA-N 0 0 339.420 3.301 50 0 EGAARN O=C(Nc1ccc(Br)c(Br)c1)[C@@H]1CCCO1 ZINC000000484156 209629587 /nfs/dbraw/zinc/62/95/87/209629587.db2.gz FRRYINJWMRJBNX-JTQLQIEISA-N 0 0 349.022 3.329 50 0 EGAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(OC)cc1OC ZINC000000475104 209624232 /nfs/dbraw/zinc/62/42/32/209624232.db2.gz XTNUCBWUEIALJT-UHFFFAOYSA-N 0 0 349.408 3.421 50 0 EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(Cl)c1 ZINC000000460894 209615795 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COc1cccc(NC(=S)NC(=O)c2cccc(C)c2OC)c1 ZINC000000568722 209667464 /nfs/dbraw/zinc/66/74/64/209667464.db2.gz IZTUXXPBUCPUFN-UHFFFAOYSA-N 0 0 330.409 3.139 50 0 EGAARN Clc1cccc(-n2ncc3c4nnc(-c5ccncc5)n4cnc32)c1 ZINC000000534333 209652677 /nfs/dbraw/zinc/65/26/77/209652677.db2.gz LWNVUZLPKPNNLC-UHFFFAOYSA-N 0 0 347.769 3.179 50 0 EGAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000000475824 209626211 /nfs/dbraw/zinc/62/62/11/209626211.db2.gz RFFBEYHIYCLSKR-UHFFFAOYSA-N 0 0 349.408 3.421 50 0 EGAARN CCOC(=O)c1c2c(sc1NC(=O)CC)CO[C@H](C(C)C)C2 ZINC000000477104 209625488 /nfs/dbraw/zinc/62/54/88/209625488.db2.gz IAIWFHRHOSQFQT-NSHDSACASA-N 0 0 325.430 3.371 50 0 EGAARN Cc1nc(CSc2nnc3ccc(-c4cccnc4)nn32)cs1 ZINC000036662689 213108589 /nfs/dbraw/zinc/10/85/89/213108589.db2.gz LUGQEQYHUVLRAU-UHFFFAOYSA-N 0 0 340.437 3.244 50 0 EGAARN COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3onc(C)c32)c1 ZINC000036613925 213101887 /nfs/dbraw/zinc/10/18/87/213101887.db2.gz LCXHHNMLERBNLP-LLVKDONJSA-N 0 0 325.368 3.339 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CC[C@H](C(=O)NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000085560766 454033745 /nfs/dbraw/zinc/03/37/45/454033745.db2.gz PXTZDSPTHUBOIB-IRXDYDNUSA-N 0 0 341.407 3.149 50 0 EGAARN COc1cc(NC(=O)c2cc(Br)ccc2Cl)ncn1 ZINC000077198728 454073567 /nfs/dbraw/zinc/07/35/67/454073567.db2.gz ZMMHRBFBPVQZFG-UHFFFAOYSA-N 0 0 342.580 3.153 50 0 EGAARN COc1ccc(-n2cccn2)c(-c2nccn2Cc2c(C)noc2C)c1 ZINC000077284711 454085501 /nfs/dbraw/zinc/08/55/01/454085501.db2.gz YLPDFKMOJNULBB-UHFFFAOYSA-N 0 0 349.394 3.398 50 0 EGAARN Cc1nccn1CC[C@H]1CCCCN1C(=O)CSc1ccccn1 ZINC000077287675 454086617 /nfs/dbraw/zinc/08/66/17/454086617.db2.gz DULCDRWOUMLZHI-MRXNPFEDSA-N 0 0 344.484 3.150 50 0 EGAARN CC(C)CCN1C[C@@]2(CCCN(Cc3nccs3)C2)CCC1=O ZINC000077298507 454087884 /nfs/dbraw/zinc/08/78/84/454087884.db2.gz QJFWIFSPURPTDL-SFHVURJKSA-N 0 0 335.517 3.394 50 0 EGAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000077322278 454091449 /nfs/dbraw/zinc/09/14/49/454091449.db2.gz GHBFWQBLIYZVLV-GOSISDBHSA-N 0 0 349.438 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C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000003908162 210090817 /nfs/dbraw/zinc/09/08/17/210090817.db2.gz UGAWXWRUMISQFK-RYUDHWBXSA-N 0 0 328.368 3.473 50 0 EGAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000003833919 210077994 /nfs/dbraw/zinc/07/79/94/210077994.db2.gz KCQWPWBPTYTXRB-UHFFFAOYSA-N 0 0 336.391 3.384 50 0 biogenic EGAARN Cc1n[nH]cc1-c1nn2c(nnc2-c2ccc(Cl)cc2F)s1 ZINC000044904030 213668754 /nfs/dbraw/zinc/66/87/54/213668754.db2.gz VCSVPWNKPZTZRJ-UHFFFAOYSA-N 0 0 334.767 3.344 50 0 EGAARN COc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1OC ZINC000003443556 210041440 /nfs/dbraw/zinc/04/14/40/210041440.db2.gz VIONLVQPDKTSAD-UHFFFAOYSA-N 0 0 343.379 3.116 50 0 EGAARN Cc1cc(C)cc(COC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1 ZINC000003420170 210034793 /nfs/dbraw/zinc/03/47/93/210034793.db2.gz JIZOJQUOVKEOSZ-UHFFFAOYSA-N 0 0 348.402 3.317 50 0 EGAARN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cc(C)no2)cc1 ZINC000102815797 219232727 /nfs/dbraw/zinc/23/27/27/219232727.db2.gz RZMRTQWMOFMXRQ-BJWYYQGGSA-N 0 0 340.423 3.471 50 0 EGAARN COc1cccc([C@@H](C)NC(=O)COC(=O)c2cc(F)cc(F)c2)c1 ZINC000067198037 215122363 /nfs/dbraw/zinc/12/23/63/215122363.db2.gz MBSJBLCFEGWMCD-LLVKDONJSA-N 0 0 349.333 3.008 50 0 EGAARN CC(C)(C)OC(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000067125975 215115283 /nfs/dbraw/zinc/11/52/83/215115283.db2.gz OIZLIAZZZBMALV-UHFFFAOYSA-N 0 0 333.432 3.140 50 0 EGAARN COc1cccc([C@@H](C)NC(=O)COC(=O)c2sccc2C)c1 ZINC000067197937 215122577 /nfs/dbraw/zinc/12/25/77/215122577.db2.gz CXLBXNGJJKTSPK-GFCCVEGCSA-N 0 0 333.409 3.099 50 0 EGAARN Cc1ccc(-n2cc(C(=O)NCc3cc(F)cc(F)c3)nn2)cc1C ZINC000067261890 215128746 /nfs/dbraw/zinc/12/87/46/215128746.db2.gz UYZGTUBYCSHFKU-UHFFFAOYSA-N 0 0 342.349 3.092 50 0 EGAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000003262145 209992425 /nfs/dbraw/zinc/99/24/25/209992425.db2.gz PXFQZUJBCXYDNI-UHFFFAOYSA-N 0 0 340.379 3.057 50 0 EGAARN COc1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1Cl ZINC000003231791 209983776 /nfs/dbraw/zinc/98/37/76/209983776.db2.gz MJAQZZMTBPWBQQ-UHFFFAOYSA-N 0 0 337.734 3.283 50 0 EGAARN CC(=O)c1[nH]c(C)c(C(=O)NCc2c[nH]nc2-c2cccs2)c1C ZINC000067676711 215182370 /nfs/dbraw/zinc/18/23/70/215182370.db2.gz SIJCPQVNOAVNRH-UHFFFAOYSA-N 0 0 342.424 3.216 50 0 EGAARN Cc1nc2cccc(C(=O)N3Cc4cnc(CC(C)C)nc4C3)c2[nH]1 ZINC000067654903 215175515 /nfs/dbraw/zinc/17/55/15/215175515.db2.gz PLCPHONVFUTKNO-UHFFFAOYSA-N 0 0 335.411 3.016 50 0 EGAARN CC(C)[C@@H](C)N(C)C(=O)c1cc(C[N@H+](C)CCc2ccccc2)on1 ZINC000067726050 215196875 /nfs/dbraw/zinc/19/68/75/215196875.db2.gz HFNWHGOYEMUMRY-MRXNPFEDSA-N 0 0 343.471 3.466 50 0 EGAARN CC(C)CC[C@H](C)NC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067739574 215199046 /nfs/dbraw/zinc/19/90/46/215199046.db2.gz OONXPFGNOBMHPX-AWEZNQCLSA-N 0 0 339.443 3.362 50 0 EGAARN CCc1nc(C)c(C(=O)N(CC)CCc2nc3cc(C)ccc3[nH]2)o1 ZINC000067739664 215199073 /nfs/dbraw/zinc/19/90/73/215199073.db2.gz XGJVOVOBCTWWTB-UHFFFAOYSA-N 0 0 340.427 3.435 50 0 EGAARN C[C@@H](C(=O)Nc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067785567 215212002 /nfs/dbraw/zinc/21/20/02/215212002.db2.gz WLOKUXJXRBVYQQ-HNNXBMFYSA-N 0 0 346.434 3.462 50 0 EGAARN COc1ccc(C2(C(=O)N(C)Cc3cnn(C)c3C)CCCC2)cc1 ZINC000067789219 215213691 /nfs/dbraw/zinc/21/36/91/215213691.db2.gz YHPNZZNWZGXYQH-UHFFFAOYSA-N 0 0 341.455 3.208 50 0 EGAARN CCc1cc([C@@H](C)n2cc(-c3cccc(OC)c3OC)nn2)on1 ZINC000067803107 215214713 /nfs/dbraw/zinc/21/47/13/215214713.db2.gz ZDAAKQRKUBHVJR-LLVKDONJSA-N 0 0 328.372 3.122 50 0 EGAARN Cc1nn(-c2cccc(-c3n[nH]c(C4CC4)n3)c2)c(=O)c2ccccc12 ZINC000067847132 215228613 /nfs/dbraw/zinc/22/86/13/215228613.db2.gz QZOBTLFNIXIFJH-UHFFFAOYSA-N 0 0 343.390 3.357 50 0 EGAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1 ZINC000002875216 209934175 /nfs/dbraw/zinc/93/41/75/209934175.db2.gz VARMTQFLPBMJGR-UHFFFAOYSA-N 0 0 328.759 3.356 50 0 EGAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1C ZINC000002870968 209932311 /nfs/dbraw/zinc/93/23/11/209932311.db2.gz NUXKAPZFTMOPFV-UHFFFAOYSA-N 0 0 346.452 3.278 50 0 EGAARN CC[C@@H](c1nc(C)no1)n1ccnc1-c1ccc(-n2cccn2)cc1 ZINC000067868514 215234882 /nfs/dbraw/zinc/23/48/82/215234882.db2.gz NJNRZNDAKDGGDL-INIZCTEOSA-N 0 0 334.383 3.427 50 0 EGAARN CC(=O)Nc1ccc(-c2nccn2Cc2ccc3c(c2)OCO3)cc1 ZINC000067871456 215235790 /nfs/dbraw/zinc/23/57/90/215235790.db2.gz QFHFDXIBHQYCDR-UHFFFAOYSA-N 0 0 335.363 3.286 50 0 EGAARN O=C(C1CCC1)N1CCCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000067871506 215235887 /nfs/dbraw/zinc/23/58/87/215235887.db2.gz XJXHYKJAHVJVGT-KRWDZBQOSA-N 0 0 348.512 3.434 50 0 EGAARN CCCOc1ccc2c(C)cc(=O)oc2c1I ZINC000002856326 209927688 /nfs/dbraw/zinc/92/76/88/209927688.db2.gz XSYDNBGNFQTFAT-UHFFFAOYSA-N 0 0 344.148 3.495 50 0 EGAARN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccncc1 ZINC000067895380 215244326 /nfs/dbraw/zinc/24/43/26/215244326.db2.gz CJKXTFSCTSCGPA-IBGZPJMESA-N 0 0 345.402 3.234 50 0 EGAARN COCC1(C(=O)NCc2cccnc2Oc2ccc(C)nc2)CCC1 ZINC000067919653 215249513 /nfs/dbraw/zinc/24/95/13/215249513.db2.gz PYGZFEXJKXUATJ-UHFFFAOYSA-N 0 0 341.411 3.010 50 0 EGAARN COC(=O)c1cc(C)sc1NC(=O)c1noc2c1C[C@@H](C)CC2 ZINC000002803797 209917308 /nfs/dbraw/zinc/91/73/08/209917308.db2.gz PUHYSPHCNIJXHL-QMMMGPOBSA-N 0 0 334.397 3.208 50 0 EGAARN FC(F)Oc1ccc(-c2cc(C(F)(F)F)n3ncnc3n2)cc1 ZINC000002800502 209915919 /nfs/dbraw/zinc/91/59/19/209915919.db2.gz RFDAVQBDJLDHMF-UHFFFAOYSA-N 0 0 330.216 3.412 50 0 EGAARN C[C@H](CNC(=O)/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000002750349 209902608 /nfs/dbraw/zinc/90/26/08/209902608.db2.gz JCEFYKGXVQGSMM-SJDJNAOBSA-N 0 0 334.419 3.034 50 0 EGAARN CCCC[C@H](CC)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002748183 209901935 /nfs/dbraw/zinc/90/19/35/209901935.db2.gz OFUYFQZEIUKDDO-AWEZNQCLSA-N 0 0 326.462 3.140 50 0 EGAARN CN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000005575763 282667867 /nfs/dbraw/zinc/66/78/67/282667867.db2.gz QPOFOOWUBFGLNJ-HNNXBMFYSA-N 0 0 327.286 3.246 50 0 EGAARN COc1ccc(C(=O)c2cnn(-c3ccc(Cl)cc3)c2N)cc1 ZINC000002522148 209863200 /nfs/dbraw/zinc/86/32/00/209863200.db2.gz TXQJVOQMPKLKOQ-UHFFFAOYSA-N 0 0 327.771 3.348 50 0 EGAARN CC(C)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 ZINC000002068112 209815981 /nfs/dbraw/zinc/81/59/81/209815981.db2.gz GOORFLXAZADGOX-GANFFNEQSA-N 0 0 341.407 3.035 50 0 EGAARN CCc1nc2ccccc2c(=O)n1CC(=O)N(CC)Cc1ccccc1 ZINC000040478663 213314118 /nfs/dbraw/zinc/31/41/18/213314118.db2.gz ODYGVMFWJJGXRZ-UHFFFAOYSA-N 0 0 349.434 3.008 50 0 EGAARN CCc1cccc(C)c1NC(=O)Cn1c(CC)nc2ccccc2c1=O ZINC000040478683 213313752 /nfs/dbraw/zinc/31/37/52/213313752.db2.gz RMXBKVUEZBXARG-UHFFFAOYSA-N 0 0 349.434 3.468 50 0 EGAARN COc1ccc(CCNC(=O)c2ccc3ccn(C)c3c2)cc1OC ZINC000040309469 213290938 /nfs/dbraw/zinc/29/09/38/213290938.db2.gz PAZXSKYQNRMQJK-UHFFFAOYSA-N 0 0 338.407 3.168 50 0 biogenic EGAARN O=C1C[C@H](c2ccc(F)c(F)c2)c2ncn(-c3cccnc3)c2N1 ZINC000040287278 213289419 /nfs/dbraw/zinc/28/94/19/213289419.db2.gz UCXRYYAWDCKXKF-GFCCVEGCSA-N 0 0 326.306 3.020 50 0 EGAARN CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000001436104 209749074 /nfs/dbraw/zinc/74/90/74/209749074.db2.gz GKBFRLAMTVIDHL-UHFFFAOYSA-N 0 0 334.416 3.312 50 0 EGAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Oc1ccccc1)c1ccccc1 ZINC000001427110 209746459 /nfs/dbraw/zinc/74/64/59/209746459.db2.gz MSPOMUWFJZWNBR-QZTJIDSGSA-N 0 0 331.437 3.355 50 0 EGAARN O=c1nc(Nc2c(F)c(F)cc(F)c2F)sc2ncccc12 ZINC000001427014 209746181 /nfs/dbraw/zinc/74/61/81/209746181.db2.gz XRGIQXMFXBYAHF-UHFFFAOYSA-N 0 0 327.262 3.352 50 0 EGAARN O=C(NC(=S)Nc1nccc(-c2cccs2)n1)c1ccccc1 ZINC000001404077 209740928 /nfs/dbraw/zinc/74/09/28/209740928.db2.gz RQHAZFGTLKNKIX-UHFFFAOYSA-N 0 0 340.433 3.332 50 0 EGAARN Ic1ccc(C2=CSC3=NCCN23)cc1 ZINC000000207321 283040456 /nfs/dbraw/zinc/04/04/56/283040456.db2.gz ZGLFIARODPQLSP-UHFFFAOYSA-N 0 0 328.178 3.008 50 0 EGAARN COC(=O)c1cc2c(ccn([C@@H](C)c3ccc(F)cc3)c2=O)nc1C ZINC000038784287 213225158 /nfs/dbraw/zinc/22/51/58/213225158.db2.gz XOBGYIJHEGJLEU-LBPRGKRZSA-N 0 0 340.354 3.240 50 0 EGAARN O=C(NCc1ccco1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000001068656 209707467 /nfs/dbraw/zinc/70/74/67/209707467.db2.gz VIPRESTVQCIKGN-UHFFFAOYSA-N 0 0 332.310 3.067 50 0 EGAARN Cc1noc(C)c1CC(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC000038754168 213223263 /nfs/dbraw/zinc/22/32/63/213223263.db2.gz SVAHJUDBKYFODI-UHFFFAOYSA-N 0 0 347.321 3.084 50 0 EGAARN COc1cccc(-c2cc(CNC(=O)c3sc(C)nc3C)no2)c1 ZINC000038753409 213223022 /nfs/dbraw/zinc/22/30/22/213223022.db2.gz DTAMCWPFIOFMBO-UHFFFAOYSA-N 0 0 343.408 3.354 50 0 EGAARN O=C(Nc1ccc(I)cc1)N1CCCCC1 ZINC000000858660 209693118 /nfs/dbraw/zinc/69/31/18/209693118.db2.gz QGXGZMVBVHCJPM-UHFFFAOYSA-N 0 0 330.169 3.309 50 0 EGAARN O=C(COC(=O)c1ccccn1)Nc1ccc(Cl)cc1Cl ZINC000000807515 209688018 /nfs/dbraw/zinc/68/80/18/209688018.db2.gz PHBMJUSNLKPRKP-UHFFFAOYSA-N 0 0 325.151 3.184 50 0 EGAARN O=C1C[C@H](c2nc(-c3ccccc3)no2)CN1Cc1cccs1 ZINC000038671145 213218717 /nfs/dbraw/zinc/21/87/17/213218717.db2.gz DLBINZDCSXRFAV-ZDUSSCGKSA-N 0 0 325.393 3.314 50 0 EGAARN C[C@@H]1CCCCN1C(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000038497792 213212666 /nfs/dbraw/zinc/21/26/66/213212666.db2.gz FCEFZOPURWBVBQ-GFCCVEGCSA-N 0 0 328.368 3.014 50 0 EGAARN CCOc1ccccc1NC(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000038489845 213211405 /nfs/dbraw/zinc/21/14/05/213211405.db2.gz JFKUCNLSIMOBNO-UHFFFAOYSA-N 0 0 341.411 3.360 50 0 EGAARN COc1ccccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000000545968 209659369 /nfs/dbraw/zinc/65/93/69/209659369.db2.gz BVSWXWWEPVRMQD-UHFFFAOYSA-N 0 0 339.347 3.128 50 0 biogenic EGAARN COc1ccc([C@H]2C[C@H](c3ccccc3OC)n3ncnc3N2)cc1 ZINC000000533210 209652811 /nfs/dbraw/zinc/65/28/11/209652811.db2.gz OOGBTEKZDKXMPH-IAGOWNOFSA-N 0 0 336.395 3.442 50 0 EGAARN CCOc1ccc(-c2nnc(SCc3ccccc3F)n2N)cc1 ZINC000000531321 209651427 /nfs/dbraw/zinc/65/14/27/209651427.db2.gz SZDZTIUTSWKUKK-UHFFFAOYSA-N 0 0 344.415 3.489 50 0 EGAARN CCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl ZINC000000529229 209650432 /nfs/dbraw/zinc/65/04/32/209650432.db2.gz OMGROURCQWLFSX-UHFFFAOYSA-N 0 0 325.817 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0 EGAARN NC(=O)c1c2c(sc1NC(=O)c1ccncc1)CCCCCC2 ZINC000000474793 452604216 /nfs/dbraw/zinc/60/42/16/452604216.db2.gz GIOIXQSPNXJYHT-UHFFFAOYSA-N 0 0 329.425 3.153 50 0 EGAARN CCSc1nnc(NC(=O)/C=C/c2ccc3c(c2)OCO3)s1 ZINC000000475943 452604470 /nfs/dbraw/zinc/60/44/70/452604470.db2.gz ZFPUOCORTIAGMR-GQCTYLIASA-N 0 0 335.410 3.031 50 0 aggregator EGAARN CCOc1ccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000000488477 452605833 /nfs/dbraw/zinc/60/58/33/452605833.db2.gz GKKZNTUUWUMQPD-SFHVURJKSA-N 0 0 349.390 3.234 50 0 EGAARN COc1cccc(OC)c1C(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C ZINC000000485999 452606079 /nfs/dbraw/zinc/60/60/79/452606079.db2.gz QPBJHVRLKOGAKF-PIGZYNQJSA-N 0 0 326.396 3.193 50 0 biogenic EGAARN COc1ccc(OC)c([C@@H]2OC(c3ccc(C)cc3)=NN2C(C)=O)c1 ZINC000000564348 452624615 /nfs/dbraw/zinc/62/46/15/452624615.db2.gz MVHIPEQOTPGQQF-IBGZPJMESA-N 0 0 340.379 3.251 50 0 EGAARN CCc1cc2c(ncnc2SCC(=O)NCc2ccco2)s1 ZINC000000572875 452627162 /nfs/dbraw/zinc/62/71/62/452627162.db2.gz 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/nfs/dbraw/zinc/66/21/09/452662109.db2.gz HZCVTYKCGYKDQQ-UHFFFAOYSA-N 0 0 339.420 3.159 50 0 EGAARN CCCCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001775274 452677271 /nfs/dbraw/zinc/67/72/71/452677271.db2.gz RQNHMHZSYQGMOG-VXGBXAGGSA-N 0 0 348.468 3.487 50 0 EGAARN CCCCCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1OC ZINC000001799550 452679713 /nfs/dbraw/zinc/67/97/13/452679713.db2.gz RZZHIQGXOPSOSJ-VQHVLOKHSA-N 0 0 333.428 3.136 50 0 EGAARN COCc1nnc(NC(=O)CCCOc2ccc(C)cc2C)s1 ZINC000001914050 452681142 /nfs/dbraw/zinc/68/11/42/452681142.db2.gz NHYWOBMYLLGFEZ-UHFFFAOYSA-N 0 0 335.429 3.099 50 0 EGAARN Cc1cc(C)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)n1 ZINC000001994222 452683284 /nfs/dbraw/zinc/68/32/84/452683284.db2.gz HPFXFZSOPPFCKC-UHFFFAOYSA-N 0 0 349.390 3.291 50 0 EGAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3F)N2C1=O ZINC000002251264 452689794 /nfs/dbraw/zinc/68/97/94/452689794.db2.gz AHSDNIWAJJBRRY-JSGCOSHPSA-N 0 0 348.399 3.037 50 0 EGAARN COc1ccccc1OCCNC(=O)c1cc(F)c(F)cc1Cl 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CC(C)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1 ZINC000002498039 452702562 /nfs/dbraw/zinc/70/25/62/452702562.db2.gz MVNDKAGLBCLCFM-UHFFFAOYSA-N 0 0 333.413 3.090 50 0 EGAARN CCCOC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000002551819 452704114 /nfs/dbraw/zinc/70/41/14/452704114.db2.gz XGLRSSGEVUTUIK-NSHDSACASA-N 0 0 333.331 3.462 50 0 EGAARN COc1ccc(CCNC(=O)COc2ccc(C)c(C)c2)cc1OC ZINC000002550066 452704650 /nfs/dbraw/zinc/70/46/50/452704650.db2.gz IITIMVQPZMRHCJ-UHFFFAOYSA-N 0 0 343.423 3.058 50 0 EGAARN CC(=O)Cc1nsc(NC(=O)c2csc3c2CC[C@@H](C)C3)n1 ZINC000002708130 452716087 /nfs/dbraw/zinc/71/60/87/452716087.db2.gz KYFWYLHUOQETMA-MRVPVSSYSA-N 0 0 335.454 3.108 50 0 EGAARN O=C(CNC(=O)c1ccco1)OCc1ccc(Cl)cc1Cl ZINC000002751216 452719040 /nfs/dbraw/zinc/71/90/40/452719040.db2.gz WCXOLVCDITWGPF-UHFFFAOYSA-N 0 0 328.151 3.060 50 0 EGAARN CCOc1ccccc1N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000002755400 452721225 /nfs/dbraw/zinc/72/12/25/452721225.db2.gz JMGIVNAZXZTUGV-UHFFFAOYSA-N 0 0 331.460 3.250 50 0 EGAARN CCCC[C@H](CC)C(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000002778593 452722732 /nfs/dbraw/zinc/72/27/32/452722732.db2.gz MFQSVEIGELLNCR-ZDUSSCGKSA-N 0 0 346.431 3.214 50 0 EGAARN Cc1nn(C)c(-c2nc3c4c5c(sc4ncn3n2)CCC5)c1Cl ZINC000002786224 452723370 /nfs/dbraw/zinc/72/33/70/452723370.db2.gz OHJWULIHXNQTJW-UHFFFAOYSA-N 0 0 344.831 3.190 50 0 EGAARN Cc1nn(C)cc1N1C(=S)N=NC1[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000002792109 452724417 /nfs/dbraw/zinc/72/44/17/452724417.db2.gz KDLHDUFGOSAUBQ-UONOGXRCSA-N 0 0 325.441 3.177 50 0 EGAARN CCn1nccc1CN(C)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 ZINC000002803899 452725918 /nfs/dbraw/zinc/72/59/18/452725918.db2.gz RHLFUJBQWMCFIO-ZDUSSCGKSA-N 0 0 344.459 3.314 50 0 EGAARN COc1cc(OC)c(C(=O)N2c3ccccc3C[C@H]2C)cc1OC ZINC000002872634 452731426 /nfs/dbraw/zinc/73/14/26/452731426.db2.gz PSCVFPWMNRYTBX-GFCCVEGCSA-N 0 0 327.380 3.304 50 0 EGAARN CCNS(=O)(=O)c1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000002873699 452731519 /nfs/dbraw/zinc/73/15/19/452731519.db2.gz 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/nfs/dbraw/zinc/79/80/96/452798096.db2.gz JBNNXCMDWWLWPU-GFCCVEGCSA-N 0 0 339.182 3.047 50 0 EGAARN Cc1nc2cc(NC(=O)N3CCN(c4ccccc4)CC3)ccc2n1C ZINC000004679322 452813382 /nfs/dbraw/zinc/81/33/82/452813382.db2.gz HSLBWTIFJJOLKA-UHFFFAOYSA-N 0 0 349.438 3.236 50 0 EGAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cccc2ccccc21 ZINC000004663911 452813458 /nfs/dbraw/zinc/81/34/58/452813458.db2.gz IHORFWLGKQNHRF-UHFFFAOYSA-N 0 0 334.379 3.494 50 0 EGAARN Cc1ccccc1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000004750488 452817251 /nfs/dbraw/zinc/81/72/51/452817251.db2.gz MLWCFPAVQPVVRZ-UHFFFAOYSA-N 0 0 344.842 3.376 50 0 EGAARN C[C@@H](SCc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000004857891 452822545 /nfs/dbraw/zinc/82/25/45/452822545.db2.gz JNIXPRVNIZDNNN-CYBMUJFWSA-N 0 0 326.421 3.294 50 0 EGAARN O=C(Cc1ccc(Cl)cc1)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153354 452839966 /nfs/dbraw/zinc/83/99/66/452839966.db2.gz YEZJFAJYTVSBFL-UHFFFAOYSA-N 0 0 340.810 3.357 50 0 EGAARN Cc1ccccc1NC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000005193816 452845067 /nfs/dbraw/zinc/84/50/67/452845067.db2.gz SKHRZJHPROUDJM-CQSZACIVSA-N 0 0 327.359 3.061 50 0 EGAARN CC[C@H]1CCCCN1C(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000005210149 452847752 /nfs/dbraw/zinc/84/77/52/452847752.db2.gz OZRXEONHFYXJAG-AWEZNQCLSA-N 0 0 330.457 3.355 50 0 EGAARN CCCCN(CCCC)S(=O)(=O)c1ccc2nc(N)sc2c1 ZINC000005236400 452849394 /nfs/dbraw/zinc/84/93/94/452849394.db2.gz QLVGHUICOMKZNI-UHFFFAOYSA-N 0 0 341.502 3.469 50 0 EGAARN O=C(/C=C\c1ccccc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005221117 452849921 /nfs/dbraw/zinc/84/99/21/452849921.db2.gz CWYUZSXQWKXSNW-BDJZEXMMSA-N 0 0 340.810 3.275 50 0 EGAARN Cc1csc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)n1 ZINC000005268871 452854007 /nfs/dbraw/zinc/85/40/07/452854007.db2.gz HZHWPHIVGGCHCW-UHFFFAOYSA-N 0 0 343.383 3.053 50 0 EGAARN C[S@@](=O)Cc1cc(Oc2ccccc2)nc(-c2ccncc2)n1 ZINC000005377740 452865355 /nfs/dbraw/zinc/86/53/55/452865355.db2.gz VLRMNFNGYXSIPJ-QHCPKHFHSA-N 0 0 325.393 3.209 50 0 EGAARN COc1ccc(-c2ccc(=O)n(Cc3ccccc3C)n2)cc1OC ZINC000005388698 452867589 /nfs/dbraw/zinc/86/75/89/452867589.db2.gz KOEZPLVXMXGADL-UHFFFAOYSA-N 0 0 336.391 3.284 50 0 EGAARN COc1ccc(NC(=O)Nc2ccccc2)cc1N1CCCC1=O ZINC000005441044 452872770 /nfs/dbraw/zinc/87/27/70/452872770.db2.gz GGCHKXCGYWUZNB-UHFFFAOYSA-N 0 0 325.368 3.466 50 0 EGAARN COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000005439937 452873401 /nfs/dbraw/zinc/87/34/01/452873401.db2.gz QNJSQZXDSRQDAZ-UHFFFAOYSA-N 0 0 338.407 3.312 50 0 EGAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc2ccccc2c1 ZINC000005451740 452874993 /nfs/dbraw/zinc/87/49/93/452874993.db2.gz NQOXEPHVNQGVAK-FQEVSTJZSA-N 0 0 335.334 3.392 50 0 EGAARN COc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(C)ccc3C)n2)cc1 ZINC000005452059 452875550 /nfs/dbraw/zinc/87/55/50/452875550.db2.gz IPUHDFQWONJNSZ-UHFFFAOYSA-N 0 0 349.390 3.110 50 0 EGAARN O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1cccc2ccccc21 ZINC000005451440 452875659 /nfs/dbraw/zinc/87/56/59/452875659.db2.gz 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O=S(=O)(C[C@H](O)CSc1ccc(Cl)cc1)c1ccccc1 ZINC000001385771 452658051 /nfs/dbraw/zinc/65/80/51/452658051.db2.gz SZEOPYOLYVTVEG-CYBMUJFWSA-N 0 0 342.869 3.267 50 0 EGAARN Cc1ccc([C@](C)(O)CS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000001388772 452658190 /nfs/dbraw/zinc/65/81/90/452658190.db2.gz AABUGWYIYRPMSD-QGZVFWFLSA-N 0 0 338.856 3.471 50 0 EGAARN CC[C@@]1(C)OC(=O)N(CCc2c(C)[nH]c3c2cccc3F)[C@]1(C)O ZINC000001421349 452663994 /nfs/dbraw/zinc/66/39/94/452663994.db2.gz PNGSTHQRQUQPAF-QZTJIDSGSA-N 0 0 334.391 3.487 50 0 EGAARN CCc1ccc(NC(=O)[C@H]2CC(=O)n3c4ccccc4nc3N2)cc1 ZINC000001461503 452665321 /nfs/dbraw/zinc/66/53/21/452665321.db2.gz RGXPWOWAKWWZRU-OAHLLOKOSA-N 0 0 334.379 3.062 50 0 EGAARN CCC(=O)c1cc2c(cc1NC(=O)c1ccccc1F)OCCO2 ZINC000001430254 452665537 /nfs/dbraw/zinc/66/55/37/452665537.db2.gz ZOUDWLZTRKHEJX-UHFFFAOYSA-N 0 0 329.327 3.442 50 0 EGAARN CC(C)CN1C(=O)c2ccc(C(=O)OCc3ccccc3)cc2C1=O ZINC000001788383 452678850 /nfs/dbraw/zinc/67/88/50/452678850.db2.gz XTTRGWFPNXCTDY-UHFFFAOYSA-N 0 0 337.375 3.296 50 0 EGAARN CCOCCSc1nc2sc3c(c2c(N)n1)CC(C)(C)OC3 ZINC000001901280 452681680 /nfs/dbraw/zinc/68/16/80/452681680.db2.gz VBONMVXRNZCHIA-UHFFFAOYSA-N 0 0 339.486 3.253 50 0 EGAARN CCOCC(=O)Nc1cccc(C(=O)Nc2ccccc2OCC)c1 ZINC000002069793 452686101 /nfs/dbraw/zinc/68/61/01/452686101.db2.gz NCXBZWMZTNUBAE-UHFFFAOYSA-N 0 0 342.395 3.313 50 0 EGAARN COc1ccc(CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002082061 452686232 /nfs/dbraw/zinc/68/62/32/452686232.db2.gz MVDMSOANFRDIBM-UHFFFAOYSA-N 0 0 345.267 3.363 50 0 EGAARN CCCC[C@H](CC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000002083986 452686762 /nfs/dbraw/zinc/68/67/62/452686762.db2.gz RYZZJSJPMRLUON-LBPRGKRZSA-N 0 0 335.400 3.415 50 0 EGAARN CCCCOc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000002183039 452688302 /nfs/dbraw/zinc/68/83/02/452688302.db2.gz WWPUTXUFPZTXRL-QGZVFWFLSA-N 0 0 341.407 3.435 50 0 EGAARN COc1cc(-c2nn3c(nnc3C(C)(C)C)s2)cc(OC)c1OC ZINC000002236336 452690797 /nfs/dbraw/zinc/69/07/97/452690797.db2.gz 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Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)Cc1cnccn1 ZINC000092591611 454591950 /nfs/dbraw/zinc/59/19/50/454591950.db2.gz LQGKPPWDHKAPSD-UHFFFAOYSA-N 0 0 325.391 3.050 50 0 EGAARN O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)NC1CCCC1 ZINC000169771907 454931130 /nfs/dbraw/zinc/93/11/30/454931130.db2.gz ISZAGCYLXHWUHQ-UHFFFAOYSA-N 0 0 325.416 3.346 50 0 EGAARN Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1nnc(CC(C)C)s1 ZINC000170624540 454944892 /nfs/dbraw/zinc/94/48/92/454944892.db2.gz YAPMDADLDCMSHO-UHFFFAOYSA-N 0 0 342.424 3.139 50 0 EGAARN COc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1Cl ZINC000151434691 454984746 /nfs/dbraw/zinc/98/47/46/454984746.db2.gz JYVGWNHMIWOLGO-UHFFFAOYSA-N 0 0 334.807 3.483 50 0 EGAARN O=C(CCc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220344 455006306 /nfs/dbraw/zinc/00/63/06/455006306.db2.gz QIAPZXJYBYIADV-UHFFFAOYSA-N 0 0 328.387 3.223 50 0 EGAARN O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000179611223 455061932 /nfs/dbraw/zinc/06/19/32/455061932.db2.gz URWRERVDMWTPGH-UHFFFAOYSA-N 0 0 334.423 3.185 50 0 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344.777 3.283 50 0 EGAARN CC(C)c1cc(C(=O)N(C)Cc2cnc3ccccc3c2)nc(N)n1 ZINC000219856947 456036604 /nfs/dbraw/zinc/03/66/04/456036604.db2.gz NSXNUOUEKWDZLP-UHFFFAOYSA-N 0 0 335.411 3.003 50 0 EGAARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccnc2ccccc21 ZINC000219891468 456036667 /nfs/dbraw/zinc/03/66/67/456036667.db2.gz FBPYVYWCZKRNHY-MOPGFXCFSA-N 0 0 340.423 3.105 50 0 EGAARN Cn1cnnc1Sc1ccc(CN2CCc3sccc3C2)o1 ZINC000219848524 456036853 /nfs/dbraw/zinc/03/68/53/456036853.db2.gz YRDTWTZMSYYGMG-UHFFFAOYSA-N 0 0 332.454 3.179 50 0 EGAARN O=C(CCc1ccccc1Cl)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000220681653 456040150 /nfs/dbraw/zinc/04/01/50/456040150.db2.gz SSFUXCDVQIKVIH-HNNXBMFYSA-N 0 0 331.847 3.408 50 0 EGAARN COC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000220650353 456040190 /nfs/dbraw/zinc/04/01/90/456040190.db2.gz BIUBOCRZBKGLFW-INIZCTEOSA-N 0 0 342.395 3.184 50 0 EGAARN O=C(NCc1noc(-c2ccccc2)n1)c1ccccc1N1CCCC1 ZINC000221387113 456043121 /nfs/dbraw/zinc/04/31/21/456043121.db2.gz 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/nfs/dbraw/zinc/06/02/54/456060254.db2.gz MZTVMBQKHOZWRI-AWEZNQCLSA-N 0 0 328.416 3.040 50 0 EGAARN O=C(/C=C/c1cccs1)Nc1cnc2cc(C(F)(F)F)nn2c1 ZINC000225570991 456093114 /nfs/dbraw/zinc/09/31/14/456093114.db2.gz ZHMXAHAWLQMFJL-ONEGZZNKSA-N 0 0 338.314 3.462 50 0 EGAARN O=C(NCCc1cncnc1)C1c2ccccc2Oc2ccccc21 ZINC000225589539 456095608 /nfs/dbraw/zinc/09/56/08/456095608.db2.gz YWENWSICEYUYJA-UHFFFAOYSA-N 0 0 331.375 3.073 50 0 EGAARN Cc1cccc(S(=O)(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000225611354 456098174 /nfs/dbraw/zinc/09/81/74/456098174.db2.gz UGGRATQKHRHDHA-MRXNPFEDSA-N 0 0 339.844 3.050 50 0 EGAARN O=C(CCCc1ccccc1)NCC1CCN(c2cccnc2)CC1 ZINC000225654668 456101939 /nfs/dbraw/zinc/10/19/39/456101939.db2.gz DKROHBZPBFCEPN-UHFFFAOYSA-N 0 0 337.467 3.437 50 0 EGAARN Cc1cccc(S(=O)(=O)NC[C@@H](O)c2csc3ccccc32)c1 ZINC000225695595 456104646 /nfs/dbraw/zinc/10/46/46/456104646.db2.gz KNEKPDSDAHZSBM-MRXNPFEDSA-N 0 0 347.461 3.222 50 0 EGAARN Cc1cc2oc(=O)c3c(c2c2c1[C@@H](c1ccncc1)CC(=O)O2)CCC3 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COCc1cc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)[nH]n1 ZINC000426485534 457840395 /nfs/dbraw/zinc/84/03/95/457840395.db2.gz BRJXCRGARJAMMT-QGZVFWFLSA-N 0 0 346.406 3.132 50 0 EGAARN Cc1nnc([C@H]2CCCN2C(=O)c2cc3cccc(C)c3nc2C)[nH]1 ZINC000426490267 457841819 /nfs/dbraw/zinc/84/18/19/457841819.db2.gz VLPWBXALSQJYEF-MRXNPFEDSA-N 0 0 335.411 3.255 50 0 EGAARN Cc1ncn(CCNC(=O)c2ccc(-c3ccnc(C)c3)cc2)c1C ZINC000426521571 457849027 /nfs/dbraw/zinc/84/90/27/457849027.db2.gz YDEQAZCLICSHIQ-UHFFFAOYSA-N 0 0 334.423 3.300 50 0 EGAARN COc1cc(C)c(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)cc1C ZINC000426551389 457854318 /nfs/dbraw/zinc/85/43/18/457854318.db2.gz VPXPNLVJSOPPBC-QGZVFWFLSA-N 0 0 325.408 3.186 50 0 EGAARN O=C(NCCC[C@@H]1CCOC1)c1ccc(-c2ncccc2F)cc1 ZINC000426551922 457854767 /nfs/dbraw/zinc/85/47/67/457854767.db2.gz CFOHQDWNDVXMFF-CQSZACIVSA-N 0 0 328.387 3.434 50 0 EGAARN O=C([O-])Cn1ccc([C@H]2CCC[N@H+](Cc3sccc3Cl)C2)n1 ZINC000426583897 457858827 /nfs/dbraw/zinc/85/88/27/457858827.db2.gz 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ZINC000032102140 202221702 /nfs/dbraw/zinc/22/17/02/202221702.db2.gz VCWSLXDZOCBAGY-NSHDSACASA-N 0 0 347.777 3.174 50 0 EGAARN COc1cccc2ccn(CC(=O)NCCc3c[nH]c4ccccc34)c21 ZINC000032124280 202222991 /nfs/dbraw/zinc/22/29/91/202222991.db2.gz KKQOXILFZJIVIY-UHFFFAOYSA-N 0 0 347.418 3.490 50 0 biogenic EGAARN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)on1 ZINC000033086945 202249510 /nfs/dbraw/zinc/24/95/10/202249510.db2.gz GLNNTADSRZCWRZ-OAHLLOKOSA-N 0 0 334.441 3.434 50 0 EGAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 ZINC000035325590 202297665 /nfs/dbraw/zinc/29/76/65/202297665.db2.gz RICQPBCYJSIDJE-MRXNPFEDSA-N 0 0 337.354 3.494 50 0 EGAARN Cc1ccc(N2C[C@H](C(=O)N3C[C@H](C)C[C@H](C)C3)CC2=O)c(C)c1 ZINC000035754633 202309368 /nfs/dbraw/zinc/30/93/68/202309368.db2.gz HJBHTNIFASDUOK-HLLBOEOZSA-N 0 0 328.456 3.161 50 0 EGAARN CCn1nc(-c2nn3c(nnc3-c3cccc(F)c3)s2)cc1C ZINC000036360576 202323546 /nfs/dbraw/zinc/32/35/46/202323546.db2.gz ZKGHMZBGHCLCRQ-UHFFFAOYSA-N 0 0 328.376 3.184 50 0 EGAARN COc1cccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)sc32)c1 ZINC000036358491 202322747 /nfs/dbraw/zinc/32/27/47/202322747.db2.gz VAKRKVSSVRDMPD-CYBMUJFWSA-N 0 0 345.424 3.112 50 0 EGAARN CC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000036354055 202323212 /nfs/dbraw/zinc/32/32/12/202323212.db2.gz OEHCALOLIBSDDN-UHFFFAOYSA-N 0 0 330.434 3.187 50 0 EGAARN O=C(/C=C/c1ccco1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070639878 202336857 /nfs/dbraw/zinc/33/68/57/202336857.db2.gz DMJCSPNCKZTJTO-NPQIQWPPSA-N 0 0 325.286 3.161 50 0 EGAARN Cc1cccc(NC(=O)CSc2ccc(-n3cccn3)nn2)c1C ZINC000070635166 202336988 /nfs/dbraw/zinc/33/69/88/202336988.db2.gz JYWACJSAJDWLAY-UHFFFAOYSA-N 0 0 339.424 3.010 50 0 EGAARN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1nn(C)c(C)c1Cl ZINC000036616863 202326755 /nfs/dbraw/zinc/32/67/55/202326755.db2.gz RGAWKIQIWICWIM-UHFFFAOYSA-N 0 0 346.822 3.016 50 0 EGAARN O=C(/C=C/c1ccccc1)N1CC(c2nc(-c3ccsc3)no2)C1 ZINC000075156509 202376130 /nfs/dbraw/zinc/37/61/30/202376130.db2.gz ZLPAHBQFWDBXAJ-VOTSOKGWSA-N 0 0 337.404 3.437 50 0 EGAARN O=C(Cc1cccc2ccccc21)NC[C@@]1(O)CCc2ccccc21 ZINC000075155684 202376200 /nfs/dbraw/zinc/37/62/00/202376200.db2.gz ILXMLBWKGCWRIF-QFIPXVFZSA-N 0 0 331.415 3.333 50 0 EGAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC(c2ccsc2)CC1 ZINC000075157141 202376396 /nfs/dbraw/zinc/37/63/96/202376396.db2.gz QDABKRVQPQSSOD-UHFFFAOYSA-N 0 0 342.420 3.062 50 0 EGAARN O=C(NC1CCCC1)c1cccn1Cc1nc(-c2ccccc2)no1 ZINC000075166066 202377667 /nfs/dbraw/zinc/37/76/67/202377667.db2.gz QOMXCWYFRKYBMJ-UHFFFAOYSA-N 0 0 336.395 3.259 50 0 EGAARN O[C@@H](COc1ccc(Cl)cc1)[C@@H](O)COc1ccc(Cl)cc1 ZINC000000395341 209567691 /nfs/dbraw/zinc/56/76/91/209567691.db2.gz JXSABZZWLVGFKQ-HOTGVXAUSA-N 0 0 343.206 3.173 50 0 EGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C)o1 ZINC000079193809 202426627 /nfs/dbraw/zinc/42/66/27/202426627.db2.gz TXSKKCHUOLKEDH-PBHICJAKSA-N 0 0 340.331 3.150 50 0 biogenic EGAARN Cn1ncc2c1nc(-c1ccncc1)nc2NCCc1cccc(F)c1 ZINC000072478390 216256764 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CC[C@@H](C)N(Cc1ccncc1)C(=O)c1ccc(C(=O)OC)cc1 ZINC000055053320 202677859 /nfs/dbraw/zinc/67/78/59/202677859.db2.gz UZFUKUFWFLJRBT-CQSZACIVSA-N 0 0 326.396 3.309 50 0 EGAARN O=C(COC(=O)c1cc(F)ccc1F)Nc1ccc(F)c(F)c1 ZINC000057472280 202723412 /nfs/dbraw/zinc/72/34/12/202723412.db2.gz PLJVFLOALSAARA-UHFFFAOYSA-N 0 0 327.233 3.039 50 0 EGAARN Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000023143513 212355269 /nfs/dbraw/zinc/35/52/69/212355269.db2.gz ALEWCIURLJGXKA-UHFFFAOYSA-N 0 0 333.453 3.278 50 0 EGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000000044313 201426462 /nfs/dbraw/zinc/42/64/62/201426462.db2.gz CDQGMFNWLQXNNI-GFCCVEGCSA-N 0 0 344.798 3.340 50 0 EGAARN O=C(NCc1ccco1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000000045089 201426590 /nfs/dbraw/zinc/42/65/90/201426590.db2.gz SFISVTHNFLSYBV-RGEXLXHISA-N 0 0 346.386 3.367 50 0 EGAARN COc1ccccc1C(=O)NCc1ccc2c3c(cccc31)C(=O)N2 ZINC000000072085 201429520 /nfs/dbraw/zinc/42/95/20/201429520.db2.gz JVUYRSQNOUAQNH-UHFFFAOYSA-N 0 0 332.359 3.344 50 0 EGAARN Cc1ncsc1CCN(C)C(=O)CCc1ccc(N(C)C)cc1 ZINC000215057281 241103001 /nfs/dbraw/zinc/10/30/01/241103001.db2.gz UHCMZQIJNUECQQ-UHFFFAOYSA-N 0 0 331.485 3.151 50 0 EGAARN CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000215061683 241103262 /nfs/dbraw/zinc/10/32/62/241103262.db2.gz VVIWLYVGPKVXEW-IBGZPJMESA-N 0 0 333.391 3.039 50 0 EGAARN O=C([C@@H]1CCc2ccccc21)N(CCCO)Cc1ccc(F)cc1 ZINC000215324416 241119577 /nfs/dbraw/zinc/11/95/77/241119577.db2.gz IMXWZWRPGYKWFM-LJQANCHMSA-N 0 0 327.399 3.267 50 0 EGAARN Cn1cccc(C(=O)N(Cc2cccc3ccccc32)C2CC2)c1=O ZINC000216105386 241161904 /nfs/dbraw/zinc/16/19/04/241161904.db2.gz XIIBPTKMPQGLCX-UHFFFAOYSA-N 0 0 332.403 3.343 50 0 EGAARN CCCn1cc(C(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)c(C)n1 ZINC000216088960 241164414 /nfs/dbraw/zinc/16/44/14/241164414.db2.gz XAIAEJWPYATVPD-UHFFFAOYSA-N 0 0 343.456 3.325 50 0 EGAARN O=C(NCc1ccc2nsnc2c1)[C@@H]1Cc2ccccc2S1 ZINC000216352550 241185010 /nfs/dbraw/zinc/18/50/10/241185010.db2.gz 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/nfs/dbraw/zinc/49/41/50/201494150.db2.gz CJPQIRJHIZUAQP-INIZCTEOSA-N 0 0 325.408 3.441 50 0 in-vitro EGAARN CO[C@@H]1CCCN(C(=O)c2oc(COc3ccccc3)cc2C)C1 ZINC000219260165 241372408 /nfs/dbraw/zinc/37/24/08/241372408.db2.gz LPQCIISOTCWFRE-MRXNPFEDSA-N 0 0 329.396 3.418 50 0 EGAARN CSCc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)o1 ZINC000219259362 241373218 /nfs/dbraw/zinc/37/32/18/241373218.db2.gz AZOHTNKETRGIGB-HNNXBMFYSA-N 0 0 346.452 3.359 50 0 EGAARN O=C(Cn1cnc2ccccc21)N1CCS[C@H](c2ccco2)CC1 ZINC000219366075 241382519 /nfs/dbraw/zinc/38/25/19/241382519.db2.gz GUHQROLAWWXQKM-KRWDZBQOSA-N 0 0 341.436 3.336 50 0 EGAARN COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000000460196 201476757 /nfs/dbraw/zinc/47/67/57/201476757.db2.gz WHLQBZVQJDKCCF-XBXARRHUSA-N 0 0 341.363 3.127 50 0 EGAARN CCN(Cc1noc(C2CCC2)n1)C(=O)c1cccnc1SC ZINC000219786443 241407853 /nfs/dbraw/zinc/40/78/53/241407853.db2.gz LVRDBWWPOIBKQW-UHFFFAOYSA-N 0 0 332.429 3.116 50 0 EGAARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CC1Cc2ccccc2C1 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LOGOFYJIHNHIRY-UHFFFAOYSA-N 0 0 327.380 3.422 50 0 biogenic EGAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2ncnc2N1 ZINC000000190080 452531718 /nfs/dbraw/zinc/53/17/18/452531718.db2.gz JXFUUVIBCCKLQC-KRWDZBQOSA-N 0 0 331.379 3.206 50 0 EGAARN O=C(c1nc2c(n1O)CCCCC2)c1ccc(Br)cc1 ZINC000000210488 452537908 /nfs/dbraw/zinc/53/79/08/452537908.db2.gz DPYUVEUOAQMOJI-UHFFFAOYSA-N 0 0 335.201 3.383 50 0 EGAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)Cc1cccs1 ZINC000000246542 452546319 /nfs/dbraw/zinc/54/63/19/452546319.db2.gz WMCABDPRODEPMX-GOSISDBHSA-N 0 0 336.501 3.367 50 0 EGAARN C/C=C(/C)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C ZINC000000265473 452549369 /nfs/dbraw/zinc/54/93/69/452549369.db2.gz AGABNGOXUSXQDD-XKGFZTIGSA-N 0 0 328.364 3.385 50 0 endogenous,in-man EGAARN CC(=O)Oc1ccccc1C(=O)NC(=S)Nc1ccccc1C ZINC000000283919 452553704 /nfs/dbraw/zinc/55/37/04/452553704.db2.gz REVJWCANWBEJLF-UHFFFAOYSA-N 0 0 328.393 3.047 50 0 EGAARN O=C(Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O)c1ccccc1 ZINC000000286948 452554844 /nfs/dbraw/zinc/55/48/44/452554844.db2.gz NZSWICSXADXCKI-ZDUSSCGKSA-N 0 0 333.347 3.235 50 0 EGAARN CCOc1ccccc1N1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000000294392 452556500 /nfs/dbraw/zinc/55/65/00/452556500.db2.gz GZCBFHNZZXOBJH-UHFFFAOYSA-N 0 0 342.439 3.122 50 0 EGAARN CCOC(=O)[C@H](CC)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000305557 452558949 /nfs/dbraw/zinc/55/89/49/452558949.db2.gz FTZJVPYHVXJDBS-PWSUYJOCSA-N 0 0 334.441 3.097 50 0 EGAARN COC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000309155 452561034 /nfs/dbraw/zinc/56/10/34/452561034.db2.gz QPMRXMFTHKZNCR-UHFFFAOYSA-N 0 0 328.315 3.428 50 0 EGAARN COc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1OC ZINC000000328770 452564869 /nfs/dbraw/zinc/56/48/69/452564869.db2.gz BRVPBABBQANOQO-UHFFFAOYSA-N 0 0 344.436 3.447 50 0 EGAARN O=C(c1nc2ncccn2n1)N(C1CCCCC1)C1CCCCC1 ZINC000000338947 452565921 /nfs/dbraw/zinc/56/59/21/452565921.db2.gz LEZKIEIAHALUIM-UHFFFAOYSA-N 0 0 327.432 3.232 50 0 EGAARN COc1cc(C(=O)Oc2ccccc2C(C)=O)cc(OC)c1OC ZINC000000359008 452569614 /nfs/dbraw/zinc/56/96/14/452569614.db2.gz BCNJEUILUMOKPS-UHFFFAOYSA-N 0 0 330.336 3.134 50 0 EGAARN CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(N)=O ZINC000000375316 452574513 /nfs/dbraw/zinc/57/45/13/452574513.db2.gz QSMLNFHJLWLMTG-UHFFFAOYSA-N 0 0 332.425 3.369 50 0 EGAARN COc1ccc(C(=O)Oc2ccc3oc(=O)cc(C)c3c2)cc1OC ZINC000000383194 452575739 /nfs/dbraw/zinc/57/57/39/452575739.db2.gz WRVKTRAXBYRXBN-UHFFFAOYSA-N 0 0 340.331 3.338 50 0 biogenic EGAARN CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000380327 452576425 /nfs/dbraw/zinc/57/64/25/452576425.db2.gz CWJSWYRSAUVVTJ-CQSZACIVSA-N 0 0 338.473 3.092 50 0 EGAARN O=C1[C@@H](Cc2c[nH]c3ccccc23)NC(=S)N1c1ccc(F)cc1 ZINC000000386497 452578558 /nfs/dbraw/zinc/57/85/58/452578558.db2.gz XRNBRGKCIQCQHG-MRXNPFEDSA-N 0 0 339.395 3.139 50 0 EGAARN CCc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)o1 ZINC000000411557 452580724 /nfs/dbraw/zinc/58/07/24/452580724.db2.gz VMDFWDPKKRVVBU-UHFFFAOYSA-N 0 0 340.408 3.425 50 0 EGAARN Cc1cc(=O)n2c(n1)S[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 ZINC000000408975 452581508 /nfs/dbraw/zinc/58/15/08/452581508.db2.gz FYVFLBHFAAZWAR-PKOBYXMFSA-N 0 0 336.416 3.092 50 0 EGAARN O=C(COc1ccccc1)N1CCN=C1SCc1ccccc1 ZINC000000429405 452588762 /nfs/dbraw/zinc/58/87/62/452588762.db2.gz KFXISLMFCUAARK-UHFFFAOYSA-N 0 0 326.421 3.197 50 0 EGAARN CCOc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1Cl ZINC000000450358 452595448 /nfs/dbraw/zinc/59/54/48/452595448.db2.gz YVPLAEYXIJKMJT-UHFFFAOYSA-N 0 0 335.816 3.261 50 0 EGAARN COc1cccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2O)c1 ZINC000000456747 452597366 /nfs/dbraw/zinc/59/73/66/452597366.db2.gz DESZRLWYYGTZFA-UHFFFAOYSA-N 0 0 330.409 3.144 50 0 EGAARN COc1ccc(CCNC(=O)COc2cc(C)cc(C)c2C)cc1 ZINC000000461078 452598687 /nfs/dbraw/zinc/59/86/87/452598687.db2.gz BDGUBCXRTIRPOC-UHFFFAOYSA-N 0 0 327.424 3.358 50 0 EGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O ZINC000000469577 452600799 /nfs/dbraw/zinc/60/07/99/452600799.db2.gz LFNJWWFSDYMUDB-UHFFFAOYSA-N 0 0 332.787 3.235 50 0 EGAARN Cc1ccc(OC[C@@H](O)CN(C)C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000466230 452600939 /nfs/dbraw/zinc/60/09/39/452600939.db2.gz AOJITJGVDXLNRG-KRWDZBQOSA-N 0 0 347.842 3.469 50 0 EGAARN Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000000466926 452601290 /nfs/dbraw/zinc/60/12/90/452601290.db2.gz RWGKFQIEVRMWIX-UHFFFAOYSA-N 0 0 342.414 3.170 50 0 EGAARN CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCC(C)C ZINC000000473682 452602680 /nfs/dbraw/zinc/60/26/80/452602680.db2.gz VGEZPNMWBFDYIQ-ZROIWOOFSA-N 0 0 348.468 3.150 50 0 EGAARN Cc1occc1C(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F ZINC000000506205 452610351 /nfs/dbraw/zinc/61/03/51/452610351.db2.gz COXBIELERYKMOZ-OAHLLOKOSA-N 0 0 338.285 3.089 50 0 EGAARN COc1cccc(-c2nnc(SCc3ccc(F)cc3)n2N)c1 ZINC000000525103 452611641 /nfs/dbraw/zinc/61/16/41/452611641.db2.gz VKRWIZUURXYNGM-UHFFFAOYSA-N 0 0 330.388 3.099 50 0 EGAARN CCn1c(SCc2c(F)cccc2F)nnc1-c1cnccn1 ZINC000000531131 452615824 /nfs/dbraw/zinc/61/58/24/452615824.db2.gz DHTLYLCMLYVKMS-UHFFFAOYSA-N 0 0 333.367 3.326 50 0 EGAARN CC1(C)Cc2c(sc3ncn4nc(-c5ccncc5)nc4c23)CO1 ZINC000000547645 452619532 /nfs/dbraw/zinc/61/95/32/452619532.db2.gz ZTMHMNXNVYLCJX-UHFFFAOYSA-N 0 0 337.408 3.252 50 0 EGAARN Cc1ccc(CNC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000000555656 452619622 /nfs/dbraw/zinc/61/96/22/452619622.db2.gz XKNPONBPQZNISB-UHFFFAOYSA-N 0 0 330.387 3.425 50 0 EGAARN COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000000563053 452623871 /nfs/dbraw/zinc/62/38/71/452623871.db2.gz XYHKBPQTEHMXKF-UHFFFAOYSA-N 0 0 349.770 3.153 50 0 EGAARN O=C(CSc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000000568568 452623922 /nfs/dbraw/zinc/62/39/22/452623922.db2.gz UCDBGIWEDNCWAI-UHFFFAOYSA-N 0 0 330.428 3.267 50 0 EGAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000000582801 452628736 /nfs/dbraw/zinc/62/87/36/452628736.db2.gz IPNDPOCWKVZRGH-UHFFFAOYSA-N 0 0 344.436 3.032 50 0 EGAARN COc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1OC ZINC000000610283 452629487 /nfs/dbraw/zinc/62/94/87/452629487.db2.gz BCQHZLZXCVIINR-UHFFFAOYSA-N 0 0 334.416 3.372 50 0 EGAARN COC(=O)c1ccccc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000000610322 452630031 /nfs/dbraw/zinc/63/00/31/452630031.db2.gz NOHDILWAAQBYQD-UHFFFAOYSA-N 0 0 332.787 3.491 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000000611606 452631261 /nfs/dbraw/zinc/63/12/61/452631261.db2.gz NQHLDNVGCZLDKI-UHFFFAOYSA-N 0 0 330.359 3.367 50 0 EGAARN CC(C)CN1C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000000614203 452631345 /nfs/dbraw/zinc/63/13/45/452631345.db2.gz NAOZACIAFFAZNS-UHFFFAOYSA-N 0 0 336.391 3.120 50 0 EGAARN CC(C)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000000611404 452631501 /nfs/dbraw/zinc/63/15/01/452631501.db2.gz MFVIRBHURIPJGT-UHFFFAOYSA-N 0 0 346.452 3.458 50 0 EGAARN Cc1cc2ncn([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)c2cc1C ZINC000000614289 452631736 /nfs/dbraw/zinc/63/17/36/452631736.db2.gz AKCWSPBGPWUTAS-GOSISDBHSA-N 0 0 333.391 3.153 50 0 EGAARN O=C(CCc1ccccc1)NC(=S)Nc1cccc2nsnc21 ZINC000000614554 452631853 /nfs/dbraw/zinc/63/18/53/452631853.db2.gz MCCCFSPTBUHBOF-UHFFFAOYSA-N 0 0 342.449 3.137 50 0 EGAARN c1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 ZINC000000612411 452631956 /nfs/dbraw/zinc/63/19/56/452631956.db2.gz WZGKYBPDQNIVHB-UHFFFAOYSA-N 0 0 336.376 3.172 50 0 EGAARN COc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1 ZINC000000819403 452637213 /nfs/dbraw/zinc/63/72/13/452637213.db2.gz FHBRFLAOVYMCJT-UHFFFAOYSA-N 0 0 329.381 3.418 50 0 EGAARN Cc1cc2nc(CSc3nnnn3-c3ccccc3)[nH]c2cc1C ZINC000000828637 452637861 /nfs/dbraw/zinc/63/78/61/452637861.db2.gz DALPTNGLHKNZCL-UHFFFAOYSA-N 0 0 336.424 3.448 50 0 EGAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)c1 ZINC000000859602 452638056 /nfs/dbraw/zinc/63/80/56/452638056.db2.gz GKJQSEGCYXOCIJ-UHFFFAOYSA-N 0 0 344.436 3.447 50 0 EGAARN CC(C)[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC1=O ZINC000001020795 452642643 /nfs/dbraw/zinc/64/26/43/452642643.db2.gz BKHJLGKGZRUVCH-HXUWFJFHSA-N 0 0 336.435 3.149 50 0 EGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000001072354 452644505 /nfs/dbraw/zinc/64/45/05/452644505.db2.gz BHDSNXUHVDHFHN-OAHLLOKOSA-N 0 0 338.407 3.304 50 0 EGAARN COc1ccc(CNC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000001237479 452648876 /nfs/dbraw/zinc/64/88/76/452648876.db2.gz BOJBISMNOKGABG-UHFFFAOYSA-N 0 0 341.436 3.288 50 0 EGAARN Cc1cc(NC(=O)CSc2ccc(-c3ccccc3)nn2)no1 ZINC000001332419 452653776 /nfs/dbraw/zinc/65/37/76/452653776.db2.gz UBBJSRUCDIZSAE-UHFFFAOYSA-N 0 0 326.381 3.171 50 0 EGAARN O=C(CNC(=O)[C@H]1Cc2c(ccc3ccccc23)O1)c1ccccc1 ZINC000001398994 452659368 /nfs/dbraw/zinc/65/93/68/452659368.db2.gz NBEUTNMWFZUFPO-HXUWFJFHSA-N 0 0 331.371 3.142 50 0 EGAARN Cc1c(C(=O)CSc2ccc(F)cc2F)sc2ncnn12 ZINC000001402674 452662433 /nfs/dbraw/zinc/66/24/33/452662433.db2.gz JOIGPUGGKUAXEL-UHFFFAOYSA-N 0 0 325.365 3.352 50 0 EGAARN Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000001430269 452665951 /nfs/dbraw/zinc/66/59/51/452665951.db2.gz YYHZRSIEWBQLEA-UHFFFAOYSA-N 0 0 344.300 3.412 50 0 EGAARN Nc1c2cc3c(nc2sc1C(=O)Nc1nccs1)CCCC3=O ZINC000001817764 452678405 /nfs/dbraw/zinc/67/84/05/452678405.db2.gz IWDKSIOHIYCOBV-UHFFFAOYSA-N 0 0 344.421 3.106 50 0 EGAARN CC(C(=O)NCCCn1ccnc1)(c1ccccc1)c1ccccc1 ZINC000001884447 452680736 /nfs/dbraw/zinc/68/07/36/452680736.db2.gz YKUKZDHIHAUDSE-UHFFFAOYSA-N 0 0 333.435 3.396 50 0 EGAARN CCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000002396198 452694951 /nfs/dbraw/zinc/69/49/51/452694951.db2.gz JSWCBKYUXFKTKA-UHFFFAOYSA-N 0 0 345.406 3.296 50 0 EGAARN C[C@H]1CCc2sc3nc(NC[C@H]4CCCO4)n4ncnc4c3c2C1 ZINC000002453221 452697977 /nfs/dbraw/zinc/69/79/77/452697977.db2.gz FEHHOUUIOMQUFK-WDEREUQCSA-N 0 0 343.456 3.055 50 0 EGAARN NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000002655517 452712467 /nfs/dbraw/zinc/71/24/67/452712467.db2.gz YMBBCZJAZVLRDO-UHFFFAOYSA-N 0 0 343.433 3.126 50 0 EGAARN COc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21 ZINC000002699799 452714238 /nfs/dbraw/zinc/71/42/38/452714238.db2.gz RUKPFYZCIFCSBG-UHFFFAOYSA-N 0 0 325.364 3.002 50 0 EGAARN O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(F)c(Cl)c1 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Cc1cnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1N ZINC000071551871 454208896 /nfs/dbraw/zinc/20/88/96/454208896.db2.gz LFAPBVJGJMALSK-ZDUSSCGKSA-N 0 0 339.226 3.252 50 0 EGAARN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1OC ZINC000046085638 454215557 /nfs/dbraw/zinc/21/55/57/454215557.db2.gz QWHAHWPIVFMSGP-INIZCTEOSA-N 0 0 347.386 3.187 50 0 EGAARN Cc1nc(CCNC(=O)[C@@H](C)n2ccnc2C(C)C)sc1Cl ZINC000095496696 454221377 /nfs/dbraw/zinc/22/13/77/454221377.db2.gz ZUNGOONMCWASTA-LLVKDONJSA-N 0 0 340.880 3.345 50 0 EGAARN COC(=O)c1ccc(NC(=O)N(C)C2CCSCC2)c(Cl)c1 ZINC000095500960 454222161 /nfs/dbraw/zinc/22/21/61/454222161.db2.gz COCXNHPMOVOFLD-UHFFFAOYSA-N 0 0 342.848 3.486 50 0 EGAARN COc1ccc(-c2ccccc2NC(=O)N2CCC[C@H]2CO)cc1 ZINC000095506074 454223362 /nfs/dbraw/zinc/22/33/62/454223362.db2.gz UBUIRMWSRHUHDO-HNNXBMFYSA-N 0 0 326.396 3.351 50 0 EGAARN CCCn1nccc1NC(=O)N[C@@H](c1cccnc1)C(F)(F)F ZINC000095510311 454225459 /nfs/dbraw/zinc/22/54/59/454225459.db2.gz NRMMLPCWFZKQKD-LBPRGKRZSA-N 0 0 327.310 3.113 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ZINC000091493147 454442457 /nfs/dbraw/zinc/44/24/57/454442457.db2.gz DUJAWCXIPNKQJU-UHFFFAOYSA-N 0 0 329.444 3.251 50 0 EGAARN Cc1cc2cc(C(=O)N3CCCN(C(=O)C4CCC4)CC3)ccc2o1 ZINC000091505538 454443675 /nfs/dbraw/zinc/44/36/75/454443675.db2.gz HDFDMKIGFCIPHR-UHFFFAOYSA-N 0 0 340.423 3.216 50 0 EGAARN Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000097698839 454444359 /nfs/dbraw/zinc/44/43/59/454444359.db2.gz YFJBOXNXVXPVBV-GFCCVEGCSA-N 0 0 338.333 3.201 50 0 EGAARN CSCc1noc([C@H]2CCC(=O)N(CCCc3ccccc3)C2)n1 ZINC000091547764 454444560 /nfs/dbraw/zinc/44/45/60/454444560.db2.gz FFYXKFYMXYYUFO-HNNXBMFYSA-N 0 0 345.468 3.271 50 0 EGAARN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)c1ccc[nH]1 ZINC000091547703 454445307 /nfs/dbraw/zinc/44/53/07/454445307.db2.gz VTAJPVZZAUAUPH-CQSZACIVSA-N 0 0 341.459 3.375 50 0 EGAARN CCc1nc(C)c(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)o1 ZINC000097772706 454446378 /nfs/dbraw/zinc/44/63/78/454446378.db2.gz FWNINJYEXSOGTF-INIZCTEOSA-N 0 0 338.411 3.303 50 0 EGAARN CC[C@H]1C=CCN1C(=O)c1cnc(CSc2ccccc2)[nH]c1=O ZINC000091625227 454451060 /nfs/dbraw/zinc/45/10/60/454451060.db2.gz QHDKXDAHGTXRPM-ZDUSSCGKSA-N 0 0 341.436 3.265 50 0 EGAARN Cc1cnc(C)c(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 ZINC000091656538 454454144 /nfs/dbraw/zinc/45/41/44/454454144.db2.gz NUVLUUNPWOMWDH-UHFFFAOYSA-N 0 0 348.454 3.117 50 0 EGAARN CCCN1C[C@@H](NC(=O)c2cc(Cl)c(C)c(Cl)c2)CC1=O ZINC000091643371 454454160 /nfs/dbraw/zinc/45/41/60/454454160.db2.gz PGCXFJZPJGMCQW-NSHDSACASA-N 0 0 329.227 3.043 50 0 EGAARN C[C@@H]1CCc2sc(C(=O)N(C)Cc3nc(C4CC4)no3)cc2C1 ZINC000091665569 454454991 /nfs/dbraw/zinc/45/49/91/454454991.db2.gz ZLMKDZFQPQULBA-SNVBAGLBSA-N 0 0 331.441 3.406 50 0 EGAARN CCCCc1cn(C[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)nn1 ZINC000063883866 454457228 /nfs/dbraw/zinc/45/72/28/454457228.db2.gz JDVBHMPHHZJEQX-INIZCTEOSA-N 0 0 344.459 3.383 50 0 EGAARN COc1nc2c(cc1C(=O)N1CCC[C@@H]1c1nccs1)CCC2 ZINC000091691583 454458785 /nfs/dbraw/zinc/45/87/85/454458785.db2.gz ARKKZNAIOJCWQW-CQSZACIVSA-N 0 0 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CC1(C)C(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1(C)C ZINC000091943730 278180920 /nfs/dbraw/zinc/18/09/20/278180920.db2.gz VDYQTUVXWACIRN-UHFFFAOYSA-N 0 0 341.455 3.094 50 0 EGAARN CC(C)CCN1c2ccccc2[C@@]2(NC(=O)c3ccccc3O2)C1=O ZINC000008880026 278764234 /nfs/dbraw/zinc/76/42/34/278764234.db2.gz PQLVHEXUHZFJLM-FQEVSTJZSA-N 0 0 336.391 3.055 50 0 biogenic EGAARN C[C@@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)C1 ZINC000169682695 278952977 /nfs/dbraw/zinc/95/29/77/278952977.db2.gz CDRATIGPTPGOAY-HZSPNIEDSA-N 0 0 325.412 3.465 50 0 EGAARN CCOc1ccc2c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)C[C@H]2O ZINC000096341540 279967360 /nfs/dbraw/zinc/96/73/60/279967360.db2.gz XZYDOKUTZWKUEI-DNVCBOLYSA-N 0 0 349.427 3.281 50 0 EGAARN O=C1Nc2ccccc2[C@@]12CCCN(c1cnc3ccccc3n1)C2 ZINC000072167672 280304936 /nfs/dbraw/zinc/30/49/36/280304936.db2.gz TVCBAXKVHFIKKF-FQEVSTJZSA-N 0 0 330.391 3.120 50 0 EGAARN CC(C)c1cc(CN(C)C(=O)[C@@H](c2ccccc2F)N(C)C)no1 ZINC000095352609 280583776 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Cc1cc(C)n2nc(-c3cnn(C)c3C(F)(F)F)c(Cl)c2n1 ZINC000005960928 301258541 /nfs/dbraw/zinc/25/85/41/301258541.db2.gz MWSJJGGZPJMSAS-UHFFFAOYSA-N 0 0 329.713 3.419 50 0 EGAARN O=S(=O)(NC1CC1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000068741105 304758346 /nfs/dbraw/zinc/75/83/46/304758346.db2.gz MMAKREVSNGNWBE-UHFFFAOYSA-N 0 0 333.253 3.165 50 0 EGAARN O=c1c2c3c(c[nH]c-2nn1-c1ccccc1)C(=O)C[C@H](c1ccco1)C3 ZINC000100130393 304816061 /nfs/dbraw/zinc/81/60/61/304816061.db2.gz KWJXGVYVUYNAFT-GFCCVEGCSA-N 0 0 345.358 3.220 50 0 EGAARN Cc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccc(Cl)c2)s1 ZINC000225611479 456098790 /nfs/dbraw/zinc/09/87/90/456098790.db2.gz DONXCTXSNLPOKH-CYBMUJFWSA-N 0 0 345.873 3.112 50 0 EGAARN Cc1ccc2c(=O)cc(C(=O)Nc3ccnn3Cc3ccco3)oc2c1 ZINC000238881912 455259805 /nfs/dbraw/zinc/25/98/05/455259805.db2.gz BLHQTBMKRZCLRK-UHFFFAOYSA-N 0 0 349.346 3.192 50 0 EGAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000239046331 455260304 /nfs/dbraw/zinc/26/03/04/455260304.db2.gz 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CCOC(=O)/C=C1\NC2(CCCC2)Cc2cc(OC)c(OC)cc21 ZINC000000240969 452544077 /nfs/dbraw/zinc/54/40/77/452544077.db2.gz VCESKYHVXFKWCF-PTNGSMBKSA-N 0 0 331.412 3.066 50 0 biogenic EGAARN O=C(COc1ccc(Cl)cc1)N1C[C@H](c2ccccc2)CC1=O ZINC000000264373 452550393 /nfs/dbraw/zinc/55/03/93/452550393.db2.gz BFXUPXZAPMLLGY-CQSZACIVSA-N 0 0 329.783 3.262 50 0 EGAARN Cc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2(O)C(F)(F)F)cc1 ZINC000000280222 452553129 /nfs/dbraw/zinc/55/31/29/452553129.db2.gz NFBUYGJJRDKMSD-IUODEOHRSA-N 0 0 326.318 3.248 50 0 EGAARN CCOc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1 ZINC000000283189 452553818 /nfs/dbraw/zinc/55/38/18/452553818.db2.gz JADUFKLVIMQEBP-UHFFFAOYSA-N 0 0 342.420 3.112 50 0 EGAARN COc1cc(C(=O)OCC(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000000292844 452554124 /nfs/dbraw/zinc/55/41/24/452554124.db2.gz BOIGDMKZEOXRNU-UHFFFAOYSA-N 0 0 344.363 3.061 50 0 EGAARN Cc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 ZINC000000308786 452560407 /nfs/dbraw/zinc/56/04/07/452560407.db2.gz HHTORJGMJIKTIP-QGZVFWFLSA-N 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/nfs/dbraw/zinc/58/30/78/452583078.db2.gz IURXABHFPCYQQU-UHFFFAOYSA-N 0 0 330.409 3.384 50 0 EGAARN CCCN(CCC)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000000426906 452588902 /nfs/dbraw/zinc/58/89/02/452588902.db2.gz WVTBNGQUZWZXMG-UHFFFAOYSA-N 0 0 343.452 3.480 50 0 EGAARN COc1cccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000000427041 452588976 /nfs/dbraw/zinc/58/89/76/452588976.db2.gz NLTFITPHNKWARL-FQEVSTJZSA-N 0 0 344.455 3.025 50 0 EGAARN O=C(COc1ccccc1)Nc1nnc(COc2ccccc2)s1 ZINC000000439965 452592381 /nfs/dbraw/zinc/59/23/81/452592381.db2.gz WMOQLIDKEXHCRK-UHFFFAOYSA-N 0 0 341.392 3.135 50 0 EGAARN C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1 ZINC000000442589 452592407 /nfs/dbraw/zinc/59/24/07/452592407.db2.gz MAMGBHZLPZKXPP-LLVKDONJSA-N 0 0 328.437 3.153 50 0 EGAARN CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000000459983 452598789 /nfs/dbraw/zinc/59/87/89/452598789.db2.gz KTDOMSRHUKZJJN-UHFFFAOYSA-N 0 0 346.814 3.496 50 0 EGAARN Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000000464269 452600753 /nfs/dbraw/zinc/60/07/53/452600753.db2.gz GWUGAPSHMCUFEK-CQSZACIVSA-N 0 0 327.380 3.116 50 0 EGAARN CCCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000000470789 452602514 /nfs/dbraw/zinc/60/25/14/452602514.db2.gz RRUHQDNDIWVEBR-UHFFFAOYSA-N 0 0 331.763 3.249 50 0 EGAARN CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000479693 452603742 /nfs/dbraw/zinc/60/37/42/452603742.db2.gz IPUXQZUVIKCIEV-UHFFFAOYSA-N 0 0 325.817 3.217 50 0 EGAARN COC(=O)c1ccccc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000000488885 452606654 /nfs/dbraw/zinc/60/66/54/452606654.db2.gz RDTDQRWNHAYKEH-UHFFFAOYSA-N 0 0 337.379 3.319 50 0 biogenic EGAARN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000000496558 452607625 /nfs/dbraw/zinc/60/76/25/452607625.db2.gz MSSVHVCWXITNDU-PKNBQFBNSA-N 0 0 341.363 3.142 50 0 EGAARN CNc1ccc(Br)cc1-c1nc2ccccc2n(C)c1=O ZINC000000494935 452607876 /nfs/dbraw/zinc/60/78/76/452607876.db2.gz SIAYJYGJCGFJMZ-UHFFFAOYSA-N 0 0 344.212 3.405 50 0 EGAARN CCOc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 ZINC000000525129 452612127 /nfs/dbraw/zinc/61/21/27/452612127.db2.gz OVSOETRLOJVRJF-UHFFFAOYSA-N 0 0 337.408 3.097 50 0 EGAARN CC1(C)Cc2c(sc3ncn(Nc4ccccc4)c(=O)c23)CO1 ZINC000000521350 452612263 /nfs/dbraw/zinc/61/22/63/452612263.db2.gz KGNYQKWOLYTQMF-UHFFFAOYSA-N 0 0 327.409 3.185 50 0 EGAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000000532246 452616379 /nfs/dbraw/zinc/61/63/79/452616379.db2.gz UTYXLIFJTCEVEH-HNNXBMFYSA-N 0 0 334.847 3.205 50 0 EGAARN COc1cccc([C@@H]2N3CCCN3C(=S)N2c2ccccc2)c1 ZINC000000553193 452621078 /nfs/dbraw/zinc/62/10/78/452621078.db2.gz HILHBJOKVUHPDP-QGZVFWFLSA-N 0 0 325.437 3.422 50 0 EGAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C)cc2O)cc1 ZINC000000569271 452625800 /nfs/dbraw/zinc/62/58/00/452625800.db2.gz HVUXFCDAQKDPDK-UXBLZVDNSA-N 0 0 342.420 3.236 50 0 EGAARN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000000588395 452630023 /nfs/dbraw/zinc/63/00/23/452630023.db2.gz DLXMVFLSRXMKFA-UHFFFAOYSA-N 0 0 342.420 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CCOc1ccc2nc(NC(=O)c3nn(C)cc3Cl)sc2c1 ZINC000002763003 452720832 /nfs/dbraw/zinc/72/08/32/452720832.db2.gz XBJFIKMTAORZRO-UHFFFAOYSA-N 0 0 336.804 3.334 50 0 EGAARN CCn1nc(C)c(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1C ZINC000002780269 452722928 /nfs/dbraw/zinc/72/29/28/452722928.db2.gz NWYGMYGNEKJUOD-UHFFFAOYSA-N 0 0 341.415 3.227 50 0 EGAARN CCn1ncc(CNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1C ZINC000002804080 452726481 /nfs/dbraw/zinc/72/64/81/452726481.db2.gz ZKXQNBYVWBYQIW-AWEZNQCLSA-N 0 0 344.459 3.280 50 0 EGAARN COC(=O)CSc1nccc(-c2cccc(OC(F)F)c2)n1 ZINC000002809210 452727422 /nfs/dbraw/zinc/72/74/22/452727422.db2.gz VLLJICBDUPSALX-UHFFFAOYSA-N 0 0 326.324 3.010 50 0 EGAARN O=C(CCS(=O)(=O)c1ccc2ccccc2c1)NC1CCCC1 ZINC000002809714 452728349 /nfs/dbraw/zinc/72/83/49/452728349.db2.gz ASBRNHYCVSABKC-UHFFFAOYSA-N 0 0 331.437 3.062 50 0 EGAARN CCOc1cc(C(=S)N2CCCC2)cc(Br)c1O ZINC000002855862 452729911 /nfs/dbraw/zinc/72/99/11/452729911.db2.gz UUKJDBGNPZFLTR-UHFFFAOYSA-N 0 0 330.247 3.325 50 0 EGAARN COc1cccc(-c2noc(CCC(=O)NC3CCCCC3)n2)c1 ZINC000002877248 452731604 /nfs/dbraw/zinc/73/16/04/452731604.db2.gz CYMKMSLFENWBQZ-UHFFFAOYSA-N 0 0 329.400 3.127 50 0 EGAARN CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1F ZINC000003238980 452751908 /nfs/dbraw/zinc/75/19/08/452751908.db2.gz SHNJWHIGRXRKGA-UHFFFAOYSA-N 0 0 335.306 3.159 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C ZINC000003488047 452771008 /nfs/dbraw/zinc/77/10/08/452771008.db2.gz LHAQQTBEAXKOTE-UHFFFAOYSA-N 0 0 333.771 3.453 50 0 EGAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000003612403 452783650 /nfs/dbraw/zinc/78/36/50/452783650.db2.gz YHYKMZSJMVCXNQ-UHFFFAOYSA-N 0 0 342.395 3.303 50 0 EGAARN O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1nc2ccccc2s1 ZINC000003594578 452784207 /nfs/dbraw/zinc/78/42/07/452784207.db2.gz MGNJKEDLYWYVND-LJQANCHMSA-N 0 0 349.415 3.190 50 0 EGAARN Cc1occc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003671240 452786467 /nfs/dbraw/zinc/78/64/67/452786467.db2.gz GFJAETMPDMWTET-UHFFFAOYSA-N 0 0 343.257 3.282 50 0 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326.396 3.467 50 0 EGAARN CC[C@H](C)c1ccc(NC(=O)C2CCN(C(=O)COC)CC2)cc1 ZINC000059748793 454262750 /nfs/dbraw/zinc/26/27/50/454262750.db2.gz IPQUHSMMHBLKAZ-AWEZNQCLSA-N 0 0 332.444 3.024 50 0 EGAARN O=C(NCc1ccc(-n2cccn2)cc1)c1cc(-c2ccccc2)on1 ZINC000046699838 454274678 /nfs/dbraw/zinc/27/46/78/454274678.db2.gz AWHQYGNDIJJYKB-UHFFFAOYSA-N 0 0 344.374 3.457 50 0 EGAARN COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(C)cc3)n2)cc1 ZINC000078579253 454279707 /nfs/dbraw/zinc/27/97/07/454279707.db2.gz UDVYEDSLSSJAIV-KPKJPENVSA-N 0 0 349.390 3.383 50 0 EGAARN Cn1cc([C@@H](O)CNC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000096096425 454281065 /nfs/dbraw/zinc/28/10/65/454281065.db2.gz PADFHDCFUPXADZ-ZDUSSCGKSA-N 0 0 334.828 3.357 50 0 EGAARN CO[C@H](CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccsc1 ZINC000096097434 454281076 /nfs/dbraw/zinc/28/10/76/454281076.db2.gz GSVCGTFSQBSUFP-OAHLLOKOSA-N 0 0 339.482 3.339 50 0 EGAARN O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(Cl)s1 ZINC000096098866 454282412 /nfs/dbraw/zinc/28/24/12/454282412.db2.gz 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/nfs/dbraw/zinc/28/93/62/454289362.db2.gz YAVYJGLZMCELKI-UHFFFAOYSA-N 0 0 336.395 3.278 50 0 EGAARN CCOc1ccc(NC(=O)NC[C@H]2CCCO2)cc1-n1cccc1 ZINC000096130420 454289651 /nfs/dbraw/zinc/28/96/51/454289651.db2.gz GRHJUAVXMOQHCE-OAHLLOKOSA-N 0 0 329.400 3.177 50 0 EGAARN CCc1cc(Cl)ccc1NC(=O)N1CCC[C@@](CC)(C(N)=O)C1 ZINC000096136551 454290577 /nfs/dbraw/zinc/29/05/77/454290577.db2.gz HWYUKMVNMBLDMU-QGZVFWFLSA-N 0 0 337.851 3.412 50 0 EGAARN Cn1nc(C(F)(F)F)c2cc(-c3nc([C@H]4CCOC4)no3)sc21 ZINC000096132740 454291074 /nfs/dbraw/zinc/29/10/74/454291074.db2.gz XGOGJTYMXCWYLY-LURJTMIESA-N 0 0 344.318 3.208 50 0 EGAARN Cn1cc(CCc2nc(C3CCCC3)nn2CC(F)(F)F)cn1 ZINC000096136334 454291082 /nfs/dbraw/zinc/29/10/82/454291082.db2.gz NMWXYNUZAVNZJB-UHFFFAOYSA-N 0 0 327.354 3.017 50 0 EGAARN CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1[C@H]1CCCCO1 ZINC000096131978 454291167 /nfs/dbraw/zinc/29/11/67/454291167.db2.gz AXMAJHVFNFZOAA-OAHLLOKOSA-N 0 0 328.416 3.086 50 0 EGAARN Cc1ccc(NC(=O)N2CCCCCCC2)cc1NC(=O)CN(C)C ZINC000096139587 454291362 /nfs/dbraw/zinc/29/13/62/454291362.db2.gz WGGSVECCOBAEBT-UHFFFAOYSA-N 0 0 346.475 3.293 50 0 EGAARN COCc1ccc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)o1 ZINC000096137966 454291868 /nfs/dbraw/zinc/29/18/68/454291868.db2.gz FKVVYKUTFYAKJU-UHFFFAOYSA-N 0 0 337.379 3.015 50 0 EGAARN CN(C)C(=O)CCc1cccc(NC(=O)N2Cc3ccccc3C2)c1 ZINC000096139126 454292277 /nfs/dbraw/zinc/29/22/77/454292277.db2.gz GAGRLAWFLZMMNA-UHFFFAOYSA-N 0 0 337.423 3.255 50 0 EGAARN CN(c1ncccc1-c1nc([C@@H]2CCOC2)no1)C1CCCCC1 ZINC000096141622 454292799 /nfs/dbraw/zinc/29/27/99/454292799.db2.gz YVIRHRHCSGUHHW-CYBMUJFWSA-N 0 0 328.416 3.404 50 0 EGAARN Nc1nc(CCC(=O)N2CCC3(C=Cc4ccccc43)CC2)cs1 ZINC000096147790 454293355 /nfs/dbraw/zinc/29/33/55/454293355.db2.gz UXAUIPOOIMFTTK-UHFFFAOYSA-N 0 0 339.464 3.245 50 0 EGAARN O=C(NCCCSCc1ccccc1F)c1n[nH]c2c1CCCC2 ZINC000096149196 454293385 /nfs/dbraw/zinc/29/33/85/454293385.db2.gz DMVQELQHDSBSRL-UHFFFAOYSA-N 0 0 347.459 3.481 50 0 EGAARN Cc1cc2nc(C(C)C)cc(N3CCN(Cc4ccco4)CC3)n2n1 ZINC000072430408 454296089 /nfs/dbraw/zinc/29/60/89/454296089.db2.gz UQKKYFGVBNTNQA-UHFFFAOYSA-N 0 0 339.443 3.076 50 0 EGAARN O=C1C[C@@H](c2coc3ccccc3c2=O)c2c3nsnc3ccc2N1 ZINC000096231762 454310548 /nfs/dbraw/zinc/31/05/48/454310548.db2.gz ULGDXGXFZMALSE-JTQLQIEISA-N 0 0 349.371 3.272 50 0 EGAARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1c2[nH]snc-2ccc1=O ZINC000096232478 454310880 /nfs/dbraw/zinc/31/08/80/454310880.db2.gz PDLRJTHYPOBYKW-LBPRGKRZSA-N 0 0 344.392 3.101 50 0 EGAARN COc1ccccc1C1(C(=O)NC[C@@H](OC)c2cccc(F)c2)CC1 ZINC000096388294 454320505 /nfs/dbraw/zinc/32/05/05/454320505.db2.gz XQHZHGLAQOFYEX-GOSISDBHSA-N 0 0 343.398 3.370 50 0 EGAARN CO[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1cccc(F)c1 ZINC000096388088 454320639 /nfs/dbraw/zinc/32/06/39/454320639.db2.gz ULHNQGNFSDQVCH-MRXNPFEDSA-N 0 0 330.315 3.191 50 0 EGAARN O=C(CCSc1ccccc1)NC[C@]1(O)CCc2ccccc2C1 ZINC000090611458 454327478 /nfs/dbraw/zinc/32/74/78/454327478.db2.gz ZVYBTPZZFCBAJC-FQEVSTJZSA-N 0 0 341.476 3.205 50 0 EGAARN O=C(Nc1ccc(F)cc1F)Nc1ccccc1-c1ccc(=O)[nH]n1 ZINC000090614087 454328062 /nfs/dbraw/zinc/32/80/62/454328062.db2.gz PVIYUFBPGVOPCF-UHFFFAOYSA-N 0 0 342.305 3.359 50 0 EGAARN Cn1ccc2c1cccc2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000061719442 454352752 /nfs/dbraw/zinc/35/27/52/454352752.db2.gz UTFPXPJVCJEFHG-MRXNPFEDSA-N 0 0 347.418 3.166 50 0 EGAARN O=C(Cc1ccccc1Cl)Nc1nnc(COc2ccccc2)o1 ZINC000061973986 454364396 /nfs/dbraw/zinc/36/43/96/454364396.db2.gz XKSWEHBQPXYCRQ-UHFFFAOYSA-N 0 0 343.770 3.483 50 0 EGAARN CCOc1ccccc1NC(=O)Cc1nnc(-c2ccsc2)o1 ZINC000062007284 454365187 /nfs/dbraw/zinc/36/51/87/454365187.db2.gz SERVQEQMDKRWEP-UHFFFAOYSA-N 0 0 329.381 3.378 50 0 EGAARN COc1ccc([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1 ZINC000062145770 454368171 /nfs/dbraw/zinc/36/81/71/454368171.db2.gz YEZQHFSWHZBGRW-QGZVFWFLSA-N 0 0 331.437 3.015 50 0 EGAARN COc1ccc(CCNC(=O)c2ccc(Nc3ncccn3)cc2)cc1 ZINC000079189162 454379372 /nfs/dbraw/zinc/37/93/72/454379372.db2.gz BSTQSXBENIFTRJ-UHFFFAOYSA-N 0 0 348.406 3.201 50 0 biogenic EGAARN Cc1cc([C@@H]2CCCCN2Cc2cnc(N3CCOCC3)s2)no1 ZINC000097076484 454399456 /nfs/dbraw/zinc/39/94/56/454399456.db2.gz QXVUXFYGWUCKNY-INIZCTEOSA-N 0 0 348.472 3.003 50 0 EGAARN CCc1ccc2c(CC(=O)N[C@H]3CCc4nc(C)cn4C3)coc2c1 ZINC000097199164 454422255 /nfs/dbraw/zinc/42/22/55/454422255.db2.gz SJQJTVXWOQWFTC-INIZCTEOSA-N 0 0 337.423 3.174 50 0 EGAARN C[C@@H]1CCc2sc(C(=O)N3CCc4nc(N)sc4C3)cc2C1 ZINC000091304467 454422414 /nfs/dbraw/zinc/42/24/14/454422414.db2.gz BYIDRRISHZZAIJ-SECBINFHSA-N 0 0 333.482 3.110 50 0 EGAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(F)(F)F)[nH]n2)cc1 ZINC000091364437 454429631 /nfs/dbraw/zinc/42/96/31/454429631.db2.gz NHJTZMQOTDCKET-AWEZNQCLSA-N 0 0 339.317 3.252 50 0 EGAARN CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@]2(CCCO2)CC1 ZINC000097370357 454433356 /nfs/dbraw/zinc/43/33/56/454433356.db2.gz LKOCRWFAURFCQV-IBGZPJMESA-N 0 0 333.476 3.277 50 0 EGAARN Cc1cc(C)c(CN2CCO[C@H](c3cccnc3)C2)c(-n2cccn2)c1 ZINC000097394118 454435429 /nfs/dbraw/zinc/43/54/29/454435429.db2.gz NYZMVLVKSDYPIF-NRFANRHFSA-N 0 0 348.450 3.458 50 0 EGAARN Cc1cccnc1CNC(=O)CSc1cn(C)c2ccccc12 ZINC000097436909 454435461 /nfs/dbraw/zinc/43/54/61/454435461.db2.gz ZABNXRAIKTVYTF-UHFFFAOYSA-N 0 0 325.437 3.290 50 0 EGAARN Cc1c(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cnc2ccnn21 ZINC000097578802 454440446 /nfs/dbraw/zinc/44/04/46/454440446.db2.gz FYJQKESOXYBOMY-UHFFFAOYSA-N 0 0 345.406 3.324 50 0 EGAARN Cc1nccn1CC1(CNC(=O)c2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000097604272 454441777 /nfs/dbraw/zinc/44/17/77/454441777.db2.gz IKWRLUQIPFRZIX-UHFFFAOYSA-N 0 0 349.438 3.100 50 0 EGAARN OCc1ccc(C[C@@H]2CCN(c3ncnc4sccc43)C2)cc1 ZINC000091494449 454441843 /nfs/dbraw/zinc/44/18/43/454441843.db2.gz PXCZSWGVQGJPBJ-HNNXBMFYSA-N 0 0 325.437 3.253 50 0 EGAARN Cc1ccc2[nH]c(CCCN3C[C@]4(CCOC4)CCC3=O)nc2c1C ZINC000091487011 454442078 /nfs/dbraw/zinc/44/20/78/454442078.db2.gz PSGIWWVMEKUTTG-HXUWFJFHSA-N 0 0 341.455 3.141 50 0 EGAARN CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000097610020 454442111 /nfs/dbraw/zinc/44/21/11/454442111.db2.gz JULSZQUXXCKCEO-UHFFFAOYSA-N 0 0 349.419 3.149 50 0 EGAARN O=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc2nccnc2c1 ZINC000097679755 454443612 /nfs/dbraw/zinc/44/36/12/454443612.db2.gz BBUSUYUEAAEQIB-CQSZACIVSA-N 0 0 332.285 3.058 50 0 EGAARN c1ccc2ncc(-c3nc([C@@H]4CCOC4)nn3-c3cccnc3)cc2c1 ZINC000097775855 454446409 /nfs/dbraw/zinc/44/64/09/454446409.db2.gz BYFOKACHFIBCHE-OAHLLOKOSA-N 0 0 343.390 3.381 50 0 EGAARN Cn1cnnc1CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000097785324 454446444 /nfs/dbraw/zinc/44/64/44/454446444.db2.gz XGTYBAXBFAAYJA-UHFFFAOYSA-N 0 0 344.434 3.248 50 0 EGAARN O=C(NCCNc1cccnc1)c1ccc2cccc(Cl)c2n1 ZINC000097785064 454446517 /nfs/dbraw/zinc/44/65/17/454446517.db2.gz VVOAUWUBWCIRPT-UHFFFAOYSA-N 0 0 326.787 3.125 50 0 EGAARN O=C(NCCCn1cncn1)c1sc2cccc(F)c2c1Cl ZINC000091594090 454449348 /nfs/dbraw/zinc/44/93/48/454449348.db2.gz HMBIUVPBHDYSNQ-UHFFFAOYSA-N 0 0 338.795 3.105 50 0 EGAARN Cn1ccnc1C1CCN(C(=O)c2ccc(Cn3cccc3)cc2)CC1 ZINC000091621331 454450654 /nfs/dbraw/zinc/45/06/54/454450654.db2.gz LRNLZLRQJCKESC-UHFFFAOYSA-N 0 0 348.450 3.290 50 0 EGAARN COc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000100032799 454463794 /nfs/dbraw/zinc/46/37/94/454463794.db2.gz QVCVVXDQQPUNKU-OAHLLOKOSA-N 0 0 330.771 3.093 50 0 EGAARN COc1ccc(-c2cc[nH]c3nn(-c4ccccc4)c(=O)c2-3)cc1OC ZINC000100136657 454464204 /nfs/dbraw/zinc/46/42/04/454464204.db2.gz HDHWYDUIVFVJOJ-UHFFFAOYSA-N 0 0 347.374 3.398 50 0 EGAARN COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3cccnc3)[nH]n2)cc1 ZINC000091738484 454464636 /nfs/dbraw/zinc/46/46/36/454464636.db2.gz CDSNYLSLBFJOGT-ZDUSSCGKSA-N 0 0 336.395 3.314 50 0 EGAARN C[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)N(C)c1ccccc1 ZINC000091770236 454468543 /nfs/dbraw/zinc/46/85/43/454468543.db2.gz SUKJBFMJHRHRPF-OAHLLOKOSA-N 0 0 334.423 3.331 50 0 EGAARN Brc1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000048759788 454513894 /nfs/dbraw/zinc/51/38/94/454513894.db2.gz URPAKAVQEQIQGI-UHFFFAOYSA-N 0 0 332.245 3.166 50 0 EGAARN COCC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000092078853 454518086 /nfs/dbraw/zinc/51/80/86/454518086.db2.gz LLPSLCYXKDNRCQ-HXUWFJFHSA-N 0 0 345.483 3.136 50 0 EGAARN COc1ccc2c(c1)OC[C@@H](C(=O)NCCSC1CCCCC1)C2 ZINC000092080432 454519429 /nfs/dbraw/zinc/51/94/29/454519429.db2.gz HDHQPZWFKACMOZ-HNNXBMFYSA-N 0 0 349.496 3.428 50 0 EGAARN COc1cc(Cl)cc2c1OCC(=O)N(c1ccc(N(C)C)cc1)C2 ZINC000065184542 454536808 /nfs/dbraw/zinc/53/68/08/454536808.db2.gz XUHAQKVWMABTCW-UHFFFAOYSA-N 0 0 346.814 3.340 50 0 EGAARN Cc1ccc(-c2nnc(CN[C@@H]3CCCc4sc(C)nc43)o2)n1C ZINC000065396704 454558679 /nfs/dbraw/zinc/55/86/79/454558679.db2.gz JAYVHCJSXPAFKE-GFCCVEGCSA-N 0 0 343.456 3.316 50 0 EGAARN Cc1ccc(Cl)cc1-n1c(CCNc2ccccc2)n[nH]c1=O ZINC000065394464 454559048 /nfs/dbraw/zinc/55/90/48/454559048.db2.gz CPRPAXRCOXAOSD-UHFFFAOYSA-N 0 0 328.803 3.177 50 0 EGAARN Cc1cc(NCCc2cnc3ccccn23)nc(-c2cccnc2)n1 ZINC000065428754 454566585 /nfs/dbraw/zinc/56/65/85/454566585.db2.gz XGSBBKFMBKJRQV-UHFFFAOYSA-N 0 0 330.395 3.149 50 0 EGAARN CC(C)Cc1cc(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)[nH]n1 ZINC000065455471 454570254 /nfs/dbraw/zinc/57/02/54/454570254.db2.gz LTBHAQPWUPAOTG-RBUKOAKNSA-N 0 0 331.435 3.098 50 0 EGAARN CC[C@H](C)[C@H](CO)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000080350810 454570478 /nfs/dbraw/zinc/57/04/78/454570478.db2.gz JDXVMQDTMAPKNT-WFASDCNBSA-N 0 0 343.452 3.224 50 0 EGAARN COc1cc(C)c([C@H]2CC(=O)NCc3nc4ccccn4c32)cc1C ZINC000065506256 454579763 /nfs/dbraw/zinc/57/97/63/454579763.db2.gz SMHFDCJCIOLABE-OAHLLOKOSA-N 0 0 335.407 3.112 50 0 EGAARN Cc1cc2cc(C(=O)NCCSCc3[nH]cnc3C)ccc2o1 ZINC000065525908 454584132 /nfs/dbraw/zinc/58/41/32/454584132.db2.gz ZEALOIAOPSSDNS-UHFFFAOYSA-N 0 0 329.425 3.436 50 0 EGAARN CCOc1ccc(C(=O)OCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000051356865 454620412 /nfs/dbraw/zinc/62/04/12/454620412.db2.gz KFQGNLGVMSCANE-UHFFFAOYSA-N 0 0 331.343 3.044 50 0 EGAARN CC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1 ZINC000051357176 454620532 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CCCNC(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020602449 202049795 /nfs/dbraw/zinc/04/97/95/202049795.db2.gz MCQUEXFUWPGSNG-UHFFFAOYSA-N 0 0 340.349 3.162 50 0 EGAARN COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000020602417 202049903 /nfs/dbraw/zinc/04/99/03/202049903.db2.gz OSOBLJPNEFJCND-MRXNPFEDSA-N 0 0 330.771 3.480 50 0 EGAARN COc1cccc(CC[C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)c1 ZINC000020863732 202056289 /nfs/dbraw/zinc/05/62/89/202056289.db2.gz FFKLOTSIFGWNSQ-QGZVFWFLSA-N 0 0 339.439 3.279 50 0 EGAARN CC(C)Oc1cccc(-c2c[nH]c([C@H]3CC(=O)N(C4CC4)C3)n2)c1 ZINC000020994517 202059874 /nfs/dbraw/zinc/05/98/74/202059874.db2.gz WVNKCCYUCNGNEY-AWEZNQCLSA-N 0 0 325.412 3.342 50 0 EGAARN CCN(CC)[C@@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000021486577 202065243 /nfs/dbraw/zinc/06/52/43/202065243.db2.gz OYAHPORANZJTRS-CYBMUJFWSA-N 0 0 337.678 3.383 50 0 EGAARN Cc1ccc(NC(=O)COc2cc(C)nc(N3CCCC3)n2)c(C)c1 ZINC000021360431 202065583 /nfs/dbraw/zinc/06/55/83/202065583.db2.gz 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/nfs/dbraw/zinc/22/64/78/202226478.db2.gz WJUZQKWORJPHPM-UHFFFAOYSA-N 0 0 328.441 3.197 50 0 EGAARN O=C(Cn1ccc2ccc(Cl)cc21)NC[C@H](O)c1ccccc1 ZINC000032095596 202221182 /nfs/dbraw/zinc/22/11/82/202221182.db2.gz LOVOFJFEVPGECL-KRWDZBQOSA-N 0 0 328.799 3.145 50 0 EGAARN O=C(Nc1ccncc1)c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000032726622 202230844 /nfs/dbraw/zinc/23/08/44/202230844.db2.gz XONGYYPSIAGPRB-UHFFFAOYSA-N 0 0 347.353 3.449 50 0 EGAARN CCOC(=O)C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000298202584 202262896 /nfs/dbraw/zinc/26/28/96/202262896.db2.gz GWHPCUMHBVGRRK-UHFFFAOYSA-N 0 0 344.238 3.338 50 0 EGAARN O=C(Nc1ccncc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000032726540 212829952 /nfs/dbraw/zinc/82/99/52/212829952.db2.gz KVNARURGDXNDAR-UHFFFAOYSA-N 0 0 347.353 3.449 50 0 EGAARN CCCCCNC(=O)c1nnn(-c2ccccc2)c1-c1ccncc1 ZINC000035527492 202305424 /nfs/dbraw/zinc/30/54/24/202305424.db2.gz LNINYUBCSONRRG-UHFFFAOYSA-N 0 0 335.411 3.249 50 0 EGAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2C ZINC000035529189 202306447 /nfs/dbraw/zinc/30/64/47/202306447.db2.gz GHTTZNBDXVCXBK-UHFFFAOYSA-N 0 0 342.449 3.243 50 0 EGAARN Cn1nc(-c2ccccc2Cl)cc1C(=O)NCc1cccnc1 ZINC000035276499 202293618 /nfs/dbraw/zinc/29/36/18/202293618.db2.gz CSVRGLWNOFVAIR-UHFFFAOYSA-N 0 0 326.787 3.066 50 0 EGAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000036619693 202327309 /nfs/dbraw/zinc/32/73/09/202327309.db2.gz FSKDBVAWROJLPH-QGZVFWFLSA-N 0 0 335.400 3.360 50 0 EGAARN O=S(=O)(NCc1cccc(F)c1)c1cccc(Br)c1 ZINC000037404188 202340007 /nfs/dbraw/zinc/34/00/07/202340007.db2.gz BQHGHLVCHMMJFF-UHFFFAOYSA-N 0 0 344.205 3.067 50 0 EGAARN C[C@H](Cc1ccco1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000075166754 202377758 /nfs/dbraw/zinc/37/77/58/202377758.db2.gz XSPPATKJSQQRQL-LLVKDONJSA-N 0 0 347.358 3.349 50 0 EGAARN COC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000000148204 291239379 /nfs/dbraw/zinc/23/93/79/291239379.db2.gz JEFGNIQMFSYGPS-SECBINFHSA-N 0 0 346.383 3.307 50 0 EGAARN O=C(NCc1ccc(Cl)cc1)c1ccc(OC[C@@H]2CCCO2)nc1 ZINC000239612032 201151854 /nfs/dbraw/zinc/15/18/54/201151854.db2.gz FHYRMMFIYOBBBS-INIZCTEOSA-N 0 0 346.814 3.223 50 0 EGAARN Fc1cccc(-n2ccc(CN3CCO[C@H](c4nccs4)C3)n2)c1 ZINC000065594961 201156071 /nfs/dbraw/zinc/15/60/71/201156071.db2.gz VNSSKHSASSSDCK-INIZCTEOSA-N 0 0 344.415 3.041 50 0 EGAARN C[C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)CCCC4)C[C@@H](C)O1 ZINC000020437009 201371140 /nfs/dbraw/zinc/37/11/40/201371140.db2.gz AMGBGHBXOUJYSW-ZIAGYGMSSA-N 0 0 327.424 3.281 50 0 EGAARN COc1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)c(OC)c1 ZINC000004331318 201360790 /nfs/dbraw/zinc/36/07/90/201360790.db2.gz PSBCZSCWTJUJQU-KRWDZBQOSA-N 0 0 345.351 3.002 50 0 biogenic EGAARN O=C(/C=C/c1ccccc1Cl)N[C@H]1CCN(c2ccccn2)C1 ZINC000153101463 201392725 /nfs/dbraw/zinc/39/27/25/201392725.db2.gz PINXNZFOQBORGH-HVHJFMEUSA-N 0 0 327.815 3.143 50 0 EGAARN O=C1C[C@@H](c2noc(-c3ccncc3)n2)CN1[C@@H]1CCc2ccccc21 ZINC000044430115 202521828 /nfs/dbraw/zinc/52/18/28/202521828.db2.gz HQBUVTJLRLELSW-NVXWUHKLSA-N 0 0 346.390 3.135 50 0 EGAARN COCCN(Cc1cnn(C)c1)C(=O)c1cccc(Cl)c1Cl ZINC000055036002 202676650 /nfs/dbraw/zinc/67/66/50/202676650.db2.gz UNFDVGLVMCNWGZ-UHFFFAOYSA-N 0 0 342.226 3.016 50 0 EGAARN O=C(c1ccc2ncsc2c1)N(C/C=C/c1ccccc1)CCO ZINC000055074018 202678258 /nfs/dbraw/zinc/67/82/58/202678258.db2.gz FZEFFIIMTKZZOL-QPJJXVBHSA-N 0 0 338.432 3.444 50 0 EGAARN CCOC(=O)[C@@H]1CCCCN1Cc1ccc(Br)s1 ZINC000055542850 202693840 /nfs/dbraw/zinc/69/38/40/202693840.db2.gz WKKPSMJVCOKTBR-NSHDSACASA-N 0 0 332.263 3.428 50 0 EGAARN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc(=O)c2ccccc2o1 ZINC000058228002 202745564 /nfs/dbraw/zinc/74/55/64/202745564.db2.gz BNVCYNYBCGGRCQ-UHFFFAOYSA-N 0 0 345.358 3.113 50 0 EGAARN C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000023182582 212358553 /nfs/dbraw/zinc/35/85/53/212358553.db2.gz MBGSMOUVBQVGNH-PBHICJAKSA-N 0 0 345.468 3.332 50 0 EGAARN O=S(=O)(NCCOc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000023143464 212354564 /nfs/dbraw/zinc/35/45/64/212354564.db2.gz NNYHYPCMDPGJMI-UHFFFAOYSA-N 0 0 345.395 3.336 50 0 EGAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000000045021 201426746 /nfs/dbraw/zinc/42/67/46/201426746.db2.gz AEMKJIDAZWYIEH-OAHLLOKOSA-N 0 0 338.407 3.385 50 0 EGAARN COc1ccc(C(=O)NCCCc2ccc(N(C)C)cc2)cc1OC ZINC000023001829 212341553 /nfs/dbraw/zinc/34/15/53/212341553.db2.gz GKMIZFLPPNZXGH-UHFFFAOYSA-N 0 0 342.439 3.132 50 0 EGAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000022507144 212302516 /nfs/dbraw/zinc/30/25/16/212302516.db2.gz OPSDNEMOUPQSQE-UHFFFAOYSA-N 0 0 325.368 3.248 50 0 EGAARN Cc1nnc(SCC(=O)Nc2ccc(O)cc2)c2ccccc12 ZINC000000084723 201431890 /nfs/dbraw/zinc/43/18/90/201431890.db2.gz NQTBLYOBRQWZLW-UHFFFAOYSA-N 0 0 325.393 3.375 50 0 EGAARN Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1Sc1nccn1C ZINC000000123586 201438255 /nfs/dbraw/zinc/43/82/55/201438255.db2.gz NRFBCIKIDCDANK-UHFFFAOYSA-N 0 0 326.425 3.382 50 0 EGAARN COC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 ZINC000000139505 201439725 /nfs/dbraw/zinc/43/97/25/201439725.db2.gz GTECMPMAMKAGNK-UHFFFAOYSA-N 0 0 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201689750 /nfs/dbraw/zinc/68/97/50/201689750.db2.gz IJJJSXKYIBNCKO-UHFFFAOYSA-N 0 0 327.771 3.363 50 0 EGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000006201464 201675136 /nfs/dbraw/zinc/67/51/36/201675136.db2.gz NDLPIVRSBPVHMK-HUUCEWRRSA-N 0 0 331.437 3.152 50 0 EGAARN Cc1nccn1-c1ccc(CNc2cc([C@H]3C[C@@H](O)C3)nc(C)n2)cc1 ZINC000244678684 243056567 /nfs/dbraw/zinc/05/65/67/243056567.db2.gz IIHIXTRBBILTKW-MAEOIBBWSA-N 0 0 349.438 3.130 50 0 EGAARN O=C(NCCCc1nc2ccccc2s1)c1n[nH]c2c1CCCC2 ZINC000244816982 243084705 /nfs/dbraw/zinc/08/47/05/243084705.db2.gz SSFLKSODYFDJLY-UHFFFAOYSA-N 0 0 340.452 3.261 50 0 EGAARN O=C(c1[nH]nc2c1COCC2)N1CCCC[C@@H]1CCc1cccs1 ZINC000244811567 243086198 /nfs/dbraw/zinc/08/61/98/243086198.db2.gz SGYJWXXINCZMDY-CYBMUJFWSA-N 0 0 345.468 3.171 50 0 EGAARN O=C(N[C@H]1COC2(C1)CCCCC2)c1ccc(-n2ccnc2)cc1 ZINC000244828599 243089570 /nfs/dbraw/zinc/08/95/70/243089570.db2.gz TZDJNOIRYWMPEY-MRXNPFEDSA-N 0 0 325.412 3.094 50 0 EGAARN Cn1ccnc1C(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000244882834 243097502 /nfs/dbraw/zinc/09/75/02/243097502.db2.gz YAAQGUWBRIMYER-FQEVSTJZSA-N 0 0 341.455 3.067 50 0 EGAARN CSc1nccc(N2CCN(C/C(C)=C/c3ccco3)CC2)n1 ZINC000065395683 202842502 /nfs/dbraw/zinc/84/25/02/202842502.db2.gz RDAAAHPXXDEELS-WYMLVPIESA-N 0 0 330.457 3.017 50 0 EGAARN CCCOc1ccccc1[C@H]1CC(=O)NCc2nc3sccn3c21 ZINC000065406334 202844618 /nfs/dbraw/zinc/84/46/18/202844618.db2.gz GZZAJKSJMJWOJA-CYBMUJFWSA-N 0 0 341.436 3.336 50 0 EGAARN Cc1cc(C(F)(F)F)nc(Cn2cc(CCc3ccccc3)nn2)n1 ZINC000067691019 202925885 /nfs/dbraw/zinc/92/58/85/202925885.db2.gz GVWFUQGOOHXIJY-UHFFFAOYSA-N 0 0 347.344 3.229 50 0 EGAARN CC(C)CC(=O)C(=O)NCc1cccnc1Oc1ccccc1F ZINC000067723487 202929684 /nfs/dbraw/zinc/92/96/84/202929684.db2.gz XZQIFGHMUPPCNQ-UHFFFAOYSA-N 0 0 330.359 3.244 50 0 EGAARN O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1ccoc1 ZINC000090504253 202981709 /nfs/dbraw/zinc/98/17/09/202981709.db2.gz WCFZYRHUOIXLMM-UHFFFAOYSA-N 0 0 337.379 3.035 50 0 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452715005 /nfs/dbraw/zinc/71/50/05/452715005.db2.gz RALXHWDGGVSJGS-UHFFFAOYSA-N 0 0 346.500 3.351 50 0 EGAARN COc1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000002713212 452717085 /nfs/dbraw/zinc/71/70/85/452717085.db2.gz REOZNDPRDJWEKM-UHFFFAOYSA-N 0 0 342.786 3.490 50 0 EGAARN CCn1ccc([C@@H](C)NC(=O)c2cc(Br)cs2)n1 ZINC000002732168 452717120 /nfs/dbraw/zinc/71/71/20/452717120.db2.gz ROZBHLLHMNBKPP-MRVPVSSYSA-N 0 0 328.235 3.218 50 0 EGAARN COCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000002774442 452722778 /nfs/dbraw/zinc/72/27/78/452722778.db2.gz XAKRALXLSWCGER-UHFFFAOYSA-N 0 0 336.391 3.287 50 0 EGAARN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccs1 ZINC000002791296 452723688 /nfs/dbraw/zinc/72/36/88/452723688.db2.gz NOCQHFRGBOHXAD-UHFFFAOYSA-N 0 0 347.465 3.029 50 0 EGAARN CCn1nc(C)c(NC(=O)c2ccc(OC(F)F)c(OC)c2)c1C ZINC000002796783 452726016 /nfs/dbraw/zinc/72/60/16/452726016.db2.gz ACIODFZECTUGMQ-UHFFFAOYSA-N 0 0 339.342 3.382 50 0 EGAARN FC(F)n1nccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 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CCC[C@@H](C)NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000008884227 453237069 /nfs/dbraw/zinc/23/70/69/453237069.db2.gz JKGWQQYHPFMGDN-SECBINFHSA-N 0 0 330.222 3.385 50 0 EGAARN COC(=O)c1cnc2nc(SCc3ccccc3Cl)nn2c1C ZINC000008990294 453239494 /nfs/dbraw/zinc/23/94/94/453239494.db2.gz CLQRLWHGEXPUHT-UHFFFAOYSA-N 0 0 348.815 3.165 50 0 EGAARN CCC(=O)N1CCc2ccc(NC(=O)c3ccccc3F)cc2C1 ZINC000009035322 453239978 /nfs/dbraw/zinc/23/99/78/453239978.db2.gz ZMQMZQOBASGTNJ-UHFFFAOYSA-N 0 0 326.371 3.373 50 0 EGAARN Cc1ccc(N2C[C@@H](CNC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000008985400 453240391 /nfs/dbraw/zinc/24/03/91/453240391.db2.gz BMYWVGQAAQLZSI-QGZVFWFLSA-N 0 0 336.435 3.395 50 0 EGAARN COCCCNc1nc2sc(-c3ccccc3)cc2c2ncnn21 ZINC000009053980 453240945 /nfs/dbraw/zinc/24/09/45/453240945.db2.gz MKQMETAEBVICHX-UHFFFAOYSA-N 0 0 339.424 3.454 50 0 EGAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1 ZINC000009057319 453242120 /nfs/dbraw/zinc/24/21/20/453242120.db2.gz FYNXMRMMHIZSOV-UHFFFAOYSA-N 0 0 337.404 3.168 50 0 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335.363 3.266 50 0 EGAARN O=C(CCc1nc(-c2ccncc2)no1)Nc1cccc2ncccc21 ZINC000009419426 453252927 /nfs/dbraw/zinc/25/29/27/453252927.db2.gz JJTIDUFWMXGLFU-UHFFFAOYSA-N 0 0 345.362 3.251 50 0 EGAARN Cc1cccc2c(C)cc(S[C@H](C)C(=O)N3CCOCC3)nc12 ZINC000009593780 453256292 /nfs/dbraw/zinc/25/62/92/453256292.db2.gz NYADFWHIAKWIIR-CQSZACIVSA-N 0 0 330.453 3.191 50 0 EGAARN CC(C)C[C@@H](CO)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009575588 453256504 /nfs/dbraw/zinc/25/65/04/453256504.db2.gz RCGRJLHGDAKEDY-AWEZNQCLSA-N 0 0 343.452 3.224 50 0 EGAARN O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(F)cc(F)c1 ZINC000009652342 453256922 /nfs/dbraw/zinc/25/69/22/453256922.db2.gz OBIKUZBJFINRLT-UHFFFAOYSA-N 0 0 325.698 3.414 50 0 EGAARN COc1ccc2c(CC(=O)N[C@@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000009705106 453259248 /nfs/dbraw/zinc/25/92/48/453259248.db2.gz NVNVKOWMKQDQQB-ZDUSSCGKSA-N 0 0 337.375 3.222 50 0 EGAARN COc1ccccc1/N=c1\scc(-c2ccccc2)n1CCO ZINC000010187296 453278977 /nfs/dbraw/zinc/27/89/77/453278977.db2.gz 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Cc1ccc(C2(O)CCN(C(=O)c3cccc(Cl)c3)CC2)nc1 ZINC000067726349 453960547 /nfs/dbraw/zinc/96/05/47/453960547.db2.gz NYKVCPPYLNYQOE-UHFFFAOYSA-N 0 0 330.815 3.167 50 0 EGAARN COC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccccc2C)oc1C ZINC000055099539 453962260 /nfs/dbraw/zinc/96/22/60/453962260.db2.gz NQALWQPFBCPQOJ-KRWDZBQOSA-N 0 0 328.412 3.486 50 0 EGAARN CCCn1ncc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C ZINC000067770080 453964384 /nfs/dbraw/zinc/96/43/84/453964384.db2.gz YGNYFVNKVUZXBL-QGZVFWFLSA-N 0 0 347.846 3.469 50 0 EGAARN CC[C@H](C)n1nccc1NC(=O)CCn1c(=O)oc2ccc(C)cc21 ZINC000055132242 453964605 /nfs/dbraw/zinc/96/46/05/453964605.db2.gz NWXBDTDDRALHQH-ZDUSSCGKSA-N 0 0 342.399 3.099 50 0 EGAARN O=C(CCOc1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC000055144131 453965695 /nfs/dbraw/zinc/96/56/95/453965695.db2.gz LYLZARLJZTULRW-UHFFFAOYSA-N 0 0 335.407 3.000 50 0 EGAARN CCc1nc(CN(C)Cc2cccc(OC)c2O[C@H](C)CC)no1 ZINC000055166626 453967400 /nfs/dbraw/zinc/96/74/00/453967400.db2.gz BKCCYHMYWIEKDG-CYBMUJFWSA-N 0 0 333.432 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KRJRXSQHJHCULI-HNNXBMFYSA-N 0 0 345.443 3.278 50 0 EGAARN Cc1c[nH]c(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)n1 ZINC000067883693 453976888 /nfs/dbraw/zinc/97/68/88/453976888.db2.gz FEBKYBKBWLLRJS-UHFFFAOYSA-N 0 0 344.321 3.114 50 0 EGAARN CN(CCCCN1CCOCC1)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055368612 453978375 /nfs/dbraw/zinc/97/83/75/453978375.db2.gz FYKJOPGQKCZSPK-UHFFFAOYSA-N 0 0 348.531 3.164 50 0 EGAARN CCc1cccc(OCCCN(C)c2ncnc3oc(C)nc32)c1 ZINC000055370687 453979366 /nfs/dbraw/zinc/97/93/66/453979366.db2.gz FMNZDVYTCQMXEB-UHFFFAOYSA-N 0 0 326.400 3.394 50 0 EGAARN CC[C@H](CO)N(Cc1ccco1)C(=O)c1cc(C(C)C)nn1CC ZINC000055401291 453981447 /nfs/dbraw/zinc/98/14/47/453981447.db2.gz GVTZINGNTLKZLL-CQSZACIVSA-N 0 0 333.432 3.033 50 0 EGAARN O=C(c1ccccn1)N1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067947377 453983289 /nfs/dbraw/zinc/98/32/89/453983289.db2.gz ZIZBBYPZGVKPGO-QGZVFWFLSA-N 0 0 346.434 3.415 50 0 EGAARN COCCN(Cc1cccs1)C(=O)[C@H](C)Sc1ccccn1 ZINC000055414808 453983531 /nfs/dbraw/zinc/98/35/31/453983531.db2.gz UIZOELFYBUTUKU-ZDUSSCGKSA-N 0 0 336.482 3.299 50 0 EGAARN c1cn(Cc2ccncc2)c(-c2cnc(NCc3ccccc3)nc2)n1 ZINC000067954434 453983838 /nfs/dbraw/zinc/98/38/38/453983838.db2.gz RYOOUNQPMFYFCH-UHFFFAOYSA-N 0 0 342.406 3.396 50 0 EGAARN CCCC(=O)Nc1ccc(CC(=O)N[C@H](C)Cc2ccncc2)cc1 ZINC000055413469 453983843 /nfs/dbraw/zinc/98/38/43/453983843.db2.gz FMXZRJVVXJZTLN-OAHLLOKOSA-N 0 0 339.439 3.110 50 0 EGAARN COc1ccc(CC(=O)N2CCC[C@H]2c2ccccn2)c(OC)c1 ZINC000055518047 453990884 /nfs/dbraw/zinc/99/08/84/453990884.db2.gz RRPQOKBYAMTERG-KRWDZBQOSA-N 0 0 326.396 3.005 50 0 EGAARN Cc1cc(C)n(-c2nc(CCNC(=O)c3ccccc3C)cs2)n1 ZINC000085473502 454031026 /nfs/dbraw/zinc/03/10/26/454031026.db2.gz SHWUAIDHNTZIRR-UHFFFAOYSA-N 0 0 340.452 3.227 50 0 EGAARN Cc1ccc(NC(=O)Nc2cnc(-n3ccnc3)nc2)c(Cl)c1 ZINC000085555624 454033052 /nfs/dbraw/zinc/03/30/52/454033052.db2.gz FGIYTUHCFJKTSR-UHFFFAOYSA-N 0 0 328.763 3.268 50 0 EGAARN CCOC(=O)CCCCCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000043214407 454048551 /nfs/dbraw/zinc/04/85/51/454048551.db2.gz NVRBBTAVMRCGGC-UHFFFAOYSA-N 0 0 338.400 3.409 50 0 EGAARN CCOC(=O)c1ccccc1C(=O)c1ccc(C2OCCO2)cc1 ZINC000043212626 454048983 /nfs/dbraw/zinc/04/89/83/454048983.db2.gz IGXNOZQDBODOHR-UHFFFAOYSA-N 0 0 326.348 3.140 50 0 EGAARN O=C(NCCc1cn2ccccc2n1)c1c[nH]nc1C1CCCCC1 ZINC000069371798 454100174 /nfs/dbraw/zinc/10/01/74/454100174.db2.gz QORNUZPOYUUTJT-UHFFFAOYSA-N 0 0 337.427 3.078 50 0 EGAARN Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000057355411 454121298 /nfs/dbraw/zinc/12/12/98/454121298.db2.gz DHKQEBFDBRDWQR-UYAOXDASSA-N 0 0 336.435 3.221 50 0 EGAARN COc1ccc(-c2noc(COC(=O)c3cc(F)ccc3F)n2)cc1 ZINC000044836940 454121740 /nfs/dbraw/zinc/12/17/40/454121740.db2.gz PLLIXMLBJCCGKC-UHFFFAOYSA-N 0 0 346.289 3.380 50 0 EGAARN O=C(CCN1CCCCC1=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077556287 454122714 /nfs/dbraw/zinc/12/27/14/454122714.db2.gz TVFWDUHNMYFHKX-KRWDZBQOSA-N 0 0 332.419 3.282 50 0 EGAARN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccccc1 ZINC000044891101 454124582 /nfs/dbraw/zinc/12/45/82/454124582.db2.gz UIWFQWFCTKJFFD-MRXNPFEDSA-N 0 0 343.408 3.215 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000057471991 454131030 /nfs/dbraw/zinc/13/10/30/454131030.db2.gz ZGOUIDDFCUVJAQ-UHFFFAOYSA-N 0 0 327.380 3.416 50 0 EGAARN CCOc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)cc1 ZINC000057472252 454131199 /nfs/dbraw/zinc/13/11/99/454131199.db2.gz TWKQGFUYURIDDG-UHFFFAOYSA-N 0 0 335.306 3.159 50 0 EGAARN Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(-c2ccccc2)n1 ZINC000057526539 454134689 /nfs/dbraw/zinc/13/46/89/454134689.db2.gz WKZMFNGXAQECAG-UHFFFAOYSA-N 0 0 347.418 3.474 50 0 EGAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000058109829 454164165 /nfs/dbraw/zinc/16/41/65/454164165.db2.gz SUZRQISSTAJDOT-UHFFFAOYSA-N 0 0 341.407 3.427 50 0 EGAARN COc1ccc(Cn2c(N)c(C(=O)NC(C)C)sc2=S)cc1 ZINC000094992836 454193924 /nfs/dbraw/zinc/19/39/24/454193924.db2.gz TTYXLNQQYDJDMK-UHFFFAOYSA-N 0 0 337.470 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/nfs/dbraw/zinc/62/20/70/452622070.db2.gz VQTLFXJGFAAOAK-UHFFFAOYSA-N 0 0 346.814 3.438 50 0 EGAARN COc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)C(C)C ZINC000000556316 452622199 /nfs/dbraw/zinc/62/21/99/452622199.db2.gz OXHNBWIWBFTRDQ-UHFFFAOYSA-N 0 0 326.396 3.471 50 0 EGAARN CCN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 ZINC000000557428 452622533 /nfs/dbraw/zinc/62/25/33/452622533.db2.gz ALGFHGCJNGAOGX-UHFFFAOYSA-N 0 0 333.819 3.327 50 0 EGAARN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000000571554 452625852 /nfs/dbraw/zinc/62/58/52/452625852.db2.gz JEYKFXOJEJYCCI-UHFFFAOYSA-N 0 0 340.404 3.464 50 0 EGAARN COc1ccc(C)c(Cn2c3ccccc3nc2-c2nonc2N)c1 ZINC000000611272 452630543 /nfs/dbraw/zinc/63/05/43/452630543.db2.gz LGWVROJHLSSHKM-UHFFFAOYSA-N 0 0 335.367 3.034 50 0 EGAARN COC(=O)c1cccc(NC(=O)COc2ccc(C)c(C)c2)c1C ZINC000000614139 452631824 /nfs/dbraw/zinc/63/18/24/452631824.db2.gz GIQNRBVADBTKND-UHFFFAOYSA-N 0 0 327.380 3.416 50 0 EGAARN CCCC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c(F)c1 ZINC000000617976 452632554 /nfs/dbraw/zinc/63/25/54/452632554.db2.gz XVUYENGGTBNCPQ-UHFFFAOYSA-N 0 0 344.386 3.364 50 0 EGAARN COC(=O)Cc1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000000618706 452633441 /nfs/dbraw/zinc/63/34/41/452633441.db2.gz ICBJFJODCZUSMK-UHFFFAOYSA-N 0 0 329.421 3.441 50 0 EGAARN COc1ccc(C(=O)n2c(SC)nc3ccccc32)cc1OC ZINC000000620649 452633530 /nfs/dbraw/zinc/63/35/30/452633530.db2.gz MSFBUYKNJPZORW-UHFFFAOYSA-N 0 0 328.393 3.464 50 0 EGAARN COc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC ZINC000000816275 452637407 /nfs/dbraw/zinc/63/74/07/452637407.db2.gz NWTBCHVEAFGJBY-LBPRGKRZSA-N 0 0 343.379 3.195 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccccc1 ZINC000000991602 452640993 /nfs/dbraw/zinc/64/09/93/452640993.db2.gz JSQQPPIJDHTZAX-UKRRQHHQSA-N 0 0 344.436 3.288 50 0 EGAARN CCc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000001005988 452641025 /nfs/dbraw/zinc/64/10/25/452641025.db2.gz YFZIOSXVYZNMBE-NTEUORMPSA-N 0 0 333.409 3.237 50 0 EGAARN CCc1cc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cs1 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Cc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2ccccc2)s1 ZINC000001397209 452659883 /nfs/dbraw/zinc/65/98/83/452659883.db2.gz SPXHZKMEELELFR-UHFFFAOYSA-N 0 0 329.303 3.432 50 0 EGAARN CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cccnc1 ZINC000001400684 452660229 /nfs/dbraw/zinc/66/02/29/452660229.db2.gz GONSJFMPMKXCCY-UHFFFAOYSA-N 0 0 346.312 3.313 50 0 EGAARN CCOC(=O)c1cnn2c1nc(C)c(Cc1cccc(F)c1)c2C ZINC000001394708 452660333 /nfs/dbraw/zinc/66/03/33/452660333.db2.gz BFAZSZYVGKGJDX-UHFFFAOYSA-N 0 0 327.359 3.253 50 0 EGAARN O=S(=O)(c1ccc(Br)cc1)n1ccc2cccnc21 ZINC000001406802 452661946 /nfs/dbraw/zinc/66/19/46/452661946.db2.gz YYSITIVBKPCOSW-UHFFFAOYSA-N 0 0 337.198 3.036 50 0 EGAARN CSc1nc2c(cnn2-c2ccc(C)cc2)c(N2CCCC2)n1 ZINC000001403676 452662528 /nfs/dbraw/zinc/66/25/28/452662528.db2.gz HCDWCYBILZXKDD-UHFFFAOYSA-N 0 0 325.441 3.446 50 0 EGAARN O=C(Cn1c(=O)sc2ccccc21)Nc1cnc2ccccc2c1 ZINC000001430393 452665265 /nfs/dbraw/zinc/66/52/65/452665265.db2.gz DYCYFBLJTUOTJB-UHFFFAOYSA-N 0 0 335.388 3.250 50 0 EGAARN O=C1[C@@H]2CCCN2C(=O)N1CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000001442502 452666105 /nfs/dbraw/zinc/66/61/05/452666105.db2.gz VOGSOKPLKWYFAI-SFHVURJKSA-N 0 0 333.391 3.054 50 0 EGAARN O=C(Nc1ccccc1)/C(=C/c1cccnc1)NC(=O)c1ccco1 ZINC000001777907 452679375 /nfs/dbraw/zinc/67/93/75/452679375.db2.gz WWDNPAKFOGWIOL-VBKFSLOCSA-N 0 0 333.347 3.084 50 0 EGAARN CCCCOc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000002183038 452688652 /nfs/dbraw/zinc/68/86/52/452688652.db2.gz WWPUTXUFPZTXRL-KRWDZBQOSA-N 0 0 341.407 3.435 50 0 EGAARN COc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2C ZINC000002237400 452689967 /nfs/dbraw/zinc/68/99/67/452689967.db2.gz BAOCOIIRWDPSOB-UHFFFAOYSA-N 0 0 337.354 3.084 50 0 EGAARN COc1ccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)cc1OC ZINC000002229737 452690203 /nfs/dbraw/zinc/69/02/03/452690203.db2.gz ZSPHHIZVPRVKCT-UHFFFAOYSA-N 0 0 347.806 3.024 50 0 EGAARN Cc1cc(C)nc(-n2ncc3c2C[C@@H](c2ccc(F)cc2)CC3=O)n1 ZINC000002205018 452691159 /nfs/dbraw/zinc/69/11/59/452691159.db2.gz UNMLYQZTRWZZPO-CQSZACIVSA-N 0 0 336.370 3.331 50 0 EGAARN COc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000002336668 452692623 /nfs/dbraw/zinc/69/26/23/452692623.db2.gz UZQBOZJXCOLEGH-UHFFFAOYSA-N 0 0 341.342 3.456 50 0 EGAARN Cc1cc(NC(=O)CSc2ncnc3c4ccccc4oc32)no1 ZINC000002467183 452700573 /nfs/dbraw/zinc/70/05/73/452700573.db2.gz LEIWAVSHEHHHHH-UHFFFAOYSA-N 0 0 340.364 3.403 50 0 EGAARN CC(C)Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1 ZINC000002498120 452702607 /nfs/dbraw/zinc/70/26/07/452702607.db2.gz HDILKTWJINSTPG-UHFFFAOYSA-N 0 0 347.440 3.165 50 0 EGAARN O=C(NC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000002532378 452703666 /nfs/dbraw/zinc/70/36/66/452703666.db2.gz ZVPPBAZRXYEYQQ-UHFFFAOYSA-N 0 0 330.287 3.305 50 0 EGAARN CCOC(=O)C(C=Nc1ccccc1OC(F)(F)F)C(=O)OCC ZINC000002559326 452704465 /nfs/dbraw/zinc/70/44/65/452704465.db2.gz FRVSBCHUUIMIOZ-UHFFFAOYSA-N 0 0 347.289 3.007 50 0 EGAARN Cc1ccc(CN2c3ccc(Br)cc3C(=O)C2=O)cc1 ZINC000002697183 452714416 /nfs/dbraw/zinc/71/44/16/452714416.db2.gz DOMIMEKJJZUOOO-UHFFFAOYSA-N 0 0 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CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O ZINC000004589679 452811290 /nfs/dbraw/zinc/81/12/90/452811290.db2.gz DOXDJPXDHUORJI-RILYUOAZSA-N 0 0 339.800 3.328 50 0 EGAARN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000004706392 452814177 /nfs/dbraw/zinc/81/41/77/452814177.db2.gz FKHBGSQYOFTYCF-UHFFFAOYSA-N 0 0 335.425 3.375 50 0 EGAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CC)C2=O)cc1 ZINC000004724171 452814661 /nfs/dbraw/zinc/81/46/61/452814661.db2.gz USDYSGFOQQQENN-OAQYLSRUSA-N 0 0 337.419 3.466 50 0 EGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000004728272 452815504 /nfs/dbraw/zinc/81/55/04/452815504.db2.gz VJQOCMZFBDZJGU-INIZCTEOSA-N 0 0 349.814 3.311 50 0 EGAARN CCCCC(=O)NC(=S)Nc1c2nsnc2ccc1Cl ZINC000004736795 452815630 /nfs/dbraw/zinc/81/56/30/452815630.db2.gz VPGQQFJLKMAOBY-UHFFFAOYSA-N 0 0 328.850 3.348 50 0 EGAARN O=c1cc(-c2ccccc2)sc2nnc(COc3ccccc3)n21 ZINC000004776096 452816195 /nfs/dbraw/zinc/81/61/95/452816195.db2.gz SZWVWQDCZKBCFV-UHFFFAOYSA-N 0 0 335.388 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337.408 3.381 50 0 EGAARN CN1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2Cl)CC1 ZINC000004865924 452823494 /nfs/dbraw/zinc/82/34/94/452823494.db2.gz NNGKKLOJOSNUTM-UHFFFAOYSA-N 0 0 347.821 3.483 50 0 EGAARN CCn1c(SCC(=O)NC)nnc1-c1ccc(Cl)cc1Cl ZINC000004942031 452827586 /nfs/dbraw/zinc/82/75/86/452827586.db2.gz MSQYWCLMHJSYAK-UHFFFAOYSA-N 0 0 345.255 3.110 50 0 EGAARN CC(C)(C)NC(=O)/C(=C\c1cccs1)NC(=O)c1cccs1 ZINC000004953564 452828147 /nfs/dbraw/zinc/82/81/47/452828147.db2.gz XGGVDJGEURAQPB-ZRDIBKRKSA-N 0 0 334.466 3.495 50 0 EGAARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004988580 452829853 /nfs/dbraw/zinc/82/98/53/452829853.db2.gz AGOKKEWILKSTDI-AWEZNQCLSA-N 0 0 343.379 3.263 50 0 EGAARN O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccccc1Cl ZINC000004986532 452830342 /nfs/dbraw/zinc/83/03/42/452830342.db2.gz NAAPFTRYHQRQLG-UHFFFAOYSA-N 0 0 345.811 3.264 50 0 EGAARN CCCNC(=O)CC12CC3CC(C1)CC(CC(=O)NCCC)(C3)C2 ZINC000004993410 452830498 /nfs/dbraw/zinc/83/04/98/452830498.db2.gz MOWKSQXEPVDVAB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/87/28/14/452872814.db2.gz XEDQXHYZDYAMQC-UHFFFAOYSA-N 0 0 340.379 3.083 50 0 EGAARN O=C(Nc1cccc(-n2cnnn2)c1)c1cc(Cl)ccc1Cl ZINC000005451002 452873333 /nfs/dbraw/zinc/87/33/33/452873333.db2.gz CNFBRHNGMZTACZ-UHFFFAOYSA-N 0 0 334.166 3.221 50 0 EGAARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NC1CCCC1 ZINC000005562878 452884647 /nfs/dbraw/zinc/88/46/47/452884647.db2.gz FLWCWLLGMAQGGR-PBHICJAKSA-N 0 0 330.453 3.094 50 0 EGAARN CC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)CCc2ccco2)cc1 ZINC000005563189 452885184 /nfs/dbraw/zinc/88/51/84/452885184.db2.gz BUUHJMWSTDBLQD-ZDUSSCGKSA-N 0 0 335.425 3.124 50 0 EGAARN COC(=O)c1ccc(CSc2n[nH]c(-c3ccccc3OC)n2)o1 ZINC000005911678 452910640 /nfs/dbraw/zinc/91/06/40/452910640.db2.gz XGBDGRSOGFPVTQ-UHFFFAOYSA-N 0 0 345.380 3.152 50 0 EGAARN O=C(CN1C(=O)COc2ccccc2C1=O)c1ccc2ccccc2c1 ZINC000006670347 452966263 /nfs/dbraw/zinc/96/62/63/452966263.db2.gz OBBHZDOXGFOSCT-UHFFFAOYSA-N 0 0 345.354 3.084 50 0 EGAARN COc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(C)C2)cc1 ZINC000006665154 452966331 /nfs/dbraw/zinc/96/63/31/452966331.db2.gz GQNSLWWDZUZZDY-HNNXBMFYSA-N 0 0 335.407 3.039 50 0 EGAARN Cc1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)c(C)c1 ZINC000006665476 452966771 /nfs/dbraw/zinc/96/67/71/452966771.db2.gz RZGJEHMUEIIQTL-UHFFFAOYSA-N 0 0 336.424 3.448 50 0 EGAARN COc1ccccc1O[C@H](C)C(=O)Nc1nonc1-c1cccs1 ZINC000006670268 452967203 /nfs/dbraw/zinc/96/72/03/452967203.db2.gz VIIKKQUZGLVAAN-SNVBAGLBSA-N 0 0 345.380 3.213 50 0 EGAARN COc1cc(S(=O)(=O)Nc2ccccc2F)c(OC)cc1Cl ZINC000006700688 452970836 /nfs/dbraw/zinc/97/08/36/452970836.db2.gz WKGQDXRYOVIFTH-UHFFFAOYSA-N 0 0 345.779 3.297 50 0 EGAARN CC(C)Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1C ZINC000006700987 452971239 /nfs/dbraw/zinc/97/12/39/452971239.db2.gz VMGTTXJVBKQPNC-UHFFFAOYSA-N 0 0 338.864 3.398 50 0 EGAARN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCCCC1 ZINC000006702144 452971363 /nfs/dbraw/zinc/97/13/63/452971363.db2.gz CSVYXAKSHBKDDP-HNNXBMFYSA-N 0 0 330.428 3.114 50 0 EGAARN CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)n1CC ZINC000006704795 452973412 /nfs/dbraw/zinc/97/34/12/452973412.db2.gz SJBNQJLYDXKNJH-UHFFFAOYSA-N 0 0 342.827 3.384 50 0 EGAARN Cc1cc(OCC(=O)Nc2cccnc2)c2c(C)c(C)c(=O)oc2c1 ZINC000006719179 452976229 /nfs/dbraw/zinc/97/62/29/452976229.db2.gz DJEVVCNDXPSMHD-UHFFFAOYSA-N 0 0 338.363 3.131 50 0 EGAARN O=C(NCc1ccco1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000006747250 452982597 /nfs/dbraw/zinc/98/25/97/452982597.db2.gz KBFATJXVOFRZRC-UHFFFAOYSA-N 0 0 337.257 3.278 50 0 EGAARN CC1=NC(=S)N[C@@H](/C=C/c2ccccc2)C1C(=O)OCC(C)C ZINC000006755154 452983993 /nfs/dbraw/zinc/98/39/93/452983993.db2.gz WJAXPASSYGWGMI-FEAKQIBJSA-N 0 0 330.453 3.019 50 0 EGAARN CCCc1nnc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)s1 ZINC000006811406 452991800 /nfs/dbraw/zinc/99/18/00/452991800.db2.gz RKMGJHJLILFBGW-UHFFFAOYSA-N 0 0 329.381 3.158 50 0 EGAARN COc1ccc(CN(C)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000007214392 453044132 /nfs/dbraw/zinc/04/41/32/453044132.db2.gz RGGQOAHJSIBPHL-UHFFFAOYSA-N 0 0 325.817 3.169 50 0 EGAARN CCSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 ZINC000007264376 453051167 /nfs/dbraw/zinc/05/11/67/453051167.db2.gz ZMMSJANEYVZZRH-UHFFFAOYSA-N 0 0 333.394 3.009 50 0 EGAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000007504812 453081905 /nfs/dbraw/zinc/08/19/05/453081905.db2.gz QTIVECJKKMUPQT-UHFFFAOYSA-N 0 0 330.815 3.107 50 0 EGAARN Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccccn4)no3)CC2=O)c1 ZINC000007615832 453093348 /nfs/dbraw/zinc/09/33/48/453093348.db2.gz LODVIGMYDOQCDI-CQSZACIVSA-N 0 0 334.379 3.269 50 0 EGAARN CCOc1cc(S(=O)(=O)N2CCCCCC2)c(OCC)cc1C ZINC000007616241 453094520 /nfs/dbraw/zinc/09/45/20/453094520.db2.gz HHPIRORJPUXCJN-UHFFFAOYSA-N 0 0 341.473 3.357 50 0 EGAARN CCc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000007751733 453111501 /nfs/dbraw/zinc/11/15/01/453111501.db2.gz XWOFBWUXCVPCPQ-UHFFFAOYSA-N 0 0 336.435 3.414 50 0 EGAARN Cc1ccc(OCC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000007889824 453130092 /nfs/dbraw/zinc/13/00/92/453130092.db2.gz DNEOVZJOPABVBH-UHFFFAOYSA-N 0 0 344.842 3.376 50 0 EGAARN COc1ccc(CCNC(=O)Cc2c[nH]c3ccccc23)cc1OC ZINC000008115511 453162982 /nfs/dbraw/zinc/16/29/82/453162982.db2.gz XFGRVDMHOJQJFS-UHFFFAOYSA-N 0 0 338.407 3.087 50 0 biogenic EGAARN CCN(C(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccccc1C ZINC000008246437 453179586 /nfs/dbraw/zinc/17/95/86/453179586.db2.gz AMOQWYNIAUHRRY-UHFFFAOYSA-N 0 0 340.423 3.493 50 0 EGAARN Cc1ccc(OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000008312138 453189795 /nfs/dbraw/zinc/18/97/95/453189795.db2.gz AOYBRHCDANFCIG-UHFFFAOYSA-N 0 0 340.423 3.088 50 0 EGAARN COc1ccc(-c2noc(COC(=O)c3ccc(F)cc3)n2)cc1 ZINC000008447521 453205262 /nfs/dbraw/zinc/20/52/62/453205262.db2.gz SDYKBFSJEKEZQJ-UHFFFAOYSA-N 0 0 328.299 3.241 50 0 EGAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc2ccccc2c1=O ZINC000008479359 453207531 /nfs/dbraw/zinc/20/75/31/453207531.db2.gz XCFHMQOBYKECTG-INIZCTEOSA-N 0 0 325.343 3.125 50 0 EGAARN CCc1c(C(=O)Nc2cccc(C(C)=O)c2)cnn1-c1ccccn1 ZINC000008715230 453226545 /nfs/dbraw/zinc/22/65/45/453226545.db2.gz YENSJQSVTMHPCM-UHFFFAOYSA-N 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CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnc[nH]3)C1)CCC2 ZINC000215888475 241154368 /nfs/dbraw/zinc/15/43/68/241154368.db2.gz DLILXZTZLWPSME-MRXNPFEDSA-N 0 0 326.444 3.072 50 0 EGAARN C[C@@H](Oc1ccc(C[N@H+](C)CC2CCOCC2)cc1Cl)C(=O)[O-] ZINC000216054590 241159421 /nfs/dbraw/zinc/15/94/21/241159421.db2.gz FGWBWNQBFFGHPL-GFCCVEGCSA-N 0 0 341.835 3.050 50 0 EGAARN CCc1nc(C)sc1C(=O)N[C@@H](c1cccnc1)C(F)(F)F ZINC000216134410 241169059 /nfs/dbraw/zinc/16/90/59/241169059.db2.gz GMZMGGOOHQPJPJ-LBPRGKRZSA-N 0 0 329.347 3.442 50 0 EGAARN CC[C@@H](C)Sc1ncc(CN2CCC(c3ncon3)CC2)cn1 ZINC000216156883 241169615 /nfs/dbraw/zinc/16/96/15/241169615.db2.gz MXKXNESQSTXUKK-GFCCVEGCSA-N 0 0 333.461 3.130 50 0 EGAARN COc1ccccc1N1CCN(Cc2ccncc2Cl)[C@@H](C)C1 ZINC000215366746 241123497 /nfs/dbraw/zinc/12/34/97/241123497.db2.gz BWDMDOUKWWOVLT-AWEZNQCLSA-N 0 0 331.847 3.454 50 0 EGAARN CN(Cc1cnc(N2CCCC2)s1)Cc1noc(C2CCCC2)n1 ZINC000215656471 241137164 /nfs/dbraw/zinc/13/71/64/241137164.db2.gz YSOSERFMKQKFEW-UHFFFAOYSA-N 0 0 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3.107 50 0 EGAARN CC(=O)N[C@H]1CC(C)(C)Cc2nc(N(C)Cc3ccccc3)ncc21 ZINC000012300488 211337107 /nfs/dbraw/zinc/33/71/07/211337107.db2.gz VBRFEENVQSRUCK-KRWDZBQOSA-N 0 0 338.455 3.263 50 0 EGAARN Cc1ccc(Oc2ncccc2CNC(=O)c2ccc(C)nc2)cn1 ZINC000012194327 211316330 /nfs/dbraw/zinc/31/63/30/211316330.db2.gz FVSDOOIDZDXOHC-UHFFFAOYSA-N 0 0 334.379 3.211 50 0 EGAARN CCn1c2ccccc2s/c1=N/C(=O)c1cc(OC)cc(OC)c1 ZINC000012180874 211310699 /nfs/dbraw/zinc/31/06/99/211310699.db2.gz JJDANKOTUWFLDK-VHEBQXMUSA-N 0 0 342.420 3.481 50 0 EGAARN Cc1ccc(CNc2ncnc3sc(C(=O)NC4CC4)c(C)c32)o1 ZINC000012127225 211300574 /nfs/dbraw/zinc/30/05/74/211300574.db2.gz MMUNXWAEWCZWLJ-UHFFFAOYSA-N 0 0 342.424 3.405 50 0 EGAARN Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CCC(F)(F)F ZINC000012072368 211286251 /nfs/dbraw/zinc/28/62/51/211286251.db2.gz DSQDXOGKWWDWTI-SNVBAGLBSA-N 0 0 338.333 3.367 50 0 EGAARN CCN(CC)c1ncccc1CNC(=O)c1nccc2ccccc21 ZINC000012053757 211284651 /nfs/dbraw/zinc/28/46/51/211284651.db2.gz 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CCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccccc2O)N1 ZINC000004903169 210318111 /nfs/dbraw/zinc/31/81/11/210318111.db2.gz LBPIUZRKBGNFFJ-HNNXBMFYSA-N 0 0 344.333 3.425 50 0 EGAARN O=C(COc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000004854982 210301978 /nfs/dbraw/zinc/30/19/78/210301978.db2.gz OLKYESCWPDCWRA-UHFFFAOYSA-N 0 0 343.770 3.085 50 0 EGAARN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccco3)nn12 ZINC000004867168 210307448 /nfs/dbraw/zinc/30/74/48/210307448.db2.gz JUQXVJVQMAJDMP-UHFFFAOYSA-N 0 0 325.353 3.007 50 0 EGAARN CCOC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000004866564 210307273 /nfs/dbraw/zinc/30/72/73/210307273.db2.gz LPJKCBPGKQJRNM-CYBMUJFWSA-N 0 0 348.424 3.295 50 0 EGAARN COCCN(Cc1cnn(C)c1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000097402315 219022067 /nfs/dbraw/zinc/02/20/67/219022067.db2.gz VXRFAIFGQDYXJL-UHFFFAOYSA-N 0 0 336.823 3.062 50 0 EGAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc(C)cs1 ZINC000004815772 210286697 /nfs/dbraw/zinc/28/66/97/210286697.db2.gz JNNDYGMHTXLHQK-UHFFFAOYSA-N 0 0 339.804 3.324 50 0 EGAARN CC(C)Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)on1 ZINC000097514269 219031240 /nfs/dbraw/zinc/03/12/40/219031240.db2.gz IFSUKZUPHNIDEC-OAHLLOKOSA-N 0 0 331.416 3.033 50 0 EGAARN COc1cc(OC)c(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000004750012 210270803 /nfs/dbraw/zinc/27/08/03/210270803.db2.gz JFQMEALJUJPJIS-UHFFFAOYSA-N 0 0 349.770 3.381 50 0 EGAARN Cc1ccc(NC(=O)N2CCCN(C(=O)C3CCC3)CC2)cc1C ZINC000097553402 219035514 /nfs/dbraw/zinc/03/55/14/219035514.db2.gz SRVHTNSJWGOOKJ-UHFFFAOYSA-N 0 0 329.444 3.170 50 0 EGAARN O=c1/c(=C/c2ccccc2Cl)sc2nc(-c3ccccc3)nn12 ZINC000000184712 285192463 /nfs/dbraw/zinc/19/24/63/285192463.db2.gz ZIJPQIBYEPOLDB-UVTDQMKNSA-N 0 0 339.807 3.019 50 0 EGAARN O=c1[nH]c2ccccc2c(=O)n1-c1ccc(OCc2ccccc2)cc1 ZINC000017071820 285199709 /nfs/dbraw/zinc/19/97/09/285199709.db2.gz CZAVFYSEMPNBIP-UHFFFAOYSA-N 0 0 344.370 3.258 50 0 EGAARN Cc1ccc2nc(C(=O)NCc3ccc4c(c3)C[C@H](C)O4)c(F)n2c1 ZINC000426658574 257959969 /nfs/dbraw/zinc/95/99/69/257959969.db2.gz 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CCCc1ncncc1C(=O)N(C)Cc1c(C)nn(C(C)C)c1C ZINC000216009611 258072303 /nfs/dbraw/zinc/07/23/03/258072303.db2.gz ZEVHLDBHLLMIDD-UHFFFAOYSA-N 0 0 329.448 3.096 50 0 EGAARN O=C(Nc1cccnc1Cl)c1ncn(-c2ccc(Cl)cc2)n1 ZINC000252507245 258073233 /nfs/dbraw/zinc/07/32/33/258073233.db2.gz WFLMKPYRLWMPGQ-UHFFFAOYSA-N 0 0 334.166 3.221 50 0 EGAARN CC(=O)c1ccc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000055031683 132193363 /nfs/dbraw/zinc/19/33/63/132193363.db2.gz DRXQSFGVOIKJOZ-UHFFFAOYSA-N 0 0 330.378 3.490 50 0 EGAARN Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)s1 ZINC000036618625 132391624 /nfs/dbraw/zinc/39/16/24/132391624.db2.gz YOKYPNISWLHLQH-UHFFFAOYSA-N 0 0 342.390 3.284 50 0 EGAARN CN(C)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 ZINC000000141921 135645527 /nfs/dbraw/zinc/64/55/27/135645527.db2.gz NWGDPOFKYBSRFM-UHFFFAOYSA-N 0 0 325.481 3.250 50 0 EGAARN Nc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000003884077 135661180 /nfs/dbraw/zinc/66/11/80/135661180.db2.gz CEDMZPJUWJVNSS-UHFFFAOYSA-N 0 0 349.356 3.250 50 0 EGAARN Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1Cl)C(=O)CO2 ZINC000010682167 135688964 /nfs/dbraw/zinc/68/89/64/135688964.db2.gz PCMFFQLFLYUKTK-UHFFFAOYSA-N 0 0 330.771 3.013 50 0 EGAARN c1ccc(OCc2noc(-c3ccc(N4CCCCO4)nc3)n2)cc1 ZINC000012573626 135696657 /nfs/dbraw/zinc/69/66/57/135696657.db2.gz BBEHIALLQPAPLQ-UHFFFAOYSA-N 0 0 338.367 3.242 50 0 EGAARN Cc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2c1 ZINC000014887514 135706035 /nfs/dbraw/zinc/70/60/35/135706035.db2.gz HZRWWJDKPGEDNP-MRXNPFEDSA-N 0 0 338.455 3.085 50 0 EGAARN Cc1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc1 ZINC000100911612 292046871 /nfs/dbraw/zinc/04/68/71/292046871.db2.gz AMDDEWQJUGSYQQ-ISLYRVAYSA-N 0 0 326.377 3.018 50 0 EGAARN COc1cc(F)cc(Br)c1I ZINC000258329609 286226191 /nfs/dbraw/zinc/22/61/91/286226191.db2.gz AUYGCNDZRSODDO-UHFFFAOYSA-N 0 0 330.922 3.201 50 0 EGAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(N)cc1)CC2 ZINC000004838460 286260162 /nfs/dbraw/zinc/26/01/62/286260162.db2.gz TWYURRBCOQLQCR-LBPRGKRZSA-N 0 0 326.396 3.046 50 0 biogenic EGAARN CC1(C)CN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H]1c1ccccc1 ZINC000122066900 152388867 /nfs/dbraw/zinc/38/88/67/152388867.db2.gz BPUMXEUIAGNXTL-KRWDZBQOSA-N 0 0 347.418 3.189 50 0 EGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000000192056 286317635 /nfs/dbraw/zinc/31/76/35/286317635.db2.gz DKIFUZGIHGWZHN-UHFFFAOYSA-N 0 0 337.828 3.490 50 0 EGAARN COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 ZINC000013132241 286379459 /nfs/dbraw/zinc/37/94/59/286379459.db2.gz OGZYNBVAFHRZQU-HZPDHXFCSA-N 0 0 339.374 3.154 50 0 aggregator EGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1CCCc2ccccc21 ZINC000020724532 286431721 /nfs/dbraw/zinc/43/17/21/286431721.db2.gz ZUTDEBWKOMQAMB-SFHVURJKSA-N 0 0 325.364 3.326 50 0 EGAARN CC[C@@H]1CCCCN1C(=O)Cn1c(=O)cc(C)nc1-c1ccccc1 ZINC000057526353 287000721 /nfs/dbraw/zinc/00/07/21/287000721.db2.gz UGVPPWJIUYMSOD-QGZVFWFLSA-N 0 0 339.439 3.010 50 0 EGAARN COc1cccc(F)c1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 ZINC000345714657 164250579 /nfs/dbraw/zinc/25/05/79/164250579.db2.gz CYSVWQFTJVRRKW-UHFFFAOYSA-N 0 0 326.331 3.180 50 0 EGAARN Cc1cccc(-c2c3c(cn2-c2ccccc2)n(C)c(=O)n(C)c3=O)c1 ZINC000000537864 274788727 /nfs/dbraw/zinc/78/87/27/274788727.db2.gz FPFDQUKQPWXBLR-UHFFFAOYSA-N 0 0 345.402 3.003 50 0 EGAARN c1c(-c2nc3c4c5c(sc4ncn3n2)CCCC5)n[nH]c1C1CC1 ZINC000008743411 275062938 /nfs/dbraw/zinc/06/29/38/275062938.db2.gz XRWDVBMRXPWIAL-UHFFFAOYSA-N 0 0 336.424 3.485 50 0 EGAARN O=C(NCCOCC(F)(F)C(F)F)c1cc(F)c(F)cc1Cl ZINC000002874584 452731573 /nfs/dbraw/zinc/73/15/73/452731573.db2.gz MLYQUEQAAMOYEH-UHFFFAOYSA-N 0 0 349.658 3.265 50 0 EGAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C)N1C(=O)c1ccccc1 ZINC000004045042 277108565 /nfs/dbraw/zinc/10/85/65/277108565.db2.gz VZKPMJUPFWRIDG-ACJLOTCBSA-N 0 0 348.402 3.469 50 0 biogenic EGAARN COC(=O)c1ccc(N2CCCCC2)c(I)c1 ZINC000039951824 277159420 /nfs/dbraw/zinc/15/94/20/277159420.db2.gz XIANCJONAAJTGR-UHFFFAOYSA-N 0 0 345.180 3.068 50 0 EGAARN CN1CCc2ncnc(N3CCC(=Cc4cccc(F)c4)CC3)c2C1 ZINC000097212224 277189407 /nfs/dbraw/zinc/18/94/07/277189407.db2.gz MTCVWEUVWLVMKK-UHFFFAOYSA-N 0 0 338.430 3.287 50 0 EGAARN CNc1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O ZINC000000175738 277302298 /nfs/dbraw/zinc/30/22/98/277302298.db2.gz XOAOTXDLRFZSJY-UHFFFAOYSA-N 0 0 330.185 3.394 50 0 EGAARN COc1ccccc1N1C(=O)c2cccc(Br)c2C1=O ZINC000003188551 277468659 /nfs/dbraw/zinc/46/86/59/277468659.db2.gz NGROZWJUVNGQBS-UHFFFAOYSA-N 0 0 332.153 3.258 50 0 EGAARN COc1cccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1O ZINC000000564055 278006363 /nfs/dbraw/zinc/00/63/63/278006363.db2.gz ZJKYMNBOQCAOEE-UHFFFAOYSA-N 0 0 328.393 3.245 50 0 EGAARN COc1cccc2cc(-c3cc(=O)oc4cc(O)ccc43)c(=O)oc21 ZINC000000490661 278043165 /nfs/dbraw/zinc/04/31/65/278043165.db2.gz IPUAAATULMALCY-UHFFFAOYSA-N 0 0 336.299 3.281 50 0 biogenic EGAARN CC1(C)Cc2c(sc3[nH]c(Cc4ccccc4)nc(=O)c23)CO1 ZINC000008738342 278394946 /nfs/dbraw/zinc/39/49/46/278394946.db2.gz RZBXLSQASOXXLR-UHFFFAOYSA-N 0 0 326.421 3.427 50 0 EGAARN Cc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](C)CC2=O ZINC000071376245 278811142 /nfs/dbraw/zinc/81/11/42/278811142.db2.gz NDFCWISQLDLUML-SECBINFHSA-N 0 0 344.798 3.354 50 0 EGAARN Fc1cc2c(I)n[nH]c2cc1Br ZINC000071790125 279459490 /nfs/dbraw/zinc/45/94/90/279459490.db2.gz LLYVGIFTUFARIA-UHFFFAOYSA-N 0 0 340.921 3.069 50 0 EGAARN Nc1c(Cl)ccc(Br)c1I ZINC000097441984 279694438 /nfs/dbraw/zinc/69/44/38/279694438.db2.gz XEMKRAJKRIMFCR-UHFFFAOYSA-N 0 0 332.366 3.289 50 0 EGAARN O=C(N1CCn2c3ccccc3nc21)C1(c2ccccc2)CCOCC1 ZINC000038488776 279811392 /nfs/dbraw/zinc/81/13/92/279811392.db2.gz UCSVPTZUSMOSLL-UHFFFAOYSA-N 0 0 347.418 3.131 50 0 EGAARN O=C1Nc2ccccc2[C@]12CC(=O)Nc1c2cnn1-c1ccccc1 ZINC000020729622 280305199 /nfs/dbraw/zinc/30/51/99/280305199.db2.gz BAVULCQOLOORPC-IBGZPJMESA-N 0 0 330.347 3.102 50 0 EGAARN O=c1oc2c(ccc3c2CN(Cc2ccncc2)CO3)c2c1CCCC2 ZINC000057105434 280396976 /nfs/dbraw/zinc/39/69/76/280396976.db2.gz YFXRNJWATFIEPR-UHFFFAOYSA-N 0 0 348.402 3.419 50 0 EGAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1CC ZINC000000365825 281944989 /nfs/dbraw/zinc/94/49/89/281944989.db2.gz FIYXQAINVQUJPK-ZDUSSCGKSA-N 0 0 330.413 3.132 50 0 EGAARN CCc1nc2ccccc2n1[C@@H](CC)C(=O)N1CCC2(CCO2)CC1 ZINC000095354760 288632799 /nfs/dbraw/zinc/63/27/99/288632799.db2.gz NFZOFOCSVUGSEN-INIZCTEOSA-N 0 0 341.455 3.331 50 0 EGAARN C[C@@]1(O)N(Cc2ccccn2)C(=O)O[C@@]1(C)CCc1ccccc1 ZINC000001444403 289214551 /nfs/dbraw/zinc/21/45/51/289214551.db2.gz OGVXKQUYKKGZQN-OALUTQOASA-N 0 0 326.396 3.134 50 0 EGAARN CN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000020717543 289793927 /nfs/dbraw/zinc/79/39/27/289793927.db2.gz DUSJOGIPUBUOKK-SJLPKXTDSA-N 0 0 326.371 3.374 50 0 EGAARN CN1c2ccccc2[C@]2(NCCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020503083 290322196 /nfs/dbraw/zinc/32/21/96/290322196.db2.gz KIBTXMPRJMGIHU-LJQANCHMSA-N 0 0 337.810 3.187 50 0 biogenic EGAARN COc1ccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C(=O)[O-] ZINC000077301038 295128519 /nfs/dbraw/zinc/12/85/19/295128519.db2.gz 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/nfs/dbraw/zinc/04/32/84/210043284.db2.gz DUYAJXCSOPMTJY-UHFFFAOYSA-N 0 0 329.396 3.423 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000003392447 210026848 /nfs/dbraw/zinc/02/68/48/210026848.db2.gz AUEPCGZIZYBEJA-UHFFFAOYSA-N 0 0 337.734 3.283 50 0 EGAARN COc1ccc(N2CC(=O)C(c3nc(C)cs3)=C2N)cc1OC ZINC000102734685 219226311 /nfs/dbraw/zinc/22/63/11/219226311.db2.gz LQAXBCKUMRBUDQ-UHFFFAOYSA-N 0 0 331.397 3.235 50 0 EGAARN Cc1cc2c(c(C)c1)[C@@H](Cc1nnc(Cc3ccccc3)[nH]1)C(=O)N2 ZINC000102849983 219235913 /nfs/dbraw/zinc/23/59/13/219235913.db2.gz WRABNHRCHXNMIU-OAHLLOKOSA-N 0 0 332.407 3.291 50 0 EGAARN CCN(CC)C(=O)CSc1cc(C)nc(-c2ccc(OC)cc2)n1 ZINC000067257500 215128046 /nfs/dbraw/zinc/12/80/46/215128046.db2.gz CSTQGFXIBIZPKP-UHFFFAOYSA-N 0 0 345.468 3.421 50 0 EGAARN Cc1cc(-n2cc(C(=O)N[C@H](C)c3ccc(F)cc3)nn2)ccc1F ZINC000067262013 215128976 /nfs/dbraw/zinc/12/89/76/215128976.db2.gz FQEYTDDAQCCKGM-GFCCVEGCSA-N 0 0 342.349 3.345 50 0 EGAARN CCOc1ccccc1N1CCN(CC(=O)c2ccc(F)cc2)CC1 ZINC000067206413 215123959 /nfs/dbraw/zinc/12/39/59/215123959.db2.gz NXVDEKBWFWOXQH-UHFFFAOYSA-N 0 0 342.414 3.229 50 0 EGAARN COc1cccc(-c2nsc(C(=O)NCc3ccc(C)o3)c2N)c1 ZINC000067334861 215134596 /nfs/dbraw/zinc/13/45/96/215134596.db2.gz JRIOYLGHVDCICW-UHFFFAOYSA-N 0 0 343.408 3.232 50 0 EGAARN COc1cccc(-c2n[nH]cc2C(=O)N(C)[C@H](C)c2ccncc2)c1 ZINC000067560372 215162605 /nfs/dbraw/zinc/16/26/05/215162605.db2.gz DQNAZACPNVCAQH-CYBMUJFWSA-N 0 0 336.395 3.314 50 0 EGAARN Cc1cccc(O[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 ZINC000003130637 209967755 /nfs/dbraw/zinc/96/77/55/209967755.db2.gz BDLBHRAQMOUUDJ-JTQLQIEISA-N 0 0 325.623 3.341 50 0 EGAARN O=C(c1onc2ccccc21)N1CCC[C@H](OCc2cccnc2)C1 ZINC000067741909 215200753 /nfs/dbraw/zinc/20/07/53/215200753.db2.gz FJKGJADSRYKVCV-HNNXBMFYSA-N 0 0 337.379 3.044 50 0 EGAARN C[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccc(O)c(F)c1 ZINC000067788158 215212160 /nfs/dbraw/zinc/21/21/60/215212160.db2.gz PMCUJXCNMORERF-GFCCVEGCSA-N 0 0 327.359 3.149 50 0 EGAARN Cc1nc[nH]c1C(=O)NCc1cccnc1Oc1c(C)cccc1C ZINC000067785859 215212291 /nfs/dbraw/zinc/21/22/91/215212291.db2.gz BCLXRGHDXWEWTN-UHFFFAOYSA-N 0 0 336.395 3.452 50 0 EGAARN COCc1cc(NCc2cccnc2Oc2ccc(C)nc2)ncn1 ZINC000067790677 215213334 /nfs/dbraw/zinc/21/33/34/215213334.db2.gz VJCULJAXNTVDTE-UHFFFAOYSA-N 0 0 337.383 3.126 50 0 EGAARN Cc1ccc2[nH]c(CN(C)Cc3nc(-c4cccnc4)no3)nc2c1C ZINC000067790135 215214148 /nfs/dbraw/zinc/21/41/48/215214148.db2.gz WKVNVPADPGVCEO-UHFFFAOYSA-N 0 0 348.410 3.257 50 0 EGAARN COc1ccccc1CNc1n[nH]c(NCc2ccccc2OC)n1 ZINC000002884750 209936470 /nfs/dbraw/zinc/93/64/70/209936470.db2.gz YZIYUVZAQCFARF-UHFFFAOYSA-N 0 0 339.399 3.046 50 0 EGAARN C[C@H](C(=O)N(C)C)N(C)Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067872339 215237022 /nfs/dbraw/zinc/23/70/22/215237022.db2.gz SHMAIKOYHFCKRY-OAHLLOKOSA-N 0 0 348.450 3.205 50 0 EGAARN COC(=O)c1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000002848322 209926958 /nfs/dbraw/zinc/92/69/58/209926958.db2.gz UXXKDUXJGRJOFB-UHFFFAOYSA-N 0 0 346.207 3.388 50 0 EGAARN Cc1cnc(C)c(N2CCC[C@](CO)(Cc3ccccc3C)C2)n1 ZINC000067895364 215244166 /nfs/dbraw/zinc/24/41/66/215244166.db2.gz JQMYSQARLLBTFC-FQEVSTJZSA-N 0 0 325.456 3.223 50 0 EGAARN CSc1ccc2cc(CN(C)[C@@H](C)c3ccon3)c(=O)[nH]c2c1 ZINC000067881549 215240406 /nfs/dbraw/zinc/24/04/06/215240406.db2.gz PMHOWGNNWCRUPL-NSHDSACASA-N 0 0 329.425 3.431 50 0 EGAARN CCCCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 ZINC000002828681 209923786 /nfs/dbraw/zinc/92/37/86/209923786.db2.gz NPAHKNWKSJOLSY-UHFFFAOYSA-N 0 0 349.434 3.457 50 0 EGAARN Cc1nc([C@H](Cc2c[nH]cn2)n2cccc2)n(-c2cccc(C)c2)n1 ZINC000067909792 215247881 /nfs/dbraw/zinc/24/78/81/215247881.db2.gz XVJFRBDWVPRONC-SFHVURJKSA-N 0 0 332.411 3.241 50 0 EGAARN CCCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+](C)Cc1ccccc1C)C2 ZINC000067921512 215251097 /nfs/dbraw/zinc/25/10/97/215251097.db2.gz ROJWVZHGXPXCAT-INIZCTEOSA-N 0 0 341.455 3.289 50 0 EGAARN COc1ccc(-n2ccnc2-c2nccn2Cc2ccccn2)cc1 ZINC000067935081 215252853 /nfs/dbraw/zinc/25/28/53/215252853.db2.gz ZUMFBGKLQKJMAJ-UHFFFAOYSA-N 0 0 331.379 3.188 50 0 EGAARN Cc1cnc(C)c(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 ZINC000067946882 215256520 /nfs/dbraw/zinc/25/65/20/215256520.db2.gz DJAJNJZSKKWUTB-UHFFFAOYSA-N 0 0 348.406 3.260 50 0 EGAARN O=C(NCc1cccnc1-n1ccnc1)c1ccc(-c2ccccc2)[nH]1 ZINC000067965402 215261901 /nfs/dbraw/zinc/26/19/01/215261901.db2.gz UFVKOLVXQGFNCW-UHFFFAOYSA-N 0 0 343.390 3.192 50 0 EGAARN COc1ccc(C(=O)NCc2cc(=O)oc3c(C)cc(C)cc23)cc1 ZINC000041098093 213417341 /nfs/dbraw/zinc/41/73/41/213417341.db2.gz WSYKZVRRUVHMMC-UHFFFAOYSA-N 0 0 337.375 3.348 50 0 biogenic EGAARN COc1ccccc1[C@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C ZINC000068810894 215336967 /nfs/dbraw/zinc/33/69/67/215336967.db2.gz UESFWQDUFRAAJM-GOSISDBHSA-N 0 0 341.455 3.342 50 0 EGAARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002150052 209825533 /nfs/dbraw/zinc/82/55/33/209825533.db2.gz IHCJIEZGGWRIDB-ZDUSSCGKSA-N 0 0 347.367 3.002 50 0 biogenic EGAARN Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1ccc(-c2cc[nH]n2)o1 ZINC000067447202 282802610 /nfs/dbraw/zinc/80/26/10/282802610.db2.gz VHAMNNBXZYLAEI-SNVBAGLBSA-N 0 0 339.399 3.175 50 0 EGAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1c(C)cccc1C ZINC000040478671 213313789 /nfs/dbraw/zinc/31/37/89/213313789.db2.gz UQMIMWMBCQJLIQ-UHFFFAOYSA-N 0 0 335.407 3.214 50 0 EGAARN Cc1occc(=O)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040288155 213289750 /nfs/dbraw/zinc/28/97/50/213289750.db2.gz UJDIOFLXAAGVAI-UHFFFAOYSA-N 0 0 328.151 3.273 50 0 EGAARN Cc1cccnc1NC(=O)c1cc(=O)c(OCc2ccccc2)co1 ZINC000040286851 213289441 /nfs/dbraw/zinc/28/94/41/213289441.db2.gz WRVFWHJVGIADFJ-UHFFFAOYSA-N 0 0 336.347 3.175 50 0 EGAARN O=c1[nH]c(CNc2ccc(Cl)cc2)nn1Cc1ccccc1F ZINC000040267782 213285997 /nfs/dbraw/zinc/28/59/97/213285997.db2.gz XJFNIYJIGVEWHP-UHFFFAOYSA-N 0 0 332.766 3.024 50 0 EGAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1 ZINC000040283430 213287694 /nfs/dbraw/zinc/28/76/94/213287694.db2.gz JDKVMOZKOLMXRH-HNNXBMFYSA-N 0 0 348.362 3.178 50 0 EGAARN Cc1nn(C)cc1-c1nn2c(nnc2-c2ccccc2Cl)s1 ZINC000040266437 213284746 /nfs/dbraw/zinc/28/47/46/213284746.db2.gz PQSPRSWUNYIILN-UHFFFAOYSA-N 0 0 330.804 3.215 50 0 EGAARN CCN(CC)C(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000000620230 209683461 /nfs/dbraw/zinc/68/34/61/209683461.db2.gz SYKXHFDNIBNZBI-UHFFFAOYSA-N 0 0 332.473 3.153 50 0 EGAARN O=C(NCc1cccs1)NCC1(c2ccccc2)CCOCC1 ZINC000038592154 213216082 /nfs/dbraw/zinc/21/60/82/213216082.db2.gz IURXJTDDBGIAOW-UHFFFAOYSA-N 0 0 330.453 3.296 50 0 EGAARN CSc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1cccs1 ZINC000038566243 213214971 /nfs/dbraw/zinc/21/49/71/213214971.db2.gz MBVMEYDVGXHZOQ-NSHDSACASA-N 0 0 334.466 3.156 50 0 EGAARN COc1ccc([C@@H]2CCN(C(=O)c3c(C)nc4ccccn43)C2)cc1 ZINC000038566562 213214702 /nfs/dbraw/zinc/21/47/02/213214702.db2.gz GHHRFDZSMKPMJE-MRXNPFEDSA-N 0 0 335.407 3.281 50 0 EGAARN CCOc1ccc(NC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000609884 209674802 /nfs/dbraw/zinc/67/48/02/209674802.db2.gz BVLTTZOUTAYYJS-UHFFFAOYSA-N 0 0 344.411 3.467 50 0 EGAARN Cc1ccc(C(=O)NC(=S)N2CCCCC2)cc1Br ZINC000000587251 209672694 /nfs/dbraw/zinc/67/26/94/209672694.db2.gz DUNNPXMKCXQTAE-UHFFFAOYSA-N 0 0 341.274 3.258 50 0 EGAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ncc(C)s3)n[nH]2)c1 ZINC000038488920 213211204 /nfs/dbraw/zinc/21/12/04/213211204.db2.gz NJVBBQWCJRKEOP-UHFFFAOYSA-N 0 0 344.396 3.111 50 0 EGAARN Cc1c2ccccc2oc(=O)c1C(=O)NCc1c(F)cccc1F ZINC000038490179 213210929 /nfs/dbraw/zinc/21/09/29/213210929.db2.gz DJDZEGPLPKULQX-UHFFFAOYSA-N 0 0 329.302 3.310 50 0 EGAARN COc1cccc(C[C@@H]2COC(=O)[C@H]2Cc2cccc(OC)c2)c1 ZINC000038342562 213207335 /nfs/dbraw/zinc/20/73/35/213207335.db2.gz RLYSAJZJSSKQCM-APWZRJJASA-N 0 0 326.392 3.278 50 0 in-vitro EGAARN COC(=O)Cc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 ZINC000000542309 209656185 /nfs/dbraw/zinc/65/61/85/209656185.db2.gz ZGKTYIQCPROHGV-UHFFFAOYSA-N 0 0 346.427 3.070 50 0 EGAARN CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 ZINC000000532640 209653188 /nfs/dbraw/zinc/65/31/88/209653188.db2.gz WWNLPOUMVHJLMA-UUOWRZLLSA-N 0 0 348.383 3.415 50 0 EGAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000527816 209648845 /nfs/dbraw/zinc/64/88/45/209648845.db2.gz XBCVWKGNLMRWBL-GFCCVEGCSA-N 0 0 344.358 3.061 50 0 EGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000000524514 209646220 /nfs/dbraw/zinc/64/62/20/209646220.db2.gz MRIKEVLHPSWLGY-SNVBAGLBSA-N 0 0 330.211 3.409 50 0 EGAARN COc1cccc(CNC(=S)Nc2cc(OC)cc(OC)c2)c1 ZINC000000477819 209627352 /nfs/dbraw/zinc/62/73/52/209627352.db2.gz OWFLLXCVNXRETR-UHFFFAOYSA-N 0 0 332.425 3.199 50 0 EGAARN CN1c2ccccc2[C@@]2(NCCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020503085 283266768 /nfs/dbraw/zinc/26/67/68/283266768.db2.gz KIBTXMPRJMGIHU-IBGZPJMESA-N 0 0 337.810 3.187 50 0 biogenic EGAARN COc1cccc(OC)c1C(=O)NCCc1c[nH]c2ccc(C)cc12 ZINC000036612241 213102043 /nfs/dbraw/zinc/10/20/43/213102043.db2.gz QGIHLSHKPKKLNC-UHFFFAOYSA-N 0 0 338.407 3.466 50 0 EGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)cc1Cl ZINC000036367277 213091843 /nfs/dbraw/zinc/09/18/43/213091843.db2.gz NTJCYSTZXBFEJT-GFCCVEGCSA-N 0 0 338.835 3.182 50 0 EGAARN CC(C)c1cc(C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)cs1 ZINC000252527697 535369219 /nfs/dbraw/zinc/36/92/19/535369219.db2.gz DEDQEDDCGOQOHD-KBRIMQKVSA-N 0 0 344.480 3.379 50 0 EGAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000000445028 209604444 /nfs/dbraw/zinc/60/44/44/209604444.db2.gz IAADVXKWFITRSN-UHFFFAOYSA-N 0 0 336.363 3.344 50 0 EGAARN Cc1noc2nc(C3CC3)cc(C(=O)NCc3cccc(F)c3)c12 ZINC000035686481 213047686 /nfs/dbraw/zinc/04/76/86/213047686.db2.gz AVSYAFWQHGBVTH-UHFFFAOYSA-N 0 0 325.343 3.478 50 0 EGAARN CCCN1c2ccccc2[C@@](O)([C@H]2CCc3ccccc3C2=O)C1=O ZINC000001066630 283356346 /nfs/dbraw/zinc/35/63/46/283356346.db2.gz OZWTVDJXHBNDFT-LAUBAEHRSA-N 0 0 335.403 3.076 50 0 EGAARN Cn1c(=O)c2sccc2n(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000071327713 215761572 /nfs/dbraw/zinc/76/15/72/215761572.db2.gz WPWFKAONIZOPKC-UHFFFAOYSA-N 0 0 328.437 3.108 50 0 EGAARN CC(C)c1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1 ZINC000034917730 212999741 /nfs/dbraw/zinc/99/97/41/212999741.db2.gz GSTDFVIXKGSZNK-HNNXBMFYSA-N 0 0 326.396 3.072 50 0 EGAARN CC(C)CCC[C@H]1CN(C(=O)c2snnc2C(C)C)CCO1 ZINC000071751532 215809464 /nfs/dbraw/zinc/80/94/64/215809464.db2.gz GQMDKWIMWCYRDT-ZDUSSCGKSA-N 0 0 325.478 3.329 50 0 EGAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2C)c1 ZINC000072115639 216011605 /nfs/dbraw/zinc/01/16/05/216011605.db2.gz HSNWLDOANZYLSZ-AWEZNQCLSA-N 0 0 326.396 3.117 50 0 EGAARN CN(C(=O)NCc1ccco1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072129379 216018917 /nfs/dbraw/zinc/01/89/17/216018917.db2.gz IRQGUQDMNCDIFH-INIZCTEOSA-N 0 0 345.418 3.225 50 0 EGAARN CC(=O)c1c(C)cc(C)c(-c2nccn2[C@H](C)c2nncn2C)c1C ZINC000072129070 216019226 /nfs/dbraw/zinc/01/92/26/216019226.db2.gz LTBPKFIDJCRDBY-CQSZACIVSA-N 0 0 337.427 3.416 50 0 EGAARN CNc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)nn1 ZINC000072129804 216020210 /nfs/dbraw/zinc/02/02/10/216020210.db2.gz WNPMGJXOQOPHLL-UHFFFAOYSA-N 0 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CCc1n[nH]c2c1CN(C(=O)Nc1cc(C)nn1[C@@H](C)CC)CC2 ZINC000299774854 258085293 /nfs/dbraw/zinc/08/52/93/258085293.db2.gz GQSWSUCRUMTRGO-LBPRGKRZSA-N 0 0 330.436 3.038 50 0 EGAARN CCc1n[nH]c2c1CN(C(=O)Nc1cc(C)nn1[C@H](C)CC)CC2 ZINC000299774847 258085649 /nfs/dbraw/zinc/08/56/49/258085649.db2.gz GQSWSUCRUMTRGO-GFCCVEGCSA-N 0 0 330.436 3.038 50 0 EGAARN CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@]3(CCOC3)C2)cc1 ZINC000299777917 258087840 /nfs/dbraw/zinc/08/78/40/258087840.db2.gz LWKVQFSRWKEYMJ-HXUWFJFHSA-N 0 0 331.456 3.033 50 0 EGAARN Cc1nc(NCc2cccc(C)c2)sc1-c1ccn(CCO)n1 ZINC000299781872 258090497 /nfs/dbraw/zinc/09/04/97/258090497.db2.gz VZSIJXVAUOMKHG-UHFFFAOYSA-N 0 0 328.441 3.228 50 0 EGAARN C[C@@H](NC(=O)CSc1ccccc1)c1nncn1C1CCCC1 ZINC000299781829 258090680 /nfs/dbraw/zinc/09/06/80/258090680.db2.gz FBUZNEYSMBNGBN-CYBMUJFWSA-N 0 0 330.457 3.363 50 0 EGAARN Cc1nc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000299784251 258092022 /nfs/dbraw/zinc/09/20/22/258092022.db2.gz GYGZXTHRRAGHSK-LBPRGKRZSA-N 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/nfs/dbraw/zinc/35/90/08/285359008.db2.gz HBJBPBWRDRGTGE-CQSZACIVSA-N 0 0 335.197 3.496 50 0 EGAARN Cc1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cccc(C(C)C)c1 ZINC000051316381 132180545 /nfs/dbraw/zinc/18/05/45/132180545.db2.gz HLLPTUSDASRCJT-UHFFFAOYSA-N 0 0 338.407 3.483 50 0 EGAARN Cc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C ZINC000054225105 132190695 /nfs/dbraw/zinc/19/06/95/132190695.db2.gz ZUTQJBNPILUONC-UHFFFAOYSA-N 0 0 341.430 3.203 50 0 EGAARN Cc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055562745 132196014 /nfs/dbraw/zinc/19/60/14/132196014.db2.gz WDPZPSPWHDHNJI-UHFFFAOYSA-N 0 0 343.858 3.409 50 0 EGAARN Cc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1 ZINC000019327516 292090756 /nfs/dbraw/zinc/09/07/56/292090756.db2.gz SZIYTKGLXUSKHK-UHFFFAOYSA-N 0 0 332.447 3.152 50 0 EGAARN Cc1ccc(NC(=S)NC(=O)c2ccco2)c(Br)c1 ZINC000000130058 292160644 /nfs/dbraw/zinc/16/06/44/292160644.db2.gz QRHDEGHKIMEEKV-UHFFFAOYSA-N 0 0 339.214 3.477 50 0 EGAARN COc1ccc(-n2nnnc2C2(NCc3ccccc3)CCCC2)cc1 ZINC000035622541 286266118 /nfs/dbraw/zinc/26/61/18/286266118.db2.gz KAEJCXMMVSLDJI-UHFFFAOYSA-N 0 0 349.438 3.230 50 0 EGAARN O=C(c1ccsc1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678580 161917402 /nfs/dbraw/zinc/91/74/02/161917402.db2.gz NXKLVGMEULGROK-UHFFFAOYSA-N 0 0 339.420 3.375 50 0 EGAARN Cc1cccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 ZINC000000123543 292568281 /nfs/dbraw/zinc/56/82/81/292568281.db2.gz VVYGHGQXNGPZAX-QGZVFWFLSA-N 0 0 336.391 3.254 50 0 EGAARN O=C(NCCc1cscn1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000159179843 225164046 /nfs/dbraw/zinc/16/40/46/225164046.db2.gz NBAKJPFGRAFUTA-MRXNPFEDSA-N 0 0 347.440 3.065 50 0 EGAARN CC(=O)C(Sc1ncnc2sc3c(c21)CC[C@H](C)C3)=C(C)O ZINC000100271413 262536840 /nfs/dbraw/zinc/53/68/40/262536840.db2.gz GSXMCMQLDAWGGB-QMMMGPOBSA-N 0 0 334.466 3.455 50 0 EGAARN Brc1ccc(-c2nn3c(nnc3-c3ccccn3)s2)o1 ZINC000000531185 275368777 /nfs/dbraw/zinc/36/87/77/275368777.db2.gz JQGFATHZOLQFLA-UHFFFAOYSA-N 0 0 348.185 3.270 50 0 EGAARN Brc1ccc(OCc2nc(-c3ccncc3)no2)cc1 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Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000000154668 452522697 /nfs/dbraw/zinc/52/26/97/452522697.db2.gz QIWIWOMNKSGDNR-NSHDSACASA-N 0 0 326.421 3.174 50 0 EGAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccnc1 ZINC000000170889 452527257 /nfs/dbraw/zinc/52/72/57/452527257.db2.gz ODDRCXQRFPSYFO-UHFFFAOYSA-N 0 0 329.363 3.376 50 0 EGAARN CC(=O)c1c(C)n(-c2ccccc2)c(=O)nc1NCc1ccccc1 ZINC000000193440 452531634 /nfs/dbraw/zinc/53/16/34/452531634.db2.gz DEIVIPIPMMRDPG-UHFFFAOYSA-N 0 0 333.391 3.356 50 0 aggregator EGAARN C[C@@H]1CCCc2sc3nc(NN)n(-c4ccccc4)c(=O)c3c21 ZINC000000198650 452533757 /nfs/dbraw/zinc/53/37/57/452533757.db2.gz LBBLITUNFYUBKM-SNVBAGLBSA-N 0 0 326.425 3.173 50 0 EGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000000205325 452535106 /nfs/dbraw/zinc/53/51/06/452535106.db2.gz VXNVOQURXHNCKT-UHFFFAOYSA-N 0 0 337.828 3.096 50 0 EGAARN CCOC(=O)C1CCN(Cc2cc(Br)cs2)CC1 ZINC000000238466 452543951 /nfs/dbraw/zinc/54/39/51/452543951.db2.gz SVMLRXZVCRQAME-UHFFFAOYSA-N 0 0 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O=C(NCc1csc2c1CCCC2)[C@H]1CC(=O)OC12CCCC2 ZINC000097492360 219029122 /nfs/dbraw/zinc/02/91/22/219029122.db2.gz BZBUCFGYWVKDHN-CQSZACIVSA-N 0 0 333.453 3.119 50 0 EGAARN COc1ccc([C@H](C)NC(=O)Cc2c(C)nc3ccccn32)cc1F ZINC000097532502 219034306 /nfs/dbraw/zinc/03/43/06/219034306.db2.gz ISMCEGGUDUBWEW-LBPRGKRZSA-N 0 0 341.386 3.210 50 0 EGAARN CCc1sc(C(=O)Nc2nccc(C)n2)cc1Br ZINC000004749225 210268877 /nfs/dbraw/zinc/26/88/77/210268877.db2.gz GOMJJBHJTRSDQU-UHFFFAOYSA-N 0 0 326.219 3.424 50 0 EGAARN O=C1S/C(=C/c2cccnc2)C(=O)N1CCOc1ccccc1 ZINC000004747015 210268290 /nfs/dbraw/zinc/26/82/90/210268290.db2.gz SURVMRLZXCHHGW-RVDMUPIBSA-N 0 0 326.377 3.197 50 0 EGAARN COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)c2ccccc12 ZINC000524735001 257841991 /nfs/dbraw/zinc/84/19/91/257841991.db2.gz YJCZVVILOUTNCO-MRXNPFEDSA-N 0 0 349.386 3.297 50 0 EGAARN CCCCOc1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1 ZINC000013578793 257859217 /nfs/dbraw/zinc/85/92/17/257859217.db2.gz ZMFOAVIWWUVUAT-UHFFFAOYSA-N 0 0 342.395 3.243 50 0 EGAARN Cc1ccc(-c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc2)c(C)n1 ZINC000426628886 257960203 /nfs/dbraw/zinc/96/02/03/257960203.db2.gz WBZBCYUQEZAWGY-OAHLLOKOSA-N 0 0 334.423 3.380 50 0 EGAARN CCCCNC(=O)CN(C)C(=O)c1cccc(-c2ccncc2C)c1 ZINC000426490253 257967074 /nfs/dbraw/zinc/96/70/74/257967074.db2.gz SQVAWRBMMHMIJL-UHFFFAOYSA-N 0 0 339.439 3.045 50 0 EGAARN Cc1ccc(-c2ccc(CCC(=O)NCCc3cnn(C)c3)o2)cc1 ZINC000426478864 257967121 /nfs/dbraw/zinc/96/71/21/257967121.db2.gz IGVITMQEUHBLPS-UHFFFAOYSA-N 0 0 337.423 3.280 50 0 EGAARN CCc1cc(CNC(=O)N2CCCC[C@H]2CCc2ccccn2)on1 ZINC000426399246 257969728 /nfs/dbraw/zinc/96/97/28/257969728.db2.gz PCBXFWJZJUZMNM-KRWDZBQOSA-N 0 0 342.443 3.329 50 0 EGAARN CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccccc1Cl ZINC000000119111 258047462 /nfs/dbraw/zinc/04/74/62/258047462.db2.gz HEBNHJJBRPFMST-APPDUMDISA-N 0 0 337.803 3.169 50 0 biogenic EGAARN CCC[C@H](NC(=O)c1cccc(-c2cccc(OC)c2)c1)C(=O)NC ZINC000299769090 258083185 /nfs/dbraw/zinc/08/31/85/258083185.db2.gz 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/nfs/dbraw/zinc/10/28/39/258102839.db2.gz SQLZYBVUQICIFL-UHFFFAOYSA-N 0 0 335.391 3.373 50 0 EGAARN COc1ccc(F)c(F)c1C(=O)N1CCCC2(CCOCC2)C1 ZINC000299800749 258104104 /nfs/dbraw/zinc/10/41/04/258104104.db2.gz VYLOUCVJAPNEAE-UHFFFAOYSA-N 0 0 325.355 3.006 50 0 EGAARN COc1ccccc1-c1cccc(C(=O)N2CCc3[nH]cnc3C2)c1 ZINC000096164834 258067748 /nfs/dbraw/zinc/06/77/48/258067748.db2.gz UVSYVTDZZCLFBE-UHFFFAOYSA-N 0 0 333.391 3.284 50 0 EGAARN Cc1nc(-c2ccc(NC(=O)N(C)CCC[C@H]3CCCO3)cc2)n[nH]1 ZINC000096165261 258067804 /nfs/dbraw/zinc/06/78/04/258067804.db2.gz QQNJJXWWAWLMTG-INIZCTEOSA-N 0 0 343.431 3.203 50 0 EGAARN CC(C)c1csc(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000299757049 258075481 /nfs/dbraw/zinc/07/54/81/258075481.db2.gz IBEZIILUPVLZMP-OAHLLOKOSA-N 0 0 344.484 3.056 50 0 EGAARN CCCn1cc(NC(=O)NCc2cc(C(F)(F)F)ccc2F)nn1 ZINC000299758186 258076289 /nfs/dbraw/zinc/07/62/89/258076289.db2.gz OUETUBJFHOLWRW-UHFFFAOYSA-N 0 0 345.300 3.168 50 0 EGAARN Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Nc4cnns4)C3)nc21 ZINC000299759576 258076472 /nfs/dbraw/zinc/07/64/72/258076472.db2.gz OYEUOVPVEHFXRK-LLVKDONJSA-N 0 0 342.428 3.134 50 0 EGAARN Cc1nc([C@H](C)N(C)C(=O)CCn2cc(Cl)cn2)c(C)s1 ZINC000299759464 258076565 /nfs/dbraw/zinc/07/65/65/258076565.db2.gz SCNCBSLUNWDEAD-VIFPVBQESA-N 0 0 326.853 3.220 50 0 EGAARN COc1ccc2c(C)c(C(=O)N3CC[C@@H](c4nc(C)no4)C3)oc2c1 ZINC000299762475 258079541 /nfs/dbraw/zinc/07/95/41/258079541.db2.gz XMLTYWJZOMDNTL-GFCCVEGCSA-N 0 0 341.367 3.071 50 0 EGAARN COCCN(Cc1ccccc1F)C(=O)Nc1ccnn1CC(C)C ZINC000299762958 258079724 /nfs/dbraw/zinc/07/97/24/258079724.db2.gz NTVZZWKTGFXFBB-UHFFFAOYSA-N 0 0 348.422 3.359 50 0 EGAARN Cc1cccc([C@H](NC(=O)CN(C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000299765526 258080913 /nfs/dbraw/zinc/08/09/13/258080913.db2.gz ACQVFVRJDLQGBY-HXUWFJFHSA-N 0 0 341.430 3.228 50 0 EGAARN CCN1C[C@]2(CCCN(c3cc(C(C)C)nc(C)n3)C2)CCC1=O ZINC000072447746 285471127 /nfs/dbraw/zinc/47/11/27/285471127.db2.gz OBDWOHHUGXPPMG-IBGZPJMESA-N 0 0 330.476 3.137 50 0 EGAARN Cc1cc(C)cc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000052537643 132184401 /nfs/dbraw/zinc/18/44/01/132184401.db2.gz UXTKVSCUVSLNHO-UHFFFAOYSA-N 0 0 341.430 3.203 50 0 EGAARN Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C)CC2)c1C ZINC000055062895 132193239 /nfs/dbraw/zinc/19/32/39/132193239.db2.gz WJJHNQBJQUPJHE-UHFFFAOYSA-N 0 0 337.467 3.373 50 0 EGAARN CN1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 ZINC000036618582 132391942 /nfs/dbraw/zinc/39/19/42/132391942.db2.gz HVAGVEYQYQJVFG-UHFFFAOYSA-N 0 0 338.789 3.486 50 0 EGAARN O=C1CN(Cc2cc3ccccc3o2)CCN1c1ccc2n[nH]cc2c1 ZINC000082120484 132819175 /nfs/dbraw/zinc/81/91/75/132819175.db2.gz WXSBFGDZNDNJGX-UHFFFAOYSA-N 0 0 346.390 3.158 50 0 EGAARN CCOc1ccccc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000001480354 135655470 /nfs/dbraw/zinc/65/54/70/135655470.db2.gz HGKMDBRETFUMRR-UHFFFAOYSA-N 0 0 340.423 3.056 50 0 EGAARN CCOC(=O)c1cc(NCc2cccs2)ccc1N1CCOCC1 ZINC000004386312 135663914 /nfs/dbraw/zinc/66/39/14/135663914.db2.gz ZKPGVCVMIYMSJO-UHFFFAOYSA-N 0 0 346.452 3.374 50 0 EGAARN Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000004733361 135666285 /nfs/dbraw/zinc/66/62/85/135666285.db2.gz UJWAKJRRFOINOA-UHFFFAOYSA-N 0 0 333.794 3.024 50 0 EGAARN Cc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1 ZINC000007495663 135680657 /nfs/dbraw/zinc/68/06/57/135680657.db2.gz CXHHEJVSAKLUOY-GOSISDBHSA-N 0 0 338.451 3.420 50 0 EGAARN Cc1ccc(NC2=N[C@@H](c3ccccc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000002226724 292161136 /nfs/dbraw/zinc/16/11/36/292161136.db2.gz PDHSBMFWMDOHCI-GOSISDBHSA-N 0 0 345.406 3.110 50 0 EGAARN Cc1ccc([C@@H]2C(=O)N(C)S[C@]23C(=O)Nc2ccccc23)cc1C ZINC000096191616 292206521 /nfs/dbraw/zinc/20/65/21/292206521.db2.gz GJRJPFQRTHTNCV-APWZRJJASA-N 0 0 338.432 3.355 50 0 EGAARN COc1cc(C)ccc1[C@@H]1CC(=O)NCc2nc3ccc(C)cn3c21 ZINC000065388116 286212438 /nfs/dbraw/zinc/21/24/38/286212438.db2.gz NNSVVFHLAIYBLP-HNNXBMFYSA-N 0 0 335.407 3.112 50 0 EGAARN COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C2 ZINC000000353347 286257756 /nfs/dbraw/zinc/25/77/56/286257756.db2.gz BBBNESHPTXUIAA-UHFFFAOYSA-N 0 0 328.364 3.051 50 0 biogenic EGAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1CCCc2ccccc21 ZINC000020724536 286431761 /nfs/dbraw/zinc/43/17/61/286431761.db2.gz ZUTDEBWKOMQAMB-GOSISDBHSA-N 0 0 325.364 3.326 50 0 EGAARN Cc1ccc2c(c1)[C@]1(CC(=O)Nc3c1cnn3-c1ccccc1)C(=O)N2 ZINC000020744592 292370725 /nfs/dbraw/zinc/37/07/25/292370725.db2.gz VBWXMEQDSMDBBT-FQEVSTJZSA-N 0 0 344.374 3.411 50 0 EGAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000028287921 274667599 /nfs/dbraw/zinc/66/75/99/274667599.db2.gz UKMLAFYACNIJQF-UHFFFAOYSA-N 0 0 340.310 3.464 50 0 EGAARN Cc1ccc(C)c(-n2ncc3c4nc(-c5cccnc5)nn4cnc32)c1 ZINC000005269425 274738305 /nfs/dbraw/zinc/73/83/05/274738305.db2.gz RCGIYYYYJKXNAB-UHFFFAOYSA-N 0 0 341.378 3.142 50 0 EGAARN c1ccc2nc(-c3nnc4sc(-c5ccncc5)nn43)ccc2c1 ZINC000013683327 275071899 /nfs/dbraw/zinc/07/18/99/275071899.db2.gz ASFUQLVYVAMCDA-UHFFFAOYSA-N 0 0 330.376 3.463 50 0 EGAARN Brc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 ZINC000000139926 275368612 /nfs/dbraw/zinc/36/86/12/275368612.db2.gz CLBFAKALONTKBD-UHFFFAOYSA-N 0 0 329.201 3.433 50 0 aggregator EGAARN CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1S2 ZINC000096232382 275559271 /nfs/dbraw/zinc/55/92/71/275559271.db2.gz CXHATPGUEAGWCM-UHFFFAOYSA-N 0 0 327.409 3.417 50 0 EGAARN O=C(NCc1cccs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000002846805 452730157 /nfs/dbraw/zinc/73/01/57/452730157.db2.gz SYOCNNPXPWQQHJ-UHFFFAOYSA-N 0 0 329.208 3.310 50 0 EGAARN CN1C(=O)C[C@H](c2ncnn2C2Cc3ccccc3C2)c2ccccc21 ZINC000091664674 277015425 /nfs/dbraw/zinc/01/54/25/277015425.db2.gz IUWKUJCHZVSBCY-SFHVURJKSA-N 0 0 344.418 3.116 50 0 EGAARN CNc1nc2c(s1)[C@H](c1ccc(Br)s1)CC(=O)N2 ZINC000066091353 277046405 /nfs/dbraw/zinc/04/64/05/277046405.db2.gz WLGNKWWPPZVWJF-YFKPBYRVSA-N 0 0 344.259 3.483 50 0 EGAARN COC(=O)Cc1c(Br)c(F)cc(F)c1Br ZINC000263625272 277331121 /nfs/dbraw/zinc/33/11/21/277331121.db2.gz YGIFNPPZYUBJCV-UHFFFAOYSA-N 0 0 343.949 3.205 50 0 EGAARN COc1ccc([C@H]2C[C@@H](c3ccccc3OC)n3ncnc3N2)cc1 ZINC000000533208 277935730 /nfs/dbraw/zinc/93/57/30/277935730.db2.gz OOGBTEKZDKXMPH-SJORKVTESA-N 0 0 336.395 3.442 50 0 EGAARN COc1cccc2cc(C(N)=O)/c(=N/c3ccc(F)cc3C)oc21 ZINC000067292689 278043381 /nfs/dbraw/zinc/04/33/81/278043381.db2.gz OCZQCJPZLSAYNR-UZYVYHOESA-N 0 0 326.327 3.220 50 0 EGAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2C1=Cc2ccccc2OC1 ZINC000071280623 278119996 /nfs/dbraw/zinc/11/99/96/278119996.db2.gz AHVQWAJWYICFNR-CYBMUJFWSA-N 0 0 325.368 3.309 50 0 EGAARN CC1(C)Cc2nc3sc4c(c3cc2CO1)N=CN1CCCN=C41 ZINC000100639831 278399689 /nfs/dbraw/zinc/39/96/89/278399689.db2.gz MIGJKMRKSSDKPT-UHFFFAOYSA-N 0 0 326.425 3.273 50 0 EGAARN Cc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000072150538 278815091 /nfs/dbraw/zinc/81/50/91/278815091.db2.gz UNNUHUBGJYKZAJ-QGZVFWFLSA-N 0 0 349.450 3.243 50 0 EGAARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2ccccc2s1 ZINC000005032493 279066548 /nfs/dbraw/zinc/06/65/48/279066548.db2.gz OPZWVVOPMLRGAB-ZUZCIYMTSA-N 0 0 326.377 3.463 50 0 EGAARN 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ZINC000067198001 215122948 /nfs/dbraw/zinc/12/29/48/215122948.db2.gz FZFVQEXTDOMPBY-UHFFFAOYSA-N 0 0 335.762 3.261 50 0 EGAARN O=C(NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1)C1CC1 ZINC000067459933 215149149 /nfs/dbraw/zinc/14/91/49/215149149.db2.gz ZFVVUISALRRJCS-UHFFFAOYSA-N 0 0 336.370 3.304 50 0 EGAARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC[C@H]2O ZINC000003098237 209963910 /nfs/dbraw/zinc/96/39/10/209963910.db2.gz ATBTYBIICLOBJH-LLVKDONJSA-N 0 0 325.430 3.423 50 0 EGAARN Cc1nccn1[C@@H](C)C(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000067713082 215190325 /nfs/dbraw/zinc/19/03/25/215190325.db2.gz QWWPTSVLSOAGSS-NSHDSACASA-N 0 0 344.802 3.377 50 0 EGAARN Cc1cnccc1CN(C)C(=O)c1cnc(Nc2ccccc2)nc1 ZINC000067689114 215185587 /nfs/dbraw/zinc/18/55/87/215185587.db2.gz PBNFEAPFUWAUOI-UHFFFAOYSA-N 0 0 333.395 3.196 50 0 EGAARN Cc1ocnc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067695025 215187114 /nfs/dbraw/zinc/18/71/14/215187114.db2.gz HXQHFXILLVOOKZ-ZWKOTPCHSA-N 0 0 336.391 3.127 50 0 EGAARN COc1ccc([C@@H](C)N(C)C(=O)c2cccc(-n3cnnc3)c2)cc1 ZINC000067756832 215204849 /nfs/dbraw/zinc/20/48/49/215204849.db2.gz NQHWRCMPDMBVLO-CQSZACIVSA-N 0 0 336.395 3.109 50 0 EGAARN Cc1nc(CC(=O)N(C)Cc2c[nH]nc2-c2ccc(F)cc2)cs1 ZINC000067769539 215208004 /nfs/dbraw/zinc/20/80/04/215208004.db2.gz RXUYLAHUKDXRAM-UHFFFAOYSA-N 0 0 344.415 3.182 50 0 EGAARN CCc1cc([C@H](C)n2cc(-c3cccc(OC)c3OC)nn2)on1 ZINC000067803109 215215318 /nfs/dbraw/zinc/21/53/18/215215318.db2.gz ZDAAKQRKUBHVJR-NSHDSACASA-N 0 0 328.372 3.122 50 0 EGAARN Cc1nc(C)n(CCn2cc(CC3=C(C)CCCC3(C)C)nn2)n1 ZINC000067817508 215220251 /nfs/dbraw/zinc/22/02/51/215220251.db2.gz GBCDTCKBGFZJQU-UHFFFAOYSA-N 0 0 328.464 3.256 50 0 EGAARN CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@H](C)Cc2ccccn2)c1 ZINC000067820019 215221916 /nfs/dbraw/zinc/22/19/16/215221916.db2.gz LFYHROUNJOBBPL-GFCCVEGCSA-N 0 0 345.830 3.397 50 0 EGAARN O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC(c2ccncc2)CC1 ZINC000067803869 215217215 /nfs/dbraw/zinc/21/72/15/215217215.db2.gz NIUHDHJESYOPII-UHFFFAOYSA-N 0 0 348.406 3.197 50 0 EGAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3cccnn3)C2)cc1 ZINC000067805812 215218672 /nfs/dbraw/zinc/21/86/72/215218672.db2.gz DDYPIMFJKOWUEF-INIZCTEOSA-N 0 0 347.422 3.195 50 0 EGAARN COc1ccc([C@@H](C)N(C)C(=O)c2cc(C(C)C)nc(N)n2)cc1 ZINC000067846945 215228889 /nfs/dbraw/zinc/22/88/89/215228889.db2.gz KMIVABBZXXSGPC-GFCCVEGCSA-N 0 0 328.416 3.024 50 0 EGAARN CCCCc1nc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c[nH]1 ZINC000067855940 215233022 /nfs/dbraw/zinc/23/30/22/215233022.db2.gz LKUOQZYGKNRAHZ-ZDUSSCGKSA-N 0 0 339.399 3.064 50 0 EGAARN Cc1ccccc1NC(=O)CCNC(=O)Cc1c[nH]c2ccccc12 ZINC000067868466 215234767 /nfs/dbraw/zinc/23/47/67/215234767.db2.gz PTKKWGVOJOVQMT-UHFFFAOYSA-N 0 0 335.407 3.164 50 0 EGAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CC(=O)Nc2ccccc21 ZINC000067885446 215240249 /nfs/dbraw/zinc/24/02/49/215240249.db2.gz FAQVYWXVSXSPPN-SFHVURJKSA-N 0 0 333.391 3.300 50 0 EGAARN CC1(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)CCCCC1 ZINC000067878843 215238645 /nfs/dbraw/zinc/23/86/45/215238645.db2.gz NYWQWUSGALKFPW-JKSUJKDBSA-N 0 0 345.439 3.063 50 0 EGAARN Cc1cccnc1[C@H](C)NC(=O)CNc1nc2ccccc2s1 ZINC000067880337 215238804 /nfs/dbraw/zinc/23/88/04/215238804.db2.gz YPMLQKQGCPEVQG-LBPRGKRZSA-N 0 0 326.425 3.289 50 0 EGAARN Cc1nc([C@@H](C)N(C)CCn2c3ccccc3oc2=O)c(C)s1 ZINC000067894596 215244537 /nfs/dbraw/zinc/24/45/37/215244537.db2.gz IPAPHSKLKUPQFV-LLVKDONJSA-N 0 0 331.441 3.361 50 0 EGAARN Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002829873 209924326 /nfs/dbraw/zinc/92/43/26/209924326.db2.gz WKCNHOQRTFDHRC-UHFFFAOYSA-N 0 0 336.313 3.269 50 0 EGAARN Cc1cc(NC(=O)c2cc(-c3cnn(C)c3C)nc3ccccc32)no1 ZINC000002808655 209920895 /nfs/dbraw/zinc/92/08/95/209920895.db2.gz XIJQQTNAKNZRSG-UHFFFAOYSA-N 0 0 347.378 3.492 50 0 EGAARN Cc1cccc(-n2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)c1 ZINC000067947557 215256379 /nfs/dbraw/zinc/25/63/79/215256379.db2.gz WVRUBAQMMBJNDN-KRWDZBQOSA-N 0 0 335.411 3.229 50 0 EGAARN COc1ccc(C(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000002522087 209864302 /nfs/dbraw/zinc/86/43/02/209864302.db2.gz ALKHTRVLZRZLAZ-UHFFFAOYSA-N 0 0 348.420 3.059 50 0 EGAARN Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccccc2NCC(F)(F)F)cn1 ZINC000068435047 215307642 /nfs/dbraw/zinc/30/76/42/215307642.db2.gz KNBLOPIRROKORO-VXGBXAGGSA-N 0 0 338.333 3.137 50 0 EGAARN COc1cc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc(OC)c1OC ZINC000002432726 209850293 /nfs/dbraw/zinc/85/02/93/209850293.db2.gz CKYOOVXLKGXONH-HNNXBMFYSA-N 0 0 342.347 3.197 50 0 EGAARN Cc1ccc(CN2CCN(Cc3ccccc3Cl)C[C@H]2CCO)o1 ZINC000104361614 219378844 /nfs/dbraw/zinc/37/88/44/219378844.db2.gz HXNRWOIDVLXEBD-QGZVFWFLSA-N 0 0 348.874 3.310 50 0 EGAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000001929769 209806519 /nfs/dbraw/zinc/80/65/19/209806519.db2.gz NOFNSBPUHZLZQQ-SECBINFHSA-N 0 0 332.400 3.363 50 0 EGAARN Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)cc1 ZINC000001961915 209807793 /nfs/dbraw/zinc/80/77/93/209807793.db2.gz TYWRHKJVMOSLSQ-UHFFFAOYSA-N 0 0 337.375 3.356 50 0 EGAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(c3nnc4n3CCC4)CC2)C1(C)C ZINC000069387536 215398070 /nfs/dbraw/zinc/39/80/70/215398070.db2.gz OGNBWHVUHUOQTQ-WBVHZDCISA-N 0 0 342.487 3.169 50 0 EGAARN Cc1cc(C)n([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(=O)n1 ZINC000001792170 209793986 /nfs/dbraw/zinc/79/39/86/209793986.db2.gz MTVUFHMNFXTTRQ-LLVKDONJSA-N 0 0 339.317 3.079 50 0 EGAARN COCCCn1ccc2c(cnc3c(-c4ccccc4)c(C)nn32)c1=O ZINC000040387981 213295622 /nfs/dbraw/zinc/29/56/22/213295622.db2.gz OEJMGLLGEAUSFW-UHFFFAOYSA-N 0 0 348.406 3.056 50 0 EGAARN CCC(=O)N1CCCC[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000040151334 213273546 /nfs/dbraw/zinc/27/35/46/213273546.db2.gz YQSUDPDWVQCPNU-VQBCORBOSA-N 0 0 332.488 3.110 50 0 EGAARN Cc1ccc(CC(=O)Nc2nnc(-c3ccnn3C(C)C)o2)cc1 ZINC000038871702 213229639 /nfs/dbraw/zinc/22/96/39/213229639.db2.gz OKVGLBBQGHDQLM-UHFFFAOYSA-N 0 0 325.372 3.004 50 0 EGAARN O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccco2)on1 ZINC000038754455 213224355 /nfs/dbraw/zinc/22/43/55/213224355.db2.gz QICPIZGIGMZMDU-UHFFFAOYSA-N 0 0 332.356 3.482 50 0 EGAARN O=C(NCc1ccccc1)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000038713167 213221859 /nfs/dbraw/zinc/22/18/59/213221859.db2.gz SMOZEWBUYAAKMK-UHFFFAOYSA-N 0 0 349.434 3.303 50 0 EGAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H]2C)cc1 ZINC000000974499 209696716 /nfs/dbraw/zinc/69/67/16/209696716.db2.gz SUMRMKIZAWFIDM-CXMBCZLWSA-N 0 0 344.411 3.055 50 0 EGAARN Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ccccn2)cc1 ZINC000000617710 209682502 /nfs/dbraw/zinc/68/25/02/209682502.db2.gz RHNXEAXKQBKQJV-UHFFFAOYSA-N 0 0 336.482 3.239 50 0 EGAARN CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000000806742 209688207 /nfs/dbraw/zinc/68/82/07/209688207.db2.gz STPKPPMNUIVEGP-HNNXBMFYSA-N 0 0 338.407 3.249 50 0 EGAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000000612799 209676962 /nfs/dbraw/zinc/67/69/62/209676962.db2.gz NBFBLMQYIOESER-UHFFFAOYSA-N 0 0 329.352 3.117 50 0 EGAARN COc1ccc(CCNC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 ZINC000038569972 213216401 /nfs/dbraw/zinc/21/64/01/213216401.db2.gz PERDJQAREKLBPR-IBGZPJMESA-N 0 0 340.423 3.021 50 0 EGAARN COC(=O)c1c(C)c(C)sc1NC(=S)NCc1cccnc1 ZINC000000610994 209676318 /nfs/dbraw/zinc/67/63/18/209676318.db2.gz IHSOLEAFTMXSPF-UHFFFAOYSA-N 0 0 335.454 3.033 50 0 EGAARN CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1 ZINC000038148215 213204045 /nfs/dbraw/zinc/20/40/45/213204045.db2.gz ZFWSVVXTUXTQGB-GOSISDBHSA-N 0 0 330.472 3.066 50 0 EGAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccn1 ZINC000000545742 209659384 /nfs/dbraw/zinc/65/93/84/209659384.db2.gz JKUMEKBDRCNTAF-SNVBAGLBSA-N 0 0 325.195 3.472 50 0 EGAARN O=C(N[C@H]1CCC[C@H](O)C1)c1cc(Br)ccc1Cl ZINC000038000208 213186375 /nfs/dbraw/zinc/18/63/75/213186375.db2.gz OMASEMVLZMWPKA-UWVGGRQHSA-N 0 0 332.625 3.136 50 0 EGAARN COc1cccc(OCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000000484401 209630060 /nfs/dbraw/zinc/63/00/60/209630060.db2.gz CBYGJGQQTPFOET-IBGZPJMESA-N 0 0 341.407 3.183 50 0 EGAARN CN1C[C@]2(CCCN(C(=O)c3csc4c3CCCC4)CC2)OC1=O ZINC000072162726 283252663 /nfs/dbraw/zinc/25/26/63/283252663.db2.gz YQPYKKIIKZGRHT-GOSISDBHSA-N 0 0 348.468 3.074 50 0 EGAARN Cc1ccc(C)c(-n2ncc3c2ncnc3NCCCn2ccnc2)c1 ZINC000036688997 213109995 /nfs/dbraw/zinc/10/99/95/213109995.db2.gz PUSDADWMFLURDX-UHFFFAOYSA-N 0 0 347.426 3.131 50 0 EGAARN COc1ccc(-n2nnc(C(=O)NC3CCCC3)c2C(C)C)cc1 ZINC000036636111 213106497 /nfs/dbraw/zinc/10/64/97/213106497.db2.gz HRENFNKLYLPIBS-UHFFFAOYSA-N 0 0 328.416 3.072 50 0 EGAARN CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036615289 213103049 /nfs/dbraw/zinc/10/30/49/213103049.db2.gz HAJTZGNIURSTSI-UHFFFAOYSA-N 0 0 348.255 3.031 50 0 EGAARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 ZINC000036370078 213091862 /nfs/dbraw/zinc/09/18/62/213091862.db2.gz NXRSDBRNEVFHJT-UHFFFAOYSA-N 0 0 346.390 3.297 50 0 biogenic EGAARN COc1ccc(CCNC(=O)c2sc(NC3CC3)nc2C)cc1 ZINC000036365110 213091103 /nfs/dbraw/zinc/09/11/03/213091103.db2.gz ZWMPGRUQIYAAAV-UHFFFAOYSA-N 0 0 331.441 3.007 50 0 EGAARN COC(=O)c1ccc(C(=O)NC[C@H](O)c2cccc3ccccc32)cc1 ZINC000070636006 215700832 /nfs/dbraw/zinc/70/08/32/215700832.db2.gz HYMGMBAOFDVNRM-IBGZPJMESA-N 0 0 349.386 3.090 50 0 EGAARN O=C(NCc1cccc2ccccc21)Nc1ccc2c(c1)C(=O)NCC2 ZINC000070638342 215701585 /nfs/dbraw/zinc/70/15/85/215701585.db2.gz XGFCNDNQTOGWJQ-UHFFFAOYSA-N 0 0 345.402 3.447 50 0 EGAARN COC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000000442862 209602431 /nfs/dbraw/zinc/60/24/31/209602431.db2.gz ZBEKKQMGPDVHTI-UHFFFAOYSA-N 0 0 347.436 3.056 50 0 EGAARN O=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC000035594983 213040594 /nfs/dbraw/zinc/04/05/94/213040594.db2.gz FMSHCQKGBBNUIW-OAHLLOKOSA-N 0 0 337.828 3.102 50 0 EGAARN CCc1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)on1 ZINC000035511482 213035293 /nfs/dbraw/zinc/03/52/93/213035293.db2.gz SMQNQEPBAXHQPD-CYBMUJFWSA-N 0 0 329.356 3.335 50 0 EGAARN Cc1cc(N2CCOCC2)nc2sc3c(ncnc3NC(C)C)c21 ZINC000071283936 215753078 /nfs/dbraw/zinc/75/30/78/215753078.db2.gz CMTGLPUKJXVFJN-UHFFFAOYSA-N 0 0 343.456 3.205 50 0 EGAARN COc1cc2nc(=S)[nH]c(NCc3cccnc3)c2cc1OC ZINC000000429290 209595637 /nfs/dbraw/zinc/59/56/37/209595637.db2.gz IKMMIBKGQNYPEZ-UHFFFAOYSA-N 0 0 328.397 3.317 50 0 EGAARN NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067298363 283368441 /nfs/dbraw/zinc/36/84/41/283368441.db2.gz HLYHVGOMCIVJPQ-SILNSSARSA-N 0 0 332.718 3.262 50 0 EGAARN O=C(CCO)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071750148 215807841 /nfs/dbraw/zinc/80/78/41/215807841.db2.gz DOGAGTCHGRLBBD-AWEZNQCLSA-N 0 0 329.362 3.259 50 0 EGAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000071768135 215822283 /nfs/dbraw/zinc/82/22/83/215822283.db2.gz UJCKXZSXHUXTMQ-UHFFFAOYSA-N 0 0 330.388 3.246 50 0 EGAARN CCOc1cc([C@@H]2CC(=O)Nc3c2cnn3C(C)C)ccc1OC ZINC000072119380 216013576 /nfs/dbraw/zinc/01/35/76/216013576.db2.gz CDOAYBDIVKNASN-ZDUSSCGKSA-N 0 0 329.400 3.345 50 0 EGAARN CSc1ccc(C(=O)[C@H]2CCCN(C(=O)COC(C)C)C2)cc1 ZINC000072124002 216016290 /nfs/dbraw/zinc/01/62/90/216016290.db2.gz UELCIUJVSIBSQT-HNNXBMFYSA-N 0 0 335.469 3.255 50 0 EGAARN CCCCc1nc(Cl)c(CN[C@@H]2CC(=O)N(c3ccccc3)C2)[nH]1 ZINC000072137401 216024613 /nfs/dbraw/zinc/02/46/13/216024613.db2.gz DANHEZAZPYBBLC-CYBMUJFWSA-N 0 0 346.862 3.301 50 0 EGAARN O=C(C[C@@H](c1ccco1)c1ccccc1)N1CCCn2cncc2C1 ZINC000072145711 216031740 /nfs/dbraw/zinc/03/17/40/216031740.db2.gz XUHGROBHYNIDQU-GOSISDBHSA-N 0 0 335.407 3.431 50 0 EGAARN O=C(COc1ccccc1O)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072150892 216039708 /nfs/dbraw/zinc/03/97/08/216039708.db2.gz HGZIDEMYVLOTER-INIZCTEOSA-N 0 0 344.386 3.013 50 0 EGAARN Cc1cc(-c2nn(C)c(Cl)c2CN2CC(c3cccnc3)C2)no1 ZINC000072154171 216044232 /nfs/dbraw/zinc/04/42/32/216044232.db2.gz HQNTYTVNAJANAU-UHFFFAOYSA-N 0 0 343.818 3.031 50 0 EGAARN CC(C)c1cc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n2nccc2n1 ZINC000072156267 216045506 /nfs/dbraw/zinc/04/55/06/216045506.db2.gz KGDNMGSXWRMDCC-INIZCTEOSA-N 0 0 349.438 3.066 50 0 EGAARN COC(=O)c1cc(CN2CCC[C@@H](OCc3cccnc3)C2)cs1 ZINC000072156508 216045836 /nfs/dbraw/zinc/04/58/36/216045836.db2.gz KNXAZSGYSDLPHC-MRXNPFEDSA-N 0 0 346.452 3.111 50 0 EGAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(-n2cccn2)c1 ZINC000072171358 216061713 /nfs/dbraw/zinc/06/17/13/216061713.db2.gz HNOZBCCHQMGLOH-UHFFFAOYSA-N 0 0 330.391 3.326 50 0 EGAARN COc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc(C)cc2)cc1 ZINC000000367484 209555304 /nfs/dbraw/zinc/55/53/04/209555304.db2.gz GYZDPUXOGSJGQW-MSOLQXFVSA-N 0 0 325.364 3.023 50 0 EGAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1 ZINC000000351441 209545742 /nfs/dbraw/zinc/54/57/42/209545742.db2.gz YODCFPOOWUOURW-UHFFFAOYSA-N 0 0 329.359 3.456 50 0 EGAARN O=C(COC(=O)Cc1ccccc1Cl)N[C@@H]1CCc2ccccc21 ZINC000072331060 216154579 /nfs/dbraw/zinc/15/45/79/216154579.db2.gz LSJRTXBVOXFYKI-QGZVFWFLSA-N 0 0 343.810 3.229 50 0 EGAARN CCOc1ccccc1C(=O)OCC(=O)NCc1ccc(C)c(C)c1 ZINC000072333882 216156007 /nfs/dbraw/zinc/15/60/07/216156007.db2.gz YTYWWOHGEIIDBQ-UHFFFAOYSA-N 0 0 341.407 3.175 50 0 EGAARN Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)c(Cl)c2)s1 ZINC000072334001 216156262 /nfs/dbraw/zinc/15/62/62/216156262.db2.gz AGAMTEXZHKVGDA-UHFFFAOYSA-N 0 0 341.791 3.322 50 0 EGAARN CCOC(=O)c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000169429 209461634 /nfs/dbraw/zinc/46/16/34/209461634.db2.gz KCEIHKFIQWGBDN-UHFFFAOYSA-N 0 0 342.273 3.431 50 0 EGAARN O=c1c2c3c(sc2nnn1Cc1ccccc1Cl)CCCC3 ZINC000000148780 209452395 /nfs/dbraw/zinc/45/23/95/209452395.db2.gz ITPUMEPOVAKQSS-UHFFFAOYSA-N 0 0 331.828 3.434 50 0 EGAARN COc1ccc(-c2cnn3c2nccc3-c2cc(O)ccc2O)cc1 ZINC000072403124 216194708 /nfs/dbraw/zinc/19/47/08/216194708.db2.gz YCTPGIDKLVRIAS-UHFFFAOYSA-N 0 0 333.347 3.483 50 0 EGAARN CCc1sc(C)nc1C(=O)NCCn1ccc2c1cccc2OC ZINC000072403644 216194976 /nfs/dbraw/zinc/19/49/76/216194976.db2.gz OIXOXCBNCJWBAI-UHFFFAOYSA-N 0 0 343.452 3.407 50 0 EGAARN Cc1ccccc1OCC(=O)Nc1ccnn1Cc1cccs1 ZINC000028404501 212618223 /nfs/dbraw/zinc/61/82/23/212618223.db2.gz WHSPSPWFIGMOTF-UHFFFAOYSA-N 0 0 327.409 3.319 50 0 EGAARN Nc1ncc(C(=O)N2CCC[C@H]2c2ccccn2)c(-c2ccccc2)n1 ZINC000072407696 216197953 /nfs/dbraw/zinc/19/79/53/216197953.db2.gz FZFFBBKLUJNGRD-KRWDZBQOSA-N 0 0 345.406 3.098 50 0 EGAARN Fc1ccc(-c2cc(N3CCCn4cncc4C3)n3nccc3n2)cc1 ZINC000072406911 216198373 /nfs/dbraw/zinc/19/83/73/216198373.db2.gz OPBLWQMGVANXCR-UHFFFAOYSA-N 0 0 348.385 3.142 50 0 EGAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000072408152 216199749 /nfs/dbraw/zinc/19/97/49/216199749.db2.gz MVYIJGFELZBKGF-KRWDZBQOSA-N 0 0 338.363 3.122 50 0 EGAARN Cc1cc2nc(C)cc(NCc3nc4cc(Cl)ccc4[nH]3)n2n1 ZINC000072418550 216206103 /nfs/dbraw/zinc/20/61/03/216206103.db2.gz WEQLFEMMVJFGCT-UHFFFAOYSA-N 0 0 326.791 3.488 50 0 EGAARN COc1cc(OC)cc(C(=O)n2nc(C)c(-c3ccccc3)c2N)c1 ZINC000000104148 209423314 /nfs/dbraw/zinc/42/33/14/209423314.db2.gz YZXNSLJMRUVOJC-UHFFFAOYSA-N 0 0 337.379 3.146 50 0 biogenic,in-vitro EGAARN Cc1cc2nc(C)cc(NCc3nc(-c4ccccc4F)no3)n2n1 ZINC000072410088 216202850 /nfs/dbraw/zinc/20/28/50/216202850.db2.gz RTQOIRRDJJNOAL-UHFFFAOYSA-N 0 0 338.346 3.147 50 0 EGAARN Cc1nccn1C1(C(=O)[O-])CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000072421346 216209002 /nfs/dbraw/zinc/20/90/02/216209002.db2.gz XYWCRBDEAXOHJB-UHFFFAOYSA-N 0 0 339.395 3.014 50 0 EGAARN CC(C)(O)CCc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000072422047 216210406 /nfs/dbraw/zinc/21/04/06/216210406.db2.gz PJCUFDBOPTWZPN-RXVVDRJESA-N 0 0 345.483 3.157 50 0 EGAARN Cc1cc(C)n(-c2cccc(C(=O)N3CCC(c4ncc[nH]4)CC3)c2)n1 ZINC000072427070 216217102 /nfs/dbraw/zinc/21/71/02/216217102.db2.gz GLIJYGRDNWSXBW-UHFFFAOYSA-N 0 0 349.438 3.232 50 0 EGAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000072424235 216213468 /nfs/dbraw/zinc/21/34/68/216213468.db2.gz NQQXTEMKRFQKSR-MRXNPFEDSA-N 0 0 341.411 3.025 50 0 EGAARN CC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(C)(C)C)C1 ZINC000000062654 209395668 /nfs/dbraw/zinc/39/56/68/209395668.db2.gz BRLOMZGHAMVPBM-HNNXBMFYSA-N 0 0 339.233 3.406 50 0 EGAARN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000000060003 209394679 /nfs/dbraw/zinc/39/46/79/209394679.db2.gz WMHCHMBZXRRFRN-MRXNPFEDSA-N 0 0 334.391 3.433 50 0 EGAARN Cc1ccc(C(=O)Oc2ccccc2C(=S)N2CCOCC2)cc1 ZINC000000049373 209390876 /nfs/dbraw/zinc/39/08/76/209390876.db2.gz MRLJEJYMYAOALD-UHFFFAOYSA-N 0 0 341.432 3.222 50 0 EGAARN NC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCC2 ZINC000000046844 209389005 /nfs/dbraw/zinc/38/90/05/209389005.db2.gz MIMDKPWTBOPMIW-UHFFFAOYSA-N 0 0 328.437 3.297 50 0 EGAARN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000044729 209387845 /nfs/dbraw/zinc/38/78/45/209387845.db2.gz JRAAWYUMYVTURZ-CYBMUJFWSA-N 0 0 342.370 3.216 50 0 EGAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000043047 209386346 /nfs/dbraw/zinc/38/63/46/209386346.db2.gz KOESDMJNIUPSNY-LLVKDONJSA-N 0 0 332.762 3.471 50 0 EGAARN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC(c2ncc[nH]2)CC1 ZINC000072431015 216223493 /nfs/dbraw/zinc/22/34/93/216223493.db2.gz ZOJKWUXRAZQPDR-UHFFFAOYSA-N 0 0 343.814 3.245 50 0 EGAARN C[C@@H](Cc1ccncc1)NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072433142 216226471 /nfs/dbraw/zinc/22/64/71/216226471.db2.gz ZPPYJQVXJVXPIL-HNNXBMFYSA-N 0 0 326.440 3.146 50 0 EGAARN CCCc1cc(N[C@@H](C)c2nc(-c3ccccn3)no2)n2nccc2n1 ZINC000072448331 216238628 /nfs/dbraw/zinc/23/86/28/216238628.db2.gz UHLRUJKDYOXXLH-LBPRGKRZSA-N 0 0 349.398 3.300 50 0 EGAARN Cc1nc(CC(=O)N(Cc2cnn(C)c2)C2CCCCC2)cs1 ZINC000072457105 216242454 /nfs/dbraw/zinc/24/24/54/216242454.db2.gz OUBILRUJYRHXFH-UHFFFAOYSA-N 0 0 332.473 3.089 50 0 EGAARN O=C(c1cccc(CO)c1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072458121 216244057 /nfs/dbraw/zinc/24/40/57/216244057.db2.gz RIUNWMZKJGQGTH-MRXNPFEDSA-N 0 0 343.398 3.249 50 0 EGAARN Cc1cc2nc(-c3ccccc3)cc(N(C)Cc3nccn3C)n2n1 ZINC000072474260 216251332 /nfs/dbraw/zinc/25/13/32/216251332.db2.gz MFXAVKVTTGDPTO-UHFFFAOYSA-N 0 0 332.411 3.075 50 0 EGAARN CC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccnn1C ZINC000072473843 216251852 /nfs/dbraw/zinc/25/18/52/216251852.db2.gz 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/nfs/dbraw/zinc/04/72/47/241047247.db2.gz RYKXUNVAPSTJQT-GOSISDBHSA-N 0 0 342.439 3.051 50 0 EGAARN CO[C@H]1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1 ZINC000206766902 241049892 /nfs/dbraw/zinc/04/98/92/241049892.db2.gz VMRSSKXZKWZIIG-IBGZPJMESA-N 0 0 342.414 3.023 50 0 EGAARN CSc1ccc(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000206827090 241051763 /nfs/dbraw/zinc/05/17/63/241051763.db2.gz SPOFLENKNZGBGV-INIZCTEOSA-N 0 0 341.480 3.131 50 0 EGAARN CSc1ccc(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000206827042 241051926 /nfs/dbraw/zinc/05/19/26/241051926.db2.gz SPOFLENKNZGBGV-MRXNPFEDSA-N 0 0 341.480 3.131 50 0 EGAARN O=S(=O)(NCc1cncc(-c2ccsc2)c1)c1ccccc1F ZINC000206949643 241057436 /nfs/dbraw/zinc/05/74/36/241057436.db2.gz RDOHPHZQEDQYGQ-UHFFFAOYSA-N 0 0 348.424 3.428 50 0 EGAARN Cc1ccc(C)c([C@H](NC(=O)CCc2ccnn2C)c2cccnc2)c1 ZINC000215358205 241119632 /nfs/dbraw/zinc/11/96/32/241119632.db2.gz DXJIIICBBMYRDV-OAQYLSRUSA-N 0 0 348.450 3.270 50 0 EGAARN Cc1cc(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)c(C)o1 ZINC000207985222 241063250 /nfs/dbraw/zinc/06/32/50/241063250.db2.gz NVDCBCQFFGKWHZ-IBGZPJMESA-N 0 0 325.364 3.198 50 0 EGAARN Cc1cc2ncc(CCCNC(=O)c3cc4ccccc4o3)cn2n1 ZINC000207994433 241064729 /nfs/dbraw/zinc/06/47/29/241064729.db2.gz FPHXUOGHDVEJLY-UHFFFAOYSA-N 0 0 334.379 3.147 50 0 EGAARN COCc1ncc(CN2CCC[C@@H]2c2nc3c(cccc3C)[nH]2)cn1 ZINC000215746757 241141880 /nfs/dbraw/zinc/14/18/80/241141880.db2.gz GKFWWTJIBIEWKE-MRXNPFEDSA-N 0 0 337.427 3.145 50 0 EGAARN CSc1ccc2c(c1)CCN(CCn1c3ccccc3oc1=O)C2 ZINC000215787358 241145907 /nfs/dbraw/zinc/14/59/07/241145907.db2.gz YFSHDSSUXSMMJW-UHFFFAOYSA-N 0 0 340.448 3.375 50 0 EGAARN O=C(N1CCC[C@H](c2nnc[nH]2)C1)C1(c2ccccc2)CCCCC1 ZINC000215781682 241147542 /nfs/dbraw/zinc/14/75/42/241147542.db2.gz JJNMJKCPZUBQEM-INIZCTEOSA-N 0 0 338.455 3.413 50 0 EGAARN Cc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000216477585 241194079 /nfs/dbraw/zinc/19/40/79/241194079.db2.gz HUNATKRPKMGJSZ-UHFFFAOYSA-N 0 0 338.451 3.445 50 0 EGAARN CCSc1ncc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)cn1 ZINC000216509821 241198007 /nfs/dbraw/zinc/19/80/07/241198007.db2.gz YWHXGBXWFWFENL-OAHLLOKOSA-N 0 0 342.468 3.079 50 0 EGAARN c1c(CN2CCC(Oc3ncccn3)CC2)onc1-c1ccccc1 ZINC000215574365 241133527 /nfs/dbraw/zinc/13/35/27/241133527.db2.gz DBEJMBJHSZIFML-UHFFFAOYSA-N 0 0 336.395 3.175 50 0 EGAARN CC[C@H](NC(=O)OCc1ccccc1)c1nc(C(=O)OC)c(C)o1 ZINC000218910056 241350662 /nfs/dbraw/zinc/35/06/62/241350662.db2.gz SNHAABRCDUVHSH-ZDUSSCGKSA-N 0 0 332.356 3.147 50 0 EGAARN COC[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ccnn1C ZINC000218940177 241352840 /nfs/dbraw/zinc/35/28/40/241352840.db2.gz DHDCHEKCILLZMC-SFHVURJKSA-N 0 0 335.407 3.205 50 0 EGAARN O=C(c1cccc(OC(F)F)c1)N1CC(Oc2ccccc2F)C1 ZINC000219275905 241371902 /nfs/dbraw/zinc/37/19/02/241371902.db2.gz ANRVNWJUHKTNHY-UHFFFAOYSA-N 0 0 337.297 3.331 50 0 EGAARN O=C(CCCOc1ccccc1)NCc1[nH]nc2c1CCCCC2 ZINC000219516968 241393447 /nfs/dbraw/zinc/39/34/47/241393447.db2.gz ZRVQGSUTSGPDJT-UHFFFAOYSA-N 0 0 327.428 3.154 50 0 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339.391 3.453 50 0 EGAARN COC(=O)c1ccccc1C(=O)NCc1cc(-c2ccccc2)on1 ZINC000021010069 212198750 /nfs/dbraw/zinc/19/87/50/212198750.db2.gz POURBUUMYVJRMQ-UHFFFAOYSA-N 0 0 336.347 3.058 50 0 EGAARN NC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2cccs2)s1 ZINC000020994107 212195030 /nfs/dbraw/zinc/19/50/30/212195030.db2.gz MMHWOODDQJIVSA-LBPRGKRZSA-N 0 0 334.466 3.205 50 0 EGAARN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCOCC2)o1 ZINC000020919369 212188832 /nfs/dbraw/zinc/18/88/32/212188832.db2.gz MVTMYGDRAIRUMN-UHFFFAOYSA-N 0 0 341.386 3.412 50 0 EGAARN Cc1nc([C@H]2C[C@@H](O)C2)cc(N(C)Cc2cc3cc(F)ccc3[nH]2)n1 ZINC000244718946 243066945 /nfs/dbraw/zinc/06/69/45/243066945.db2.gz LTYPNKXVIYRKEI-AKAXFMLLSA-N 0 0 340.402 3.280 50 0 EGAARN CCOCCn1ccc(-c2cccc(-c3cc(N(C)C)ncn3)c2)n1 ZINC000020860205 212176889 /nfs/dbraw/zinc/17/68/89/212176889.db2.gz ZQTGVDIXCRWNLM-UHFFFAOYSA-N 0 0 337.427 3.110 50 0 EGAARN CCCc1cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)cs1 ZINC000244647098 243052009 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/nfs/dbraw/zinc/36/66/49/211366649.db2.gz JOWYPGBLYNXYMR-UHFFFAOYSA-N 0 0 343.408 3.019 50 0 EGAARN COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccccn2)C1 ZINC000012308479 211342135 /nfs/dbraw/zinc/34/21/35/211342135.db2.gz PVWNVEXISKPVTH-AWEZNQCLSA-N 0 0 328.387 3.324 50 0 EGAARN Cc1occc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012299160 211336708 /nfs/dbraw/zinc/33/67/08/211336708.db2.gz QZNSOVVYUSPMLM-LJQANCHMSA-N 0 0 349.377 3.324 50 0 EGAARN COCC(=O)Nc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 ZINC000012296673 211334989 /nfs/dbraw/zinc/33/49/89/211334989.db2.gz VCFGZSPLBFCHOI-UHFFFAOYSA-N 0 0 339.347 3.054 50 0 biogenic EGAARN O=C(CCCOc1ccccc1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000012128875 211299576 /nfs/dbraw/zinc/29/95/76/211299576.db2.gz AZZZJAMJXQZKIW-UHFFFAOYSA-N 0 0 341.386 3.220 50 0 EGAARN Cc1nnc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)o1 ZINC000012076698 211287858 /nfs/dbraw/zinc/28/78/58/211287858.db2.gz QGRAZMOBFOGFLJ-MRXNPFEDSA-N 0 0 339.370 3.356 50 0 EGAARN Cc1ncsc1C(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 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Cn1nc(C(=O)NC[C@H]2COc3ccccc3C2)cc1-c1ccccc1 ZINC000091451941 218008364 /nfs/dbraw/zinc/00/83/64/218008364.db2.gz XUZPQSJZFUACLO-HNNXBMFYSA-N 0 0 347.418 3.068 50 0 EGAARN O=C(Nc1cccc(Cl)c1)c1nn(-c2ccccc2)ccc1=O ZINC000011914406 211268716 /nfs/dbraw/zinc/26/87/16/211268716.db2.gz GFCQKVYGDXLKLF-UHFFFAOYSA-N 0 0 325.755 3.138 50 0 EGAARN COc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000011906945 211266727 /nfs/dbraw/zinc/26/67/27/211266727.db2.gz FBVSBADEZSBGGZ-UHFFFAOYSA-N 0 0 336.395 3.219 50 0 EGAARN CCCC(=O)C(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C ZINC000091474205 218011154 /nfs/dbraw/zinc/01/11/54/218011154.db2.gz XYYAOOZWRAZAMZ-INIZCTEOSA-N 0 0 339.439 3.352 50 0 EGAARN O=C(NCCCn1ccnn1)c1sc2cccc(F)c2c1Cl ZINC000091486344 218013211 /nfs/dbraw/zinc/01/32/11/218013211.db2.gz OVPUZSQGAMYRCN-UHFFFAOYSA-N 0 0 338.795 3.105 50 0 EGAARN Cc1c([C@@H](C)NC(=O)NCc2ccccc2)cnn1-c1ccccn1 ZINC000011820520 211251948 /nfs/dbraw/zinc/25/19/48/211251948.db2.gz PQBVZRVNMRIDKP-CQSZACIVSA-N 0 0 335.411 3.136 50 0 EGAARN CCCCc1nc(Cl)c(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)[nH]1 ZINC000091519426 218017090 /nfs/dbraw/zinc/01/70/90/218017090.db2.gz IWWURCJCMAZSOM-PXAZEXFGSA-N 0 0 325.884 3.389 50 0 EGAARN CN(C)[C@H](C(=O)NCc1ccc2[nH]ccc2c1)c1ccc(F)cc1 ZINC000091551815 218021778 /nfs/dbraw/zinc/02/17/78/218021778.db2.gz VMOHWYKSPBTIRT-SFHVURJKSA-N 0 0 325.387 3.226 50 0 EGAARN Cc1cccc([C@H](C(=O)N(Cc2cnn(C)c2)CC(C)C)N(C)C)c1 ZINC000091586458 218025757 /nfs/dbraw/zinc/02/57/57/218025757.db2.gz QMCKLVLIIBVJOC-LJQANCHMSA-N 0 0 342.487 3.016 50 0 EGAARN CSCCC(=O)N1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000011839891 211253712 /nfs/dbraw/zinc/25/37/12/211253712.db2.gz MQFXQEVMEXNAGO-LJQANCHMSA-N 0 0 335.513 3.364 50 0 EGAARN O=C(NCc1cccnc1-n1cnc2ccccc21)c1ccsc1 ZINC000011819740 211252854 /nfs/dbraw/zinc/25/28/54/211252854.db2.gz BYFONMDMWMDJFJ-UHFFFAOYSA-N 0 0 334.404 3.412 50 0 EGAARN COc1ccccc1Oc1ncccc1CNC(=O)Cc1cccnc1 ZINC000011820926 211252586 /nfs/dbraw/zinc/25/25/86/211252586.db2.gz ULBRCMBDGAWZGZ-UHFFFAOYSA-N 0 0 349.390 3.136 50 0 EGAARN CCc1ccc(-c2cn(Cc3nn(CC)c4ccccc34)nn2)nc1 ZINC000091680174 218046911 /nfs/dbraw/zinc/04/69/11/218046911.db2.gz XEMFCDJYAUSCRK-UHFFFAOYSA-N 0 0 332.411 3.320 50 0 EGAARN CC(=O)N1CCC[C@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 ZINC000091690690 218048424 /nfs/dbraw/zinc/04/84/24/218048424.db2.gz FXCAXHPOLFVMGA-FQEVSTJZSA-N 0 0 336.435 3.228 50 0 EGAARN CNC(=O)Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000011695954 211239056 /nfs/dbraw/zinc/23/90/56/211239056.db2.gz FJBGBWOEDHGFJX-UHFFFAOYSA-N 0 0 332.363 3.104 50 0 EGAARN O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1ccsc1 ZINC000011706055 211238144 /nfs/dbraw/zinc/23/81/44/211238144.db2.gz HHJWRQPUUWEPKN-MRXNPFEDSA-N 0 0 336.420 3.408 50 0 EGAARN Cc1cccc(CS(=O)(=O)NCCCc2ccc(N(C)C)cc2)c1 ZINC000011693704 211237244 /nfs/dbraw/zinc/23/72/44/211237244.db2.gz MHURYTUZSDUDEE-UHFFFAOYSA-N 0 0 346.496 3.113 50 0 EGAARN Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(N)s2)no1 ZINC000011693811 211237017 /nfs/dbraw/zinc/23/70/17/211237017.db2.gz SMTZIHRBEFHZBX-UHFFFAOYSA-N 0 0 346.437 3.420 50 0 EGAARN Cc1cccc(-n2nnc(C(=O)Nc3ccccc3Cl)c2N)c1 ZINC000011693077 211236683 /nfs/dbraw/zinc/23/66/83/211236683.db2.gz XYYRRKBHCXJVHA-UHFFFAOYSA-N 0 0 327.775 3.064 50 0 EGAARN COC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1C ZINC000011815617 211249309 /nfs/dbraw/zinc/24/93/09/211249309.db2.gz QFQUZKPHQMGTJU-GOSISDBHSA-N 0 0 325.408 3.148 50 0 EGAARN CCC1=NO[C@@H](Cn2cc(-c3cc(F)c(OC)c(Cl)c3)nn2)C1 ZINC000091645814 218038973 /nfs/dbraw/zinc/03/89/73/218038973.db2.gz KFRMVNAXJURVLC-LLVKDONJSA-N 0 0 338.770 3.301 50 0 EGAARN CCn1ccc(C(=O)Nc2c3ccccc3sc2C(=O)OC)n1 ZINC000011738180 211241606 /nfs/dbraw/zinc/24/16/06/211241606.db2.gz GFWILQLTPDGTTN-UHFFFAOYSA-N 0 0 329.381 3.157 50 0 EGAARN COc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)c(OC)c1 ZINC000011692054 211235672 /nfs/dbraw/zinc/23/56/72/211235672.db2.gz HVVKWHYJWXUEGG-KAMYIIQDSA-N 0 0 334.375 3.358 50 0 EGAARN COc1ccccc1-n1nnc(C(=O)Nc2c(C)cccc2C)c1C ZINC000011690144 211234513 /nfs/dbraw/zinc/23/45/13/211234513.db2.gz NUPZQBXYRDIBSE-UHFFFAOYSA-N 0 0 336.395 3.453 50 0 EGAARN COc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3cccnc3)[nH]n2)cc1 ZINC000091738485 218055993 /nfs/dbraw/zinc/05/59/93/218055993.db2.gz CDSNYLSLBFJOGT-CYBMUJFWSA-N 0 0 336.395 3.314 50 0 EGAARN O=C(/C=C/c1cccnc1)N[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000011667946 211233815 /nfs/dbraw/zinc/23/38/15/211233815.db2.gz KDXVINCQQXMHRR-BBVFFXRHSA-N 0 0 339.414 3.015 50 0 EGAARN CC(C)Cc1cc(C(=O)N2CC(Oc3ccccc3Cl)C2)on1 ZINC000091746302 218057938 /nfs/dbraw/zinc/05/79/38/218057938.db2.gz XODRZYQHWQBDEJ-UHFFFAOYSA-N 0 0 334.803 3.430 50 0 EGAARN CC(C)(C)NC(=O)c1coc(COc2ccc3ncccc3c2)n1 ZINC000011662209 211230076 /nfs/dbraw/zinc/23/00/76/211230076.db2.gz RGCALSCOFAHVCC-UHFFFAOYSA-N 0 0 325.368 3.330 50 0 EGAARN Cc1ccc([C@H](CNC(=O)c2c[nH]nc2C2CCCCC2)N(C)C)o1 ZINC000091849412 218077536 /nfs/dbraw/zinc/07/75/36/218077536.db2.gz QASFHLSXQREWGW-INIZCTEOSA-N 0 0 344.459 3.392 50 0 EGAARN O=C(NC[C@H]1CCc2ccccc2O1)c1cccc(Cn2cccn2)c1 ZINC000091906547 218086940 /nfs/dbraw/zinc/08/69/40/218086940.db2.gz SOWTYTBPMOCJHF-LJQANCHMSA-N 0 0 347.418 3.055 50 0 EGAARN O=C(c1ccc2nccn2c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000092028014 218105844 /nfs/dbraw/zinc/10/58/44/218105844.db2.gz BJDRYKFZNXRDGO-CQSZACIVSA-N 0 0 346.390 3.495 50 0 EGAARN Cn1ccnc1-c1cn(CC2(c3ccccc3F)CCCC2)nn1 ZINC000092037389 218107501 /nfs/dbraw/zinc/10/75/01/218107501.db2.gz NWXAPGGEMVITRX-UHFFFAOYSA-N 0 0 325.391 3.330 50 0 EGAARN Cc1cc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)no1 ZINC000091951936 218094434 /nfs/dbraw/zinc/09/44/34/218094434.db2.gz NKOMDDMNUZAZEB-LJQANCHMSA-N 0 0 342.395 3.083 50 0 EGAARN CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)c1 ZINC000092061945 218111858 /nfs/dbraw/zinc/11/18/58/218111858.db2.gz TVOCEPRKIPCACV-KRWDZBQOSA-N 0 0 340.467 3.440 50 0 EGAARN Cn1cc(CN(C(=O)c2ccc3nccn3c2)C2CCCCC2)cn1 ZINC000092061955 218112091 /nfs/dbraw/zinc/11/20/91/218112091.db2.gz NDJZJMVDBJJKPI-UHFFFAOYSA-N 0 0 337.427 3.043 50 0 EGAARN Cc1cc(C)n([C@@H]2CCN(C(=O)C3(c4ccc(F)cc4)CC3)C2)n1 ZINC000092065971 218113532 /nfs/dbraw/zinc/11/35/32/218113532.db2.gz OLXPWKCRWSINTM-QGZVFWFLSA-N 0 0 327.403 3.144 50 0 EGAARN CCOc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010448816 211174563 /nfs/dbraw/zinc/17/45/63/211174563.db2.gz WLGGBPNIETUZRH-UHFFFAOYSA-N 0 0 325.817 3.217 50 0 EGAARN COc1cc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc(OC)c1OC ZINC000010273308 211159649 /nfs/dbraw/zinc/15/96/49/211159649.db2.gz RQWWXFIQTGZMOP-UHFFFAOYSA-N 0 0 342.355 3.030 50 0 EGAARN CS(=O)(=O)Nc1ccc(C(=O)NCCC2CCCCCC2)cc1 ZINC000010112614 211148667 /nfs/dbraw/zinc/14/86/67/211148667.db2.gz AYRZRWAHKVTVSP-UHFFFAOYSA-N 0 0 338.473 3.148 50 0 EGAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1 ZINC000009814152 211123779 /nfs/dbraw/zinc/12/37/79/211123779.db2.gz FVYXTESYZCTMFG-VXGBXAGGSA-N 0 0 347.440 3.035 50 0 EGAARN CCC1CCC(C(=O)N[C@H](C(=O)NCc2ccncc2)C(C)C)CC1 ZINC000009694430 211116530 /nfs/dbraw/zinc/11/65/30/211116530.db2.gz NDPNOYWETULBJV-VJFUWPCTSA-N 0 0 345.487 3.055 50 0 EGAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)cn3)ccc12 ZINC000009530751 211100121 /nfs/dbraw/zinc/10/01/21/211100121.db2.gz GWZWMMAHEYCGKP-UHFFFAOYSA-N 0 0 344.754 3.167 50 0 EGAARN O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccccc2Cl)o1 ZINC000009434958 211083308 /nfs/dbraw/zinc/08/33/08/211083308.db2.gz ULHOAPWWMDORLQ-LBPRGKRZSA-N 0 0 335.787 3.421 50 0 EGAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccccc4)C3)n2)cc1 ZINC000009317996 211066106 /nfs/dbraw/zinc/06/61/06/211066106.db2.gz QTDJNOXUPPNXEL-AWEZNQCLSA-N 0 0 335.363 3.266 50 0 EGAARN Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 ZINC000009236799 211058036 /nfs/dbraw/zinc/05/80/36/211058036.db2.gz OEEBJUUXZPWPHG-ZDUSSCGKSA-N 0 0 329.425 3.060 50 0 EGAARN CCCN(C(=O)CS(=O)(=O)c1ccccc1)c1cccc(C)c1 ZINC000009196962 211051505 /nfs/dbraw/zinc/05/15/05/211051505.db2.gz VTWNYIGPJJMUBI-UHFFFAOYSA-N 0 0 331.437 3.212 50 0 EGAARN Cc1nc(N(C)C)ncc1C(=O)N1CC[C@H](c2ccccc2Cl)C1 ZINC000095352590 218287526 /nfs/dbraw/zinc/28/75/26/218287526.db2.gz QEZZESHRFYECMA-ZDUSSCGKSA-N 0 0 344.846 3.134 50 0 EGAARN O=C1C(=CC2=Cc3ccccc3OC2)NC(=S)N1c1ccccc1 ZINC000101351275 284779135 /nfs/dbraw/zinc/77/91/35/284779135.db2.gz OVPFFKKVPUVTRZ-LFIBNONCSA-N 0 0 334.400 3.268 50 0 EGAARN O=C1CC2(CN1)CCN(c1ccnc3c1cccc3C(F)(F)F)CC2 ZINC000065425627 284783505 /nfs/dbraw/zinc/78/35/05/284783505.db2.gz PFZVBRONWPPKOB-UHFFFAOYSA-N 0 0 349.356 3.360 50 0 EGAARN CN(C)[C@H](C(=O)N1CCC(c2ccncc2)CC1)c1cccc(F)c1 ZINC000095366402 218299464 /nfs/dbraw/zinc/29/94/64/218299464.db2.gz BYFQFYONCIQOES-IBGZPJMESA-N 0 0 341.430 3.230 50 0 EGAARN O=C(NCc1cccnc1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000008993636 211029966 /nfs/dbraw/zinc/02/99/66/211029966.db2.gz XVBZGMFZXJUWDT-UHFFFAOYSA-N 0 0 334.404 3.412 50 0 EGAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@H]1c1cccnc1 ZINC000095363506 218296790 /nfs/dbraw/zinc/29/67/90/218296790.db2.gz DCMFCEXUDKEYIM-SFHVURJKSA-N 0 0 345.406 3.301 50 0 EGAARN Cc1cccc(C(=O)Nc2cc3c(oc2=O)CC(C)(C)CC3=O)c1 ZINC000009029321 211032140 /nfs/dbraw/zinc/03/21/40/211032140.db2.gz KVRLSFRQZKLOCY-UHFFFAOYSA-N 0 0 325.364 3.356 50 0 EGAARN CCCc1nnc(NC(=O)Cc2coc3ccc(OC)cc23)s1 ZINC000008917571 211018872 /nfs/dbraw/zinc/01/88/72/211018872.db2.gz GHABPKCTKUJFGE-UHFFFAOYSA-N 0 0 331.397 3.427 50 0 EGAARN CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000008905567 211017165 /nfs/dbraw/zinc/01/71/65/211017165.db2.gz RXEZEYKGNUQCGA-UHFFFAOYSA-N 0 0 340.423 3.491 50 0 EGAARN Cc1nc(-c2nc([C@H]3CCCN(c4ccccn4)C3)n(C)n2)cs1 ZINC000095392104 218324051 /nfs/dbraw/zinc/32/40/51/218324051.db2.gz QQJIFNZRAKCXGY-ZDUSSCGKSA-N 0 0 340.456 3.026 50 0 EGAARN Fc1ccc(OCc2nnc3sc(Cc4ccccc4)nn23)cc1 ZINC000008393374 210947404 /nfs/dbraw/zinc/94/74/04/210947404.db2.gz OPOUQEXTNGOBAO-UHFFFAOYSA-N 0 0 340.383 3.495 50 0 EGAARN CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)cc1 ZINC000008234849 210917729 /nfs/dbraw/zinc/91/77/29/210917729.db2.gz GZAZMEWHARSIDH-OFQRWUPVSA-N 0 0 332.444 3.022 50 0 EGAARN Cc1cc(Cl)cc(C)c1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000096003081 218505087 /nfs/dbraw/zinc/50/50/87/218505087.db2.gz KPCGKCDALIWJLN-GFCCVEGCSA-N 0 0 335.835 3.089 50 0 EGAARN CC[C@H](C(=O)NCCn1ccc(-c2ccccn2)n1)c1ccccc1 ZINC000096098867 218592478 /nfs/dbraw/zinc/59/24/78/218592478.db2.gz ZDEDGAKZBFABDY-KRWDZBQOSA-N 0 0 334.423 3.255 50 0 EGAARN CCOc1ccc(-c2nonc2NC(=O)c2cccc(OC)c2)cc1 ZINC000006767576 210706976 /nfs/dbraw/zinc/70/69/76/210706976.db2.gz GPMFMOKGQYSMSU-UHFFFAOYSA-N 0 0 339.351 3.396 50 0 EGAARN CCCC(=O)Nc1cccc(NC(=O)c2cccc(-n3cnnc3)c2)c1 ZINC000006703292 210686807 /nfs/dbraw/zinc/68/68/07/210686807.db2.gz UKEOSJGWWJUWSF-UHFFFAOYSA-N 0 0 349.394 3.258 50 0 EGAARN CNc1c2ccccc2oc(=O)c1NC(=O)NCCc1ccccc1 ZINC000006746783 210698953 /nfs/dbraw/zinc/69/89/53/210698953.db2.gz YZNFOZXECYLHRU-UHFFFAOYSA-N 0 0 337.379 3.199 50 0 EGAARN Cc1nc(COCC(F)(F)C(F)F)n(Cc2cccc(C)c2)n1 ZINC000096152620 218628555 /nfs/dbraw/zinc/62/85/55/218628555.db2.gz 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CCN(C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)C1CCCCC1 ZINC000005122928 210394617 /nfs/dbraw/zinc/39/46/17/210394617.db2.gz YIXCJFNIFCTHPM-HNNXBMFYSA-N 0 0 329.444 3.156 50 0 EGAARN COc1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1Cl ZINC000005015917 210362390 /nfs/dbraw/zinc/36/23/90/210362390.db2.gz WNJOMIZBVHBRDZ-CQSZACIVSA-N 0 0 345.786 3.110 50 0 EGAARN CCc1ccc(O[C@@H](C)C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 ZINC000004986510 210351842 /nfs/dbraw/zinc/35/18/42/210351842.db2.gz VFLJFVOBOUWIAZ-NSHDSACASA-N 0 0 346.452 3.432 50 0 EGAARN Cc1cc(Br)ccc1-c1ccc(CNc2nnnn2C)o1 ZINC000004999780 210355412 /nfs/dbraw/zinc/35/54/12/210355412.db2.gz GORIFYXRYVPPHP-UHFFFAOYSA-N 0 0 348.204 3.153 50 0 EGAARN Cc1cc(C)c(OC[C@H](O)Cn2cc(CO)c3ccccc32)c(C)c1 ZINC000004973708 210345432 /nfs/dbraw/zinc/34/54/32/210345432.db2.gz GJEVKYFLFCASJV-GOSISDBHSA-N 0 0 339.435 3.499 50 0 EGAARN Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000038862 208555550 /nfs/dbraw/zinc/55/55/50/208555550.db2.gz WEUBTBSNEMHGAP-UHFFFAOYSA-N 0 0 344.436 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ZINC000299757171 258075340 /nfs/dbraw/zinc/07/53/40/258075340.db2.gz NKSYHBFZOPTUFU-QGZVFWFLSA-N 0 0 327.428 3.034 50 0 EGAARN Cc1cc(NC(=O)NCc2cnc(C)cc2C)n([C@@H](C)C2CC2)n1 ZINC000299767863 258081979 /nfs/dbraw/zinc/08/19/79/258081979.db2.gz WOZJWBRIUXILRC-AWEZNQCLSA-N 0 0 327.432 3.496 50 0 EGAARN CNC(=O)CCN(C)C(=O)c1cccc(-c2ccc(SC)cc2)c1 ZINC000299767269 258082228 /nfs/dbraw/zinc/08/22/28/258082228.db2.gz JIFVJWOVZLDOEV-UHFFFAOYSA-N 0 0 342.464 3.284 50 0 EGAARN Cc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1C ZINC000052537421 132184548 /nfs/dbraw/zinc/18/45/48/132184548.db2.gz DXXAGFXACKRZSR-UHFFFAOYSA-N 0 0 341.430 3.203 50 0 EGAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(O)cc1)N(C)C3=O ZINC000004838984 292026806 /nfs/dbraw/zinc/02/68/06/292026806.db2.gz UDIFMBPZHGWIID-QGZVFWFLSA-N 0 0 335.359 3.290 50 0 EGAARN CC(C)c1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1 ZINC000004741442 135666177 /nfs/dbraw/zinc/66/61/77/135666177.db2.gz RNGDMTXKNMSMLY-UHFFFAOYSA-N 0 0 341.484 3.119 50 0 EGAARN CCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 ZINC000005136645 135670152 /nfs/dbraw/zinc/67/01/52/135670152.db2.gz RJXVGQHASBSWCJ-UHFFFAOYSA-N 0 0 344.436 3.177 50 0 EGAARN C[C@H](NC(=O)NCCc1cc(F)cc(F)c1)c1ccc2n[nH]cc2c1 ZINC000344516842 141167703 /nfs/dbraw/zinc/16/77/03/141167703.db2.gz HMBDHFWCAHJHNY-NSHDSACASA-N 0 0 344.365 3.444 50 0 EGAARN COc1c2c(c(OC)c3c1C[C@H](C)N=C3c1ccccc1)OCO2 ZINC000066091672 286188265 /nfs/dbraw/zinc/18/82/65/286188265.db2.gz SIKNQMZJFBAFPK-NSHDSACASA-N 0 0 325.364 3.215 50 0 EGAARN COc1c2c(cc3c1[C@H](c1c[nH]c4ccccc41)N(C)CC3)OCO2 ZINC000000525734 286188497 /nfs/dbraw/zinc/18/84/97/286188497.db2.gz AHATZUWZJCUFCV-SFHVURJKSA-N 0 0 336.391 3.483 50 0 biogenic EGAARN COc1ccc(CC(=O)NC(=S)Nc2c(C)cccc2C)cc1 ZINC000002883245 286298431 /nfs/dbraw/zinc/29/84/31/286298431.db2.gz WEQLBEQYMSVGBL-UHFFFAOYSA-N 0 0 328.437 3.368 50 0 EGAARN COc1cccc([C@@H]2CCCCN2C(=O)CCn2ccnc2C)c1 ZINC000077505055 286462975 /nfs/dbraw/zinc/46/29/75/286462975.db2.gz 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O=C(c1ccccc1Cl)N1CCN=C1SCc1cccnc1 ZINC000004061162 210110110 /nfs/dbraw/zinc/11/01/10/210110110.db2.gz IGELKFATYPVZML-UHFFFAOYSA-N 0 0 331.828 3.480 50 0 EGAARN CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000004056220 210109258 /nfs/dbraw/zinc/10/92/58/210109258.db2.gz HDZDHKXOCNTBFJ-NWDGAFQWSA-N 0 0 330.380 3.391 50 0 EGAARN CCN1C(=S)N=NC1c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000004050793 210109079 /nfs/dbraw/zinc/10/90/79/210109079.db2.gz SECWGRNQPWDHJN-UHFFFAOYSA-N 0 0 339.346 3.458 50 0 EGAARN COc1ccc2c(c1)NC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000066089315 215008912 /nfs/dbraw/zinc/00/89/12/215008912.db2.gz PPNKTLUVXCFFNQ-AWEZNQCLSA-N 0 0 343.379 3.195 50 0 EGAARN CCOc1cc(C=C2NC(=S)N(Cc3ccco3)C2=O)ccc1O ZINC000102004606 219179570 /nfs/dbraw/zinc/17/95/70/219179570.db2.gz POOASNOEVAHDGB-JYRVWZFOSA-N 0 0 344.392 3.053 50 0 EGAARN Cc1ccc2cc(CCNC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000003911873 210092425 /nfs/dbraw/zinc/09/24/25/210092425.db2.gz CAALLIKKOOGKIW-UHFFFAOYSA-N 0 0 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CCc1nnc(CNC(=O)Cc2c(C)[nH]c3c2cc(C)cc3C)s1 ZINC000067851339 215231120 /nfs/dbraw/zinc/23/11/20/215231120.db2.gz JWSJNYRJZCKTOG-UHFFFAOYSA-N 0 0 342.468 3.366 50 0 EGAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)c(O)c1 ZINC000067851328 215232158 /nfs/dbraw/zinc/23/21/58/215232158.db2.gz NLAQFAFIKXUGCG-GFCCVEGCSA-N 0 0 345.420 3.197 50 0 EGAARN COc1ccc(-n2ccnc2-c2nccn2CC(C)(C)OC)cc1 ZINC000067947187 215255574 /nfs/dbraw/zinc/25/55/74/215255574.db2.gz MEIGMWFIJPEABW-UHFFFAOYSA-N 0 0 326.400 3.169 50 0 EGAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3F)o2)C1 ZINC000002720326 209895176 /nfs/dbraw/zinc/89/51/76/209895176.db2.gz BHIJUSODSFVPEL-VXGBXAGGSA-N 0 0 349.431 3.472 50 0 EGAARN CCCCn1c(N)c(C(=O)N[C@H](C)CC)c2nc3ccccc3nc21 ZINC000002385323 209846132 /nfs/dbraw/zinc/84/61/32/209846132.db2.gz FPPDUZZJOMHFGY-GFCCVEGCSA-N 0 0 339.443 3.495 50 0 EGAARN CCc1ccccc1NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002113625 209820428 /nfs/dbraw/zinc/82/04/28/209820428.db2.gz 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209705159 /nfs/dbraw/zinc/70/51/59/209705159.db2.gz IXNFRZDXHXEWMW-CYBMUJFWSA-N 0 0 331.441 3.286 50 0 EGAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000001008498 209700053 /nfs/dbraw/zinc/70/00/53/209700053.db2.gz BKNVSXIWKGKZSD-ZTMOJVSCSA-N 0 0 349.408 3.073 50 0 EGAARN C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)cn1 ZINC000000998789 209699348 /nfs/dbraw/zinc/69/93/48/209699348.db2.gz UJYINBNHKABREO-LSDHHAIUSA-N 0 0 329.444 3.111 50 0 EGAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccco2)NC(=O)N1 ZINC000000862803 209693776 /nfs/dbraw/zinc/69/37/76/209693776.db2.gz LLPPMWZIDTUGLO-AWEZNQCLSA-N 0 0 331.759 3.200 50 0 EGAARN COc1ccc(CCNC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000038569975 213216599 /nfs/dbraw/zinc/21/65/99/213216599.db2.gz PERDJQAREKLBPR-LJQANCHMSA-N 0 0 340.423 3.021 50 0 EGAARN C[C@H]1Cc2cc(-c3cc(CC(=O)Nc4nccs4)no3)ccc2O1 ZINC000038498566 213212291 /nfs/dbraw/zinc/21/22/91/213212291.db2.gz GOJNJBTUSHYMEL-JTQLQIEISA-N 0 0 341.392 3.303 50 0 EGAARN COC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1C ZINC000000581752 209671408 /nfs/dbraw/zinc/67/14/08/209671408.db2.gz MRVOHJJHIIYJGI-UHFFFAOYSA-N 0 0 329.352 3.051 50 0 EGAARN Cc1cccc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)c1 ZINC000038490446 213210916 /nfs/dbraw/zinc/21/09/16/213210916.db2.gz GFTMGEUOKVTVOF-UHFFFAOYSA-N 0 0 333.435 3.299 50 0 EGAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)NC(=O)N1 ZINC000000572893 209670178 /nfs/dbraw/zinc/67/01/78/209670178.db2.gz YJZPPXWURWGPHR-MRXNPFEDSA-N 0 0 343.333 3.231 50 0 EGAARN COc1cccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000000458601 209612245 /nfs/dbraw/zinc/61/22/45/209612245.db2.gz QBRNFQCDHONWDG-UHFFFAOYSA-N 0 0 345.443 3.353 50 0 EGAARN Cc1c2c(nn1-c1ccccc1)c(NCc1cccnc1)nnc2C ZINC000036646281 213107707 /nfs/dbraw/zinc/10/77/07/213107707.db2.gz YLQZGXFJOAPVDT-UHFFFAOYSA-N 0 0 330.395 3.439 50 0 EGAARN CC[C@@H](NC(=O)c1nc2ncccn2n1)c1ccc(C(C)(C)C)cc1 ZINC000036618789 213103839 /nfs/dbraw/zinc/10/38/39/213103839.db2.gz LUOZIWURNUGWAO-OAHLLOKOSA-N 0 0 337.427 3.303 50 0 EGAARN O=C(CN1CCCCCCC1=O)Nc1ccc(Br)cc1 ZINC000036395567 213097425 /nfs/dbraw/zinc/09/74/25/213097425.db2.gz IAFYFMQJYYHRLS-UHFFFAOYSA-N 0 0 339.233 3.180 50 0 EGAARN Cc1csc(NC(=O)CCCn2sc3ccccc3c2=O)n1 ZINC000036360554 213089491 /nfs/dbraw/zinc/08/94/91/213089491.db2.gz YXLQGNLMGOGWDU-UHFFFAOYSA-N 0 0 333.438 3.247 50 0 EGAARN CC[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 ZINC000000442434 209601458 /nfs/dbraw/zinc/60/14/58/209601458.db2.gz YCDJTJSABMPTOE-JTQLQIEISA-N 0 0 329.425 3.009 50 0 EGAARN COc1ccc(NC(=O)N2CCC[C@H]2c2cc(C)no2)cc1OC ZINC000035511345 213034834 /nfs/dbraw/zinc/03/48/34/213034834.db2.gz CPWAAIFXZIQZLS-ZDUSSCGKSA-N 0 0 331.372 3.369 50 0 EGAARN CC(C)c1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1 ZINC000034917727 213000162 /nfs/dbraw/zinc/00/01/62/213000162.db2.gz GSTDFVIXKGSZNK-OAHLLOKOSA-N 0 0 326.396 3.072 50 0 EGAARN O=C(c1ncccc1O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071735507 215800014 /nfs/dbraw/zinc/80/00/14/215800014.db2.gz ARKYVVYPXGEWBY-OAHLLOKOSA-N 0 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Cc1cccc(-c2n[nH]cc2C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000072329115 216153993 /nfs/dbraw/zinc/15/39/93/216153993.db2.gz UCAQKWGUHYRTCU-UHFFFAOYSA-N 0 0 335.363 3.044 50 0 EGAARN COC(=O)CC1CCN(C(=O)Cn2ccc3c2cccc3Cl)CC1 ZINC000072403947 216195980 /nfs/dbraw/zinc/19/59/80/216195980.db2.gz ULUATYFFBLEKCX-UHFFFAOYSA-N 0 0 348.830 3.096 50 0 EGAARN O=C(Nc1nnc(C2CCCC2)s1)c1cc(=O)[nH]c2ccccc21 ZINC000072403393 216194843 /nfs/dbraw/zinc/19/48/43/216194843.db2.gz ADRLWPFYAYOLEX-UHFFFAOYSA-N 0 0 340.408 3.290 50 0 EGAARN CCOC(=O)[C@H]1[C@H](C(=O)OCC)C1(c1ccccc1)c1ccccc1 ZINC000000137039 209443420 /nfs/dbraw/zinc/44/34/20/209443420.db2.gz FSKSQJITDFTKST-QZTJIDSGSA-N 0 0 338.403 3.345 50 0 EGAARN CC(C)n1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072410338 216202034 /nfs/dbraw/zinc/20/20/34/216202034.db2.gz QJBMNVMAZOVJIU-CQSZACIVSA-N 0 0 337.427 3.360 50 0 EGAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 ZINC000000132109 209440074 /nfs/dbraw/zinc/44/00/74/209440074.db2.gz 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/nfs/dbraw/zinc/20/95/25/216209525.db2.gz WOYSJTQWBWGEFY-HNNXBMFYSA-N 0 0 343.475 3.416 50 0 EGAARN COCc1noc(Cn2ccnc2-c2ccccc2C(F)(F)F)n1 ZINC000072422980 216211851 /nfs/dbraw/zinc/21/18/51/216211851.db2.gz TWZGFRNXKYDKOG-UHFFFAOYSA-N 0 0 338.289 3.147 50 0 EGAARN Cc1csc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)n1 ZINC000000052106 209391625 /nfs/dbraw/zinc/39/16/25/209391625.db2.gz LLMDFIFDGHHOQE-ZDUSSCGKSA-N 0 0 331.397 3.053 50 0 EGAARN CCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12 ZINC000000051407 209390950 /nfs/dbraw/zinc/39/09/50/209390950.db2.gz JDRLHXGEORDYKF-UHFFFAOYSA-N 0 0 331.393 3.310 50 0 EGAARN COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000000051280 209390744 /nfs/dbraw/zinc/39/07/44/209390744.db2.gz JQMQPVOEKCAICC-UHFFFAOYSA-N 0 0 342.376 3.345 50 0 EGAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 ZINC000000044730 209388270 /nfs/dbraw/zinc/38/82/70/209388270.db2.gz FBAJLXCZWRPUQN-ZDUSSCGKSA-N 0 0 342.370 3.216 50 0 EGAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 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EGAARN Cc1cnc(NCc2cccc(N3CCCC3)c2)nc1-c1cnn(C)c1 ZINC000023542142 212380882 /nfs/dbraw/zinc/38/08/82/212380882.db2.gz VNTDOEIIOZBASI-UHFFFAOYSA-N 0 0 348.454 3.398 50 0 EGAARN Cc1[nH]n(-c2ccccc2C)c2nc(-c3ccc(OCCO)cc3)nc1-2 ZINC000023505145 212380617 /nfs/dbraw/zinc/38/06/17/212380617.db2.gz JTVMZURHSCXFDV-UHFFFAOYSA-N 0 0 348.406 3.404 50 0 EGAARN CCNC(=O)c1ccc2c(c1)nc1n2CCN([C@@H](C)c2ccccc2)C1 ZINC000023411485 212375457 /nfs/dbraw/zinc/37/54/57/212375457.db2.gz RNFALXMMCYIHOP-HNNXBMFYSA-N 0 0 348.450 3.363 50 0 EGAARN C[C@H]1c2ccsc2CCN1C(=O)NC(=O)c1cccnc1Cl ZINC000000159723 291324983 /nfs/dbraw/zinc/32/49/83/291324983.db2.gz AZRMDXPINRAULC-VIFPVBQESA-N 0 0 335.816 3.266 50 0 EGAARN O=S(=O)(Cc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000023126264 212350611 /nfs/dbraw/zinc/35/06/11/212350611.db2.gz VDXKBGVJFHVSCZ-UHFFFAOYSA-N 0 0 334.784 3.364 50 0 EGAARN CCOc1ccc(-c2noc(CS(=O)(=O)c3ccccc3)n2)cc1 ZINC000023125824 212350485 /nfs/dbraw/zinc/35/04/85/212350485.db2.gz OCYOEVMBFHTHAN-UHFFFAOYSA-N 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/nfs/dbraw/zinc/15/71/86/241157186.db2.gz PBSQXWQTVFTVFP-QGZVFWFLSA-N 0 0 336.443 3.132 50 0 EGAARN Cc1cc(C(=O)N(CCCn2ccnc2)Cc2cccnc2)cc(C)n1 ZINC000216391171 241188510 /nfs/dbraw/zinc/18/85/10/241188510.db2.gz BHMQSOSYYIXSTA-UHFFFAOYSA-N 0 0 349.438 3.023 50 0 EGAARN COc1ccccc1-c1ccc(C(=O)N(C)Cc2nnc(C)o2)cc1 ZINC000215393141 241122809 /nfs/dbraw/zinc/12/28/09/241122809.db2.gz IRPQIZULLYDCPD-UHFFFAOYSA-N 0 0 337.379 3.326 50 0 EGAARN COc1ccccc1N1CCN(Cc2ccncc2Cl)[C@H](C)C1 ZINC000215366701 241123857 /nfs/dbraw/zinc/12/38/57/241123857.db2.gz BWDMDOUKWWOVLT-CQSZACIVSA-N 0 0 331.847 3.454 50 0 EGAARN CCn1nccc1C(=O)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000215501071 241129816 /nfs/dbraw/zinc/12/98/16/241129816.db2.gz NUGNOUBDOTZGTM-WGLAMXGCSA-N 0 0 339.439 3.238 50 0 EGAARN CSCCC(=O)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215674715 241137801 /nfs/dbraw/zinc/13/78/01/241137801.db2.gz QVTATFIASIVLQV-UHFFFAOYSA-N 0 0 335.860 3.368 50 0 EGAARN CN1CCN(Cc2cccc(C(=O)c3ccc(F)c(Cl)c3)c2)CC1 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452931554 /nfs/dbraw/zinc/93/15/54/452931554.db2.gz WDHKZYTVZDHCTI-UHFFFAOYSA-N 0 0 346.408 3.299 50 0 EGAARN CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000006348288 452937483 /nfs/dbraw/zinc/93/74/83/452937483.db2.gz YKXISNFOSFVLIX-UHFFFAOYSA-N 0 0 346.770 3.094 50 0 EGAARN Cc1ccc(OCCOCCn2ccnc2)c(Br)c1 ZINC000006404397 452940627 /nfs/dbraw/zinc/94/06/27/452940627.db2.gz KVIGECCKMZMBIP-UHFFFAOYSA-N 0 0 325.206 3.050 50 0 EGAARN CCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2c1CCCC2 ZINC000006493378 452947217 /nfs/dbraw/zinc/94/72/17/452947217.db2.gz ORIDKXJDSWYZJG-UHFFFAOYSA-N 0 0 344.386 3.234 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1F ZINC000006537650 452950769 /nfs/dbraw/zinc/95/07/69/452950769.db2.gz YAJHYRFQBDCDML-UHFFFAOYSA-N 0 0 337.734 3.283 50 0 EGAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000006596319 452958191 /nfs/dbraw/zinc/95/81/91/452958191.db2.gz ZOKHWIZIHCNEMA-CYBMUJFWSA-N 0 0 347.484 3.059 50 0 EGAARN CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc[nH]2)N3)C1 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COCc1ccc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC000015077823 453555226 /nfs/dbraw/zinc/55/52/26/453555226.db2.gz JAUNRLCVRYCEGZ-HNNXBMFYSA-N 0 0 349.427 3.117 50 0 EGAARN CCc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000015634041 453581046 /nfs/dbraw/zinc/58/10/46/453581046.db2.gz GIJJERDIRUKYGF-UHFFFAOYSA-N 0 0 333.391 3.157 50 0 biogenic EGAARN CCCCOc1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000015835106 453586228 /nfs/dbraw/zinc/58/62/28/453586228.db2.gz JBRMVVYCUHSTOG-UHFFFAOYSA-N 0 0 337.383 3.094 50 0 EGAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)o1 ZINC000015860389 453587538 /nfs/dbraw/zinc/58/75/38/453587538.db2.gz COZZVSPTYQPGOE-INIZCTEOSA-N 0 0 339.395 3.276 50 0 EGAARN Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N(C)C)o1 ZINC000015860102 453587668 /nfs/dbraw/zinc/58/76/68/453587668.db2.gz KXOAGFBORNQZOE-OAHLLOKOSA-N 0 0 336.819 3.039 50 0 EGAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)NC(C)C)o1 ZINC000015881472 453588778 /nfs/dbraw/zinc/58/87/78/453588778.db2.gz 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331.422 3.456 50 0 EGAARN O=C(NCc1ccc(F)cc1)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000003908158 210091795 /nfs/dbraw/zinc/09/17/95/210091795.db2.gz ROMMMCGVOVHEEA-UHFFFAOYSA-N 0 0 340.310 3.139 50 0 EGAARN CCOC(=O)c1sc(NC(=O)CCOc2ccccc2)nc1C ZINC000003892395 210085157 /nfs/dbraw/zinc/08/51/57/210085157.db2.gz SQWZDOTZCMWIKY-UHFFFAOYSA-N 0 0 334.397 3.036 50 0 EGAARN CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NCCc1ccccc1 ZINC000003895754 210086509 /nfs/dbraw/zinc/08/65/09/210086509.db2.gz LEUGMHAKTSUXIG-IBGZPJMESA-N 0 0 344.499 3.457 50 0 EGAARN C[C@H](O)CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000102120494 219187446 /nfs/dbraw/zinc/18/74/46/219187446.db2.gz BVEWTXCYPFBRLS-VIFPVBQESA-N 0 0 349.843 3.406 50 0 EGAARN COCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000003627270 210069126 /nfs/dbraw/zinc/06/91/26/210069126.db2.gz SXIFJYDKQDRSIW-CYBMUJFWSA-N 0 0 345.370 3.178 50 0 EGAARN CCOc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1 ZINC000003618562 210067570 /nfs/dbraw/zinc/06/75/70/210067570.db2.gz 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CCOc1ccccc1C(=O)N[C@@H](c1cccnc1)C1CCOCC1 ZINC000225617750 241953585 /nfs/dbraw/zinc/95/35/85/241953585.db2.gz PQYAFHIMWCZCAV-LJQANCHMSA-N 0 0 340.423 3.378 50 0 EGAARN O=C(Cn1cnc2ccccc21)NCc1ccc(-c2ccco2)nc1 ZINC000225752267 242018223 /nfs/dbraw/zinc/01/82/23/242018223.db2.gz OCCKFUFNSDWWIA-UHFFFAOYSA-N 0 0 332.363 3.008 50 0 EGAARN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1 ZINC000021322150 212221049 /nfs/dbraw/zinc/22/10/49/212221049.db2.gz SBARQHAMCBNWFQ-SFHVURJKSA-N 0 0 342.439 3.127 50 0 biogenic EGAARN C[C@@H](NC(=S)NC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000004576620 296109645 /nfs/dbraw/zinc/10/96/45/296109645.db2.gz DCWNXOVAGSEPBI-HDPALTEOSA-N 0 0 332.469 3.489 50 0 EGAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000020869021 212180462 /nfs/dbraw/zinc/18/04/62/212180462.db2.gz LEBVFTWGQBPCBB-QGZVFWFLSA-N 0 0 336.863 3.057 50 0 EGAARN Cc1cc(C)n(CCC(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)n1 ZINC000243893788 243028793 /nfs/dbraw/zinc/02/87/93/243028793.db2.gz 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CC(=O)c1ccc(N2CCN(Cc3c(F)cccc3F)CC2)cc1 ZINC000055291905 132194338 /nfs/dbraw/zinc/19/43/38/132194338.db2.gz SOBFMMMTOACXEM-UHFFFAOYSA-N 0 0 330.378 3.490 50 0 EGAARN Cc1ccccc1N1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000055211367 132194430 /nfs/dbraw/zinc/19/44/30/132194430.db2.gz KSZITAHCVCUNHT-UHFFFAOYSA-N 0 0 343.858 3.409 50 0 EGAARN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCN(c2ccccc2)CC1 ZINC000055564308 132196261 /nfs/dbraw/zinc/19/62/61/132196261.db2.gz FFTYJPHKCMXDLW-AWEZNQCLSA-N 0 0 345.393 3.114 50 0 EGAARN c1ccc2c(c1)CCN(c1nccc(-c3ccc4c(c3)OCO4)n1)C2 ZINC000067320856 132811640 /nfs/dbraw/zinc/81/16/40/132811640.db2.gz QHQAHKISQRTRIE-UHFFFAOYSA-N 0 0 331.375 3.435 50 0 EGAARN O=C(NC1CC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000067323938 135615988 /nfs/dbraw/zinc/61/59/88/135615988.db2.gz XHKJPXRGBPINOQ-UHFFFAOYSA-N 0 0 338.411 3.151 50 0 EGAARN COc1ccc(NC(=O)[C@]2(C)Cc3ccc(Cl)cc3C(=O)O2)cc1 ZINC000011690036 286335170 /nfs/dbraw/zinc/33/51/70/286335170.db2.gz NASAVYBNHNILRD-SFHVURJKSA-N 0 0 345.782 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276294666 /nfs/dbraw/zinc/29/46/66/276294666.db2.gz AGAJGRSMXOTQQY-UHFFFAOYSA-N 0 0 344.802 3.396 50 0 EGAARN CCO[C@H]1COC[C@@H]1NC(=O)c1oc2c(cc(C)cc2Cl)c1C ZINC000077355842 276487176 /nfs/dbraw/zinc/48/71/76/276487176.db2.gz WZLOFKNPPIUYRR-KBPBESRZSA-N 0 0 337.803 3.237 50 0 EGAARN CC(=O)Oc1cc2oc3c(c2cc1OC(C)=O)C(=O)CC(C)(C)C3 ZINC000003201311 277094221 /nfs/dbraw/zinc/09/42/21/277094221.db2.gz SILVINCPVWHVCR-UHFFFAOYSA-N 0 0 330.336 3.439 50 0 EGAARN COC(=O)c1cc(-c2ccco2)nc2c1c(=O)[nH]c(=S)n2C(C)C ZINC000036617087 277148868 /nfs/dbraw/zinc/14/88/68/277148868.db2.gz YDCFQHYOSIUQEP-UHFFFAOYSA-N 0 0 345.380 3.082 50 0 EGAARN CC(C)CN1C(=O)[C@]2(CC(=O)Nc3n[nH]cc32)c2cccc(Cl)c21 ZINC000031808875 277382032 /nfs/dbraw/zinc/38/20/32/277382032.db2.gz LLQUBBOZLWZCGL-QGZVFWFLSA-N 0 0 344.802 3.344 50 0 EGAARN COc1cccc(N2CCn3c(nc4cc(NC(C)=O)ccc43)C2)c1 ZINC000013736064 277456044 /nfs/dbraw/zinc/45/60/44/277456044.db2.gz OIHBRXWGAWFMGX-UHFFFAOYSA-N 0 0 336.395 3.024 50 0 EGAARN CC(C)c1c(C(=O)NC2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000079023756 278004583 /nfs/dbraw/zinc/00/45/83/278004583.db2.gz PJDBRXOLVJLWSF-UHFFFAOYSA-N 0 0 331.391 3.044 50 0 EGAARN CC(C)c1cc(N[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1 ZINC000095377949 278020418 /nfs/dbraw/zinc/02/04/18/278020418.db2.gz IUROZTMEGLNGMY-CYBMUJFWSA-N 0 0 330.457 3.378 50 0 EGAARN COc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C ZINC000033088876 278058143 /nfs/dbraw/zinc/05/81/43/278058143.db2.gz VCAMYOXNPWEQRA-LBPRGKRZSA-N 0 0 334.375 3.380 50 0 EGAARN CC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c(C)n[nH]c2C[C@]1(C)O ZINC000016949719 278232049 /nfs/dbraw/zinc/23/20/49/278232049.db2.gz XPMYEYOFCXBPOL-ZCNNSNEGSA-N 0 0 326.440 3.486 50 0 EGAARN CC1(C)CN(C(=O)CSC23CC4CC(CC(C4)C2)C3)C[C@@]1(C)O ZINC000091381314 278299109 /nfs/dbraw/zinc/29/91/09/278299109.db2.gz ABVZJHYZKZXTDE-DKENDCILSA-N 0 0 337.529 3.308 50 0 EGAARN CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1 ZINC000003183400 278649305 /nfs/dbraw/zinc/64/93/05/278649305.db2.gz 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OBMLEUYXUNERDP-JKSUJKDBSA-N 0 0 348.493 3.463 50 0 EGAARN FC(F)(F)C(F)(F)c1nnc2ccc(N3CCCCCC3)nn21 ZINC000000103125 452508140 /nfs/dbraw/zinc/50/81/40/452508140.db2.gz WYFTYCKGNDZCOB-UHFFFAOYSA-N 0 0 335.280 3.159 50 0 EGAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(=S)N1C ZINC000000104284 452509136 /nfs/dbraw/zinc/50/91/36/452509136.db2.gz UQISRMLDVLFQCW-QGZVFWFLSA-N 0 0 337.448 3.460 50 0 EGAARN COc1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000000117740 452512758 /nfs/dbraw/zinc/51/27/58/452512758.db2.gz FPRPNPZJEMPFHG-UHFFFAOYSA-N 0 0 343.379 3.278 50 0 EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccccc1 ZINC000000116570 452512964 /nfs/dbraw/zinc/51/29/64/452512964.db2.gz QSGBDCUZLUVKHI-UHFFFAOYSA-N 0 0 330.340 3.134 50 0 biogenic EGAARN Cc1cc(Cl)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000000122586 452513845 /nfs/dbraw/zinc/51/38/45/452513845.db2.gz NMLULAMQTRJVNX-UHFFFAOYSA-N 0 0 343.766 3.240 50 0 EGAARN COc1ccc(NC(=O)CCCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000000143588 452519399 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Cc1coc2cc3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc12 ZINC000004084250 210116769 /nfs/dbraw/zinc/11/67/69/210116769.db2.gz LKBNGEQSWWXHSY-UHFFFAOYSA-N 0 0 325.364 3.367 50 0 biogenic EGAARN Cc1nn(CCOc2ccccc2)c(=O)n1-c1cccc(Cl)c1 ZINC000004072914 210113852 /nfs/dbraw/zinc/11/38/52/210113852.db2.gz GZTFPOPZIZTTNL-UHFFFAOYSA-N 0 0 329.787 3.075 50 0 EGAARN CCCn1cc(SCC(=O)NC[C@@H]2CCCO2)c2ccccc21 ZINC000004060579 210110567 /nfs/dbraw/zinc/11/05/67/210110567.db2.gz JOCDWCXUGAQYOI-AWEZNQCLSA-N 0 0 332.469 3.439 50 0 EGAARN O=C(COc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004033034 210105097 /nfs/dbraw/zinc/10/50/97/210105097.db2.gz NKHKKPPGUFVICA-UHFFFAOYSA-N 0 0 344.374 3.414 50 0 EGAARN Cc1ccc2cc(CCNC(=O)CCC3CCCC3)c(=O)[nH]c2c1 ZINC000004032845 210104689 /nfs/dbraw/zinc/10/46/89/210104689.db2.gz NDWXBUFRLVZHGQ-UHFFFAOYSA-N 0 0 326.440 3.466 50 0 EGAARN CCCC(CCC)C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O ZINC000003911792 210092935 /nfs/dbraw/zinc/09/29/35/210092935.db2.gz RSKLWWDNZCTHTK-UHFFFAOYSA-N 0 0 344.455 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3.169 50 0 EGAARN CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003400378 210028764 /nfs/dbraw/zinc/02/87/64/210028764.db2.gz RHFSUEZWGPGXKJ-UHFFFAOYSA-N 0 0 332.787 3.202 50 0 EGAARN COC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 ZINC000102718106 219224261 /nfs/dbraw/zinc/22/42/61/219224261.db2.gz JOPFHRBZILHBJZ-UHFFFAOYSA-N 0 0 343.408 3.313 50 0 EGAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)c(Cl)c1 ZINC000003386366 210025560 /nfs/dbraw/zinc/02/55/60/210025560.db2.gz RZLDEOLPLLTFJC-UHFFFAOYSA-N 0 0 331.755 3.256 50 0 EGAARN COc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1OC ZINC000003385908 210023804 /nfs/dbraw/zinc/02/38/04/210023804.db2.gz QPCOLPQVFFHGKN-UHFFFAOYSA-N 0 0 349.770 3.153 50 0 EGAARN O=C1C[C@H](c2noc(-c3ccncc3)n2)CN1[C@H]1CCc2ccccc21 ZINC000044430116 213623225 /nfs/dbraw/zinc/62/32/25/213623225.db2.gz HQBUVTJLRLELSW-RDJZCZTQSA-N 0 0 346.390 3.135 50 0 EGAARN CCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2cccc(OC)c2)cc1 ZINC000067197878 215122864 /nfs/dbraw/zinc/12/28/64/215122864.db2.gz 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/nfs/dbraw/zinc/21/28/85/215212885.db2.gz XZTFHZAXYSIHGN-KRWDZBQOSA-N 0 0 349.419 3.135 50 0 EGAARN CCc1c[nH]nc1C1CCN(C(=O)c2cnc(C(C)C)nc2C)CC1 ZINC000067817639 215220551 /nfs/dbraw/zinc/22/05/51/215220551.db2.gz CSGZVMYELQLSNC-UHFFFAOYSA-N 0 0 341.459 3.214 50 0 EGAARN COc1cccc(-c2n[nH]cc2-c2nc(C)nn2-c2ccccn2)c1 ZINC000067871422 215236727 /nfs/dbraw/zinc/23/67/27/215236727.db2.gz OIMWRELSGGOQNW-UHFFFAOYSA-N 0 0 332.367 3.036 50 0 EGAARN CCCC1=Nc2nc(C)nn2[C@H](c2ccc(F)cc2)C1C(=O)OCC ZINC000014163354 282630568 /nfs/dbraw/zinc/63/05/68/282630568.db2.gz QQBRCAQEYGVTIG-MRXNPFEDSA-N 0 0 344.390 3.358 50 0 EGAARN CCCn1cnnc1Cn1cnc(-c2ccccc2)c1-c1cc(C)[nH]n1 ZINC000067920106 215249322 /nfs/dbraw/zinc/24/93/22/215249322.db2.gz VVTGJWLECNVKNH-UHFFFAOYSA-N 0 0 347.426 3.298 50 0 EGAARN O=C(NCCn1cc([C@H]2CC=CCC2)nn1)c1ccccc1Cl ZINC000067947569 215256028 /nfs/dbraw/zinc/25/60/28/215256028.db2.gz TYKRJRPYZHEILU-ZDUSSCGKSA-N 0 0 330.819 3.185 50 0 EGAARN O=c1[nH]nc(CCC(F)(F)F)n1Cc1ccc(Cl)cc1Cl ZINC000067921514 215250945 /nfs/dbraw/zinc/25/09/45/215250945.db2.gz CMULOMGBZWLFQJ-UHFFFAOYSA-N 0 0 340.132 3.421 50 0 EGAARN Cc1nnsc1CNC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C ZINC000067934604 215252779 /nfs/dbraw/zinc/25/27/79/215252779.db2.gz LPIUKACYDNNZLT-UHFFFAOYSA-N 0 0 328.441 3.112 50 0 EGAARN OCCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067935400 215254631 /nfs/dbraw/zinc/25/46/31/215254631.db2.gz XIIKCQUPXHIKJO-UHFFFAOYSA-N 0 0 334.419 3.205 50 0 EGAARN CC1=C(Cc2cn(CCc3nnc(N)s3)nn2)C(C)(C)CCC1 ZINC000067966070 215262471 /nfs/dbraw/zinc/26/24/71/215262471.db2.gz ARIAASZDLLUTPX-UHFFFAOYSA-N 0 0 332.477 3.024 50 0 EGAARN Cc1ccccc1Cn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 ZINC000002757036 209903579 /nfs/dbraw/zinc/90/35/79/209903579.db2.gz YRIQWEONMMMKCK-UHFFFAOYSA-N 0 0 335.363 3.221 50 0 EGAARN CCOC(=O)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002746990 209901081 /nfs/dbraw/zinc/90/10/81/209901081.db2.gz NLFRAAXHZHPKGT-KRWDZBQOSA-N 0 0 329.421 3.199 50 0 EGAARN CCc1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)cc1 ZINC000002706571 209893181 /nfs/dbraw/zinc/89/31/81/209893181.db2.gz HCSPOWQTNQOWQN-UHFFFAOYSA-N 0 0 336.391 3.211 50 0 EGAARN CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccn1 ZINC000002542414 209865198 /nfs/dbraw/zinc/86/51/98/209865198.db2.gz KKGJPWXIMGIFTJ-UHFFFAOYSA-N 0 0 342.399 3.474 50 0 EGAARN CCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccnc1 ZINC000041095677 213415935 /nfs/dbraw/zinc/41/59/35/213415935.db2.gz RGOZUVXADLLDCT-UHFFFAOYSA-N 0 0 334.441 3.082 50 0 EGAARN CCOC(=O)c1c2cc(OS(C)(=O)=O)ccc2oc1C(C)(C)C ZINC000002319955 209840195 /nfs/dbraw/zinc/84/01/95/209840195.db2.gz AAXHBHPQPNRFAS-UHFFFAOYSA-N 0 0 340.397 3.245 50 0 biogenic EGAARN COc1ncnc2c1CN(Cc1csc(-c3ccccc3)n1)CC2 ZINC000069393685 215399547 /nfs/dbraw/zinc/39/95/47/215399547.db2.gz QJBSUBWFUHEQNE-UHFFFAOYSA-N 0 0 338.436 3.167 50 0 EGAARN CN1CCC[C@]2(CCN(C(=O)c3cc4c(s3)CCCCC4)C2)C1=O ZINC000012595293 282880360 /nfs/dbraw/zinc/88/03/60/282880360.db2.gz MINJOVMUUCJSFN-LJQANCHMSA-N 0 0 346.496 3.102 50 0 EGAARN COCc1nn2c(ncc3c2ccn(C2CC2)c3=O)c1-c1ccccc1 ZINC000040396414 213297929 /nfs/dbraw/zinc/29/79/29/213297929.db2.gz WBMNCTXDIAPPIC-UHFFFAOYSA-N 0 0 346.390 3.193 50 0 EGAARN Cc1nc(NCc2ccccc2)sc1C(=O)NCc1cccnc1 ZINC000040266743 213286359 /nfs/dbraw/zinc/28/63/59/213286359.db2.gz HDODXKYGBVRFHG-UHFFFAOYSA-N 0 0 338.436 3.389 50 0 EGAARN C(=C/c1ccccc1)\c1nn2c(CN3CCCCC3)nnc2s1 ZINC000039389247 213236441 /nfs/dbraw/zinc/23/64/41/213236441.db2.gz NDWXJZBLKMUHMH-MDZDMXLPSA-N 0 0 325.441 3.342 50 0 EGAARN COC(=O)[C@H](C)Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1 ZINC000001405712 209743069 /nfs/dbraw/zinc/74/30/69/209743069.db2.gz CAPQLPZSOFKCDO-ZDUSSCGKSA-N 0 0 335.363 3.146 50 0 EGAARN COc1ccc(CC(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1 ZINC000038932718 213230638 /nfs/dbraw/zinc/23/06/38/213230638.db2.gz UTHOPCNVALQVKU-UHFFFAOYSA-N 0 0 327.315 3.066 50 0 EGAARN COC(=O)c1cc2c(ccn([C@H](C)c3ccc(F)cc3)c2=O)nc1C ZINC000038784288 213225727 /nfs/dbraw/zinc/22/57/27/213225727.db2.gz XOBGYIJHEGJLEU-GFCCVEGCSA-N 0 0 340.354 3.240 50 0 EGAARN CN(C)c1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000038591797 213216057 /nfs/dbraw/zinc/21/60/57/213216057.db2.gz IGVQDCNRXUMEJE-UHFFFAOYSA-N 0 0 338.451 3.231 50 0 EGAARN O=C(NCc1cccs1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000000614569 209680310 /nfs/dbraw/zinc/68/03/10/209680310.db2.gz YNUKRPNOWTUJJW-CYBMUJFWSA-N 0 0 338.791 3.350 50 0 EGAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000000556246 209662600 /nfs/dbraw/zinc/66/26/00/209662600.db2.gz JKOAUBUHNDIZSI-UHFFFAOYSA-N 0 0 347.440 3.407 50 0 EGAARN CC(C)[C@@H]1C[C@](CCN2C(=O)CCC2=O)(c2ccccc2)CCO1 ZINC000000488003 209630978 /nfs/dbraw/zinc/63/09/78/209630978.db2.gz JVBTXUMSCPADEF-FXAWDEMLSA-N 0 0 329.440 3.299 50 0 biogenic EGAARN CCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000037022080 213130041 /nfs/dbraw/zinc/13/00/41/213130041.db2.gz CBCGSRXZDVYPHO-UHFFFAOYSA-N 0 0 347.061 3.444 50 0 EGAARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc2c(s1)CCCC2 ZINC000000473447 209623791 /nfs/dbraw/zinc/62/37/91/209623791.db2.gz VYGIQWDNUOQDEX-SOFGYWHQSA-N 0 0 328.393 3.403 50 0 EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000000461873 209615829 /nfs/dbraw/zinc/61/58/29/209615829.db2.gz FIVUFCWDDNEQGL-UHFFFAOYSA-N 0 0 343.379 3.360 50 0 EGAARN CCOc1ccc(-c2nnc(NC(=O)Cc3cccs3)o2)cc1 ZINC000036662974 213108663 /nfs/dbraw/zinc/10/86/63/213108663.db2.gz KJUGXDRDNIMZLY-UHFFFAOYSA-N 0 0 329.381 3.378 50 0 EGAARN Cc1nc(CSc2ccc3nnc(-c4ccccn4)n3n2)cs1 ZINC000036651846 213107079 /nfs/dbraw/zinc/10/70/79/213107079.db2.gz UEBPAKXVQTXBKI-UHFFFAOYSA-N 0 0 340.437 3.244 50 0 EGAARN COCCCNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c21 ZINC000036618385 213103675 /nfs/dbraw/zinc/10/36/75/213103675.db2.gz VGFZPXUGTCGLEW-UHFFFAOYSA-N 0 0 343.358 3.104 50 0 EGAARN O=C(Cn1ccc2ccc(Br)cc21)Nc1nccs1 ZINC000036360905 213091211 /nfs/dbraw/zinc/09/12/11/213091211.db2.gz HXJSRGMPEKHYJN-UHFFFAOYSA-N 0 0 336.214 3.499 50 0 EGAARN CCC(=O)N1CCC(C(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000035655474 213043787 /nfs/dbraw/zinc/04/37/87/213043787.db2.gz FOCPOEQPUKNBIZ-UHFFFAOYSA-N 0 0 331.441 3.192 50 0 EGAARN CC[C@](C)(NCc1ccccc1)c1nnnn1-c1ccc(OC)cc1 ZINC000035622191 213042808 /nfs/dbraw/zinc/04/28/08/213042808.db2.gz BEQLWFCACYYJNI-IBGZPJMESA-N 0 0 337.427 3.086 50 0 EGAARN Cc1[nH]c2c(cc(C)cc2CNc2cncc(C(=O)N(C)C)n2)c1C ZINC000071638859 215791503 /nfs/dbraw/zinc/79/15/03/215791503.db2.gz VSVIERAWLVXDKD-UHFFFAOYSA-N 0 0 337.427 3.197 50 0 EGAARN CC(C)C(=O)N1CCC(c2nn3c(nnc3C3CCCC3)s2)CC1 ZINC000071750822 215807633 /nfs/dbraw/zinc/80/76/33/215807633.db2.gz PHPCDQJTVSARGP-UHFFFAOYSA-N 0 0 347.488 3.205 50 0 EGAARN COc1ccc2cc([C@H]3CN(C(=O)c4cccnc4)CCO3)ccc2c1 ZINC000071762841 215817307 /nfs/dbraw/zinc/81/73/07/215817307.db2.gz QKZLKXWVTMVGRP-HXUWFJFHSA-N 0 0 348.402 3.457 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)c1cn(C)c2ccccc2c1=O ZINC000032497095 212804992 /nfs/dbraw/zinc/80/49/92/212804992.db2.gz GHDLEVHMQPHATC-UHFFFAOYSA-N 0 0 342.782 3.453 50 0 EGAARN Cc1cc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2O)cc(C)c1Cl ZINC000072116052 216011414 /nfs/dbraw/zinc/01/14/14/216011414.db2.gz BHCAOJHGWOPZTI-KBMXLJTQSA-N 0 0 339.863 3.486 50 0 EGAARN O=C1CN(Cc2cc3ccccc3o2)CCN1Cc1cccc(F)c1 ZINC000072128993 216019739 /nfs/dbraw/zinc/01/97/39/216019739.db2.gz QDHVGNQDXFYOQS-UHFFFAOYSA-N 0 0 338.382 3.416 50 0 EGAARN C[C@@H](CNc1cc(-c2ccccc2F)nc2ccnn21)n1ccnc1 ZINC000072121622 216014065 /nfs/dbraw/zinc/01/40/65/216014065.db2.gz AWLMMWDHZRFDFT-ZDUSSCGKSA-N 0 0 336.374 3.405 50 0 EGAARN CC(C)Cn1cncc1CNc1nc(C(C)(C)C)nc2c1cnn2C ZINC000072122460 216015557 /nfs/dbraw/zinc/01/55/57/216015557.db2.gz VLXQTRPRCOZOFO-UHFFFAOYSA-N 0 0 341.463 3.125 50 0 EGAARN COc1cc2c(cc1CN1CC(Oc3ccccc3C)C1)OCCO2 ZINC000072130706 216021227 /nfs/dbraw/zinc/02/12/27/216021227.db2.gz XNASWEHLBSQYAS-UHFFFAOYSA-N 0 0 341.407 3.038 50 0 EGAARN Cn1ccnc1CC[C@H]1CCCCN1C(=O)NCc1cccc(F)c1 ZINC000072143216 216028657 /nfs/dbraw/zinc/02/86/57/216028657.db2.gz QATGQIGMDJBIIV-QGZVFWFLSA-N 0 0 344.434 3.256 50 0 EGAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)[nH]n1 ZINC000072146140 216031696 /nfs/dbraw/zinc/03/16/96/216031696.db2.gz DFZVZJZYFBIWHX-MRXNPFEDSA-N 0 0 344.434 3.464 50 0 EGAARN CCCc1cnc(C)nc1N1CCC2(CC1)c1ccccc1NC2=O ZINC000072150271 216038692 /nfs/dbraw/zinc/03/86/92/216038692.db2.gz MVLUIUMSJAAPKG-UHFFFAOYSA-N 0 0 336.439 3.228 50 0 EGAARN Cc1oc(-c2cccs2)nc1-c1nccn1[C@H]1C=CS(=O)(=O)C1 ZINC000072162500 216050174 /nfs/dbraw/zinc/05/01/74/216050174.db2.gz NZHPOYCBMIRBLL-NSHDSACASA-N 0 0 347.421 3.058 50 0 EGAARN CCCn1cc(CN2CCN(c3ccccc3OC)C[C@@H]2C)c(C)n1 ZINC000072158993 216048483 /nfs/dbraw/zinc/04/84/83/216048483.db2.gz OSQSTEOEWKIFTD-INIZCTEOSA-N 0 0 342.487 3.321 50 0 EGAARN O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1CCn1ccnc1 ZINC000072157973 216048510 /nfs/dbraw/zinc/04/85/10/216048510.db2.gz HJEDRYONUYERME-KRWDZBQOSA-N 0 0 330.407 3.177 50 0 EGAARN O=S(=O)(c1cc2ccccc2o1)N1CCC[C@H]1c1ccccn1 ZINC000072166803 216056770 /nfs/dbraw/zinc/05/67/70/216056770.db2.gz RXLUSCFJSHEUIN-HNNXBMFYSA-N 0 0 328.393 3.354 50 0 EGAARN CO[C@H](CNc1nc(C(C)C)nc2c1cnn2C)c1cccs1 ZINC000072166854 216056932 /nfs/dbraw/zinc/05/69/32/216056932.db2.gz ABBTYMXNKLOJIQ-GFCCVEGCSA-N 0 0 331.445 3.348 50 0 EGAARN COC[C@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072167546 216057835 /nfs/dbraw/zinc/05/78/35/216057835.db2.gz QBBPPZWECNBWTK-AWEZNQCLSA-N 0 0 340.402 3.398 50 0 EGAARN Cc1cccc(-c2nnc(SCC(=O)NC3CCCCC3)n2C)c1 ZINC000000412125 209575525 /nfs/dbraw/zinc/57/55/25/209575525.db2.gz BWCCKEWCXPTUOA-UHFFFAOYSA-N 0 0 344.484 3.332 50 0 EGAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(O)c(C)c3)C2)cc1 ZINC000072170405 216062243 /nfs/dbraw/zinc/06/22/43/216062243.db2.gz UJAUMXLLKXNFMH-QGZVFWFLSA-N 0 0 340.423 3.426 50 0 EGAARN CCn1cc(Cl)c(C(=O)NCCCn2ncc3c2cccc3C)n1 ZINC000072239529 216078346 /nfs/dbraw/zinc/07/83/46/216078346.db2.gz KTPLATBWNAHBJA-UHFFFAOYSA-N 0 0 345.834 3.035 50 0 EGAARN Cc1nn(C)c(C)c1NC(=O)c1nnsc1-c1ccc(Cl)cc1 ZINC000072242876 216082431 /nfs/dbraw/zinc/08/24/31/216082431.db2.gz NOFNVXRMORLZEN-UHFFFAOYSA-N 0 0 347.831 3.461 50 0 EGAARN COc1ccc(-c2ccnc3nc(Cc4ccccc4)nn32)cc1OC ZINC000072260259 216086049 /nfs/dbraw/zinc/08/60/49/216086049.db2.gz YKPWWEFEKGPQIU-UHFFFAOYSA-N 0 0 346.390 3.399 50 0 EGAARN CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2s1 ZINC000000409811 209572748 /nfs/dbraw/zinc/57/27/48/209572748.db2.gz BPGIMKFADWUVRN-UHFFFAOYSA-N 0 0 328.484 3.193 50 0 in-vitro EGAARN Cc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1C ZINC000000389228 209566691 /nfs/dbraw/zinc/56/66/91/209566691.db2.gz XAOCCQKMILPCJD-UHFFFAOYSA-N 0 0 341.798 3.305 50 0 EGAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000000328689 209538355 /nfs/dbraw/zinc/53/83/55/209538355.db2.gz FTWDUZLFAIMALG-UHFFFAOYSA-N 0 0 346.383 3.129 50 0 EGAARN COc1cccc(-c2n[nH]cc2C(=O)NCc2cc(F)cc(F)c2)c1 ZINC000072329218 216153304 /nfs/dbraw/zinc/15/33/04/216153304.db2.gz XEPGVYRUCMZYDN-UHFFFAOYSA-N 0 0 343.333 3.294 50 0 EGAARN O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccccc1 ZINC000072332140 216154722 /nfs/dbraw/zinc/15/47/22/216154722.db2.gz NKSHWIPWZSJJMB-UHFFFAOYSA-N 0 0 325.343 3.125 50 0 EGAARN CC(C)(C)C(=O)N1CC[C@@H](Cc2cccc(Br)n2)C1 ZINC000072344469 216159668 /nfs/dbraw/zinc/15/96/68/216159668.db2.gz YZJKCPMJLYOWFI-NSHDSACASA-N 0 0 325.250 3.281 50 0 EGAARN O=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2Cl)n1 ZINC000000208018 209484180 /nfs/dbraw/zinc/48/41/80/209484180.db2.gz YUUQESQLGBFGFM-UHFFFAOYSA-N 0 0 325.755 3.477 50 0 EGAARN CCOc1ccc2cc(C(N)=O)/c(=N/c3ccccc3OC)oc2c1 ZINC000000194699 209477236 /nfs/dbraw/zinc/47/72/36/209477236.db2.gz OTRHYBPFNRDCHD-VZCXRCSSSA-N 0 0 338.363 3.171 50 0 EGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(C)=O)cc1 ZINC000000191678 209475743 /nfs/dbraw/zinc/47/57/43/209475743.db2.gz OYFNPMANGPGUHV-KRWDZBQOSA-N 0 0 327.336 3.188 50 0 biogenic EGAARN COc1cccc(NC(=O)CN2c3cccc4cccc(c34)C2=O)c1 ZINC000000204155 209481527 /nfs/dbraw/zinc/48/15/27/209481527.db2.gz CLBOIRXVQIRJCD-UHFFFAOYSA-N 0 0 332.359 3.447 50 0 EGAARN CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn21 ZINC000000200581 209479297 /nfs/dbraw/zinc/47/92/97/209479297.db2.gz IXYQKPGHXZWXEK-UHFFFAOYSA-N 0 0 330.775 3.025 50 0 EGAARN O=C(c1ccco1)N1CCCn2c(SCc3ccccc3)nnc21 ZINC000000160094 209459845 /nfs/dbraw/zinc/45/98/45/209459845.db2.gz NMXOILKBZKYCHI-UHFFFAOYSA-N 0 0 340.408 3.214 50 0 EGAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)ccc1O ZINC000072404605 216195940 /nfs/dbraw/zinc/19/59/40/216195940.db2.gz WYXHJAXKRSQFDE-CYBMUJFWSA-N 0 0 339.351 3.362 50 0 EGAARN COc1cccc(-c2ccc(=O)n(CN(C)Cc3ccccc3)n2)c1 ZINC000072406366 216196909 /nfs/dbraw/zinc/19/69/09/216196909.db2.gz ZQANOXUTWWFSHC-UHFFFAOYSA-N 0 0 335.407 3.008 50 0 EGAARN Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(O)c3)C2=O)c(C)c1 ZINC000000142135 209446634 /nfs/dbraw/zinc/44/66/34/209446634.db2.gz HDKWMDHMWNDSFU-UHFFFAOYSA-N 0 0 342.782 3.445 50 0 EGAARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cn1 ZINC000072403670 216194868 /nfs/dbraw/zinc/19/48/68/216194868.db2.gz SQDLXWUUNYCFGD-UHFFFAOYSA-N 0 0 342.786 3.396 50 0 EGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1 ZINC000000116303 209431912 /nfs/dbraw/zinc/43/19/12/209431912.db2.gz GZLLACHMJDZRFX-UHFFFAOYSA-N 0 0 329.352 3.051 50 0 EGAARN CCCn1ncnc1[C@H](C)Nc1cc(C(C)C)nc2cc(C)nn21 ZINC000072407805 216197997 /nfs/dbraw/zinc/19/79/97/216197997.db2.gz IUDOBJIPNUZYGF-ZDUSSCGKSA-N 0 0 327.436 3.336 50 0 EGAARN CC(C)(O)CCc1cccc(C(=O)NCc2nc3ccccc3o2)c1 ZINC000072407564 216198107 /nfs/dbraw/zinc/19/81/07/216198107.db2.gz XYMLTDGVZWPUFQ-UHFFFAOYSA-N 0 0 338.407 3.461 50 0 EGAARN C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2NC1=O ZINC000028290395 212613032 /nfs/dbraw/zinc/61/30/32/212613032.db2.gz PRJPROBWDAIRQB-LLVKDONJSA-N 0 0 349.346 3.313 50 0 EGAARN CCc1cc(NCc2cnn(-c3cccc(OC)c3)c2)n2nccc2n1 ZINC000072412285 216205358 /nfs/dbraw/zinc/20/53/58/216205358.db2.gz WLIHPTHPCCOJBU-UHFFFAOYSA-N 0 0 348.410 3.098 50 0 EGAARN Cc1nnsc1C(=O)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072420976 216209026 /nfs/dbraw/zinc/20/90/26/216209026.db2.gz HPZWOLPUVJPECQ-CYBMUJFWSA-N 0 0 345.403 3.229 50 0 EGAARN Cc1nc(N)sc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072425868 216216671 /nfs/dbraw/zinc/21/66/71/216216671.db2.gz NZSDHEOEPNSSGG-GFCCVEGCSA-N 0 0 349.431 3.104 50 0 EGAARN COc1ccccc1NC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O ZINC000000065857 209396863 /nfs/dbraw/zinc/39/68/63/209396863.db2.gz LIPHXJCMPMGZOL-MRXNPFEDSA-N 0 0 339.395 3.073 50 0 EGAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1cccs1 ZINC000000052745 209392193 /nfs/dbraw/zinc/39/21/93/209392193.db2.gz RQMQTNNRECPUSJ-HNNXBMFYSA-N 0 0 344.461 3.241 50 0 EGAARN CSc1nc(N)nc2sc(C(=O)c3ccc(C)cc3)c(N)c21 ZINC000000047410 209389800 /nfs/dbraw/zinc/38/98/00/209389800.db2.gz LVAKVBZBCZUHND-UHFFFAOYSA-N 0 0 330.438 3.117 50 0 EGAARN Cc1c(C[NH+]2CCC(C(=O)[O-])(n3cccn3)CC2)oc2ccccc12 ZINC000072427069 216217787 /nfs/dbraw/zinc/21/77/87/216217787.db2.gz SVWIPYGJBLFDPX-UHFFFAOYSA-N 0 0 339.395 3.014 50 0 EGAARN C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072430821 216224068 /nfs/dbraw/zinc/22/40/68/216224068.db2.gz BTEIBWLVODHZBK-FOWTUZBSSA-N 0 0 339.439 3.171 50 0 EGAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C ZINC000072437600 216231830 /nfs/dbraw/zinc/23/18/30/216231830.db2.gz LUNVRZTXIYWCBG-UHFFFAOYSA-N 0 0 338.407 3.492 50 0 EGAARN CC(C)C[C@@H](Nc1cc(C(C)C)nc2ccnn21)c1ncnn1C ZINC000072448145 216237920 /nfs/dbraw/zinc/23/79/20/216237920.db2.gz SMHIEOFZJBPBBS-CQSZACIVSA-N 0 0 327.436 3.181 50 0 EGAARN CCn1ncnc1[C@H](Nc1cc(C(C)C)nc2cc(C)nn21)C1CC1 ZINC000072468589 216247696 /nfs/dbraw/zinc/24/76/96/216247696.db2.gz FSTVDOOLBHVYGG-QGZVFWFLSA-N 0 0 339.447 3.336 50 0 EGAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)Cc1csc(C)n1)CC2 ZINC000072476861 216254847 /nfs/dbraw/zinc/25/48/47/216254847.db2.gz QGKRQEXFKVHMJM-NSHDSACASA-N 0 0 346.452 3.157 50 0 EGAARN Cc1cc(N(C)Cc2c[nH]nc2-c2ccc(F)cc2)n2nccc2n1 ZINC000072478480 216256738 /nfs/dbraw/zinc/25/67/38/216256738.db2.gz GSKGMIDCBZEYMW-UHFFFAOYSA-N 0 0 336.374 3.203 50 0 EGAARN CC[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1nc(C)no1 ZINC000072475226 216252411 /nfs/dbraw/zinc/25/24/11/216252411.db2.gz OWFMGBLFYRFYNJ-CYBMUJFWSA-N 0 0 341.419 3.276 50 0 EGAARN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072475070 216253296 /nfs/dbraw/zinc/25/32/96/216253296.db2.gz TZGOUBZCMIOJJA-CYBMUJFWSA-N 0 0 343.471 3.231 50 0 EGAARN O=C(COc1ccc(F)cc1)Nc1ccnn1Cc1ccccc1 ZINC000023141897 212354851 /nfs/dbraw/zinc/35/48/51/212354851.db2.gz ILZCQKGHLIJLFL-UHFFFAOYSA-N 0 0 325.343 3.088 50 0 EGAARN Cc1ccc(Nc2nc(NCc3cccnc3)nc3n[nH]cc32)cc1 ZINC000023135926 212353177 /nfs/dbraw/zinc/35/31/77/212353177.db2.gz FRBDGIGGJSKGQJ-UHFFFAOYSA-N 0 0 331.383 3.412 50 0 EGAARN Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000022865501 212330856 /nfs/dbraw/zinc/33/08/56/212330856.db2.gz MQBQLQWAFXAPJE-AWEZNQCLSA-N 0 0 332.812 3.346 50 0 EGAARN CN(CC(=O)NCc1ccccn1)c1nc2c(cccc2Cl)s1 ZINC000075162155 216591504 /nfs/dbraw/zinc/59/15/04/216591504.db2.gz AAMQTVIXLIMPBH-UHFFFAOYSA-N 0 0 346.843 3.097 50 0 EGAARN CCc1nn(C)c(Cl)c1CN(C)Cc1nnc(-c2ccccc2)o1 ZINC000215150255 241106814 /nfs/dbraw/zinc/10/68/14/241106814.db2.gz VNHFOEHZYODWTE-UHFFFAOYSA-N 0 0 345.834 3.318 50 0 EGAARN CCOc1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 ZINC000207987828 241063878 /nfs/dbraw/zinc/06/38/78/241063878.db2.gz RDLLAVFJFZFKQD-LJQANCHMSA-N 0 0 338.451 3.413 50 0 EGAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(Oc2nccs2)C1 ZINC000208031930 241065033 /nfs/dbraw/zinc/06/50/33/241065033.db2.gz AGSWUIDTWBZUMX-UHFFFAOYSA-N 0 0 343.383 3.181 50 0 EGAARN Cc1c2ccccc2n(C)c1C(=O)N(CCO)Cc1cccs1 ZINC000216083862 241162470 /nfs/dbraw/zinc/16/24/70/241162470.db2.gz CJOYCGRILXOHEZ-UHFFFAOYSA-N 0 0 328.437 3.183 50 0 EGAARN CCn1ccc(C(=O)NCC2(c3ccc(OC)cc3)CCCC2)n1 ZINC000216147003 241167666 /nfs/dbraw/zinc/16/76/66/241167666.db2.gz QQQBCPPOPDRSMX-UHFFFAOYSA-N 0 0 327.428 3.153 50 0 EGAARN CCN(C)c1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)ncn1 ZINC000216296709 241180918 /nfs/dbraw/zinc/18/09/18/241180918.db2.gz VFCGJRRZFQOINX-OAHLLOKOSA-N 0 0 332.835 3.164 50 0 EGAARN Nc1nnc(SCC(=O)N2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000215372204 241123766 /nfs/dbraw/zinc/12/37/66/241123766.db2.gz BTQRNGAEFUBSGX-CYBMUJFWSA-N 0 0 348.497 3.009 50 0 EGAARN Cc1nc(CN(C)Cc2cnc(NCc3ccccc3)nc2)cs1 ZINC000215448189 241125885 /nfs/dbraw/zinc/12/58/85/241125885.db2.gz QYNNXWCYINHAMI-UHFFFAOYSA-N 0 0 339.468 3.486 50 0 EGAARN Cc1nnc([C@@H]2CCCN2Cc2cnc(C3CCCCC3)nc2)[nH]1 ZINC000215508825 241128386 /nfs/dbraw/zinc/12/83/86/241128386.db2.gz OMQMGNBPCHAGOA-INIZCTEOSA-N 0 0 326.448 3.288 50 0 EGAARN CN1CCN(Cc2cccc(C(=O)c3ccc(Cl)cc3F)c2)CC1 ZINC000022028061 212271487 /nfs/dbraw/zinc/27/14/87/212271487.db2.gz MSSDPYLRDREJDW-UHFFFAOYSA-N 0 0 346.833 3.458 50 0 EGAARN CSc1ccccc1C(=O)c1ccccc1CN1CCN(C)CC1 ZINC000022028157 212271201 /nfs/dbraw/zinc/27/12/01/212271201.db2.gz GCNFCBDOSQHEDU-UHFFFAOYSA-N 0 0 340.492 3.387 50 0 EGAARN O=C(c1ccco1)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219199584 241370080 /nfs/dbraw/zinc/37/00/80/241370080.db2.gz VNCYXCOEFSIWQL-INIZCTEOSA-N 0 0 331.393 3.329 50 0 EGAARN CO[C@H]1CCCN(C(=O)c2oc(COc3ccccc3)cc2C)C1 ZINC000219260211 241373275 /nfs/dbraw/zinc/37/32/75/241373275.db2.gz LPQCIISOTCWFRE-INIZCTEOSA-N 0 0 329.396 3.418 50 0 EGAARN C[C@@H](NC(=O)c1ccc2ccccc2n1)c1nncn1C1CCCC1 ZINC000219313378 241379898 /nfs/dbraw/zinc/37/98/98/241379898.db2.gz AABYCQWHVZNGBB-CYBMUJFWSA-N 0 0 335.411 3.432 50 0 EGAARN O=C(COc1ccccc1Cl)N1CCCC[C@@H]1CCn1ccnc1 ZINC000220318446 241438176 /nfs/dbraw/zinc/43/81/76/241438176.db2.gz DONSEYLGSWJFJL-OAHLLOKOSA-N 0 0 347.846 3.387 50 0 EGAARN O=C(c1cccnc1CC[C@H]1COc2ccccc2O1)N1CCCC1 ZINC000220483319 241443588 /nfs/dbraw/zinc/44/35/88/241443588.db2.gz GTEFDYHWJXZLIA-HNNXBMFYSA-N 0 0 338.407 3.090 50 0 EGAARN c1ccc(CO[C@@H]2COCC[C@H]2Nc2nc3ccccc3o2)nc1 ZINC000220745733 241453238 /nfs/dbraw/zinc/45/32/38/241453238.db2.gz AJBJTFSEOHRDOY-NVXWUHKLSA-N 0 0 325.368 3.009 50 0 EGAARN COc1ccccc1O[C@@H](C)C(=O)Nc1noc(-c2ccccc2)n1 ZINC000021800338 212251891 /nfs/dbraw/zinc/25/18/91/212251891.db2.gz 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/nfs/dbraw/zinc/07/72/91/243077291.db2.gz OMBZUWXQPIXXIP-QKLQHJQFSA-N 0 0 337.419 3.172 50 0 EGAARN Cc1nnsc1CN(C)Cc1nc(C)cc(-c2ccccc2)n1 ZINC000244764093 243077350 /nfs/dbraw/zinc/07/73/50/243077350.db2.gz PBHRXHXUCLLSCL-UHFFFAOYSA-N 0 0 325.441 3.244 50 0 EGAARN Cn1cc([C@H](Nc2ccnc3c(F)cc(F)cc23)[C@H]2C[C@H](O)C2)cn1 ZINC000244794674 243082683 /nfs/dbraw/zinc/08/26/83/243082683.db2.gz QRIOOIZBFZNQRJ-OMXAPOSASA-N 0 0 344.365 3.171 50 0 EGAARN CC[C@@H](C)c1ccccc1OCC(=O)NCc1csc(N(C)C)n1 ZINC000244816762 243086230 /nfs/dbraw/zinc/08/62/30/243086230.db2.gz SNYCQHCIKFSRMV-CYBMUJFWSA-N 0 0 347.484 3.418 50 0 EGAARN Cc1cccc2[nH]c([C@@H]3CCCN3C(=O)COc3cccnc3)nc21 ZINC000244734891 243068679 /nfs/dbraw/zinc/06/86/79/243068679.db2.gz NNNDJVPOOORKIW-INIZCTEOSA-N 0 0 336.395 3.009 50 0 EGAARN O=C(Nc1cccnc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000020745309 212167800 /nfs/dbraw/zinc/16/78/00/212167800.db2.gz RTMGNHPNJFAZTI-LLVKDONJSA-N 0 0 349.312 3.092 50 0 EGAARN CC(C)Oc1c(F)c(F)c(/C=C/CN2CCOCC2)c(F)c1F ZINC000020638981 212158679 /nfs/dbraw/zinc/15/86/79/212158679.db2.gz IRHUGTWUXOYACH-ONEGZZNKSA-N 0 0 333.325 3.376 50 0 EGAARN CCOc1ccc(NC(=O)[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1 ZINC000020602414 212152172 /nfs/dbraw/zinc/15/21/72/212152172.db2.gz CGXVGBYQXYXGJX-GOSISDBHSA-N 0 0 340.379 3.226 50 0 EGAARN CCc1ccc2c(c1)c1nc(C)sc1n2CCN1CCOCC1 ZINC000020504070 212141796 /nfs/dbraw/zinc/14/17/96/212141796.db2.gz ONEKXBGMSNAOJV-UHFFFAOYSA-N 0 0 329.469 3.454 50 0 EGAARN COCc1nc(Cn2ccc(-c3cccc(-c4ccncc4)c3)n2)no1 ZINC000020512628 212142028 /nfs/dbraw/zinc/14/20/28/212142028.db2.gz UXRVSFOLFRUIQJ-UHFFFAOYSA-N 0 0 347.378 3.190 50 0 EGAARN Cc1ccccc1CCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000252533053 243847182 /nfs/dbraw/zinc/84/71/82/243847182.db2.gz FUDIERYVQCBGQM-NJDAHSKKSA-N 0 0 337.463 3.426 50 0 EGAARN Cc1ccc(CN2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)o1 ZINC000020454024 212130750 /nfs/dbraw/zinc/13/07/50/212130750.db2.gz HXNRWOIDVLXEBD-KRWDZBQOSA-N 0 0 348.874 3.310 50 0 EGAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000253596045 244032652 /nfs/dbraw/zinc/03/26/52/244032652.db2.gz MOIQRAOBRXUWGN-FFSPKELQSA-N 0 0 332.484 3.488 50 0 EGAARN COc1ccc(CCNC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000020454263 212132319 /nfs/dbraw/zinc/13/23/19/212132319.db2.gz MANISRXYSXBZRU-UHFFFAOYSA-N 0 0 343.423 3.004 50 0 biogenic EGAARN CN(C)c1cc(-c2cccc(-c3ccn(C[C@@H]4CCCO4)n3)c2)ncn1 ZINC000020451828 212131059 /nfs/dbraw/zinc/13/10/59/212131059.db2.gz OYWOVJXCRQSNKC-KRWDZBQOSA-N 0 0 349.438 3.252 50 0 EGAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000020399301 212125492 /nfs/dbraw/zinc/12/54/92/212125492.db2.gz ATYOSPWBBJBFKJ-INIZCTEOSA-N 0 0 348.324 3.347 50 0 EGAARN Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1C ZINC000020394698 212124733 /nfs/dbraw/zinc/12/47/33/212124733.db2.gz JNCQWYCDNWXLTC-UHFFFAOYSA-N 0 0 337.467 3.060 50 0 EGAARN CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000020289866 212117163 /nfs/dbraw/zinc/11/71/63/212117163.db2.gz GIMSLCGWOUDZRB-WQLSENKSSA-N 0 0 337.372 3.204 50 0 EGAARN COc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000020274441 212115867 /nfs/dbraw/zinc/11/58/67/212115867.db2.gz XIEYKJGRJXBONN-UHFFFAOYSA-N 0 0 343.402 3.184 50 0 EGAARN Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)c1 ZINC000020279767 212115560 /nfs/dbraw/zinc/11/55/60/212115560.db2.gz SCTUUJUZUOWWFZ-QGZVFWFLSA-N 0 0 326.371 3.377 50 0 EGAARN CSc1nnc(CNC(=O)C2CCCCC2)n1Cc1ccccc1 ZINC000020272436 212115309 /nfs/dbraw/zinc/11/53/09/212115309.db2.gz JNWKMOLTNXHCJK-UHFFFAOYSA-N 0 0 344.484 3.245 50 0 EGAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Cl)c23)C1 ZINC000020267730 212115349 /nfs/dbraw/zinc/11/53/49/212115349.db2.gz XRQIROWKGMTAMS-SNVBAGLBSA-N 0 0 337.876 3.302 50 0 EGAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@@H]21 ZINC000020095127 212100045 /nfs/dbraw/zinc/10/00/45/212100045.db2.gz OREPKIFRTBQMPH-NIKGAXFTSA-N 0 0 332.403 3.374 50 0 EGAARN CCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000019943017 212088431 /nfs/dbraw/zinc/08/84/31/212088431.db2.gz ZKFYYZADYNMRPA-RYUDHWBXSA-N 0 0 331.865 3.405 50 0 EGAARN CCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OCC ZINC000019943056 212088571 /nfs/dbraw/zinc/08/85/71/212088571.db2.gz VMXITVPOLDBLGW-ZIAGYGMSSA-N 0 0 341.473 3.151 50 0 EGAARN CC[C@@H](C)n1nccc1NC(=O)Cn1ccc(-c2ccc(C)o2)n1 ZINC000019939480 212087642 /nfs/dbraw/zinc/08/76/42/212087642.db2.gz QZEKTQNOQPFOSS-GFCCVEGCSA-N 0 0 327.388 3.258 50 0 EGAARN CCc1c(C(=O)Nc2ccc(F)c(F)c2F)nnn1-c1ccccc1 ZINC000019910933 212082710 /nfs/dbraw/zinc/08/27/10/212082710.db2.gz UXZYRAZRJOWWHB-UHFFFAOYSA-N 0 0 346.312 3.499 50 0 EGAARN Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cccc2cnccc21 ZINC000077455904 216909721 /nfs/dbraw/zinc/90/97/21/216909721.db2.gz PLFMWEUKUWZWBD-UHFFFAOYSA-N 0 0 336.439 3.176 50 0 EGAARN CCOc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000019787491 212066873 /nfs/dbraw/zinc/06/68/73/212066873.db2.gz IQGPTLDOTRODAH-UHFFFAOYSA-N 0 0 330.453 3.105 50 0 EGAARN CC(C)(C)C(=O)N[C@H](NCc1ccco1)C(Cl)(Cl)Cl ZINC000019315788 212015244 /nfs/dbraw/zinc/01/52/44/212015244.db2.gz MIRNJQYHVSDJIC-VIFPVBQESA-N 0 0 327.639 3.228 50 0 EGAARN Cc1cc(NC(=O)CNC(=O)OC(C)(C)C)ccc1Br ZINC000049398687 214004739 /nfs/dbraw/zinc/00/47/39/214004739.db2.gz WVXJXSBIKGVKAE-UHFFFAOYSA-N 0 0 343.221 3.221 50 0 EGAARN Cc1n[nH]c(C)c1CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000078604576 217085398 /nfs/dbraw/zinc/08/53/98/217085398.db2.gz GQDGJCONAKPNEH-GOSISDBHSA-N 0 0 339.443 3.349 50 0 EGAARN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000016579539 211914834 /nfs/dbraw/zinc/91/48/34/211914834.db2.gz JFFZCOUJKFOMIV-UHFFFAOYSA-N 0 0 332.425 3.033 50 0 EGAARN Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N ZINC000016624515 211921680 /nfs/dbraw/zinc/92/16/80/211921680.db2.gz OALJWHHZRDSWHU-UHFFFAOYSA-N 0 0 341.802 3.372 50 0 EGAARN Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000016605597 211918883 /nfs/dbraw/zinc/91/88/83/211918883.db2.gz XRVGSHPMCPBFSA-GOSISDBHSA-N 0 0 338.451 3.107 50 0 EGAARN Cc1ccc2c(ccn2CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000079189678 217200102 /nfs/dbraw/zinc/20/01/02/217200102.db2.gz YJCAMHVBXXNWAJ-PXNSSMCTSA-N 0 0 326.440 3.103 50 0 biogenic EGAARN Cc1cccc2c1ccn2CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000079189166 217201006 /nfs/dbraw/zinc/20/10/06/217201006.db2.gz MGAGZQNVUAPLPR-JXFKEZNVSA-N 0 0 326.440 3.103 50 0 biogenic EGAARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2n(n1)CCCO2 ZINC000090626759 284331707 /nfs/dbraw/zinc/33/17/07/284331707.db2.gz FKZGVNPAYARWMB-UHFFFAOYSA-N 0 0 331.375 3.489 50 0 EGAARN COCCn1ccc2c1cccc2C(=O)Nc1ccc2c(c1)ncn2C ZINC000079489173 217232486 /nfs/dbraw/zinc/23/24/86/217232486.db2.gz YQOYDDSRQLYQSF-UHFFFAOYSA-N 0 0 348.406 3.427 50 0 EGAARN COCCn1cc(CCCC(=O)N2CCSCC2)c2ccccc21 ZINC000079501270 217235455 /nfs/dbraw/zinc/23/54/55/217235455.db2.gz KNLZGMDVFMGTTL-UHFFFAOYSA-N 0 0 346.496 3.186 50 0 EGAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(C)nc3cc(F)ccc32)n1 ZINC000079693689 217249245 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CCOC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000339391 452566830 /nfs/dbraw/zinc/56/68/30/452566830.db2.gz IXEIUUBLKCXHLC-UHFFFAOYSA-N 0 0 332.303 3.166 50 0 EGAARN O=S(=O)(c1ccc(-c2cn3ccccc3n2)cc1)N1CCCCC1 ZINC000000356601 452569649 /nfs/dbraw/zinc/56/96/49/452569649.db2.gz ILXCHNJYPBVTNZ-UHFFFAOYSA-N 0 0 341.436 3.176 50 0 EGAARN COc1cccc(C(=O)NC(=S)Nc2ccc(C(C)=O)cc2)c1 ZINC000000361146 452572107 /nfs/dbraw/zinc/57/21/07/452572107.db2.gz ZRJASUZCGNVJQG-UHFFFAOYSA-N 0 0 328.393 3.025 50 0 EGAARN Cc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000000379706 452574729 /nfs/dbraw/zinc/57/47/29/452574729.db2.gz GPDPOGATWDYPPL-UHFFFAOYSA-N 0 0 346.452 3.017 50 0 EGAARN CCOc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)cc1 ZINC000000380897 452576126 /nfs/dbraw/zinc/57/61/26/452576126.db2.gz LKFUWQYXVGRTPY-SCLBCKFNSA-N 0 0 327.380 3.044 50 0 EGAARN Cc1cc(Br)c(S(=O)(=O)N2CCCCC2)cc1C ZINC000000380076 452576780 /nfs/dbraw/zinc/57/67/80/452576780.db2.gz NDHFDZDMBVKZEG-UHFFFAOYSA-N 0 0 332.263 3.241 50 0 EGAARN CCCc1cc(-c2nn3c(nnc3-c3cccc(F)c3)s2)n(C)n1 ZINC000000385538 452577725 /nfs/dbraw/zinc/57/77/25/452577725.db2.gz SUSBQLQQUCLIIX-UHFFFAOYSA-N 0 0 342.403 3.345 50 0 EGAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)cc1OC ZINC000000407851 452579942 /nfs/dbraw/zinc/57/99/42/452579942.db2.gz SXFFPKPKFVAFFS-JKSUJKDBSA-N 0 0 336.395 3.442 50 0 EGAARN Cc1cc2cc(CCNC(=O)Cc3ccccc3)c(=O)[nH]c2cc1C ZINC000000427739 452588709 /nfs/dbraw/zinc/58/87/09/452588709.db2.gz WKYXYPVTSWHWPE-UHFFFAOYSA-N 0 0 334.419 3.046 50 0 EGAARN COc1ccc(-n2ncc3c2ncnc3N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000426513 452589559 /nfs/dbraw/zinc/58/95/59/452589559.db2.gz ZTXLVKCCRPWWQT-KBPBESRZSA-N 0 0 337.427 3.306 50 0 EGAARN Cc1ccccc1C(=O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000000435983 452590881 /nfs/dbraw/zinc/59/08/81/452590881.db2.gz RVSLVTNIQPRTDP-DOMZBBRYSA-N 0 0 326.318 3.248 50 0 EGAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000000442233 452592298 /nfs/dbraw/zinc/59/22/98/452592298.db2.gz ZGESSMPTYYGZLX-LBPRGKRZSA-N 0 0 347.798 3.461 50 0 EGAARN Brc1ccc(OCc2nc(-c3cccnc3)no2)cc1 ZINC000000443362 452592487 /nfs/dbraw/zinc/59/24/87/452592487.db2.gz FHZYCQOQMPUPCX-UHFFFAOYSA-N 0 0 332.157 3.473 50 0 EGAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1 ZINC000000451734 452595522 /nfs/dbraw/zinc/59/55/22/452595522.db2.gz HUQRMEHCCFMOMO-JTQLQIEISA-N 0 0 325.195 3.472 50 0 EGAARN COc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1Cl ZINC000000456100 452597069 /nfs/dbraw/zinc/59/70/69/452597069.db2.gz VZCICFVJUOWZNK-FNORWQNLSA-N 0 0 336.800 3.468 50 0 EGAARN CCOc1cc(C=O)cc(I)c1OC(C)C ZINC000000453514 452597212 /nfs/dbraw/zinc/59/72/12/452597212.db2.gz YNSNCZFEJTXWIY-UHFFFAOYSA-N 0 0 334.153 3.290 50 0 EGAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c2ccccc21 ZINC000000458557 452598409 /nfs/dbraw/zinc/59/84/09/452598409.db2.gz HHHJFACYUJPLHT-KRWDZBQOSA-N 0 0 340.379 3.039 50 0 EGAARN O=C(Cc1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 ZINC000000457232 452598699 /nfs/dbraw/zinc/59/86/99/452598699.db2.gz CXLNFBYMXCUJFJ-UHFFFAOYSA-N 0 0 348.196 3.037 50 0 biogenic EGAARN CCn1cc(Br)c(C(=O)Nc2ccc(F)cc2F)n1 ZINC000000467354 452600638 /nfs/dbraw/zinc/60/06/38/452600638.db2.gz VSFZEJFXSMBQJK-UHFFFAOYSA-N 0 0 330.132 3.196 50 0 EGAARN O=C(Nc1cccc(Cl)c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000000488116 452606025 /nfs/dbraw/zinc/60/60/25/452606025.db2.gz OELDGZVOZGQIIC-OLZOCXBDSA-N 0 0 343.814 3.153 50 0 biogenic EGAARN COc1ccccc1N1C(=O)C[C@H](c2cn(C)c3ccccc23)C1=O ZINC000000489978 452608903 /nfs/dbraw/zinc/60/89/03/452608903.db2.gz XSAXZURSTXYZTM-CQSZACIVSA-N 0 0 334.375 3.234 50 0 biogenic EGAARN O=C(Nc1cnc2ccccc2c1)c1coc(=O)c(Br)c1 ZINC000000521579 452611876 /nfs/dbraw/zinc/61/18/76/452611876.db2.gz JJSJGABIKHTYRK-UHFFFAOYSA-N 0 0 345.152 3.203 50 0 EGAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCC(C)CC3)ccc12 ZINC000000519069 452613009 /nfs/dbraw/zinc/61/30/09/452613009.db2.gz ACYZUSXNAUBAQT-CQSZACIVSA-N 0 0 329.396 3.127 50 0 biogenic EGAARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC(C)(C)OC4)cc1 ZINC000000531060 452615528 /nfs/dbraw/zinc/61/55/28/452615528.db2.gz CMLWEIXKAKJYIL-HNNXBMFYSA-N 0 0 344.436 3.462 50 0 EGAARN CCOc1cccc(-c2nnc(SCc3ccc(F)cc3)n2N)c1 ZINC000000533400 452616136 /nfs/dbraw/zinc/61/61/36/452616136.db2.gz PEOSWQXPWKPJQB-UHFFFAOYSA-N 0 0 344.415 3.489 50 0 EGAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 ZINC000000532551 452616423 /nfs/dbraw/zinc/61/64/23/452616423.db2.gz NSZTXMYCULUSRI-UZUQRXQVSA-N 0 0 334.356 3.167 50 0 EGAARN O=C(CN1c2cccc3cccc(c23)C1=O)N1CCc2ccccc2C1 ZINC000000530824 452616761 /nfs/dbraw/zinc/61/67/61/452616761.db2.gz HLMOJQYMJMKFOW-UHFFFAOYSA-N 0 0 342.398 3.385 50 0 EGAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccs1 ZINC000000542195 452618392 /nfs/dbraw/zinc/61/83/92/452618392.db2.gz BHCSVZQIQTYXFW-AWEZNQCLSA-N 0 0 342.203 3.468 50 0 EGAARN COc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000000545897 452620559 /nfs/dbraw/zinc/62/05/59/452620559.db2.gz NAGKGSUTMWBJOL-UHFFFAOYSA-N 0 0 339.347 3.128 50 0 biogenic EGAARN Clc1ccc(-n2ncc3c2ncnc3NC[C@@H]2CCCO2)cc1 ZINC000000544568 452621094 /nfs/dbraw/zinc/62/10/94/452621094.db2.gz CBACPFGSVXIUFQ-ZDUSSCGKSA-N 0 0 329.791 3.060 50 0 EGAARN CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1 ZINC000000572495 452626223 /nfs/dbraw/zinc/62/62/23/452626223.db2.gz UJHNAMWFBCSROC-AWEZNQCLSA-N 0 0 335.407 3.493 50 0 EGAARN CC1=NN(C(=O)CSCc2ccccc2)[C@@](O)(c2ccccc2)C1 ZINC000000610574 452629680 /nfs/dbraw/zinc/62/96/80/452629680.db2.gz BISLDCZTMTZXHV-IBGZPJMESA-N 0 0 340.448 3.373 50 0 EGAARN COc1cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21 ZINC000000608693 452630137 /nfs/dbraw/zinc/63/01/37/452630137.db2.gz ADAJFMIXGOBINJ-UHFFFAOYSA-N 0 0 330.409 3.207 50 0 EGAARN CC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000000586963 452630504 /nfs/dbraw/zinc/63/05/04/452630504.db2.gz TWKPMYFBMWBNSI-KPKJPENVSA-N 0 0 339.420 3.171 50 0 EGAARN CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000000611465 452631935 /nfs/dbraw/zinc/63/19/35/452631935.db2.gz UXEVORTWDNCVKE-UHFFFAOYSA-N 0 0 339.800 3.318 50 0 EGAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000000620665 452633885 /nfs/dbraw/zinc/63/38/85/452633885.db2.gz HKQNYCSOFWEVIO-UHFFFAOYSA-N 0 0 340.379 3.305 50 0 EGAARN Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 ZINC000000815610 452636932 /nfs/dbraw/zinc/63/69/32/452636932.db2.gz JGEDXIOPULXFSO-SECBINFHSA-N 0 0 326.183 3.498 50 0 EGAARN CN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000000869812 452637724 /nfs/dbraw/zinc/63/77/24/452637724.db2.gz MBEGTXATLRQUHV-UHFFFAOYSA-N 0 0 337.345 3.049 50 0 EGAARN CCc1c(C)sc(NC(=O)[C@H]2CCCO2)c1C(=O)OC(C)C ZINC000001055972 452642734 /nfs/dbraw/zinc/64/27/34/452642734.db2.gz OMVRBACPXCOIRM-GFCCVEGCSA-N 0 0 325.430 3.302 50 0 EGAARN O=C(Cc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)no1 ZINC000001060145 452643319 /nfs/dbraw/zinc/64/33/19/452643319.db2.gz XMBWFZGJYFDFRS-UHFFFAOYSA-N 0 0 327.771 3.249 50 0 EGAARN O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000001064946 452644736 /nfs/dbraw/zinc/64/47/36/452644736.db2.gz OQIFHZCYFIIINM-AWEZNQCLSA-N 0 0 342.203 3.468 50 0 EGAARN O=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccco1 ZINC000001332261 452652537 /nfs/dbraw/zinc/65/25/37/452652537.db2.gz BBNIIKJMKBWQAD-UHFFFAOYSA-N 0 0 325.393 3.145 50 0 EGAARN COc1ccc(-c2ccc(SCC(=O)N3CCCCC3)nn2)cc1 ZINC000001332205 452653798 /nfs/dbraw/zinc/65/37/98/452653798.db2.gz OEVATHRHERTEFN-UHFFFAOYSA-N 0 0 343.452 3.257 50 0 EGAARN CS(=O)(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1Cl ZINC000001393343 452658272 /nfs/dbraw/zinc/65/82/72/452658272.db2.gz XVLNICLFVMOMES-UHFFFAOYSA-N 0 0 345.811 3.263 50 0 EGAARN O=C(NCc1cccs1)c1cc(C(=O)c2ccc(F)cc2)c[nH]1 ZINC000001399042 452659684 /nfs/dbraw/zinc/65/96/84/452659684.db2.gz LNROBTDSBFEKKM-UHFFFAOYSA-N 0 0 328.368 3.376 50 0 EGAARN COc1cccc(C(=O)O[C@@H](CN2CCCCC2)C(F)(F)F)c1 ZINC000001395968 452659699 /nfs/dbraw/zinc/65/96/99/452659699.db2.gz PVZSSJXCHACKJB-AWEZNQCLSA-N 0 0 331.334 3.269 50 0 EGAARN CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccncc1 ZINC000001400685 452660380 /nfs/dbraw/zinc/66/03/80/452660380.db2.gz IDQBSNDEXJVNCZ-UHFFFAOYSA-N 0 0 346.312 3.313 50 0 EGAARN CN(C)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1 ZINC000001402557 452661190 /nfs/dbraw/zinc/66/11/90/452661190.db2.gz DTWXHGYNVUCCSA-UHFFFAOYSA-N 0 0 339.420 3.042 50 0 EGAARN COc1cc(OC)cc(C(=O)NCc2cc(C)nc3ccccc23)c1 ZINC000001423677 452663106 /nfs/dbraw/zinc/66/31/06/452663106.db2.gz ZGDOFPVLNZXRHZ-UHFFFAOYSA-N 0 0 336.391 3.490 50 0 EGAARN CCOc1ccc([C@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)cc1 ZINC000001427906 452663167 /nfs/dbraw/zinc/66/31/67/452663167.db2.gz UPNINUSZJFTFGS-MRXNPFEDSA-N 0 0 349.386 3.378 50 0 EGAARN CCOC(=O)c1nc(C)c(-c2c[nH]c3ccccc32)nc1NC(C)=O ZINC000001424411 452663679 /nfs/dbraw/zinc/66/36/79/452663679.db2.gz DUNUJODHOSZETI-UHFFFAOYSA-N 0 0 338.367 3.068 50 0 EGAARN COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 ZINC000001425124 452663783 /nfs/dbraw/zinc/66/37/83/452663783.db2.gz CWCVWYAMKXDCRJ-CYBMUJFWSA-N 0 0 326.396 3.088 50 0 EGAARN Cc1cccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c1C ZINC000001457716 452665872 /nfs/dbraw/zinc/66/58/72/452665872.db2.gz NEIGGANLBLGEHX-UHFFFAOYSA-N 0 0 337.467 3.332 50 0 EGAARN CNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 ZINC000001452657 452666202 /nfs/dbraw/zinc/66/62/02/452666202.db2.gz MJEPGVPNZLXOJH-CMDGGOBGSA-N 0 0 330.409 3.231 50 0 EGAARN O=C(NCCNC(=O)c1ccccc1Cl)c1ccccc1Cl ZINC000001794691 452678241 /nfs/dbraw/zinc/67/82/41/452678241.db2.gz JOTFQOGXFJWFJM-UHFFFAOYSA-N 0 0 337.206 3.153 50 0 EGAARN CCSc1nc2sc3c(c2c(NCCO)n1)CC(C)(C)OC3 ZINC000002198719 452688551 /nfs/dbraw/zinc/68/85/51/452688551.db2.gz KRWAJHUYZVQPSK-UHFFFAOYSA-N 0 0 339.486 3.059 50 0 EGAARN CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCO)c23)CO1 ZINC000002238409 452691244 /nfs/dbraw/zinc/69/12/44/452691244.db2.gz XTQJPUHNRGJJPA-OAHLLOKOSA-N 0 0 339.486 3.059 50 0 EGAARN CCCOc1ccc(N2C(=O)C[C@H](N(C)c3ccccc3)C2=O)cc1 ZINC000002340738 452693472 /nfs/dbraw/zinc/69/34/72/452693472.db2.gz VNYDHKXWOWQFRT-SFHVURJKSA-N 0 0 338.407 3.244 50 0 EGAARN COC(=O)[C@H](CCSC)NC(=O)Nc1cc(Cl)ccc1C ZINC000002407472 452694506 /nfs/dbraw/zinc/69/45/06/452694506.db2.gz RXLUSEWNYKQGHC-NSHDSACASA-N 0 0 330.837 3.065 50 0 EGAARN CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 ZINC000002427897 452697121 /nfs/dbraw/zinc/69/71/21/452697121.db2.gz NGDCOLCGZXPQPR-GAJHUEQPSA-N 0 0 334.356 3.169 50 0 EGAARN CCOC(=O)c1cccc(C(=O)c2ccccc2CN2CC=CC2)c1 ZINC000002515882 452702753 /nfs/dbraw/zinc/70/27/53/452702753.db2.gz VUKOMHNSJIWVEO-UHFFFAOYSA-N 0 0 335.403 3.466 50 0 EGAARN O=C(NCCc1ccc(Cl)cc1)c1cncc(Br)c1 ZINC000002616516 452706873 /nfs/dbraw/zinc/70/68/73/452706873.db2.gz AZQSCHNTFASARY-UHFFFAOYSA-N 0 0 339.620 3.470 50 0 EGAARN COc1ccccc1NC(=O)CSc1nccc(C(F)(F)F)n1 ZINC000002732525 452716200 /nfs/dbraw/zinc/71/62/00/452716200.db2.gz IOVHBDCYXDNIGS-UHFFFAOYSA-N 0 0 343.330 3.235 50 0 EGAARN CCn1nccc1[C@H](C)NC(=O)c1cc(Br)cs1 ZINC000002730109 452716418 /nfs/dbraw/zinc/71/64/18/452716418.db2.gz RGDJRDOHELPZIX-QMMMGPOBSA-N 0 0 328.235 3.218 50 0 EGAARN O=C(NCc1ccccc1Cl)c1nc(-c2ccc(F)cc2)no1 ZINC000002732734 452717661 /nfs/dbraw/zinc/71/76/61/452717661.db2.gz LOJAJHDDPPMVAC-UHFFFAOYSA-N 0 0 331.734 3.459 50 0 EGAARN Cc1nn(C)cc1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000002781476 452722179 /nfs/dbraw/zinc/72/21/79/452722179.db2.gz JEGLDKJPSZOXSS-MRVPVSSYSA-N 0 0 349.744 3.105 50 0 EGAARN Cc1nn(CCCNC(=S)N[C@@H](C)c2ccccc2)cc1Cl ZINC000002794174 452723901 /nfs/dbraw/zinc/72/39/01/452723901.db2.gz LIDORRKSHBNLEB-LBPRGKRZSA-N 0 0 336.892 3.460 50 0 EGAARN O=C(NC1CC1)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000002794046 452724063 /nfs/dbraw/zinc/72/40/63/452724063.db2.gz LDZYTSODSBTQSG-UHFFFAOYSA-N 0 0 326.183 3.119 50 0 EGAARN O=C(NOCc1ccccc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000002794115 452724400 /nfs/dbraw/zinc/72/44/00/452724400.db2.gz TWBCBQZDPMWQBM-UHFFFAOYSA-N 0 0 341.798 3.446 50 0 EGAARN Cc1cc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)no1 ZINC000002794807 452726530 /nfs/dbraw/zinc/72/65/30/452726530.db2.gz LOTCYBRWKCTHKQ-UHFFFAOYSA-N 0 0 346.774 3.430 50 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/nfs/dbraw/zinc/39/49/51/209394951.db2.gz NJVQKNPFNWMNGL-KRWDZBQOSA-N 0 0 344.411 3.199 50 0 EGAARN Cc1nc(N)sc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000072425867 216216227 /nfs/dbraw/zinc/21/62/27/216216227.db2.gz NZSDHEOEPNSSGG-LBPRGKRZSA-N 0 0 349.431 3.104 50 0 EGAARN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000000044967 209388627 /nfs/dbraw/zinc/38/86/27/209388627.db2.gz YYRTXDFZZPMCNZ-INIZCTEOSA-N 0 0 336.391 3.189 50 0 EGAARN COc1ccc(-n2cc([C@H](C)Nc3cc(C)nc4ccnn43)cn2)cc1 ZINC000072430933 216223541 /nfs/dbraw/zinc/22/35/41/216223541.db2.gz AFXFMTXKOYJQMJ-AWEZNQCLSA-N 0 0 348.410 3.405 50 0 EGAARN CCOc1ccccc1C(=O)NC[C@H](c1ccccc1OC)N(C)C ZINC000027989946 212592924 /nfs/dbraw/zinc/59/29/24/212592924.db2.gz NYCLZIGKRIOMIT-QGZVFWFLSA-N 0 0 342.439 3.127 50 0 EGAARN COCC[C@@H]1CCCCN1C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072459112 216244533 /nfs/dbraw/zinc/24/45/33/216244533.db2.gz GPQUJMDMRIGJOI-SFHVURJKSA-N 0 0 333.472 3.421 50 0 EGAARN CC(C)Cn1cncc1Cn1ccnc1-c1ccc2c(c1)OCCO2 ZINC000072456988 216242526 /nfs/dbraw/zinc/24/25/26/216242526.db2.gz CRTIKMSJLXTWSK-UHFFFAOYSA-N 0 0 338.411 3.222 50 0 EGAARN COC(=O)CCCC(=O)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072456561 216242637 /nfs/dbraw/zinc/24/26/37/216242637.db2.gz HGDUFUHABZISEP-HNNXBMFYSA-N 0 0 347.390 3.099 50 0 EGAARN CNc1nc(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cs1 ZINC000072462825 216244978 /nfs/dbraw/zinc/24/49/78/216244978.db2.gz QRSUTOQTVTXERT-ZDUSSCGKSA-N 0 0 345.403 3.178 50 0 EGAARN C[C@@H]1CN(c2cc(-c3ccc(F)cc3)nc3ccnn32)C[C@H](C)O1 ZINC000072469824 216249049 /nfs/dbraw/zinc/24/90/49/216249049.db2.gz RMAOSUGRSJTWHG-BETUJISGSA-N 0 0 326.375 3.149 50 0 EGAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@@H]1c1ccccn1 ZINC000072479804 216258890 /nfs/dbraw/zinc/25/88/90/216258890.db2.gz YFPVNKOTGZNUHR-GOSISDBHSA-N 0 0 345.406 3.301 50 0 EGAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2[nH]cnc2c1 ZINC000072481502 216261400 /nfs/dbraw/zinc/26/14/00/216261400.db2.gz LEHGDWAOSFOBIU-UHFFFAOYSA-N 0 0 332.363 3.490 50 0 EGAARN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000027580916 212566534 /nfs/dbraw/zinc/56/65/34/212566534.db2.gz KASCABODVMAOTN-ZDUSSCGKSA-N 0 0 340.379 3.040 50 0 EGAARN CSc1cccc(NC(=O)COC(=O)COc2ccc(C)cc2)c1 ZINC000026900299 212539319 /nfs/dbraw/zinc/53/93/19/212539319.db2.gz INDBSZAQSDZFEO-UHFFFAOYSA-N 0 0 345.420 3.278 50 0 EGAARN COC(=O)[C@@H](c1ccccc1)N1CCCCN1C(=O)OC(C)(C)C ZINC000012336492 291282971 /nfs/dbraw/zinc/28/29/71/291282971.db2.gz BMMOTHOWNLUDJH-OAHLLOKOSA-N 0 0 334.416 3.149 50 0 EGAARN COC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12 ZINC000005752357 283745277 /nfs/dbraw/zinc/74/52/77/283745277.db2.gz WYTGDNHDOZPMIW-VBNZEHGJSA-N 0 0 348.402 3.405 50 0 biogenic,in-vitro EGAARN Cc1cccc(Cc2nnc(NC(=O)NCCc3ccco3)s2)c1 ZINC000023619623 212386342 /nfs/dbraw/zinc/38/63/42/212386342.db2.gz ORYUWTDUHIPREH-UHFFFAOYSA-N 0 0 342.424 3.395 50 0 EGAARN COc1ccc(-c2cn3c(CCC(=O)NC4CC4)csc3n2)cc1 ZINC000023234447 212362155 /nfs/dbraw/zinc/36/21/55/212362155.db2.gz 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O=C(CCCn1cncn1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000219061193 241362137 /nfs/dbraw/zinc/36/21/37/241362137.db2.gz OOBBCWSMMKXBJK-OAHLLOKOSA-N 0 0 332.835 3.118 50 0 EGAARN CCn1ccc2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)ccc21 ZINC000219856277 241413359 /nfs/dbraw/zinc/41/33/59/241413359.db2.gz OHIXOXXKIQXXLI-ZWOKBUDYSA-N 0 0 349.434 3.298 50 0 EGAARN O=C(N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)c1cccn1C1CC1 ZINC000220101488 241429393 /nfs/dbraw/zinc/42/93/93/241429393.db2.gz OJNQGGWTZYEEIE-HNJRGHQBSA-N 0 0 336.435 3.199 50 0 EGAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1ccccc1 ZINC000021835664 212255110 /nfs/dbraw/zinc/25/51/10/212255110.db2.gz YNOCHOWDGTXMPV-GOSISDBHSA-N 0 0 343.402 3.021 50 0 EGAARN O=S(=O)(NCc1cccnc1-c1cccs1)c1cccc(F)c1 ZINC000225763001 242024675 /nfs/dbraw/zinc/02/46/75/242024675.db2.gz MKZAVNXLWCLXGC-UHFFFAOYSA-N 0 0 348.424 3.428 50 0 EGAARN COc1ccc(-c2cnn(CCCC(=O)NCCC3CC3)c2)cc1 ZINC000227166158 242126485 /nfs/dbraw/zinc/12/64/85/242126485.db2.gz 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CCCCOC(=O)n1c2ccccc2nc1SCC(=O)OCC ZINC000012410692 211372134 /nfs/dbraw/zinc/37/21/34/211372134.db2.gz YIMGHQSHBFPTGG-UHFFFAOYSA-N 0 0 336.413 3.476 50 0 EGAARN Cn1cnnc1-c1cccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 ZINC000012402165 211369172 /nfs/dbraw/zinc/36/91/72/211369172.db2.gz AKQHLEYFQXYIPK-CYBMUJFWSA-N 0 0 325.199 3.005 50 0 EGAARN CCCNC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000012404488 211368721 /nfs/dbraw/zinc/36/87/21/211368721.db2.gz ZSHXXTZACXYPAO-UHFFFAOYSA-N 0 0 326.396 3.152 50 0 EGAARN O=S(=O)(c1cccnc1)N1CCC[C@H](CCc2ccccc2)C1 ZINC000012304045 211340288 /nfs/dbraw/zinc/34/02/88/211340288.db2.gz FNVDGGPEYHXWNB-QGZVFWFLSA-N 0 0 330.453 3.115 50 0 EGAARN O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCCCC1 ZINC000012192406 211316417 /nfs/dbraw/zinc/31/64/17/211316417.db2.gz STXPLUUIGOCBIX-KRWDZBQOSA-N 0 0 332.419 3.013 50 0 EGAARN CCCNC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000012138509 211303935 /nfs/dbraw/zinc/30/39/35/211303935.db2.gz ARDOVPSOGXNOAH-UHFFFAOYSA-N 0 0 326.396 3.477 50 0 EGAARN CCCCNC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C ZINC000012121584 211298937 /nfs/dbraw/zinc/29/89/37/211298937.db2.gz UNEPOJHJJOXWLE-LBPRGKRZSA-N 0 0 348.472 3.121 50 0 EGAARN Cc1ccsc1C(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000012005289 211279680 /nfs/dbraw/zinc/27/96/80/211279680.db2.gz UOGDYRYVTBXPJO-INIZCTEOSA-N 0 0 342.464 3.020 50 0 EGAARN Cc1ccc(SCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 ZINC000011990457 211275578 /nfs/dbraw/zinc/27/55/78/211275578.db2.gz WNWVBKGXYULZCQ-GFCCVEGCSA-N 0 0 335.454 3.429 50 0 EGAARN CCc1ccc(CN(C)C(=O)c2cnc(-c3ccccn3)nc2O)cc1 ZINC000091391411 218001618 /nfs/dbraw/zinc/00/16/18/218001618.db2.gz VFHUTEPGAMOSJY-UHFFFAOYSA-N 0 0 348.406 3.079 50 0 EGAARN O=C(C[C@@H](c1cccc(O)c1)c1ccccc1Cl)N1CCOCC1 ZINC000011945445 211273869 /nfs/dbraw/zinc/27/38/69/211273869.db2.gz PPOKTQLMTBLSJT-KRWDZBQOSA-N 0 0 345.826 3.426 50 0 EGAARN CCc1nnc(N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)s1 ZINC000091452038 218008251 /nfs/dbraw/zinc/00/82/51/218008251.db2.gz ZOPLYWKYBPSLRU-GOSISDBHSA-N 0 0 348.516 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ZINC000091575255 218023545 /nfs/dbraw/zinc/02/35/45/218023545.db2.gz WAUODEUTOOPJEI-UHFFFAOYSA-N 0 0 336.391 3.260 50 0 EGAARN O[C@H](c1ccccn1)C1CCN(c2ncnc3cc(F)ccc32)CC1 ZINC000091586199 218025699 /nfs/dbraw/zinc/02/56/99/218025699.db2.gz OSXALQWHHRBFBC-SFHVURJKSA-N 0 0 338.386 3.114 50 0 EGAARN CC(C)C(=O)N1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000011841890 211256692 /nfs/dbraw/zinc/25/66/92/211256692.db2.gz KXZVGVCFQOJODZ-HXUWFJFHSA-N 0 0 334.504 3.454 50 0 EGAARN O=C(N[C@H]1COC2(C1)CCCCC2)c1cc(-c2ccccc2O)n[nH]1 ZINC000091602659 218030725 /nfs/dbraw/zinc/03/07/25/218030725.db2.gz PHBXZLLIUUBGRM-CYBMUJFWSA-N 0 0 341.411 3.004 50 0 EGAARN CC(C)Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3)C2)n(C)n1 ZINC000091693980 218048962 /nfs/dbraw/zinc/04/89/62/218048962.db2.gz WXPUBCHSQHJIJV-QGZVFWFLSA-N 0 0 325.456 3.323 50 0 EGAARN Cc1ccc(NC(=O)Nc2ccc(-c3ccc(=O)n(C)n3)cc2)cc1 ZINC000011694510 211237054 /nfs/dbraw/zinc/23/70/54/211237054.db2.gz VBWLUCODQWOFIB-UHFFFAOYSA-N 0 0 334.379 3.400 50 0 EGAARN CCCN1CCC[C@]2(CCN(c3nc(C)nc4ccsc43)C2)C1=O ZINC000091663490 218042293 /nfs/dbraw/zinc/04/22/93/218042293.db2.gz JKELMKXWTPMNFT-GOSISDBHSA-N 0 0 344.484 3.229 50 0 EGAARN CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N1CCC[C@H](C)C1 ZINC000011692233 211234940 /nfs/dbraw/zinc/23/49/40/211234940.db2.gz DIHOTOYOZVJZPB-ZDUSSCGKSA-N 0 0 343.423 3.301 50 0 EGAARN CCCc1nc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cs1 ZINC000091754677 218059108 /nfs/dbraw/zinc/05/91/08/218059108.db2.gz VSEAXWNUEKZFJI-CYBMUJFWSA-N 0 0 343.452 3.226 50 0 EGAARN Cc1c2ccc(C)c(C)c2oc1C(=O)NCCN1CCCCC1=O ZINC000011662310 211230679 /nfs/dbraw/zinc/23/06/79/211230679.db2.gz KJHMXESZDZRZFT-UHFFFAOYSA-N 0 0 328.412 3.100 50 0 EGAARN Cn1cccc1C(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091769205 218062848 /nfs/dbraw/zinc/06/28/48/218062848.db2.gz NIYQSJYWDNQSEA-FQEVSTJZSA-N 0 0 340.423 3.239 50 0 EGAARN CC(C)=CC[C@]1(CO)CCCN(C(=O)CCc2c(C)noc2C)C1 ZINC000091781675 218065507 /nfs/dbraw/zinc/06/55/07/218065507.db2.gz BODQSGQWFUIGNT-LJQANCHMSA-N 0 0 334.460 3.181 50 0 EGAARN CCn1nc(CC(C)C)cc1C(=O)N(C)Cc1noc2c1CCCC2 ZINC000091914572 218088265 /nfs/dbraw/zinc/08/82/65/218088265.db2.gz QSGNMKBUZIIBIC-UHFFFAOYSA-N 0 0 344.459 3.241 50 0 EGAARN Fc1cccc(-n2cc(CNc3ccnc(C(F)(F)F)n3)cn2)c1 ZINC000091934064 218091448 /nfs/dbraw/zinc/09/14/48/218091448.db2.gz KTGGSLCAJOJNSW-UHFFFAOYSA-N 0 0 337.280 3.432 50 0 EGAARN Cc1ccc([C@H](c2cccnc2)n2cc(-c3nccn3C)nn2)cc1C ZINC000091943818 218092577 /nfs/dbraw/zinc/09/25/77/218092577.db2.gz DJIVSTQRUUIWRV-LJQANCHMSA-N 0 0 344.422 3.328 50 0 EGAARN CCn1ccnc1C1CCN(C(=O)c2cccnc2SC)CC1 ZINC000091943677 218092587 /nfs/dbraw/zinc/09/25/87/218092587.db2.gz LVJPCWRJRVSHBY-UHFFFAOYSA-N 0 0 330.457 3.040 50 0 EGAARN CCCc1nc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cs1 ZINC000092077177 218116473 /nfs/dbraw/zinc/11/64/73/218116473.db2.gz GPPSGRMQNZOHKY-MRXNPFEDSA-N 0 0 329.469 3.225 50 0 EGAARN CCN1C[C@H](NC(=O)c2sc3cccc(F)c3c2Cl)CC1=O ZINC000092062498 218113043 /nfs/dbraw/zinc/11/30/43/218113043.db2.gz VKKORGDDBPHPAV-MRVPVSSYSA-N 0 0 340.807 3.044 50 0 EGAARN C[C@@H]1CC(C)(C)N2c3c(cccc31)[C@]1(Nc3ccccc3C(=O)N1)C2=O ZINC000018029977 296286450 /nfs/dbraw/zinc/28/64/50/296286450.db2.gz FMKAEQWUDYPHGW-XUSGNXJCSA-N 0 0 347.418 3.327 50 0 biogenic EGAARN COc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)n[nH]2)c(OC)c1 ZINC000010273135 211160300 /nfs/dbraw/zinc/16/03/00/211160300.db2.gz QTEOKZHAQYRKDT-UHFFFAOYSA-N 0 0 349.350 3.206 50 0 EGAARN Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)c(C)c1 ZINC000010274225 211159711 /nfs/dbraw/zinc/15/97/11/211159711.db2.gz AGNZZURFUZUESZ-UHFFFAOYSA-N 0 0 342.420 3.254 50 0 EGAARN CSc1ccc(CC(=O)Nc2nnc(-c3cccnc3)o2)cc1 ZINC000010252424 211157358 /nfs/dbraw/zinc/15/73/58/211157358.db2.gz AVRMKRGBKJLBSO-UHFFFAOYSA-N 0 0 326.381 3.035 50 0 EGAARN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314358 211162488 /nfs/dbraw/zinc/16/24/88/211162488.db2.gz GHSNGMKTDCIPTB-AWEZNQCLSA-N 0 0 346.452 3.324 50 0 EGAARN CCOc1ccccc1NC(=O)[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000009970567 211137616 /nfs/dbraw/zinc/13/76/16/211137616.db2.gz DBGHVESIRKDQEB-INIZCTEOSA-N 0 0 345.782 3.459 50 0 EGAARN c1ccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 ZINC000009691573 211116024 /nfs/dbraw/zinc/11/60/24/211116024.db2.gz HNTUWEZDVRVSFY-UHFFFAOYSA-N 0 0 337.364 3.474 50 0 EGAARN CCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000009818970 211123718 /nfs/dbraw/zinc/12/37/18/211123718.db2.gz MVJBORJELYCKJJ-UHFFFAOYSA-N 0 0 343.379 3.141 50 0 EGAARN CCOCCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000009818826 211123576 /nfs/dbraw/zinc/12/35/76/211123576.db2.gz GVRWUPIGJXKGSQ-UHFFFAOYSA-N 0 0 343.379 3.141 50 0 EGAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)Nc1ccc(F)cc1F ZINC000009547977 211101115 /nfs/dbraw/zinc/10/11/15/211101115.db2.gz ROEIPYDCZJOZOE-UHFFFAOYSA-N 0 0 345.301 3.266 50 0 EGAARN COc1ccc(-c2nnc(NC(=O)COc3ccccc3)s2)cc1 ZINC000009357122 211073832 /nfs/dbraw/zinc/07/38/32/211073832.db2.gz SHEDGANXJHTCSK-UHFFFAOYSA-N 0 0 341.392 3.231 50 0 EGAARN COC(=O)c1sc2nc(-c3ccc(OC)cc3)nc(C)c2c1N ZINC000009341677 211072342 /nfs/dbraw/zinc/07/23/42/211072342.db2.gz MFEHIKPCBCTFRE-UHFFFAOYSA-N 0 0 329.381 3.044 50 0 EGAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3nccs3)ccc12 ZINC000009305353 211063062 /nfs/dbraw/zinc/06/30/62/211063062.db2.gz XHMXVJBXJILGFK-UHFFFAOYSA-N 0 0 344.392 3.220 50 0 EGAARN CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1 ZINC000009234199 211056932 /nfs/dbraw/zinc/05/69/32/211056932.db2.gz PBMMFACWLDDYAE-UHFFFAOYSA-N 0 0 335.407 3.284 50 0 EGAARN Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)n1 ZINC000009197910 211051396 /nfs/dbraw/zinc/05/13/96/211051396.db2.gz NPNPICHBCXNTFI-CYBMUJFWSA-N 0 0 329.425 3.060 50 0 EGAARN Cc1ccc(F)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000009154378 211045787 /nfs/dbraw/zinc/04/57/87/211045787.db2.gz IWPJJVJLVBRRSC-CQSZACIVSA-N 0 0 332.400 3.439 50 0 EGAARN COc1ccc2c(C)c(CC(=O)Nc3nc(C)cs3)c(=O)oc2c1 ZINC000009134613 211043044 /nfs/dbraw/zinc/04/30/44/211043044.db2.gz CGWCOBFDPYXPGU-UHFFFAOYSA-N 0 0 344.392 3.056 50 0 EGAARN Cc1noc(C)c1CCCNC(=O)c1cc2cccc(C)c2n1C ZINC000095352800 218287063 /nfs/dbraw/zinc/28/70/63/218287063.db2.gz VGIIQXPSVSHUEJ-UHFFFAOYSA-N 0 0 325.412 3.454 50 0 EGAARN CCOc1nn(CC)cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009070094 211037901 /nfs/dbraw/zinc/03/79/01/211037901.db2.gz IQQMZVXJUZNARV-UHFFFAOYSA-N 0 0 341.455 3.397 50 0 EGAARN Cc1ncsc1CCN(C)C(=O)[C@@H](c1cccc(C)c1)N(C)C ZINC000095355518 218289830 /nfs/dbraw/zinc/28/98/30/218289830.db2.gz MSOFZOKWNLYHOZ-QGZVFWFLSA-N 0 0 331.485 3.064 50 0 EGAARN Nc1nnc(S[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 ZINC000009027064 211031536 /nfs/dbraw/zinc/03/15/36/211031536.db2.gz JNJUOBUCXULVSZ-ZDUSSCGKSA-N 0 0 348.497 3.403 50 0 EGAARN O=C(NCc1ccon1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095371743 218303949 /nfs/dbraw/zinc/30/39/49/218303949.db2.gz RFEWPCQEDXGIBP-UHFFFAOYSA-N 0 0 336.326 3.058 50 0 EGAARN Cc1ccc(N2C[C@H](CNC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 ZINC000008985392 211025494 /nfs/dbraw/zinc/02/54/94/211025494.db2.gz BMYWVGQAAQLZSI-KRWDZBQOSA-N 0 0 336.435 3.395 50 0 EGAARN COc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1OC ZINC000008983754 211025080 /nfs/dbraw/zinc/02/50/80/211025080.db2.gz OCZDWUODLJNATO-UHFFFAOYSA-N 0 0 339.347 3.371 50 0 EGAARN Cc1cc(NCc2cncn2C2CC2)nc(Nc2cccc(O)c2)n1 ZINC000095380226 218312361 /nfs/dbraw/zinc/31/23/61/218312361.db2.gz BVAUYKMNJYIKIW-UHFFFAOYSA-N 0 0 336.399 3.378 50 0 EGAARN O=C1NC[C@@H](c2ccc(Cl)cc2)Cc2nc(-c3nccs3)[nH]c21 ZINC000095380505 218312404 /nfs/dbraw/zinc/31/24/04/218312404.db2.gz HOJIOCYBZXPFDV-JTQLQIEISA-N 0 0 344.827 3.256 50 0 EGAARN CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 ZINC000008915634 211017568 /nfs/dbraw/zinc/01/75/68/211017568.db2.gz FLWJCUQSOXPFKQ-UHFFFAOYSA-N 0 0 339.351 3.396 50 0 EGAARN C[C@H](c1cncs1)N(C)C(=O)Cn1ccnc1-c1ccccc1 ZINC000095382937 218316050 /nfs/dbraw/zinc/31/60/50/218316050.db2.gz DGUCEAMPADEQAO-CYBMUJFWSA-N 0 0 326.425 3.226 50 0 EGAARN O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2[nH]ccc2c1 ZINC000008764270 211002240 /nfs/dbraw/zinc/00/22/40/211002240.db2.gz UBDRKROQZCRZRB-UHFFFAOYSA-N 0 0 334.331 3.292 50 0 biogenic EGAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000008766469 211001816 /nfs/dbraw/zinc/00/18/16/211001816.db2.gz BKDMXMJWVWDWJF-HNNXBMFYSA-N 0 0 347.374 3.384 50 0 EGAARN CC(=O)c1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1 ZINC000008715373 210989779 /nfs/dbraw/zinc/98/97/79/210989779.db2.gz PYFTWINECQBYLR-UHFFFAOYSA-N 0 0 340.770 3.376 50 0 EGAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)NC1CCCC1 ZINC000007616047 210821137 /nfs/dbraw/zinc/82/11/37/210821137.db2.gz DFUPCGYLECLULT-UHFFFAOYSA-N 0 0 347.418 3.122 50 0 EGAARN CCOC(=O)[C@@H]1CCc2[nH]c(=NC(=O)OC(C)(C)C)sc2C1 ZINC000096029260 218516416 /nfs/dbraw/zinc/51/64/16/218516416.db2.gz GVLNPESDGWKYEA-SECBINFHSA-N 0 0 326.418 3.158 50 0 EGAARN COc1ccccc1N1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC000007123889 210761052 /nfs/dbraw/zinc/76/10/52/210761052.db2.gz FPDQCYQPEUWMME-UHFFFAOYSA-N 0 0 335.407 3.139 50 0 EGAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NCc2ccc(F)cc2)[C@@H]1C ZINC000006764045 210705987 /nfs/dbraw/zinc/70/59/87/210705987.db2.gz KLMMRKLJWSKXBR-CPUCHLNUSA-N 0 0 334.435 3.163 50 0 EGAARN Cc1cccc2c(C(=O)N3CCOCC3)cc(-c3cccnc3)nc12 ZINC000006789489 210713039 /nfs/dbraw/zinc/71/30/39/210713039.db2.gz MJFFEZOBAPDKOP-UHFFFAOYSA-N 0 0 333.391 3.078 50 0 EGAARN CC(C)CNC(=O)c1cccc(NC(=O)COc2ccccc2)c1 ZINC000006702577 210686102 /nfs/dbraw/zinc/68/61/02/210686102.db2.gz HLQPHNQFKHZPBP-UHFFFAOYSA-N 0 0 326.396 3.090 50 0 EGAARN CCOC(=O)c1c2ccccc2sc1NC(=O)c1cnccn1 ZINC000006047517 210581340 /nfs/dbraw/zinc/58/13/40/210581340.db2.gz RZKSIOKQLXRQMM-UHFFFAOYSA-N 0 0 327.365 3.120 50 0 EGAARN CCOC(=O)C1CCN(C(=O)CSCc2ccc(C)cc2)CC1 ZINC000005868926 210551132 /nfs/dbraw/zinc/55/11/32/210551132.db2.gz DEMBPZMOPXGOGF-UHFFFAOYSA-N 0 0 335.469 3.030 50 0 EGAARN CCc1c(C)[nH]c2cc(-c3cccc(Br)c3)nn2c1=O ZINC000005686734 210515933 /nfs/dbraw/zinc/51/59/33/210515933.db2.gz PYVGQIXPLMXLHK-UHFFFAOYSA-N 0 0 332.201 3.323 50 0 EGAARN COc1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000005558463 210489675 /nfs/dbraw/zinc/48/96/75/210489675.db2.gz OLPTVOFBVUULCT-UHFFFAOYSA-N 0 0 327.380 3.426 50 0 EGAARN COc1ccc(NC(=O)c2c(F)cccc2F)cc1N1CCCC1=O ZINC000005440890 210464563 /nfs/dbraw/zinc/46/45/63/210464563.db2.gz SNBJBDKXSOFAFO-UHFFFAOYSA-N 0 0 346.333 3.353 50 0 EGAARN O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1F ZINC000005250633 210424723 /nfs/dbraw/zinc/42/47/23/210424723.db2.gz JAVJLSKWUGWSKO-UHFFFAOYSA-N 0 0 348.399 3.008 50 0 EGAARN O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 ZINC000005220823 210417186 /nfs/dbraw/zinc/41/71/86/210417186.db2.gz IJVLMSRZBXRCSP-AWEZNQCLSA-N 0 0 332.762 3.014 50 0 EGAARN C[C@@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005195360 210410924 /nfs/dbraw/zinc/41/09/24/210410924.db2.gz XSBMQZDTJMANFF-OCCSQVGLSA-N 0 0 335.835 3.029 50 0 EGAARN Cc1cc(=O)[nH]c(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000005129376 210395996 /nfs/dbraw/zinc/39/59/96/210395996.db2.gz WFBDPGPOKYUMOD-IACUBPJLSA-N 0 0 338.473 3.174 50 0 EGAARN CCc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000005123501 210395259 /nfs/dbraw/zinc/39/52/59/210395259.db2.gz XKPGSAMHKPAMNT-QGZVFWFLSA-N 0 0 337.423 3.484 50 0 EGAARN N=C1SC(CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000005055076 210377709 /nfs/dbraw/zinc/37/77/09/210377709.db2.gz NQFXBQNPMRFFQE-AWEZNQCLSA-N 0 0 343.383 3.238 50 0 EGAARN COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000004957921 210338899 /nfs/dbraw/zinc/33/88/99/210338899.db2.gz WKWOIXOXUWQHEB-UHFFFAOYSA-N 0 0 345.439 3.411 50 0 EGAARN CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C ZINC000004913532 210320271 /nfs/dbraw/zinc/32/02/71/210320271.db2.gz LVWLLKLOBCRMJU-HNNXBMFYSA-N 0 0 333.453 3.169 50 0 EGAARN COc1ccc(Br)cc1/C=C\C(=O)NCc1cccnc1 ZINC000004907227 210319751 /nfs/dbraw/zinc/31/97/51/210319751.db2.gz HVJPBWMXIPYLKG-DAXSKMNVSA-N 0 0 347.212 3.182 50 0 EGAARN COc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1 ZINC000004894856 210315171 /nfs/dbraw/zinc/31/51/71/210315171.db2.gz DUVQNPPLGABLOL-UHFFFAOYSA-N 0 0 325.393 3.251 50 0 EGAARN CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc(C)on2)cc1 ZINC000004857329 210303875 /nfs/dbraw/zinc/30/38/75/210303875.db2.gz AMQXALWLBAFUNU-INIZCTEOSA-N 0 0 343.427 3.329 50 0 EGAARN CCSc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000004855032 210301726 /nfs/dbraw/zinc/30/17/26/210301726.db2.gz OKCMLENGTVWIQT-UHFFFAOYSA-N 0 0 334.445 3.404 50 0 EGAARN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(OC)c1 ZINC000004851515 210299696 /nfs/dbraw/zinc/29/96/96/210299696.db2.gz MXZLFMKUWZWILQ-UHFFFAOYSA-N 0 0 326.396 3.430 50 0 EGAARN O=c1c2ccccc2ncn1CCOc1cccc(C(F)(F)F)c1 ZINC000004868707 210308461 /nfs/dbraw/zinc/30/84/61/210308461.db2.gz NEWFXWALXOXBLY-UHFFFAOYSA-N 0 0 334.297 3.494 50 0 EGAARN Cc1nnc2sc(-c3ccccc3NC(=O)c3cccs3)nn12 ZINC000004867148 210307318 /nfs/dbraw/zinc/30/73/18/210307318.db2.gz QNOMRFXJYOEMGL-UHFFFAOYSA-N 0 0 341.421 3.475 50 0 EGAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000004866637 210307017 /nfs/dbraw/zinc/30/70/17/210307017.db2.gz QBIGVEZTYFYPKY-UHFFFAOYSA-N 0 0 332.425 3.169 50 0 EGAARN COc1ccc(-c2cc(C(=O)NCCCc3ccco3)[nH]n2)cc1 ZINC000097272494 219008061 /nfs/dbraw/zinc/00/80/61/219008061.db2.gz CCLQXPRUZGUGHR-UHFFFAOYSA-N 0 0 325.368 3.041 50 0 EGAARN CCOc1ccccc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000004817262 210285792 /nfs/dbraw/zinc/28/57/92/210285792.db2.gz SQEDJZYPCJEJQA-KRWDZBQOSA-N 0 0 329.352 3.384 50 0 EGAARN CC(=O)N(C)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000004840014 210294315 /nfs/dbraw/zinc/29/43/15/210294315.db2.gz HTBDLNKWIICXSE-UHFFFAOYSA-N 0 0 326.396 3.304 50 0 EGAARN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC(c2cccc(O)c2)CC1 ZINC000097394184 219022161 /nfs/dbraw/zinc/02/21/61/219022161.db2.gz WTCCRSNGAINGIG-UHFFFAOYSA-N 0 0 339.317 3.154 50 0 EGAARN O=C(c1cnc2c(c1)CCCC2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000097492407 219029223 /nfs/dbraw/zinc/02/92/23/219029223.db2.gz QGMCQIYRZXJMJX-IBGZPJMESA-N 0 0 340.398 3.313 50 0 EGAARN COC(=O)c1cc2nc(C)oc2c(NC(=O)CCc2ccccc2)c1 ZINC000004786546 210278526 /nfs/dbraw/zinc/27/85/26/210278526.db2.gz UMNFZKOUOOBYSZ-UHFFFAOYSA-N 0 0 338.363 3.494 50 0 EGAARN CCCCN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1 ZINC000097522710 219032504 /nfs/dbraw/zinc/03/25/04/219032504.db2.gz QRJRNDMLMDIBGL-UHFFFAOYSA-N 0 0 347.422 3.376 50 0 EGAARN O=C(NCCCn1ccc2ccccc21)[C@H]1CC(=O)OC12CCCC2 ZINC000097522703 219032740 /nfs/dbraw/zinc/03/27/40/219032740.db2.gz CLWDRRYHVFOSTO-MRXNPFEDSA-N 0 0 340.423 3.024 50 0 EGAARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000004753880 210271248 /nfs/dbraw/zinc/27/12/48/210271248.db2.gz IWNLBDUSTHERMH-CQSZACIVSA-N 0 0 326.371 3.380 50 0 EGAARN COCCc1noc([C@H]2CCCCN2Cc2coc(C(C)C)n2)n1 ZINC000097572161 219036739 /nfs/dbraw/zinc/03/67/39/219036739.db2.gz BUVGIOYOVUZGHY-CQSZACIVSA-N 0 0 334.420 3.097 50 0 EGAARN O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccccc1 ZINC000005138922 285215096 /nfs/dbraw/zinc/21/50/96/285215096.db2.gz WLHYXZFRTFNJDG-UHFFFAOYSA-N 0 0 336.782 3.284 50 0 EGAARN CO[C@H](CNS(=O)(=O)Cc1ccccc1)c1ccccc1Cl ZINC000153787707 224157633 /nfs/dbraw/zinc/15/76/33/224157633.db2.gz RSAYMXUNZACWSX-MRXNPFEDSA-N 0 0 339.844 3.147 50 0 EGAARN Cc1nc(N)sc1CC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426623206 257960987 /nfs/dbraw/zinc/96/09/87/257960987.db2.gz KIXACXNUCNRYPU-CQSZACIVSA-N 0 0 329.469 3.059 50 0 EGAARN Cc1ccc(-c2cccc(C(=O)N(C)CCC[C@H]3CCCO3)c2)nn1 ZINC000426613026 257961614 /nfs/dbraw/zinc/96/16/14/257961614.db2.gz XRRRWSXTCOPZAB-SFHVURJKSA-N 0 0 339.439 3.483 50 0 EGAARN CC(C)N(C(=O)c1ccccc1-c1nc(C(N)=O)cs1)C(C)C ZINC000426547613 257963401 /nfs/dbraw/zinc/96/34/01/257963401.db2.gz LKZOKAAUXWQGAR-UHFFFAOYSA-N 0 0 331.441 3.168 50 0 EGAARN Nc1cncc(-c2ccc(C(=O)N(CCO)C3CCCCC3)cc2)c1 ZINC000426493129 257966149 /nfs/dbraw/zinc/96/61/49/257966149.db2.gz GTYWHPSHBRSKDN-UHFFFAOYSA-N 0 0 339.439 3.098 50 0 EGAARN CCCSCCNC(=O)c1cccc(-c2ccccc2C(N)=O)c1 ZINC000426383169 257970712 /nfs/dbraw/zinc/97/07/12/257970712.db2.gz 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/nfs/dbraw/zinc/09/65/84/258096584.db2.gz GAKGANNGHDVWDP-UHFFFAOYSA-N 0 0 330.432 3.209 50 0 EGAARN CCc1nccn1CC1(CNC(=O)c2cn(C)c3ccccc23)CC1 ZINC000299791175 258096686 /nfs/dbraw/zinc/09/66/86/258096686.db2.gz CSNSMEFZFZTRIS-UHFFFAOYSA-N 0 0 336.439 3.147 50 0 EGAARN CC1(CNC(=O)Nc2ccc(OCc3cccs3)cc2)COC1 ZINC000299792486 258097808 /nfs/dbraw/zinc/09/78/08/258097808.db2.gz FWMSVTZAPJNZCE-UHFFFAOYSA-N 0 0 332.425 3.485 50 0 EGAARN Cc1nc(CC(=O)NCc2nc3ccccc3n2C(C)C)cs1 ZINC000299794745 258099562 /nfs/dbraw/zinc/09/95/62/258099562.db2.gz MZNPFMUCDMIJSC-UHFFFAOYSA-N 0 0 328.441 3.241 50 0 EGAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCc2ccc(F)cc2[C@@H]1C ZINC000299802131 258104839 /nfs/dbraw/zinc/10/48/39/258104839.db2.gz XOLWTQIZUWWDOC-ZDUSSCGKSA-N 0 0 343.402 3.017 50 0 EGAARN CN(CC(=O)N1CC[C@H](c2ccccc2Cl)C1)Cc1ccccn1 ZINC000299802325 258105735 /nfs/dbraw/zinc/10/57/35/258105735.db2.gz YYFNMFDXWUAIIE-HNNXBMFYSA-N 0 0 343.858 3.183 50 0 EGAARN COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 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EGAARN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1CCCCCC1 ZINC000055069457 132193256 /nfs/dbraw/zinc/19/32/56/132193256.db2.gz KADLVRGRVUWBHF-UHFFFAOYSA-N 0 0 349.906 3.301 50 0 EGAARN COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)ccc1O ZINC000055543582 132195836 /nfs/dbraw/zinc/19/58/36/132195836.db2.gz ZPFYNXXLRHMMLP-UHFFFAOYSA-N 0 0 332.831 3.376 50 0 EGAARN Cc1nc2n(c(=O)c1C)CN(CCC(C)C)CN2c1ccccc1 ZINC000038829841 132397260 /nfs/dbraw/zinc/39/72/60/132397260.db2.gz LIJRWABYOFGFAR-UHFFFAOYSA-N 0 0 326.444 3.275 50 0 EGAARN CC(=O)c1ccc(N2CCC[C@](CO)(Cc3ccccc3C)C2)nc1 ZINC000067676294 132812336 /nfs/dbraw/zinc/81/23/36/132812336.db2.gz VWCQTDKOUNEKDI-NRFANRHFSA-N 0 0 338.451 3.414 50 0 EGAARN COc1cc2ccccc2cc1C(=O)N1CC(=O)Nc2ccccc21 ZINC000021009808 135723596 /nfs/dbraw/zinc/72/35/96/135723596.db2.gz MZLYQIGRQWWSHL-UHFFFAOYSA-N 0 0 332.359 3.447 50 0 EGAARN Cc1ccc(/C=C/C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)o1 ZINC000069441884 292039829 /nfs/dbraw/zinc/03/98/29/292039829.db2.gz LQHUXGRZMOQXJQ-FLVLSHQESA-N 0 0 338.407 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3.052 50 0 EGAARN COc1ccc(-c2nc(NC(=O)c3cc4ccccc4o3)n[nH]2)cc1 ZINC000011865302 274103750 /nfs/dbraw/zinc/10/37/50/274103750.db2.gz SUNINBIVIRNVPH-UHFFFAOYSA-N 0 0 334.335 3.479 50 0 EGAARN Cc1ccc(NC(=O)c2cc3ncc(Br)cn3n2)c(C)c1 ZINC000002794254 274753577 /nfs/dbraw/zinc/75/35/77/274753577.db2.gz BJMWUYIAQYPJGL-UHFFFAOYSA-N 0 0 345.200 3.361 50 0 EGAARN c1csc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn32)c1 ZINC000004511872 275074773 /nfs/dbraw/zinc/07/47/73/275074773.db2.gz LRVHDCNKEVDRFY-UHFFFAOYSA-N 0 0 342.405 3.353 50 0 EGAARN CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccsc1 ZINC000001389739 275820288 /nfs/dbraw/zinc/82/02/88/275820288.db2.gz ZSIHOKRSQISGJI-INIZCTEOSA-N 0 0 342.464 3.230 50 0 EGAARN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(F)(F)F)Cc2ccccc21 ZINC000215764884 275827075 /nfs/dbraw/zinc/82/70/75/275827075.db2.gz NPSQKXVMGCVILS-NSHDSACASA-N 0 0 344.333 3.031 50 0 EGAARN CCCCCCC(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl ZINC000019228687 275969969 /nfs/dbraw/zinc/96/99/69/275969969.db2.gz 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/nfs/dbraw/zinc/21/67/25/277216725.db2.gz MFTYHAFCJPJSFQ-UHFFFAOYSA-N 0 0 339.372 3.198 50 0 EGAARN COC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000000084080 277425435 /nfs/dbraw/zinc/42/54/35/277425435.db2.gz LBEZGOKIWFFCDU-UHFFFAOYSA-N 0 0 347.296 3.300 50 0 EGAARN COC(=O)c1cnn(-c2nc3ccc(OC)cc3s2)c1C(C)C ZINC000008715317 277448943 /nfs/dbraw/zinc/44/89/43/277448943.db2.gz YWJOXSNUFGNXQL-UHFFFAOYSA-N 0 0 331.397 3.401 50 0 EGAARN COc1ccc([C@@H]2Cc3c(cnn3-c3nc(C)cc(C)n3)C(=O)C2)cc1 ZINC000002332329 277929537 /nfs/dbraw/zinc/92/95/37/277929537.db2.gz QUYCKUSSFBRZPQ-OAHLLOKOSA-N 0 0 348.406 3.200 50 0 EGAARN Cc1cccc2c1nc1s/c(=C/c3ccc(F)cc3F)c(=O)n21 ZINC000004657304 278941934 /nfs/dbraw/zinc/94/19/34/278941934.db2.gz MNRJCYYPGVSVOG-VGOFMYFVSA-N 0 0 328.343 3.044 50 0 EGAARN Cc1cnc2c(Cl)c(C(=O)N[C@H]3CCCc4ccccc43)nn2c1 ZINC000216466067 279022214 /nfs/dbraw/zinc/02/22/14/279022214.db2.gz DNPCJWFGFVJUDU-AWEZNQCLSA-N 0 0 340.814 3.499 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C)cc1 ZINC000002487066 279530059 /nfs/dbraw/zinc/53/00/59/279530059.db2.gz WSECQKFCATXUKE-SWLSCSKDSA-N 0 0 344.436 3.207 50 0 EGAARN NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000000184458 279598636 /nfs/dbraw/zinc/59/86/36/279598636.db2.gz ZAQMSYLPAYCAHT-GXSJLCMTSA-N 0 0 344.724 3.296 50 0 EGAARN CC(C)n1c(=O)c2c([nH]c1=S)OC[C@@H]1COc3ccccc3[C@H]21 ZINC000008972288 280749403 /nfs/dbraw/zinc/74/94/03/280749403.db2.gz PWKNUUJFHPSLID-GXFFZTMASA-N 0 0 330.409 3.020 50 0 biogenic EGAARN Cc1ccc2c(=O)cc(C(=O)Nc3onc4c3C[C@H](C)CC4)oc2c1 ZINC000027795503 281039203 /nfs/dbraw/zinc/03/92/03/281039203.db2.gz QDFDQEXNEMZCSK-SNVBAGLBSA-N 0 0 338.363 3.467 50 0 EGAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccco1 ZINC000008610068 281349249 /nfs/dbraw/zinc/34/92/49/281349249.db2.gz ZITZDECSBMNMPW-INIZCTEOSA-N 0 0 335.367 3.107 50 0 EGAARN CC1(C)OC(=O)C2(Cc3ccc(Cl)cc3N3CCCC[C@H]32)C(=O)O1 ZINC000004915445 281399068 /nfs/dbraw/zinc/39/90/68/281399068.db2.gz HAVUYPWBKGZTJS-AWEZNQCLSA-N 0 0 349.814 3.078 50 0 EGAARN Cc1nc(NC(=O)CCn2sc3ccccc3c2=O)sc1C ZINC000040267992 281952683 /nfs/dbraw/zinc/95/26/83/281952683.db2.gz OLPTXHRIDIAVHI-UHFFFAOYSA-N 0 0 333.438 3.165 50 0 EGAARN Fc1cc(I)ccc1I ZINC000063457978 294737455 /nfs/dbraw/zinc/73/74/55/294737455.db2.gz IQTKOCIDYDYDSB-UHFFFAOYSA-N 0 0 347.896 3.035 50 0 EGAARN COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1F)CC(=O)N2 ZINC000001058281 295031752 /nfs/dbraw/zinc/03/17/52/295031752.db2.gz WDRFBEQFCVGFPK-LLVKDONJSA-N 0 0 331.343 3.326 50 0 EGAARN NC(=O)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000003355477 295036070 /nfs/dbraw/zinc/03/60/70/295036070.db2.gz FHYSSRUYLVHDBS-UHFFFAOYSA-N 0 0 338.436 3.060 50 0 EGAARN Cc1ccc(N(C(=O)C2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000009415790 301618009 /nfs/dbraw/zinc/61/80/09/301618009.db2.gz NRFPMQZSOPRIPS-QGZVFWFLSA-N 0 0 333.453 3.219 50 0 EGAARN Cc1cc(S(=O)(=O)N(C)Cc2cscn2)c(Cl)cc1F ZINC000155933585 307823759 /nfs/dbraw/zinc/82/37/59/307823759.db2.gz CBMHDLSMMIFCIJ-UHFFFAOYSA-N 0 0 334.825 3.065 50 0 EGAARN CC(=O)NCC1=CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000065456660 454569992 /nfs/dbraw/zinc/56/99/92/454569992.db2.gz OUEKFDHJNQYINM-UHFFFAOYSA-N 0 0 330.325 3.113 50 0 EGAARN COC(=O)Cc1ccc(F)c(Br)c1Br ZINC000263622799 456178765 /nfs/dbraw/zinc/17/87/65/456178765.db2.gz AZGWAQZCQGXPBG-UHFFFAOYSA-N 0 0 325.959 3.066 50 0 EGAARN Cc1ccc(O[C@H]2CCN(C(=O)CSc3ccc(F)cc3)C2)nc1 ZINC000238860574 455259649 /nfs/dbraw/zinc/25/96/49/455259649.db2.gz KOMCVPAIJOMGCL-HNNXBMFYSA-N 0 0 346.427 3.301 50 0 EGAARN CC(C)NC(=O)c1ccccc1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000240203784 455263704 /nfs/dbraw/zinc/26/37/04/455263704.db2.gz JTGRSLYGYIQRIL-INIZCTEOSA-N 0 0 336.435 3.420 50 0 EGAARN CCc1cc(C[N@H+](C)CCC(=O)Nc2ccc3c(c2)CCC3)on1 ZINC000244866631 455277083 /nfs/dbraw/zinc/27/70/83/455277083.db2.gz VZNCSSZVWYHNME-UHFFFAOYSA-N 0 0 327.428 3.186 50 0 EGAARN COc1ccc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cc1C ZINC000244894052 455277154 /nfs/dbraw/zinc/27/71/54/455277154.db2.gz YZDNXPAELVRNMI-GUDVDZBRSA-N 0 0 339.435 3.116 50 0 EGAARN COc1ccc2cc(S(=O)(=O)NCc3ccccc3)ccc2c1 ZINC000000036382 452493629 /nfs/dbraw/zinc/49/36/29/452493629.db2.gz QCJHGRYFCMRRTM-UHFFFAOYSA-N 0 0 327.405 3.327 50 0 EGAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000000037321 452493872 /nfs/dbraw/zinc/49/38/72/452493872.db2.gz DUHNOHMMQOKTIB-LBPRGKRZSA-N 0 0 328.368 3.060 50 0 EGAARN Cc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000000080236 452500336 /nfs/dbraw/zinc/50/03/36/452500336.db2.gz UCTYFAZOANZYDK-UHFFFAOYSA-N 0 0 346.452 3.017 50 0 EGAARN Cc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C ZINC000000087289 452503420 /nfs/dbraw/zinc/50/34/20/452503420.db2.gz DKWPGMHILKKDMR-UHFFFAOYSA-N 0 0 340.437 3.435 50 0 EGAARN COc1ccc(S(=O)(=O)Nc2ccccc2C)c2cccnc12 ZINC000000092425 452504863 /nfs/dbraw/zinc/50/48/63/452504863.db2.gz TWLFOBDDBQUWHN-UHFFFAOYSA-N 0 0 328.393 3.353 50 0 EGAARN COc1ccc(-c2c3c(nc4ncnn42)-c2ccccc2C3=O)cc1 ZINC000000098803 452506753 /nfs/dbraw/zinc/50/67/53/452506753.db2.gz WCFGCPGEXVOJHE-UHFFFAOYSA-N 0 0 328.331 3.011 50 0 EGAARN COC(=O)c1c2c(sc1NC(=O)c1cccnc1)C[C@H](C)CC2 ZINC000000137902 452517584 /nfs/dbraw/zinc/51/75/84/452517584.db2.gz VNONCQJXVPFARK-SNVBAGLBSA-N 0 0 330.409 3.307 50 0 EGAARN CCOC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000000137854 452517839 /nfs/dbraw/zinc/51/78/39/452517839.db2.gz AMXOXXXCLZCYME-UHFFFAOYSA-N 0 0 349.818 3.165 50 0 EGAARN COc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O ZINC000000168555 452525486 /nfs/dbraw/zinc/52/54/86/452525486.db2.gz DXYAVLCWRZQEHK-UHFFFAOYSA-N 0 0 338.816 3.378 50 0 EGAARN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)c1 ZINC000000180966 452528911 /nfs/dbraw/zinc/52/89/11/452528911.db2.gz PLJZMDNIQWAMOV-KRWDZBQOSA-N 0 0 344.411 3.199 50 0 EGAARN CCOc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000000180620 452529118 /nfs/dbraw/zinc/52/91/18/452529118.db2.gz JGAQJJXVBFNXOG-QGZVFWFLSA-N 0 0 329.352 3.384 50 0 EGAARN CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000000181560 452529368 /nfs/dbraw/zinc/52/93/68/452529368.db2.gz FFNQJKIDNJPEHX-LLVKDONJSA-N 0 0 348.708 3.073 50 0 EGAARN CCSc1nnc2c(n1)O[C@H](C)N(C(=O)CC)c1ccccc1-2 ZINC000000199554 452533668 /nfs/dbraw/zinc/53/36/68/452533668.db2.gz KKNGRTKFECVGBT-SNVBAGLBSA-N 0 0 330.413 3.132 50 0 EGAARN CCN1CCN(C(=O)c2ccc(COc3cccc(Cl)c3)o2)CC1 ZINC000000205141 452535331 /nfs/dbraw/zinc/53/53/31/452535331.db2.gz KNQFAQLLGHYERF-UHFFFAOYSA-N 0 0 348.830 3.290 50 0 EGAARN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC)NC(=O)N1C ZINC000000203943 452535374 /nfs/dbraw/zinc/53/53/74/452535374.db2.gz PWQHQIVBBHXLLJ-QGZVFWFLSA-N 0 0 346.427 3.399 50 0 EGAARN COc1ccc(CCNc2nc(C)cc(C(F)(F)F)n2)cc1OC ZINC000000215045 452539346 /nfs/dbraw/zinc/53/93/46/452539346.db2.gz ZEAQSBDZQFTMIM-UHFFFAOYSA-N 0 0 341.333 3.476 50 0 EGAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 ZINC000000264629 452550086 /nfs/dbraw/zinc/55/00/86/452550086.db2.gz 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/nfs/dbraw/zinc/57/08/04/452570804.db2.gz FLRKLRUJPSAGHK-UHFFFAOYSA-N 0 0 331.274 3.332 50 0 EGAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1 ZINC000000361372 452571483 /nfs/dbraw/zinc/57/14/83/452571483.db2.gz LVEQSCNEZQKOCF-UHFFFAOYSA-N 0 0 343.452 3.278 50 0 EGAARN O=C(NCc1cccc(CNC(=O)C2CCCC2)c1)C1CCCC1 ZINC000000376068 452573584 /nfs/dbraw/zinc/57/35/84/452573584.db2.gz MODRIQIFAGTPMU-UHFFFAOYSA-N 0 0 328.456 3.299 50 0 EGAARN COc1ccccc1N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl ZINC000000374290 452574374 /nfs/dbraw/zinc/57/43/74/452574374.db2.gz ZOZHPQYUSLNMCJ-SNVBAGLBSA-N 0 0 340.638 3.075 50 0 EGAARN COC(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12 ZINC000000382392 452576251 /nfs/dbraw/zinc/57/62/51/452576251.db2.gz RVOUOLVIILKICI-UHFFFAOYSA-N 0 0 328.412 3.267 50 0 aggregator EGAARN O[C@H](COc1ccc(Cl)cc1)[C@@H](O)COc1ccc(Cl)cc1 ZINC000000395339 452578685 /nfs/dbraw/zinc/57/86/85/452578685.db2.gz JXSABZZWLVGFKQ-IYBDPMFKSA-N 0 0 343.206 3.173 50 0 EGAARN CCOC(=O)c1cc2c(C)sc(C)c2cc(C(=O)OCC)c1=O ZINC000000405081 452579315 /nfs/dbraw/zinc/57/93/15/452579315.db2.gz GOZFBSHSMNBERT-UHFFFAOYSA-N 0 0 334.393 3.232 50 0 EGAARN Cc1ccc(OC[C@@H](O)[C@H](O)COc2ccc(C)c(C)c2)cc1C ZINC000000395348 452579359 /nfs/dbraw/zinc/57/93/59/452579359.db2.gz IOULZTMUNPWENF-WOJBJXKFSA-N 0 0 330.424 3.100 50 0 EGAARN O=C(Nc1nc2ccccc2[nH]1)c1cc(Br)ccc1O ZINC000000408136 452579538 /nfs/dbraw/zinc/57/95/38/452579538.db2.gz XUPQHNBWKHKSJE-UHFFFAOYSA-N 0 0 332.157 3.283 50 0 EGAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2C)cc1 ZINC000000422188 452585108 /nfs/dbraw/zinc/58/51/08/452585108.db2.gz VTLVIPINKQBWJI-UHFFFAOYSA-N 0 0 339.420 3.466 50 0 EGAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccco2)NC(=S)N1 ZINC000000432708 452590382 /nfs/dbraw/zinc/59/03/82/452590382.db2.gz VAUPVEMGVBDGAG-CQSZACIVSA-N 0 0 347.827 3.365 50 0 EGAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CCC(C)CC1 ZINC000000450431 452594343 /nfs/dbraw/zinc/59/43/43/452594343.db2.gz BREJTGIUWRWESV-UHFFFAOYSA-N 0 0 338.256 3.423 50 0 EGAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1 ZINC000000453832 452596955 /nfs/dbraw/zinc/59/69/55/452596955.db2.gz AUIVUOZPRHBJBL-UHFFFAOYSA-N 0 0 333.438 3.223 50 0 EGAARN NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000000454961 452597692 /nfs/dbraw/zinc/59/76/92/452597692.db2.gz FSHDPVJGQZBMBY-UHFFFAOYSA-N 0 0 342.196 3.401 50 0 EGAARN CC(=O)Nc1cccc(N2C(=O)C[C@@H](Cc3ccc(C)cc3)C2=O)c1 ZINC000000467232 452600954 /nfs/dbraw/zinc/60/09/54/452600954.db2.gz MPFCUHGEYDSSBY-MRXNPFEDSA-N 0 0 336.391 3.076 50 0 EGAARN CCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 ZINC000000473734 452602974 /nfs/dbraw/zinc/60/29/74/452602974.db2.gz XNSFWTFOCFJZPI-VIFPVBQESA-N 0 0 325.821 3.468 50 0 EGAARN CCc1c(C)sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c1C(N)=O ZINC000000476772 452603675 /nfs/dbraw/zinc/60/36/75/452603675.db2.gz JMYYXVFHHZWQCG-KBPBESRZSA-N 0 0 328.437 3.460 50 0 EGAARN CC[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000476841 452603706 /nfs/dbraw/zinc/60/37/06/452603706.db2.gz VPBLAAGGZAVBLB-IBGZPJMESA-N 0 0 342.414 3.332 50 0 EGAARN CC(C)[C@H]1C[C@@](CCN2C(=O)CCC2=O)(c2ccccc2)CCO1 ZINC000000488004 452605953 /nfs/dbraw/zinc/60/59/53/452605953.db2.gz JVBTXUMSCPADEF-XLIONFOSSA-N 0 0 329.440 3.299 50 0 biogenic EGAARN CCc1ccc(C(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1 ZINC000000482497 452606157 /nfs/dbraw/zinc/60/61/57/452606157.db2.gz OANHBSNHLLBIFL-UHFFFAOYSA-N 0 0 325.364 3.247 50 0 EGAARN COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2OC)c1OC ZINC000000519862 452612969 /nfs/dbraw/zinc/61/29/69/452612969.db2.gz VCSKREAXBWDNTH-UHFFFAOYSA-N 0 0 330.336 3.013 50 0 biogenic EGAARN O=C(NC[C@H]1CCCO1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000000529148 452614107 /nfs/dbraw/zinc/61/41/07/452614107.db2.gz QTRIKUFDCFVEDT-QGZVFWFLSA-N 0 0 349.390 3.312 50 0 EGAARN COC(=O)c1ccc(COc2ccc3oc(C)c(C(=O)OC)c3c2)o1 ZINC000000525887 452614202 /nfs/dbraw/zinc/61/42/02/452614202.db2.gz ZADLNIATYOVWRM-UHFFFAOYSA-N 0 0 344.319 3.486 50 0 biogenic EGAARN COc1ccc(-c2nnc(SCc3c(F)cccc3F)n2N)cc1 ZINC000000531579 452616228 /nfs/dbraw/zinc/61/62/28/452616228.db2.gz IOUWHUMBVQDWAQ-UHFFFAOYSA-N 0 0 348.378 3.238 50 0 EGAARN COC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O ZINC000000538859 452618177 /nfs/dbraw/zinc/61/81/77/452618177.db2.gz LEUYXBWPKGKHSA-UHFFFAOYSA-N 0 0 342.782 3.280 50 0 EGAARN COc1cccc(OC)c1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000000557529 452622505 /nfs/dbraw/zinc/62/25/05/452622505.db2.gz PWCPGHFLQKCPLS-UHFFFAOYSA-N 0 0 325.320 3.063 50 0 EGAARN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000000581226 452627378 /nfs/dbraw/zinc/62/73/78/452627378.db2.gz BLBMSEBUGYNBEJ-UHFFFAOYSA-N 0 0 333.409 3.281 50 0 EGAARN COc1ccc(C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000000583201 452629900 /nfs/dbraw/zinc/62/99/00/452629900.db2.gz SDQUDPSULVFHDJ-UHFFFAOYSA-N 0 0 325.817 3.136 50 0 EGAARN O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3F)c3cccc1c23 ZINC000000828933 452636685 /nfs/dbraw/zinc/63/66/85/452636685.db2.gz VCYRDIWXQDFBJA-UHFFFAOYSA-N 0 0 342.351 3.345 50 0 EGAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000000889041 452636737 /nfs/dbraw/zinc/63/67/37/452636737.db2.gz COLBKZLLBPAQQU-UHFFFAOYSA-N 0 0 339.800 3.220 50 0 EGAARN CCOC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000914939 452639681 /nfs/dbraw/zinc/63/96/81/452639681.db2.gz ITUIITDVXRDULT-LLVKDONJSA-N 0 0 328.393 3.249 50 0 EGAARN CCOC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 ZINC000001006633 452640285 /nfs/dbraw/zinc/64/02/85/452640285.db2.gz PZMIMSONGWHRDJ-UHFFFAOYSA-N 0 0 330.336 3.100 50 0 EGAARN CCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2OC)cc1 ZINC000001006660 452641487 /nfs/dbraw/zinc/64/14/87/452641487.db2.gz JVLQNSUULFYTHI-UHFFFAOYSA-N 0 0 330.336 3.100 50 0 EGAARN CCOC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OCC)c1 ZINC000001053612 452643472 /nfs/dbraw/zinc/64/34/72/452643472.db2.gz ZMZHFESBKGYNLT-UHFFFAOYSA-N 0 0 345.351 3.194 50 0 EGAARN Nc1nnc(SCc2ccc(I)cc2)s1 ZINC000001113254 452646982 /nfs/dbraw/zinc/64/69/82/452646982.db2.gz GTXSUTHVRRPBGH-UHFFFAOYSA-N 0 0 349.222 3.017 50 0 EGAARN CNc1nc(C2(c3ccc(OC)c(OC)c3)CCOCC2)cs1 ZINC000001238938 452649308 /nfs/dbraw/zinc/64/93/08/452649308.db2.gz KXLNYMJGWWEXLD-UHFFFAOYSA-N 0 0 334.441 3.299 50 0 EGAARN CNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000001396452 452660178 /nfs/dbraw/zinc/66/01/78/452660178.db2.gz FHBVHYBGGVWEMS-UHFFFAOYSA-N 0 0 345.613 3.216 50 0 EGAARN CCOC(=O)[C@@H]1C(=O)NC(c2ccccc2)=N[C@@H]1c1ccc(F)cc1 ZINC000001404436 452662733 /nfs/dbraw/zinc/66/27/33/452662733.db2.gz IAOZEBYUWKLMDE-JKSUJKDBSA-N 0 0 340.354 3.463 50 0 EGAARN Cc1cc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2N)no1 ZINC000001422102 452664217 /nfs/dbraw/zinc/66/42/17/452664217.db2.gz XPRPNMUCWGKPIB-UHFFFAOYSA-N 0 0 333.348 3.157 50 0 EGAARN COc1cc(C(=O)Nc2c(C)cc(C)nc2C)cc(OC)c1OC ZINC000001425258 452664386 /nfs/dbraw/zinc/66/43/86/452664386.db2.gz IGESZIJOCKYBGE-UHFFFAOYSA-N 0 0 330.384 3.285 50 0 EGAARN CCOc1cc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)ccc1O ZINC000001461147 452665277 /nfs/dbraw/zinc/66/52/77/452665277.db2.gz MNEUKIGKHPTBEL-GFCCVEGCSA-N 0 0 343.379 3.282 50 0 EGAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)CCC2 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COc1cc2c(cc1OC)CN(C(=O)c1c(F)cccc1F)CC2 ZINC000002229966 452691134 /nfs/dbraw/zinc/69/11/34/452691134.db2.gz QNQHSOJIXLBUBR-UHFFFAOYSA-N 0 0 333.334 3.181 50 0 EGAARN Cc1ccc(N(O)C(=O)OCCNC(=O)Nc2ccccc2)cc1 ZINC000002267560 452693487 /nfs/dbraw/zinc/69/34/87/452693487.db2.gz JYGBNJQQPJBYHN-UHFFFAOYSA-N 0 0 329.356 3.149 50 0 EGAARN NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000002379900 452695514 /nfs/dbraw/zinc/69/55/14/452695514.db2.gz BKLKWCBMBVZXHA-UHFFFAOYSA-N 0 0 344.827 3.165 50 0 EGAARN CCOCCCNc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O ZINC000002429403 452696983 /nfs/dbraw/zinc/69/69/83/452696983.db2.gz UAJJOMXOTTWBGT-OAHLLOKOSA-N 0 0 325.412 3.228 50 0 EGAARN CCc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000002436366 452697488 /nfs/dbraw/zinc/69/74/88/452697488.db2.gz HRGYYBPDPLFGQL-UHFFFAOYSA-N 0 0 325.408 3.465 50 0 EGAARN CO[C@](F)(C(=O)Nc1ccc(Br)cc1)C(F)(F)F ZINC000002501605 452702377 /nfs/dbraw/zinc/70/23/77/452702377.db2.gz KWWDQOONVGKRNI-SECBINFHSA-N 0 0 330.075 3.262 50 0 EGAARN 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CCC[C@@H](C)N1CC2(CCN(C(=O)CCc3ccco3)CC2)OC1=O ZINC000077459779 454108587 /nfs/dbraw/zinc/10/85/87/454108587.db2.gz AEISBTICGBTQIA-OAHLLOKOSA-N 0 0 348.443 3.214 50 0 EGAARN Fc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1 ZINC000077525430 454117770 /nfs/dbraw/zinc/11/77/70/454117770.db2.gz PPJGRDCHYJNRIA-AWEZNQCLSA-N 0 0 325.391 3.319 50 0 EGAARN Cc1cc(C)c2nc(C)cc(C(=O)N[C@H](c3ncnn3C)C3CC3)c2c1 ZINC000077540650 454119979 /nfs/dbraw/zinc/11/99/79/454119979.db2.gz FJBLMMKHALLFNO-SFHVURJKSA-N 0 0 349.438 3.170 50 0 EGAARN Cc1ccc(C(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)s1 ZINC000044836708 454121822 /nfs/dbraw/zinc/12/18/22/454121822.db2.gz BVOKRPWUJLSBJE-UHFFFAOYSA-N 0 0 344.348 3.192 50 0 EGAARN O=C1c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O ZINC000057394961 454124884 /nfs/dbraw/zinc/12/48/84/454124884.db2.gz DRJDHIBNKOMBOO-UHFFFAOYSA-N 0 0 334.419 3.128 50 0 EGAARN O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCc2ccccc2C1 ZINC000057511348 454133899 /nfs/dbraw/zinc/13/38/99/454133899.db2.gz 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CCn1ccc(CN(Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1 ZINC000252507778 455816973 /nfs/dbraw/zinc/81/69/73/455816973.db2.gz WTSGJKKIISMJCS-LJQANCHMSA-N 0 0 329.444 3.093 50 0 EGAARN CCCc1nnsc1C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 ZINC000252518136 455820034 /nfs/dbraw/zinc/82/00/34/455820034.db2.gz ACRDPZBVMXMIBY-JOCQHMNTSA-N 0 0 346.456 3.006 50 0 EGAARN Cn1cccc1-c1noc(CNC(=O)/C=C/c2ccccc2Cl)n1 ZINC000253406156 455839803 /nfs/dbraw/zinc/83/98/03/455839803.db2.gz UGBHAUYLWVLAGW-CMDGGOBGSA-N 0 0 342.786 3.058 50 0 EGAARN O=C(/C=C/c1cccs1)NC[C@@H](c1ccco1)N1CCSCC1 ZINC000253405642 455839981 /nfs/dbraw/zinc/83/99/81/455839981.db2.gz SUETXSMENCFQTL-NFAHFFEMSA-N 0 0 348.493 3.261 50 0 EGAARN O=C(CCCn1cccn1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000253413320 455841013 /nfs/dbraw/zinc/84/10/13/455841013.db2.gz UMAXCLSNPQCFHN-QGZVFWFLSA-N 0 0 337.427 3.293 50 0 EGAARN COC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)c[nH]c1=O ZINC000261494830 455907859 /nfs/dbraw/zinc/90/78/59/455907859.db2.gz KNXSJVYKDHPVQT-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/59/81/67/457598167.db2.gz MQZAJCTXGMRFCK-UHFFFAOYSA-N 0 0 333.754 3.095 50 0 EGAARN COc1cccc(OCCCN(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000426388598 457819205 /nfs/dbraw/zinc/81/92/05/457819205.db2.gz WQUQEPRVXZKONF-PFVFBNAMSA-N 0 0 329.440 3.215 50 0 EGAARN COC[C@@H]1CCCN1C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000426387856 457819610 /nfs/dbraw/zinc/81/96/10/457819610.db2.gz VPEIWZUAASVNMT-HNNXBMFYSA-N 0 0 348.834 3.051 50 0 EGAARN O=C(NCCC1CCCC1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000426474482 457836876 /nfs/dbraw/zinc/83/68/76/457836876.db2.gz YGEBLOHPLIAZGQ-SFHVURJKSA-N 0 0 331.460 3.353 50 0 EGAARN COC[C@@H]1CCCN1C(=O)c1cccc(-c2ncccc2OC)c1 ZINC000426479025 457837886 /nfs/dbraw/zinc/83/78/86/457837886.db2.gz SAQMTYZLEDTATA-INIZCTEOSA-N 0 0 326.396 3.008 50 0 EGAARN Cc1ccc([C@@H](NC(=O)N(C)CC2(C)COC2)c2ccncc2)cc1 ZINC000426509919 457845736 /nfs/dbraw/zinc/84/57/36/457845736.db2.gz CXZKUGFZMZSCIT-GOSISDBHSA-N 0 0 339.439 3.157 50 0 EGAARN Cc1c[nH]c(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)n1 ZINC000426507858 457845936 /nfs/dbraw/zinc/84/59/36/457845936.db2.gz KNDPNNKGVIVWFA-ZWOKBUDYSA-N 0 0 339.439 3.189 50 0 EGAARN Cc1nc2ncc(-c3ccccc3C(=O)N(C(C)C)C(C)C)cn2n1 ZINC000426508169 457846091 /nfs/dbraw/zinc/84/60/91/457846091.db2.gz YVNYCSWIZDBFOS-UHFFFAOYSA-N 0 0 337.427 3.359 50 0 EGAARN COc1cccc([C@H]2CCCCN2C(=O)CCc2cnccn2)c1 ZINC000426548922 457853099 /nfs/dbraw/zinc/85/30/99/457853099.db2.gz XROSHMAIEGYDDT-GOSISDBHSA-N 0 0 325.412 3.172 50 0 EGAARN COc1ccc(C(=O)NC2(C(N)=O)CCCCCC2)c2ccccc12 ZINC000426555792 457854730 /nfs/dbraw/zinc/85/47/30/457854730.db2.gz CMUBXKSPOJJKAJ-UHFFFAOYSA-N 0 0 340.423 3.157 50 0 EGAARN Cc1nnc([C@H]2CCCN2C(=O)c2c(C)c3cccc(C)c3n2C)[nH]1 ZINC000426584886 457858458 /nfs/dbraw/zinc/85/84/58/457858458.db2.gz UOCDKBAEJVAYSQ-OAHLLOKOSA-N 0 0 337.427 3.199 50 0 EGAARN O=C([C@@H]1CC12CC2)N(CCO)CCSc1ccc(Cl)cc1 ZINC000426648169 457869937 /nfs/dbraw/zinc/86/99/37/457869937.db2.gz 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CC(C)c1ccc(-c2cccc(C(=O)NC[C@H]3CCOC3)c2)nn1 ZINC000299756188 258074712 /nfs/dbraw/zinc/07/47/12/258074712.db2.gz JHIKBVKNEYSWRJ-CQSZACIVSA-N 0 0 325.412 3.033 50 0 EGAARN C[C@@](O)(CCCO)CNC(=O)c1cccc(-c2cccc(Cl)c2)c1 ZINC000299762822 258079219 /nfs/dbraw/zinc/07/92/19/258079219.db2.gz YROFQNKZOPSVAI-LJQANCHMSA-N 0 0 347.842 3.260 50 0 EGAARN CCCN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1nccn1C ZINC000299762328 258079436 /nfs/dbraw/zinc/07/94/36/258079436.db2.gz VAQIFPFCVJLTDO-UHFFFAOYSA-N 0 0 340.471 3.150 50 0 EGAARN O=S1(=O)CCCN1c1ccc(Br)cc1C(F)(F)F ZINC000095495568 296480508 /nfs/dbraw/zinc/48/05/08/296480508.db2.gz FZMGKKXRQDWLGJ-UHFFFAOYSA-N 0 0 344.152 3.008 50 0 EGAARN Oc1cccc(N2CCN(C(=S)Nc3cccc(F)c3)CC2)c1 ZINC000006402323 135674514 /nfs/dbraw/zinc/67/45/14/135674514.db2.gz CLOLHQYWMHBPEV-UHFFFAOYSA-N 0 0 331.416 3.050 50 0 EGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccs2)nn1 ZINC000032095521 286266177 /nfs/dbraw/zinc/26/61/77/286266177.db2.gz CTTGRSOLEDNOPB-SNVBAGLBSA-N 0 0 341.396 3.164 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CO[C@@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000153795628 277280950 /nfs/dbraw/zinc/28/09/50/277280950.db2.gz NAKNVXHQFRMHGG-LBPRGKRZSA-N 0 0 331.846 3.068 50 0 EGAARN COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OC)C[C@@H]21 ZINC000029746996 277393311 /nfs/dbraw/zinc/39/33/11/277393311.db2.gz BMCZTYDZHNTKPR-INIZCTEOSA-N 0 0 341.407 3.074 50 0 biogenic EGAARN COc1ccc(-c2n[nH]cc2[C@H]2SCC(=O)Nc3n[nH]cc32)cc1 ZINC000079477010 277860472 /nfs/dbraw/zinc/86/04/72/277860472.db2.gz KZFGIPPUNCFGBX-OAHLLOKOSA-N 0 0 341.396 3.233 50 0 EGAARN CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 ZINC000067298420 278171106 /nfs/dbraw/zinc/17/11/06/278171106.db2.gz YNJVKHSYOBGWGO-ZPHPHTNESA-N 0 0 326.377 3.192 50 0 EGAARN CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)C[C@H](C)CC3 ZINC000002444580 278181449 /nfs/dbraw/zinc/18/14/49/278181449.db2.gz GGJVOGVEQZXIIL-SSDOTTSWSA-N 0 0 344.469 3.045 50 0 EGAARN CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)[C@@H](C)CCC3 ZINC000005478630 278181552 /nfs/dbraw/zinc/18/15/52/278181552.db2.gz 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O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1c1cccc(Cl)c1 ZINC000000107285 452508834 /nfs/dbraw/zinc/50/88/34/452508834.db2.gz UYGZTDGGSLBPJS-UHFFFAOYSA-N 0 0 349.173 3.481 50 0 EGAARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2F)NC(=O)N1 ZINC000000112172 452511002 /nfs/dbraw/zinc/51/10/02/452511002.db2.gz XULXKIOQXXBJRO-MRXNPFEDSA-N 0 0 332.375 3.330 50 0 EGAARN COc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000000121751 452514017 /nfs/dbraw/zinc/51/40/17/452514017.db2.gz DZNVJROCNFVOBU-UHFFFAOYSA-N 0 0 342.782 3.439 50 0 EGAARN CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(=O)[O-])cc1)[NH2+]CC2 ZINC000000141122 452517033 /nfs/dbraw/zinc/51/70/33/452517033.db2.gz JEFWFORHNKXGAL-LJQANCHMSA-N 0 0 341.407 3.417 50 0 biogenic,in-vitro EGAARN Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1C ZINC000000144555 452519257 /nfs/dbraw/zinc/51/92/57/452519257.db2.gz IPKZIQCCOHVPBK-UHFFFAOYSA-N 0 0 327.380 3.401 50 0 EGAARN Cc1sc2ncn([C@@H](C)C(=O)OCc3ccccc3)c(=O)c2c1C ZINC000000144612 452519623 /nfs/dbraw/zinc/51/96/23/452519623.db2.gz 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CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCC(C)C ZINC000000352503 452568036 /nfs/dbraw/zinc/56/80/36/452568036.db2.gz HKIAGDVXCNNLFR-QGZVFWFLSA-N 0 0 346.427 3.303 50 0 EGAARN COc1cccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1OC ZINC000000362685 452572475 /nfs/dbraw/zinc/57/24/75/452572475.db2.gz RSZXDMAEQRZSLA-UHFFFAOYSA-N 0 0 340.331 3.338 50 0 EGAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1 ZINC000000382739 452576682 /nfs/dbraw/zinc/57/66/82/452576682.db2.gz VOCGZDFGLQUDED-UHFFFAOYSA-N 0 0 344.465 3.198 50 0 EGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1Cc1ccccc1 ZINC000000408672 452579282 /nfs/dbraw/zinc/57/92/82/452579282.db2.gz JHHPUDNXDLHTHP-UHFFFAOYSA-N 0 0 343.423 3.123 50 0 EGAARN O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl ZINC000000390545 452579923 /nfs/dbraw/zinc/57/99/23/452579923.db2.gz DZJOZSFSFDCJIG-INIZCTEOSA-N 0 0 336.174 3.406 50 0 EGAARN C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000000403928 452579950 /nfs/dbraw/zinc/57/99/50/452579950.db2.gz 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Cc1cccc(SC2CCN(C(=O)CCCn3cncn3)CC2)c1 ZINC000077505715 454115539 /nfs/dbraw/zinc/11/55/39/454115539.db2.gz BOLWLEJENBTDLA-UHFFFAOYSA-N 0 0 344.484 3.150 50 0 EGAARN C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)NC1CCCC1 ZINC000057291684 454118203 /nfs/dbraw/zinc/11/82/03/454118203.db2.gz IMJPTTDPMWQEAI-LBPRGKRZSA-N 0 0 331.441 3.200 50 0 EGAARN Cc1cnc(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)cn1 ZINC000077554354 454122278 /nfs/dbraw/zinc/12/22/78/454122278.db2.gz YWUAGSXTLXTFMC-MRXNPFEDSA-N 0 0 347.422 3.195 50 0 EGAARN Cc1cnc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)cn1 ZINC000077554349 454122299 /nfs/dbraw/zinc/12/22/99/454122299.db2.gz YWUAGSXTLXTFMC-INIZCTEOSA-N 0 0 347.422 3.195 50 0 EGAARN Cc1ccncc1C(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000077566373 454123945 /nfs/dbraw/zinc/12/39/45/454123945.db2.gz MQDDUWCCPKRENY-SFHVURJKSA-N 0 0 336.435 3.444 50 0 EGAARN Cc1ccc(NCCNC(=O)c2ccc(-c3ccccc3)cc2)nn1 ZINC000057791840 454147001 /nfs/dbraw/zinc/14/70/01/454147001.db2.gz IKTMGDHLAGRJGE-UHFFFAOYSA-N 0 0 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Cc1ccc(-c2ccnc(NCC3(Cn4cccn4)CC3)n2)c(C)n1 ZINC000071764712 454217125 /nfs/dbraw/zinc/21/71/25/454217125.db2.gz ROIJEPPMMNCJMS-UHFFFAOYSA-N 0 0 334.427 3.244 50 0 EGAARN C[C@H](C(=O)Nc1cnn(C)c1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095477577 454220082 /nfs/dbraw/zinc/22/00/82/454220082.db2.gz CAZQMHYTEPLIIV-BBRMVZONSA-N 0 0 325.412 3.074 50 0 EGAARN C[C@H](O)c1cccc(N2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000095499616 454222584 /nfs/dbraw/zinc/22/25/84/454222584.db2.gz SJCDTBLXGIZUER-ZDUSSCGKSA-N 0 0 340.452 3.071 50 0 EGAARN COc1ccccc1OC1CCN(c2cccc([C@@H](C)O)n2)CC1 ZINC000095504256 454223251 /nfs/dbraw/zinc/22/32/51/454223251.db2.gz NITQSETUCFZOCX-CQSZACIVSA-N 0 0 328.412 3.191 50 0 EGAARN Cn1ccc2ccc(C(=O)NCC[C@@H]3COc4ccccc4O3)cc21 ZINC000095509376 454225067 /nfs/dbraw/zinc/22/50/67/454225067.db2.gz KGOITMHNQRXAMY-MRXNPFEDSA-N 0 0 336.391 3.138 50 0 EGAARN CCNC(=O)c1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1 ZINC000095510715 454225179 /nfs/dbraw/zinc/22/51/79/454225179.db2.gz PLTXKZRNIIKSEW-OAHLLOKOSA-N 0 0 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ZINC000090607753 454327512 /nfs/dbraw/zinc/32/75/12/454327512.db2.gz JZPHEAFCMRYOBB-UHFFFAOYSA-N 0 0 341.392 3.211 50 0 EGAARN Cn1ccnc1CN(C(=O)c1csc(-c2cccs2)n1)C1CC1 ZINC000047237820 454343857 /nfs/dbraw/zinc/34/38/57/454343857.db2.gz CIEUGERRDXPSBU-UHFFFAOYSA-N 0 0 344.465 3.410 50 0 EGAARN Cc1ccsc1-c1nnc(CC(=O)NCc2cc(F)cc(F)c2)o1 ZINC000062007297 454364946 /nfs/dbraw/zinc/36/49/46/454364946.db2.gz RHGIALQYSHUGOY-UHFFFAOYSA-N 0 0 349.362 3.244 50 0 EGAARN CC[C@@H](C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2[nH]1 ZINC000097078664 454400593 /nfs/dbraw/zinc/40/05/93/454400593.db2.gz FFSCAGJZNUWAST-BZNIZROVSA-N 0 0 337.427 3.292 50 0 EGAARN COCCOc1ccccc1NC(=O)N1CCC[C@@H](CSC)C1 ZINC000097088498 454404281 /nfs/dbraw/zinc/40/42/81/454404281.db2.gz WLVDFQVKMVAGDX-CQSZACIVSA-N 0 0 338.473 3.319 50 0 EGAARN C[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C1=CCCCC1 ZINC000091269751 454420540 /nfs/dbraw/zinc/42/05/40/454420540.db2.gz IYLBXJCHGSMZAQ-HNNXBMFYSA-N 0 0 332.488 3.420 50 0 EGAARN Cc1ccccc1-c1noc(CN2CCO[C@@H](c3nccs3)C2)n1 ZINC000097199697 454421818 /nfs/dbraw/zinc/42/18/18/454421818.db2.gz OFWQUEUMGVSYMV-CQSZACIVSA-N 0 0 342.424 3.075 50 0 EGAARN Cc1cc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)c(=O)[nH]c1C ZINC000091365271 454430304 /nfs/dbraw/zinc/43/03/04/454430304.db2.gz FAHJFTYIIHEZHJ-CYBMUJFWSA-N 0 0 330.815 3.275 50 0 EGAARN CCn1nc(C)c(CCNC(=O)c2ccc([C@@H]3CCCO3)s2)c1C ZINC000097813887 454446305 /nfs/dbraw/zinc/44/63/05/454446305.db2.gz XNVXEPMEZYXCBG-HNNXBMFYSA-N 0 0 347.484 3.405 50 0 EGAARN CC(C)(C)N1C[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1=O ZINC000091636387 454454025 /nfs/dbraw/zinc/45/40/25/454454025.db2.gz ZTYYKZUJQNCHFH-CYBMUJFWSA-N 0 0 348.874 3.135 50 0 EGAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000121584908 454453981 /nfs/dbraw/zinc/45/39/81/454453981.db2.gz QHOGLEGRUBOKEI-LJQANCHMSA-N 0 0 348.446 3.372 50 0 EGAARN CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1cccc(OC2CCCC2)c1 ZINC000101710766 454481656 /nfs/dbraw/zinc/48/16/56/454481656.db2.gz 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219112911 /nfs/dbraw/zinc/11/29/11/219112911.db2.gz JVPFPIKSMQBERA-MRXNPFEDSA-N 0 0 339.786 3.391 50 0 EGAARN CC(C)n1c(=O)nc2ccccc2c1NC(=O)Nc1ccc(F)cc1 ZINC000101113599 219116233 /nfs/dbraw/zinc/11/62/33/219116233.db2.gz PBJLJZIBHKYRQK-CJLVFECKSA-N 0 0 340.358 3.182 50 0 EGAARN CCN(CC)C(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354234 219124567 /nfs/dbraw/zinc/12/45/67/219124567.db2.gz UBVZOJCKPNNICW-UHFFFAOYSA-N 0 0 349.434 3.413 50 0 EGAARN O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004314925 210167164 /nfs/dbraw/zinc/16/71/64/210167164.db2.gz VAZCOKPWXFGICH-UHFFFAOYSA-N 0 0 349.390 3.311 50 0 biogenic EGAARN CN1C(=O)c2cccc(NC(=O)c3ccc4ccccc4c3)c2C1=O ZINC000004263811 210155568 /nfs/dbraw/zinc/15/55/68/210155568.db2.gz PWBPOJADFIMKFB-UHFFFAOYSA-N 0 0 330.343 3.318 50 0 EGAARN CCn1nc(CNC(=O)CCc2scnc2C)c2ccccc21 ZINC000065398610 214891457 /nfs/dbraw/zinc/89/14/57/214891457.db2.gz UJCUKAMTSZLZPE-UHFFFAOYSA-N 0 0 328.441 3.070 50 0 EGAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)OCCO2 ZINC000004194633 210144012 /nfs/dbraw/zinc/14/40/12/210144012.db2.gz MAKFZNXFNNXLMZ-UHFFFAOYSA-N 0 0 330.340 3.459 50 0 EGAARN COc1cc(C(=O)C[C@H]2O[C@H](O)C(Cl)=C2Cl)ccc1Cl ZINC000004178056 210139430 /nfs/dbraw/zinc/13/94/30/210139430.db2.gz LRQPLIJSSGTYIR-MFKMUULPSA-N 0 0 337.586 3.328 50 0 EGAARN O=C(c1ccccc1)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004159572 210135847 /nfs/dbraw/zinc/13/58/47/210135847.db2.gz MQXUUHIUTONJSA-MRXNPFEDSA-N 0 0 349.839 3.174 50 0 EGAARN Cc1ncc(C(=O)N(C)CCCOc2ccccc2Cl)c(C)n1 ZINC000065492476 214931609 /nfs/dbraw/zinc/93/16/09/214931609.db2.gz DMQNLRPUUNKXKZ-UHFFFAOYSA-N 0 0 333.819 3.288 50 0 EGAARN Cc1ccc(N(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000004158569 210133822 /nfs/dbraw/zinc/13/38/22/210133822.db2.gz KCZKXSJQKQHBFL-SFHVURJKSA-N 0 0 343.448 3.137 50 0 EGAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1CC ZINC000004138610 210130379 /nfs/dbraw/zinc/13/03/79/210130379.db2.gz FPOOWVFCKXTVMQ-LLVKDONJSA-N 0 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/nfs/dbraw/zinc/06/07/01/210060701.db2.gz XKCQZEUXPOULTR-UHFFFAOYSA-N 0 0 332.787 3.401 50 0 EGAARN CCC12CN3CC(C)(CN(C1)C3c1cccc(Br)c1)C2=O ZINC000019327482 282530239 /nfs/dbraw/zinc/53/02/39/282530239.db2.gz ULKMLXQUAWMHPY-UHFFFAOYSA-N 0 0 349.272 3.064 50 0 EGAARN Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000003442762 210040191 /nfs/dbraw/zinc/04/01/91/210040191.db2.gz UZWJUUHUUXBKAG-UHFFFAOYSA-N 0 0 331.799 3.164 50 0 EGAARN COc1cccc(-c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)no2)c1 ZINC000044425208 213623206 /nfs/dbraw/zinc/62/32/06/213623206.db2.gz QUPLLCVPRZAHMD-INIZCTEOSA-N 0 0 349.390 3.261 50 0 EGAARN COc1cc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)ccc1O ZINC000102747509 219227648 /nfs/dbraw/zinc/22/76/48/219227648.db2.gz KCADBKWNCYOZBJ-AWEZNQCLSA-N 0 0 328.328 3.019 50 0 EGAARN COc1ccc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)c(C)c1 ZINC000067198056 215122386 /nfs/dbraw/zinc/12/23/86/215122386.db2.gz NMMYZOCJHCABKK-UHFFFAOYSA-N 0 0 341.407 3.094 50 0 EGAARN Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 ZINC000067198033 215122521 /nfs/dbraw/zinc/12/25/21/215122521.db2.gz HIOXIZYMBBWIRF-LBPRGKRZSA-N 0 0 333.334 3.307 50 0 EGAARN Cc1ccc(-n2cc(C(=O)NCc3ccc(F)cc3Cl)nn2)cc1 ZINC000067261839 215128953 /nfs/dbraw/zinc/12/89/53/215128953.db2.gz AVUHYZSYEFZFLU-UHFFFAOYSA-N 0 0 344.777 3.298 50 0 EGAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000003246458 209987816 /nfs/dbraw/zinc/98/78/16/209987816.db2.gz LIIPFWIZLJOOAS-SFHVURJKSA-N 0 0 340.423 3.254 50 0 EGAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000003194782 209976915 /nfs/dbraw/zinc/97/69/15/209976915.db2.gz VUNWVVOTWBLKPP-OAHLLOKOSA-N 0 0 342.420 3.134 50 0 EGAARN CC(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067473303 215152469 /nfs/dbraw/zinc/15/24/69/215152469.db2.gz LZVIBNZQTNXURB-UHFFFAOYSA-N 0 0 331.419 3.495 50 0 EGAARN COc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1 ZINC000003219241 209979553 /nfs/dbraw/zinc/97/95/53/209979553.db2.gz GUAPXRLPGVKXSY-UHFFFAOYSA-N 0 0 333.771 3.073 50 0 EGAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C)cc1 ZINC000003051268 209957432 /nfs/dbraw/zinc/95/74/32/209957432.db2.gz SNOSPSSVTIVITD-UHFFFAOYSA-N 0 0 340.404 3.012 50 0 EGAARN Cc1c2ccccc2[nH]c1CN(C)c1ccc(-c2nccn2C)nn1 ZINC000067755832 215204938 /nfs/dbraw/zinc/20/49/38/215204938.db2.gz NSLGADUVWRDKND-UHFFFAOYSA-N 0 0 332.411 3.303 50 0 EGAARN O=C(CCc1c[nH]c2ccccc12)NCc1cc(-c2cccnc2)no1 ZINC000067787402 215212206 /nfs/dbraw/zinc/21/22/06/215212206.db2.gz TWYRLTLRTGWNMK-UHFFFAOYSA-N 0 0 346.390 3.467 50 0 EGAARN Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCn2ccnc2C)n1 ZINC000067847408 215230148 /nfs/dbraw/zinc/23/01/48/215230148.db2.gz YXERMFGIUGEINH-UHFFFAOYSA-N 0 0 332.411 3.454 50 0 EGAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCCC1 ZINC000002845483 209927247 /nfs/dbraw/zinc/92/72/47/209927247.db2.gz OWILERJAJPTVIK-UHFFFAOYSA-N 0 0 334.725 3.310 50 0 EGAARN O=C(NCCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002836352 209925791 /nfs/dbraw/zinc/92/57/91/209925791.db2.gz WHWMVEXSIGGOJN-UHFFFAOYSA-N 0 0 337.206 3.291 50 0 EGAARN CSCc1noc(CNC2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067921299 215251119 /nfs/dbraw/zinc/25/11/19/215251119.db2.gz MUTRVCPHANYGQN-UHFFFAOYSA-N 0 0 346.500 3.308 50 0 EGAARN COc1cccc(-c2c[nH]nc2C2CCN(c3cnccn3)CC2)c1 ZINC000067935021 215252857 /nfs/dbraw/zinc/25/28/57/215252857.db2.gz NDKRSEFKXDBWMX-UHFFFAOYSA-N 0 0 335.411 3.259 50 0 EGAARN CCOC(=O)N[C@@H](Sc1cc(C)ncn1)C(Cl)(Cl)Cl ZINC000002679775 209890352 /nfs/dbraw/zinc/89/03/52/209890352.db2.gz FLKWFBKZQZTUID-QMMMGPOBSA-N 0 0 344.651 3.320 50 0 EGAARN O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000002625304 209876055 /nfs/dbraw/zinc/87/60/55/209876055.db2.gz TZDGVHCTAMGLCE-UHFFFAOYSA-N 0 0 337.734 3.268 50 0 EGAARN O=Cc1ccc([C@@H]2CC[C@H](c3ccc[nH]3)N2C(=O)C(F)(F)F)[nH]1 ZINC000002519587 209861905 /nfs/dbraw/zinc/86/19/05/209861905.db2.gz QSCTVOJNOKMBSZ-OLZOCXBDSA-N 0 0 325.290 3.122 50 0 EGAARN CCOC(=O)N1CCC(NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000002512692 209861014 /nfs/dbraw/zinc/86/10/14/209861014.db2.gz GSATWTZXDRWNRB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/86/68/05/295866805.db2.gz XFBCIZDQEFILJZ-LRDDRELGSA-N 0 0 348.805 3.309 50 0 EGAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cccc(-n3cccc3)c1)C(=O)N2 ZINC000001425347 209746533 /nfs/dbraw/zinc/74/65/33/209746533.db2.gz OXXQLHKMUJPLBU-NRFANRHFSA-N 0 0 346.386 3.198 50 0 EGAARN C[C@H](Oc1ccccc1)c1nn2c(CN3CCCCC3)nnc2s1 ZINC000039389243 213235587 /nfs/dbraw/zinc/23/55/87/213235587.db2.gz CNCMMWXNRNHYNF-ZDUSSCGKSA-N 0 0 343.456 3.312 50 0 EGAARN COc1ccc2c(c1)CCN(C(=O)c1csc(-n3cccc3)n1)C2 ZINC000038679050 213220412 /nfs/dbraw/zinc/22/04/12/213220412.db2.gz GZBTYBRRFJQGBC-UHFFFAOYSA-N 0 0 339.420 3.141 50 0 EGAARN O=C(Nc1cccc(F)c1)Nc1nccn(-c2ccc(F)cc2)c1=O ZINC000038653712 213219565 /nfs/dbraw/zinc/21/95/65/213219565.db2.gz GYTUARIZXZFPIQ-UHFFFAOYSA-N 0 0 342.305 3.155 50 0 EGAARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2nsnc2c1 ZINC000038695939 213220156 /nfs/dbraw/zinc/22/01/56/213220156.db2.gz LVVABUVSTYNFAZ-UHFFFAOYSA-N 0 0 338.392 3.070 50 0 EGAARN CCc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1 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O=C(Nc1ccccc1Cl)c1c2c(sc1-n1cnnn1)CCC2 ZINC000036359172 213089472 /nfs/dbraw/zinc/08/94/72/213089472.db2.gz HPKRQTPTUWWTGY-UHFFFAOYSA-N 0 0 345.815 3.118 50 0 EGAARN Cc1c(-c2nn3c(nnc3-c3ccc(Cl)cc3F)s2)cnn1C ZINC000036358054 213089075 /nfs/dbraw/zinc/08/90/75/213089075.db2.gz IICAAIQEDKMKGV-UHFFFAOYSA-N 0 0 348.794 3.354 50 0 EGAARN COc1ccc(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)cn1 ZINC000070666583 215702941 /nfs/dbraw/zinc/70/29/41/215702941.db2.gz UFGCKIPFVBEEOF-UHFFFAOYSA-N 0 0 337.379 3.238 50 0 biogenic EGAARN COc1ccc(C(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000035672995 213044825 /nfs/dbraw/zinc/04/48/25/213044825.db2.gz XFRVNGKMYPVYCM-UHFFFAOYSA-N 0 0 337.379 3.026 50 0 EGAARN Cc1c(C(=O)Nc2cccc3c2ccn3C)sc2[nH]cnc(=O)c12 ZINC000071285408 215753525 /nfs/dbraw/zinc/75/35/25/215753525.db2.gz WSPJTORCPAGMDA-UHFFFAOYSA-N 0 0 338.392 3.037 50 0 EGAARN CCc1nnsc1C(=O)N[C@@H](c1ccncc1)c1ccc(C)cc1 ZINC000071682013 215794641 /nfs/dbraw/zinc/79/46/41/215794641.db2.gz MMQLPHVNWSEJJI-MRXNPFEDSA-N 0 0 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CNC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000005055650 210377376 /nfs/dbraw/zinc/37/73/76/210377376.db2.gz QSDPAGFDHQXTKZ-GFCCVEGCSA-N 0 0 342.464 3.414 50 0 EGAARN Cc1cccc(NC(=O)CSc2nnc([C@@H](N)CC(C)C)o2)c1C ZINC000005025470 210365591 /nfs/dbraw/zinc/36/55/91/210365591.db2.gz WJIMXUIACODDRB-ZDUSSCGKSA-N 0 0 348.472 3.463 50 0 EGAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cccnc1 ZINC000005025918 210365116 /nfs/dbraw/zinc/36/51/16/210365116.db2.gz AFEKTUOMRLPOQB-HXOBKFHXSA-N 0 0 334.356 3.169 50 0 EGAARN CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000000028532 208550922 /nfs/dbraw/zinc/55/09/22/208550922.db2.gz QVKXKIKQLLSBEU-UHFFFAOYSA-N 0 0 340.404 3.041 50 0 EGAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)C(C)(C)C ZINC000004943848 210335001 /nfs/dbraw/zinc/33/50/01/210335001.db2.gz CGQYWOJRGGCYQQ-UHFFFAOYSA-N 0 0 347.415 3.148 50 0 EGAARN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(F)cc1Cl ZINC000003491431 208559561 /nfs/dbraw/zinc/55/95/61/208559561.db2.gz QNUCPGHFFQJMRX-UHFFFAOYSA-N 0 0 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Cc1nc(CCNC(=O)Nc2ccc3cccnc3c2)nc2c1CCC2 ZINC000299784062 258091880 /nfs/dbraw/zinc/09/18/80/258091880.db2.gz YRKFFLSVBWJSKF-UHFFFAOYSA-N 0 0 347.422 3.186 50 0 EGAARN CCC1=NO[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 ZINC000299786024 258092895 /nfs/dbraw/zinc/09/28/95/258092895.db2.gz LPBRMMGZBOPQJI-MRXNPFEDSA-N 0 0 336.819 3.265 50 0 EGAARN CCOC(C)(C)C(=O)N[C@@H](c1ccncc1)c1ccc(OC)cc1 ZINC000299790086 258096196 /nfs/dbraw/zinc/09/61/96/258096196.db2.gz AOCSUZWVEJGHRA-QGZVFWFLSA-N 0 0 328.412 3.111 50 0 EGAARN Cc1nc(CCCNC(=O)Nc2ccc3c(c2)CC(=O)N3)sc1C ZINC000299795390 258099810 /nfs/dbraw/zinc/09/98/10/258099810.db2.gz LKGMSDWHVVUNGO-UHFFFAOYSA-N 0 0 344.440 3.009 50 0 EGAARN Cn1cc(Cl)c(C(=O)OCC(=O)Nc2cccc3ccccc32)n1 ZINC000000996377 258048947 /nfs/dbraw/zinc/04/89/47/258048947.db2.gz BINDKJCMIIQIDM-UHFFFAOYSA-N 0 0 343.770 3.022 50 0 EGAARN Cc1ccc(CS(=O)(=O)C[C@@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000001386138 258049096 /nfs/dbraw/zinc/04/90/96/258049096.db2.gz VJXRGWNVXZSFBA-QGZVFWFLSA-N 0 0 338.856 3.471 50 0 EGAARN Cc1ccc(CN2CCN(Cc3ccc(O)c(Cl)c3)CC2=O)cc1 ZINC000072161351 258064428 /nfs/dbraw/zinc/06/44/28/258064428.db2.gz JGGQDSBFMRIHGO-UHFFFAOYSA-N 0 0 344.842 3.198 50 0 EGAARN O=C(COCc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072477843 258065110 /nfs/dbraw/zinc/06/51/10/258065110.db2.gz HISQAFVVKKYZGM-KRWDZBQOSA-N 0 0 349.434 3.486 50 0 EGAARN Cc1c(Cl)cccc1C(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000299757038 258074604 /nfs/dbraw/zinc/07/46/04/258074604.db2.gz HPDRYONRERXPOE-CYBMUJFWSA-N 0 0 334.847 3.169 50 0 EGAARN COC(=O)c1cccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000299765882 258080698 /nfs/dbraw/zinc/08/06/98/258080698.db2.gz CTPHQXYJGBIGOX-UHFFFAOYSA-N 0 0 344.415 3.158 50 0 EGAARN COc1ccc(C2(C(=O)N(C)C[C@H]3CCOC3)CCCC2)cc1OC ZINC000181590657 533422112 /nfs/dbraw/zinc/42/21/12/533422112.db2.gz RZWBBRNLGZLZRC-OAHLLOKOSA-N 0 0 347.455 3.011 50 0 EGAARN Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(C)c(C)c1)CCO2 ZINC000051356765 132181146 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Cc1cc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)no1 ZINC000001332417 452652898 /nfs/dbraw/zinc/65/28/98/452652898.db2.gz CTBXTABAKUKLBE-UHFFFAOYSA-N 0 0 344.371 3.310 50 0 EGAARN O=C(c1cnc(-c2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000001381797 452656580 /nfs/dbraw/zinc/65/65/80/452656580.db2.gz HIURTYQRVFEYKQ-UHFFFAOYSA-N 0 0 345.402 3.283 50 0 EGAARN COC(=O)C[C@H]1COc2ccccc2N1C(=O)c1cccc(Cl)c1 ZINC000001384136 452656868 /nfs/dbraw/zinc/65/68/68/452656868.db2.gz NLJDYDSVZOARQX-AWEZNQCLSA-N 0 0 345.782 3.311 50 0 EGAARN Oc1cn2c(n1)c1ccccc1nc2SCc1ccccc1F ZINC000001389970 452658971 /nfs/dbraw/zinc/65/89/71/452658971.db2.gz RAYOKZJVURGEOE-UHFFFAOYSA-N 0 0 325.368 3.349 50 0 EGAARN O=S(=O)(NOCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001401199 452660186 /nfs/dbraw/zinc/66/01/86/452660186.db2.gz SXJWXUBNPODHPY-UHFFFAOYSA-N 0 0 332.208 3.404 50 0 EGAARN Nc1nc(CSc2ccccc2)nc(NCCc2ccccc2)n1 ZINC000001426220 452663175 /nfs/dbraw/zinc/66/31/75/452663175.db2.gz WQNOFXBWQBIYGZ-UHFFFAOYSA-N 0 0 337.452 3.401 50 0 EGAARN Cc1c(F)cccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000001425381 452663198 /nfs/dbraw/zinc/66/31/98/452663198.db2.gz OGWWURLSZFRDKU-UHFFFAOYSA-N 0 0 348.399 3.062 50 0 EGAARN O=C1c2ccccc2C(=O)N1CCCc1nc(-c2cccs2)no1 ZINC000001422555 452663876 /nfs/dbraw/zinc/66/38/76/452663876.db2.gz GOZMYFIGWVJADM-UHFFFAOYSA-N 0 0 339.376 3.027 50 0 EGAARN Cc1cccc(N2C3=C(C(=O)OC3)[C@H](c3ccsc3)CC2=O)c1 ZINC000001430747 452665736 /nfs/dbraw/zinc/66/57/36/452665736.db2.gz SOKNUNOYCXPLNF-AWEZNQCLSA-N 0 0 325.389 3.388 50 0 EGAARN Cc1cc(S[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)ncn1 ZINC000001470177 452667165 /nfs/dbraw/zinc/66/71/65/452667165.db2.gz XCRKJHBHAQEPDQ-SNVBAGLBSA-N 0 0 342.679 3.346 50 0 EGAARN CCOCCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000001745261 452676949 /nfs/dbraw/zinc/67/69/49/452676949.db2.gz BQQXQMLFLTYXTL-UHFFFAOYSA-N 0 0 327.380 3.441 50 0 EGAARN CCCOC(=O)[C@@H](CC)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000001775309 452678337 /nfs/dbraw/zinc/67/83/37/452678337.db2.gz AHKNICCMFXAWNM-GFCCVEGCSA-N 0 0 334.441 3.241 50 0 EGAARN CCCCCc1nc2sc3c(c2c(=O)n1N)CC(C)(C)SC3 ZINC000001870367 452681186 /nfs/dbraw/zinc/68/11/86/452681186.db2.gz AIDCJZPOCBZVHJ-UHFFFAOYSA-N 0 0 337.514 3.472 50 0 EGAARN CC(C)(CNC(=O)c1ccccc1F)CNC(=O)c1ccccc1F ZINC000002088086 452684816 /nfs/dbraw/zinc/68/48/16/452684816.db2.gz CPXVBRGFHPQPLV-UHFFFAOYSA-N 0 0 346.377 3.151 50 0 EGAARN CCOC(=O)C(C=Nc1cccc(-c2ccco2)c1)C(=O)OCC ZINC000002075234 452686321 /nfs/dbraw/zinc/68/63/21/452686321.db2.gz ZJVGSRIPBNUPLL-UHFFFAOYSA-N 0 0 329.352 3.369 50 0 EGAARN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=S ZINC000002146250 452688464 /nfs/dbraw/zinc/68/84/64/452688464.db2.gz PIHVTNWTSQZBGT-NHYWBVRUSA-N 0 0 327.453 3.383 50 0 biogenic EGAARN COc1ccc(CC(=O)NC(=S)Nc2cccc(C)c2C)cc1 ZINC000002136134 452688636 /nfs/dbraw/zinc/68/86/36/452688636.db2.gz ZLIAUDNVXOZWTF-UHFFFAOYSA-N 0 0 328.437 3.368 50 0 EGAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 ZINC000002404796 452694467 /nfs/dbraw/zinc/69/44/67/452694467.db2.gz 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452727225 /nfs/dbraw/zinc/72/72/25/452727225.db2.gz JEYUCJDUPGDIIY-NSHDSACASA-N 0 0 326.791 3.354 50 0 EGAARN CC(C)COc1ccc(NC(=O)C(=O)NC2CCC(C)CC2)cc1 ZINC000002812147 452727561 /nfs/dbraw/zinc/72/75/61/452727561.db2.gz LEOAMJKUUDKTKL-UHFFFAOYSA-N 0 0 332.444 3.355 50 0 EGAARN O=C(COc1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000002812209 452727743 /nfs/dbraw/zinc/72/77/43/452727743.db2.gz SZWYCSUSJXKFJX-UHFFFAOYSA-N 0 0 338.407 3.330 50 0 EGAARN COc1ccc(CN2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000002811204 452728250 /nfs/dbraw/zinc/72/82/50/452728250.db2.gz FTXHIWXQEQZCKC-UHFFFAOYSA-N 0 0 330.403 3.165 50 0 EGAARN CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1 ZINC000002853588 452730235 /nfs/dbraw/zinc/73/02/35/452730235.db2.gz VJCUPMCEEFKAMR-UHFFFAOYSA-N 0 0 348.428 3.066 50 0 EGAARN CCc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000002842490 452730328 /nfs/dbraw/zinc/73/03/28/452730328.db2.gz NHVNHMJZKOIRDY-UHFFFAOYSA-N 0 0 335.407 3.299 50 0 EGAARN COCCSc1ccccc1C(=O)NCc1ccccc1OC ZINC000002865286 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CS(=O)(=O)Cc1ccc(-c2ccccc2OC(F)(F)F)nc1 ZINC000097785311 219057098 /nfs/dbraw/zinc/05/70/98/219057098.db2.gz XNNXCRGRRKULCN-UHFFFAOYSA-N 0 0 331.315 3.192 50 0 EGAARN COc1ccccc1CC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000056148754 214361908 /nfs/dbraw/zinc/36/19/08/214361908.db2.gz MHZZKGLGBAGDOS-LJQANCHMSA-N 0 0 339.435 3.446 50 0 EGAARN CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000056557754 214379425 /nfs/dbraw/zinc/37/94/25/214379425.db2.gz LAUMONKVSQSFGZ-MRXNPFEDSA-N 0 0 336.457 3.277 50 0 EGAARN CCOc1ccc(/C=C(\C(=O)N(CC)CC)n2ccccc2=O)cc1 ZINC000004679486 210244702 /nfs/dbraw/zinc/24/47/02/210244702.db2.gz ABKNQIIUMQBXGH-OBGWFSINSA-N 0 0 340.423 3.114 50 0 EGAARN CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)CCCC4(C)C)OC1=O ZINC000056874935 214393220 /nfs/dbraw/zinc/39/32/20/214393220.db2.gz QXTUQXRFEBHUBA-DYLOANJQSA-N 0 0 330.380 3.168 50 0 biogenic,in-vitro EGAARN COc1cc(OC)cc(C(=O)NCc2ccc(-n3cccc3)cc2)c1 ZINC000004628864 210234852 /nfs/dbraw/zinc/23/48/52/210234852.db2.gz 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/nfs/dbraw/zinc/11/10/59/219111059.db2.gz SNDKVESSXPZLQU-ZPHPHTNESA-N 0 0 346.383 3.137 50 0 EGAARN COc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000004385274 210185483 /nfs/dbraw/zinc/18/54/83/210185483.db2.gz WEXPJWYBLYGYQG-GFCCVEGCSA-N 0 0 345.782 3.307 50 0 EGAARN O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NC1CC1 ZINC000004383937 210183894 /nfs/dbraw/zinc/18/38/94/210183894.db2.gz SWIXTZIQNONIBD-UHFFFAOYSA-N 0 0 336.366 3.290 50 0 EGAARN O=C(C[C@@H]1C(=O)Sc2[nH]c(=O)sc21)c1ccc2c(c1)CCCC2 ZINC000101113255 219115820 /nfs/dbraw/zinc/11/58/20/219115820.db2.gz OETQICHOAXTKEL-LBPRGKRZSA-N 0 0 345.445 3.304 50 0 EGAARN Cc1csc(NC(=O)CSc2ccc(-c3ccncc3)nn2)n1 ZINC000004358153 210179012 /nfs/dbraw/zinc/17/90/12/210179012.db2.gz RASPXDVGDLSPCK-UHFFFAOYSA-N 0 0 343.437 3.034 50 0 EGAARN Cc1cc(C)cc(C[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000101376850 219125215 /nfs/dbraw/zinc/12/52/15/219125215.db2.gz MIWLBWRCPYPYGL-HNNXBMFYSA-N 0 0 337.375 3.154 50 0 EGAARN COc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 ZINC000004325745 210171656 /nfs/dbraw/zinc/17/16/56/210171656.db2.gz QQNDCBHSWAESFF-UHFFFAOYSA-N 0 0 328.349 3.286 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc(F)c1 ZINC000004326126 210171490 /nfs/dbraw/zinc/17/14/90/210171490.db2.gz JNFSWIUAMQPKCZ-QMTHXVAHSA-N 0 0 348.399 3.037 50 0 aggregator EGAARN CCc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)cc1 ZINC000004316571 210168451 /nfs/dbraw/zinc/16/84/51/210168451.db2.gz JIPUFXZOXNNFON-UHFFFAOYSA-N 0 0 332.367 3.129 50 0 EGAARN CCOC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000004284686 210161010 /nfs/dbraw/zinc/16/10/10/210161010.db2.gz FRKIBCIEEKBVGD-HXUWFJFHSA-N 0 0 340.375 3.497 50 0 EGAARN O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc(Cl)sc1Cl ZINC000004263886 210156092 /nfs/dbraw/zinc/15/60/92/210156092.db2.gz ZYRSRDHNHZFWCG-UHFFFAOYSA-N 0 0 341.175 3.191 50 0 EGAARN COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1OC ZINC000065331119 214872506 /nfs/dbraw/zinc/87/25/06/214872506.db2.gz HKFNRZGRYHLAJT-OAHLLOKOSA-N 0 0 349.390 3.364 50 0 EGAARN COc1ccccc1/C=C/[C@@H]1CC(=O)NCc2nc3ccccn3c21 ZINC000065409615 214899634 /nfs/dbraw/zinc/89/96/34/214899634.db2.gz YFJBZHJPWHTAIC-BOLDSZDNSA-N 0 0 333.391 3.160 50 0 EGAARN Cc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CCC3 ZINC000000502044 282365778 /nfs/dbraw/zinc/36/57/78/282365778.db2.gz YUPKDJLKDZHHPV-UHFFFAOYSA-N 0 0 336.420 3.200 50 0 EGAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000047977205 213879364 /nfs/dbraw/zinc/87/93/64/213879364.db2.gz PZBCSJZTHLIMKJ-UHFFFAOYSA-N 0 0 337.851 3.452 50 0 EGAARN CN(CCCn1cccn1)C(=O)c1ccc2cccc(Cl)c2n1 ZINC000065430098 214907820 /nfs/dbraw/zinc/90/78/20/214907820.db2.gz BHJZVYDUBFBUNH-UHFFFAOYSA-N 0 0 328.803 3.247 50 0 EGAARN Fc1cc2[nH]nc(I)c2cc1Br ZINC000089196849 282965362 /nfs/dbraw/zinc/96/53/62/282965362.db2.gz YEJDLPSYMXVKQV-UHFFFAOYSA-N 0 0 340.921 3.069 50 0 EGAARN CC[C@H](Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(=O)OC ZINC000004164856 210136377 /nfs/dbraw/zinc/13/63/77/210136377.db2.gz DVDGLWYDUNIMRX-ZDUSSCGKSA-N 0 0 342.424 3.143 50 0 EGAARN COc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)cc1OC ZINC000004163694 210135224 /nfs/dbraw/zinc/13/52/24/210135224.db2.gz BWAQQICIWQGXTD-UHFFFAOYSA-N 0 0 338.363 3.315 50 0 EGAARN Cc1cc(Cl)cc(Cl)c1OCC(=O)NCc1cccnc1 ZINC000004126174 210128209 /nfs/dbraw/zinc/12/82/09/210128209.db2.gz KDOMDTXDYSURPN-UHFFFAOYSA-N 0 0 325.195 3.392 50 0 EGAARN O=C(C1=CSC2=NCCN12)N1CCCC[C@@H]1CCc1cccs1 ZINC000101755503 219162031 /nfs/dbraw/zinc/16/20/31/219162031.db2.gz ZJVBHGCJPINLTK-CYBMUJFWSA-N 0 0 347.509 3.322 50 0 EGAARN CCCCCC[C@@H](N1CCOC1=O)S(=O)(=O)c1ccccc1 ZINC000004092722 210119602 /nfs/dbraw/zinc/11/96/02/210119602.db2.gz JSRXXECXVXILFB-HNNXBMFYSA-N 0 0 325.430 3.209 50 0 EGAARN CN1C(=O)S[C@@H](Cc2ccc(NC(=O)C3CCCCC3)cc2)C1=O ZINC000004089271 210118176 /nfs/dbraw/zinc/11/81/76/210118176.db2.gz IAUPULAPCQWZFH-HNNXBMFYSA-N 0 0 346.452 3.442 50 0 EGAARN Cc1oc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc2c1C ZINC000004084636 210115788 /nfs/dbraw/zinc/11/57/88/210115788.db2.gz JYCNGAMPVZJZKS-UHFFFAOYSA-N 0 0 325.364 3.286 50 0 biogenic EGAARN O=C(c1ccc(Cl)cc1)N1CCN=C1SCc1cccnc1 ZINC000004061165 210110075 /nfs/dbraw/zinc/11/00/75/210110075.db2.gz RVPRUIDFRWVPLO-UHFFFAOYSA-N 0 0 331.828 3.480 50 0 EGAARN CCCCCC(=O)Nc1ccc(C[C@H]2SC(=O)N(C)C2=O)cc1 ZINC000004051090 210109424 /nfs/dbraw/zinc/10/94/24/210109424.db2.gz PQDDMSLLDCKIEA-CQSZACIVSA-N 0 0 334.441 3.442 50 0 EGAARN CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(CC)C(=O)c1ccc(C)cc1 ZINC000004029760 210103393 /nfs/dbraw/zinc/10/33/93/210103393.db2.gz PWCDZPYPVWZCLP-YSSFQJQWSA-N 0 0 344.407 3.089 50 0 biogenic EGAARN CCCCCC(=O)OCCc1c(C)nc2[nH]c3ccccc3n2c1=O ZINC000004024743 210101942 /nfs/dbraw/zinc/10/19/42/210101942.db2.gz WBBQMACGOXFMAI-UHFFFAOYSA-N 0 0 341.411 3.150 50 0 EGAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cccc(F)c3)cc12 ZINC000003911817 210093171 /nfs/dbraw/zinc/09/31/71/210093171.db2.gz CYHCTVHBXSKMOQ-UHFFFAOYSA-N 0 0 338.382 3.257 50 0 EGAARN Cc1occc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012596829 282465901 /nfs/dbraw/zinc/46/59/01/282465901.db2.gz DCBGVZHYJKOQBR-KRWDZBQOSA-N 0 0 334.379 3.247 50 0 EGAARN CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1 ZINC000003895970 210086089 /nfs/dbraw/zinc/08/60/89/210086089.db2.gz SGMDHURWBSSHLD-CSKOPFHVSA-N 0 0 345.487 3.055 50 0 EGAARN NC(=O)c1cc(-c2cnc(Nc3cccc(F)c3)s2)ccc1O ZINC000003880194 210083268 /nfs/dbraw/zinc/08/32/68/210083268.db2.gz BGDFKBBLHSGXHP-UHFFFAOYSA-N 0 0 329.356 3.497 50 0 EGAARN Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000003885349 210083084 /nfs/dbraw/zinc/08/30/84/210083084.db2.gz CYPISBFZHWKBGV-UHFFFAOYSA-N 0 0 330.381 3.384 50 0 EGAARN Cc1cc(C)c2nc(NC(=N)NC(=O)c3ccccc3)nc(C)c2c1 ZINC000003636372 210070629 /nfs/dbraw/zinc/07/06/29/210070629.db2.gz GPZTUKUFBNZODX-UHFFFAOYSA-N 0 0 333.395 3.332 50 0 EGAARN CCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1 ZINC000003612389 210066585 /nfs/dbraw/zinc/06/65/85/210066585.db2.gz SEKHKDDOETYUGT-UHFFFAOYSA-N 0 0 340.423 3.429 50 0 EGAARN COc1ccc(O)c(C(=O)CSC(=S)N2CCCCC2)c1 ZINC000045068331 213705061 /nfs/dbraw/zinc/70/50/61/213705061.db2.gz IBZDVTSZDHCSAJ-UHFFFAOYSA-N 0 0 325.455 3.088 50 0 EGAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(F)cc1 ZINC000003452988 210044552 /nfs/dbraw/zinc/04/45/52/210044552.db2.gz ZBPFWWXGDWDXDM-UHFFFAOYSA-N 0 0 328.372 3.137 50 0 EGAARN CC[C@H](C(=O)OCC(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000003446718 210041737 /nfs/dbraw/zinc/04/17/37/210041737.db2.gz WNTSXXRCKYYEBZ-SFHVURJKSA-N 0 0 341.407 3.048 50 0 EGAARN Cc1cc(NC(=O)COc2ccc(Br)cc2Cl)no1 ZINC000003444990 210041805 /nfs/dbraw/zinc/04/18/05/210041805.db2.gz MWPITOWZDVCLMB-UHFFFAOYSA-N 0 0 345.580 3.416 50 0 EGAARN CC(C)NC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066851057 215087327 /nfs/dbraw/zinc/08/73/27/215087327.db2.gz AKBWIAPNZXJVQH-OAHLLOKOSA-N 0 0 345.270 3.281 50 0 EGAARN Cc1ccc(C)c(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000003401051 210027781 /nfs/dbraw/zinc/02/77/81/210027781.db2.gz BJAKCPFEVFPYDL-UHFFFAOYSA-N 0 0 345.826 3.473 50 0 EGAARN Cc1nc(C2=C(N)N(c3ccc4c(c3)OCO4)CC2=O)sc1C ZINC000102723032 219225178 /nfs/dbraw/zinc/22/51/78/219225178.db2.gz PLCQDRRFZQORSY-UHFFFAOYSA-N 0 0 329.381 3.255 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000003386724 210025529 /nfs/dbraw/zinc/02/55/29/210025529.db2.gz RASMBUGJGXGENG-UHFFFAOYSA-N 0 0 343.379 3.116 50 0 EGAARN COc1cccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)c1OC ZINC000102753392 219227332 /nfs/dbraw/zinc/22/73/32/219227332.db2.gz AVWVSUKFMPLYHL-AWEZNQCLSA-N 0 0 342.355 3.322 50 0 EGAARN CC(C)N(C)C(=O)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000067228244 215127144 /nfs/dbraw/zinc/12/71/44/215127144.db2.gz OKZZPRTUMXESNV-HNNXBMFYSA-N 0 0 345.270 3.234 50 0 EGAARN Cc1noc([C@@H]2CCCN2C(=O)Cc2c(C)[nH]c3c2cccc3F)n1 ZINC000067587070 215165248 /nfs/dbraw/zinc/16/52/48/215165248.db2.gz BGVPINJKIDTDLZ-HNNXBMFYSA-N 0 0 342.374 3.213 50 0 EGAARN Cc1oc(-c2ccco2)nc1COc1cccc2ccc(C(N)=O)nc21 ZINC000067560725 215162196 /nfs/dbraw/zinc/16/21/96/215162196.db2.gz 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/nfs/dbraw/zinc/17/87/06/215178706.db2.gz UEXZJYZJPHNGOH-SCLBCKFNSA-N 0 0 334.847 3.455 50 0 EGAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NCC3CC3)nc2)C1 ZINC000067675498 215181130 /nfs/dbraw/zinc/18/11/30/215181130.db2.gz DJDFECMUQCBOJP-KRWDZBQOSA-N 0 0 343.471 3.371 50 0 EGAARN CC[C@@H](O)CN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067688695 215184500 /nfs/dbraw/zinc/18/45/00/215184500.db2.gz CPNZBSJARGQDDD-OAHLLOKOSA-N 0 0 333.453 3.394 50 0 EGAARN CC(C)Cc1ncc2c(n1)CN(C(=O)Cc1cn(C)c3ccccc13)C2 ZINC000067696033 215189461 /nfs/dbraw/zinc/18/94/61/215189461.db2.gz VWKJKNDRLHLHPZ-UHFFFAOYSA-N 0 0 348.450 3.252 50 0 EGAARN O=C(NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1onc2ccccc21 ZINC000067726458 215195566 /nfs/dbraw/zinc/19/55/66/215195566.db2.gz LNQAFJFFIISBET-ZDUSSCGKSA-N 0 0 341.436 3.141 50 0 EGAARN O=C(c1onc2ccccc21)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000067741911 215200471 /nfs/dbraw/zinc/20/04/71/215200471.db2.gz FJKGJADSRYKVCV-OAHLLOKOSA-N 0 0 337.379 3.044 50 0 EGAARN 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Cc1cc2cc(CCNC(=O)c3ccccc3C)c(=O)[nH]c2cc1C ZINC000000427741 452589004 /nfs/dbraw/zinc/58/90/04/452589004.db2.gz ZGRSHYUCLNSNGU-UHFFFAOYSA-N 0 0 334.419 3.426 50 0 EGAARN O=C(NC(=O)c1ccccn1)NC(c1ccccc1)c1ccccc1 ZINC000000437558 452592762 /nfs/dbraw/zinc/59/27/62/452592762.db2.gz VGRFFFIIBURSEZ-UHFFFAOYSA-N 0 0 331.375 3.311 50 0 EGAARN O=C(NC1CC1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000000467599 452600499 /nfs/dbraw/zinc/60/04/99/452600499.db2.gz WXRPRGUHSRCLLM-UHFFFAOYSA-N 0 0 329.249 3.307 50 0 EGAARN CCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1 ZINC000000470077 452602802 /nfs/dbraw/zinc/60/28/02/452602802.db2.gz QHDUICTUNKCDNF-UHFFFAOYSA-N 0 0 338.201 3.300 50 0 EGAARN COc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1OC ZINC000000485840 452606326 /nfs/dbraw/zinc/60/63/26/452606326.db2.gz FKVOYQWSIPQIAK-QGZVFWFLSA-N 0 0 345.351 3.002 50 0 biogenic EGAARN COc1ccc(CCN2C(=S)SC(C)(C)C[C@@]2(C)O)cc1 ZINC000000501689 452608206 /nfs/dbraw/zinc/60/82/06/452608206.db2.gz JEANBDXDOLCNHT-MRXNPFEDSA-N 0 0 325.499 3.449 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326.421 3.163 50 0 aggregator EGAARN CC(=O)Nc1ccc2nc(NC(=O)COc3cccc(C)c3)oc2c1 ZINC000000557639 452622297 /nfs/dbraw/zinc/62/22/97/452622297.db2.gz CZXHXTYZDWQQEO-UHFFFAOYSA-N 0 0 339.351 3.112 50 0 EGAARN Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 ZINC000000565148 452624501 /nfs/dbraw/zinc/62/45/01/452624501.db2.gz MIZPJGWNKUMJFK-GOSISDBHSA-N 0 0 329.783 3.370 50 0 EGAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000000572291 452626567 /nfs/dbraw/zinc/62/65/67/452626567.db2.gz ICUQZQUXYKRDJC-CQSZACIVSA-N 0 0 327.380 3.496 50 0 EGAARN COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 ZINC000000611803 452631293 /nfs/dbraw/zinc/63/12/93/452631293.db2.gz YSCUVMZQMPFKMA-KRWDZBQOSA-N 0 0 326.396 3.088 50 0 EGAARN CN(C)c1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000617923 452633729 /nfs/dbraw/zinc/63/37/29/452633729.db2.gz PISMXYPJWABSFJ-UHFFFAOYSA-N 0 0 343.471 3.389 50 0 EGAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000000755257 452634825 /nfs/dbraw/zinc/63/48/25/452634825.db2.gz XABBHFOUAHTFHN-UHFFFAOYSA-N 0 0 339.376 3.244 50 0 EGAARN O=C(c1ccccc1)N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000782941 452635650 /nfs/dbraw/zinc/63/56/50/452635650.db2.gz NEJYVPPSHHBOEN-UHFFFAOYSA-N 0 0 344.414 3.438 50 0 EGAARN CC(C)(CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815150 452637036 /nfs/dbraw/zinc/63/70/36/452637036.db2.gz RYNKKGBBXAJDAW-UHFFFAOYSA-N 0 0 329.183 3.149 50 0 EGAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1S(C)(=O)=O ZINC000001077328 452645228 /nfs/dbraw/zinc/64/52/28/452645228.db2.gz GKLCJYWLCNRYFM-LLVKDONJSA-N 0 0 326.468 3.229 50 0 EGAARN Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCc2ccccc2)CC1=O ZINC000001072495 452645539 /nfs/dbraw/zinc/64/55/39/452645539.db2.gz SMFUWGJTJSOMGB-HNNXBMFYSA-N 0 0 342.826 3.318 50 0 EGAARN O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000001164998 452646094 /nfs/dbraw/zinc/64/60/94/452646094.db2.gz PRQMAHOKDFXZSS-UHFFFAOYSA-N 0 0 344.436 3.114 50 0 EGAARN CCOC(=O)[C@@H](C)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1C 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ZINC000001396513 452660587 /nfs/dbraw/zinc/66/05/87/452660587.db2.gz AJGUQWMFNSCFEO-UHFFFAOYSA-N 0 0 340.120 3.297 50 0 EGAARN CCOc1ccc(-c2csc(CCNC(=O)C(F)(F)F)n2)cc1 ZINC000001415063 452661660 /nfs/dbraw/zinc/66/16/60/452661660.db2.gz CCNFIZRBJRUAIJ-UHFFFAOYSA-N 0 0 344.358 3.430 50 0 EGAARN O=C(NCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000001426189 452664150 /nfs/dbraw/zinc/66/41/50/452664150.db2.gz AFCKUAUSSVLYEZ-SFHVURJKSA-N 0 0 337.423 3.042 50 0 EGAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Oc1ccccc1)c1ccccc1 ZINC000001427111 452664251 /nfs/dbraw/zinc/66/42/51/452664251.db2.gz MSPOMUWFJZWNBR-ROUUACIJSA-N 0 0 331.437 3.355 50 0 EGAARN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)CCC2 ZINC000001460347 452665045 /nfs/dbraw/zinc/66/50/45/452665045.db2.gz YOQBSLJPWMEOQR-GFCCVEGCSA-N 0 0 325.364 3.310 50 0 EGAARN O[C@H](COc1ccc(Br)cc1)Cn1cnc2ccccc21 ZINC000001471164 452667848 /nfs/dbraw/zinc/66/78/48/452667848.db2.gz MUWREEZEWJJJBI-ZDUSSCGKSA-N 0 0 347.212 3.239 50 0 EGAARN O=C(NC[C@@H](O)c1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 ZINC000002120822 452685379 /nfs/dbraw/zinc/68/53/79/452685379.db2.gz ZQIOODSRUQEUQY-LJQANCHMSA-N 0 0 331.375 3.180 50 0 biogenic EGAARN CCOC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F ZINC000002272565 452693199 /nfs/dbraw/zinc/69/31/99/452693199.db2.gz LDFQHUFYVQLBSD-UHFFFAOYSA-N 0 0 346.227 3.371 50 0 EGAARN CCN(CC)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000002435299 452697455 /nfs/dbraw/zinc/69/74/55/452697455.db2.gz CKUSNHHOCHXPAQ-UHFFFAOYSA-N 0 0 338.864 3.096 50 0 EGAARN Cc1cc(SCCOc2ccc(Br)cc2)nc(N)n1 ZINC000002488825 452699732 /nfs/dbraw/zinc/69/97/32/452699732.db2.gz FVDRIFMLCPJCLL-UHFFFAOYSA-N 0 0 340.246 3.301 50 0 EGAARN CCCCc1ccc(N2C[C@H](C(=O)Nc3nccs3)CC2=O)cc1 ZINC000002503589 452702232 /nfs/dbraw/zinc/70/22/32/452702232.db2.gz HOUYLHXVFLEEJN-CQSZACIVSA-N 0 0 343.452 3.477 50 0 EGAARN O=C(CCC1OCCCO1)c1ccc(I)cc1 ZINC000002581202 452706063 /nfs/dbraw/zinc/70/60/63/452706063.db2.gz PXUXVZGRGYZBOX-UHFFFAOYSA-N 0 0 346.164 3.017 50 0 EGAARN CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000002604149 452706611 /nfs/dbraw/zinc/70/66/11/452706611.db2.gz OBVGMWVKVJISNB-MRXNPFEDSA-N 0 0 336.391 3.189 50 0 EGAARN CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C ZINC000002702334 452714307 /nfs/dbraw/zinc/71/43/07/452714307.db2.gz SVHZZRUCWOYDFL-UHFFFAOYSA-N 0 0 331.437 3.141 50 0 EGAARN O=C(c1cccnc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002742782 452717827 /nfs/dbraw/zinc/71/78/27/452717827.db2.gz MIVQELZFBOVPJZ-UHFFFAOYSA-N 0 0 336.222 3.351 50 0 EGAARN COc1ccccc1C(=O)N1CCN(CCCc2ccccc2)CC1 ZINC000002734521 452718332 /nfs/dbraw/zinc/71/83/32/452718332.db2.gz XDQDCNVTPLRQQQ-UHFFFAOYSA-N 0 0 338.451 3.086 50 0 EGAARN O=C(Nc1ccncc1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 ZINC000002777019 452722396 /nfs/dbraw/zinc/72/23/96/452722396.db2.gz AEIVGCGVUOHBRC-UHFFFAOYSA-N 0 0 329.310 3.192 50 0 EGAARN Cc1nc(NC(=O)[C@@H](C)n2ncc(Br)c2C)sc1C ZINC000002780526 452722673 /nfs/dbraw/zinc/72/26/73/452722673.db2.gz HUPQFLBOVHQRSU-MRVPVSSYSA-N 0 0 343.250 3.227 50 0 EGAARN Cc1nn(CCCNC(=S)N[C@H](C)c2ccccc2)cc1Cl ZINC000002794175 452723442 /nfs/dbraw/zinc/72/34/42/452723442.db2.gz LIDORRKSHBNLEB-GFCCVEGCSA-N 0 0 336.892 3.460 50 0 EGAARN Cc1nn(C)cc1N1C(=S)N=NC1[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000002792110 452723729 /nfs/dbraw/zinc/72/37/29/452723729.db2.gz KDLHDUFGOSAUBQ-KGLIPLIRSA-N 0 0 325.441 3.177 50 0 EGAARN Cn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1F ZINC000002802560 452725859 /nfs/dbraw/zinc/72/58/59/452725859.db2.gz ZRHFSGMXAVJSCM-UHFFFAOYSA-N 0 0 346.358 3.187 50 0 EGAARN O=S(=O)(NC1CCCCCC1)c1ccc(Br)cc1 ZINC000002801324 452725882 /nfs/dbraw/zinc/72/58/82/452725882.db2.gz AEAPJBWPNUFEEE-UHFFFAOYSA-N 0 0 332.263 3.450 50 0 EGAARN Cc1nn(CCc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1Cl ZINC000002804056 452726415 /nfs/dbraw/zinc/72/64/15/452726415.db2.gz UJQMGHGHQCJJPJ-UHFFFAOYSA-N 0 0 346.774 3.175 50 0 EGAARN Cc1ccc(OCCNC(=O)c2cc(=O)c3ccccc3o2)cc1C ZINC000002817537 452727259 /nfs/dbraw/zinc/72/72/59/452727259.db2.gz IBYLOXQNXNGYDX-UHFFFAOYSA-N 0 0 337.375 3.219 50 0 EGAARN O=C(NCCc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000002873929 452731775 /nfs/dbraw/zinc/73/17/75/452731775.db2.gz UEFJTYLAIMENNY-UHFFFAOYSA-N 0 0 326.783 3.363 50 0 EGAARN CCOCCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 ZINC000002879147 452731942 /nfs/dbraw/zinc/73/19/42/452731942.db2.gz VCSMPKCNIBBOKA-UHFFFAOYSA-N 0 0 343.811 3.091 50 0 EGAARN CCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000002865897 452732504 /nfs/dbraw/zinc/73/25/04/452732504.db2.gz QPQNGMRGBDITML-UHFFFAOYSA-N 0 0 335.411 3.244 50 0 EGAARN COC(=O)[C@@](O)(c1ccc(NCc2ccccc2)cc1)C(F)(F)F ZINC000002877181 452732658 /nfs/dbraw/zinc/73/26/58/452732658.db2.gz HZYRXARTFQSLCT-INIZCTEOSA-N 0 0 339.313 3.222 50 0 EGAARN O=C(NCCSc1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 ZINC000002982916 452737709 /nfs/dbraw/zinc/73/77/09/452737709.db2.gz QEKURTGDYSMCQR-MRXNPFEDSA-N 0 0 349.839 3.388 50 0 EGAARN CCCC[C@H](C(=O)OC)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000003003056 452739949 /nfs/dbraw/zinc/73/99/49/452739949.db2.gz XNICOCUDKPDNDF-GFCCVEGCSA-N 0 0 344.194 3.321 50 0 EGAARN COc1cccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C)c1OC ZINC000003182908 452745609 /nfs/dbraw/zinc/74/56/09/452745609.db2.gz VBXOYPBJXJNRTP-LJQANCHMSA-N 0 0 343.423 3.298 50 0 EGAARN Cc1ccc(C)c(NC[C@@H](O)CNC(=S)Nc2ccccc2)c1 ZINC000003148554 452745698 /nfs/dbraw/zinc/74/56/98/452745698.db2.gz UOIDAADFLBQUNV-MRXNPFEDSA-N 0 0 329.469 3.063 50 0 EGAARN O=C(CN1CCc2ccccc2C1)Nc1ccc(Br)cc1 ZINC000003232681 452751037 /nfs/dbraw/zinc/75/10/37/452751037.db2.gz HUKILHVAOCNCOH-UHFFFAOYSA-N 0 0 345.240 3.446 50 0 EGAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccnc1Cl ZINC000003276404 452756548 /nfs/dbraw/zinc/75/65/48/452756548.db2.gz JIMNFJCUIXUVGJ-CYBMUJFWSA-N 0 0 346.814 3.029 50 0 EGAARN COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccc(C)cc1 ZINC000003497877 452771760 /nfs/dbraw/zinc/77/17/60/452771760.db2.gz FWDFSJNTDKSJPZ-UHFFFAOYSA-N 0 0 333.771 3.453 50 0 EGAARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1C ZINC000003907173 452788706 /nfs/dbraw/zinc/78/87/06/452788706.db2.gz NEZIMRKBVYNPDL-INIZCTEOSA-N 0 0 326.400 3.219 50 0 EGAARN Cc1ccc(CNc2nc3c(cnn3C)c(N3CCCCC3)n2)cc1 ZINC000004375011 452801174 /nfs/dbraw/zinc/80/11/74/452801174.db2.gz GJRDNGOSWAENQI-UHFFFAOYSA-N 0 0 336.443 3.274 50 0 EGAARN C[C@@H](NC(=O)CCC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000004550582 452807902 /nfs/dbraw/zinc/80/79/02/452807902.db2.gz DNEQEYAWAWTCKE-CQSZACIVSA-N 0 0 328.387 3.100 50 0 EGAARN CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000004551782 452809060 /nfs/dbraw/zinc/80/90/60/452809060.db2.gz YGEQDKDXMQJXFL-UHFFFAOYSA-N 0 0 328.387 3.187 50 0 EGAARN O=C(Cn1ccc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000004676465 452812436 /nfs/dbraw/zinc/81/24/36/452812436.db2.gz KBWJQXSESMNCNK-UHFFFAOYSA-N 0 0 337.398 3.129 50 0 EGAARN CC(C)COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000004869995 452824666 /nfs/dbraw/zinc/82/46/66/452824666.db2.gz AUBXKQCETZRTOQ-UHFFFAOYSA-N 0 0 339.439 3.079 50 0 EGAARN CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000005185822 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Cc1cc(C(=O)NCc2cnn3cccnc23)c2ccc(C)c(C)c2n1 ZINC000077472259 216913678 /nfs/dbraw/zinc/91/36/78/216913678.db2.gz PPUHXFBAMWJGKN-UHFFFAOYSA-N 0 0 345.406 3.133 50 0 EGAARN Cc1ncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(C)n1 ZINC000077505318 216922851 /nfs/dbraw/zinc/92/28/51/216922851.db2.gz DGTRLXKNHYTRLV-UHFFFAOYSA-N 0 0 345.830 3.430 50 0 EGAARN CCc1ccc(CCCC(=O)N2CCC3(CN(C)C(=O)O3)CC2)cc1 ZINC000077505649 216922909 /nfs/dbraw/zinc/92/29/09/216922909.db2.gz PLTWFNBOMTXCLV-UHFFFAOYSA-N 0 0 344.455 3.015 50 0 EGAARN CCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(C)CC3)C2=O)cc1 ZINC000019771993 212063677 /nfs/dbraw/zinc/06/36/77/212063677.db2.gz KNZRDNVUKXSFAQ-GOSISDBHSA-N 0 0 344.455 3.229 50 0 EGAARN COC(=O)[C@H](C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000000098443 284267162 /nfs/dbraw/zinc/26/71/62/284267162.db2.gz PBHHWXWULFDALR-NSHDSACASA-N 0 0 328.393 3.167 50 0 EGAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)COc1ccccc1F ZINC000078582444 217080682 /nfs/dbraw/zinc/08/06/82/217080682.db2.gz DFHBYWCTURHCAO-KRWDZBQOSA-N 0 0 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452566676 /nfs/dbraw/zinc/56/66/76/452566676.db2.gz QMSNNSZMGDRLLD-UHFFFAOYSA-N 0 0 348.811 3.253 50 0 EGAARN Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000000355646 452569900 /nfs/dbraw/zinc/56/99/00/452569900.db2.gz LWLNFUQGBDQIFM-QGZVFWFLSA-N 0 0 348.324 3.496 50 0 EGAARN COc1ccccc1CNn1cnnc1SCc1ccc(F)cc1 ZINC000000359859 452570613 /nfs/dbraw/zinc/57/06/13/452570613.db2.gz ATVRDOWFLQGYDI-UHFFFAOYSA-N 0 0 344.415 3.462 50 0 EGAARN CCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 ZINC000000365528 452572149 /nfs/dbraw/zinc/57/21/49/452572149.db2.gz LTBGBHGXWMMDLK-UHFFFAOYSA-N 0 0 339.800 3.318 50 0 EGAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ncccc1C ZINC000000361083 452572230 /nfs/dbraw/zinc/57/22/30/452572230.db2.gz LADCUXPSZSTSKA-UHFFFAOYSA-N 0 0 335.816 3.179 50 0 EGAARN O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(F)cc1 ZINC000000386059 452578146 /nfs/dbraw/zinc/57/81/46/452578146.db2.gz AWFAHQNYGBLQIG-UHFFFAOYSA-N 0 0 344.371 3.392 50 0 EGAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccccc1Cl ZINC000000389325 452578525 /nfs/dbraw/zinc/57/85/25/452578525.db2.gz CAQWKZMYHBKXJB-UHFFFAOYSA-N 0 0 348.189 3.342 50 0 EGAARN COc1cccc(-c2nnc(SCC(=O)N3CCCC[C@H]3C)o2)c1 ZINC000000417713 452582714 /nfs/dbraw/zinc/58/27/14/452582714.db2.gz OGVQNMOBEMFXHL-GFCCVEGCSA-N 0 0 347.440 3.238 50 0 EGAARN CCn1c(C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000421172 452585298 /nfs/dbraw/zinc/58/52/98/452585298.db2.gz USBYVGDLERHZSW-UHFFFAOYSA-N 0 0 344.362 3.356 50 0 EGAARN CCc1nnc(NC(=O)c2ccc(OC)c(Br)c2)s1 ZINC000000443769 452593026 /nfs/dbraw/zinc/59/30/26/452593026.db2.gz UHTCUPAOLRIPFA-UHFFFAOYSA-N 0 0 342.218 3.124 50 0 EGAARN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1 ZINC000000471808 452602080 /nfs/dbraw/zinc/60/20/80/452602080.db2.gz QBJWOYPZYDFDRG-UHFFFAOYSA-N 0 0 343.452 3.059 50 0 EGAARN CSc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000000472574 452602755 /nfs/dbraw/zinc/60/27/55/452602755.db2.gz DWBAZWPFXWLPLP-UHFFFAOYSA-N 0 0 336.438 3.168 50 0 EGAARN COc1ccc(S(=O)(=O)N2CCC(C)CC2)c(Cl)c1Cl ZINC000000479645 452604144 /nfs/dbraw/zinc/60/41/44/452604144.db2.gz CJIMCGCCIVQABH-UHFFFAOYSA-N 0 0 338.256 3.423 50 0 EGAARN CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 ZINC000000482428 452606583 /nfs/dbraw/zinc/60/65/83/452606583.db2.gz IVGPYONRZVZATJ-UHFFFAOYSA-N 0 0 329.327 3.214 50 0 EGAARN COc1ccc(OC)c(/C=C2\N=C(c3cccc(F)c3)OC2=O)c1 ZINC000000508106 452610385 /nfs/dbraw/zinc/61/03/85/452610385.db2.gz BSDYOFRCGIWVOZ-GDNBJRDFSA-N 0 0 327.311 3.187 50 0 EGAARN COn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1 ZINC000000524079 452612590 /nfs/dbraw/zinc/61/25/90/452612590.db2.gz XXGZDOJYJXZHSB-UHFFFAOYSA-N 0 0 332.812 3.401 50 0 EGAARN CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccn1 ZINC000000523121 452612665 /nfs/dbraw/zinc/61/26/65/452612665.db2.gz AIVBIMLPKQJCSA-MHECFPHRSA-N 0 0 348.383 3.415 50 0 EGAARN COc1ccc(CCn2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1 ZINC000000525598 452614309 /nfs/dbraw/zinc/61/43/09/452614309.db2.gz DCGFDHVQXXQZJI-UHFFFAOYSA-N 0 0 333.391 3.438 50 0 biogenic EGAARN COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)ccc1O ZINC000000530586 452615623 /nfs/dbraw/zinc/61/56/23/452615623.db2.gz GOSLVLCJUVZQNB-UHFFFAOYSA-N 0 0 346.427 3.038 50 0 EGAARN CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OC ZINC000000539745 452618812 /nfs/dbraw/zinc/61/88/12/452618812.db2.gz QPVIRFYSQVWTRG-SKDRFNHKSA-N 0 0 332.322 3.415 50 0 EGAARN CC1(C)NC(=O)N(CCOc2cccc(Oc3ccccc3)c2)C1=O ZINC000000613966 452631369 /nfs/dbraw/zinc/63/13/69/452631369.db2.gz MSAVKMYHBCLMAF-UHFFFAOYSA-N 0 0 340.379 3.188 50 0 EGAARN O=C(CCc1ccccc1)Nc1ccc2c3c1cccc3C(=O)NC2=O ZINC000000613811 452631715 /nfs/dbraw/zinc/63/17/15/452631715.db2.gz UTBTXXMTQZYYMZ-UHFFFAOYSA-N 0 0 344.370 3.295 50 0 EGAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000000801516 452635359 /nfs/dbraw/zinc/63/53/59/452635359.db2.gz BKTANHWPWXJYNZ-RYUDHWBXSA-N 0 0 349.431 3.472 50 0 EGAARN O=c1/c(=C/c2ccc(OCC3CC3)cc2)sc2nc3ccccc3n12 ZINC000001010723 452641469 /nfs/dbraw/zinc/64/14/69/452641469.db2.gz 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/nfs/dbraw/zinc/65/90/05/452659005.db2.gz ONSQTENCLAUKIG-UHFFFAOYSA-N 0 0 326.215 3.136 50 0 EGAARN Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(CC(C)C)c1=O ZINC000001397544 452660030 /nfs/dbraw/zinc/66/00/30/452660030.db2.gz GGMBSFQBBYRKSF-UHFFFAOYSA-N 0 0 333.453 3.262 50 0 EGAARN CCC(=O)c1c(NCCc2ccc(OC)c(OC)c2)cc(C)oc1=O ZINC000001430678 452665623 /nfs/dbraw/zinc/66/56/23/452665623.db2.gz ZXLAOBZSOKIJOI-UHFFFAOYSA-N 0 0 345.395 3.213 50 0 EGAARN COc1cc(/C=C/Cc2cc3c(cc2O)OCO3)cc(OC)c1OC ZINC000001611525 452670287 /nfs/dbraw/zinc/67/02/87/452670287.db2.gz XDXGKGZXRGQZEK-SNAWJCMRSA-N 0 0 344.363 3.403 50 0 EGAARN Cc1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 ZINC000001787239 452678801 /nfs/dbraw/zinc/67/88/01/452678801.db2.gz QHKCUBSOVYCJJM-UHFFFAOYSA-N 0 0 326.396 3.200 50 0 EGAARN COC(=O)c1ccccc1NCc1cc(=O)oc2cc(OC)ccc12 ZINC000002112713 452685126 /nfs/dbraw/zinc/68/51/26/452685126.db2.gz DWENLMUFTKMYIJ-UHFFFAOYSA-N 0 0 339.347 3.200 50 0 biogenic EGAARN CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O ZINC000002062762 452685457 /nfs/dbraw/zinc/68/54/57/452685457.db2.gz VVZRXWXTANJEAV-UHFFFAOYSA-N 0 0 339.347 3.063 50 0 EGAARN CC(=O)NC(NNc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000002050534 452686155 /nfs/dbraw/zinc/68/61/55/452686155.db2.gz JYCFESBFHRXCEJ-UHFFFAOYSA-N 0 0 349.662 3.214 50 0 EGAARN COn1c(=O)c2ccccc2nc1SCCCc1ccccc1 ZINC000002420755 452698289 /nfs/dbraw/zinc/69/82/89/452698289.db2.gz QCVHKENBXQGSSO-UHFFFAOYSA-N 0 0 326.421 3.180 50 0 EGAARN CCOC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCCC2 ZINC000002487564 452699416 /nfs/dbraw/zinc/69/94/16/452699416.db2.gz NRVLDEUXRJXXRC-UHFFFAOYSA-N 0 0 334.363 3.420 50 0 EGAARN O=C(NCc1cccnc1)c1cc(Br)ccc1Cl ZINC000002617910 452706536 /nfs/dbraw/zinc/70/65/36/452706536.db2.gz OXAAILJIWQMHAD-UHFFFAOYSA-N 0 0 325.593 3.428 50 0 EGAARN Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C ZINC000002596062 452707099 /nfs/dbraw/zinc/70/70/99/452707099.db2.gz IAYNHKPIPLAUCX-UHFFFAOYSA-N 0 0 340.423 3.158 50 0 EGAARN Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c(C)c1 ZINC000002730789 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/nfs/dbraw/zinc/45/41/97/454454197.db2.gz VINJLNPWBOMISH-SFHVURJKSA-N 0 0 346.858 3.446 50 0 EGAARN CCCc1nc(C(=O)N2CCCC[C@H]2CCn2ccnc2)cs1 ZINC000091663293 454454677 /nfs/dbraw/zinc/45/46/77/454454677.db2.gz PMKQDXISJMFFJB-AWEZNQCLSA-N 0 0 332.473 3.377 50 0 EGAARN Cc1ccc(-c2nnc(Cc3nc(-c4ccccn4)no3)o2)cc1F ZINC000065185538 454536930 /nfs/dbraw/zinc/53/69/30/454536930.db2.gz KXIZVRIQPYJRPE-UHFFFAOYSA-N 0 0 337.314 3.220 50 0 EGAARN Cc1nnc(SCCNC(=O)C[C@H]2CCc3ccccc32)s1 ZINC000065374905 454556700 /nfs/dbraw/zinc/55/67/00/454556700.db2.gz KVJBUVAHJUDPQN-CYBMUJFWSA-N 0 0 333.482 3.175 50 0 EGAARN COc1ccc(CNC(=O)[C@H](c2cccc(C)c2)N(C)C)c(F)c1F ZINC000065419020 454563766 /nfs/dbraw/zinc/56/37/66/454563766.db2.gz PZNQPQZZIPQYAH-SFHVURJKSA-N 0 0 348.393 3.201 50 0 EGAARN Cc1cn2c(n1)CC[C@H](NC(=O)Cc1coc3cc(C)c(C)cc13)C2 ZINC000065463334 454571738 /nfs/dbraw/zinc/57/17/38/454571738.db2.gz KRPAFCVVEJCFSN-INIZCTEOSA-N 0 0 337.423 3.228 50 0 EGAARN CN1CCc2ncnc(N3CCC(c4cc5ccccc5[nH]4)CC3)c2C1 ZINC000065476340 454574086 /nfs/dbraw/zinc/57/40/86/454574086.db2.gz OZLDIMOEGJVAJJ-UHFFFAOYSA-N 0 0 347.466 3.330 50 0 EGAARN Cc1ccc([C@@H](C)NC(=O)CN(Cc2cncs2)C2CC2)cc1 ZINC000065500551 454578355 /nfs/dbraw/zinc/57/83/55/454578355.db2.gz ISTFYRGPASEAIO-CQSZACIVSA-N 0 0 329.469 3.293 50 0 EGAARN CCCn1ncc(C(=O)NCc2cnn(-c3ccccc3C)c2)c1C ZINC000065507612 454579902 /nfs/dbraw/zinc/57/99/02/454579902.db2.gz RUHVRKBWTIHFNG-UHFFFAOYSA-N 0 0 337.427 3.026 50 0 EGAARN CCOc1cccc([C@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)c1O ZINC000065509038 454580824 /nfs/dbraw/zinc/58/08/24/454580824.db2.gz OFQJYPLKARXTGY-GFCCVEGCSA-N 0 0 327.384 3.256 50 0 EGAARN Cc1cc2c(cc1N1CCCC1=O)NC(=O)C[C@@H]2c1ccncc1F ZINC000065528035 454585277 /nfs/dbraw/zinc/58/52/77/454585277.db2.gz SRVQXSSWRZBGLE-CYBMUJFWSA-N 0 0 339.370 3.130 50 0 EGAARN COc1ccc(OC)c(CN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)C2CC2)c1 ZINC000135479754 454682385 /nfs/dbraw/zinc/68/23/85/454682385.db2.gz OYXWGQIRTOFPFL-SCLBCKFNSA-N 0 0 345.439 3.200 50 0 EGAARN CC(C)(C)OC(=O)CN1C(=O)CCc2cc(Br)ccc21 ZINC000168343773 454925749 /nfs/dbraw/zinc/92/57/49/454925749.db2.gz FHVGZKJWHYJCCN-UHFFFAOYSA-N 0 0 340.217 3.070 50 0 EGAARN Cc1ccccc1N1C(=N)SC(CC(=O)Nc2ccccc2)C1=O ZINC000170623835 454944109 /nfs/dbraw/zinc/94/41/09/454944109.db2.gz UBQQPCNIJCGJND-HNNXBMFYSA-N 0 0 339.420 3.407 50 0 EGAARN CCn1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000129693837 455122169 /nfs/dbraw/zinc/12/21/69/455122169.db2.gz QVPNIELZKZHKEQ-MRXNPFEDSA-N 0 0 325.412 3.469 50 0 EGAARN Cc1noc(C)c1C(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000245026590 455277854 /nfs/dbraw/zinc/27/78/54/455277854.db2.gz NBVDRXOVDCRWJU-NSHDSACASA-N 0 0 344.396 3.033 50 0 EGAARN Cc1ccccc1NC(=O)[C@@H](C)N1CCC(O)(c2ccccc2)CC1 ZINC000185489526 455565459 /nfs/dbraw/zinc/56/54/59/455565459.db2.gz KKLUYNFJWFSXEM-QGZVFWFLSA-N 0 0 338.451 3.306 50 0 EGAARN O=C(CCC(=O)NC1CCCC1)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000252491587 455811643 /nfs/dbraw/zinc/81/16/43/455811643.db2.gz LOCSHLYGWCIGQA-UHFFFAOYSA-N 0 0 347.846 3.277 50 0 EGAARN COc1ccccc1[C@H]1CCCN1Cc1nnc(-c2cccnc2)o1 ZINC000252501335 455815155 /nfs/dbraw/zinc/81/51/55/455815155.db2.gz UEGSLSSTHJBCEW-MRXNPFEDSA-N 0 0 336.395 3.477 50 0 EGAARN COc1cc(CCC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)on1 ZINC000253413178 455840756 /nfs/dbraw/zinc/84/07/56/455840756.db2.gz UBFZFVCAKSHLGE-INIZCTEOSA-N 0 0 339.395 3.291 50 0 biogenic EGAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CCC(=O)N2)CC1 ZINC000216347410 456029982 /nfs/dbraw/zinc/02/99/82/456029982.db2.gz PGSFEXMVWFEEEH-UHFFFAOYSA-N 0 0 348.446 3.090 50 0 EGAARN Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@H](O)C2)c(C)o1 ZINC000219879046 456036433 /nfs/dbraw/zinc/03/64/33/456036433.db2.gz ZLISJYOWNQPUJG-FCEWJHQRSA-N 0 0 341.407 3.073 50 0 EGAARN C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nc2c(s1)CCCC2 ZINC000220028553 456038049 /nfs/dbraw/zinc/03/80/49/456038049.db2.gz TUCLIMIDHHIJMS-LLVKDONJSA-N 0 0 344.436 3.171 50 0 EGAARN Cc1nc(N)ncc1C(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000220213575 456038595 /nfs/dbraw/zinc/03/85/95/456038595.db2.gz SDIUDKROPAVXBG-INIZCTEOSA-N 0 0 328.391 3.264 50 0 EGAARN Cc1nc(C2CCN(C(=O)c3c(F)ccc(C)c3Cl)CC2)no1 ZINC000220380086 456039910 /nfs/dbraw/zinc/03/99/10/456039910.db2.gz OFWCYUGWIWZYFO-UHFFFAOYSA-N 0 0 337.782 3.499 50 0 EGAARN Cc1nc(CNC(=O)c2cc3ccccc3n2C)nc2c1CCCC2 ZINC000220442928 456040004 /nfs/dbraw/zinc/04/00/04/456040004.db2.gz LLVXSDRINVVZGS-UHFFFAOYSA-N 0 0 334.423 3.086 50 0 EGAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000220555490 456040226 /nfs/dbraw/zinc/04/02/26/456040226.db2.gz WGVDGHJPPLXMRV-OAHLLOKOSA-N 0 0 325.368 3.339 50 0 EGAARN COC[C@H]1[C@@H](NC(=O)c2ccccc2-c2ccccc2)[C@@H]2CCO[C@H]12 ZINC000220357390 456040741 /nfs/dbraw/zinc/04/07/41/456040741.db2.gz SYIJRCAXRRNYLY-MUGJNUQGSA-N 0 0 337.419 3.133 50 0 EGAARN O[C@@H](Cc1ccccc1)c1cc2n(n1)CCN(Cc1ccsc1)C2 ZINC000221398873 456043317 /nfs/dbraw/zinc/04/33/17/456043317.db2.gz UNZOVMKOHUNPQD-IBGZPJMESA-N 0 0 339.464 3.237 50 0 EGAARN OC1CC(c2cc(NCCc3cccc(C(F)(F)F)c3)ncn2)C1 ZINC000222442396 456047634 /nfs/dbraw/zinc/04/76/34/456047634.db2.gz BOLXQDSTDXQIBT-UHFFFAOYSA-N 0 0 337.345 3.388 50 0 EGAARN CCc1cc(CN(C)C(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000222742486 456049769 /nfs/dbraw/zinc/04/97/69/456049769.db2.gz JFQFTPAMUHHRNU-UHFFFAOYSA-N 0 0 326.318 3.457 50 0 EGAARN COCc1ccc(C(=O)N[C@@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)cc1 ZINC000223029218 456052832 /nfs/dbraw/zinc/05/28/32/456052832.db2.gz PVZIZGXNBGSWLP-RDGPPVDQSA-N 0 0 329.440 3.157 50 0 EGAARN Cc1nc2cc(CC(=O)N[C@@H](c3ccccc3)[C@H]3C[C@H](O)C3)ccc2[nH]1 ZINC000223213647 456054672 /nfs/dbraw/zinc/05/46/72/456054672.db2.gz NSTSZVBXSUVQJP-FVJLSDCUSA-N 0 0 349.434 3.042 50 0 EGAARN CCc1ccc(C(=O)N[C@H](c2nnc(N)s2)c2ccccc2)s1 ZINC000223727610 456059780 /nfs/dbraw/zinc/05/97/80/456059780.db2.gz DZZSQQJTMCYROO-ZDUSSCGKSA-N 0 0 344.465 3.264 50 0 EGAARN CN(C)[C@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccccc1F ZINC000223685050 456060233 /nfs/dbraw/zinc/06/02/33/456060233.db2.gz YXYIEGCTXBNTKV-IBGZPJMESA-N 0 0 341.430 3.230 50 0 EGAARN O=C(NCC1CCN(c2cccnc2)CC1)c1cc2ccccc2[nH]1 ZINC000225654639 456101771 /nfs/dbraw/zinc/10/17/71/456101771.db2.gz CJVCEIPDRVKBGW-UHFFFAOYSA-N 0 0 334.423 3.209 50 0 EGAARN Cc1cccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc32)c1 ZINC000225695569 456103994 /nfs/dbraw/zinc/10/39/94/456103994.db2.gz KNEKPDSDAHZSBM-INIZCTEOSA-N 0 0 347.461 3.222 50 0 EGAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1c(C)nn(C)c1C ZINC000298432213 456455293 /nfs/dbraw/zinc/45/52/93/456455293.db2.gz XEBWTBXHLUJASZ-IBGZPJMESA-N 0 0 341.455 3.172 50 0 EGAARN Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)n1C ZINC000299774747 456779706 /nfs/dbraw/zinc/77/97/06/456779706.db2.gz IFCZMUMPZLQSIB-SFHVURJKSA-N 0 0 343.446 3.175 50 0 EGAARN Cc1cnc(C)c(-c2cccc(C(=O)N(C)C[C@H]3CCCCO3)c2)n1 ZINC000299764561 456780187 /nfs/dbraw/zinc/78/01/87/456780187.db2.gz JDKGCRMXBLBIHA-GOSISDBHSA-N 0 0 339.439 3.402 50 0 EGAARN Cc1cc(NC(=O)NCCc2nc(C)cc(C)n2)n(C2CCCC2)n1 ZINC000299764424 456780786 /nfs/dbraw/zinc/78/07/86/456780786.db2.gz VXUAKTNQKWBXHD-UHFFFAOYSA-N 0 0 342.447 3.078 50 0 EGAARN Cc1ccccc1NC(=O)NC[C@@](O)(c1ccoc1)c1ccco1 ZINC000390827045 457443066 /nfs/dbraw/zinc/44/30/66/457443066.db2.gz SQUFKINQXANHEV-GOSISDBHSA-N 0 0 326.352 3.239 50 0 EGAARN O=C(c1ccc2[nH]ccc2c1)N1CC(N2CCc3sccc3C2)C1 ZINC000390827175 457444058 /nfs/dbraw/zinc/44/40/58/457444058.db2.gz FJQNCEHBRKQION-UHFFFAOYSA-N 0 0 337.448 3.112 50 0 EGAARN C[C@H](NC(=O)C(=O)NCc1ccc(-c2ccoc2)cc1)c1ccccc1 ZINC000390830494 457444539 /nfs/dbraw/zinc/44/45/39/457444539.db2.gz LJQRRNIMOKGAAK-HNNXBMFYSA-N 0 0 348.402 3.440 50 0 EGAARN C[C@@H](c1ccncn1)N(C)C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000426358665 457811153 /nfs/dbraw/zinc/81/11/53/457811153.db2.gz SSDSCEWMDSSXPY-VIFPVBQESA-N 0 0 349.316 3.205 50 0 EGAARN Cc1cccc(-c2ccc(C(=O)N[C@@H](C)CCn3cccn3)cc2)n1 ZINC000426423809 457828334 /nfs/dbraw/zinc/82/83/34/457828334.db2.gz WZDLWDAMHCGYJM-INIZCTEOSA-N 0 0 334.423 3.462 50 0 EGAARN CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cnc4ccccc4c3)[C@H]2C1 ZINC000426439032 457830446 /nfs/dbraw/zinc/83/04/46/457830446.db2.gz SXFGLOSDRNHSGX-XKGZKEIXSA-N 0 0 340.423 3.033 50 0 EGAARN O=C(NCc1ccon1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000426474378 457836837 /nfs/dbraw/zinc/83/68/37/457836837.db2.gz OZDJDFBSFWNJFT-SBLNNXNXSA-N 0 0 341.411 3.079 50 0 EGAARN CCn1ccnc1CN(C)C(=O)c1cccc(-c2ccc(C)nc2N)c1 ZINC000426493156 457842343 /nfs/dbraw/zinc/84/23/43/457842343.db2.gz JLEBAFLGLFISCU-UHFFFAOYSA-N 0 0 349.438 3.128 50 0 EGAARN Cc1n[nH]c(C)c1CCNC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000426489991 457842659 /nfs/dbraw/zinc/84/26/59/457842659.db2.gz GIJGEJLZTJRAFG-UHFFFAOYSA-N 0 0 339.443 3.200 50 0 EGAARN COc1ccccc1OC1CN(C(=O)N[C@H](C)Cc2ccsc2)C1 ZINC000426548748 457852269 /nfs/dbraw/zinc/85/22/69/457852269.db2.gz IZABNQIFTCWWEG-CYBMUJFWSA-N 0 0 346.452 3.161 50 0 EGAARN COc1ccccc1OC1CN(C(=O)N[C@@H](C)Cc2ccsc2)C1 ZINC000426548749 457852979 /nfs/dbraw/zinc/85/29/79/457852979.db2.gz IZABNQIFTCWWEG-ZDUSSCGKSA-N 0 0 346.452 3.161 50 0 EGAARN C[C@@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)N1CCOCC1 ZINC000426578746 457857548 /nfs/dbraw/zinc/85/75/48/457857548.db2.gz OSGNDLTURVDORH-KRWDZBQOSA-N 0 0 348.450 3.387 50 0 EGAARN O=C(NCCCN1CCCC1=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426589038 457858757 /nfs/dbraw/zinc/85/87/57/457858757.db2.gz NIDGPGUEYLPEJF-NRFANRHFSA-N 0 0 340.467 3.017 50 0 EGAARN Cn1cc(CCNC(=O)N(Cc2ccsc2)C2CCCC2)cn1 ZINC000426604690 457861829 /nfs/dbraw/zinc/86/18/29/457861829.db2.gz YQUKFROWVPYHOV-UHFFFAOYSA-N 0 0 332.473 3.179 50 0 EGAARN Cc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1C(F)F ZINC000426612332 457862014 /nfs/dbraw/zinc/86/20/14/457862014.db2.gz IDQWESXVADFINB-UHFFFAOYSA-N 0 0 330.338 3.308 50 0 EGAARN CC(C)(C)c1ccc2oc(CNC(=O)CCc3cnccn3)nc2c1 ZINC000426643041 457868502 /nfs/dbraw/zinc/86/85/02/457868502.db2.gz TVTDGZGVSXGIFH-UHFFFAOYSA-N 0 0 338.411 3.164 50 0 EGAARN Cc1ccc(CNC(=O)[C@@H](Nc2ncnc3ccccc32)C(C)C)o1 ZINC000426684336 457876702 /nfs/dbraw/zinc/87/67/02/457876702.db2.gz ANZPTZDDTYIWSF-KRWDZBQOSA-N 0 0 338.411 3.284 50 0 EGAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1onc2c1CCCC2 ZINC000426722392 457884958 /nfs/dbraw/zinc/88/49/58/457884958.db2.gz HAIXSWWXFDHEEP-UHFFFAOYSA-N 0 0 336.395 3.011 50 0 EGAARN CN(Cc1cccc2cnccc21)C(=O)N[C@H](c1nccn1C)C1CC1 ZINC000534582496 459334986 /nfs/dbraw/zinc/33/49/86/459334986.db2.gz XEDSDWOHMVANTH-SFHVURJKSA-N 0 0 349.438 3.261 50 0 EGAARN Cc1ocnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000534591655 459336312 /nfs/dbraw/zinc/33/63/12/459336312.db2.gz LMRSEWWSNPEUIJ-HNNXBMFYSA-N 0 0 333.819 3.203 50 0 EGAARN CC(C)Cc1nc(CNC(=O)N2CC[C@H]2c2ccc(F)cc2)no1 ZINC000534593157 459337175 /nfs/dbraw/zinc/33/71/75/459337175.db2.gz OINSMGWBVQWPCA-AWEZNQCLSA-N 0 0 332.379 3.064 50 0 EGAARN Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000534648728 459342037 /nfs/dbraw/zinc/34/20/37/459342037.db2.gz LGQLGDMHRANSMZ-MRXNPFEDSA-N 0 0 325.412 3.171 50 0 EGAARN CCCOc1c(CNC(=O)N(C)CC(F)(F)F)cccc1OC ZINC000534653690 459342497 /nfs/dbraw/zinc/34/24/97/459342497.db2.gz 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CCOc1ccc(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)cc1 ZINC000103699159 219319428 /nfs/dbraw/zinc/31/94/28/219319428.db2.gz XQUULSWBQXFZOF-INIZCTEOSA-N 0 0 342.420 3.092 50 0 EGAARN CSc1nsc(SCC(=O)Nc2cccc(C(C)=O)c2)n1 ZINC000002362060 209844319 /nfs/dbraw/zinc/84/43/19/209844319.db2.gz ULNMFJXIRILPAO-UHFFFAOYSA-N 0 0 339.467 3.193 50 0 EGAARN O=C(COC[C@H]1CCCO1)N1CCC(CCc2ccccc2)CC1 ZINC000069255371 215373355 /nfs/dbraw/zinc/37/33/55/215373355.db2.gz QOWUEUAVIVQENB-LJQANCHMSA-N 0 0 331.456 3.053 50 0 EGAARN Cc1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCCC2)o1 ZINC000069389543 215397914 /nfs/dbraw/zinc/39/79/14/215397914.db2.gz MDLUJINXKRCZQX-HNNXBMFYSA-N 0 0 334.366 3.433 50 0 EGAARN CCc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(Cl)c1 ZINC000040478667 213313777 /nfs/dbraw/zinc/31/37/77/213313777.db2.gz UFTXCXFGKCNCFG-UHFFFAOYSA-N 0 0 341.798 3.251 50 0 EGAARN FC(F)(F)[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CCO1 ZINC000071764102 282912537 /nfs/dbraw/zinc/91/25/37/282912537.db2.gz BYIVRVMXTBBFGK-HNNXBMFYSA-N 0 0 349.356 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CN1CCN(CC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 ZINC000019855654 212076122 /nfs/dbraw/zinc/07/61/22/212076122.db2.gz RSPCOYLMAYJEOZ-UHFFFAOYSA-N 0 0 333.435 3.083 50 0 EGAARN CC(C)n1cc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)cn1 ZINC000077485243 216916972 /nfs/dbraw/zinc/91/69/72/216916972.db2.gz GVCCFJRUSXYUPQ-SFHVURJKSA-N 0 0 344.434 3.170 50 0 EGAARN Cc1c(C(=O)Nc2ccc([C@H](C)O)cc2)nnn1-c1ccc(F)cc1 ZINC000019814244 212072444 /nfs/dbraw/zinc/07/24/44/212072444.db2.gz UTCNZGHHKQUKSA-LBPRGKRZSA-N 0 0 340.358 3.020 50 0 EGAARN COC[C@H](C)Nc1nccc(-c2cnn(-c3cccc(Cl)c3)c2)n1 ZINC000019839028 212074589 /nfs/dbraw/zinc/07/45/89/212074589.db2.gz GKOKFUZOEUMOKH-LBPRGKRZSA-N 0 0 343.818 3.430 50 0 EGAARN Cc1sc(NC(=O)C(C)C)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796574 212068636 /nfs/dbraw/zinc/06/86/36/212068636.db2.gz UYFHKOWCYJWOET-SECBINFHSA-N 0 0 345.424 3.432 50 0 EGAARN Brc1cccc(CN2CCN(Cc3ccccn3)CC2)c1 ZINC000019788402 212067038 /nfs/dbraw/zinc/06/70/38/212067038.db2.gz CNSYRXPQDJSBHS-UHFFFAOYSA-N 0 0 346.272 3.162 50 0 EGAARN COc1ccc(OC)c(CN2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000019781696 212065736 /nfs/dbraw/zinc/06/57/36/212065736.db2.gz QXTYKZUPNLDLHK-UHFFFAOYSA-N 0 0 344.430 3.161 50 0 EGAARN O=C(NCCCn1ncc2ccccc21)c1cccc(-n2cccn2)c1 ZINC000077539158 216932589 /nfs/dbraw/zinc/93/25/89/216932589.db2.gz XFCVHXFNKREGLC-UHFFFAOYSA-N 0 0 345.406 3.042 50 0 EGAARN COc1cc(-c2cccc(-c3ccn(Cc4ccccn4)n3)c2)ncn1 ZINC000019773521 212064131 /nfs/dbraw/zinc/06/41/31/212064131.db2.gz OSKLNVYBNFZVIV-UHFFFAOYSA-N 0 0 343.390 3.459 50 0 EGAARN Cc1ccn2c(c1)ncc(C(=O)N1CCC[C@H](c3ccccc3)C1)c2=O ZINC000019741298 212060193 /nfs/dbraw/zinc/06/01/93/212060193.db2.gz HDRBYLDQGFTJTM-KRWDZBQOSA-N 0 0 347.418 3.023 50 0 EGAARN CC(C)[C@H]1OCC2(COC(=O)Nc3ccccc3)CO[C@H](C(C)C)N12 ZINC000019720057 212057686 /nfs/dbraw/zinc/05/76/86/212057686.db2.gz VTLWJILLJHEQMV-IAGOWNOFSA-N 0 0 348.443 3.301 50 0 EGAARN Brc1ccc(CN2CCN(Cc3ccccc3)CC2)o1 ZINC000019536199 212039084 /nfs/dbraw/zinc/03/90/84/212039084.db2.gz 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CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)C3(CO)CC3)C2)cc1 ZINC000091873063 218082402 /nfs/dbraw/zinc/08/24/02/218082402.db2.gz YBDWYPDCQMEXFU-MRXNPFEDSA-N 0 0 343.467 3.178 50 0 EGAARN CC[C@H](NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1cnn(C)c1 ZINC000091985754 218097756 /nfs/dbraw/zinc/09/77/56/218097756.db2.gz BOUWUHHZTBBVIN-LBPRGKRZSA-N 0 0 329.429 3.061 50 0 EGAARN CCCn1ncc(C[N@H+]2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c1C ZINC000091997095 218100299 /nfs/dbraw/zinc/10/02/99/218100299.db2.gz KQTOALQWVSABAN-RBUKOAKNSA-N 0 0 341.455 3.210 50 0 EGAARN CNC(=O)c1ccc(Cn2cc(-c3ccccc3SC)nn2)cc1 ZINC000091943752 218092622 /nfs/dbraw/zinc/09/26/22/218092622.db2.gz AQPYHJPUQSQFLR-UHFFFAOYSA-N 0 0 338.436 3.075 50 0 EGAARN CCOc1ccccc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 ZINC000010789200 211190384 /nfs/dbraw/zinc/19/03/84/211190384.db2.gz DRFWNUXKOMNKCR-UHFFFAOYSA-N 0 0 335.306 3.159 50 0 EGAARN COc1ccccc1-c1ccc(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)cc1 ZINC000092078226 218116136 /nfs/dbraw/zinc/11/61/36/218116136.db2.gz 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/nfs/dbraw/zinc/96/94/30/452969430.db2.gz VUIWXIQPAPELKN-UHFFFAOYSA-N 0 0 337.466 3.238 50 0 EGAARN O=C(Nc1nnc(SCCCc2ccccc2)s1)[C@@H]1CCCO1 ZINC000006701620 452971851 /nfs/dbraw/zinc/97/18/51/452971851.db2.gz IKXUBGBOFJRXDT-ZDUSSCGKSA-N 0 0 349.481 3.381 50 0 EGAARN CC(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000006702084 452972581 /nfs/dbraw/zinc/97/25/81/452972581.db2.gz UBPRJMVCYMNQOG-AWEZNQCLSA-N 0 0 338.473 3.092 50 0 EGAARN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000006729111 452977569 /nfs/dbraw/zinc/97/75/69/452977569.db2.gz SGNUWPDBTBLYAM-KRWDZBQOSA-N 0 0 340.423 3.493 50 0 EGAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(F)cc1 ZINC000006755240 452984420 /nfs/dbraw/zinc/98/44/20/452984420.db2.gz OKJNNIXAYKAWOC-SNVBAGLBSA-N 0 0 345.305 3.421 50 0 EGAARN Cc1ccc(OCc2nnnn2-c2ccc(Br)cc2)cc1 ZINC000006759563 452984837 /nfs/dbraw/zinc/98/48/37/452984837.db2.gz IHDBDFSDQGJURD-UHFFFAOYSA-N 0 0 345.200 3.312 50 0 EGAARN CCSc1nc2c3c(sc2c(NCCO)n1)CC(C)(C)OC3 ZINC000006755603 452984899 /nfs/dbraw/zinc/98/48/99/452984899.db2.gz OXNJPOHUEIDPEM-UHFFFAOYSA-N 0 0 339.486 3.059 50 0 EGAARN CCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1 ZINC000006767575 452986119 /nfs/dbraw/zinc/98/61/19/452986119.db2.gz VYAMRIAXRXTMGZ-UHFFFAOYSA-N 0 0 339.351 3.396 50 0 EGAARN Cc1cc(C)cc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)c1 ZINC000006868289 453000371 /nfs/dbraw/zinc/00/03/71/453000371.db2.gz BWVJEPBUXSONOW-UHFFFAOYSA-N 0 0 338.396 3.245 50 0 EGAARN O=C(Cn1ccc2cc(Br)ccc21)Nc1nccs1 ZINC000006896471 453004142 /nfs/dbraw/zinc/00/41/42/453004142.db2.gz PYZRUASXWGYAJW-UHFFFAOYSA-N 0 0 336.214 3.499 50 0 EGAARN O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 ZINC000007052016 453023785 /nfs/dbraw/zinc/02/37/85/453023785.db2.gz SYJPETCAIPSIKK-BQYQJAHWSA-N 0 0 337.784 3.481 50 0 EGAARN O=C(Nc1ccncc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000007570639 453087082 /nfs/dbraw/zinc/08/70/82/453087082.db2.gz AZIHVXFTWVLFDP-UHFFFAOYSA-N 0 0 339.782 3.197 50 0 EGAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000007738490 453110895 /nfs/dbraw/zinc/11/08/95/453110895.db2.gz MWOXFNLNSQJZQY-UHFFFAOYSA-N 0 0 325.368 3.374 50 0 EGAARN COc1ccc(CNC(=O)CCn2ccc3ccccc32)cc1OC ZINC000008134112 453167566 /nfs/dbraw/zinc/16/75/66/453167566.db2.gz NQKPYNPPGJQSOX-UHFFFAOYSA-N 0 0 338.407 3.365 50 0 EGAARN COc1ccc(OC)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000008189563 453175511 /nfs/dbraw/zinc/17/55/11/453175511.db2.gz PVBOIEOCYOKLGZ-UHFFFAOYSA-N 0 0 325.320 3.063 50 0 biogenic EGAARN Cc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)o1 ZINC000008684586 453222074 /nfs/dbraw/zinc/22/20/74/453222074.db2.gz FLOUIKODXWEBEJ-INIZCTEOSA-N 0 0 341.436 3.328 50 0 EGAARN O=S(=O)(c1ccccc1)n1ccc2c1nccc2Br ZINC000008700367 453222703 /nfs/dbraw/zinc/22/27/03/453222703.db2.gz HSCQVANUQCLSJL-UHFFFAOYSA-N 0 0 337.198 3.036 50 0 EGAARN CCOC(=O)c1cnn(CC(F)(F)F)c1-c1ccccc1OC ZINC000008699851 453222772 /nfs/dbraw/zinc/22/27/72/453222772.db2.gz LQBPSWFLPWRLLI-UHFFFAOYSA-N 0 0 328.290 3.298 50 0 EGAARN CCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C ZINC000008722836 453227110 /nfs/dbraw/zinc/22/71/10/453227110.db2.gz GTNHBIWGPVGIGP-UHFFFAOYSA-N 0 0 326.396 3.071 50 0 EGAARN CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000008843712 453235262 /nfs/dbraw/zinc/23/52/62/453235262.db2.gz KRVRIZNGARJWTK-MRXNPFEDSA-N 0 0 334.828 3.451 50 0 EGAARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=C1\SC(=N)NC1=O ZINC000009109502 453242776 /nfs/dbraw/zinc/24/27/76/453242776.db2.gz DILGMGNPBLANCU-GCOCVTSNSA-N 0 0 341.436 3.136 50 0 EGAARN COc1ccccc1OCC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000011899817 453338542 /nfs/dbraw/zinc/33/85/42/453338542.db2.gz CVCDAANTUWUTQH-UHFFFAOYSA-N 0 0 329.371 3.061 50 0 EGAARN O=C(c1cc(Cc2ccc(F)cc2)no1)N1CCOc2ccccc21 ZINC000012053579 453342943 /nfs/dbraw/zinc/34/29/43/453342943.db2.gz NVEUDLKQRFILOO-UHFFFAOYSA-N 0 0 338.338 3.444 50 0 EGAARN CCCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1 ZINC000012556185 453373559 /nfs/dbraw/zinc/37/35/59/453373559.db2.gz CZTFIUZISBDXCU-UHFFFAOYSA-N 0 0 340.832 3.002 50 0 EGAARN COc1ccc(-c2cc(CNC(=O)Cc3cccs3)no2)cc1 ZINC000012638175 453388185 /nfs/dbraw/zinc/38/81/85/453388185.db2.gz YXMDNAOVXKHPQI-UHFFFAOYSA-N 0 0 328.393 3.271 50 0 EGAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1C ZINC000012714611 453392767 /nfs/dbraw/zinc/39/27/67/453392767.db2.gz YZPQJMCHOFAYHO-QGZVFWFLSA-N 0 0 341.455 3.140 50 0 EGAARN O=C(CC[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1)NC1CC1 ZINC000012711978 453393110 /nfs/dbraw/zinc/39/31/10/453393110.db2.gz HWRGTBQARKEOBV-LLVKDONJSA-N 0 0 340.876 3.313 50 0 EGAARN Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccccc1 ZINC000012866080 453418375 /nfs/dbraw/zinc/41/83/75/453418375.db2.gz BUCSZMBTBSUCNP-KRWDZBQOSA-N 0 0 338.407 3.156 50 0 EGAARN COc1cccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3nc(N)nn32)c1 ZINC000013131630 453447315 /nfs/dbraw/zinc/44/73/15/453447315.db2.gz HDGTYKLDUYYOSL-SJORKVTESA-N 0 0 335.411 3.324 50 0 aggregator EGAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Br)cs1 ZINC000013326095 453457781 /nfs/dbraw/zinc/45/77/81/453457781.db2.gz JUIHTAUUCXVWHS-UHFFFAOYSA-N 0 0 340.198 3.169 50 0 EGAARN CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1 ZINC000013330141 453458766 /nfs/dbraw/zinc/45/87/66/453458766.db2.gz WENIJNUPGYOLOP-ZDUSSCGKSA-N 0 0 328.821 3.374 50 0 EGAARN COc1ccc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc1 ZINC000013590119 453472902 /nfs/dbraw/zinc/47/29/02/453472902.db2.gz AYOJDIOUPPVLAI-LICLKQGHSA-N 0 0 336.416 3.082 50 0 EGAARN COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2cc(C)nn21 ZINC000013645189 453476246 /nfs/dbraw/zinc/47/62/46/453476246.db2.gz OPTZYYAUQPDGHO-UHFFFAOYSA-N 0 0 333.294 3.093 50 0 EGAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000013670126 453480048 /nfs/dbraw/zinc/48/00/48/453480048.db2.gz UZRNPYBHXNDAFG-AWEZNQCLSA-N 0 0 346.452 3.301 50 0 EGAARN COC(=O)C1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000013693112 453482475 /nfs/dbraw/zinc/48/24/75/453482475.db2.gz FKKPWSDYCMLQTQ-UHFFFAOYSA-N 0 0 346.374 3.287 50 0 EGAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2nccs2)cc1 ZINC000013723658 453483642 /nfs/dbraw/zinc/48/36/42/453483642.db2.gz JHOJEOYFNZDBCN-UHFFFAOYSA-N 0 0 333.413 3.420 50 0 EGAARN Fc1ccc(-c2nn3c(nnc3-c3ccc4c(c3)OCO4)s2)cc1 ZINC000013728581 453486685 /nfs/dbraw/zinc/48/66/85/453486685.db2.gz YZAFBBBUMKQPSO-UHFFFAOYSA-N 0 0 340.339 3.388 50 0 EGAARN Cc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)C[C@@H]2C)cc1 ZINC000013737049 453487027 /nfs/dbraw/zinc/48/70/27/453487027.db2.gz ZVESSFJVYNEVPQ-SFHVURJKSA-N 0 0 337.467 3.453 50 0 EGAARN COc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013937990 453490124 /nfs/dbraw/zinc/49/01/24/453490124.db2.gz WAAKVEUDQKEWQP-UHFFFAOYSA-N 0 0 333.453 3.471 50 0 EGAARN C[C@@H](NC(=O)c1coc(COc2cccc3cnccc32)n1)C1CC1 ZINC000014962483 453549794 /nfs/dbraw/zinc/54/97/94/453549794.db2.gz HWUVRWFCKQLZDW-GFCCVEGCSA-N 0 0 337.379 3.330 50 0 EGAARN O=C(/C=C/c1cccc(F)c1F)N1CCC[C@@H](c2ccncn2)C1 ZINC000015000443 453550400 /nfs/dbraw/zinc/55/04/00/453550400.db2.gz PCEULFZWHKTBKV-PSKZRQQASA-N 0 0 329.350 3.174 50 0 EGAARN COc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1C ZINC000015011289 453550580 /nfs/dbraw/zinc/55/05/80/453550580.db2.gz FYXVFFRVZLGNBL-PTNGSMBKSA-N 0 0 330.453 3.394 50 0 EGAARN COCn1cc(S(=O)(=O)c2ccc(C)cc2)c2cc(OC)ccc21 ZINC000015019322 453552222 /nfs/dbraw/zinc/55/22/22/453552222.db2.gz BSNQJOFJFCZFNR-UHFFFAOYSA-N 0 0 345.420 3.395 50 0 EGAARN Cn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000015084570 453555782 /nfs/dbraw/zinc/55/57/82/453555782.db2.gz WVRVRQIZEOKKQV-UHFFFAOYSA-N 0 0 329.791 3.055 50 0 EGAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(Nc3ccccc3)n[nH]c2N1 ZINC000015085992 453556271 /nfs/dbraw/zinc/55/62/71/453556271.db2.gz KIKBDONYBSCREP-CYBMUJFWSA-N 0 0 348.362 3.356 50 0 EGAARN CCCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000016159729 453597342 /nfs/dbraw/zinc/59/73/42/453597342.db2.gz RASKGVJGSUZJIE-UHFFFAOYSA-N 0 0 346.168 3.156 50 0 EGAARN Cc1ccc(-c2noc(CN(c3ccccc3)S(C)(=O)=O)n2)cc1 ZINC000016527060 453611033 /nfs/dbraw/zinc/61/10/33/453611033.db2.gz SMMYLKDIPRTQAP-UHFFFAOYSA-N 0 0 343.408 3.011 50 0 EGAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C)s1 ZINC000016623619 453616268 /nfs/dbraw/zinc/61/62/68/453616268.db2.gz GYYFQAGWCNBTQA-UHFFFAOYSA-N 0 0 330.434 3.278 50 0 EGAARN COc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2Cl)n1 ZINC000016887243 453623404 /nfs/dbraw/zinc/62/34/04/453623404.db2.gz DUHAOCTXEIYUKI-UHFFFAOYSA-N 0 0 342.182 3.118 50 0 EGAARN CCCCCC(=O)Nn1c(=O)c2c3c(sc2[nH]c1=S)CCC3 ZINC000017070943 453628195 /nfs/dbraw/zinc/62/81/95/453628195.db2.gz HEFWQKHYGZLNGW-UHFFFAOYSA-N 0 0 337.470 3.260 50 0 EGAARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1ccccc1CO ZINC000017111278 453629245 /nfs/dbraw/zinc/62/92/45/453629245.db2.gz OLRUSOMTYBJSNJ-DHDCSXOGSA-N 0 0 328.755 3.089 50 0 EGAARN CN(C)c1ccc(N[C@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000017877547 453638967 /nfs/dbraw/zinc/63/89/67/453638967.db2.gz OBOFNEZLLPMDKU-HNNXBMFYSA-N 0 0 343.814 3.150 50 0 EGAARN COc1ccc(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)cc1 ZINC000018119527 453644409 /nfs/dbraw/zinc/64/44/09/453644409.db2.gz VODBSPIRNSEEST-UHFFFAOYSA-N 0 0 333.351 3.041 50 0 EGAARN O=C(Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccco1 ZINC000018241285 453649996 /nfs/dbraw/zinc/64/99/96/453649996.db2.gz DBYYEBPWKDGJQR-CHWSQXEVSA-N 0 0 339.347 3.178 50 0 EGAARN Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)CN(C)CC5)cc1 ZINC000020565964 453667807 /nfs/dbraw/zinc/66/78/07/453667807.db2.gz QOHLHKNLVLMFRM-UHFFFAOYSA-N 0 0 335.436 3.302 50 0 EGAARN O=C1Nc2ccccc2CC[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020722782 453668481 /nfs/dbraw/zinc/66/84/81/453668481.db2.gz JGHPOIIITMGNLG-OAHLLOKOSA-N 0 0 335.812 3.067 50 0 EGAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 ZINC000027580909 453818990 /nfs/dbraw/zinc/81/89/90/453818990.db2.gz KASCABODVMAOTN-CYBMUJFWSA-N 0 0 340.379 3.040 50 0 EGAARN O=C(COc1ccc(Br)cc1)N1CCOc2ccccc21 ZINC000030578137 453836742 /nfs/dbraw/zinc/83/67/42/453836742.db2.gz PUXAETHMSAXTGI-UHFFFAOYSA-N 0 0 348.196 3.254 50 0 EGAARN O=C(CCSc1ccccc1)NC[C@]1(O)CCc2ccccc21 ZINC000075155679 453866972 /nfs/dbraw/zinc/86/69/72/453866972.db2.gz MVKOMELCRYWNBY-LJQANCHMSA-N 0 0 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/nfs/dbraw/zinc/21/39/54/215213954.db2.gz WILFVOZLOSXLCX-GOSISDBHSA-N 0 0 327.453 3.311 50 0 EGAARN COc1cc(Cl)cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c1 ZINC000067833751 215224797 /nfs/dbraw/zinc/22/47/97/215224797.db2.gz YQYCFVZDGBFUKN-UHFFFAOYSA-N 0 0 345.830 3.493 50 0 EGAARN CC[C@@H]1c2[nH]cnc2CCN1Cc1cnc(NCc2ccccc2)nc1 ZINC000067851038 215232189 /nfs/dbraw/zinc/23/21/89/215232189.db2.gz ZUFYHJWNJQNLBD-GOSISDBHSA-N 0 0 348.454 3.321 50 0 EGAARN CCc1nc(C)sc1CNC(=O)[C@H](C)n1cnc2ccccc21 ZINC000067878049 215237576 /nfs/dbraw/zinc/23/75/76/215237576.db2.gz BOSCQOUZFYSWOU-NSHDSACASA-N 0 0 328.441 3.241 50 0 EGAARN Cc1onc(-c2ccccc2)c1C(=O)N(Cc1nccn1C)C1CC1 ZINC000067880958 215239136 /nfs/dbraw/zinc/23/91/36/215239136.db2.gz FSGARCCPKCHEDZ-UHFFFAOYSA-N 0 0 336.395 3.188 50 0 EGAARN C[C@@H](OC(=O)CCC(=O)Nc1ccccc1)C(=O)c1ccccc1 ZINC000002810537 209921034 /nfs/dbraw/zinc/92/10/34/209921034.db2.gz GEBPISHOZCFECM-CQSZACIVSA-N 0 0 325.364 3.220 50 0 EGAARN CCCCC1=N[C@H]2Sc3c(ncn4nnnc34)[C@H]2C2=C1CCC2 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CCCCN1c2ccccc2[C@](O)([C@@H]2CCc3ccccc3C2=O)C1=O ZINC000002334104 282811604 /nfs/dbraw/zinc/81/16/04/282811604.db2.gz FJGITQPLSUGVSU-GCJKJVERSA-N 0 0 349.430 3.466 50 0 EGAARN CCc1ccc(NC(=O)Cn2c(CC)nc3ccccc3c2=O)cc1 ZINC000040478643 213314489 /nfs/dbraw/zinc/31/44/89/213314489.db2.gz YDEYCOLRFOPBRU-UHFFFAOYSA-N 0 0 335.407 3.160 50 0 EGAARN CCCOC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000001778846 209792723 /nfs/dbraw/zinc/79/27/23/209792723.db2.gz XLXMMOHCOIXAFI-GFCCVEGCSA-N 0 0 330.380 3.311 50 0 EGAARN CCCCn1ccc2c(nnc3c(-c4ccccc4)c(CC)nn32)c1=O ZINC000040388309 213296768 /nfs/dbraw/zinc/29/67/68/213296768.db2.gz ZDUVBNXPVURAFZ-UHFFFAOYSA-N 0 0 347.422 3.469 50 0 EGAARN CCCCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391348 213296928 /nfs/dbraw/zinc/29/69/28/213296928.db2.gz NNAZJCVQFBLLQH-UHFFFAOYSA-N 0 0 337.358 3.045 50 0 EGAARN COc1cc(C[C@H]2C(=O)Nc3cc(Cl)ccc32)cc2c1OCCO2 ZINC000040312411 213290849 /nfs/dbraw/zinc/29/08/49/213290849.db2.gz CELYQBYVUSRCTQ-CYBMUJFWSA-N 0 0 345.782 3.398 50 0 biogenic EGAARN CCCc1nnc(NC(=O)Cn2ccc3cc(OC)ccc32)s1 ZINC000040285087 213287919 /nfs/dbraw/zinc/28/79/19/213287919.db2.gz ZVEGRBLECKIKQS-UHFFFAOYSA-N 0 0 330.413 3.093 50 0 EGAARN O=c1ccc(-c2ccco2)nn1Cc1cccc(Br)c1 ZINC000040286935 213289092 /nfs/dbraw/zinc/28/90/92/213289092.db2.gz ALQPRDDWYONZOL-UHFFFAOYSA-N 0 0 331.169 3.314 50 0 EGAARN COCCNc1nc(C)c(C(=O)NCc2ccccc2Cl)s1 ZINC000040284307 213288067 /nfs/dbraw/zinc/28/80/67/213288067.db2.gz FWRRJECZDKOPEO-UHFFFAOYSA-N 0 0 339.848 3.093 50 0 EGAARN CC(C)Cn1c(CCCNC(=O)c2cccnc2)nc2ccccc21 ZINC000040181402 213280356 /nfs/dbraw/zinc/28/03/56/213280356.db2.gz VVBOWBILXUKKJI-UHFFFAOYSA-N 0 0 336.439 3.450 50 0 EGAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2[nH]cnc21 ZINC000038961761 213230860 /nfs/dbraw/zinc/23/08/60/213230860.db2.gz WNOSWAQZBWMIGM-UHFFFAOYSA-N 0 0 335.364 3.030 50 0 EGAARN COc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c(OC)c1 ZINC000038834673 213227593 /nfs/dbraw/zinc/22/75/93/213227593.db2.gz BWQPTINFLWBFRI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/65/87/00/209658700.db2.gz XWZVGIHYCPSPRP-UHFFFAOYSA-N 0 0 336.391 3.266 50 0 EGAARN COc1ccccc1CCn1cnc2c3cc(C)ccc3[nH]c2c1=O ZINC000000525638 209648013 /nfs/dbraw/zinc/64/80/13/209648013.db2.gz YARDGBASDGAHIX-UHFFFAOYSA-N 0 0 333.391 3.438 50 0 biogenic EGAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000000513617 209642006 /nfs/dbraw/zinc/64/20/06/209642006.db2.gz ADJWQYYWTJKEIY-UHFFFAOYSA-N 0 0 326.396 3.101 50 0 EGAARN Cc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000000501931 209637665 /nfs/dbraw/zinc/63/76/65/209637665.db2.gz LNLJCWHXGBHRPD-UHFFFAOYSA-N 0 0 340.452 3.310 50 0 EGAARN Cc1cc(C)c2c(N)c(C(=O)c3ccc4c(c3)OCO4)sc2n1 ZINC000000491755 209634283 /nfs/dbraw/zinc/63/42/83/209634283.db2.gz BRNZDSJQXFQSTC-UHFFFAOYSA-N 0 0 326.377 3.455 50 0 EGAARN COC(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000000471933 209623886 /nfs/dbraw/zinc/62/38/86/209623886.db2.gz YIMFRJISAIVCGW-UHFFFAOYSA-N 0 0 327.380 3.416 50 0 EGAARN CN1c2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H](O)C1=O ZINC000002040287 283264087 /nfs/dbraw/zinc/26/40/87/283264087.db2.gz FJIKWRGCXUCUIG-OAHLLOKOSA-N 0 0 335.190 3.126 50 0 world EGAARN Cc1noc(C)c1CCC(=O)NCc1cc(-c2cccs2)on1 ZINC000036662413 213108902 /nfs/dbraw/zinc/10/89/02/213108902.db2.gz OXXOFTUPMADCLE-UHFFFAOYSA-N 0 0 331.397 3.257 50 0 EGAARN Cc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)nn1C(C)C ZINC000036615958 213102886 /nfs/dbraw/zinc/10/28/86/213102886.db2.gz JDKQJTKOFJETJQ-UHFFFAOYSA-N 0 0 338.415 3.184 50 0 EGAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCC(C)C)C2)cc1Cl ZINC000036367279 213091779 /nfs/dbraw/zinc/09/17/79/213091779.db2.gz NTJCYSTZXBFEJT-LBPRGKRZSA-N 0 0 338.835 3.182 50 0 EGAARN O=C(Nc1nccs1)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000036365357 213090495 /nfs/dbraw/zinc/09/04/95/213090495.db2.gz PUUSCXQDFWJRJH-UHFFFAOYSA-N 0 0 346.339 3.067 50 0 EGAARN Cc1nn(C)cc1-c1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000036360377 213089458 /nfs/dbraw/zinc/08/94/58/213089458.db2.gz YKMKTYXISCFQQP-UHFFFAOYSA-N 0 0 330.804 3.215 50 0 EGAARN COc1ccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)sc32)cc1 ZINC000036359617 213089523 /nfs/dbraw/zinc/08/95/23/213089523.db2.gz WINDBSWAPNXROW-CYBMUJFWSA-N 0 0 345.424 3.112 50 0 EGAARN CN(Cc1ccccc1)C(=O)c1cc(=O)c(OCc2ccccc2)co1 ZINC000036357098 213088950 /nfs/dbraw/zinc/08/89/50/213088950.db2.gz CBFYQKQJCZZMTD-UHFFFAOYSA-N 0 0 349.386 3.491 50 0 EGAARN O=C(NCc1cccs1)NC[C@H](O)c1cccc2ccccc21 ZINC000070636288 215700928 /nfs/dbraw/zinc/70/09/28/215700928.db2.gz CKOGBENNXYSGCZ-KRWDZBQOSA-N 0 0 326.421 3.434 50 0 EGAARN CCCN1C(=O)[C@@]2(CC(=O)Nc3n[nH]cc32)c2cccc(Cl)c21 ZINC000031807377 283315252 /nfs/dbraw/zinc/31/52/52/283315252.db2.gz DGARHAVNJOUFHK-INIZCTEOSA-N 0 0 330.775 3.098 50 0 EGAARN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccc(F)cc1 ZINC000035682656 213046544 /nfs/dbraw/zinc/04/65/44/213046544.db2.gz HJCAKFCQTXVMTN-MRXNPFEDSA-N 0 0 344.386 3.247 50 0 EGAARN COc1ccc(NC(=O)CCCNC(=O)c2ccc(C)cc2)cc1 ZINC000035673151 213045273 /nfs/dbraw/zinc/04/52/73/213045273.db2.gz UWWYBHZQQULRBU-UHFFFAOYSA-N 0 0 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3.153 50 0 EGAARN CCCCSc1ncc(CN2CCO[C@H](c3cccnc3)C2)cn1 ZINC000097515104 219032554 /nfs/dbraw/zinc/03/25/54/219032554.db2.gz JHNFKAUIJGNRHA-KRWDZBQOSA-N 0 0 344.484 3.337 50 0 EGAARN COCCn1c2cc(C)c(C)cc2s/c1=N/C(=O)c1cc(C)no1 ZINC000101315363 285189549 /nfs/dbraw/zinc/18/95/49/285189549.db2.gz NSABCUNOKDDGDD-ISLYRVAYSA-N 0 0 345.424 3.004 50 0 EGAARN O=c1/c(=C\c2ccccc2)sc2nc(-c3cccc(Cl)c3)nn12 ZINC000000530795 285193041 /nfs/dbraw/zinc/19/30/41/285193041.db2.gz NHJGOBIBGQCNNA-NTEUORMPSA-N 0 0 339.807 3.019 50 0 EGAARN O=C1Nc2cc(F)ccc2[C@@]12CC(=O)Nc1c2cnn1-c1ccccc1 ZINC000020728690 296399725 /nfs/dbraw/zinc/39/97/25/296399725.db2.gz RYLOBUIHSAYPSS-LJQANCHMSA-N 0 0 348.337 3.241 50 0 EGAARN O=C1Nc2ccc(F)cc2[C@@]12CC(=O)Nc1c2cnn1-c1ccccc1 ZINC000020734864 296400096 /nfs/dbraw/zinc/40/00/96/296400096.db2.gz IZERCFAYGBHSJY-LJQANCHMSA-N 0 0 348.337 3.241 50 0 EGAARN Cc1nccc(C2CCN(C(=O)c3ccc4ccn(C)c4c3)CC2)n1 ZINC000426503566 257965697 /nfs/dbraw/zinc/96/56/97/257965697.db2.gz 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/nfs/dbraw/zinc/08/67/27/258086727.db2.gz AUHSCZBDKYYUGS-INIZCTEOSA-N 0 0 341.407 3.188 50 0 EGAARN Cc1nc([C@H](C)NC(=O)CN(C)Cc2ccc(F)cc2)c(C)s1 ZINC000299781088 258090008 /nfs/dbraw/zinc/09/00/08/258090008.db2.gz KNAYBHRATXPBMQ-NSHDSACASA-N 0 0 335.448 3.208 50 0 EGAARN COc1ccccc1-c1ncc(CNC(=O)C[C@H]2CCCOC2)s1 ZINC000299781068 258090225 /nfs/dbraw/zinc/09/02/25/258090225.db2.gz SUEWRTRRQSAOLX-CYBMUJFWSA-N 0 0 346.452 3.252 50 0 EGAARN CCOCCOc1cccc(NC(=O)N2CC(c3ccccn3)C2)c1 ZINC000299783547 258091447 /nfs/dbraw/zinc/09/14/47/258091447.db2.gz VLAYQGBXWAFZLK-UHFFFAOYSA-N 0 0 341.411 3.128 50 0 EGAARN C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2ncc(F)cc2F)cc1 ZINC000299786017 258093111 /nfs/dbraw/zinc/09/31/11/258093111.db2.gz SKUORNDYDNMNMF-KRWDZBQOSA-N 0 0 345.393 3.399 50 0 EGAARN O=C(NCC1=CCCCC1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000299787067 258093367 /nfs/dbraw/zinc/09/33/67/258093367.db2.gz PDRQAICZPMHYRN-GOSISDBHSA-N 0 0 326.440 3.298 50 0 EGAARN Cc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)o1 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CCOC(=O)[C@H]1[C@@H]2CC[C@@H](N(CC(C)C)C(=O)OC(C)(C)C)[C@@H]21 ZINC000299803884 258105955 /nfs/dbraw/zinc/10/59/55/258105955.db2.gz JEUMYXIYWUEOHJ-TUVASFSCSA-N 0 0 325.449 3.467 50 0 EGAARN COc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1 ZINC000169754791 258070757 /nfs/dbraw/zinc/07/07/57/258070757.db2.gz KZOXMFXESBPQOP-UHFFFAOYSA-N 0 0 343.427 3.297 50 0 EGAARN CN(C)C(=O)c1cc2cc(NC(=O)N3CCSCC3)ccc2s1 ZINC000299755926 258074444 /nfs/dbraw/zinc/07/44/44/258074444.db2.gz FEUFWUPHCWKYPO-UHFFFAOYSA-N 0 0 349.481 3.184 50 0 EGAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC1CCCCCC1 ZINC000055062907 132193303 /nfs/dbraw/zinc/19/33/03/132193303.db2.gz BACPIPUCRMNDCD-UHFFFAOYSA-N 0 0 349.906 3.301 50 0 EGAARN Cc1cccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055562757 132195927 /nfs/dbraw/zinc/19/59/27/132195927.db2.gz HUJHFKJLLTWMDJ-UHFFFAOYSA-N 0 0 343.858 3.409 50 0 EGAARN COc1ccccc1N1CCN(C(=O)c2ccc3ccn(C)c3c2)CC1 ZINC000040288041 132399295 /nfs/dbraw/zinc/39/92/95/132399295.db2.gz ZBJUIXDVADYQKD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/67/52/77/135675277.db2.gz QOBIREHTBVEAJT-LBPRGKRZSA-N 0 0 335.810 3.320 50 0 EGAARN O=C1C[C@H](c2ccc(F)cc2)c2sc(N3CCOCC3)nc2N1 ZINC000036354864 296539790 /nfs/dbraw/zinc/53/97/90/296539790.db2.gz GTGJYVATGRYISL-GFCCVEGCSA-N 0 0 333.388 3.242 50 0 EGAARN Cc1ccc([C@H]2OCC3(CO)CO[C@H](c4ccc(C)cc4)N23)cc1 ZINC000019209162 292278517 /nfs/dbraw/zinc/27/85/17/292278517.db2.gz ZTDOUYKICCDXMV-RTBURBONSA-N 0 0 325.408 3.094 50 0 EGAARN O=C(c1ccccc1)N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 ZINC000354739123 166021452 /nfs/dbraw/zinc/02/14/52/166021452.db2.gz VXICLADENSZTPE-FQEVSTJZSA-N 0 0 348.446 3.091 50 0 EGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccccc1 ZINC000000991601 262519001 /nfs/dbraw/zinc/51/90/01/262519001.db2.gz JSQQPPIJDHTZAX-DZGCQCFKSA-N 0 0 344.436 3.288 50 0 EGAARN COc1ccc(OC)c(NC(=O)c2cncc(Br)c2)c1 ZINC000000347901 452568315 /nfs/dbraw/zinc/56/83/15/452568315.db2.gz NHNCCWJFBCZYTR-UHFFFAOYSA-N 0 0 337.173 3.114 50 0 EGAARN COc1ccc(N2Cc3cc(Br)ccc3OCC2=O)cc1 ZINC000065184319 274113251 /nfs/dbraw/zinc/11/32/51/274113251.db2.gz QCHYGQPRZBSQCM-UHFFFAOYSA-N 0 0 348.196 3.383 50 0 EGAARN c1ccc(N2CCN(c3ncnc4c5ccccc5[nH]c43)CC2)cc1 ZINC000000500569 275067688 /nfs/dbraw/zinc/06/76/88/275067688.db2.gz QJWZYKCDRAQMJK-UHFFFAOYSA-N 0 0 329.407 3.438 50 0 EGAARN CCCc1nc(C(=O)N2CCCN3C(=O)c4ccccc4[C@H]32)cs1 ZINC000215730393 276296143 /nfs/dbraw/zinc/29/61/43/276296143.db2.gz OHBUJWDJGNPZMY-MRXNPFEDSA-N 0 0 341.436 3.096 50 0 EGAARN CCOc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=S ZINC000002789864 276499653 /nfs/dbraw/zinc/49/96/53/276499653.db2.gz MMRVYOBMLDARBW-INIZCTEOSA-N 0 0 338.432 3.144 50 0 EGAARN CC[C@@H](C)NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000000107028 276521567 /nfs/dbraw/zinc/52/15/67/276521567.db2.gz NNIIJBBLKLLOQE-FUXBKTLASA-N 0 0 338.713 3.425 50 0 EGAARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000004649130 277022067 /nfs/dbraw/zinc/02/20/67/277022067.db2.gz HKRGOGUFUIWITD-ZROIWOOFSA-N 0 0 338.388 3.020 50 0 EGAARN CN1CC[C@@]2(CCN3CCc4c5ccccc5oc4[C@H]3C2)N(C)C1=O ZINC000002559940 277161412 /nfs/dbraw/zinc/16/14/12/277161412.db2.gz JRDUBBHIPPPSLP-UZLBHIALSA-N 0 0 339.439 3.252 50 0 in-vitro EGAARN CN1CC[C@]2(CCN3CCc4c5ccccc5oc4[C@@H]3C2)N(C)C1=O ZINC000004475284 277186560 /nfs/dbraw/zinc/18/65/60/277186560.db2.gz JRDUBBHIPPPSLP-OXJNMPFZSA-N 0 0 339.439 3.252 50 0 EGAARN CC(C)(C)[S@](=O)N[C@@H]([C@@H]1Cc2ccccc2C1=O)C(F)(F)F ZINC000263620213 277263589 /nfs/dbraw/zinc/26/35/89/277263589.db2.gz ZKZNSCIBDIWDRL-IWGBLYGRSA-N 0 0 333.375 3.024 50 0 EGAARN COc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000004698384 277370321 /nfs/dbraw/zinc/37/03/21/277370321.db2.gz XEIIGUWVHKMGAN-UHFFFAOYSA-N 0 0 345.439 3.267 50 0 EGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2ccsc2)nn1 ZINC000032092877 277398310 /nfs/dbraw/zinc/39/83/10/277398310.db2.gz AODFNCXCKAESCD-NSHDSACASA-N 0 0 341.396 3.164 50 0 EGAARN COc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)c1 ZINC000013131846 278022338 /nfs/dbraw/zinc/02/23/38/278022338.db2.gz JITIYKVPTGBVMR-JKSUJKDBSA-N 0 0 339.374 3.154 50 0 aggregator EGAARN CC(C)c1nccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)n1 ZINC000065394789 278081018 /nfs/dbraw/zinc/08/10/18/278081018.db2.gz HUFIXUQAAIBTJF-CYBMUJFWSA-N 0 0 333.395 3.464 50 0 EGAARN CSc1nnc2c(n1)O[C@@H](c1cccn1C)Nc1ccccc1-2 ZINC000005659922 278181101 /nfs/dbraw/zinc/18/11/01/278181101.db2.gz AWHTXBIXTDLRKN-AWEZNQCLSA-N 0 0 325.397 3.102 50 0 EGAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 ZINC000169683266 278225372 /nfs/dbraw/zinc/22/53/72/278225372.db2.gz VRYIVWIJBOQOBG-ZRNYENFQSA-N 0 0 330.424 3.028 50 0 EGAARN CCOCC(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 ZINC000009134688 279674590 /nfs/dbraw/zinc/67/45/90/279674590.db2.gz CFGGTQAQVKOIAA-UHFFFAOYSA-N 0 0 340.379 3.434 50 0 EGAARN C[C@H]1CCc2c(sc3nnn(Cc4ccc(F)cc4)c(=O)c23)C1 ZINC000000148760 279769142 /nfs/dbraw/zinc/76/91/42/279769142.db2.gz MFJYAONBFDVTNR-JTQLQIEISA-N 0 0 329.400 3.165 50 0 EGAARN CCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3cccc(C)c32)cc1 ZINC000100485541 279955341 /nfs/dbraw/zinc/95/53/41/279955341.db2.gz JCCXGZMSXLXMLR-SFHVURJKSA-N 0 0 338.407 3.118 50 0 EGAARN CC(C)n1ncc2c1NC(=O)C[C@]21c2cc(Cl)ccc2N(C)C1=O ZINC000072405128 280793437 /nfs/dbraw/zinc/79/34/37/280793437.db2.gz IXQPZWMQEPMZGL-KRWDZBQOSA-N 0 0 344.802 3.372 50 0 EGAARN Cc1cccc(CN2CCC[C@@]3(CCN(c4ccccn4)C3)C2=O)c1 ZINC000011999688 281216161 /nfs/dbraw/zinc/21/61/61/281216161.db2.gz YJGDFKGCBXFPQB-NRFANRHFSA-N 0 0 335.451 3.409 50 0 EGAARN Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C(=O)C[C@H]3c3ccccc32)c1C ZINC000004199694 281223938 /nfs/dbraw/zinc/22/39/38/281223938.db2.gz SUWXMHOTEFADIE-KNTRFNDTSA-N 0 0 345.398 3.263 50 0 EGAARN CCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(C)ccc21 ZINC000004193358 281629144 /nfs/dbraw/zinc/62/91/44/281629144.db2.gz ULGFVUINNFHTBU-UHFFFAOYSA-N 0 0 345.395 3.302 50 0 EGAARN CN(C(=O)CN1CCCCC1)C(C)(C)C(=O)c1ccccc1Cl ZINC000000395796 281727268 /nfs/dbraw/zinc/72/72/68/281727268.db2.gz 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COc1ccc(NC(=O)C[S@@](=O)Cc2ccc(Cl)cc2)cc1 ZINC000005210757 452847711 /nfs/dbraw/zinc/84/77/11/452847711.db2.gz LFWKZNBFIQYEDI-JOCHJYFZSA-N 0 0 337.828 3.236 50 0 EGAARN Cc1ccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000005250660 452852137 /nfs/dbraw/zinc/85/21/37/452852137.db2.gz XLJXXISPELUELL-UHFFFAOYSA-N 0 0 344.436 3.177 50 0 EGAARN COc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1 ZINC000005440331 452873889 /nfs/dbraw/zinc/87/38/89/452873889.db2.gz MPWXAYMHVUDTHW-UHFFFAOYSA-N 0 0 340.379 3.083 50 0 EGAARN CCc1cccc(CC)c1NC(=O)Cn1ncc2ccccc2c1=O ZINC000005453184 452875234 /nfs/dbraw/zinc/87/52/34/452875234.db2.gz XURSSCOHGYAPHY-UHFFFAOYSA-N 0 0 335.407 3.160 50 0 EGAARN O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc2ccccc2c1 ZINC000005451741 452875503 /nfs/dbraw/zinc/87/55/03/452875503.db2.gz NQOXEPHVNQGVAK-HXUWFJFHSA-N 0 0 335.334 3.392 50 0 EGAARN Cc1cc2nc(-c3ccc(NC(=O)c4nc[nH]n4)cc3)oc2cc1C ZINC000005489021 452878422 /nfs/dbraw/zinc/87/84/22/452878422.db2.gz HVFLIEIZKHPXJZ-UHFFFAOYSA-N 0 0 333.351 3.482 50 0 EGAARN CCOC(=O)[C@@H](C)Oc1c(OC)ccc2c3c(c(=O)oc21)CCCC3 ZINC000005547416 452882491 /nfs/dbraw/zinc/88/24/91/452882491.db2.gz DIAFGTGVXMPCDD-LLVKDONJSA-N 0 0 346.379 3.011 50 0 EGAARN COC(=O)[C@@H](C)Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000005729970 452899047 /nfs/dbraw/zinc/89/90/47/452899047.db2.gz RZWLAEPYQHSUFO-LLVKDONJSA-N 0 0 340.331 3.106 50 0 biogenic EGAARN O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1ccncc1 ZINC000005813566 452904248 /nfs/dbraw/zinc/90/42/48/452904248.db2.gz ICBHIVOECRZCMA-UHFFFAOYSA-N 0 0 344.773 3.381 50 0 EGAARN C[C@H]1CCc2c(c3ccccc3n2C(=O)CSc2nc[nH]n2)C1 ZINC000005954816 452912280 /nfs/dbraw/zinc/91/22/80/452912280.db2.gz KVEDFINWSMXWRI-NSHDSACASA-N 0 0 326.425 3.317 50 0 EGAARN CC1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000006202753 452924340 /nfs/dbraw/zinc/92/43/40/452924340.db2.gz BTIYWUAEYMFGAV-UHFFFAOYSA-N 0 0 329.213 3.259 50 0 EGAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1cc(C)cc(C)n1 ZINC000006400069 452940523 /nfs/dbraw/zinc/94/05/23/452940523.db2.gz XBRNPVOINQELMO-JTQLQIEISA-N 0 0 340.349 3.497 50 0 EGAARN CCc1ccc(NC(=S)N2CCN(c3ccccc3O)CC2)cc1 ZINC000006394706 452940705 /nfs/dbraw/zinc/94/07/05/452940705.db2.gz ZUGJQMTXZHVAPU-UHFFFAOYSA-N 0 0 341.480 3.474 50 0 EGAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(C=O)cc1 ZINC000006408072 452943200 /nfs/dbraw/zinc/94/32/00/452943200.db2.gz DFFKSOIOMBJHCH-UHFFFAOYSA-N 0 0 325.364 3.165 50 0 EGAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000006606720 452958520 /nfs/dbraw/zinc/95/85/20/452958520.db2.gz HEAHYJZZGWKFGZ-UHFFFAOYSA-N 0 0 347.296 3.054 50 0 EGAARN O=C(OC[C@@H]1COc2ccccc2O1)c1ccc(Br)o1 ZINC000006668779 452966626 /nfs/dbraw/zinc/96/66/26/452966626.db2.gz NEAJZSPWCFJVAU-VIFPVBQESA-N 0 0 339.141 3.039 50 0 EGAARN Fc1ccc(-c2cc(-c3nnc4c5ccccc5ncn34)n[nH]2)cc1 ZINC000006667806 452967307 /nfs/dbraw/zinc/96/73/07/452967307.db2.gz MNTXZLJPMMGRBT-UHFFFAOYSA-N 0 0 330.326 3.474 50 0 EGAARN CN[C@@H](c1cc2ccccc2[nH]1)c1nnnn1-c1ccc(Cl)cc1 ZINC000006667854 452967353 /nfs/dbraw/zinc/96/73/53/452967353.db2.gz ZEJYLLOHTVSBTK-INIZCTEOSA-N 0 0 338.802 3.106 50 0 EGAARN COc1nc2ccccc2nc1CCC(=O)NC1CCCCCC1 ZINC000006701734 452972381 /nfs/dbraw/zinc/97/23/81/452972381.db2.gz GCAQVJVGEIKVHL-UHFFFAOYSA-N 0 0 327.428 3.410 50 0 EGAARN O=C(Nc1nnc(CSCc2ccccc2)s1)[C@H]1CCCO1 ZINC000006704819 452973401 /nfs/dbraw/zinc/97/34/01/452973401.db2.gz CCBFOTLTOHTXMS-GFCCVEGCSA-N 0 0 335.454 3.089 50 0 EGAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)CSCc2cccc(C)c2)N1 ZINC000006789170 452988043 /nfs/dbraw/zinc/98/80/43/452988043.db2.gz ILLLYISONBMZFH-AWEZNQCLSA-N 0 0 346.374 3.087 50 0 EGAARN CCc1ccccc1-n1nnc(-c2nc(-c3cccs3)no2)c1N ZINC000006868307 452999941 /nfs/dbraw/zinc/99/99/41/452999941.db2.gz KLSYAMUEXRFEIA-UHFFFAOYSA-N 0 0 338.396 3.190 50 0 EGAARN CCCc1nnc2n1N=C(c1ccc(Br)cc1)CS2 ZINC000006891269 453004398 /nfs/dbraw/zinc/00/43/98/453004398.db2.gz NWOPWQOVTACGQE-UHFFFAOYSA-N 0 0 337.246 3.351 50 0 EGAARN O=C(c1cccc(-n2cccc2)c1)N1CCN(c2ccccc2)CC1 ZINC000007367740 453066765 /nfs/dbraw/zinc/06/67/65/453066765.db2.gz JZENFTCGDSMGOR-UHFFFAOYSA-N 0 0 331.419 3.440 50 0 EGAARN CCOc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F ZINC000007616212 453093526 /nfs/dbraw/zinc/09/35/26/453093526.db2.gz BFEVMJDXCKKODC-UHFFFAOYSA-N 0 0 327.421 3.393 50 0 EGAARN COc1ccc(OCC(=O)Nc2ccnn2Cc2cccs2)cc1 ZINC000007793918 453116233 /nfs/dbraw/zinc/11/62/33/453116233.db2.gz NBYNXTSPZPGZRC-UHFFFAOYSA-N 0 0 343.408 3.019 50 0 EGAARN COCc1nnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 ZINC000007996135 453146718 /nfs/dbraw/zinc/14/67/18/453146718.db2.gz OHRQSVNQSSVFNH-UHFFFAOYSA-N 0 0 346.437 3.369 50 0 EGAARN Cc1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000008404103 453200551 /nfs/dbraw/zinc/20/05/51/453200551.db2.gz ZGJQDPAFLCDSTQ-UHFFFAOYSA-N 0 0 335.407 3.026 50 0 EGAARN CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1 ZINC000008579640 453216830 /nfs/dbraw/zinc/21/68/30/453216830.db2.gz HXEITUCGWRCNCS-UHFFFAOYSA-N 0 0 335.407 3.366 50 0 EGAARN Cc1cc(C)cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000008673245 453222465 /nfs/dbraw/zinc/22/24/65/453222465.db2.gz BGCWBJLOJAKGNZ-UHFFFAOYSA-N 0 0 344.436 3.096 50 0 EGAARN CCOc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 ZINC000008729523 453229198 /nfs/dbraw/zinc/22/91/98/453229198.db2.gz JWYYBUZLIFFDQN-UHFFFAOYSA-N 0 0 347.216 3.472 50 0 EGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)NCc2ccco2)CC1 ZINC000008747027 453232584 /nfs/dbraw/zinc/23/25/84/453232584.db2.gz XBNPWTFGYAKPGG-UHFFFAOYSA-N 0 0 333.819 3.273 50 0 EGAARN O=C(Nc1ccccc1F)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000009528868 453255470 /nfs/dbraw/zinc/25/54/70/453255470.db2.gz URRDWSDAIJUEGV-UHFFFAOYSA-N 0 0 343.383 3.026 50 0 EGAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(F)cc1 ZINC000009659395 453257218 /nfs/dbraw/zinc/25/72/18/453257218.db2.gz ADWIWTCKGIPGLV-UHFFFAOYSA-N 0 0 345.355 3.309 50 0 EGAARN CCN1C(=O)CCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 ZINC000009827707 453263181 /nfs/dbraw/zinc/26/31/81/453263181.db2.gz WBRGDKZFWNSKKT-UHFFFAOYSA-N 0 0 342.370 3.142 50 0 EGAARN O=C(CSc1cc(-c2ccccc2)ncn1)NCc1ccco1 ZINC000011903047 453338434 /nfs/dbraw/zinc/33/84/34/453338434.db2.gz FZRHRZFZZVTFAF-UHFFFAOYSA-N 0 0 325.393 3.145 50 0 EGAARN COc1ccc(OCC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000012195982 453349048 /nfs/dbraw/zinc/34/90/48/453349048.db2.gz ADQDKRUONYTSCE-UHFFFAOYSA-N 0 0 338.407 3.489 50 0 EGAARN Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000012554016 453374137 /nfs/dbraw/zinc/37/41/37/453374137.db2.gz JBUXMZVRZIJNLA-LBPRGKRZSA-N 0 0 329.787 3.035 50 0 EGAARN CO[C@H]1CCCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000012586692 453378446 /nfs/dbraw/zinc/37/84/46/453378446.db2.gz ANNOKJUWHYLMPI-ZDUSSCGKSA-N 0 0 338.333 3.173 50 0 EGAARN CC(C)(C)NC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000012702726 453393625 /nfs/dbraw/zinc/39/36/25/453393625.db2.gz VBMVVGQORCZHLV-MRXNPFEDSA-N 0 0 339.439 3.038 50 0 EGAARN Cc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4)cc3)nn12 ZINC000012854461 453416113 /nfs/dbraw/zinc/41/61/13/453416113.db2.gz XEDLABCHYSCWHC-UHFFFAOYSA-N 0 0 349.419 3.091 50 0 EGAARN COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)Nc3nc(N)nn32)cc1 ZINC000013127561 453446690 /nfs/dbraw/zinc/44/66/90/453446690.db2.gz QAHYBUAUOGBQMQ-DLBZAZTESA-N 0 0 335.411 3.324 50 0 EGAARN COC(=O)CNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 ZINC000013153717 453449225 /nfs/dbraw/zinc/44/92/25/453449225.db2.gz GBJYUAGQFXTOIJ-XBLGPDGASA-N 0 0 341.451 3.122 50 0 EGAARN COc1cccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000013324875 453457388 /nfs/dbraw/zinc/45/73/88/453457388.db2.gz VEXHOGAXOAQUIJ-UHFFFAOYSA-N 0 0 341.411 3.171 50 0 EGAARN Cc1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000013331797 453459468 /nfs/dbraw/zinc/45/94/68/453459468.db2.gz GLXGPWFSQXHDFE-UHFFFAOYSA-N 0 0 340.210 3.252 50 0 EGAARN C[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1cccc(Cl)c1 ZINC000013548330 453470832 /nfs/dbraw/zinc/47/08/32/453470832.db2.gz JSUTVZSFIHWLQH-QMMMGPOBSA-N 0 0 333.804 3.126 50 0 EGAARN CC[C@@H](C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)OC ZINC000013574142 453472422 /nfs/dbraw/zinc/47/24/22/453472422.db2.gz USWYFUBNDAHHJD-BXKDBHETSA-N 0 0 332.322 3.415 50 0 EGAARN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000013628499 453476717 /nfs/dbraw/zinc/47/67/17/453476717.db2.gz WUFGADIPJBHLDE-UHFFFAOYSA-N 0 0 327.771 3.076 50 0 EGAARN COc1cc(OC)c(NC(=O)Cc2csc(C)n2)cc1Cl ZINC000013691218 453481544 /nfs/dbraw/zinc/48/15/44/453481544.db2.gz XVSDGZHQYCYQQS-UHFFFAOYSA-N 0 0 326.805 3.303 50 0 EGAARN CC(C)(C)OC(=O)NCC1CCC(C(=O)NCc2cccnc2)CC1 ZINC000013727096 453483601 /nfs/dbraw/zinc/48/36/01/453483601.db2.gz XXRMHIRPGKRWKB-UHFFFAOYSA-N 0 0 347.459 3.029 50 0 EGAARN Cc1cc(OC(C)(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1Cl ZINC000013745184 453486424 /nfs/dbraw/zinc/48/64/24/453486424.db2.gz GSYMDBWDJPZCNC-WFASDCNBSA-N 0 0 325.836 3.490 50 0 EGAARN COc1ccc(/C=C/C(=O)N2CCN=C2c2ccccc2)cc1OC ZINC000013892782 453490536 /nfs/dbraw/zinc/49/05/36/453490536.db2.gz RVZJAEQSEPMQNI-PKNBQFBNSA-N 0 0 336.391 3.006 50 0 biogenic EGAARN Cc1ccc(/C=C(\C(=O)N2CCC(C)CC2)n2ccccc2=O)cc1 ZINC000013899421 453491504 /nfs/dbraw/zinc/49/15/04/453491504.db2.gz IGNIHLJHJGHHLA-XDJHFCHBSA-N 0 0 336.435 3.413 50 0 EGAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)c1ccc2c(c1)OCO2 ZINC000013865220 453491521 /nfs/dbraw/zinc/49/15/21/453491521.db2.gz WURLAQGXVCWZDG-UHFFFAOYSA-N 0 0 347.783 3.315 50 0 EGAARN COC(=O)Cn1cc(C=C2SC(=S)NC2=O)c2ccccc21 ZINC000013809774 453491909 /nfs/dbraw/zinc/49/19/09/453491909.db2.gz PYRGNIQQCRSABI-SDQBBNPISA-N 0 0 332.406 3.143 50 0 EGAARN NC(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000014198501 453517789 /nfs/dbraw/zinc/51/77/89/453517789.db2.gz QJWIOQXJQDYHBJ-UHFFFAOYSA-N 0 0 346.390 3.101 50 0 EGAARN CCn1nc(C)c(CN2CC(=O)N(c3ccccc3C)[C@H](C)C2)c1C ZINC000015007253 453550419 /nfs/dbraw/zinc/55/04/19/453550419.db2.gz FKSXANQTOBMSTI-OAHLLOKOSA-N 0 0 340.471 3.066 50 0 EGAARN CSc1ccccc1N1C(=O)CN(Cc2cccc(C)n2)C[C@H]1C ZINC000014985532 453550683 /nfs/dbraw/zinc/55/06/83/453550683.db2.gz FIPSHQJPJPEDRZ-OAHLLOKOSA-N 0 0 341.480 3.349 50 0 EGAARN COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)[nH]2)o1 ZINC000015019369 453551680 /nfs/dbraw/zinc/55/16/80/453551680.db2.gz XEWDECDHQIRRBR-UHFFFAOYSA-N 0 0 329.381 3.067 50 0 EGAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3)o2)C1 ZINC000015019323 453552121 /nfs/dbraw/zinc/55/21/21/453552121.db2.gz DRUTVPKQCUPGHT-BETUJISGSA-N 0 0 331.441 3.333 50 0 EGAARN CSCCNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000015074575 453554383 /nfs/dbraw/zinc/55/43/83/453554383.db2.gz SUTYTZAUCWIOCF-MRXNPFEDSA-N 0 0 343.448 3.417 50 0 EGAARN Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)N[C@@H]1CCOC1=O ZINC000015108366 453557982 /nfs/dbraw/zinc/55/79/82/453557982.db2.gz MJMMCFRFFSRJFG-LUCWBJGKSA-N 0 0 343.423 3.101 50 0 EGAARN CCCCOc1ccccc1OCCSc1nc(C)cc(=O)[nH]1 ZINC000016381591 453604431 /nfs/dbraw/zinc/60/44/31/453604431.db2.gz WRYWGHHTZUUSLI-UHFFFAOYSA-N 0 0 334.441 3.428 50 0 EGAARN O=C(Cc1noc(Cc2ccc(F)cc2)n1)Nc1ccccc1F ZINC000016578171 453611449 /nfs/dbraw/zinc/61/14/49/453611449.db2.gz YNDVPEGKYGZDEF-UHFFFAOYSA-N 0 0 329.306 3.120 50 0 EGAARN C[C@@H]1CCc2sc(C(=O)N3CCN(Cc4ccco4)CC3)cc2C1 ZINC000016580322 453611945 /nfs/dbraw/zinc/61/19/45/453611945.db2.gz BIRLYVPXTRSHNF-CQSZACIVSA-N 0 0 344.480 3.424 50 0 EGAARN CCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 ZINC000016580178 453612476 /nfs/dbraw/zinc/61/24/76/453612476.db2.gz LQXUWMMPZQNSSW-UHFFFAOYSA-N 0 0 347.440 3.194 50 0 EGAARN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000016602896 453614509 /nfs/dbraw/zinc/61/45/09/453614509.db2.gz HKVFTEFXYNHPIE-SFHVURJKSA-N 0 0 342.439 3.090 50 0 EGAARN CC[C@H](C)NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O ZINC000016650234 453618335 /nfs/dbraw/zinc/61/83/35/453618335.db2.gz UCZBPVDGFHAKLD-LBPRGKRZSA-N 0 0 341.436 3.260 50 0 EGAARN CC(C)CNC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000016837688 453623224 /nfs/dbraw/zinc/62/32/24/453623224.db2.gz YUBDTQJZYSPQPZ-UHFFFAOYSA-N 0 0 332.429 3.102 50 0 EGAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(C)CC4)cc1 ZINC000017179603 453630966 /nfs/dbraw/zinc/63/09/66/453630966.db2.gz VKEOWAGWISLYCW-UHFFFAOYSA-N 0 0 343.477 3.406 50 0 EGAARN CCc1ccccc1N1C[C@H](C(=O)N2C[C@H](C)C[C@H](C)C2)CC1=O ZINC000018033246 453641245 /nfs/dbraw/zinc/64/12/45/453641245.db2.gz BJVVCCYSBZFUDB-HLLBOEOZSA-N 0 0 328.456 3.106 50 0 EGAARN Cc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)c(C)c1 ZINC000018142490 453644893 /nfs/dbraw/zinc/64/48/93/453644893.db2.gz YGKCKCPMYRDCTH-UHFFFAOYSA-N 0 0 326.469 3.217 50 0 EGAARN CC(C)NC(=O)c1ccc2c(c1)nc1n2CCN(c2ccccc2)C1 ZINC000020716199 453668347 /nfs/dbraw/zinc/66/83/47/453668347.db2.gz RZABKCBFWALJOR-UHFFFAOYSA-N 0 0 334.423 3.195 50 0 EGAARN Cc1nc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)sc1C ZINC000020727163 453668695 /nfs/dbraw/zinc/66/86/95/453668695.db2.gz JXLWSSLBJAZABO-HOCLYGCPSA-N 0 0 343.452 3.308 50 0 EGAARN CC(=O)OCc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000023280212 453708121 /nfs/dbraw/zinc/70/81/21/453708121.db2.gz XITAXGWEABWWIX-UHFFFAOYSA-N 0 0 348.830 3.318 50 0 EGAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000024958202 453752523 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339.395 3.304 50 0 EGAARN Cc1nn(C)cc1-c1ccnc(NCc2c(F)ccc(F)c2F)n1 ZINC000048307217 454470840 /nfs/dbraw/zinc/47/08/40/454470840.db2.gz WGUFJJKGIVJINZ-UHFFFAOYSA-N 0 0 333.317 3.215 50 0 EGAARN CC[C@H](C(=O)N1CCCN(c2nccs2)CC1)c1ccccc1 ZINC000064751007 454502084 /nfs/dbraw/zinc/50/20/84/454502084.db2.gz HABSEWAHLXQJQS-INIZCTEOSA-N 0 0 329.469 3.376 50 0 EGAARN CCCc1nc(-n2cccc2)sc1C(=O)NCc1ccncc1 ZINC000049006262 454527943 /nfs/dbraw/zinc/52/79/43/454527943.db2.gz SSMCBORKDVLTKA-UHFFFAOYSA-N 0 0 326.425 3.211 50 0 EGAARN Cc1ccc([C@H](O)CNC(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000049026971 454528459 /nfs/dbraw/zinc/52/84/59/454528459.db2.gz YJSQEVOMSYTYFT-GFCCVEGCSA-N 0 0 328.290 3.462 50 0 EGAARN Cc1cc(OCC(=O)Nc2ccccc2)nc(N2CCC[C@@H](C)C2)n1 ZINC000065101732 454529495 /nfs/dbraw/zinc/52/94/95/454529495.db2.gz MPHSBMFPXVEDDU-CQSZACIVSA-N 0 0 340.427 3.039 50 0 EGAARN COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)cc1OC ZINC000065331118 454553370 /nfs/dbraw/zinc/55/33/70/454553370.db2.gz HKFNRZGRYHLAJT-HNNXBMFYSA-N 0 0 349.390 3.364 50 0 EGAARN Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c(C)c1 ZINC000065365160 454554021 /nfs/dbraw/zinc/55/40/21/454554021.db2.gz BIVZMELJWHVJAM-UHFFFAOYSA-N 0 0 346.452 3.260 50 0 EGAARN COc1ccccc1-n1nc(C2CC2)nc1CNC(=O)c1ccccc1 ZINC000065373716 454554571 /nfs/dbraw/zinc/55/45/71/454554571.db2.gz NWBOKXAVHCMVGT-UHFFFAOYSA-N 0 0 348.406 3.083 50 0 EGAARN Cc1sc2ncnc(NCc3nnc(-c4ccncc4)[nH]3)c2c1C ZINC000065372281 454554774 /nfs/dbraw/zinc/55/47/74/454554774.db2.gz ANSITCQBOCVMMU-UHFFFAOYSA-N 0 0 337.412 3.100 50 0 EGAARN CCCn1nc(C)c(CNC(=O)[C@H](C)n2cnc3ccccc32)c1C ZINC000065383598 454557321 /nfs/dbraw/zinc/55/73/21/454557321.db2.gz KSTNZCWRCDEDSY-HNNXBMFYSA-N 0 0 339.443 3.137 50 0 EGAARN Cc1cccc([C@H](C(=O)N(Cc2cncs2)C2CC2)N(C)C)c1 ZINC000065398145 454560507 /nfs/dbraw/zinc/56/05/07/454560507.db2.gz FSHVFERXTHSILC-QGZVFWFLSA-N 0 0 329.469 3.245 50 0 EGAARN COc1nc(C)cc(C)c1CN[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065405198 454561963 /nfs/dbraw/zinc/56/19/63/454561963.db2.gz PXCAZEPITDKMNV-HNNXBMFYSA-N 0 0 327.428 3.132 50 0 EGAARN Cc1nnc([C@H](C)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)[nH]1 ZINC000065451170 454569836 /nfs/dbraw/zinc/56/98/36/454569836.db2.gz BYASAQGGPHOIIC-JTQLQIEISA-N 0 0 325.368 3.157 50 0 EGAARN O=C(NCC1=CCCN(Cc2ccc(Cl)nc2)C1)c1cccs1 ZINC000065461253 454570721 /nfs/dbraw/zinc/57/07/21/454570721.db2.gz MEUCSAQRYGEREW-UHFFFAOYSA-N 0 0 347.871 3.359 50 0 EGAARN CC(C)c1cc([C@@H]2CC(=O)Nc3c2c(-c2cccnc2)nn3C)on1 ZINC000065456067 454570922 /nfs/dbraw/zinc/57/09/22/454570922.db2.gz BSEWWCYEFDDIFM-LBPRGKRZSA-N 0 0 337.383 3.068 50 0 EGAARN CCn1ncnc1[C@H](Nc1ncnc2sc(C)c(C)c21)C1CC1 ZINC000065490113 454576434 /nfs/dbraw/zinc/57/64/34/454576434.db2.gz QREVJJSPJZMHTO-CYBMUJFWSA-N 0 0 328.445 3.483 50 0 EGAARN COc1ccc(C)cc1C(=O)N1CC[C@@H](c2sccc2C)[C@H](O)C1 ZINC000065503195 454579748 /nfs/dbraw/zinc/57/97/48/454579748.db2.gz VCDZOGXJGNDDRW-GDBMZVCRSA-N 0 0 345.464 3.364 50 0 EGAARN O=C(NC[C@H](O)Cc1ccccc1)c1ccccc1SC(F)F ZINC000104916131 454611325 /nfs/dbraw/zinc/61/13/25/454611325.db2.gz HSFPGFJYBXPZEW-CYBMUJFWSA-N 0 0 337.391 3.335 50 0 EGAARN COc1ccc(OC)c(CN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)C2CC2)c1 ZINC000135479716 454682742 /nfs/dbraw/zinc/68/27/42/454682742.db2.gz OYXWGQIRTOFPFL-UGSOOPFHSA-N 0 0 345.439 3.200 50 0 EGAARN Cc1noc2nc(C)nc(N3CCN(c4ccccc4C)C[C@@H]3C)c12 ZINC000107103335 454741758 /nfs/dbraw/zinc/74/17/58/454741758.db2.gz BMVQFLMXPWTDPC-ZDUSSCGKSA-N 0 0 337.427 3.258 50 0 EGAARN CCc1ccc(NC(=O)C[C@H]2Cn3c4ccccc4nc3NC2=O)cc1 ZINC000169681462 454930568 /nfs/dbraw/zinc/93/05/68/454930568.db2.gz YMUWCYYCWGEDNO-AWEZNQCLSA-N 0 0 348.406 3.196 50 0 EGAARN CCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)cc(F)c1)CCCC2 ZINC000169759493 454931337 /nfs/dbraw/zinc/93/13/37/454931337.db2.gz SGGQMAKZGHGTLI-UHFFFAOYSA-N 0 0 348.349 3.114 50 0 EGAARN COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)n(C)n2)cc1 ZINC000170622239 454944137 /nfs/dbraw/zinc/94/41/37/454944137.db2.gz RHOBYICKGZAOEM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/05/28/74/456052874.db2.gz DQBLKJUWNPUXPI-SFHVURJKSA-N 0 0 331.437 3.185 50 0 EGAARN CO[C@@H]1CCOC[C@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000223223563 456055453 /nfs/dbraw/zinc/05/54/53/456055453.db2.gz SGRMMLDJUFWFBX-WOJBJXKFSA-N 0 0 339.435 3.129 50 0 EGAARN COC[C@@H]1[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCO[C@H]12 ZINC000223413336 456055912 /nfs/dbraw/zinc/05/59/12/456055912.db2.gz QBHZGDOVVZTZGF-QCMRWSPLSA-N 0 0 336.741 3.216 50 0 EGAARN O=C(Cc1ccc(F)cc1)Nc1cnc2cc(C(F)(F)F)nn2c1 ZINC000225571521 456094854 /nfs/dbraw/zinc/09/48/54/456094854.db2.gz OIPDHMGBLVALCU-UHFFFAOYSA-N 0 0 338.264 3.068 50 0 EGAARN C[C@@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cccc(Cl)c1 ZINC000225608532 456097707 /nfs/dbraw/zinc/09/77/07/456097707.db2.gz IBSKRPZPOCVRNB-CXAGYDPISA-N 0 0 333.815 3.347 50 0 EGAARN O=C(NCc1cccnc1-c1ccco1)c1cnc2ccccc2n1 ZINC000225659863 456101565 /nfs/dbraw/zinc/10/15/65/456101565.db2.gz JRZRSGLINKHPBP-UHFFFAOYSA-N 0 0 330.347 3.215 50 0 EGAARN CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)n(C)n1 ZINC000263585952 456178506 /nfs/dbraw/zinc/17/85/06/456178506.db2.gz ODXUMXOUERNXTJ-QGZVFWFLSA-N 0 0 326.444 3.381 50 0 biogenic EGAARN CC[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)c1cccs1 ZINC000340185605 456298589 /nfs/dbraw/zinc/29/85/89/456298589.db2.gz TZKMBWWWHMWLPU-OAHLLOKOSA-N 0 0 336.482 3.092 50 0 EGAARN COc1cc(C(=O)Cc2nc3ccccc3o2)cc(OC)c1OC ZINC000323928955 456659325 /nfs/dbraw/zinc/65/93/25/456659325.db2.gz YJAYJMZXVKRUSF-UHFFFAOYSA-N 0 0 327.336 3.279 50 0 EGAARN COC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)nc1C ZINC000299763437 456778216 /nfs/dbraw/zinc/77/82/16/456778216.db2.gz WMJKTWVCIXTWOZ-CQSZACIVSA-N 0 0 334.807 3.290 50 0 EGAARN O=C(C[C@@H]1CCCOC1)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000299764465 456779844 /nfs/dbraw/zinc/77/98/44/456779844.db2.gz GZTHOVSSARWIDB-LBPRGKRZSA-N 0 0 333.819 3.163 50 0 EGAARN CCn1ccnc1CN(C)C(=O)c1cccc(-c2nc(C)cc(C)n2)c1 ZINC000299764313 456780567 /nfs/dbraw/zinc/78/05/67/456780567.db2.gz ZKRVJCGVCXTAFV-UHFFFAOYSA-N 0 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O=C(Nc1ccnn1C1CCCC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000095523969 218428377 /nfs/dbraw/zinc/42/83/77/218428377.db2.gz IASXXXQEHHYKOX-ZDUSSCGKSA-N 0 0 328.420 3.133 50 0 EGAARN O=C1COc2ccc(Br)cc2CN1Cc1cccs1 ZINC000065184442 284830817 /nfs/dbraw/zinc/83/08/17/284830817.db2.gz RHWAUINJJUYIEV-UHFFFAOYSA-N 0 0 338.226 3.432 50 0 EGAARN Cc1ccc(C)c(Cn2cc(C(=O)Nc3cccc(C)n3)ccc2=O)c1 ZINC000007570645 210815302 /nfs/dbraw/zinc/81/53/02/210815302.db2.gz HXIKILDSFBPPSF-UHFFFAOYSA-N 0 0 347.418 3.469 50 0 EGAARN CCOc1ccccc1NC(=O)COC(=O)Cc1ccc(C)cc1 ZINC000007069537 210755691 /nfs/dbraw/zinc/75/56/91/210755691.db2.gz WPSPPUXRRCTDQM-UHFFFAOYSA-N 0 0 327.380 3.118 50 0 EGAARN CSCCCNC(=O)Nc1ccc(F)c(NC(=O)C(C)C)c1 ZINC000096150179 218627447 /nfs/dbraw/zinc/62/74/47/218627447.db2.gz QTQTXTBOJMPRGL-UHFFFAOYSA-N 0 0 327.425 3.295 50 0 EGAARN CC(=O)c1cccc(NC(=O)[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000006738422 210695772 /nfs/dbraw/zinc/69/57/72/210695772.db2.gz MVFXATLIRWJQGJ-KRWDZBQOSA-N 0 0 326.327 3.160 50 0 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/nfs/dbraw/zinc/00/98/96/219009896.db2.gz XRBUZEHWGLVCMP-UHFFFAOYSA-N 0 0 342.508 3.219 50 0 EGAARN Cc1ccc2cc(CCNC(=O)/C=C\c3ccccc3)c(=O)[nH]c2c1 ZINC000004873505 210309475 /nfs/dbraw/zinc/30/94/75/210309475.db2.gz CVVNUARSKLTLRR-NTMALXAHSA-N 0 0 332.403 3.209 50 0 EGAARN Cn1c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2n(C)c1=O ZINC000004867994 210308445 /nfs/dbraw/zinc/30/84/45/210308445.db2.gz FZYVZFYLDFOEQB-UHFFFAOYSA-N 0 0 337.423 3.427 50 0 EGAARN CC(=O)Oc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000004868511 210308378 /nfs/dbraw/zinc/30/83/78/210308378.db2.gz VVKUOSRDUFIKJP-UHFFFAOYSA-N 0 0 338.319 3.019 50 0 EGAARN CN(C(=O)c1ccccc1-n1cccn1)[C@H](c1ccccn1)C1CC1 ZINC000097259183 219006499 /nfs/dbraw/zinc/00/64/99/219006499.db2.gz ZSYMVGFRIXFPQM-IBGZPJMESA-N 0 0 332.407 3.491 50 0 EGAARN O=C(NCCSc1ccccc1)[C@@H](c1cccnc1)N1CCCC1 ZINC000097272350 219007843 /nfs/dbraw/zinc/00/78/43/219007843.db2.gz ZPRJFXDURKSBKI-GOSISDBHSA-N 0 0 341.480 3.127 50 0 EGAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(F)ccc1C 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EGAARN Cc1csc([C@H](C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000097547462 219034443 /nfs/dbraw/zinc/03/44/43/219034443.db2.gz DUSMZISQYWTUQV-ZDUSSCGKSA-N 0 0 326.425 3.470 50 0 EGAARN Cc1cc(C)n(-c2cccc(CN3CCC[C@@H]3c3nnc(C)[nH]3)c2)n1 ZINC000097570866 219035188 /nfs/dbraw/zinc/03/51/88/219035188.db2.gz UXZKXYNGCXNYOY-GOSISDBHSA-N 0 0 336.443 3.253 50 0 EGAARN O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1Cl ZINC000019959468 285213898 /nfs/dbraw/zinc/21/38/98/285213898.db2.gz QIXXAIZYXPVRMY-UHFFFAOYSA-N 0 0 326.787 3.034 50 0 EGAARN CSc1nc(C)cc2nnc(SCCOc3ccccc3)n21 ZINC000524733150 257842989 /nfs/dbraw/zinc/84/29/89/257842989.db2.gz ZHJOIDMHAJQWKX-UHFFFAOYSA-N 0 0 332.454 3.326 50 0 EGAARN O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000332537946 257950172 /nfs/dbraw/zinc/95/01/72/257950172.db2.gz VJPRRRONMSIWRC-IYARVYRRSA-N 0 0 334.435 3.093 50 0 EGAARN COC1CCN(C(=O)Nc2ccnn2[C@@H](C)c2ccccc2)CC1 ZINC000299769107 258083210 /nfs/dbraw/zinc/08/32/10/258083210.db2.gz MZOIFXVRMDFUBC-AWEZNQCLSA-N 0 0 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/nfs/dbraw/zinc/09/96/09/258099609.db2.gz KFLOEHVVIYUOFX-AWEZNQCLSA-N 0 0 349.438 3.166 50 0 EGAARN Cc1csc([C@@H](C)N(C)CCC(=O)NCc2ccccc2F)n1 ZINC000299803182 258105978 /nfs/dbraw/zinc/10/59/78/258105978.db2.gz ZLCCVPPXZOYCCI-CYBMUJFWSA-N 0 0 335.448 3.290 50 0 EGAARN Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)o2)s1 ZINC000000464720 258048538 /nfs/dbraw/zinc/04/85/38/258048538.db2.gz UZTSXGKKYJPFRS-UHFFFAOYSA-N 0 0 332.410 3.232 50 0 EGAARN CCOC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000002534337 258049905 /nfs/dbraw/zinc/04/99/05/258049905.db2.gz DINIIDHRTPFKLV-KOLCDFICSA-N 0 0 329.278 3.313 50 0 EGAARN O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccco1 ZINC000004553543 258051102 /nfs/dbraw/zinc/05/11/02/258051102.db2.gz USDZAEPEEMXVLJ-UHFFFAOYSA-N 0 0 333.299 3.299 50 0 EGAARN CCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1CCO ZINC000004936776 258051393 /nfs/dbraw/zinc/05/13/93/258051393.db2.gz ATLDLBOTNGRNRQ-UHFFFAOYSA-N 0 0 334.828 3.333 50 0 EGAARN CCCN1c2ccccc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000012653243 258055105 /nfs/dbraw/zinc/05/51/05/258055105.db2.gz ZMBUDBHBKOBXHV-OAQYLSRUSA-N 0 0 331.419 3.314 50 0 biogenic EGAARN CCc1nc(CN(C)c2cc(-c3ccccc3)nc3cc(C)nn32)no1 ZINC000072470514 258065052 /nfs/dbraw/zinc/06/50/52/258065052.db2.gz TXMKASBNYOSRNC-UHFFFAOYSA-N 0 0 348.410 3.287 50 0 EGAARN Cc1nc2ccc(C(=O)N[C@@H](C)c3nc(CC(C)C)no3)cc2o1 ZINC000215985990 258072321 /nfs/dbraw/zinc/07/23/21/258072321.db2.gz VUISSZMNRSFLFT-JTQLQIEISA-N 0 0 328.372 3.209 50 0 EGAARN Cc1cc(C)c(NC(=O)NC[C@H](CO)Cc2cccs2)c(C)n1 ZINC000299756085 258074499 /nfs/dbraw/zinc/07/44/99/258074499.db2.gz BJOGPOLBIJISOJ-CQSZACIVSA-N 0 0 333.457 3.041 50 0 EGAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000000420162 296471759 /nfs/dbraw/zinc/47/17/59/296471759.db2.gz XBYCECKCMRHULS-UHFFFAOYSA-N 0 0 341.354 3.452 50 0 EGAARN Cc1ccc2c(c1)N(C(=O)Cn1cc(C=O)c3ccccc31)CCO2 ZINC000051318964 132180572 /nfs/dbraw/zinc/18/05/72/132180572.db2.gz ZPXWSRKDQXIYSG-UHFFFAOYSA-N 0 0 334.375 3.188 50 0 EGAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000055062819 132193533 /nfs/dbraw/zinc/19/35/33/132193533.db2.gz XCTNVXZEXTUNIZ-UHFFFAOYSA-N 0 0 349.906 3.219 50 0 EGAARN CCCc1noc(CN2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000055108980 132193909 /nfs/dbraw/zinc/19/39/09/132193909.db2.gz KKSDXARMVQXGBW-UHFFFAOYSA-N 0 0 334.851 3.306 50 0 EGAARN CCN1c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2CCC1=O ZINC000038706816 132397320 /nfs/dbraw/zinc/39/73/20/132397320.db2.gz LFAKBOZCJPKPKB-UHFFFAOYSA-N 0 0 337.423 3.304 50 0 EGAARN Cn1ccc2c1cccc2C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000040287849 132399079 /nfs/dbraw/zinc/39/90/79/132399079.db2.gz PGSGTCDRXRPLFR-UHFFFAOYSA-N 0 0 337.398 3.280 50 0 EGAARN CC(C)c1ccc(N2CCC(CO)(Cc3ccccc3)CC2)nn1 ZINC000067894606 132813231 /nfs/dbraw/zinc/81/32/31/132813231.db2.gz KTCKCZYTKBYRFY-UHFFFAOYSA-N 0 0 325.456 3.422 50 0 EGAARN C[C@@H]1CCCN(c2nc3nonc3nc2Nc2ccccc2F)C1 ZINC000000276725 135648027 /nfs/dbraw/zinc/64/80/27/135648027.db2.gz BSVZHFVJPUELMN-SNVBAGLBSA-N 0 0 328.351 3.132 50 0 EGAARN CCc1noc(C)c1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000008140004 135682970 /nfs/dbraw/zinc/68/29/70/135682970.db2.gz SXCPRLQSPLTEDL-UHFFFAOYSA-N 0 0 347.846 3.470 50 0 EGAARN Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000000087418 292090161 /nfs/dbraw/zinc/09/01/61/292090161.db2.gz BWBWJWMVGDEXJB-GOSISDBHSA-N 0 0 328.437 3.414 50 0 EGAARN COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1 ZINC000013813661 286360471 /nfs/dbraw/zinc/36/04/71/286360471.db2.gz SESJRUNSSITKMH-ZDUSSCGKSA-N 0 0 344.363 3.162 50 0 biogenic EGAARN COCCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cl ZINC000077406218 292383971 /nfs/dbraw/zinc/38/39/71/292383971.db2.gz BQWCPWAKRFYAAN-CYBMUJFWSA-N 0 0 331.865 3.310 50 0 EGAARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000222800201 273508137 /nfs/dbraw/zinc/50/81/37/273508137.db2.gz GZQQIUSKGVDJEX-VXGBXAGGSA-N 0 0 329.849 3.272 50 0 EGAARN Cc1nn(C)c(-c2nc3c4c(C)c(C)sc4ncn3n2)c1Cl ZINC000002808127 274866749 /nfs/dbraw/zinc/86/67/49/274866749.db2.gz PMWAPRHKWBJKCZ-UHFFFAOYSA-N 0 0 332.820 3.318 50 0 EGAARN O=C(c1ccc2c(c1)NC(=O)c1ccccc1N2)N1CCSCC1 ZINC000253472593 275012978 /nfs/dbraw/zinc/01/29/78/275012978.db2.gz NTGOHLRIEGNGJT-UHFFFAOYSA-N 0 0 339.420 3.185 50 0 EGAARN O=C(CSc1ccncc1)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000046508342 275137515 /nfs/dbraw/zinc/13/75/15/275137515.db2.gz OYDKGCSDXDUXQV-MRXNPFEDSA-N 0 0 344.436 3.370 50 0 EGAARN CC(C)c1nn(C)cc1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000280213899 275421760 /nfs/dbraw/zinc/42/17/60/275421760.db2.gz KHUCEXCCNWMIFS-UHFFFAOYSA-N 0 0 327.413 3.314 50 0 EGAARN CC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1C)CC[C@@H](C)C3 ZINC000002492296 275499151 /nfs/dbraw/zinc/49/91/51/275499151.db2.gz AQGSSXSAEUCIAX-PSASIEDQSA-N 0 0 336.482 3.189 50 0 EGAARN Cc1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)no1 ZINC000002778056 452722911 /nfs/dbraw/zinc/72/29/11/452722911.db2.gz RAKDCQUKYWWYOU-SSDOTTSWSA-N 0 0 336.701 3.360 50 0 EGAARN CCCCC1=N[C@@H]2Sc3c4nnnn4cnc3[C@H]2C2=C1CCC2 ZINC000006309892 275969550 /nfs/dbraw/zinc/96/95/50/275969550.db2.gz QBEJVQWKUBXCEP-MLGOLLRUSA-N 0 0 326.429 3.160 50 0 EGAARN CC(C)c1ccc(-n2nnc(C(=O)NC3CCCCC3)c2N)cc1 ZINC000016647825 276048107 /nfs/dbraw/zinc/04/81/07/276048107.db2.gz WUYDAPIFHURPOC-UHFFFAOYSA-N 0 0 327.432 3.035 50 0 EGAARN CC1(C)Cc2c(sc3[nH]c(=O)n4nc(-c5ccco5)nc4c23)CO1 ZINC000004632388 276150440 /nfs/dbraw/zinc/15/04/40/276150440.db2.gz OCHOGGNHMZWTKM-UHFFFAOYSA-N 0 0 342.380 3.156 50 0 EGAARN COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000000427669 277147538 /nfs/dbraw/zinc/14/75/38/277147538.db2.gz QDLBYWTVNDEDOW-GFCCVEGCSA-N 0 0 343.379 3.040 50 0 EGAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cc(C)ccc1C)c2=O ZINC000100429130 277162668 /nfs/dbraw/zinc/16/26/68/277162668.db2.gz XUUUQLKYKKGZCX-UHFFFAOYSA-N 0 0 340.404 3.078 50 0 EGAARN CN1c2cccnc2Sc2ccc(NC(=O)C3CC3)cc2C1=O ZINC000096231401 277219160 /nfs/dbraw/zinc/21/91/60/277219160.db2.gz VHYGFXASTJMLDH-UHFFFAOYSA-N 0 0 325.393 3.171 50 0 EGAARN COc1cc(Br)c(F)cc1I ZINC000095147718 277366900 /nfs/dbraw/zinc/36/69/00/277366900.db2.gz BGKZMHSPKQAKEL-UHFFFAOYSA-N 0 0 330.922 3.201 50 0 EGAARN C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1 ZINC000005302285 277989736 /nfs/dbraw/zinc/98/97/36/277989736.db2.gz WYVIUPGYJPGNCZ-CJNGLKHVSA-N 0 0 333.395 3.324 50 0 EGAARN CC(C)c1cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)no1 ZINC000082120892 278014789 /nfs/dbraw/zinc/01/47/89/278014789.db2.gz JLAGXAJWLDIEMJ-QGZVFWFLSA-N 0 0 342.443 3.150 50 0 EGAARN COc1cccc(NC(=O)[C@@]2(C)Cc3cc(Cl)ccc3C(=O)O2)c1 ZINC000009450750 278017889 /nfs/dbraw/zinc/01/78/89/278017889.db2.gz URMYYWJEAGTUFN-GOSISDBHSA-N 0 0 345.782 3.459 50 0 EGAARN CC12CN3CC(C)(CN(C1)C3c1c[nH]c3cc(Cl)ccc31)C2=O ZINC000032124263 278477831 /nfs/dbraw/zinc/47/78/31/278477831.db2.gz TUEPFCSVVOAJLR-UHFFFAOYSA-N 0 0 329.831 3.046 50 0 biogenic EGAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(C)C3=O ZINC000004837890 280710518 /nfs/dbraw/zinc/71/05/18/280710518.db2.gz NYSYRODCIRIJJU-KRWDZBQOSA-N 0 0 335.359 3.290 50 0 EGAARN CN(C)c1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)cc1 ZINC000065503953 289411357 /nfs/dbraw/zinc/41/13/57/289411357.db2.gz RKZCDJOXUMPDHJ-OAHLLOKOSA-N 0 0 347.422 3.022 50 0 EGAARN Cn1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cn1 ZINC000079478255 294305259 /nfs/dbraw/zinc/30/52/59/294305259.db2.gz YYKIMEXCAJSTNC-CQSZACIVSA-N 0 0 347.444 3.252 50 0 EGAARN O=C1Nc2ccccc2[C@]12Nc1ccccc1C(=O)N2Cc1ccco1 ZINC000100133345 304690079 /nfs/dbraw/zinc/69/00/79/304690079.db2.gz LVVBMRMARYGMHX-HXUWFJFHSA-N 0 0 345.358 3.153 50 0 EGAARN Cc1cccn2c(=O)c3cc(C(=O)N(C(C)C)C(C)C)sc3nc12 ZINC000000426893 302229476 /nfs/dbraw/zinc/22/94/76/302229476.db2.gz LNAKTXQKLQSYNK-UHFFFAOYSA-N 0 0 343.452 3.477 50 0 EGAARN O=C(CCCn1cccn1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000253413319 303579574 /nfs/dbraw/zinc/57/95/74/303579574.db2.gz UMAXCLSNPQCFHN-KRWDZBQOSA-N 0 0 337.427 3.293 50 0 EGAARN CC(=O)c1ncc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000411475003 308940786 /nfs/dbraw/zinc/94/07/86/308940786.db2.gz DGJTYODZSQNCFG-CQSZACIVSA-N 0 0 346.408 3.156 50 0 EGAARN Cc1nc2ccsc2c(N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)n1 ZINC000244564053 455275639 /nfs/dbraw/zinc/27/56/39/455275639.db2.gz CLVCVBRXYHDIHV-BJJXKVORSA-N 0 0 340.452 3.189 50 0 EGAARN O=C(c1ccc(CC[C@H]2COc3ccccc3O2)nc1)N1CCCC1 ZINC000244795167 455276925 /nfs/dbraw/zinc/27/69/25/455276925.db2.gz RAUFASCVKLQIHN-KRWDZBQOSA-N 0 0 338.407 3.090 50 0 EGAARN O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000000029843 452490697 /nfs/dbraw/zinc/49/06/97/452490697.db2.gz FERZLSVRIHOENW-UHFFFAOYSA-N 0 0 326.215 3.391 50 0 EGAARN COC(=O)c1c2c(sc1NC(=O)c1ccncc1)C[C@H](C)CC2 ZINC000000037925 452494413 /nfs/dbraw/zinc/49/44/13/452494413.db2.gz KCQJPEPGTVQFFT-SNVBAGLBSA-N 0 0 330.409 3.307 50 0 EGAARN COc1cccc(OC)c1CNC(=O)c1cnccc1C(F)(F)F ZINC000000078541 452500359 /nfs/dbraw/zinc/50/03/59/452500359.db2.gz UTZQAGLNDWAYAT-UHFFFAOYSA-N 0 0 340.301 3.048 50 0 EGAARN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1S(C)(=O)=O ZINC000000087380 452504893 /nfs/dbraw/zinc/50/48/93/452504893.db2.gz PYLBBVOOWRPRFH-QGZVFWFLSA-N 0 0 344.436 3.114 50 0 EGAARN COc1ccccc1N1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000000112374 452510750 /nfs/dbraw/zinc/51/07/50/452510750.db2.gz RXBUSNSKYQGGJY-UHFFFAOYSA-N 0 0 325.412 3.358 50 0 EGAARN O=C(NCc1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1 ZINC000000113554 452511149 /nfs/dbraw/zinc/51/11/49/452511149.db2.gz BSZXQWPBTLEORN-UHFFFAOYSA-N 0 0 337.297 3.450 50 0 EGAARN Fc1ccccc1N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000000110212 452511185 /nfs/dbraw/zinc/51/11/85/452511185.db2.gz OPDQENDKMQYWAZ-UHFFFAOYSA-N 0 0 329.444 3.022 50 0 EGAARN Cc1oc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1 ZINC000000118139 452511938 /nfs/dbraw/zinc/51/19/38/452511938.db2.gz XHRZZTFQNMUILW-UHFFFAOYSA-N 0 0 348.424 3.015 50 0 EGAARN CCOc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000000120386 452512876 /nfs/dbraw/zinc/51/28/76/452512876.db2.gz QFHFXUJQVVOUTC-UHFFFAOYSA-N 0 0 340.408 3.036 50 0 EGAARN CCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000000132078 452516042 /nfs/dbraw/zinc/51/60/42/452516042.db2.gz FJOFDPGVFFLTLF-UHFFFAOYSA-N 0 0 335.404 3.228 50 0 EGAARN CC(C)OC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000000144755 452519276 /nfs/dbraw/zinc/51/92/76/452519276.db2.gz IKUBZIXHTMCPNG-UHFFFAOYSA-N 0 0 328.393 3.077 50 0 EGAARN Cc1cc(Cl)ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000000145224 452519954 /nfs/dbraw/zinc/51/99/54/452519954.db2.gz OWGQMPXVFMWESY-UHFFFAOYSA-N 0 0 342.782 3.273 50 0 EGAARN O=C(CSc1nnc2sc3ccccc3n12)NC1CCCCC1 ZINC000000142784 452520019 /nfs/dbraw/zinc/52/00/19/452520019.db2.gz QEKIFJYBXUSORN-UHFFFAOYSA-N 0 0 346.481 3.485 50 0 EGAARN Clc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1 ZINC000000154491 452523290 /nfs/dbraw/zinc/52/32/90/452523290.db2.gz YVEQUAAEQTUWDW-UHFFFAOYSA-N 0 0 327.800 3.352 50 0 EGAARN Cc1cc(Cl)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000000168541 452525791 /nfs/dbraw/zinc/52/57/91/452525791.db2.gz SKULOCUMTKDCOT-UHFFFAOYSA-N 0 0 333.771 3.072 50 0 EGAARN Cc1ccc(C(C)C)c(OCc2nc3c4cnn(C)c4ncn3n2)c1 ZINC000000206078 452535453 /nfs/dbraw/zinc/53/54/53/452535453.db2.gz JJDLVGVPFMJAOY-UHFFFAOYSA-N 0 0 336.399 3.022 50 0 EGAARN Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cc1 ZINC000000213195 452536251 /nfs/dbraw/zinc/53/62/51/452536251.db2.gz JZHQSBWCJVVYIM-UHFFFAOYSA-N 0 0 327.281 3.138 50 0 EGAARN CC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000000233820 452543932 /nfs/dbraw/zinc/54/39/32/452543932.db2.gz JCHCSEXZTHMWAZ-AWEZNQCLSA-N 0 0 346.452 3.040 50 0 EGAARN CCOC(=O)[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000000237299 452544112 /nfs/dbraw/zinc/54/41/12/452544112.db2.gz IUVNYPFVAMKOBY-CYBMUJFWSA-N 0 0 326.234 3.224 50 0 EGAARN Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)[C@@H](C)C2)c1 ZINC000000263981 452549776 /nfs/dbraw/zinc/54/97/76/452549776.db2.gz YJDQQMAXDUHPEM-KRWDZBQOSA-N 0 0 336.435 3.290 50 0 EGAARN COc1cccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)c1 ZINC000000273900 452552599 /nfs/dbraw/zinc/55/25/99/452552599.db2.gz RGZNZOULSMBSSA-UHFFFAOYSA-N 0 0 325.320 3.063 50 0 EGAARN CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccncc2)C1 ZINC000000288098 452554954 /nfs/dbraw/zinc/55/49/54/452554954.db2.gz VPEPVHRVSWRMJG-KRWDZBQOSA-N 0 0 329.787 3.192 50 0 EGAARN COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000287229 452555292 /nfs/dbraw/zinc/55/52/92/452555292.db2.gz DDKGOBYFQTVPJQ-UHFFFAOYSA-N 0 0 329.375 3.188 50 0 EGAARN O=S(=O)(c1ccc(Br)cc1)N1CCc2ccccc21 ZINC000000288611 452555330 /nfs/dbraw/zinc/55/53/30/452555330.db2.gz WQXHNJBSBDGRAZ-UHFFFAOYSA-N 0 0 338.226 3.201 50 0 EGAARN CCOC(=O)[C@H](CC)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000305554 452559333 /nfs/dbraw/zinc/55/93/33/452559333.db2.gz FTZJVPYHVXJDBS-JQWIXIFHSA-N 0 0 334.441 3.097 50 0 EGAARN O=S(=O)(N[C@H]1CCCC[C@H]1Nc1ccccc1)c1ccccc1 ZINC000000317205 452562238 /nfs/dbraw/zinc/56/22/38/452562238.db2.gz SLGBYCYQQULCMK-MSOLQXFVSA-N 0 0 330.453 3.388 50 0 EGAARN CCOC(=O)c1cc(C)sc1NC(=S)NC(=O)c1ccccc1 ZINC000000314383 452562294 /nfs/dbraw/zinc/56/22/94/452562294.db2.gz UODVCGPONOCOLK-UHFFFAOYSA-N 0 0 348.449 3.360 50 0 EGAARN COc1cc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC ZINC000000318152 452563981 /nfs/dbraw/zinc/56/39/81/452563981.db2.gz PKVWCQMMKMRAPP-QPJJXVBHSA-N 0 0 348.786 3.413 50 0 EGAARN CCOc1ccccc1NC(=O)c1cc(OC)c(OC)cc1OC ZINC000000365402 452571465 /nfs/dbraw/zinc/57/14/65/452571465.db2.gz WSWVBECRLXTPQG-UHFFFAOYSA-N 0 0 331.368 3.363 50 0 EGAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 ZINC000000368212 452573449 /nfs/dbraw/zinc/57/34/49/452573449.db2.gz SCKHQXZHKPIPMD-UHFFFAOYSA-N 0 0 335.816 3.261 50 0 EGAARN COC(=O)c1ccccc1OC(=O)Nc1ccc(OC)cc1OC ZINC000000399694 452578775 /nfs/dbraw/zinc/57/87/75/452578775.db2.gz KIIYLIQIISWPAV-UHFFFAOYSA-N 0 0 331.324 3.101 50 0 EGAARN CCOC(=O)[C@@H](CC)Sc1ncnc2c1cnn2-c1ccccc1 ZINC000000421025 452584911 /nfs/dbraw/zinc/58/49/11/452584911.db2.gz ALDFCEHRXNMGJG-CQSZACIVSA-N 0 0 342.424 3.249 50 0 EGAARN O=C(Nc1cccnc1Cl)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000000425647 452587474 /nfs/dbraw/zinc/58/74/74/452587474.db2.gz XJYXJNCXWRMQLK-UHFFFAOYSA-N 0 0 343.726 3.371 50 0 EGAARN O=C(NCCn1ccc2ccccc21)c1ccc(Br)o1 ZINC000000427830 452589164 /nfs/dbraw/zinc/58/91/64/452589164.db2.gz AOFNJPWWQUTMBI-UHFFFAOYSA-N 0 0 333.185 3.427 50 0 EGAARN COc1ccc(CCNC(=O)Nc2ccc(F)cc2F)cc1OC ZINC000000455374 452597269 /nfs/dbraw/zinc/59/72/69/452597269.db2.gz UNTZBRJFJKUVAM-UHFFFAOYSA-N 0 0 336.338 3.346 50 0 EGAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCCC2)cc1 ZINC000000457056 452599317 /nfs/dbraw/zinc/59/93/17/452599317.db2.gz GOGXRCKGYWLSGH-MDZDMXLPSA-N 0 0 341.436 3.406 50 0 aggregator EGAARN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000000464424 452600513 /nfs/dbraw/zinc/60/05/13/452600513.db2.gz RUPHXBMWTKLQMO-UHFFFAOYSA-N 0 0 347.827 3.425 50 0 EGAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1 ZINC000000479758 452603836 /nfs/dbraw/zinc/60/38/36/452603836.db2.gz MIYNQPQPPSLFMP-UHFFFAOYSA-N 0 0 339.420 3.385 50 0 EGAARN COc1ccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000488472 452605896 /nfs/dbraw/zinc/60/58/96/452605896.db2.gz URRAGUDJHHOROK-GFCCVEGCSA-N 0 0 345.395 3.212 50 0 EGAARN O=C(NCCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000000489374 452608121 /nfs/dbraw/zinc/60/81/21/452608121.db2.gz MWSNHGZRQLWCEB-UHFFFAOYSA-N 0 0 337.379 3.303 50 0 biogenic EGAARN CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 ZINC000000527527 452614301 /nfs/dbraw/zinc/61/43/01/452614301.db2.gz FWSCBLCZMLOYER-UUOWRZLLSA-N 0 0 348.383 3.415 50 0 EGAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)Nc2nc(N)nn21 ZINC000000532607 452615918 /nfs/dbraw/zinc/61/59/18/452615918.db2.gz YKLFZDHYFDWBPA-CVEARBPZSA-N 0 0 335.411 3.324 50 0 EGAARN Clc1cccc(-n2ncc3c4nnc(-c5ccco5)n4cnc32)c1 ZINC000000537190 452617791 /nfs/dbraw/zinc/61/77/91/452617791.db2.gz LWMRHANIYFHADE-UHFFFAOYSA-N 0 0 336.742 3.377 50 0 EGAARN CCc1nnc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn12 ZINC000000539543 452618045 /nfs/dbraw/zinc/61/80/45/452618045.db2.gz NZCSFHJITIJDED-UHFFFAOYSA-N 0 0 333.182 3.332 50 0 EGAARN Fc1ccccc1-c1nnc2c3cnn(-c4ccccc4)c3ncn21 ZINC000000543735 452618423 /nfs/dbraw/zinc/61/84/23/452618423.db2.gz 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/nfs/dbraw/zinc/64/75/49/452647549.db2.gz KJGCPAIZTBQIRK-LBPRGKRZSA-N 0 0 344.798 3.340 50 0 EGAARN COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000001195684 452647586 /nfs/dbraw/zinc/64/75/86/452647586.db2.gz SZZYZVFMFXNKSG-UHFFFAOYSA-N 0 0 339.391 3.171 50 0 EGAARN COC(=O)c1c(C)n(Cc2ccc3c(c2)OCO3)c2ccc(O)cc21 ZINC000001099711 452647603 /nfs/dbraw/zinc/64/76/03/452647603.db2.gz QIPMTOONDXOZBJ-UHFFFAOYSA-N 0 0 339.347 3.219 50 0 biogenic,in-vitro EGAARN O=S(=O)(Cc1cc(Cl)nc(-c2cccnc2)n1)c1ccccc1 ZINC000001383052 452657226 /nfs/dbraw/zinc/65/72/26/452657226.db2.gz YUHCMZQXDVQEBM-UHFFFAOYSA-N 0 0 345.811 3.166 50 0 EGAARN FC(F)(F)c1cnc(N2CC=C(N3CCOCC3)CC2)c(Cl)c1 ZINC000001401397 452660483 /nfs/dbraw/zinc/66/04/83/452660483.db2.gz TUYDCSHDJMSRFA-UHFFFAOYSA-N 0 0 347.768 3.180 50 0 EGAARN COC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001396481 452660646 /nfs/dbraw/zinc/66/06/46/452660646.db2.gz VOARYOHPFVQNSX-UHFFFAOYSA-N 0 0 327.167 3.382 50 0 EGAARN COc1ccc(-n2c(C)nnc2-c2cnn(-c3ccccc3)c2N)cc1 ZINC000001407049 452661494 /nfs/dbraw/zinc/66/14/94/452661494.db2.gz CYMWQKHKBRLRSD-UHFFFAOYSA-N 0 0 346.394 3.019 50 0 EGAARN Cc1ccc(C)c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000001406108 452661582 /nfs/dbraw/zinc/66/15/82/452661582.db2.gz BKUBDJPSMVPYHI-UHFFFAOYSA-N 0 0 343.452 3.051 50 0 EGAARN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000001401646 452661870 /nfs/dbraw/zinc/66/18/70/452661870.db2.gz QDZOKTYTVNDCII-JTQLQIEISA-N 0 0 335.816 3.256 50 0 EGAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Oc1ccccc1)c1ccccc1 ZINC000001427109 452663153 /nfs/dbraw/zinc/66/31/53/452663153.db2.gz MSPOMUWFJZWNBR-MSOLQXFVSA-N 0 0 331.437 3.355 50 0 EGAARN O=C(CCc1ccccc1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000001424658 452663298 /nfs/dbraw/zinc/66/32/98/452663298.db2.gz URUDRJDXPZVPBH-UHFFFAOYSA-N 0 0 335.407 3.109 50 0 EGAARN COc1ccc(NC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001443737 452665636 /nfs/dbraw/zinc/66/56/36/452665636.db2.gz AYTZSQZOTDZUGP-UHFFFAOYSA-N 0 0 328.755 3.218 50 0 EGAARN O=C(/C=C/c1ccc(C(=O)Nc2cccnc2)cc1)Nc1cccnc1 ZINC000001803125 452678134 /nfs/dbraw/zinc/67/81/34/452678134.db2.gz WQRYGSAJFZXYCU-JXMROGBWSA-N 0 0 344.374 3.381 50 0 EGAARN CCCOC(=O)[C@H](CC)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001775303 452679483 /nfs/dbraw/zinc/67/94/83/452679483.db2.gz DECKHTLWELWCQN-YPMHNXCESA-N 0 0 348.468 3.487 50 0 EGAARN CCOCCOC(=O)[C@H](C)Sc1ncnc2sc(C)c(C)c21 ZINC000001778593 452679770 /nfs/dbraw/zinc/67/97/70/452679770.db2.gz YCTRVDYPHYXILL-NSHDSACASA-N 0 0 340.470 3.368 50 0 EGAARN COCc1nnc(NC(=O)CCCOc2cc(C)ccc2C)s1 ZINC000001903953 452681980 /nfs/dbraw/zinc/68/19/80/452681980.db2.gz AFEQQJXOWPHMDM-UHFFFAOYSA-N 0 0 335.429 3.099 50 0 EGAARN COC(=O)c1ccccc1NCc1cc(=O)oc2cc(C)c(O)cc12 ZINC000002112924 452685941 /nfs/dbraw/zinc/68/59/41/452685941.db2.gz QQPFXWPLDVNFCO-UHFFFAOYSA-N 0 0 339.347 3.206 50 0 biogenic EGAARN CCOC(=O)[C@](NC(=O)OC(C)C)(Nc1ccccc1)C(F)(F)F ZINC000002306325 452691807 /nfs/dbraw/zinc/69/18/07/452691807.db2.gz 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/nfs/dbraw/zinc/70/28/92/452702892.db2.gz SQPFTGXBNUGMKG-UHFFFAOYSA-N 0 0 335.469 3.152 50 0 EGAARN CCOC(=O)c1ccccc1NC(=O)COc1ccc(OCC)cc1 ZINC000002549330 452704246 /nfs/dbraw/zinc/70/42/46/452704246.db2.gz QCYVPKSYLRJCKJ-UHFFFAOYSA-N 0 0 343.379 3.280 50 0 EGAARN Cc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)no1 ZINC000002720281 452716074 /nfs/dbraw/zinc/71/60/74/452716074.db2.gz DFPBLXRNXGBJHN-UHFFFAOYSA-N 0 0 330.369 3.072 50 0 EGAARN CCS(=O)(=O)N1CCN=C1SCc1cccc2ccccc21 ZINC000002711750 452716995 /nfs/dbraw/zinc/71/69/95/452716995.db2.gz MEPIQEGBWYIESU-UHFFFAOYSA-N 0 0 334.466 3.094 50 0 EGAARN COc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002757132 452720350 /nfs/dbraw/zinc/72/03/50/452720350.db2.gz NRCBFTNNICHHTG-UHFFFAOYSA-N 0 0 330.815 3.311 50 0 EGAARN O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)[C@H]1CCCO1 ZINC000002762889 452721401 /nfs/dbraw/zinc/72/14/01/452721401.db2.gz BLDCPQSEJRIEAU-CQSZACIVSA-N 0 0 340.210 3.356 50 0 EGAARN COC(=O)c1cnn2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000002779596 452722422 /nfs/dbraw/zinc/72/24/22/452722422.db2.gz CRVKUAONOIVMFA-UHFFFAOYSA-N 0 0 333.294 3.129 50 0 EGAARN CSc1ccccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 ZINC000002768681 452722559 /nfs/dbraw/zinc/72/25/59/452722559.db2.gz GDNQRTSDCWMCIE-UHFFFAOYSA-N 0 0 349.366 3.345 50 0 EGAARN Cc1cc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)no1 ZINC000002778057 452722756 /nfs/dbraw/zinc/72/27/56/452722756.db2.gz RAKDCQUKYWWYOU-ZETCQYMHSA-N 0 0 336.701 3.360 50 0 EGAARN Cc1ccnc(NC(=O)c2ccn(COc3ccc(F)cc3)n2)c1 ZINC000002788188 452724238 /nfs/dbraw/zinc/72/42/38/452724238.db2.gz UTGVDPCDYRHKEF-UHFFFAOYSA-N 0 0 326.331 3.014 50 0 EGAARN Cc1cc(C(F)(F)F)n2nc(-c3nnc(-c4ccccn4)o3)cc2n1 ZINC000002803462 452725836 /nfs/dbraw/zinc/72/58/36/452725836.db2.gz HMRYCYFBPPULIZ-UHFFFAOYSA-N 0 0 346.272 3.169 50 0 EGAARN COc1cc(-c2nnc(-c3cc(C)nn3C)o2)ccc1OC(F)F ZINC000002806569 452726345 /nfs/dbraw/zinc/72/63/45/452726345.db2.gz VIXVZLDLAIBPNX-UHFFFAOYSA-N 0 0 336.298 3.056 50 0 EGAARN CCn1ncc(Cl)c1CNC(=O)c1cc(-c2cccs2)on1 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CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000002877448 452732123 /nfs/dbraw/zinc/73/21/23/452732123.db2.gz AEUQCIJWEFSQSZ-UHFFFAOYSA-N 0 0 334.734 3.259 50 0 EGAARN COc1ccc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000002887574 452733688 /nfs/dbraw/zinc/73/36/88/452733688.db2.gz QUZNXXGVFLGBRT-UHFFFAOYSA-N 0 0 332.787 3.026 50 0 EGAARN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000002885060 452733925 /nfs/dbraw/zinc/73/39/25/452733925.db2.gz IGYOXTVEZBRSEU-UHFFFAOYSA-N 0 0 332.425 3.472 50 0 EGAARN CCc1ccccc1NC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000002917103 452736708 /nfs/dbraw/zinc/73/67/08/452736708.db2.gz YZOUKJVEZPDGQB-UHFFFAOYSA-N 0 0 346.390 3.001 50 0 EGAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000002988384 452738426 /nfs/dbraw/zinc/73/84/26/452738426.db2.gz KJKIMODDWQINBB-CYBMUJFWSA-N 0 0 326.462 3.138 50 0 EGAARN Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002970748 452738505 /nfs/dbraw/zinc/73/85/05/452738505.db2.gz YHZKTFAVCZKVIM-UHFFFAOYSA-N 0 0 325.430 3.205 50 0 EGAARN CCN(CC)C(=S)SCCC(=O)NC(=O)Nc1ccccc1 ZINC000002983292 452738858 /nfs/dbraw/zinc/73/88/58/452738858.db2.gz HFEANVIRNBKGNG-UHFFFAOYSA-N 0 0 339.486 3.085 50 0 EGAARN CCN(Cc1ccccc1)C(=O)CC(=O)N(CC)Cc1ccccc1 ZINC000003276786 452755630 /nfs/dbraw/zinc/75/56/30/452755630.db2.gz UXXQBWCUGQPVDT-UHFFFAOYSA-N 0 0 338.451 3.474 50 0 EGAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1Br ZINC000004066181 452790158 /nfs/dbraw/zinc/79/01/58/452790158.db2.gz TWYXEEWTKWYRLB-DJBIQUGXSA-N 0 0 332.197 3.069 50 0 EGAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2csc3c2CC[C@@H](C)C3)N1 ZINC000004124161 452795379 /nfs/dbraw/zinc/79/53/79/452795379.db2.gz BSTSKBCMPHUAME-CLAHSXSESA-N 0 0 346.374 3.346 50 0 EGAARN C[C@H](NC(=O)CSCC(=O)Nc1ccccc1)c1ccccc1 ZINC000004588286 452810657 /nfs/dbraw/zinc/81/06/57/452810657.db2.gz GFZKCBUMCCCIGV-AWEZNQCLSA-N 0 0 328.437 3.236 50 0 EGAARN CC1=Nc2ncnn2[C@@H](c2ccc(F)cc2)C1C(=O)OC1CCCC1 ZINC000004987079 452828977 /nfs/dbraw/zinc/82/89/77/452828977.db2.gz 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CO[C@](C)(CNC(=O)c1cccc(N(C)C)c1)c1ccccc1F ZINC000096123469 454289609 /nfs/dbraw/zinc/28/96/09/454289609.db2.gz GQNSOXVPRAFJKN-LJQANCHMSA-N 0 0 330.403 3.183 50 0 EGAARN Cc1csc([C@H](C)N(C)C(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000096130342 454289612 /nfs/dbraw/zinc/28/96/12/454289612.db2.gz MAPOJCXGMMYTDL-ZDUSSCGKSA-N 0 0 326.425 3.470 50 0 EGAARN CCCO[C@H]1CCCN(C(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000096137354 454291793 /nfs/dbraw/zinc/29/17/93/454291793.db2.gz HRAOHNMVIQVXBT-KRWDZBQOSA-N 0 0 328.416 3.295 50 0 EGAARN Fc1ccc(-n2nc(-c3ccncc3)nc2C[C@@H]2CCOC2)cc1F ZINC000096140138 454291951 /nfs/dbraw/zinc/29/19/51/454291951.db2.gz CVTAAJLQFJZSAV-LBPRGKRZSA-N 0 0 342.349 3.187 50 0 EGAARN Cc1nccn1CCC1CCN(c2nccc(-c3ccccn3)n2)CC1 ZINC000096153774 454293804 /nfs/dbraw/zinc/29/38/04/454293804.db2.gz SCZJBCDVEZAPPU-UHFFFAOYSA-N 0 0 348.454 3.350 50 0 EGAARN CCCCn1nc(-c2ccc(C)o2)nc1[C@@H]1CSC(C)(C)C(=O)N1 ZINC000096154039 454294156 /nfs/dbraw/zinc/29/41/56/454294156.db2.gz YKWYDQCLRVYQLF-LBPRGKRZSA-N 0 0 348.472 3.329 50 0 EGAARN CC(C)n1ncc2c1NC(=O)C[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000072404135 454294300 /nfs/dbraw/zinc/29/43/00/454294300.db2.gz WVXGYKHWWHSXPJ-INIZCTEOSA-N 0 0 330.775 3.347 50 0 EGAARN Cc1cc(Cl)cc(C)c1NC(=O)N(C)CCN1CCCCC1=O ZINC000096167130 454297042 /nfs/dbraw/zinc/29/70/42/454297042.db2.gz WXUCOVLVXLOVNP-UHFFFAOYSA-N 0 0 337.851 3.433 50 0 EGAARN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000096180807 454298579 /nfs/dbraw/zinc/29/85/79/454298579.db2.gz MYFVXVPZFNLHAK-QGZVFWFLSA-N 0 0 348.878 3.032 50 0 EGAARN O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccccc1C(F)(F)F ZINC000096346322 454319026 /nfs/dbraw/zinc/31/90/26/454319026.db2.gz QVISDFWMLASZIJ-MRVPVSSYSA-N 0 0 336.524 3.124 50 0 EGAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc43)C2)c(C)c1 ZINC000096344880 454319311 /nfs/dbraw/zinc/31/93/11/454319311.db2.gz AXGUKIMBQBCGNJ-CQSZACIVSA-N 0 0 348.406 3.171 50 0 EGAARN CO[C@H](CNC(=O)Nc1ccc2c(c1)OCO2)c1cccc(F)c1 ZINC000096388866 454320199 /nfs/dbraw/zinc/32/01/99/454320199.db2.gz QGALJPZWYKIKCS-MRXNPFEDSA-N 0 0 332.331 3.064 50 0 EGAARN CN(C)c1ccc([C@H](O)CNC(=O)CCSc2ccccc2)cc1 ZINC000090611767 454327313 /nfs/dbraw/zinc/32/73/13/454327313.db2.gz SHIPZQFSAMMEAV-GOSISDBHSA-N 0 0 344.480 3.085 50 0 EGAARN CNc1nc2c(s1)[C@@H](c1cc(OC)c(OC)cc1OC)CC(=O)N2 ZINC000061719537 454352369 /nfs/dbraw/zinc/35/23/69/454352369.db2.gz DWDDNPCNSVNTGF-SECBINFHSA-N 0 0 349.412 3.334 50 0 EGAARN CCN(CC)Cc1nnc2sc(/C=C/c3ccccc3OC)nn12 ZINC000061722148 454353748 /nfs/dbraw/zinc/35/37/48/454353748.db2.gz DSYWATAELFUMFR-ZHACJKMWSA-N 0 0 343.456 3.207 50 0 EGAARN Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)N1CCC2(CC1)OCCO2 ZINC000061947389 454363073 /nfs/dbraw/zinc/36/30/73/454363073.db2.gz WFQOMEMDVYWHLP-OAHLLOKOSA-N 0 0 342.439 3.195 50 0 EGAARN C[C@@](O)(CCc1ccccc1)CNC(=O)Cc1ccc(Cl)cc1 ZINC000062021437 454364839 /nfs/dbraw/zinc/36/48/39/454364839.db2.gz OKWJGOWZDUGBEJ-LJQANCHMSA-N 0 0 331.843 3.383 50 0 EGAARN COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1cccn1C)C1CC1 ZINC000062018328 454365316 /nfs/dbraw/zinc/36/53/16/454365316.db2.gz BZRJYCJRZXQWBS-UHFFFAOYSA-N 0 0 348.468 3.004 50 0 EGAARN C[C@](O)(CCc1ccccc1)CNC(=O)NCc1ccc(F)cc1 ZINC000062021531 454365907 /nfs/dbraw/zinc/36/59/07/454365907.db2.gz CVSGUOLZVIRMMP-IBGZPJMESA-N 0 0 330.403 3.009 50 0 EGAARN CN(C)CC[NH2+][C@H](C(=O)[O-])c1c2ccccc2[nH]c1-c1ccccc1 ZINC000096836396 454382194 /nfs/dbraw/zinc/38/21/94/454382194.db2.gz DSWRJBIRYIMSOM-IBGZPJMESA-N 0 0 337.423 3.112 50 0 EGAARN Cc1nnc2n1C[C@H](NC(=O)c1ccc(Oc3ccccc3)cc1)CC2 ZINC000097198009 454421594 /nfs/dbraw/zinc/42/15/94/454421594.db2.gz XISLPEOIYMKRKP-MRXNPFEDSA-N 0 0 348.406 3.124 50 0 EGAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1csc(-c3ccsc3)n1)C2 ZINC000097198451 454422315 /nfs/dbraw/zinc/42/23/15/454422315.db2.gz YBYNXRKTBPMXQM-LBPRGKRZSA-N 0 0 344.465 3.121 50 0 EGAARN O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000097213002 454424673 /nfs/dbraw/zinc/42/46/73/454424673.db2.gz QLNYNHLNQAENTJ-QGZVFWFLSA-N 0 0 325.412 3.363 50 0 EGAARN CN(Cc1cnc(N2CCCC2)s1)Cc1cnc2ccccc2n1 ZINC000097568813 454440205 /nfs/dbraw/zinc/44/02/05/454440205.db2.gz YNLNPPHXMZLNJZ-UHFFFAOYSA-N 0 0 339.468 3.319 50 0 EGAARN Cc1cccc(CN(C(=O)c2cc(C)c(C)n(C)c2=O)C(C)C)c1 ZINC000063846813 454454000 /nfs/dbraw/zinc/45/40/00/454454000.db2.gz VBAXDCIVZMTPTP-UHFFFAOYSA-N 0 0 326.440 3.361 50 0 EGAARN O=C(C1CCCCCC1)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 ZINC000063884926 454457465 /nfs/dbraw/zinc/45/74/65/454457465.db2.gz NFEJJSZACKWQIA-HNNXBMFYSA-N 0 0 330.476 3.365 50 0 EGAARN COC(=O)c1cc(Br)cc(NC2CCOCC2)c1C ZINC000098185974 454463701 /nfs/dbraw/zinc/46/37/01/454463701.db2.gz SGCILHRPCZDQGD-UHFFFAOYSA-N 0 0 328.206 3.135 50 0 EGAARN CCCCc1cn(CC2CCN(C(=O)[C@H]3CC=CCC3)CC2)nn1 ZINC000048368569 454481183 /nfs/dbraw/zinc/48/11/83/454481183.db2.gz ZFMRGTFQKALUOB-KRWDZBQOSA-N 0 0 330.476 3.216 50 0 EGAARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccc4c(c3)OCCO4)C12 ZINC000102737672 454518540 /nfs/dbraw/zinc/51/85/40/454518540.db2.gz OWKJRAVVBNHGSO-OAHLLOKOSA-N 0 0 340.339 3.076 50 0 EGAARN CN(C)c1ccc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 ZINC000049060313 454531239 /nfs/dbraw/zinc/53/12/39/454531239.db2.gz DOLHSSABUCBJTJ-OAHLLOKOSA-N 0 0 348.406 3.323 50 0 EGAARN Cc1ccc(C)c(CNC(=O)C(C)(C)NC(=O)c2cccs2)c1 ZINC000065375855 454555815 /nfs/dbraw/zinc/55/58/15/454555815.db2.gz ZAOXHWIPIVAMPU-UHFFFAOYSA-N 0 0 330.453 3.190 50 0 EGAARN O=C1CCCN1CCCn1cnc(-c2ccccc2)c1[C@@H]1CCOC1 ZINC000065385930 454557647 /nfs/dbraw/zinc/55/76/47/454557647.db2.gz QJURCIAEIONAPU-QGZVFWFLSA-N 0 0 339.439 3.067 50 0 EGAARN CC(=O)Nc1ccc(-n2c(CO)nc3ccccc32)c2cccnc12 ZINC000065397906 454560441 /nfs/dbraw/zinc/56/04/41/454560441.db2.gz HIXPFFHOEVYUSL-UHFFFAOYSA-N 0 0 332.363 3.024 50 0 EGAARN COc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1Cl ZINC000065397345 454560482 /nfs/dbraw/zinc/56/04/82/454560482.db2.gz SUYPMSRPQVQLNZ-GOSISDBHSA-N 0 0 347.842 3.381 50 0 EGAARN Cc1cc(COc2ccccc2)oc1C(=O)N(C)Cc1noc(C)n1 ZINC000065398350 454560560 /nfs/dbraw/zinc/56/05/60/454560560.db2.gz CWNJYXYMXRMPTA-UHFFFAOYSA-N 0 0 341.367 3.131 50 0 EGAARN CCOc1ccc(-c2c[nH]c(Cn3c4ccccc4oc3=O)n2)cc1 ZINC000065404922 454561361 /nfs/dbraw/zinc/56/13/61/454561361.db2.gz DXDYFCVWIAMBRC-UHFFFAOYSA-N 0 0 335.363 3.432 50 0 EGAARN OCc1csc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000065406896 454561630 /nfs/dbraw/zinc/56/16/30/454561630.db2.gz UXOCZCOQMJBOMW-ZWKOTPCHSA-N 0 0 340.448 3.143 50 0 EGAARN Cc1scc(C(=O)N2[C@@H]3CC[C@H]2CNC(=O)C3)c1-c1ccccc1 ZINC000065410557 454562489 /nfs/dbraw/zinc/56/24/89/454562489.db2.gz YKOFBLKBJRNGIP-CABCVRRESA-N 0 0 340.448 3.217 50 0 EGAARN Cc1nc(C(C)C)cc(N2CCC[C@H](OCc3ccccn3)C2)n1 ZINC000065419215 454564163 /nfs/dbraw/zinc/56/41/63/454564163.db2.gz MKDXVCKWCGXMMX-KRWDZBQOSA-N 0 0 326.444 3.489 50 0 EGAARN CC(C)Cc1nc(CC[C@@H]2CCOC2=O)n(-c2ccc(F)cc2)n1 ZINC000065435339 454567216 /nfs/dbraw/zinc/56/72/16/454567216.db2.gz IGVKBNQPZCXVDV-CYBMUJFWSA-N 0 0 331.391 3.101 50 0 EGAARN Clc1ccc(-n2nc(C3CC3)nc2-c2nnc3n2CCCC3)cc1 ZINC000065494178 454577042 /nfs/dbraw/zinc/57/70/42/454577042.db2.gz GGOYACQSAUWCAB-UHFFFAOYSA-N 0 0 340.818 3.393 50 0 EGAARN Cc1cccc(-n2nc(C(C)C)nc2-c2ccc(-n3cnnc3)cc2)n1 ZINC000065491103 454577073 /nfs/dbraw/zinc/57/70/73/454577073.db2.gz NURSHRYEZHPPHG-UHFFFAOYSA-N 0 0 345.410 3.342 50 0 EGAARN Cc1ccc([C@H](C)NC(=O)CN(Cc2cncs2)C2CC2)cc1 ZINC000065500556 454578205 /nfs/dbraw/zinc/57/82/05/454578205.db2.gz ISTFYRGPASEAIO-AWEZNQCLSA-N 0 0 329.469 3.293 50 0 EGAARN COc1ccc(CN(C(=O)[C@H]2CCOC2)C2CCCCC2)cc1OC ZINC000125255624 454808504 /nfs/dbraw/zinc/80/85/04/454808504.db2.gz XOIPOTLVUFEGLP-INIZCTEOSA-N 0 0 347.455 3.402 50 0 EGAARN Cc1cccc2c1CCN2C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000126010094 454863988 /nfs/dbraw/zinc/86/39/88/454863988.db2.gz DHNFFHGUBQPMPS-UHFFFAOYSA-N 0 0 343.452 3.178 50 0 EGAARN CSc1ccc(/C=C/C(=O)NC[C@H](O)Cc2ccccc2)cc1 ZINC000126029963 454864606 /nfs/dbraw/zinc/86/46/06/454864606.db2.gz HMFIQAQDARCPLW-XLNAKTSKSA-N 0 0 327.449 3.142 50 0 EGAARN CN1c2cc(C(=O)NC3CCCCCC3)ccc2C(=O)N2CCC[C@H]21 ZINC000169765933 454931103 /nfs/dbraw/zinc/93/11/03/454931103.db2.gz BKSDKTUMBBDAHK-SFHVURJKSA-N 0 0 341.455 3.151 50 0 EGAARN O=C(CCc1ccccc1)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000244950870 455277817 /nfs/dbraw/zinc/27/78/17/455277817.db2.gz FPNAOKNZJHWJMO-IBGZPJMESA-N 0 0 341.432 3.326 50 0 EGAARN CCCCC[C@@H]1C[C@H](C[C@H](C)C(=O)Nc2nncs2)C(=O)O1 ZINC000245231502 455281195 /nfs/dbraw/zinc/28/11/95/455281195.db2.gz FDPQTDXVQVRNLX-SDDRHHMPSA-N 0 0 325.434 3.015 50 0 EGAARN CCOC(=O)[C@H](O)c1c(-c2ccc(C)cc2)nc2n1C[C@@H](C)CC2 ZINC000601014513 460675151 /nfs/dbraw/zinc/67/51/51/460675151.db2.gz MNAAXBNMVHIKBZ-SCLBCKFNSA-N 0 0 328.412 3.037 50 0 EGAARN CCc1n[nH]c2c1CN(C(=O)c1ccc(N3CCCCC3)cc1)CC2 ZINC000252481194 455808678 /nfs/dbraw/zinc/80/86/78/455808678.db2.gz CIHKMFMHHMYART-UHFFFAOYSA-N 0 0 338.455 3.161 50 0 EGAARN CC[C@H](C(=O)Nc1ccccc1)N(CCO)Cc1ccc(C)s1 ZINC000252488549 455810246 /nfs/dbraw/zinc/81/02/46/455810246.db2.gz IUPBKMMMKGLPBR-QGZVFWFLSA-N 0 0 332.469 3.268 50 0 EGAARN O=C(/C=C/c1ccccc1Cl)NCCn1ccc2ccoc2c1=O ZINC000253471606 455849570 /nfs/dbraw/zinc/84/95/70/455849570.db2.gz DJSNIZLNLDAUMO-AATRIKPKSA-N 0 0 342.782 3.078 50 0 EGAARN COc1ccccc1C(=O)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000253473108 455849685 /nfs/dbraw/zinc/84/96/85/455849685.db2.gz RKMSOMOSNMCMDZ-SFHVURJKSA-N 0 0 343.404 3.016 50 0 EGAARN O=C(/C=C/c1ccco1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 ZINC000253475635 455849837 /nfs/dbraw/zinc/84/98/37/455849837.db2.gz WCCAVYWEMJJQSR-XVJNWHFHSA-N 0 0 335.363 3.359 50 0 EGAARN Cc1ccc2c(=O)cc(C(=O)NC[C@@H]3OCCc4ccccc43)oc2c1 ZINC000219886196 456036412 /nfs/dbraw/zinc/03/64/12/456036412.db2.gz CYUPFUNEIMJABW-FQEVSTJZSA-N 0 0 349.386 3.145 50 0 EGAARN Cc1nc(CCNC(=O)CCCC(=O)c2ccccc2)sc1C ZINC000220451461 456040374 /nfs/dbraw/zinc/04/03/74/456040374.db2.gz DKUVZHYXBATULR-UHFFFAOYSA-N 0 0 330.453 3.472 50 0 EGAARN COc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)ccc1F ZINC000221399212 456043247 /nfs/dbraw/zinc/04/32/47/456043247.db2.gz GRGNUNQKSDGIKG-INIZCTEOSA-N 0 0 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ZINC000082134969 453926301 /nfs/dbraw/zinc/92/63/01/453926301.db2.gz UYFARGMUDKRKMA-QGZVFWFLSA-N 0 0 343.496 3.391 50 0 EGAARN CCCc1cc(C(=O)N(C)Cc2ccc(OC)c3ncccc23)no1 ZINC000082160934 453927148 /nfs/dbraw/zinc/92/71/48/453927148.db2.gz GDSBVCSRBYNUPE-UHFFFAOYSA-N 0 0 339.395 3.456 50 0 EGAARN Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(C(N)=O)cc3)c12 ZINC000036358371 453928147 /nfs/dbraw/zinc/92/81/47/453928147.db2.gz CPJRSUUASCPOSN-UHFFFAOYSA-N 0 0 338.367 3.006 50 0 EGAARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3cc(N)ncn3)C2)cc1 ZINC000067542222 453940833 /nfs/dbraw/zinc/94/08/33/453940833.db2.gz KBIUTQZMMJOLFQ-HNNXBMFYSA-N 0 0 334.427 3.141 50 0 EGAARN COc1ccccc1NC(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O ZINC000040795822 453955102 /nfs/dbraw/zinc/95/51/02/453955102.db2.gz YQMCLPDSMRWQHA-GOSISDBHSA-N 0 0 342.420 3.161 50 0 EGAARN Clc1ccc(CNc2ncnc3c2cnn3-c2ccccn2)cc1 ZINC000041529413 453970708 /nfs/dbraw/zinc/97/07/08/453970708.db2.gz ZFKVLMWHLUJLEO-UHFFFAOYSA-N 0 0 336.786 3.476 50 0 EGAARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)Cc1c(C)nc2ccccn21 ZINC000055343081 453978019 /nfs/dbraw/zinc/97/80/19/453978019.db2.gz LOPNXPQDSJEBRT-CQSZACIVSA-N 0 0 337.427 3.300 50 0 EGAARN Cc1n[nH]c(C)c1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000067982264 453985953 /nfs/dbraw/zinc/98/59/53/453985953.db2.gz RYMSSAGPPQKNPQ-FQEVSTJZSA-N 0 0 337.423 3.497 50 0 EGAARN Cc1noc2ncc(C(=O)N[C@H](C)COc3ccc(F)cc3F)cc12 ZINC000055698237 454007561 /nfs/dbraw/zinc/00/75/61/454007561.db2.gz SFBRWWODYQUACJ-SECBINFHSA-N 0 0 347.321 3.007 50 0 EGAARN Cc1ccc(-n2cc(C(=O)NCc3cccc(Cl)c3)nn2)cc1 ZINC000042882737 454030270 /nfs/dbraw/zinc/03/02/70/454030270.db2.gz BNDBSCLZAHMHPV-UHFFFAOYSA-N 0 0 326.787 3.159 50 0 EGAARN CC1(C)C[C@@H](NC(=O)CCc2ncc(-c3ccccc3)o2)CCO1 ZINC000085875067 454040728 /nfs/dbraw/zinc/04/07/28/454040728.db2.gz FNKJNIKJLDXGDA-HNNXBMFYSA-N 0 0 328.412 3.348 50 0 biogenic EGAARN O=C(NCC[C@H](O)c1cccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000077116648 454064913 /nfs/dbraw/zinc/06/49/13/454064913.db2.gz ABKLBBDMIABHFJ-SFHVURJKSA-N 0 0 349.386 3.422 50 0 EGAARN COC(=O)c1cc(N2CCC(Sc3ccccc3C)CC2)ncn1 ZINC000077287152 454086005 /nfs/dbraw/zinc/08/60/05/454086005.db2.gz WUWICEOUDQDMSH-UHFFFAOYSA-N 0 0 343.452 3.333 50 0 EGAARN COc1ccc(-c2cnc(SCC(N)=O)n2-c2ccccc2)cc1 ZINC000044085332 454088233 /nfs/dbraw/zinc/08/82/33/454088233.db2.gz LSSKQLSWEAVNEK-UHFFFAOYSA-N 0 0 339.420 3.125 50 0 EGAARN COCCC[C@H]1CCCCN1C(=O)c1ccccc1-c1ncc[nH]1 ZINC000077391504 454101203 /nfs/dbraw/zinc/10/12/03/454101203.db2.gz JDVKGDVBEIIPAN-OAHLLOKOSA-N 0 0 327.428 3.498 50 0 EGAARN Cc1cccnc1CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000077394559 454101843 /nfs/dbraw/zinc/10/18/43/454101843.db2.gz CCIOXMWDEPURFC-UHFFFAOYSA-N 0 0 345.450 3.169 50 0 EGAARN C=Cc1cccc(-c2nccn2-c2cccc(-n3nnnc3C)c2)c1 ZINC000077408461 454102475 /nfs/dbraw/zinc/10/24/75/454102475.db2.gz CWIGLCGMLSXJNK-UHFFFAOYSA-N 0 0 328.379 3.466 50 0 EGAARN Cc1c(C)c(=O)oc2c1cc(Cl)c1c2CN(C[C@@H]2CCCO2)CO1 ZINC000057128726 454103988 /nfs/dbraw/zinc/10/39/88/454103988.db2.gz VCMUSMLRLMVJLD-LBPRGKRZSA-N 0 0 349.814 3.394 50 0 EGAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)CCc3ccccn3)C2)c1 ZINC000077455387 454107630 /nfs/dbraw/zinc/10/76/30/454107630.db2.gz VTKSSMWWLDTYQD-OAHLLOKOSA-N 0 0 340.423 3.048 50 0 EGAARN CCCc1cc(C(=O)N(C)Cc2cc(Cl)ccc2OC)n(C)n1 ZINC000077486555 454112031 /nfs/dbraw/zinc/11/20/31/454112031.db2.gz MLIATOGZISQTOO-UHFFFAOYSA-N 0 0 335.835 3.307 50 0 EGAARN C[C@@H](NC(=O)CCn1cncn1)c1ccccc1Oc1ccccc1 ZINC000069513690 454115012 /nfs/dbraw/zinc/11/50/12/454115012.db2.gz PTXAALNFKCVBFA-OAHLLOKOSA-N 0 0 336.395 3.338 50 0 EGAARN Fc1ccc2[nH]c(C3CCN(c4ncnc5c4CCC5)CC3)nc2c1 ZINC000077504859 454115511 /nfs/dbraw/zinc/11/55/11/454115511.db2.gz ZTZFPUZZDXWHGR-UHFFFAOYSA-N 0 0 337.402 3.365 50 0 EGAARN CN1C(=O)CC[C@H](C(=O)N2CCCCCC2)[C@H]1c1ccccc1F ZINC000057355177 454121376 /nfs/dbraw/zinc/12/13/76/454121376.db2.gz CMVOQOMMZJDBCD-MAUKXSAKSA-N 0 0 332.419 3.138 50 0 EGAARN O=S(=O)(c1ccccc1)n1ncc2c1cccc2Br ZINC000089196338 454125276 /nfs/dbraw/zinc/12/52/76/454125276.db2.gz WNXQRTXRZPMBPW-UHFFFAOYSA-N 0 0 337.198 3.036 50 0 EGAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc2cc[nH]c2c1 ZINC000044901377 454125480 /nfs/dbraw/zinc/12/54/80/454125480.db2.gz OZONNXLPBGNXCR-UHFFFAOYSA-N 0 0 344.374 3.030 50 0 EGAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000044902763 454125659 /nfs/dbraw/zinc/12/56/59/454125659.db2.gz WVUNHQUNEMBXGU-AWEZNQCLSA-N 0 0 342.305 3.486 50 0 EGAARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cccc(Cl)c1 ZINC000044917477 454127233 /nfs/dbraw/zinc/12/72/33/454127233.db2.gz GAYLFHRJUVYGPU-UHFFFAOYSA-N 0 0 333.823 3.306 50 0 EGAARN COc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000057472067 454131388 /nfs/dbraw/zinc/13/13/88/454131388.db2.gz BISYYEGRQKIYJQ-UHFFFAOYSA-N 0 0 333.771 3.453 50 0 EGAARN CC(C)(C)NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000057486634 454132528 /nfs/dbraw/zinc/13/25/28/454132528.db2.gz DFAURKYLVBCHDD-UHFFFAOYSA-N 0 0 342.374 3.259 50 0 EGAARN CCN(CC)C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000057486842 454132775 /nfs/dbraw/zinc/13/27/75/454132775.db2.gz YFWNYWWHSSMTKB-UHFFFAOYSA-N 0 0 338.411 3.382 50 0 EGAARN COc1ccccc1-c1nn2c(CN3CCCCCC3)nnc2s1 ZINC000057524561 454134805 /nfs/dbraw/zinc/13/48/05/454134805.db2.gz XONYQPWAHAUWKK-UHFFFAOYSA-N 0 0 343.456 3.237 50 0 EGAARN O=C(NC[C@H](O)c1cccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000070635985 454169932 /nfs/dbraw/zinc/16/99/32/454169932.db2.gz GCJQUQSGCISGGF-KRWDZBQOSA-N 0 0 335.359 3.032 50 0 EGAARN COc1cccc2c1ccn2CCC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000070666491 454170281 /nfs/dbraw/zinc/17/02/81/454170281.db2.gz VPOBLJZFLPQQOJ-AWEZNQCLSA-N 0 0 330.428 3.114 50 0 biogenic EGAARN CCOc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1OCC ZINC000070639630 454170300 /nfs/dbraw/zinc/17/03/00/454170300.db2.gz MQTIPLBCHDIULE-HXUWFJFHSA-N 0 0 343.423 3.122 50 0 EGAARN COc1ccc(F)c(-c2nc(CN(C)CC3(CO)CC3)c(C)o2)c1 ZINC000071589404 454209147 /nfs/dbraw/zinc/20/91/47/454209147.db2.gz DFUVQPOOFNMRMJ-UHFFFAOYSA-N 0 0 334.391 3.002 50 0 EGAARN Cc1ccccc1CC(=O)N1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071524621 454209340 /nfs/dbraw/zinc/20/93/40/454209340.db2.gz AIKFWKLRTHWVAC-LJQANCHMSA-N 0 0 342.483 3.033 50 0 EGAARN Cn1cc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071745639 454212169 /nfs/dbraw/zinc/21/21/69/454212169.db2.gz CZCBTQUCBHBSHX-CYBMUJFWSA-N 0 0 333.382 3.183 50 0 EGAARN NC(=O)[C@H](Cc1ccccc1)n1ccnc1-c1cccc(Cl)c1 ZINC000071752070 454214150 /nfs/dbraw/zinc/21/41/50/454214150.db2.gz MZTPQLSDNIKSHF-INIZCTEOSA-N 0 0 325.799 3.473 50 0 EGAARN Cc1ccc(-c2ccnc(NC[C@H](O)c3ccc(O)cc3)n2)c(C)n1 ZINC000071754291 454214431 /nfs/dbraw/zinc/21/44/31/454214431.db2.gz ZDUOUADFXZQFPJ-SFHVURJKSA-N 0 0 336.395 3.007 50 0 EGAARN Cc1nc(CN(C)C(=O)c2c(C)onc2-c2ccccc2Cl)no1 ZINC000071752814 454214782 /nfs/dbraw/zinc/21/47/82/454214782.db2.gz DQDZOWWWIHUVOE-UHFFFAOYSA-N 0 0 346.774 3.267 50 0 EGAARN COCCc1ncc(-c2nccn2-c2ccc(C)cc2Cl)cn1 ZINC000071757308 454215258 /nfs/dbraw/zinc/21/52/58/454215258.db2.gz AGBWLENGXZLQBC-UHFFFAOYSA-N 0 0 328.803 3.480 50 0 EGAARN COc1ccc([C@H]2C(=O)c3ccc(OC(C)=O)cc3O[C@H]2C)cc1 ZINC000071769238 454216652 /nfs/dbraw/zinc/21/66/52/454216652.db2.gz AMFVHQSSUZTQBM-VOJFVSQTSA-N 0 0 326.348 3.368 50 0 EGAARN FC(F)(F)CCc1ccnc(NCc2ccccc2-n2cncn2)n1 ZINC000071771254 454217344 /nfs/dbraw/zinc/21/73/44/454217344.db2.gz OSFHVKQFOKXZAQ-UHFFFAOYSA-N 0 0 348.332 3.164 50 0 EGAARN Cc1cc(C)n(-c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)n1 ZINC000095477628 454219418 /nfs/dbraw/zinc/21/94/18/454219418.db2.gz FDERNSZFTICQFW-UHFFFAOYSA-N 0 0 349.390 3.148 50 0 EGAARN Cc1cc(-c2nn3c(nnc3-c3snnc3C)s2)sc1C ZINC000095475864 454219712 /nfs/dbraw/zinc/21/97/12/454219712.db2.gz DSSXHDSUCOKVOP-UHFFFAOYSA-N 0 0 334.455 3.358 50 0 EGAARN NC(=O)c1ccc(NC(=O)CC2(n3cccc3)CCCCC2)cc1 ZINC000095474644 454220069 /nfs/dbraw/zinc/22/00/69/454220069.db2.gz UPLAHPKBEPWXDC-UHFFFAOYSA-N 0 0 325.412 3.275 50 0 EGAARN Cc1nc(CCNC(=O)[C@H](C)n2ccnc2C(C)C)sc1Cl ZINC000095496697 454220865 /nfs/dbraw/zinc/22/08/65/454220865.db2.gz ZUNGOONMCWASTA-NSHDSACASA-N 0 0 340.880 3.345 50 0 EGAARN Cc1nn(C)c(C)c1CNC(=O)CC1(n2cccc2)CCCCC1 ZINC000095478684 454221626 /nfs/dbraw/zinc/22/16/26/454221626.db2.gz UOUIFTAIBNXNQS-UHFFFAOYSA-N 0 0 328.460 3.204 50 0 EGAARN CCCn1nc(C)c(CNC(=O)Nc2ccc3c(c2)COC3)c1C ZINC000095520276 454226123 /nfs/dbraw/zinc/22/61/23/454226123.db2.gz ZIAVATDJJSDFBH-UHFFFAOYSA-N 0 0 328.416 3.262 50 0 EGAARN CC(C)OC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095518866 454226812 /nfs/dbraw/zinc/22/68/12/454226812.db2.gz PZOOZLHHJQHFOM-MRXNPFEDSA-N 0 0 328.416 3.051 50 0 EGAARN Fc1ccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc1 ZINC000095525371 454228057 /nfs/dbraw/zinc/22/80/57/454228057.db2.gz FAQVRJPWTUOFLS-INIZCTEOSA-N 0 0 337.402 3.245 50 0 EGAARN Cc1nc([C@@H]2CN(Cc3cc4ccccc4nc3Cl)CCO2)no1 ZINC000095958054 454237683 /nfs/dbraw/zinc/23/76/83/454237683.db2.gz ITEHKJZXTHPDQW-HNNXBMFYSA-N 0 0 344.802 3.153 50 0 EGAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000059740077 454261857 /nfs/dbraw/zinc/26/18/57/454261857.db2.gz RYPXIKAJLHWQQH-CQSZACIVSA-N 0 0 332.444 3.309 50 0 EGAARN CCCc1nnsc1C(=O)NCC[C@@H](O)c1cc2ccccc2o1 ZINC000096097236 454281447 /nfs/dbraw/zinc/28/14/47/454281447.db2.gz NUWYPIRVUYXMFM-CYBMUJFWSA-N 0 0 345.424 3.090 50 0 EGAARN O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCc2ccccc21 ZINC000096122609 454288720 /nfs/dbraw/zinc/28/87/20/454288720.db2.gz QRLONCVWCSPGIB-KRWDZBQOSA-N 0 0 333.391 3.386 50 0 EGAARN Cn1cnnc1SCc1nc(C2CC2)nn1CC1CCCCC1 ZINC000096130483 454289601 /nfs/dbraw/zinc/28/96/01/454289601.db2.gz UGZCRWFRJUVEHU-UHFFFAOYSA-N 0 0 332.477 3.157 50 0 EGAARN COCCN(Cc1ccccc1F)c1nc2c(s1)c(C)nn2C ZINC000096148398 454293287 /nfs/dbraw/zinc/29/32/87/454293287.db2.gz XQSCRQQETFQCIU-UHFFFAOYSA-N 0 0 334.420 3.130 50 0 EGAARN CN(c1ncccc1-c1nc([C@H]2CCOC2)no1)C1CCCCC1 ZINC000096141623 454293377 /nfs/dbraw/zinc/29/33/77/454293377.db2.gz YVIRHRHCSGUHHW-ZDUSSCGKSA-N 0 0 328.416 3.404 50 0 EGAARN CC(=O)Nc1cc(NC(=O)N(C)CCC[C@H]2CCCO2)ccc1F ZINC000096163329 454295529 /nfs/dbraw/zinc/29/55/29/454295529.db2.gz SIBHDLCSAZHNCU-AWEZNQCLSA-N 0 0 337.395 3.207 50 0 EGAARN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)CC(C)(C)C)C3)c1 ZINC000096162699 454295624 /nfs/dbraw/zinc/29/56/24/454295624.db2.gz XEDHQNWRMOIWKK-UHFFFAOYSA-N 0 0 327.428 3.406 50 0 EGAARN COc1ccccc1C1(C(=O)NC[C@H](OC)c2cccc(F)c2)CC1 ZINC000096388293 454320119 /nfs/dbraw/zinc/32/01/19/454320119.db2.gz XQHZHGLAQOFYEX-SFHVURJKSA-N 0 0 343.398 3.370 50 0 EGAARN O=C(NCCc1csc(-n2cccn2)n1)Nc1cccc(Cl)c1 ZINC000090609518 454327193 /nfs/dbraw/zinc/32/71/93/454327193.db2.gz TZXQKLBKEUKELB-UHFFFAOYSA-N 0 0 347.831 3.346 50 0 EGAARN COc1cccc(-c2nsc(NC(=O)c3ccccc3OC)n2)c1 ZINC000061997351 454365095 /nfs/dbraw/zinc/36/50/95/454365095.db2.gz NFSGYLLBNFHZBD-UHFFFAOYSA-N 0 0 341.392 3.475 50 0 EGAARN C[C@@](O)(CCc1ccccc1)CNC(=O)NCc1ccc(F)cc1 ZINC000062021529 454365611 /nfs/dbraw/zinc/36/56/11/454365611.db2.gz CVSGUOLZVIRMMP-LJQANCHMSA-N 0 0 330.403 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Cc1n[nH]c(CCC(=O)NCCCc2nc3ccccc3s2)c1C ZINC000299760243 258077255 /nfs/dbraw/zinc/07/72/55/258077255.db2.gz DURJFDLPOBITPX-UHFFFAOYSA-N 0 0 342.468 3.318 50 0 EGAARN CCc1nccn1CCC(=O)N[C@@H](CC)c1nc2cc(C)ccc2[nH]1 ZINC000299764882 258079952 /nfs/dbraw/zinc/07/99/52/258079952.db2.gz VGXQOSWYRRMMLG-AWEZNQCLSA-N 0 0 339.443 3.288 50 0 EGAARN CSc1ncccc1C(=O)N[C@@H](C)c1nncn1C1CCCC1 ZINC000299765517 258080781 /nfs/dbraw/zinc/08/07/81/258080781.db2.gz HRIVISNHIOLYBT-NSHDSACASA-N 0 0 331.445 3.001 50 0 EGAARN O=C(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000035840269 132390712 /nfs/dbraw/zinc/39/07/12/132390712.db2.gz FUUFFUKDLNCMQK-UHFFFAOYSA-N 0 0 337.398 3.312 50 0 EGAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)c1 ZINC000000101517 135644715 /nfs/dbraw/zinc/64/47/15/135644715.db2.gz BVAYZVVKMGUPOB-UHFFFAOYSA-N 0 0 344.480 3.123 50 0 EGAARN COc1cccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000006715562 135675560 /nfs/dbraw/zinc/67/55/60/135675560.db2.gz BZYZKBRKCYCUHA-UHFFFAOYSA-N 0 0 329.375 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COC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21 ZINC000000090169 452504555 /nfs/dbraw/zinc/50/45/55/452504555.db2.gz JBVOSVDWPUNPFS-UHFFFAOYSA-N 0 0 336.326 3.082 50 0 EGAARN COc1cc(NC(=O)c2ccco2)c(OC)cc1Br ZINC000000117412 452513061 /nfs/dbraw/zinc/51/30/61/452513061.db2.gz JIGMGKJHPKTALR-UHFFFAOYSA-N 0 0 326.146 3.312 50 0 EGAARN CC[C@@H]1CCCCN1C1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O ZINC000000121704 452513982 /nfs/dbraw/zinc/51/39/82/452513982.db2.gz VGPGZWSPFWNOMA-GFCCVEGCSA-N 0 0 348.830 3.283 50 0 EGAARN Cc1cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)no1 ZINC000000126864 452514152 /nfs/dbraw/zinc/51/41/52/452514152.db2.gz ADDMARXETWXAHY-UHFFFAOYSA-N 0 0 348.815 3.407 50 0 EGAARN O=C(CCC(=O)OC[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000000135993 452517386 /nfs/dbraw/zinc/51/73/86/452517386.db2.gz VICNOOXZTXTXBA-NSHDSACASA-N 0 0 346.210 3.434 50 0 EGAARN CCCc1sc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000000139907 452518113 /nfs/dbraw/zinc/51/81/13/452518113.db2.gz KOPRMVWYVCQZAF-AWEZNQCLSA-N 0 0 329.469 3.464 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3.423 50 0 EGAARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000000177591 452526886 /nfs/dbraw/zinc/52/68/86/452526886.db2.gz SABIVXNGVIKWBB-OAHLLOKOSA-N 0 0 334.803 3.454 50 0 EGAARN Nc1nonc1-c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000000172677 452527176 /nfs/dbraw/zinc/52/71/76/452527176.db2.gz JLCUCVSXEOVDHV-UHFFFAOYSA-N 0 0 325.759 3.370 50 0 EGAARN Cc1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccco2)o1 ZINC000000179430 452528744 /nfs/dbraw/zinc/52/87/44/452528744.db2.gz ZXIBKIQFVCTLEX-UHFFFAOYSA-N 0 0 332.381 3.329 50 0 EGAARN CCOC(=O)c1sc(C)c2c1nc(C)n(Cc1ccccc1)c2=O ZINC000000178933 452529331 /nfs/dbraw/zinc/52/93/31/452529331.db2.gz SSSSSRHTQJUDRO-UHFFFAOYSA-N 0 0 342.420 3.300 50 0 EGAARN CC(C)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000000191342 452530675 /nfs/dbraw/zinc/53/06/75/452530675.db2.gz CGWGTXKYGVICMY-UHFFFAOYSA-N 0 0 329.396 3.428 50 0 EGAARN CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc3ccccc3c2)S1 ZINC000000201305 452532621 /nfs/dbraw/zinc/53/26/21/452532621.db2.gz AQJBMHNMOCLGJS-QGZVFWFLSA-N 0 0 327.409 3.015 50 0 EGAARN COc1cccc(NC(=O)CSc2nc3ccccc3n2C)c1 ZINC000000202045 452533683 /nfs/dbraw/zinc/53/36/83/452533683.db2.gz LTORAUVLPMZJQY-UHFFFAOYSA-N 0 0 327.409 3.313 50 0 EGAARN COC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000205388 452535066 /nfs/dbraw/zinc/53/50/66/452535066.db2.gz LCGQEERJQFLNLJ-KRWDZBQOSA-N 0 0 327.405 3.247 50 0 EGAARN Cc1cccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1 ZINC000000206366 452535823 /nfs/dbraw/zinc/53/58/23/452535823.db2.gz IAHXOLUZRDWHFC-UHFFFAOYSA-N 0 0 345.402 3.003 50 0 biogenic EGAARN CCN(CC)c1ccc2cc(C(=O)Nc3nccs3)c(=O)oc2c1 ZINC000000235094 452543987 /nfs/dbraw/zinc/54/39/87/452543987.db2.gz ALKPAGQMBYIONI-UHFFFAOYSA-N 0 0 343.408 3.348 50 0 EGAARN CC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000000246563 452545561 /nfs/dbraw/zinc/54/55/61/452545561.db2.gz HMRSTOSCUQGDRV-UHFFFAOYSA-N 0 0 332.444 3.390 50 0 EGAARN CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000000263725 452549446 /nfs/dbraw/zinc/54/94/46/452549446.db2.gz BZHXRAWMNDMISF-UHFFFAOYSA-N 0 0 337.217 3.067 50 0 EGAARN COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000000267345 452549494 /nfs/dbraw/zinc/54/94/94/452549494.db2.gz AWXPIXJIIGAHDH-UHFFFAOYSA-N 0 0 346.814 3.438 50 0 EGAARN O=C(N/C(=C/c1ccccc1)C(=O)N1CCCCC1)c1ccccc1 ZINC000000275288 452551678 /nfs/dbraw/zinc/55/16/78/452551678.db2.gz BFADWOIEUIYQFR-KNTRCKAVSA-N 0 0 334.419 3.470 50 0 EGAARN COc1cc(C(=O)N2CCCc3ccccc32)cc(OC)c1OC ZINC000000314645 452562762 /nfs/dbraw/zinc/56/27/62/452562762.db2.gz ZNRUHYACSYSCBU-UHFFFAOYSA-N 0 0 327.380 3.305 50 0 EGAARN CCOC(=O)Cc1nnc(Nc2ccc(OC)cc2)c2ccccc12 ZINC000000319798 452563903 /nfs/dbraw/zinc/56/39/03/452563903.db2.gz NOFIASRFFVYWDI-UHFFFAOYSA-N 0 0 337.379 3.488 50 0 EGAARN Cc1cc(-c2ccccc2)nc2cc(C(=O)NCc3ccco3)nn21 ZINC000000317979 452564519 /nfs/dbraw/zinc/56/45/19/452564519.db2.gz UNGNFUOTDLNQJQ-UHFFFAOYSA-N 0 0 332.363 3.228 50 0 EGAARN CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000000359080 452570869 /nfs/dbraw/zinc/57/08/69/452570869.db2.gz SSVKFMONOJEOHS-ZDUSSCGKSA-N 0 0 326.396 3.317 50 0 EGAARN Cc1c(NC(=O)CCCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000365241 452572132 /nfs/dbraw/zinc/57/21/32/452572132.db2.gz KVBBNWBTGFMOLB-UHFFFAOYSA-N 0 0 349.434 3.446 50 0 EGAARN CCOC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C ZINC000000362551 452572170 /nfs/dbraw/zinc/57/21/70/452572170.db2.gz SULCSTASTJWQJZ-UHFFFAOYSA-N 0 0 327.380 3.498 50 0 EGAARN Cc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000000379552 452573530 /nfs/dbraw/zinc/57/35/30/452573530.db2.gz OFUXGPQXMVIDLM-UHFFFAOYSA-N 0 0 346.452 3.017 50 0 EGAARN CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cn1 ZINC000000375797 452573812 /nfs/dbraw/zinc/57/38/12/452573812.db2.gz UXSWFAMXNUJPOA-ZHACJKMWSA-N 0 0 349.438 3.417 50 0 EGAARN COc1cc(CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000000381848 452575539 /nfs/dbraw/zinc/57/55/39/452575539.db2.gz KTUGSNZMUFLARD-UHFFFAOYSA-N 0 0 335.787 3.296 50 0 EGAARN CCCS(=O)(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 ZINC000000385975 452577713 /nfs/dbraw/zinc/57/77/13/452577713.db2.gz HNCGEURPCDITJP-INIZCTEOSA-N 0 0 332.425 3.479 50 0 EGAARN CC(C)(C)[C@@H]1COC(c2cccc(C3=N[C@H](C(C)(C)C)CO3)n2)=N1 ZINC000000386431 452578499 /nfs/dbraw/zinc/57/84/99/452578499.db2.gz UBWMXPSQXYYPJG-GJZGRUSLSA-N 0 0 329.444 3.465 50 0 EGAARN Cc1c2nc(-c3ccccc3O)c(=O)cc-2n(-c2ccccc2)n1C ZINC000000407321 452579365 /nfs/dbraw/zinc/57/93/65/452579365.db2.gz KDIGCEPNQGIISZ-UHFFFAOYSA-N 0 0 331.375 3.357 50 0 EGAARN O[C@H](COc1ccccc1Cl)[C@H](O)COc1ccccc1Cl ZINC000000395354 452579651 /nfs/dbraw/zinc/57/96/51/452579651.db2.gz UQYHABCYHJYORT-ZIAGYGMSSA-N 0 0 343.206 3.173 50 0 EGAARN O=C(CSc1nnc(-c2ccco2)o1)N1CCCc2ccccc21 ZINC000000421927 452584484 /nfs/dbraw/zinc/58/44/84/452584484.db2.gz WBSLUKYKEFJOCN-UHFFFAOYSA-N 0 0 341.392 3.401 50 0 EGAARN COc1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000000420318 452584680 /nfs/dbraw/zinc/58/46/80/452584680.db2.gz AKZBWMRQHZFFOD-UHFFFAOYSA-N 0 0 339.347 3.128 50 0 biogenic EGAARN Cc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)o2)cc1 ZINC000000417820 452584973 /nfs/dbraw/zinc/58/49/73/452584973.db2.gz WKHOJJOTHGLMCY-UHFFFAOYSA-N 0 0 331.441 3.396 50 0 EGAARN COc1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000000426451 452587892 /nfs/dbraw/zinc/58/78/92/452587892.db2.gz CKSZYJVVNAZYDD-UHFFFAOYSA-N 0 0 331.379 3.436 50 0 EGAARN O=C(CSc1nnc(Cc2ccccc2)o1)NC1CCCCC1 ZINC000000428232 452589446 /nfs/dbraw/zinc/58/94/46/452589446.db2.gz DMROAUYCCWZFMM-UHFFFAOYSA-N 0 0 331.441 3.201 50 0 EGAARN O=C(Cc1ccccc1)Nc1cc(N2C(=O)CCC2=O)ccc1Cl ZINC000000451971 452595174 /nfs/dbraw/zinc/59/51/74/452595174.db2.gz YLJCBDACTQDYTF-UHFFFAOYSA-N 0 0 342.782 3.175 50 0 EGAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000000452207 452595492 /nfs/dbraw/zinc/59/54/92/452595492.db2.gz BKPUEBHNZSEWKB-UHFFFAOYSA-N 0 0 345.399 3.301 50 0 EGAARN COc1cc(C(=O)N[C@H](C)CCc2ccccc2)cc(OC)c1OC ZINC000000453848 452596825 /nfs/dbraw/zinc/59/68/25/452596825.db2.gz UENDBSQAOQJPRW-CQSZACIVSA-N 0 0 343.423 3.464 50 0 EGAARN Cc1c(NC(=S)NC2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000000453787 452597256 /nfs/dbraw/zinc/59/72/56/452597256.db2.gz VDYXFDIIMXPTKE-UHFFFAOYSA-N 0 0 344.484 3.104 50 0 EGAARN CC(C)C(NS(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000000459819 452598577 /nfs/dbraw/zinc/59/85/77/452598577.db2.gz AHOMOVPYNCQUAB-UHFFFAOYSA-N 0 0 334.279 3.408 50 0 EGAARN O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)c1cccs1 ZINC000000488672 452606400 /nfs/dbraw/zinc/60/64/00/452606400.db2.gz NZVSQSDQQMNFPJ-ZDUSSCGKSA-N 0 0 331.466 3.385 50 0 biogenic EGAARN COc1ccc2[nH]c3c(ncn(CCc4ccc(F)cc4)c3=O)c2c1 ZINC000000501896 452608917 /nfs/dbraw/zinc/60/89/17/452608917.db2.gz GGESHGWDXSGWJM-UHFFFAOYSA-N 0 0 337.354 3.268 50 0 EGAARN COc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)cc1F ZINC000000506373 452610283 /nfs/dbraw/zinc/61/02/83/452610283.db2.gz BUAPSVLRJYMGMX-UHFFFAOYSA-N 0 0 328.295 3.202 50 0 biogenic EGAARN CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000000524160 452612292 /nfs/dbraw/zinc/61/22/92/452612292.db2.gz NERMGOLFRVSVAQ-UHFFFAOYSA-N 0 0 348.472 3.000 50 0 EGAARN c1cc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc2c1OCO2 ZINC000000527701 452614290 /nfs/dbraw/zinc/61/42/90/452614290.db2.gz VWFLYBOWHWEJAM-UHFFFAOYSA-N 0 0 342.424 3.413 50 0 EGAARN CC[C@@H](C)NC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 ZINC000000525519 452614393 /nfs/dbraw/zinc/61/43/93/452614393.db2.gz FUXRBXJNOLAVFG-GFCCVEGCSA-N 0 0 339.443 3.351 50 0 EGAARN Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1 ZINC000000532180 452616536 /nfs/dbraw/zinc/61/65/36/452616536.db2.gz BRXOJEOPNMGYHG-UHFFFAOYSA-N 0 0 335.795 3.357 50 0 EGAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1 ZINC000000570338 452625682 /nfs/dbraw/zinc/62/56/82/452625682.db2.gz QITJKRBWEICOCO-UHFFFAOYSA-N 0 0 347.465 3.469 50 0 EGAARN Cc1ccc(S(=O)(=O)C[C@@H]2CSc3nc4ccccc4n32)cc1 ZINC000000610065 452629881 /nfs/dbraw/zinc/62/98/81/452629881.db2.gz WRNRNAJPWBNTPX-ZDUSSCGKSA-N 0 0 344.461 3.465 50 0 EGAARN COC(=O)Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000000613886 452631687 /nfs/dbraw/zinc/63/16/87/452631687.db2.gz QJVQEQOXBWKLEU-UHFFFAOYSA-N 0 0 327.380 3.036 50 0 EGAARN NC(=O)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000000619385 452633434 /nfs/dbraw/zinc/63/34/34/452633434.db2.gz JVLRWLDTCSJISL-UHFFFAOYSA-N 0 0 342.196 3.401 50 0 EGAARN Cc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1 ZINC000000616343 452633499 /nfs/dbraw/zinc/63/34/99/452633499.db2.gz BQTQWVIDVRGHDB-UHFFFAOYSA-N 0 0 344.480 3.123 50 0 EGAARN CCOC(=O)[C@H]1CCCN(c2cc(C)c3cc(OC)ccc3n2)C1 ZINC000000758219 452635409 /nfs/dbraw/zinc/63/54/09/452635409.db2.gz GDCDSUVVPQDVTP-AWEZNQCLSA-N 0 0 328.412 3.331 50 0 EGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000000814991 452637528 /nfs/dbraw/zinc/63/75/28/452637528.db2.gz WKWMGVXRYPYZGR-INIZCTEOSA-N 0 0 344.754 3.200 50 0 EGAARN Cc1sc2ncnc(SCC(=O)Nc3nccs3)c2c1C ZINC000000933055 452638738 /nfs/dbraw/zinc/63/87/38/452638738.db2.gz QDKUSGNADRCOSU-UHFFFAOYSA-N 0 0 336.467 3.495 50 0 EGAARN CCc1sc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1Br ZINC000001056185 452642657 /nfs/dbraw/zinc/64/26/57/452642657.db2.gz QUQRNKOOWCFZCH-WCBMZHEXSA-N 0 0 332.263 3.370 50 0 EGAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000001057311 452642819 /nfs/dbraw/zinc/64/28/19/452642819.db2.gz JVFBQAPXHSXUNX-UHFFFAOYSA-N 0 0 333.413 3.017 50 0 EGAARN Cc1ccc([C@@](C)(O)CS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000001388773 452658265 /nfs/dbraw/zinc/65/82/65/452658265.db2.gz AABUGWYIYRPMSD-KRWDZBQOSA-N 0 0 338.856 3.471 50 0 EGAARN COC(=O)c1c2n(c(-c3cccc(Cl)c3)c1C(=O)OC)CCC2 ZINC000001385015 452658681 /nfs/dbraw/zinc/65/86/81/452658681.db2.gz BCRUAZABHTZIND-UHFFFAOYSA-N 0 0 333.771 3.328 50 0 EGAARN NC(=O)COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001398586 452660369 /nfs/dbraw/zinc/66/03/69/452660369.db2.gz OKTZGQLBVAUGAF-UHFFFAOYSA-N 0 0 344.720 3.209 50 0 EGAARN CCOC(=O)c1nnc(-c2cccs2)nc1NCc1ccccc1 ZINC000001397865 452660538 /nfs/dbraw/zinc/66/05/38/452660538.db2.gz UUBNPROXTMBEFU-UHFFFAOYSA-N 0 0 340.408 3.389 50 0 EGAARN O=C(NC1CC1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001396436 452660620 /nfs/dbraw/zinc/66/06/20/452660620.db2.gz WIUQKZYKBALQSV-UHFFFAOYSA-N 0 0 337.206 3.096 50 0 EGAARN Cc1cc2c(c(SCC(=O)Nc3ccc(C)c(C)c3)n1)C(=O)OC2 ZINC000001429271 452663121 /nfs/dbraw/zinc/66/31/21/452663121.db2.gz AHYXFUGTYMEKEY-UHFFFAOYSA-N 0 0 342.420 3.408 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000001466637 452667176 /nfs/dbraw/zinc/66/71/76/452667176.db2.gz OMRTUZRPIYLELV-UHFFFAOYSA-N 0 0 342.782 3.273 50 0 EGAARN CCCOC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001778429 452678187 /nfs/dbraw/zinc/67/81/87/452678187.db2.gz RXCACRFUDSQHQO-UHFFFAOYSA-N 0 0 342.420 3.387 50 0 EGAARN CCc1ccc(NC(=O)CSCC(=O)NC2CCCCC2)cc1 ZINC000001892722 452680478 /nfs/dbraw/zinc/68/04/78/452680478.db2.gz AJJKPUIGMKVWOG-UHFFFAOYSA-N 0 0 334.485 3.370 50 0 EGAARN COCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000001891469 452680917 /nfs/dbraw/zinc/68/09/17/452680917.db2.gz CIXVENHWQOIWJI-KPKJPENVSA-N 0 0 325.364 3.142 50 0 EGAARN CCOC(=O)CCCSc1nc2sc(C)c(C)c2c(N)n1 ZINC000001895691 452681113 /nfs/dbraw/zinc/68/11/13/452681113.db2.gz MOQPJKAEUZRBKT-UHFFFAOYSA-N 0 0 325.459 3.326 50 0 EGAARN COC(=O)CCCCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000002025859 452682789 /nfs/dbraw/zinc/68/27/89/452682789.db2.gz SIUKCEMZOXTUCM-UHFFFAOYSA-N 0 0 348.226 3.222 50 0 EGAARN O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccccc1 ZINC000002062930 452686562 /nfs/dbraw/zinc/68/65/62/452686562.db2.gz VRPJZLGJSGQAEW-UHFFFAOYSA-N 0 0 345.782 3.485 50 0 EGAARN COc1ccc(CC(=O)NCCCCc2ccccc2)cc1OC ZINC000002081689 452686841 /nfs/dbraw/zinc/68/68/41/452686841.db2.gz NVLOFIOBJMMENZ-UHFFFAOYSA-N 0 0 327.424 3.385 50 0 EGAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3F)N2C1=O ZINC000002251265 452690340 /nfs/dbraw/zinc/69/03/40/452690340.db2.gz AHSDNIWAJJBRRY-OCCSQVGLSA-N 0 0 348.399 3.037 50 0 EGAARN Cc1nn2c(nc3c(c2N2CCOCC2)CCC3)c1-c1ccccc1 ZINC000002330853 452691984 /nfs/dbraw/zinc/69/19/84/452691984.db2.gz FIZOQLUEYNCSMZ-UHFFFAOYSA-N 0 0 334.423 3.030 50 0 EGAARN CCCCC[C@@]1(C(=O)OCC)C[C@@](C)(c2csc(N)n2)OC1=O ZINC000002273766 452692844 /nfs/dbraw/zinc/69/28/44/452692844.db2.gz GTZZCEQQNSESGR-HOTGVXAUSA-N 0 0 340.445 3.017 50 0 EGAARN C[C@H]1CCc2sc3nc(NC[C@@H]4CCCO4)n4ncnc4c3c2C1 ZINC000002453223 452698258 /nfs/dbraw/zinc/69/82/58/452698258.db2.gz FEHHOUUIOMQUFK-QWRGUYRKSA-N 0 0 343.456 3.055 50 0 EGAARN CC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CC[C@@H](C)C3 ZINC000002492292 452699260 /nfs/dbraw/zinc/69/92/60/452699260.db2.gz AQGSSXSAEUCIAX-SCZZXKLOSA-N 0 0 336.482 3.189 50 0 EGAARN COCCCNc1c(=O)n(C)c2cccc3c2c1-c1ccccc1C3=O ZINC000002478383 452700287 /nfs/dbraw/zinc/70/02/87/452700287.db2.gz LTDAPTRKLVDOIM-UHFFFAOYSA-N 0 0 348.402 3.198 50 0 biogenic EGAARN O=C1c2ccccc2C(=O)N1Cc1cc(Br)ccc1F ZINC000002567802 452704175 /nfs/dbraw/zinc/70/41/75/452704175.db2.gz BNQNVOUVZHMFCA-UHFFFAOYSA-N 0 0 334.144 3.384 50 0 EGAARN CCn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 ZINC000002721480 452716276 /nfs/dbraw/zinc/71/62/76/452716276.db2.gz DHUZUPIJDXGQSZ-UHFFFAOYSA-N 0 0 337.423 3.184 50 0 EGAARN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc2c(c1)OCO2 ZINC000002729711 452716371 /nfs/dbraw/zinc/71/63/71/452716371.db2.gz PPWASGBYXXYOMI-UHFFFAOYSA-N 0 0 336.347 3.309 50 0 EGAARN COc1cccc(C(=O)N2CCN(CCCc3ccccc3)CC2)c1 ZINC000002760562 452720180 /nfs/dbraw/zinc/72/01/80/452720180.db2.gz WDWLYBJZHCTLCQ-UHFFFAOYSA-N 0 0 338.451 3.086 50 0 biogenic EGAARN CC1(C)C[C@@H](NC(=O)C2CCC2)C[C@@](C)(CNC(=O)C2CCC2)C1 ZINC000002771539 452722579 /nfs/dbraw/zinc/72/25/79/452722579.db2.gz DFQANAGHNDTRAE-OXQOHEQNSA-N 0 0 334.504 3.404 50 0 EGAARN Cc1nn(C)cc1-c1ccnc2c3c(nn21)nc(C(F)(F)F)cc3C ZINC000002788389 452723350 /nfs/dbraw/zinc/72/33/50/452723350.db2.gz LZOXLDFGVIAPTO-UHFFFAOYSA-N 0 0 346.316 3.314 50 0 EGAARN C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)cc1F ZINC000002794204 452723759 /nfs/dbraw/zinc/72/37/59/452723759.db2.gz SSTQKDSUVGTWTK-QMMMGPOBSA-N 0 0 344.159 3.199 50 0 EGAARN CCCN1C=C(C(=O)OC)C(c2cccc(Cl)c2)C(C(=O)OC)=C1 ZINC000002838914 452727868 /nfs/dbraw/zinc/72/78/68/452727868.db2.gz 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ZINC000005298942 452856537 /nfs/dbraw/zinc/85/65/37/452856537.db2.gz AUWSDXWVCFPGTA-VXPUYCOJSA-N 0 0 345.512 3.430 50 0 EGAARN CC(C)[C@@H](C(=O)Nc1ccc(F)cc1)n1cnc2ccccc2c1=O ZINC000005324106 452858867 /nfs/dbraw/zinc/85/88/67/452858867.db2.gz PFYJRDKIUXKQCI-KRWDZBQOSA-N 0 0 339.370 3.371 50 0 EGAARN COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccc(F)cc1)CC3 ZINC000005324380 452859157 /nfs/dbraw/zinc/85/91/57/452859157.db2.gz JOLGFJCOSKRJRU-UHFFFAOYSA-N 0 0 337.354 3.090 50 0 EGAARN O=C1NC(=S)NC1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000005344274 452860127 /nfs/dbraw/zinc/86/01/27/452860127.db2.gz DXFJLDJHNPRFFT-YRNVUSSQSA-N 0 0 338.310 3.311 50 0 EGAARN Cc1cc(C)cc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000005339170 452861276 /nfs/dbraw/zinc/86/12/76/452861276.db2.gz CJRMVPHDDBXMJL-UHFFFAOYSA-N 0 0 344.436 3.096 50 0 EGAARN S=C(NC1CCCCC1)N1CCc2cc3c(cc2C1)OCCCO3 ZINC000005346451 452861568 /nfs/dbraw/zinc/86/15/68/452861568.db2.gz KCWIUHHQMHWMEW-UHFFFAOYSA-N 0 0 346.496 3.413 50 0 EGAARN Cc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1 ZINC000005437273 452870661 /nfs/dbraw/zinc/87/06/61/452870661.db2.gz YSCJHISADVVFAX-HXUWFJFHSA-N 0 0 334.375 3.130 50 0 EGAARN C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)c1ccccc1 ZINC000005573145 452885064 /nfs/dbraw/zinc/88/50/64/452885064.db2.gz NZHLLMLFTCLUPJ-UVIMBBFXSA-N 0 0 338.432 3.134 50 0 EGAARN CCOC(=O)c1cnc(SC)nc1Oc1ccc(NC(C)=O)cc1 ZINC000005710698 452898045 /nfs/dbraw/zinc/89/80/45/452898045.db2.gz RYQHDQCIACGZPP-UHFFFAOYSA-N 0 0 347.396 3.126 50 0 EGAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000005797254 452904292 /nfs/dbraw/zinc/90/42/92/452904292.db2.gz BGMFNJPBCZQWRD-UHFFFAOYSA-N 0 0 347.374 3.398 50 0 EGAARN COc1cc(N2C(=S)N=NC2c2cccnc2)c(OC)cc1Cl ZINC000005910369 452910959 /nfs/dbraw/zinc/91/09/59/452910959.db2.gz SCPWVVFIRMBIPQ-UHFFFAOYSA-N 0 0 348.815 3.289 50 0 EGAARN CCOC(=O)CCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000005979594 452913174 /nfs/dbraw/zinc/91/31/74/452913174.db2.gz RJTSXYSJDAYIQP-UHFFFAOYSA-N 0 0 349.239 3.150 50 0 EGAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1Cl ZINC000006636169 452961998 /nfs/dbraw/zinc/96/19/98/452961998.db2.gz LANJLVRVIAWAAN-UHFFFAOYSA-N 0 0 339.178 3.492 50 0 EGAARN O=c1oc2ccc(Cl)cc2n1Cc1nnc(-c2ccccc2)o1 ZINC000006661815 452965363 /nfs/dbraw/zinc/96/53/63/452965363.db2.gz IXPICJZDDPELAN-UHFFFAOYSA-N 0 0 327.727 3.346 50 0 EGAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccnc3)ccc12 ZINC000006672583 452966694 /nfs/dbraw/zinc/96/66/94/452966694.db2.gz JIBBPMWKGRASEQ-UHFFFAOYSA-N 0 0 338.363 3.158 50 0 EGAARN Cc1nccn1CCc1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000006665395 452966732 /nfs/dbraw/zinc/96/67/32/452966732.db2.gz FBHWLBMAODYQFL-UHFFFAOYSA-N 0 0 349.394 3.166 50 0 EGAARN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000006697415 452969039 /nfs/dbraw/zinc/96/90/39/452969039.db2.gz BVVVKOZPQPODTM-UHFFFAOYSA-N 0 0 346.452 3.342 50 0 EGAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(F)cc3)nc2c1 ZINC000006700770 452971083 /nfs/dbraw/zinc/97/10/83/452971083.db2.gz IEEPQHRFIDDDBR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/17/50/71/453175071.db2.gz WGRFEPVUBFKVLF-UHFFFAOYSA-N 0 0 347.484 3.061 50 0 EGAARN Cc1ccc(CNC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000008190502 453175198 /nfs/dbraw/zinc/17/51/98/453175198.db2.gz BJWBYALTWJGGTF-UHFFFAOYSA-N 0 0 339.370 3.433 50 0 EGAARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O ZINC000008217320 453178118 /nfs/dbraw/zinc/17/81/18/453178118.db2.gz IXLBXNBIOYHQKX-KRWDZBQOSA-N 0 0 334.419 3.475 50 0 EGAARN CC(C)(C)N1C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O ZINC000008218882 453178301 /nfs/dbraw/zinc/17/83/01/453178301.db2.gz XWSANBZFZQYQQA-GOSISDBHSA-N 0 0 342.483 3.115 50 0 EGAARN Cc1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1F ZINC000008260125 453182063 /nfs/dbraw/zinc/18/20/63/453182063.db2.gz RXTNJAIZCAUILD-UHFFFAOYSA-N 0 0 335.762 3.261 50 0 EGAARN COc1ccc(-c2noc(COC(=O)c3ccc(C)s3)n2)cc1 ZINC000008449102 453205606 /nfs/dbraw/zinc/20/56/06/453205606.db2.gz DJWFJQPYBHUUDR-UHFFFAOYSA-N 0 0 330.365 3.472 50 0 EGAARN Cc1ccc2cc(CN(CC(C)C)C(=O)[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000008673165 453222248 /nfs/dbraw/zinc/22/22/48/453222248.db2.gz PTZWSNNLVUNWIL-SFHVURJKSA-N 0 0 342.439 3.000 50 0 EGAARN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000008715438 453227097 /nfs/dbraw/zinc/22/70/97/453227097.db2.gz OXWBSVLVLOWPFX-LBPRGKRZSA-N 0 0 346.290 3.097 50 0 EGAARN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2)S(C)(=O)=O)c1 ZINC000010434248 453292082 /nfs/dbraw/zinc/29/20/82/453292082.db2.gz PCHFVWXGRKKYCL-HNNXBMFYSA-N 0 0 346.452 3.097 50 0 EGAARN Cc1nn(-c2ccccc2)c(N2CCN(c3ccccc3)CC2)c1C=O ZINC000011850755 453334528 /nfs/dbraw/zinc/33/45/28/453334528.db2.gz NIMNCIHPFDRWHC-UHFFFAOYSA-N 0 0 346.434 3.320 50 0 EGAARN COc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CC2)cc1OC ZINC000011899798 453338532 /nfs/dbraw/zinc/33/85/32/453338532.db2.gz ULTUFYMIGWTIFJ-UHFFFAOYSA-N 0 0 343.398 3.233 50 0 EGAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000012380446 453358917 /nfs/dbraw/zinc/35/89/17/453358917.db2.gz 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/nfs/dbraw/zinc/23/28/74/216232874.db2.gz RREAXFHYHHQBLL-AWEZNQCLSA-N 0 0 337.427 3.108 50 0 EGAARN C[C@H](Nc1cc(-c2ccccc2F)nc2ccnn21)c1cnccn1 ZINC000072448251 216238653 /nfs/dbraw/zinc/23/86/53/216238653.db2.gz RKADHKSAYCJAOG-LBPRGKRZSA-N 0 0 334.358 3.499 50 0 EGAARN Cc1nn(CCO)cc1CN(C)Cc1csc(-c2cccs2)n1 ZINC000072453947 216241208 /nfs/dbraw/zinc/24/12/08/216241208.db2.gz HKJCKCHMDMJVDG-UHFFFAOYSA-N 0 0 348.497 3.001 50 0 EGAARN CO[C@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000072454763 216242051 /nfs/dbraw/zinc/24/20/51/216242051.db2.gz PBFSKOWZWWFHOP-IBGZPJMESA-N 0 0 335.407 3.218 50 0 EGAARN CCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072463401 216245819 /nfs/dbraw/zinc/24/58/19/216245819.db2.gz SWBFSXCIVVQPCV-HXUWFJFHSA-N 0 0 343.471 3.003 50 0 EGAARN CCCC[C@H]1c2[nH]cnc2CCN1Cc1cccn1-c1ncccn1 ZINC000072469541 216248631 /nfs/dbraw/zinc/24/86/31/216248631.db2.gz CXKNXNILAMVSTH-KRWDZBQOSA-N 0 0 336.443 3.280 50 0 EGAARN CN(Cc1csc(-c2ccccc2)n1)C(=O)CCc1cnn(C)c1 ZINC000072478437 216256879 /nfs/dbraw/zinc/25/68/79/216256879.db2.gz BNILXEUJIXPWQZ-UHFFFAOYSA-N 0 0 340.452 3.135 50 0 EGAARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)CCCc3cn[nH]c3)nc2c1 ZINC000072473907 216251942 /nfs/dbraw/zinc/25/19/42/216251942.db2.gz CKQWZETULYSPBH-KRWDZBQOSA-N 0 0 337.427 3.281 50 0 EGAARN CC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1nc(C)no1 ZINC000072475225 216252396 /nfs/dbraw/zinc/25/23/96/216252396.db2.gz OWFMGBLFYRFYNJ-ZDUSSCGKSA-N 0 0 341.419 3.276 50 0 EGAARN Cc1nn2c(nc(-c3ccccc3)cc2NCCCn2cncn2)c1C ZINC000072474891 216253038 /nfs/dbraw/zinc/25/30/38/216253038.db2.gz SQSKXYKXKFQDRZ-UHFFFAOYSA-N 0 0 347.426 3.107 50 0 EGAARN CSCC[C@@H](CO)Nc1cc(-c2ccccc2)nc2cc(C)nn21 ZINC000072475055 216253086 /nfs/dbraw/zinc/25/30/86/216253086.db2.gz KXUQUOBEPYHGIM-HNNXBMFYSA-N 0 0 342.468 3.231 50 0 EGAARN COc1ccc(-c2noc(-c3sc4[nH]cnc(=O)c4c3C)n2)cc1 ZINC000073667180 216410905 /nfs/dbraw/zinc/41/09/05/216410905.db2.gz XWZOEXNSDJUKTH-UHFFFAOYSA-N 0 0 340.364 3.019 50 0 EGAARN CC[C@H](O)Cn1ccc(-c2cccc(-c3ccnc(SC)n3)c2)n1 ZINC000023310669 212367226 /nfs/dbraw/zinc/36/72/26/212367226.db2.gz PADIKLCQZYKHDP-HNNXBMFYSA-N 0 0 340.452 3.500 50 0 EGAARN Cc1nc2sc([C@H](c3ccccc3)[NH+]3CCCCC3)c([O-])n2n1 ZINC000023156755 212356813 /nfs/dbraw/zinc/35/68/13/212356813.db2.gz RQTPOMUHFVWPQS-AWEZNQCLSA-N 0 0 328.441 3.380 50 0 EGAARN CCCOc1c(Cl)cc(/C=C2/SC(=N)NC2=O)cc1OC ZINC000023128329 212352101 /nfs/dbraw/zinc/35/21/01/212352101.db2.gz KCLSBZRFVYSTKQ-YRNVUSSQSA-N 0 0 326.805 3.276 50 0 EGAARN c1ccc(C[C@@H]2CN(Cc3nc4c(s3)CCCC4)CCO2)cc1 ZINC000023129193 212351784 /nfs/dbraw/zinc/35/17/84/212351784.db2.gz ZSMLPYCRLXGLAQ-MRXNPFEDSA-N 0 0 328.481 3.465 50 0 EGAARN CCCC(=O)N(CCN1CCOCC1)c1nc2c(cccc2C)s1 ZINC000022998211 212341670 /nfs/dbraw/zinc/34/16/70/212341670.db2.gz ITFREGVBANOUCP-UHFFFAOYSA-N 0 0 347.484 3.070 50 0 EGAARN CSc1cccc(NC(=O)C(=O)NCC2(c3cccs3)CC2)c1 ZINC000022682660 212316315 /nfs/dbraw/zinc/31/63/15/212316315.db2.gz AXTPLSNZKZLRGM-UHFFFAOYSA-N 0 0 346.477 3.257 50 0 EGAARN Cc1cc(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)no1 ZINC000075165895 216593902 /nfs/dbraw/zinc/59/39/02/216593902.db2.gz ADOGSJUOCKWRED-LSDHHAIUSA-N 0 0 343.383 3.273 50 0 EGAARN c1ccc(COc2ccc(OCCCN3CCOCC3)cc2)cc1 ZINC000022309789 212288294 /nfs/dbraw/zinc/28/82/94/212288294.db2.gz CVWYLXFIHMXYFB-UHFFFAOYSA-N 0 0 327.424 3.367 50 0 EGAARN c1nnnn1-c1cccc(-c2csc(NCc3ccccc3)n2)c1 ZINC000211137596 241082152 /nfs/dbraw/zinc/08/21/52/241082152.db2.gz YNRXXVGLJUQKFK-UHFFFAOYSA-N 0 0 334.408 3.398 50 0 EGAARN COCCn1ccnc1CN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000215007906 241099858 /nfs/dbraw/zinc/09/98/58/241099858.db2.gz HNZCGQJUFOZJHW-KRWDZBQOSA-N 0 0 339.443 3.133 50 0 EGAARN OCc1ccc2c(c1)CN(Cc1ccc([C@H]3CCCCO3)o1)CCO2 ZINC000215090435 241104118 /nfs/dbraw/zinc/10/41/18/241104118.db2.gz NTNMUFGUXQRQAB-LJQANCHMSA-N 0 0 343.423 3.408 50 0 EGAARN CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ccccn2)nc(N)n1 ZINC000215189715 241111936 /nfs/dbraw/zinc/11/19/36/241111936.db2.gz QWRNOPQUPUYNOO-KRWDZBQOSA-N 0 0 339.443 3.020 50 0 EGAARN O=C(NC[C@@H]1CCCN1c1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000207992677 241065566 /nfs/dbraw/zinc/06/55/66/241065566.db2.gz HRKYPNYRNNXGMX-HNNXBMFYSA-N 0 0 336.395 3.069 50 0 EGAARN O=C(c1cnn(Cc2ccccc2)c1)N(Cc1cccc(O)c1)C1CC1 ZINC000215723722 241140526 /nfs/dbraw/zinc/14/05/26/241140526.db2.gz KPLHWNUOZQFEQD-UHFFFAOYSA-N 0 0 347.418 3.442 50 0 EGAARN Cc1noc(CC2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000215759256 241142731 /nfs/dbraw/zinc/14/27/31/241142731.db2.gz KICWWRSHQAECCH-UHFFFAOYSA-N 0 0 349.818 3.215 50 0 EGAARN COc1cccc([C@H]2CCN2C(=O)c2ccc(Cn3cccn3)o2)c1 ZINC000216162522 241170481 /nfs/dbraw/zinc/17/04/81/241170481.db2.gz NDFUVRAKRUIBSM-QGZVFWFLSA-N 0 0 337.379 3.120 50 0 EGAARN CN(Cc1cnc2ccccc2n1)C(=O)Cc1ccc(O)c(Cl)c1 ZINC000216323574 241181882 /nfs/dbraw/zinc/18/18/82/241181882.db2.gz LUASBYRFZLAZRP-UHFFFAOYSA-N 0 0 341.798 3.190 50 0 EGAARN CCN(Cc1ccncc1)Cc1cc2c(cc1OC)OCCCO2 ZINC000216424417 241190616 /nfs/dbraw/zinc/19/06/16/241190616.db2.gz BMGDAGAKFICVRU-UHFFFAOYSA-N 0 0 328.412 3.274 50 0 EGAARN Cc1oc(C(C)C)cc1C(=O)NCCc1nc(-c2ccccn2)no1 ZINC000219270539 241372581 /nfs/dbraw/zinc/37/25/81/241372581.db2.gz CMWCRFILOAUKKF-UHFFFAOYSA-N 0 0 340.383 3.129 50 0 EGAARN Nc1nc(CCNC(=O)c2ccccc2Oc2ccccc2)cs1 ZINC000219324815 241378929 /nfs/dbraw/zinc/37/89/29/241378929.db2.gz CABVJOOLSSDASN-UHFFFAOYSA-N 0 0 339.420 3.490 50 0 EGAARN C[C@@H](Cn1cccn1)NC(=O)Cc1ccc2c(c1)c1ccccc1n2C ZINC000219874583 241415395 /nfs/dbraw/zinc/41/53/95/241415395.db2.gz OIVQIJKZSXNPFH-HNNXBMFYSA-N 0 0 346.434 3.275 50 0 EGAARN Cc1ccc(OCc2ccc(C(=O)NCCc3cn[nH]c3)cc2)cc1 ZINC000220507707 241443754 /nfs/dbraw/zinc/44/37/54/241443754.db2.gz RVSZCKGHEJSNGY-UHFFFAOYSA-N 0 0 335.407 3.270 50 0 EGAARN O=C(COc1ccccc1Cl)Nc1noc(-c2ccccc2)n1 ZINC000021800331 212251118 /nfs/dbraw/zinc/25/11/18/212251118.db2.gz HKSRXQLVNMJZBG-UHFFFAOYSA-N 0 0 329.743 3.408 50 0 EGAARN OC1CC(c2cc(N3CCC4(C=Cc5ccccc54)CC3)ncn2)C1 ZINC000223635799 241672690 /nfs/dbraw/zinc/67/26/90/241672690.db2.gz ASIKOXMTTVHONC-UHFFFAOYSA-N 0 0 333.435 3.280 50 0 EGAARN CSCCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000020916864 212187940 /nfs/dbraw/zinc/18/79/40/212187940.db2.gz VCGDKDLEVJAEOJ-CQSZACIVSA-N 0 0 347.402 3.228 50 0 EGAARN Cc1cc(C)n2nc(C(=O)NCCSC3CCCCC3)cc2n1 ZINC000244574877 243042183 /nfs/dbraw/zinc/04/21/83/243042183.db2.gz CSUSVKIDHIOEEF-UHFFFAOYSA-N 0 0 332.473 3.142 50 0 EGAARN O=C(Cn1ccc2ccccc21)NCc1nncn1C1CCCCC1 ZINC000244718828 243067310 /nfs/dbraw/zinc/06/73/10/243067310.db2.gz LRLJDYXSLXZKKH-UHFFFAOYSA-N 0 0 337.427 3.054 50 0 EGAARN COCCOC1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000244816986 243085354 /nfs/dbraw/zinc/08/53/54/243085354.db2.gz SSHPMGGIIMEJIB-UHFFFAOYSA-N 0 0 343.876 3.086 50 0 EGAARN Cc1ccc(C2(O)CCN(Cc3nc4cc(C)ccc4[nH]3)CC2)nc1 ZINC000244874987 243094477 /nfs/dbraw/zinc/09/44/77/243094477.db2.gz XKNQMNQPHZJICP-UHFFFAOYSA-N 0 0 336.439 3.058 50 0 EGAARN Clc1c(OCCOCCN2CCOCC2)ccc2ccccc21 ZINC000020653539 212159703 /nfs/dbraw/zinc/15/97/03/212159703.db2.gz PXNGFQHQRGTZBK-UHFFFAOYSA-N 0 0 335.831 3.221 50 0 EGAARN CC(=O)c1ccc(F)c(-c2cccc(-c3ccn(CC(N)=O)n3)c2)c1 ZINC000020538939 212145722 /nfs/dbraw/zinc/14/57/22/212145722.db2.gz COTWXLOZUDSLEA-UHFFFAOYSA-N 0 0 337.354 3.044 50 0 EGAARN CCNc1nc(C)c(C(=O)N(C)Cc2c(C)nc3ccccn32)s1 ZINC000252508604 243835186 /nfs/dbraw/zinc/83/51/86/243835186.db2.gz XPTVBXFSPSNXMB-UHFFFAOYSA-N 0 0 343.456 3.112 50 0 EGAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)NC1CCCC1 ZINC000253402769 243909648 /nfs/dbraw/zinc/90/96/48/243909648.db2.gz OQPTVOGAMOHNPZ-INIZCTEOSA-N 0 0 336.482 3.287 50 0 EGAARN CC1CCN([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000020458857 212133149 /nfs/dbraw/zinc/13/31/49/212133149.db2.gz HDJWVMWGPJVYLB-AWEZNQCLSA-N 0 0 341.238 3.357 50 0 EGAARN Cc1c[nH]c(CN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1=O ZINC000253536863 244017077 /nfs/dbraw/zinc/01/70/77/244017077.db2.gz QGFJSLCANIFPJM-UHFFFAOYSA-N 0 0 331.847 3.380 50 0 EGAARN C[C@@H](O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253612046 244036766 /nfs/dbraw/zinc/03/67/66/244036766.db2.gz XGUQCUDPXSTKLI-CXYGEXQVSA-N 0 0 334.500 3.422 50 0 EGAARN CC(=O)c1cccc(CN2CCO[C@H](Cc3cccc(F)c3)C2)c1 ZINC000020454768 212132374 /nfs/dbraw/zinc/13/23/74/212132374.db2.gz XGUSZEVBFWMTHC-HXUWFJFHSA-N 0 0 327.399 3.472 50 0 EGAARN Cc1ccccc1NC(=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000020418836 212126238 /nfs/dbraw/zinc/12/62/38/212126238.db2.gz LQSCKFYLNDZKCJ-UHFFFAOYSA-N 0 0 327.403 3.484 50 0 EGAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2F)cc1 ZINC000020398115 212124746 /nfs/dbraw/zinc/12/47/46/212124746.db2.gz ZPNRDVYALKJWCS-QGZVFWFLSA-N 0 0 326.371 3.377 50 0 EGAARN Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000020294455 212116328 /nfs/dbraw/zinc/11/63/28/212116328.db2.gz NIWYHOQJXZDUMB-IRXDYDNUSA-N 0 0 337.423 3.228 50 0 EGAARN CN1CCN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1 ZINC000020220111 212113955 /nfs/dbraw/zinc/11/39/55/212113955.db2.gz QMSQTRUVGXQSBU-UHFFFAOYSA-N 0 0 344.842 3.307 50 0 EGAARN Clc1cc(Br)ccc1OCCCN1CCOCC1 ZINC000020118224 212103022 /nfs/dbraw/zinc/10/30/22/212103022.db2.gz WRBAMCNZONKTIH-UHFFFAOYSA-N 0 0 334.641 3.204 50 0 EGAARN Cc1ccc(OC[C@H]2CCCN(C(=O)c3c(Cl)cnn3C)C2)cc1 ZINC000077341982 216875797 /nfs/dbraw/zinc/87/57/97/216875797.db2.gz WZMQRHTYLKHBDJ-AWEZNQCLSA-N 0 0 347.846 3.313 50 0 EGAARN C[C@H](NC(=O)c1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1 ZINC000019910391 212082678 /nfs/dbraw/zinc/08/26/78/212082678.db2.gz LXNDTRRFLKUZEF-LBPRGKRZSA-N 0 0 326.787 3.412 50 0 EGAARN O=C(c1cc(F)ccc1F)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077422955 216900587 /nfs/dbraw/zinc/90/05/87/216900587.db2.gz RUEDESUQEUFYNP-IBGZPJMESA-N 0 0 345.389 3.421 50 0 EGAARN C[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)c1ccc(F)cc1 ZINC000019894104 212079869 /nfs/dbraw/zinc/07/98/69/212079869.db2.gz DELKHQOLDUKAKC-MRXNPFEDSA-N 0 0 326.415 3.215 50 0 EGAARN O=C([C@H]1CCC(=O)N(Cc2ccccc2F)C1)N1CCCCCCC1 ZINC000019884010 212079955 /nfs/dbraw/zinc/07/99/55/212079955.db2.gz GQXXYKZFQQCWDI-KRWDZBQOSA-N 0 0 346.446 3.357 50 0 EGAARN Cc1nc2sc3c(c2c(NCCCN2CCOCC2)n1)CCCC3 ZINC000019902820 212081667 /nfs/dbraw/zinc/08/16/67/212081667.db2.gz FQDUGMASAWWKSH-UHFFFAOYSA-N 0 0 346.500 3.013 50 0 EGAARN O=C(CCc1ccncc1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000077455250 216907471 /nfs/dbraw/zinc/90/74/71/216907471.db2.gz OEIIOVAOWJATRP-UHFFFAOYSA-N 0 0 328.387 3.223 50 0 EGAARN COc1cccc([C@H]2CCCN2C(=O)c2cn3ccsc3n2)c1 ZINC000077505910 216924390 /nfs/dbraw/zinc/92/43/90/216924390.db2.gz DVXMVBBWMRGODQ-OAHLLOKOSA-N 0 0 327.409 3.382 50 0 EGAARN COc1cc(-c2cccc(-c3ccn(Cc4ccncc4)n3)c2)ncn1 ZINC000019744255 212060469 /nfs/dbraw/zinc/06/04/69/212060469.db2.gz GNMORJBSOPTFQR-UHFFFAOYSA-N 0 0 343.390 3.459 50 0 EGAARN Cc1ccc(F)c(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)c1 ZINC000019228826 212006669 /nfs/dbraw/zinc/00/66/69/212006669.db2.gz VCEWAMAXZJCMRS-SFHVURJKSA-N 0 0 328.387 3.115 50 0 EGAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1OCC ZINC000017315517 211965050 /nfs/dbraw/zinc/96/50/50/211965050.db2.gz NKMWIGWODVYGHT-UHFFFAOYSA-N 0 0 340.379 3.231 50 0 EGAARN COc1cc(CCC(=O)Nc2ccc3[nH]c(CC(C)C)nc3c2)on1 ZINC000079476568 217230788 /nfs/dbraw/zinc/23/07/88/217230788.db2.gz GBHKJAXFKDSGNO-UHFFFAOYSA-N 0 0 342.399 3.329 50 0 EGAARN CC[C@H](CCS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1F ZINC000080345765 217299290 /nfs/dbraw/zinc/29/92/90/217299290.db2.gz LDJLANPZUXVPLV-CQSZACIVSA-N 0 0 349.427 3.198 50 0 EGAARN COc1cc(C)ccc1OCc1nc(C(=O)NC2CCCC2)co1 ZINC000014972207 211779958 /nfs/dbraw/zinc/77/99/58/211779958.db2.gz OVCKRIFIIZYXGX-UHFFFAOYSA-N 0 0 330.384 3.243 50 0 EGAARN CC[C@H]1CCCCN1C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000014950935 211775255 /nfs/dbraw/zinc/77/52/55/211775255.db2.gz JEBOKQLWASZSPV-HNNXBMFYSA-N 0 0 332.835 3.385 50 0 EGAARN COc1ccccc1OC1CN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000082096547 217463642 /nfs/dbraw/zinc/46/36/42/217463642.db2.gz KFBFRRPNZOVNOG-UHFFFAOYSA-N 0 0 335.762 3.391 50 0 EGAARN CCCc1cc(C(=O)NCc2c(F)ccc(Cl)c2F)n(C)n1 ZINC000082097980 217465349 /nfs/dbraw/zinc/46/53/49/217465349.db2.gz BKEHUCVPHLWHOC-UHFFFAOYSA-N 0 0 327.762 3.234 50 0 EGAARN COCc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 ZINC000013942618 211658529 /nfs/dbraw/zinc/65/85/29/211658529.db2.gz VUDYPFCTZHVTTE-UHFFFAOYSA-N 0 0 343.861 3.210 50 0 EGAARN Cc1nccn1-c1ncc(NC(=O)c2ccc(C(F)(F)F)cc2)cn1 ZINC000085470425 217670518 /nfs/dbraw/zinc/67/05/18/217670518.db2.gz NHVRIFCTCLLUNM-UHFFFAOYSA-N 0 0 347.300 3.242 50 0 EGAARN O=C(Cc1cccc2ccccc21)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000085559235 217677529 /nfs/dbraw/zinc/67/75/29/217677529.db2.gz ZPISXXNVYRLEQK-HXUWFJFHSA-N 0 0 347.414 3.167 50 0 EGAARN CCOc1c(C)cc(S(=O)(=O)NCc2ccsc2)cc1C ZINC000013725057 211622823 /nfs/dbraw/zinc/62/28/23/211622823.db2.gz HZFHALBICJIABP-UHFFFAOYSA-N 0 0 325.455 3.242 50 0 EGAARN COc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000013323069 211544180 /nfs/dbraw/zinc/54/41/80/211544180.db2.gz PZDXRYYHKPZJCU-UHFFFAOYSA-N 0 0 330.340 3.119 50 0 EGAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)c(C)c1 ZINC000013124464 211524063 /nfs/dbraw/zinc/52/40/63/211524063.db2.gz GEWHOMBULHINQF-INIZCTEOSA-N 0 0 334.379 3.175 50 0 EGAARN O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCSCC1 ZINC000013655946 284689834 /nfs/dbraw/zinc/68/98/34/284689834.db2.gz UDCXXGUTBDOMHS-UHFFFAOYSA-N 0 0 329.450 3.276 50 0 EGAARN COC(=O)[C@@H](Cc1ccccc1)c1cc(=O)oc2cc(OC)ccc21 ZINC000012899839 211478917 /nfs/dbraw/zinc/47/89/17/211478917.db2.gz YHCDGNNGGJNAJT-KRWDZBQOSA-N 0 0 338.359 3.301 50 0 biogenic EGAARN CCSc1ccccc1C(=O)Nc1nnc(-c2cc(C)n(C)n2)o1 ZINC000012443090 211385183 /nfs/dbraw/zinc/38/51/83/211385183.db2.gz BIJDXJMAJCPEMC-UHFFFAOYSA-N 0 0 343.412 3.143 50 0 EGAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccn(C)n1 ZINC000012444382 211384932 /nfs/dbraw/zinc/38/49/32/211384932.db2.gz FXUQNKFCTZJFNN-UHFFFAOYSA-N 0 0 341.392 3.188 50 0 EGAARN CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000012379393 211360052 /nfs/dbraw/zinc/36/00/52/211360052.db2.gz MJZDKGHCXGQLSO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/30/26/60/211302660.db2.gz WSSQPDBBPRFFMK-UHFFFAOYSA-N 0 0 326.396 3.152 50 0 EGAARN COc1ccccc1NC(=O)CCC(=O)OCCc1ccccc1 ZINC000012138167 211302230 /nfs/dbraw/zinc/30/22/30/211302230.db2.gz RRBWVPSSZCOFJG-UHFFFAOYSA-N 0 0 327.380 3.200 50 0 EGAARN CCCN(C[C@H]1CCCO1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000012075984 211286626 /nfs/dbraw/zinc/28/66/26/211286626.db2.gz ZFELIXSAXYYPGZ-MRXNPFEDSA-N 0 0 343.427 3.087 50 0 EGAARN COC(=O)CNC(=O)C[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000012050385 211283455 /nfs/dbraw/zinc/28/34/55/211283455.db2.gz BIGQXGIHHGCIBK-MRXNPFEDSA-N 0 0 331.799 3.151 50 0 EGAARN Cc1nonc1[C@@H]1CCCN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000091381851 218000110 /nfs/dbraw/zinc/00/01/10/218000110.db2.gz XOEQBSXUQJSYKF-AWEZNQCLSA-N 0 0 329.404 3.126 50 0 EGAARN O=C(N1CCC[C@](CO)(CC2CC2)C1)C1(c2ccccc2F)CC1 ZINC000091382072 218000182 /nfs/dbraw/zinc/00/01/82/218000182.db2.gz XPOIIEGIQPYZPU-IBGZPJMESA-N 0 0 331.431 3.259 50 0 EGAARN COc1ccc(-c2noc(CN(C)CC[C@@H]3CCCCO3)n2)cc1 ZINC000011949034 211274225 /nfs/dbraw/zinc/27/42/25/211274225.db2.gz UMEXASRKXFGCSB-INIZCTEOSA-N 0 0 331.416 3.136 50 0 EGAARN COc1ccc(C[C@H]2CN(C(=O)c3sccc3C)CCO2)cc1 ZINC000011957446 211274097 /nfs/dbraw/zinc/27/40/97/211274097.db2.gz ZKAOPCJYQNIKDO-INIZCTEOSA-N 0 0 331.437 3.149 50 0 EGAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000011933989 211271519 /nfs/dbraw/zinc/27/15/19/211271519.db2.gz PCZVZCWYDDUDJD-TXEJJXNPSA-N 0 0 334.370 3.008 50 0 EGAARN C[C@H](c1nccs1)N(C)c1nc2nonc2nc1NC1CCCC1 ZINC000011934330 211271081 /nfs/dbraw/zinc/27/10/81/211271081.db2.gz RIJCHIKJGWQAEX-SECBINFHSA-N 0 0 345.432 3.021 50 0 EGAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCCc1csc(N)n1 ZINC000091441572 218006267 /nfs/dbraw/zinc/00/62/67/218006267.db2.gz BCLINJMQQLEEMO-UHFFFAOYSA-N 0 0 328.441 3.104 50 0 EGAARN CC[C@@H](C(=O)N(C)Cc1ccc(OC)c2ncccc12)n1cccn1 ZINC000091461281 218010085 /nfs/dbraw/zinc/01/00/85/218010085.db2.gz RNIPDUZVSAJKQW-INIZCTEOSA-N 0 0 338.411 3.050 50 0 EGAARN C[C@@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1ccc(Cl)cc1 ZINC000011902900 211265161 /nfs/dbraw/zinc/26/51/61/211265161.db2.gz AJDVRVBWIUMHBP-SECBINFHSA-N 0 0 349.843 3.031 50 0 EGAARN CCc1c(C)nn(CCNC(=O)c2ccc([C@@H]3CCCO3)s2)c1C ZINC000091625552 218034065 /nfs/dbraw/zinc/03/40/65/218034065.db2.gz BEBCVMYTNGBLLG-HNNXBMFYSA-N 0 0 347.484 3.405 50 0 EGAARN COCCn1ccnc1[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000091625251 218034106 /nfs/dbraw/zinc/03/41/06/218034106.db2.gz BTWJWQWIZAOJGP-KRWDZBQOSA-N 0 0 336.439 3.462 50 0 EGAARN Cc1nc2cc(OCc3nc(C(=O)N4CCCC4)co3)ccc2s1 ZINC000011879203 211263455 /nfs/dbraw/zinc/26/34/55/211263455.db2.gz UYEVYRLLIWLHMQ-UHFFFAOYSA-N 0 0 343.408 3.408 50 0 EGAARN CCn1nc(C(C)C)cc1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000091535883 218019551 /nfs/dbraw/zinc/01/95/51/218019551.db2.gz ABZMZQMXRSDJGS-UHFFFAOYSA-N 0 0 343.427 3.118 50 0 EGAARN COc1cccc(CCC(=O)N2CCC[C@@](CO)(CC3CC3)C2)c1 ZINC000091587373 218027239 /nfs/dbraw/zinc/02/72/39/218027239.db2.gz AGAVAABWXJTHBI-HXUWFJFHSA-N 0 0 331.456 3.029 50 0 EGAARN CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2ccon2)CC1 ZINC000011818576 211252909 /nfs/dbraw/zinc/25/29/09/211252909.db2.gz LPJWRLOWUCMDSA-UHFFFAOYSA-N 0 0 346.402 3.202 50 0 EGAARN COc1nc2c(cc1C(=O)N1CCC[C@H]1c1nccs1)CCC2 ZINC000091691584 218047848 /nfs/dbraw/zinc/04/78/48/218047848.db2.gz ARKKZNAIOJCWQW-AWEZNQCLSA-N 0 0 329.425 3.013 50 0 EGAARN CCOc1cccc2sc(NC(=O)c3cc(C)nn3CC)nc21 ZINC000011696034 211238409 /nfs/dbraw/zinc/23/84/09/211238409.db2.gz FXFFVGZOTBLYAM-UHFFFAOYSA-N 0 0 330.413 3.472 50 0 EGAARN COc1ccc2nc(-c3cccc(NC(=O)c4ccco4)c3)cn2n1 ZINC000011693388 211237024 /nfs/dbraw/zinc/23/70/24/211237024.db2.gz WHVNBPFMWWTSLE-UHFFFAOYSA-N 0 0 334.335 3.250 50 0 EGAARN Fc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1F ZINC000011813358 211249660 /nfs/dbraw/zinc/24/96/60/211249660.db2.gz UHTFTJULMUDWBX-UHFFFAOYSA-N 0 0 340.377 3.282 50 0 EGAARN Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)o1 ZINC000091644416 218037516 /nfs/dbraw/zinc/03/75/16/218037516.db2.gz 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/nfs/dbraw/zinc/07/74/10/218077410.db2.gz UORGXIFVWFSQOF-SFHVURJKSA-N 0 0 333.439 3.414 50 0 EGAARN CN(C[C@H]1COCCO1)C(=O)c1sc2cccc(F)c2c1Cl ZINC000091987153 218099076 /nfs/dbraw/zinc/09/90/76/218099076.db2.gz ZUXZMRJJOZRPLF-VIFPVBQESA-N 0 0 343.807 3.181 50 0 EGAARN Fc1cccc(Cl)c1Cn1nc(Cn2cncn2)nc1C1CCC1 ZINC000091997535 218101275 /nfs/dbraw/zinc/10/12/75/218101275.db2.gz NCAFLIHNDWZGBQ-UHFFFAOYSA-N 0 0 346.797 3.026 50 0 EGAARN COc1cccc(-c2n[nH]cc2C(=O)N(C)CCC[C@@H]2CCCO2)c1 ZINC000092078275 218115705 /nfs/dbraw/zinc/11/57/05/218115705.db2.gz QOIFEGAEWHXXAN-OAHLLOKOSA-N 0 0 343.427 3.117 50 0 EGAARN COc1ccc2c(c1)OC[C@H](C(=O)NCCSC1CCCCC1)C2 ZINC000092080430 218117772 /nfs/dbraw/zinc/11/77/72/218117772.db2.gz HDHQPZWFKACMOZ-OAHLLOKOSA-N 0 0 349.496 3.428 50 0 EGAARN Cc1nc(C(C)C)sc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000092046496 218110548 /nfs/dbraw/zinc/11/05/48/218110548.db2.gz HGIBPVXLQSMZGY-LBPRGKRZSA-N 0 0 332.425 3.145 50 0 EGAARN O=C(N[C@H]1COC2(C1)CCCCC2)c1c[nH]nc1-c1cccc(F)c1 ZINC000092046827 218111016 /nfs/dbraw/zinc/11/10/16/218111016.db2.gz KJDXXORHSBUXOI-OAHLLOKOSA-N 0 0 343.402 3.437 50 0 EGAARN O=C(Nc1ccccc1F)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000092062087 218112309 /nfs/dbraw/zinc/11/23/09/218112309.db2.gz TXGIIXHAOVLUON-UHFFFAOYSA-N 0 0 345.418 3.225 50 0 EGAARN Cc1nc2c(nc(C)nc2NCc2cnn(Cc3ccccc3)c2)o1 ZINC000092065992 218112627 /nfs/dbraw/zinc/11/26/27/218112627.db2.gz DGFFIVPOSPVGJS-UHFFFAOYSA-N 0 0 334.383 3.092 50 0 EGAARN C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C[C@H](C)O1 ZINC000010461612 211173652 /nfs/dbraw/zinc/17/36/52/211173652.db2.gz ZPTCRLKGIBZJNU-GJZGRUSLSA-N 0 0 338.407 3.188 50 0 EGAARN C[C@@H]1CC(C)(C)N2c3c(cccc31)[C@@]1(Nc3ccccc3C(=O)N1)C2=O ZINC000018145095 296286413 /nfs/dbraw/zinc/28/64/13/296286413.db2.gz FMKAEQWUDYPHGW-GTJPDFRWSA-N 0 0 347.418 3.327 50 0 biogenic EGAARN CC[C@@H](C)NC(=O)c1ccc(OCCOC)c(Br)c1 ZINC000010120544 211150706 /nfs/dbraw/zinc/15/07/06/211150706.db2.gz QRCLGKPMAIOOIP-SNVBAGLBSA-N 0 0 330.222 3.003 50 0 EGAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000010112633 211149052 /nfs/dbraw/zinc/14/90/52/211149052.db2.gz YPQVFPYULOCQAC-AWEZNQCLSA-N 0 0 346.452 3.166 50 0 EGAARN O=C(N[C@@H]1C(=O)c2ccccc2N[C@H]1c1ccco1)c1ccccc1 ZINC000009871439 211128836 /nfs/dbraw/zinc/12/88/36/211128836.db2.gz FXMNSSHELIIUAS-ROUUACIJSA-N 0 0 332.359 3.428 50 0 EGAARN c1ccc(C2(Sc3nnc(-c4ccncc4)o3)OCCO2)cc1 ZINC000009614885 211109275 /nfs/dbraw/zinc/10/92/75/211109275.db2.gz TTWNXIMZPHIUQT-UHFFFAOYSA-N 0 0 327.365 3.081 50 0 EGAARN CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2[nH]1 ZINC000009540823 211099276 /nfs/dbraw/zinc/09/92/76/211099276.db2.gz FMRALKUOOFQFGS-ZDUSSCGKSA-N 0 0 339.395 3.461 50 0 EGAARN O=C(Nc1ccc2oc(=O)ccc2c1)c1cncc(Br)c1 ZINC000009485056 211090751 /nfs/dbraw/zinc/09/07/51/211090751.db2.gz CVDXRUIOPKTAHP-UHFFFAOYSA-N 0 0 345.152 3.203 50 0 EGAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(C)nnc2s1 ZINC000009476660 211089582 /nfs/dbraw/zinc/08/95/82/211089582.db2.gz 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CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccccc1-c1ncc[nH]1 ZINC000097547402 219034383 /nfs/dbraw/zinc/03/43/83/219034383.db2.gz DKZUCLSNUDZLGS-MRXNPFEDSA-N 0 0 337.427 3.118 50 0 EGAARN O=c1[nH]c(Nc2ccc(F)cc2)nc2nccc(-c3ccncc3)c21 ZINC000066091639 285196974 /nfs/dbraw/zinc/19/69/74/285196974.db2.gz CPQJHOLXLAREAY-UHFFFAOYSA-N 0 0 333.326 3.263 50 0 EGAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCc2ncncc2C1 ZINC000096122752 257848627 /nfs/dbraw/zinc/84/86/27/257848627.db2.gz QKUMXMHFWJLLGW-UHFFFAOYSA-N 0 0 343.386 3.299 50 0 EGAARN CCOC(=O)c1csc(NC(=O)c2ncc(-c3ccccc3)o2)n1 ZINC000206584601 257860783 /nfs/dbraw/zinc/86/07/83/257860783.db2.gz UGWQNJBVTPGLLF-UHFFFAOYSA-N 0 0 343.364 3.227 50 0 EGAARN COCCN(CCOC)C(=O)c1ccc(-c2ncccc2Cl)cc1 ZINC000426632951 257961087 /nfs/dbraw/zinc/96/10/87/257961087.db2.gz WKXWLGSJSNKYPM-UHFFFAOYSA-N 0 0 348.830 3.137 50 0 EGAARN COc1ccc(-c2cn(CC(=O)c3ccc(C)cc3)c(=N)n2C)cc1 ZINC000334157543 258004818 /nfs/dbraw/zinc/00/48/18/258004818.db2.gz JGTPZFCJIKVFOL-UHFFFAOYSA-N 0 0 335.407 3.173 50 0 EGAARN COc1cccc(C(=O)Cn2cc(-c3ccc(C)cc3)n(C)c2=N)c1 ZINC000334157505 258005066 /nfs/dbraw/zinc/00/50/66/258005066.db2.gz CZRDIUZSEQBAQS-UHFFFAOYSA-N 0 0 335.407 3.173 50 0 EGAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000000073932 258047217 /nfs/dbraw/zinc/04/72/17/258047217.db2.gz PSVMZOOGPAPZQV-UHFFFAOYSA-N 0 0 338.454 3.077 50 0 EGAARN COC(=O)[C@@H](O)C(OCC(C)C)(c1ccccc1)c1ccccc1 ZINC000334160539 258016515 /nfs/dbraw/zinc/01/65/15/258016515.db2.gz HBMOVQCIFBBFBY-GOSISDBHSA-N 0 0 328.408 3.137 50 0 EGAARN CCC(CC)n1nc(C)cc1NC(=O)N(CC)Cc1nc(C)no1 ZINC000299772178 258084395 /nfs/dbraw/zinc/08/43/95/258084395.db2.gz ZQICLOJJCIGXGB-UHFFFAOYSA-N 0 0 334.424 3.298 50 0 EGAARN CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 ZINC000299782209 258090625 /nfs/dbraw/zinc/09/06/25/258090625.db2.gz MUFDWPZRFWFWCW-HNNXBMFYSA-N 0 0 349.431 3.077 50 0 EGAARN O=C(Nc1ccc(Cl)nc1)N1CCC(OCc2ccccn2)CC1 ZINC000299788841 258095077 /nfs/dbraw/zinc/09/50/77/258095077.db2.gz 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Cc1cc(C)cc(N2C[C@H](c3nc(-c4cccnc4)no3)CC2=O)c1 ZINC000007615834 453093954 /nfs/dbraw/zinc/09/39/54/453093954.db2.gz LXIZVEANQOPJHZ-OAHLLOKOSA-N 0 0 334.379 3.269 50 0 EGAARN O=C(COC(=O)c1ccc(F)cc1Cl)NCc1ccccc1F ZINC000008208419 453176921 /nfs/dbraw/zinc/17/69/21/453176921.db2.gz GVROSMZDCDKONC-UHFFFAOYSA-N 0 0 339.725 3.091 50 0 EGAARN COc1ccc(-c2noc(COC(=O)c3ccccc3OC)n2)cc1 ZINC000008447717 453204411 /nfs/dbraw/zinc/20/44/11/453204411.db2.gz WHPJGYVDBLPJKQ-UHFFFAOYSA-N 0 0 340.335 3.111 50 0 EGAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)NCc3ccco3)c2)c1C ZINC000008600201 453217232 /nfs/dbraw/zinc/21/72/32/453217232.db2.gz RXZRVIJMJSQDBO-UHFFFAOYSA-N 0 0 346.408 3.338 50 0 EGAARN O=C(Nc1cccc2ccccc21)C1CCN(c2ncccn2)CC1 ZINC000009532042 453255382 /nfs/dbraw/zinc/25/53/82/453255382.db2.gz WHDFKJIGMLMJAO-UHFFFAOYSA-N 0 0 332.407 3.485 50 0 EGAARN COC(=O)[C@H](c1ccccc1)N1CCCCN1C(=O)OC(C)(C)C ZINC000012336491 453356057 /nfs/dbraw/zinc/35/60/57/453356057.db2.gz BMMOTHOWNLUDJH-HNNXBMFYSA-N 0 0 334.416 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Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000531867 452616308 /nfs/dbraw/zinc/61/63/08/452616308.db2.gz QRRITMUAAISHAG-UHFFFAOYSA-N 0 0 326.381 3.171 50 0 EGAARN COC(=O)c1cn(CC(=O)Nc2ccccc2F)c2ccccc12 ZINC000000555385 452619798 /nfs/dbraw/zinc/61/97/98/452619798.db2.gz KQVPTGFJWFPHTP-UHFFFAOYSA-N 0 0 326.327 3.206 50 0 EGAARN CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2cccs2)c1 ZINC000000567001 452623454 /nfs/dbraw/zinc/62/34/54/452623454.db2.gz XCULEFVIYXKNIT-UHFFFAOYSA-N 0 0 331.393 3.382 50 0 EGAARN Cc1sc(NC(=O)COc2cc(C)ccc2C)c(C(N)=O)c1C ZINC000000566837 452624451 /nfs/dbraw/zinc/62/44/51/452624451.db2.gz WQYGOKQMBZWPAD-UHFFFAOYSA-N 0 0 332.425 3.098 50 0 EGAARN Cc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000000569282 452626563 /nfs/dbraw/zinc/62/65/63/452626563.db2.gz AFHXDIFHMRULTK-UHFFFAOYSA-N 0 0 342.420 3.201 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)N(C)Cc2cn(CC)nc2C)cc1 ZINC000000611005 452629974 /nfs/dbraw/zinc/62/99/74/452629974.db2.gz NJFBZKRJVOJASD-UHFFFAOYSA-N 0 0 344.415 3.052 50 0 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338.407 3.304 50 0 EGAARN COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 ZINC000001010618 452641079 /nfs/dbraw/zinc/64/10/79/452641079.db2.gz SZIHXJZQXRVXBV-UHFFFAOYSA-N 0 0 340.423 3.262 50 0 EGAARN O=C(c1ccc(Cl)cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000001018092 452641719 /nfs/dbraw/zinc/64/17/19/452641719.db2.gz YDWZCQMAAZRWOG-INIZCTEOSA-N 0 0 347.823 3.298 50 0 EGAARN CCn1cc([C@@H](C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1 ZINC000001052117 452642747 /nfs/dbraw/zinc/64/27/47/452642747.db2.gz VFEISYOJYVZMHZ-GFCCVEGCSA-N 0 0 335.835 3.429 50 0 EGAARN CCOc1cccc2cc(C(=O)NCc3cccs3)c(=O)oc21 ZINC000001055239 452643442 /nfs/dbraw/zinc/64/34/42/452643442.db2.gz MTVWSNMSTJRQAD-UHFFFAOYSA-N 0 0 329.377 3.183 50 0 EGAARN CCOC(=O)c1sc(NC(=O)[C@H]2CCCO2)nc1-c1ccccc1 ZINC000001054322 452643454 /nfs/dbraw/zinc/64/34/54/452643454.db2.gz GRPWUDJIYFBZDU-GFCCVEGCSA-N 0 0 346.408 3.104 50 0 EGAARN COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)nc1C ZINC000001053604 452643615 /nfs/dbraw/zinc/64/36/15/452643615.db2.gz 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CCCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001775308 452679526 /nfs/dbraw/zinc/67/95/26/452679526.db2.gz AVYDDKYTKCFDQV-MNOVXSKESA-N 0 0 334.441 3.097 50 0 EGAARN CCOc1ccccc1C(=O)Nc1ccc(C(=O)OCCOC)cc1 ZINC000001891393 452680805 /nfs/dbraw/zinc/68/08/05/452680805.db2.gz SRMUXRNJXKMTQS-UHFFFAOYSA-N 0 0 343.379 3.141 50 0 EGAARN COc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000002110005 452684780 /nfs/dbraw/zinc/68/47/80/452684780.db2.gz CPZRDQBJZMDNHO-JNCYCUAHSA-N 0 0 334.419 3.332 50 0 biogenic EGAARN CCCOC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 ZINC000002069874 452686681 /nfs/dbraw/zinc/68/66/81/452686681.db2.gz YWHHIHGHXUYXJW-UHFFFAOYSA-N 0 0 344.363 3.490 50 0 EGAARN COCCSc1nnc(NC(=O)CCCc2ccccc2)s1 ZINC000002153650 452687809 /nfs/dbraw/zinc/68/78/09/452687809.db2.gz BIRNMARAOFTJCY-UHFFFAOYSA-N 0 0 337.470 3.238 50 0 EGAARN CC(=O)Nc1cccc(OCCOc2cccc(NC(C)=O)c2)c1 ZINC000002165871 452688286 /nfs/dbraw/zinc/68/82/86/452688286.db2.gz JWNGEAIYEQJHSS-UHFFFAOYSA-N 0 0 328.368 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343.818 3.416 50 0 EGAARN Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1 ZINC000002810495 452728442 /nfs/dbraw/zinc/72/84/42/452728442.db2.gz SVWJCKBZAAIRLH-UHFFFAOYSA-N 0 0 346.814 3.091 50 0 EGAARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000002830285 452728556 /nfs/dbraw/zinc/72/85/56/452728556.db2.gz FMDMITMSARKEPS-UHFFFAOYSA-N 0 0 338.454 3.079 50 0 EGAARN CCOC(=O)CSc1nccc(-c2cccc(OC(F)F)c2)n1 ZINC000002809719 452728564 /nfs/dbraw/zinc/72/85/64/452728564.db2.gz PXYGTGBTSWJYCY-UHFFFAOYSA-N 0 0 340.351 3.400 50 0 EGAARN CC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000002858152 452729652 /nfs/dbraw/zinc/72/96/52/452729652.db2.gz DDSCDRPIQTZDHR-UHFFFAOYSA-N 0 0 341.386 3.382 50 0 EGAARN CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1OC ZINC000002854523 452730313 /nfs/dbraw/zinc/73/03/13/452730313.db2.gz VLLBFOKUTWPIHS-UHFFFAOYSA-N 0 0 326.396 3.477 50 0 EGAARN CCCCc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1 ZINC000002859542 452730684 /nfs/dbraw/zinc/73/06/84/452730684.db2.gz LHIOYYBGCSISSN-UHFFFAOYSA-N 0 0 337.474 3.018 50 0 EGAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCC2 ZINC000002872784 452731989 /nfs/dbraw/zinc/73/19/89/452731989.db2.gz NYXOBOUQSQLNQX-UHFFFAOYSA-N 0 0 330.409 3.449 50 0 EGAARN Cc1ccc(-c2nnc(NCCN3CCOCC3)c3ccccc32)cc1 ZINC000002888995 452733511 /nfs/dbraw/zinc/73/35/11/452733511.db2.gz YOZAZXUPDGTZBN-UHFFFAOYSA-N 0 0 348.450 3.349 50 0 EGAARN O=C1c2ccccc2C(=O)N1Nc1ncc(C(F)(F)F)cc1Cl ZINC000003104652 452743743 /nfs/dbraw/zinc/74/37/43/452743743.db2.gz IIKSJLJKJFOYIU-UHFFFAOYSA-N 0 0 341.676 3.377 50 0 EGAARN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2 ZINC000003247874 452752608 /nfs/dbraw/zinc/75/26/08/452752608.db2.gz JKBYSPZCJCSSQW-UHFFFAOYSA-N 0 0 341.392 3.065 50 0 EGAARN COc1cc(C(=O)Cc2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000003276809 452756241 /nfs/dbraw/zinc/75/62/41/452756241.db2.gz OMULFSWKUNFLCY-UHFFFAOYSA-N 0 0 326.352 3.014 50 0 EGAARN COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000004084612 452793032 /nfs/dbraw/zinc/79/30/32/452793032.db2.gz 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O=C(NCCCO)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000006112269 452921218 /nfs/dbraw/zinc/92/12/18/452921218.db2.gz WJPGICGLHKWSJR-UHFFFAOYSA-N 0 0 345.402 3.495 50 0 biogenic EGAARN C[C@@H](NC(=S)N1CCN(c2cccc(O)c2)CC1)c1ccccc1 ZINC000006399212 452940715 /nfs/dbraw/zinc/94/07/15/452940715.db2.gz RIQCNBAZFRTGHT-OAHLLOKOSA-N 0 0 341.480 3.150 50 0 EGAARN CCOc1ccccc1C(=O)OCC(=O)NCc1ccccc1Cl ZINC000006539651 452950479 /nfs/dbraw/zinc/95/04/79/452950479.db2.gz HVMAGDKBJIEARB-UHFFFAOYSA-N 0 0 347.798 3.212 50 0 EGAARN CC[C@H](C)Oc1ccc(OCCSc2nc(C)cc(=O)[nH]2)cc1 ZINC000006645818 452963259 /nfs/dbraw/zinc/96/32/59/452963259.db2.gz HNMGLNIBYPHVOS-ZDUSSCGKSA-N 0 0 334.441 3.427 50 0 EGAARN Cc1cccc(-c2noc(CNC(=O)CSc3ccccc3)n2)c1 ZINC000006697447 452968690 /nfs/dbraw/zinc/96/86/90/452968690.db2.gz CPOLPPOZIMPBGP-UHFFFAOYSA-N 0 0 339.420 3.454 50 0 EGAARN CCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1CC ZINC000006704026 452974253 /nfs/dbraw/zinc/97/42/53/452974253.db2.gz DAVHPQPSJSVVFA-UHFFFAOYSA-N 0 0 347.469 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342.395 3.307 50 0 EGAARN CO[C@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C)s1 ZINC000096385725 454320039 /nfs/dbraw/zinc/32/00/39/454320039.db2.gz ZPEYRCZKDVZVOT-CDVVCGDMSA-N 0 0 345.420 3.302 50 0 EGAARN Cc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C(C)C)s1 ZINC000061719256 454352526 /nfs/dbraw/zinc/35/25/26/454352526.db2.gz HLFBZYONYZOAGE-UHFFFAOYSA-N 0 0 333.442 3.469 50 0 EGAARN Fc1c(Cl)cccc1-c1nnc2sc(-c3cnccn3)nn21 ZINC000061719824 454352747 /nfs/dbraw/zinc/35/27/47/454352747.db2.gz AEADCSYEKZAQFA-UHFFFAOYSA-N 0 0 332.751 3.102 50 0 EGAARN CC(C)c1ccc(S(=O)(=O)N(C)c2ccsc2CO)cc1 ZINC000096511603 454373430 /nfs/dbraw/zinc/37/34/30/454373430.db2.gz RXXUIYXDYBQYDO-UHFFFAOYSA-N 0 0 325.455 3.189 50 0 EGAARN Cc1nc(C(C)C)sc1C(=O)NCc1noc(-c2ccco2)n1 ZINC000062902827 454387526 /nfs/dbraw/zinc/38/75/26/454387526.db2.gz JSYJFIHMQAKERZ-UHFFFAOYSA-N 0 0 332.385 3.148 50 0 EGAARN CCc1oc2c(cccc2NC(=O)NCc2cc(COC)n[nH]2)c1C ZINC000097173029 454421150 /nfs/dbraw/zinc/42/11/50/454421150.db2.gz KNIPLPBLVHJLJE-UHFFFAOYSA-N 0 0 342.399 3.495 50 0 EGAARN Cc1cccc(-c2noc(CN3CCO[C@@H](c4nccs4)C3)n2)c1 ZINC000097199937 454421918 /nfs/dbraw/zinc/42/19/18/454421918.db2.gz HVUFMNKKHXXPFL-CQSZACIVSA-N 0 0 342.424 3.075 50 0 EGAARN O=C(c1ccc(-n2cccc2)cc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000121356553 454425458 /nfs/dbraw/zinc/42/54/58/454425458.db2.gz KPJKGZAYFQIKPB-IBGZPJMESA-N 0 0 333.391 3.166 50 0 EGAARN Cc1cccnc1N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000091325997 454427693 /nfs/dbraw/zinc/42/76/93/454427693.db2.gz YOWAJBULCQWRMC-SFHVURJKSA-N 0 0 333.439 3.414 50 0 EGAARN CC(C)Cc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)n(C)n1 ZINC000091325803 454428011 /nfs/dbraw/zinc/42/80/11/454428011.db2.gz FRQGWWQVAITHLI-AWEZNQCLSA-N 0 0 340.349 3.047 50 0 EGAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000048044531 454434203 /nfs/dbraw/zinc/43/42/03/454434203.db2.gz XQTFDTSPPIMTGZ-SECBINFHSA-N 0 0 338.256 3.423 50 0 EGAARN CNc1ncccc1C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000063845544 454454638 /nfs/dbraw/zinc/45/46/38/454454638.db2.gz MAKTZUOMIARRGO-INIZCTEOSA-N 0 0 339.439 3.456 50 0 EGAARN Cc1cnc(NCc2csc(C(C)C)n2)nc1-c1cnn(C)c1 ZINC000063882221 454457185 /nfs/dbraw/zinc/45/71/85/454457185.db2.gz AODNDRQKJDLSHY-UHFFFAOYSA-N 0 0 328.445 3.378 50 0 EGAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)ccc1F ZINC000065371958 454554913 /nfs/dbraw/zinc/55/49/13/454554913.db2.gz PWFRWIDBRRQSHZ-AWEZNQCLSA-N 0 0 337.354 3.494 50 0 EGAARN O=C1C[C@H](c2ccccc2)CN1Cc1nnc(CCc2ccccc2)[nH]1 ZINC000065372876 454555393 /nfs/dbraw/zinc/55/53/93/454555393.db2.gz JJQDHLLVXXKHFM-SFHVURJKSA-N 0 0 346.434 3.106 50 0 EGAARN Cc1nc(C)c(C(=O)Nc2cccn(Cc3ccccc3)c2=O)s1 ZINC000122662362 454557180 /nfs/dbraw/zinc/55/71/80/454557180.db2.gz GZJUTKDAVLLTKY-UHFFFAOYSA-N 0 0 339.420 3.222 50 0 EGAARN Cc1ccc2oc(C(=O)N(C)CCc3noc(C4CC4)n3)cc2c1 ZINC000065385690 454557620 /nfs/dbraw/zinc/55/76/20/454557620.db2.gz LGMSXAFXLHQFRC-UHFFFAOYSA-N 0 0 325.368 3.316 50 0 EGAARN CCn1cncc1CNC(=O)c1sc(C)nc1-c1ccccc1 ZINC000065382158 454557931 /nfs/dbraw/zinc/55/79/31/454557931.db2.gz PUGFBKCOQLELCI-UHFFFAOYSA-N 0 0 326.425 3.265 50 0 EGAARN CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCSc1ccccn1 ZINC000065398815 454560569 /nfs/dbraw/zinc/56/05/69/454560569.db2.gz DQZKKEWIYCTUTK-MRXNPFEDSA-N 0 0 345.468 3.189 50 0 EGAARN Cc1nc([C@@H](C)n2cnc3ccccc32)n(-c2ccc3c(c2)OCO3)n1 ZINC000065422892 454564376 /nfs/dbraw/zinc/56/43/76/454564376.db2.gz BCIGJOGZVZOMCT-GFCCVEGCSA-N 0 0 347.378 3.263 50 0 EGAARN COCC1(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)CCC1 ZINC000065423901 454566032 /nfs/dbraw/zinc/56/60/32/454566032.db2.gz VOOQGLQVBJUQMH-HNNXBMFYSA-N 0 0 341.411 3.217 50 0 EGAARN Cc1cc(C)n(C2CN(C(=O)c3cc(C)nc4ccc(C)cc43)C2)n1 ZINC000065453164 454569769 /nfs/dbraw/zinc/56/97/69/454569769.db2.gz QWXMSUWYXDWYID-UHFFFAOYSA-N 0 0 334.423 3.362 50 0 EGAARN c1cncc(CCc2nc(C3CC3)nn2-c2ccc3c(c2)OCCO3)c1 ZINC000065527038 454583991 /nfs/dbraw/zinc/58/39/91/454583991.db2.gz AGKVRFHGGMXHQF-UHFFFAOYSA-N 0 0 348.406 3.096 50 0 EGAARN O=c1[nH]nc(Cc2ccncc2)n1-c1ccccc1-c1ccccc1 ZINC000065529310 454585491 /nfs/dbraw/zinc/58/54/91/454585491.db2.gz OMCQSMVFTKGWHO-UHFFFAOYSA-N 0 0 328.375 3.213 50 0 EGAARN Cc1ccc([C@@H]2[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)CCC(=O)N2C)cc1 ZINC000106932637 454732565 /nfs/dbraw/zinc/73/25/65/454732565.db2.gz FPIIIBDAHPGZDV-QQTQMKHKSA-N 0 0 342.483 3.409 50 0 EGAARN CC(=O)N(CN1C(=O)[C@@H]2CC[C@@H](C)C[C@@H]2C1=O)c1cccc(Cl)c1 ZINC000169618803 454930162 /nfs/dbraw/zinc/93/01/62/454930162.db2.gz RAVZPKQROICIAF-LYRGGWFBSA-N 0 0 348.830 3.072 50 0 EGAARN Cc1ccc(C(=O)NCc2nnc3ccc(-c4ccccc4)nn32)s1 ZINC000169778386 454931415 /nfs/dbraw/zinc/93/14/15/454931415.db2.gz MJCGLOLGTCZZIM-UHFFFAOYSA-N 0 0 349.419 3.091 50 0 EGAARN COc1cccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)c1 ZINC000169762204 454931431 /nfs/dbraw/zinc/93/14/31/454931431.db2.gz TZLDPWDZNOFGRR-CQSZACIVSA-N 0 0 341.411 3.394 50 0 EGAARN Cn1cc(CC(=O)NCCn2ccc3ccccc32)c2ccccc21 ZINC000170625374 454944866 /nfs/dbraw/zinc/94/48/66/454944866.db2.gz XMFKDWAYFVTLKZ-UHFFFAOYSA-N 0 0 331.419 3.492 50 0 biogenic EGAARN COc1cccc(SCC(=O)NCCc2nc(C)c(C)s2)c1 ZINC000151533141 454998176 /nfs/dbraw/zinc/99/81/76/454998176.db2.gz ODJSZFFVEZIZMW-UHFFFAOYSA-N 0 0 336.482 3.220 50 0 EGAARN O=C(NC[C@@H](c1ccoc1)N1CCSCC1)Nc1cccs1 ZINC000244975227 455277835 /nfs/dbraw/zinc/27/78/35/455277835.db2.gz IHIDRBFXWWJAOY-ZDUSSCGKSA-N 0 0 337.470 3.253 50 0 EGAARN COC(=O)[C@H]1[C@H](Cc2ccccc2)CCCN1C(=O)OC(C)(C)C ZINC000601014535 460674979 /nfs/dbraw/zinc/67/49/79/460674979.db2.gz RBGUACDLUYIFSJ-JKSUJKDBSA-N 0 0 333.428 3.418 50 0 EGAARN O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[C@H]1CC[C@@H](O)CC1 ZINC000247743027 455642942 /nfs/dbraw/zinc/64/29/42/455642942.db2.gz PDTAQIYDHOJSLX-BPQIPLTHSA-N 0 0 344.842 3.492 50 0 EGAARN CN(Cc1cc(C2CC2)n[nH]1)C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000252510034 455818503 /nfs/dbraw/zinc/81/85/03/455818503.db2.gz ZAMRRTUPYAVPFG-UHFFFAOYSA-N 0 0 343.814 3.375 50 0 EGAARN O=C(c1cc(C2CC2)on1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000252572581 455821126 /nfs/dbraw/zinc/82/11/26/455821126.db2.gz ZLJIBPOONMXFLR-HNNXBMFYSA-N 0 0 349.390 3.394 50 0 EGAARN Cc1noc([C@@H]2CN(C(=O)/C=C/c3ccco3)C[C@H]2c2ccccc2)n1 ZINC000253474072 455849551 /nfs/dbraw/zinc/84/95/51/455849551.db2.gz BJQMOHGQBJAICS-GBXWSJCFSA-N 0 0 349.390 3.394 50 0 EGAARN COc1ccc(C[C@H](CC(=O)c2ccc(OC)cc2)OC(C)=O)cc1 ZINC000253470523 455849705 /nfs/dbraw/zinc/84/97/05/455849705.db2.gz BFVRJXZDHXLTKC-LJQANCHMSA-N 0 0 342.391 3.451 50 0 EGAARN CC(C)(C)OC(=O)N[C@@H](CO)[C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000258024473 455898893 /nfs/dbraw/zinc/89/88/93/455898893.db2.gz RPNZOSZEPAPBNH-ROUUACIJSA-N 0 0 343.423 3.410 50 0 EGAARN O=C1C[C@H](Cc2ccc(N3CCOCC3)cc2)CN1c1ccccc1 ZINC000220064770 456037606 /nfs/dbraw/zinc/03/76/06/456037606.db2.gz OABURQZGGPKVRG-SFHVURJKSA-N 0 0 336.435 3.119 50 0 EGAARN CCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000220173720 456038537 /nfs/dbraw/zinc/03/85/37/456038537.db2.gz KEJAVWUYCKWLBA-HZPDHXFCSA-N 0 0 337.847 3.072 50 0 EGAARN CC(C)c1cc(CN(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3N2)no1 ZINC000220315147 456039143 /nfs/dbraw/zinc/03/91/43/456039143.db2.gz RUAXDPYFRLSOBA-HNNXBMFYSA-N 0 0 333.819 3.447 50 0 EGAARN COc1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)ccc1F ZINC000221224444 456042074 /nfs/dbraw/zinc/04/20/74/456042074.db2.gz OTLYTPFUMFLVRJ-OAHLLOKOSA-N 0 0 331.391 3.116 50 0 EGAARN CCn1nc(C)cc1C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000221342235 456042492 /nfs/dbraw/zinc/04/24/92/456042492.db2.gz VFMNEZNTUPIWQO-UHFFFAOYSA-N 0 0 331.807 3.013 50 0 EGAARN O=C(c1nccc2ccccc21)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000222505073 456047060 /nfs/dbraw/zinc/04/70/60/456047060.db2.gz VWLWXUQFWQUUBC-GOSISDBHSA-N 0 0 347.418 3.451 50 0 EGAARN CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000222538457 456048571 /nfs/dbraw/zinc/04/85/71/456048571.db2.gz RKESKSDLDCHOED-IEBWSBKVSA-N 0 0 340.423 3.036 50 0 EGAARN O=C(CSc1ccccn1)NCc1coc(-c2ccccc2)n1 ZINC000222987812 456052715 /nfs/dbraw/zinc/05/27/15/456052715.db2.gz UWVUNWBTLGSCPZ-UHFFFAOYSA-N 0 0 325.393 3.145 50 0 EGAARN Cc1nc2cc(CC(=O)N[C@H](c3ccccc3)[C@H]3C[C@H](O)C3)ccc2[nH]1 ZINC000223213700 456055507 /nfs/dbraw/zinc/05/55/07/456055507.db2.gz NSTSZVBXSUVQJP-LLGFUMIMSA-N 0 0 349.434 3.042 50 0 EGAARN Cn1c(C(=O)N2CCCC[C@@H]2CCn2cccn2)cc2ccccc21 ZINC000223611249 456059093 /nfs/dbraw/zinc/05/90/93/456059093.db2.gz XEGUHWMCLARKIA-QGZVFWFLSA-N 0 0 336.439 3.460 50 0 EGAARN COc1ccccc1C(=O)NC[C@@H](O)c1csc2ccccc21 ZINC000225691888 456104588 /nfs/dbraw/zinc/10/45/88/456104588.db2.gz FTEZJYHXEJHWOM-OAHLLOKOSA-N 0 0 327.405 3.373 50 0 EGAARN CN(C)c1ccc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)cc1 ZINC000225713727 456105944 /nfs/dbraw/zinc/10/59/44/456105944.db2.gz TUOLBXCXAFHDOB-MRXNPFEDSA-N 0 0 343.452 3.284 50 0 EGAARN O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@@H]1c1cccs1 ZINC000229219959 456127854 /nfs/dbraw/zinc/12/78/54/456127854.db2.gz HESIWDKYGNSPGV-GDBMZVCRSA-N 0 0 344.484 3.014 50 0 EGAARN C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000263569992 456170471 /nfs/dbraw/zinc/17/04/71/456170471.db2.gz HWAMZNWIUHWBJF-JCQPUDPBSA-N 0 0 331.437 3.315 50 0 EGAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCCc1ccncc1 ZINC000263587756 456178286 /nfs/dbraw/zinc/17/82/86/456178286.db2.gz KWETYKZXGHLMEN-QGZVFWFLSA-N 0 0 325.437 3.283 50 0 EGAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc4scnc4c3)c12 ZINC000337624243 456434384 /nfs/dbraw/zinc/43/43/84/456434384.db2.gz IPOZPKBTCDJAHY-UHFFFAOYSA-N 0 0 337.408 3.447 50 0 EGAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@@H](C)c1nc(C2CC2)no1 ZINC000299763983 456779076 /nfs/dbraw/zinc/77/90/76/456779076.db2.gz IDMGEJVJEMLFRK-JTQLQIEISA-N 0 0 342.374 3.296 50 0 EGAARN CC(C)c1nc2cc(NC(=O)N[C@H](C)Cc3cnccn3)ccc2[nH]1 ZINC000299770048 456780867 /nfs/dbraw/zinc/78/08/67/456780867.db2.gz YZUQFRFQEQUCTO-GFCCVEGCSA-N 0 0 338.415 3.229 50 0 EGAARN O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1cccnc1 ZINC000390827253 457443549 /nfs/dbraw/zinc/44/35/49/457443549.db2.gz VMFIORUTYGOSRG-CQSZACIVSA-N 0 0 336.463 3.273 50 0 EGAARN O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccnc1 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452525305 /nfs/dbraw/zinc/52/53/05/452525305.db2.gz BLWBTLOWCRAKAN-UHFFFAOYSA-N 0 0 336.160 3.201 50 0 EGAARN CCC(=O)c1cc2c(cc1NC(=O)c1cccc(OC)c1)OCCO2 ZINC000000169529 452525475 /nfs/dbraw/zinc/52/54/75/452525475.db2.gz YMDINMVKIFZSST-UHFFFAOYSA-N 0 0 341.363 3.311 50 0 EGAARN CCOC(=O)c1c(N)sc2c1ccc(Br)c2OC ZINC000000188459 452531007 /nfs/dbraw/zinc/53/10/07/452531007.db2.gz IEHYVYZADVHGFF-UHFFFAOYSA-N 0 0 330.203 3.431 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)C(CC)(CC)C(=O)OCC)cc1 ZINC000000240935 452543111 /nfs/dbraw/zinc/54/31/11/452543111.db2.gz PVGZESCZNCLQMN-UHFFFAOYSA-N 0 0 335.400 3.171 50 0 EGAARN CC(C)COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000000242138 452545833 /nfs/dbraw/zinc/54/58/33/452545833.db2.gz HJFUIEBWEHVZQO-KRWDZBQOSA-N 0 0 341.407 3.291 50 0 EGAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(N)=O ZINC000000268294 452550284 /nfs/dbraw/zinc/55/02/84/452550284.db2.gz AEJDILNXGXTCJO-QMMMGPOBSA-N 0 0 327.331 3.128 50 0 EGAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1 ZINC000000309378 452560256 /nfs/dbraw/zinc/56/02/56/452560256.db2.gz VBVONYSEWXOOJV-UHFFFAOYSA-N 0 0 341.436 3.470 50 0 EGAARN O=C1CCC(=O)N1CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000310753 452560354 /nfs/dbraw/zinc/56/03/54/452560354.db2.gz GOYXTAMEWPUDHJ-INIZCTEOSA-N 0 0 337.375 3.086 50 0 biogenic EGAARN CCN(CC)C(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000000312838 452561992 /nfs/dbraw/zinc/56/19/92/452561992.db2.gz QDEVSMUIJCDXFV-UHFFFAOYSA-N 0 0 337.217 3.085 50 0 EGAARN Cc1cc(O)c(C(C)C)cc1NC1=NS(=O)(=O)c2ccccc21 ZINC000000350899 452568623 /nfs/dbraw/zinc/56/86/23/452568623.db2.gz HXBJIGYKYDLFGM-UHFFFAOYSA-N 0 0 330.409 3.385 50 0 EGAARN O=C(COc1ccccc1Cl)NC(=S)N1CCc2ccccc21 ZINC000000358816 452570097 /nfs/dbraw/zinc/57/00/97/452570097.db2.gz ITYHESCVZCHKOB-UHFFFAOYSA-N 0 0 346.839 3.183 50 0 EGAARN CCCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000357509 452570904 /nfs/dbraw/zinc/57/09/04/452570904.db2.gz NYYQDUKDZNZFAD-UHFFFAOYSA-N 0 0 344.436 3.177 50 0 EGAARN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000000384623 452576485 /nfs/dbraw/zinc/57/64/85/452576485.db2.gz JRJYUPXROXOZDP-NSHDSACASA-N 0 0 325.817 3.388 50 0 EGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C1CCCCC1 ZINC000000408676 452578732 /nfs/dbraw/zinc/57/87/32/452578732.db2.gz GERWBKSVDHUVIT-UHFFFAOYSA-N 0 0 335.444 3.460 50 0 EGAARN COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1OC ZINC000000407853 452579254 /nfs/dbraw/zinc/57/92/54/452579254.db2.gz SXFFPKPKFVAFFS-HZPDHXFCSA-N 0 0 336.395 3.442 50 0 EGAARN COC(=O)c1sc(=S)n(-c2ccc(OC)c(Cl)c2)c1N ZINC000000425176 452588011 /nfs/dbraw/zinc/58/80/11/452588011.db2.gz RXBVWYVBBLXWOW-UHFFFAOYSA-N 0 0 330.818 3.299 50 0 EGAARN CCn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000000447265 452594656 /nfs/dbraw/zinc/59/46/56/452594656.db2.gz JCSWJOCTOBNPPB-SFQUDFHCSA-N 0 0 331.375 3.123 50 0 EGAARN CCOc1ccc(C(=O)NCc2cccnc2)cc1Br ZINC000000449593 452595353 /nfs/dbraw/zinc/59/53/53/452595353.db2.gz IGPFRJWWDSKQLO-UHFFFAOYSA-N 0 0 335.201 3.173 50 0 EGAARN CCOc1ccc([C@H](NC(C)=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000448750 452595471 /nfs/dbraw/zinc/59/54/71/452595471.db2.gz NTOHORDIURDXBX-IBGZPJMESA-N 0 0 329.396 3.328 50 0 EGAARN COC(=O)c1ccc(CSc2nnc(-c3ccncc3)o2)cc1 ZINC000000462682 452599584 /nfs/dbraw/zinc/59/95/84/452599584.db2.gz NWPPHMCDJATXDQ-UHFFFAOYSA-N 0 0 327.365 3.211 50 0 EGAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000000464703 452600664 /nfs/dbraw/zinc/60/06/64/452600664.db2.gz CJVKMVMTOGAXFW-UHFFFAOYSA-N 0 0 327.764 3.483 50 0 EGAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000000469281 452601175 /nfs/dbraw/zinc/60/11/75/452601175.db2.gz HTVSFSXUAPSQDK-UHFFFAOYSA-N 0 0 342.420 3.162 50 0 EGAARN COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC ZINC000000473079 452602932 /nfs/dbraw/zinc/60/29/32/452602932.db2.gz UEEYGHQXTYLPNQ-UHFFFAOYSA-N 0 0 342.395 3.094 50 0 EGAARN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)n3c4ccccc4nc3N2)c1 ZINC000000480475 452606773 /nfs/dbraw/zinc/60/67/73/452606773.db2.gz KFUMFPOBRRLPFU-OAHLLOKOSA-N 0 0 334.379 3.116 50 0 EGAARN CCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O ZINC000000501511 452607831 /nfs/dbraw/zinc/60/78/31/452607831.db2.gz NHJLZJNMZARXLZ-LLVKDONJSA-N 0 0 329.787 3.391 50 0 EGAARN Cc1cc(OCNC(=O)c2ccc(F)cc2)nc(SC(C)C)n1 ZINC000000498957 452608445 /nfs/dbraw/zinc/60/84/45/452608445.db2.gz RLIFBVPFIHYLIE-UHFFFAOYSA-N 0 0 335.404 3.191 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 ZINC000000508817 452610329 /nfs/dbraw/zinc/61/03/29/452610329.db2.gz UUFVKRAENRIOMN-UHFFFAOYSA-N 0 0 327.380 3.498 50 0 EGAARN O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000000528905 452614442 /nfs/dbraw/zinc/61/44/42/452614442.db2.gz BDZDWOUZCNCLMX-UHFFFAOYSA-N 0 0 346.382 3.349 50 0 EGAARN Cc1ccccc1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 ZINC000000544011 452617878 /nfs/dbraw/zinc/61/78/78/452617878.db2.gz VCLIKDXTWMAZQC-UHFFFAOYSA-N 0 0 326.363 3.439 50 0 EGAARN O=C(Cc1ccccc1)Nc1ccc(-c2nn3cnnc3s2)cc1 ZINC000000558325 452621991 /nfs/dbraw/zinc/62/19/91/452621991.db2.gz 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/nfs/dbraw/zinc/64/37/51/452643751.db2.gz FFCWDJQNWRICFO-UHFFFAOYSA-N 0 0 347.392 3.468 50 0 EGAARN Cc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cc1Cl ZINC000001072124 452645450 /nfs/dbraw/zinc/64/54/50/452645450.db2.gz ZCZRXCKMVLLEJQ-CYBMUJFWSA-N 0 0 334.847 3.450 50 0 EGAARN O=S(=O)(NCc1ccco1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001124215 452645875 /nfs/dbraw/zinc/64/58/75/452645875.db2.gz KDIZSMIMMUFGBN-UHFFFAOYSA-N 0 0 325.389 3.329 50 0 EGAARN CCN(CC)C(=S)SCc1nc(N)nc(Nc2ccccc2)n1 ZINC000001241940 452648755 /nfs/dbraw/zinc/64/87/55/452648755.db2.gz RJZLGWJUMUNRDU-UHFFFAOYSA-N 0 0 348.501 3.057 50 0 EGAARN COc1ccc(C=CC(=O)NC(=S)N(C)C2CCCCC2)cc1 ZINC000001236205 452649242 /nfs/dbraw/zinc/64/92/42/452649242.db2.gz MOHHRXGHIMPAHA-JLHYYAGUSA-N 0 0 332.469 3.374 50 0 EGAARN CC(=O)Nc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001318727 452652585 /nfs/dbraw/zinc/65/25/85/452652585.db2.gz NPPLTZWDGLRUHW-HNNXBMFYSA-N 0 0 341.392 3.283 50 0 EGAARN COc1ccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)cc1OC ZINC000001317661 452653167 /nfs/dbraw/zinc/65/31/67/452653167.db2.gz VVUKIEHKMGJUKW-UHFFFAOYSA-N 0 0 340.331 3.403 50 0 biogenic EGAARN CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)cc1 ZINC000001320527 452653441 /nfs/dbraw/zinc/65/34/41/452653441.db2.gz JYHRAWJULWERGO-LJQANCHMSA-N 0 0 327.355 3.362 50 0 EGAARN CSc1nnc(CNC(=O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000001392455 452658034 /nfs/dbraw/zinc/65/80/34/452658034.db2.gz FRQXRJLATDPWOV-UHFFFAOYSA-N 0 0 342.399 3.058 50 0 EGAARN Cc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O ZINC000001394393 452658213 /nfs/dbraw/zinc/65/82/13/452658213.db2.gz MAMYTBUPJOICHI-UHFFFAOYSA-N 0 0 341.317 3.071 50 0 EGAARN O=C(OCC[C@H]1Oc2ccc(Cl)cc2NC1=O)c1ccc(F)cc1 ZINC000001390471 452658523 /nfs/dbraw/zinc/65/85/23/452658523.db2.gz OSUINHYFZYDFOO-OAHLLOKOSA-N 0 0 349.745 3.426 50 0 EGAARN O=C(OCC[C@@H]1Oc2ccc(Cl)cc2NC1=O)c1ccc(F)cc1 ZINC000001390470 452658839 /nfs/dbraw/zinc/65/88/39/452658839.db2.gz OSUINHYFZYDFOO-HNNXBMFYSA-N 0 0 349.745 3.426 50 0 EGAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1S[C@H](C)CC ZINC000001400365 452659597 /nfs/dbraw/zinc/65/95/97/452659597.db2.gz SCGHESGLLLZSHP-GFCCVEGCSA-N 0 0 332.425 3.300 50 0 EGAARN CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2F)CC1 ZINC000001399220 452659763 /nfs/dbraw/zinc/65/97/63/452659763.db2.gz ROFPXKFTUIZVHP-UHFFFAOYSA-N 0 0 347.821 3.483 50 0 EGAARN COc1ccc(/C=C2\N=C(c3ccccc3Cl)NC2=O)cc1OC ZINC000001441119 452664907 /nfs/dbraw/zinc/66/49/07/452664907.db2.gz FYQWTGHKMRHVKX-ZROIWOOFSA-N 0 0 342.782 3.275 50 0 EGAARN Cc1ccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)sc2=S)cc1 ZINC000001480022 452668105 /nfs/dbraw/zinc/66/81/05/452668105.db2.gz ASFLCIOMNNTHKJ-LBPRGKRZSA-N 0 0 349.481 3.068 50 0 EGAARN CCOC(=O)[C@H](CC)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000001785074 452678225 /nfs/dbraw/zinc/67/82/25/452678225.db2.gz PHNOBRPNFILJKJ-ZDUSSCGKSA-N 0 0 343.408 3.034 50 0 EGAARN CC(C)(CNC(=O)c1ccc(F)cc1)CNC(=O)c1ccc(F)cc1 ZINC000002114999 452686057 /nfs/dbraw/zinc/68/60/57/452686057.db2.gz KZTLYDQOWHPFEE-UHFFFAOYSA-N 0 0 346.377 3.151 50 0 EGAARN COc1cc2c(cc1OC)CN(C(=O)CCc1ccccc1)CC2 ZINC000002129943 452686070 /nfs/dbraw/zinc/68/60/70/452686070.db2.gz STHPPVLUJOUSBI-UHFFFAOYSA-N 0 0 325.408 3.221 50 0 biogenic EGAARN O=C(NC[C@H](O)c1ccccc1)c1cc2c(cn1)[nH]c1ccccc12 ZINC000002120824 452686588 /nfs/dbraw/zinc/68/65/88/452686588.db2.gz ZQIOODSRUQEUQY-IBGZPJMESA-N 0 0 331.375 3.180 50 0 biogenic EGAARN CCCSc1nnc(NC(=O)c2cccc(OC(C)=O)c2)s1 ZINC000002149123 452687167 /nfs/dbraw/zinc/68/71/67/452687167.db2.gz ZUTXUXGHFVYZCF-UHFFFAOYSA-N 0 0 337.426 3.218 50 0 EGAARN S=C(NCCCNC(=S)Nc1ccccc1)Nc1ccccc1 ZINC000002133235 452688878 /nfs/dbraw/zinc/68/88/78/452688878.db2.gz QKXXHJDAEXMAFC-UHFFFAOYSA-N 0 0 344.509 3.350 50 0 EGAARN COc1ccccc1-c1nnc(SCc2c(F)cccc2F)n1N ZINC000002263816 452690262 /nfs/dbraw/zinc/69/02/62/452690262.db2.gz UZBMVZMNCGJYKS-UHFFFAOYSA-N 0 0 348.378 3.238 50 0 EGAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OC)cc21 ZINC000002317520 452692233 /nfs/dbraw/zinc/69/22/33/452692233.db2.gz SCTUGQDHGXYYQH-UHFFFAOYSA-N 0 0 343.173 3.316 50 0 EGAARN COCCOc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000002506189 452701442 /nfs/dbraw/zinc/70/14/42/452701442.db2.gz FPXGLWPLPWYBGN-UHFFFAOYSA-N 0 0 345.786 3.494 50 0 EGAARN O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)cc1Cl ZINC000002659974 452712894 /nfs/dbraw/zinc/71/28/94/452712894.db2.gz UVUSLEJXARRRBL-UHFFFAOYSA-N 0 0 335.146 3.129 50 0 EGAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)oc21 ZINC000002687231 452713860 /nfs/dbraw/zinc/71/38/60/452713860.db2.gz NGBPTWKVHAJNGD-UHFFFAOYSA-N 0 0 344.388 3.251 50 0 EGAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NC(C)(C)C)cc1 ZINC000002677839 452714370 /nfs/dbraw/zinc/71/43/70/452714370.db2.gz RGTKWYCDBPTZGV-FOWTUZBSSA-N 0 0 326.396 3.274 50 0 EGAARN COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(OC)cc1Cl ZINC000002696982 452715151 /nfs/dbraw/zinc/71/51/51/452715151.db2.gz IVHJTSZXUYHESV-UHFFFAOYSA-N 0 0 347.864 3.310 50 0 EGAARN COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1OC ZINC000002721396 452715545 /nfs/dbraw/zinc/71/55/45/452715545.db2.gz MCCPCKWOSOLPSH-LLVKDONJSA-N 0 0 325.368 3.071 50 0 biogenic EGAARN Cc1cc(NC(=O)CSc2nccn2-c2cccc(C)c2)no1 ZINC000002723031 452716495 /nfs/dbraw/zinc/71/64/95/452716495.db2.gz QSPKZCYDQCTQSS-UHFFFAOYSA-N 0 0 328.397 3.208 50 0 EGAARN COc1ccc(-n2nnc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 ZINC000002713272 452716889 /nfs/dbraw/zinc/71/68/89/452716889.db2.gz DUJITFFRVFFOFM-UHFFFAOYSA-N 0 0 342.786 3.490 50 0 EGAARN CCCCOCCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002743484 452718777 /nfs/dbraw/zinc/71/87/77/452718777.db2.gz YTQXLRHGLRYBCF-UHFFFAOYSA-N 0 0 340.272 3.479 50 0 EGAARN CCOc1cc(C=O)c(Br)c(Br)c1OC ZINC000002734155 452719342 /nfs/dbraw/zinc/71/93/42/452719342.db2.gz VPLFFHKLSAPZNC-UHFFFAOYSA-N 0 0 337.995 3.431 50 0 EGAARN CCOC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000002789823 452724377 /nfs/dbraw/zinc/72/43/77/452724377.db2.gz GJYCHWBPLSCIQS-UHFFFAOYSA-N 0 0 340.351 3.400 50 0 EGAARN CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)nn1C ZINC000002801007 452725668 /nfs/dbraw/zinc/72/56/68/452725668.db2.gz GHRDPVFKOPKWCV-UHFFFAOYSA-N 0 0 342.182 3.156 50 0 EGAARN O=C(c1ccco1)n1nc(-c2ccccc2)nc1NCc1ccco1 ZINC000002853224 452729676 /nfs/dbraw/zinc/72/96/76/452729676.db2.gz UIDYJCBKUABRHJ-UHFFFAOYSA-N 0 0 334.335 3.432 50 0 EGAARN COC(=O)c1cn(CC(=O)Nc2ccccc2OC)c2ccccc12 ZINC000002877754 452731961 /nfs/dbraw/zinc/73/19/61/452731961.db2.gz GYJIHUMKBUGEDM-UHFFFAOYSA-N 0 0 338.363 3.075 50 0 EGAARN COc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1 ZINC000002875190 452732144 /nfs/dbraw/zinc/73/21/44/452732144.db2.gz PNKMFZBZJVQPQJ-UHFFFAOYSA-N 0 0 326.308 3.053 50 0 EGAARN Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000002994555 452738597 /nfs/dbraw/zinc/73/85/97/452738597.db2.gz CYMSIFOQJODCSM-UHFFFAOYSA-N 0 0 346.814 3.091 50 0 EGAARN O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1 ZINC000003134445 452744634 /nfs/dbraw/zinc/74/46/34/452744634.db2.gz RNMXGEPXZHKSSY-UHFFFAOYSA-N 0 0 340.329 3.427 50 0 EGAARN Cc1cccc(O[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 ZINC000003130638 452744791 /nfs/dbraw/zinc/74/47/91/452744791.db2.gz BDLBHRAQMOUUDJ-SNVBAGLBSA-N 0 0 325.623 3.341 50 0 EGAARN O=C(COC(=O)c1ccccc1Cl)N1CCCc2ccccc21 ZINC000003241224 452752691 /nfs/dbraw/zinc/75/26/91/452752691.db2.gz XPUXAMAIKGHTMR-UHFFFAOYSA-N 0 0 329.783 3.476 50 0 EGAARN COc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H](C)c1ccccc1 ZINC000003497954 452773843 /nfs/dbraw/zinc/77/38/43/452773843.db2.gz PLOAWDPBNINFJU-GFCCVEGCSA-N 0 0 347.798 3.383 50 0 EGAARN O=C(Nc1nnc(-c2ccncc2)o1)c1ccc(Br)cc1 ZINC000004107477 452793489 /nfs/dbraw/zinc/79/34/89/452793489.db2.gz CXPVFKTWFLHPFL-UHFFFAOYSA-N 0 0 345.156 3.146 50 0 EGAARN CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1 ZINC000004121834 452795681 /nfs/dbraw/zinc/79/56/81/452795681.db2.gz IDUVBZHBUZIJSZ-UHFFFAOYSA-N 0 0 331.460 3.264 50 0 EGAARN Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000004506036 452806325 /nfs/dbraw/zinc/80/63/25/452806325.db2.gz YOAWSYSKQHLFPM-UHFFFAOYSA-N 0 0 347.326 3.248 50 0 in-vitro EGAARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1 ZINC000004551611 452808853 /nfs/dbraw/zinc/80/88/53/452808853.db2.gz CBQXIJXPOPZUPS-UHFFFAOYSA-N 0 0 329.425 3.387 50 0 EGAARN O=C1O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)N1C[C@@H]1CCCO1 ZINC000004689270 452813351 /nfs/dbraw/zinc/81/33/51/452813351.db2.gz FXSNUADDLFFSBE-CMKODMSKSA-N 0 0 339.391 3.204 50 0 EGAARN CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc(O)c1 ZINC000005059542 452834529 /nfs/dbraw/zinc/83/45/29/452834529.db2.gz VBWNAQXFYXHABU-UHFFFAOYSA-N 0 0 331.368 3.085 50 0 EGAARN O=C(Nc1cc2c3c(c1)CCC(=O)N3CC2)c1c(F)cccc1F ZINC000005153356 452840074 /nfs/dbraw/zinc/84/00/74/452840074.db2.gz TUGYSTYJQNQLQU-UHFFFAOYSA-N 0 0 328.318 3.052 50 0 EGAARN O=C(N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1Cl ZINC000005220815 452847508 /nfs/dbraw/zinc/84/75/08/452847508.db2.gz HGQUIFKEADDYGV-GFCCVEGCSA-N 0 0 332.762 3.014 50 0 EGAARN COc1cccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)c1 ZINC000005249138 452851486 /nfs/dbraw/zinc/85/14/86/452851486.db2.gz MVCWWEIZJHSJGA-UHFFFAOYSA-N 0 0 348.815 3.351 50 0 EGAARN Clc1ccccc1-n1ncc2c3nc(-c4cccnc4)nn3cnc21 ZINC000005267435 452853443 /nfs/dbraw/zinc/85/34/43/452853443.db2.gz QJMMNURIZXAZOG-UHFFFAOYSA-N 0 0 347.769 3.179 50 0 EGAARN COc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1OC ZINC000005427502 452870843 /nfs/dbraw/zinc/87/08/43/452870843.db2.gz CTLXYBBWFGIELJ-UHFFFAOYSA-N 0 0 343.314 3.145 50 0 EGAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000005439735 452871924 /nfs/dbraw/zinc/87/19/24/452871924.db2.gz AUTPEIYVZJWLCI-UHFFFAOYSA-N 0 0 340.379 3.083 50 0 EGAARN O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(-n2cnnn2)c1 ZINC000005451094 452873125 /nfs/dbraw/zinc/87/31/25/452873125.db2.gz MHLIYYMAPXVFJD-UHFFFAOYSA-N 0 0 348.193 3.150 50 0 EGAARN Cc1cccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)c1 ZINC000005451739 452875102 /nfs/dbraw/zinc/87/51/02/452875102.db2.gz YAJALTJGITUNFX-UHFFFAOYSA-N 0 0 339.782 3.447 50 0 EGAARN COc1ccccc1-n1c(C)nc2ccc(Br)cc2c1=O ZINC000005478676 452876899 /nfs/dbraw/zinc/87/68/99/452876899.db2.gz CBTFIIUIGOJLGR-UHFFFAOYSA-N 0 0 345.196 3.465 50 0 EGAARN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1n[nH]c(=S)n1C ZINC000005954519 452912708 /nfs/dbraw/zinc/91/27/08/452912708.db2.gz ISDWDXFLAHXIII-ZCFIWIBFSA-N 0 0 331.228 3.275 50 0 EGAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1cc(C)ccn1 ZINC000006401942 452941521 /nfs/dbraw/zinc/94/15/21/452941521.db2.gz UQJGQCSSSZIBEE-SNVBAGLBSA-N 0 0 326.322 3.189 50 0 EGAARN COc1ccccc1OCCSc1nnc2[nH]c3ccccc3n21 ZINC000006427379 452942894 /nfs/dbraw/zinc/94/28/94/452942894.db2.gz ISJMDGQNUCYTHO-UHFFFAOYSA-N 0 0 340.408 3.390 50 0 EGAARN O=C(Nc1cccc(Cl)c1Cl)c1cnc2sccn2c1=O ZINC000006480250 452947519 /nfs/dbraw/zinc/94/75/19/452947519.db2.gz PRSCDCTXCSJFCI-UHFFFAOYSA-N 0 0 340.191 3.315 50 0 EGAARN CC(=O)O[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)c1ccccc1 ZINC000006467917 452947608 /nfs/dbraw/zinc/94/76/08/452947608.db2.gz FSHUNTGHTCJAFQ-HNAYVOBHSA-N 0 0 325.408 3.428 50 0 EGAARN CCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCC ZINC000006539757 452951260 /nfs/dbraw/zinc/95/12/60/452951260.db2.gz DERHPKOWIGYJGK-UHFFFAOYSA-N 0 0 343.379 3.280 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345.779 3.297 50 0 EGAARN O=C(NCc1ccco1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000006772593 452986162 /nfs/dbraw/zinc/98/61/62/452986162.db2.gz URXXTMJEEZAUFB-LJQANCHMSA-N 0 0 346.386 3.293 50 0 EGAARN COc1ccc(NC(=O)c2cc(-c3ccccc3O)no2)cc1OC ZINC000006873265 453000019 /nfs/dbraw/zinc/00/00/19/453000019.db2.gz FRNLRZIHCHOMGN-UHFFFAOYSA-N 0 0 340.335 3.317 50 0 EGAARN CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000006960173 453012644 /nfs/dbraw/zinc/01/26/44/453012644.db2.gz VYHHHPCIXRYYSV-UHFFFAOYSA-N 0 0 340.408 3.425 50 0 EGAARN Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000007508418 453083920 /nfs/dbraw/zinc/08/39/20/453083920.db2.gz XVCRDKUNCFPNBU-UHFFFAOYSA-N 0 0 336.395 3.074 50 0 EGAARN COc1ccc(CNc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000007615806 453093770 /nfs/dbraw/zinc/09/37/70/453093770.db2.gz NBLJHKJITZPHNH-UHFFFAOYSA-N 0 0 335.407 3.470 50 0 EGAARN S=C(NC[C@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1 ZINC000007642792 453097105 /nfs/dbraw/zinc/09/71/05/453097105.db2.gz UYSHUEILUKYCOB-ZDUSSCGKSA-N 0 0 334.828 3.466 50 0 EGAARN CCc1noc(C)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000008137567 453166550 /nfs/dbraw/zinc/16/65/50/453166550.db2.gz KDGLRYOAJQCGPD-UHFFFAOYSA-N 0 0 327.428 3.125 50 0 EGAARN NC(=O)c1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000008312171 453189035 /nfs/dbraw/zinc/18/90/35/453189035.db2.gz XUIMQYUSWZWSJG-UHFFFAOYSA-N 0 0 329.743 3.068 50 0 EGAARN CC(C)CCOc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000008567712 453214809 /nfs/dbraw/zinc/21/48/09/453214809.db2.gz FDZSHKJQWFINKL-UHFFFAOYSA-N 0 0 326.396 3.463 50 0 EGAARN CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC)cc1 ZINC000008722938 453226019 /nfs/dbraw/zinc/22/60/19/453226019.db2.gz XIZAKKLYCWHXJF-UHFFFAOYSA-N 0 0 326.396 3.477 50 0 EGAARN CNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000008722990 453229214 /nfs/dbraw/zinc/22/92/14/453229214.db2.gz XJKYZRZNBTUILR-UHFFFAOYSA-N 0 0 326.396 3.187 50 0 EGAARN Cc1c(C)n(-c2ccccn2)c2ncn3nc(-c4ccccn4)nc3c12 ZINC000009340682 453250788 /nfs/dbraw/zinc/25/07/88/453250788.db2.gz QVLOPZIXCZWMPF-UHFFFAOYSA-N 0 0 341.378 3.142 50 0 EGAARN CN(C(=O)c1cn(Cc2ccccc2Cl)nn1)C1CCCCC1 ZINC000012226272 453350242 /nfs/dbraw/zinc/35/02/42/453350242.db2.gz COKAYSLKUSKDDJ-UHFFFAOYSA-N 0 0 332.835 3.385 50 0 EGAARN O=C(C1CCCCCC1)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000012298366 453354528 /nfs/dbraw/zinc/35/45/28/453354528.db2.gz NFFGSVKYKMNDKO-HXUWFJFHSA-N 0 0 332.488 3.208 50 0 EGAARN CN(C(=O)c1cc(C(F)(F)F)nn1C)C12CC3CC(CC(C3)C1)C2 ZINC000012649807 453387625 /nfs/dbraw/zinc/38/76/25/453387625.db2.gz AVFVVVHMOZRQHR-UHFFFAOYSA-N 0 0 341.377 3.480 50 0 EGAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)[C@@H]1CCOC1 ZINC000012702979 453392325 /nfs/dbraw/zinc/39/23/25/453392325.db2.gz CXUSBRNALXYJQE-GOSISDBHSA-N 0 0 349.434 3.471 50 0 EGAARN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1 ZINC000012717627 453393497 /nfs/dbraw/zinc/39/34/97/453393497.db2.gz KQPLDOCNPIRWLQ-MRXNPFEDSA-N 0 0 329.469 3.237 50 0 EGAARN COc1ccccc1CNC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000012781810 453405002 /nfs/dbraw/zinc/40/50/02/453405002.db2.gz CDZLLUDZSGLWMF-UHFFFAOYSA-N 0 0 337.379 3.347 50 0 EGAARN CCC(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000012856854 453415436 /nfs/dbraw/zinc/41/54/36/453415436.db2.gz OOPWMRRWYBPBCC-UHFFFAOYSA-N 0 0 341.430 3.496 50 0 EGAARN COc1ccc([C@H]2C[C@@H](c3cccs3)n3nc(N)nc3N2)cc1 ZINC000013131497 453446170 /nfs/dbraw/zinc/44/61/70/453446170.db2.gz LIMYWNLUDQCDKK-OLZOCXBDSA-N 0 0 327.413 3.077 50 0 EGAARN COc1cccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)c1 ZINC000013131261 453446227 /nfs/dbraw/zinc/44/62/27/453446227.db2.gz USCVRRBVYMUMHJ-IRXDYDNUSA-N 0 0 335.411 3.324 50 0 aggregator EGAARN COc1ccc(-c2ncncc2-c2csc(C)n2)c(O)c1OC ZINC000013122636 453447806 /nfs/dbraw/zinc/44/78/06/453447806.db2.gz XWJZYIJMSYKESC-UHFFFAOYSA-N 0 0 329.381 3.298 50 0 EGAARN COc1ccccc1N1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000013320318 453458156 /nfs/dbraw/zinc/45/81/56/453458156.db2.gz VVYGQABJYKSTJA-UHFFFAOYSA-N 0 0 343.402 3.497 50 0 EGAARN 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/nfs/dbraw/zinc/22/73/62/454227362.db2.gz ULYMTKPQJBFZTJ-UHFFFAOYSA-N 0 0 332.429 3.042 50 0 EGAARN CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2ccn(C)c2c1 ZINC000095526030 454228081 /nfs/dbraw/zinc/22/80/81/454228081.db2.gz SIWONWRBLCAAMZ-UHFFFAOYSA-N 0 0 332.407 3.337 50 0 EGAARN CN(Cc1nc(-c2cnccn2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000095544078 454230374 /nfs/dbraw/zinc/23/03/74/454230374.db2.gz MCWGBQGVVIDQFA-UHFFFAOYSA-N 0 0 349.316 3.177 50 0 EGAARN Cc1nc([C@H]2CN(Cc3c(Cl)ccc4cccnc43)CCO2)no1 ZINC000095958031 454237870 /nfs/dbraw/zinc/23/78/70/454237870.db2.gz DVVUVJLQEWSKND-OAHLLOKOSA-N 0 0 344.802 3.153 50 0 EGAARN CCN(Cc1cnc2ccccn12)C(=O)NCc1ccc(OC)cc1 ZINC000096025078 454264688 /nfs/dbraw/zinc/26/46/88/454264688.db2.gz HKBIWBBSNAHRFO-UHFFFAOYSA-N 0 0 338.411 3.075 50 0 EGAARN CCOc1ccc(C(=O)NC[C@H](O)c2ccc(SC)cc2)cc1 ZINC000096103068 454282260 /nfs/dbraw/zinc/28/22/60/454282260.db2.gz YNTNHMYBTSWFOZ-KRWDZBQOSA-N 0 0 331.437 3.271 50 0 EGAARN CO[C@H](CNS(=O)(=O)Cc1cccc(C)c1)c1ccc(C)s1 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331.387 3.271 50 0 EGAARN O=C(CCSc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000120786519 454347625 /nfs/dbraw/zinc/34/76/25/454347625.db2.gz PBLXWBOSKZMXPV-MRXNPFEDSA-N 0 0 328.437 3.244 50 0 EGAARN COCCN(Cc1ccncc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000061974775 454364146 /nfs/dbraw/zinc/36/41/46/454364146.db2.gz JLGPBSXFRQRAAA-UHFFFAOYSA-N 0 0 338.329 3.389 50 0 EGAARN O=C(Cc1nnc(-c2cccc(F)c2)o1)NCc1cccc(Cl)c1 ZINC000062007243 454364882 /nfs/dbraw/zinc/36/48/82/454364882.db2.gz JFPIFABETMCQDR-UHFFFAOYSA-N 0 0 345.761 3.388 50 0 EGAARN COc1cccc(-c2nc3c([nH]2)CN(c2cc(C4CC4)ncn2)CC3)c1 ZINC000097117407 454412878 /nfs/dbraw/zinc/41/28/78/454412878.db2.gz WUUKPPGWXASUCB-UHFFFAOYSA-N 0 0 347.422 3.315 50 0 EGAARN COCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000091254349 454419556 /nfs/dbraw/zinc/41/95/56/454419556.db2.gz BEKPUMZGXBXQFK-INIZCTEOSA-N 0 0 329.799 3.182 50 0 EGAARN CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000047976651 454427216 /nfs/dbraw/zinc/42/72/16/454427216.db2.gz 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/nfs/dbraw/zinc/55/88/20/454558820.db2.gz CGDMSIQOWBUWPI-UHFFFAOYSA-N 0 0 340.471 3.068 50 0 EGAARN COc1cccc(-c2nc3c([nH]2)C(=O)NC[C@H](c2ccccc2)C3)c1 ZINC000065406965 454561079 /nfs/dbraw/zinc/56/10/79/454561079.db2.gz JUHATEOEPUJMTQ-OAHLLOKOSA-N 0 0 333.391 3.155 50 0 EGAARN CNc1ncccc1[C@@H]1C[C@H](NC(C)=O)C[C@H](C2CCCCC2)O1 ZINC000065422295 454563966 /nfs/dbraw/zinc/56/39/66/454563966.db2.gz UJVNAOWOZHERSK-NXHRZFHOSA-N 0 0 331.460 3.428 50 0 EGAARN Cc1nc(-c2c(-c3ccccc3)ncn2CCCN2CCCC2=O)c[nH]1 ZINC000065431647 454567023 /nfs/dbraw/zinc/56/70/23/454567023.db2.gz BUNWFJPQLDYFGL-UHFFFAOYSA-N 0 0 349.438 3.261 50 0 EGAARN CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2nn(C)cc2Cl)C1 ZINC000065434609 454567299 /nfs/dbraw/zinc/56/72/99/454567299.db2.gz JPWMLPFSCHLZHK-BMFZPTHFSA-N 0 0 339.867 3.379 50 0 EGAARN CCCc1c(-c2ccccc2)ncn1C1CCN(CC(=O)OC)CC1 ZINC000065454412 454570912 /nfs/dbraw/zinc/57/09/12/454570912.db2.gz WVVRLBKUPJMIAM-UHFFFAOYSA-N 0 0 341.455 3.313 50 0 EGAARN 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ZINC000051315899 214087904 /nfs/dbraw/zinc/08/79/04/214087904.db2.gz YVJJIMYDZSRUOQ-UHFFFAOYSA-N 0 0 325.343 3.154 50 0 EGAARN Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2Cl)c1 ZINC000051356754 214090826 /nfs/dbraw/zinc/09/08/26/214090826.db2.gz AZUTYAUTSGMIDZ-UHFFFAOYSA-N 0 0 335.762 3.261 50 0 EGAARN CC(=O)c1cccc(C(=O)OCC(=O)N(C)c2cccc(C)c2)c1 ZINC000051357109 214091556 /nfs/dbraw/zinc/09/15/56/214091556.db2.gz CLSLEFGZEBWROI-UHFFFAOYSA-N 0 0 325.364 3.017 50 0 EGAARN O=C(NCc1ccc(F)c(F)c1F)c1cccc(-c2ncc[nH]2)c1 ZINC000097660705 219045809 /nfs/dbraw/zinc/04/58/09/219045809.db2.gz NLKVKRQXMGQPTE-UHFFFAOYSA-N 0 0 331.297 3.424 50 0 EGAARN O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ccc2nccnc2c1 ZINC000097679754 219046961 /nfs/dbraw/zinc/04/69/61/219046961.db2.gz BBUSUYUEAAEQIB-AWEZNQCLSA-N 0 0 332.285 3.058 50 0 EGAARN CCC(=O)Nc1cc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)ccc1C ZINC000097694736 219048483 /nfs/dbraw/zinc/04/84/83/219048483.db2.gz BJTYGNVXRSJSKW-GFCCVEGCSA-N 0 0 343.431 3.128 50 0 EGAARN O=C1[C@@H]2CS[C@H](c3ccc(F)cc3)N2C(=O)N1c1ccccc1 ZINC000004698497 210251669 /nfs/dbraw/zinc/25/16/69/210251669.db2.gz VEQMJTYINQXPTI-GOEBONIOSA-N 0 0 328.368 3.409 50 0 EGAARN Cc1nsc(NC(=O)NCc2csc(-c3cccs3)n2)n1 ZINC000055089296 214271120 /nfs/dbraw/zinc/27/11/20/214271120.db2.gz AJNYYWMVTYQRDM-UHFFFAOYSA-N 0 0 337.455 3.353 50 0 EGAARN CC(C)C1=NO[C@H](CNC(=O)CSCc2ccccc2Cl)C1 ZINC000055120355 214275674 /nfs/dbraw/zinc/27/56/74/214275674.db2.gz ORPUTYXHHYDGBU-ZDUSSCGKSA-N 0 0 340.876 3.490 50 0 EGAARN Cc1cc(C)n([C@H](C)CNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)n1 ZINC000097757939 219054352 /nfs/dbraw/zinc/05/43/52/219054352.db2.gz DMRKSLIDFCQXFJ-OAHLLOKOSA-N 0 0 337.427 3.189 50 0 EGAARN Cc1ccc(C(=O)N(C/C=C/c2ccccc2)CCO)c(F)c1F ZINC000055152955 214280593 /nfs/dbraw/zinc/28/05/93/214280593.db2.gz CQMFIBHUPONGPZ-VMPITWQZSA-N 0 0 331.362 3.421 50 0 EGAARN CCN(Cc1ccc([C@@H]2CCCO2)s1)Cc1nc(COC)no1 ZINC000055327823 214307157 /nfs/dbraw/zinc/30/71/57/214307157.db2.gz VKYOYYFXFZFAQX-ZDUSSCGKSA-N 0 0 337.445 3.151 50 0 EGAARN CCC(=O)Nc1cccc(C(=O)N(C)Cc2cnc3ccccc3n2)c1 ZINC000055369734 214312728 /nfs/dbraw/zinc/31/27/28/214312728.db2.gz HKQVSUXJLODEGN-UHFFFAOYSA-N 0 0 348.406 3.251 50 0 EGAARN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000055370011 214313278 /nfs/dbraw/zinc/31/32/78/214313278.db2.gz NRKIZKKWZRICOI-SFHVURJKSA-N 0 0 330.403 3.411 50 0 EGAARN CC[C@@H](C)c1ccccc1OCC(=O)N(C)Cc1nccn1CC ZINC000055386976 214315994 /nfs/dbraw/zinc/31/59/94/214315994.db2.gz XPXSSSCWJSMZAN-OAHLLOKOSA-N 0 0 329.444 3.454 50 0 EGAARN CCn1ncnc1[C@H](C)NCc1c(C)cc(C)c(COC(C)=O)c1C ZINC000055360916 214311654 /nfs/dbraw/zinc/31/16/54/214311654.db2.gz GKMIAGNYMHOZLN-HNNXBMFYSA-N 0 0 344.459 3.137 50 0 EGAARN O=C(NCC1(Cn2cccn2)CC1)c1cccc(-c2ccc(O)cc2)c1 ZINC000055413069 214321822 /nfs/dbraw/zinc/32/18/22/214321822.db2.gz GLWAPVHPOVZRFT-UHFFFAOYSA-N 0 0 347.418 3.466 50 0 EGAARN COc1cccc(CN(CC(C)C)C(=O)CC[C@H]2CCOC2=O)c1 ZINC000055414434 214322801 /nfs/dbraw/zinc/32/28/01/214322801.db2.gz 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/nfs/dbraw/zinc/43/54/98/214435498.db2.gz UGXZWDFNRJXDHT-UHFFFAOYSA-N 0 0 347.846 3.097 50 0 EGAARN CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1ccc(OC)cc1 ZINC000004673354 210242429 /nfs/dbraw/zinc/24/24/29/210242429.db2.gz YYVUVDZATTVYER-MRXNPFEDSA-N 0 0 348.487 3.424 50 0 EGAARN CCCCSc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000004649944 210236409 /nfs/dbraw/zinc/23/64/09/210236409.db2.gz PKDVVMHMDLBHJZ-UHFFFAOYSA-N 0 0 326.443 3.362 50 0 EGAARN O=C1NC(c2ccccc2)=N/C1=C\c1cccc(Br)c1 ZINC000004615697 210231450 /nfs/dbraw/zinc/23/14/50/210231450.db2.gz ABLPZVAIVUJFKN-UVTDQMKNSA-N 0 0 327.181 3.367 50 0 EGAARN O=C(C=Cc1ccco1)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000004599395 210230154 /nfs/dbraw/zinc/23/01/54/210230154.db2.gz PJPWFZWDVOOHEG-ONEGZZNKSA-N 0 0 330.453 3.252 50 0 EGAARN Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OCC(N)=O ZINC000004586248 210227135 /nfs/dbraw/zinc/22/71/35/210227135.db2.gz APOQEGZWXHFSCH-UHFFFAOYSA-N 0 0 349.342 3.379 50 0 biogenic EGAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2cccnc2[nH]1 ZINC000004575484 210225066 /nfs/dbraw/zinc/22/50/66/210225066.db2.gz NBASNFBXXTUQMO-UHFFFAOYSA-N 0 0 348.815 3.351 50 0 EGAARN Cc1noc(C)c1CN1CCCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000098211894 219087239 /nfs/dbraw/zinc/08/72/39/219087239.db2.gz XNBVKNGOFFTBKC-HNNXBMFYSA-N 0 0 341.455 3.129 50 0 EGAARN Cc1ccc(O)c(NC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000004504980 210208092 /nfs/dbraw/zinc/20/80/92/210208092.db2.gz YDYHOQICFWDJLA-INIZCTEOSA-N 0 0 330.771 3.486 50 0 EGAARN COc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1OC ZINC000004479379 210198456 /nfs/dbraw/zinc/19/84/56/210198456.db2.gz HJPQSPHSSAUMGV-UHFFFAOYSA-N 0 0 331.353 3.068 50 0 EGAARN CCOc1ccccc1-c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000049410124 214006368 /nfs/dbraw/zinc/00/63/68/214006368.db2.gz APJRXSVBTARAKP-UHFFFAOYSA-N 0 0 333.351 3.383 50 0 EGAARN Cc1ccc(-n2ncc3c2ncn(Cc2ccc(F)cc2)c3=O)c(C)c1 ZINC000004479290 210198003 /nfs/dbraw/zinc/19/80/03/210198003.db2.gz AXAQJTDSHZOTNH-UHFFFAOYSA-N 0 0 348.381 3.386 50 0 EGAARN COc1ccccc1CNC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000004472972 210196821 /nfs/dbraw/zinc/19/68/21/210196821.db2.gz WCJOMEMUKCAQIX-UHFFFAOYSA-N 0 0 326.396 3.220 50 0 biogenic EGAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)OC(C)(C)C ZINC000049375967 214003539 /nfs/dbraw/zinc/00/35/39/214003539.db2.gz NEMACYOTLJFCOF-UHFFFAOYSA-N 0 0 343.221 3.221 50 0 EGAARN CCOc1ccc(N[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000101129417 219117122 /nfs/dbraw/zinc/11/71/22/219117122.db2.gz WWIZUPROARGBNH-KDOFPFPSSA-N 0 0 338.407 3.386 50 0 EGAARN CN(C)c1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000004317737 210168497 /nfs/dbraw/zinc/16/84/97/210168497.db2.gz NQDZLYLGVFNNQD-MRXNPFEDSA-N 0 0 343.814 3.150 50 0 EGAARN O=c1oc2c(cc(NS(=O)(=O)c3ccccc3)cc2Cl)s1 ZINC000004281924 210161564 /nfs/dbraw/zinc/16/15/64/210161564.db2.gz KPNMGRHHTBEMGA-UHFFFAOYSA-N 0 0 341.797 3.309 50 0 EGAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1cccc(Cn2cc(Cl)cn2)c1 ZINC000101593325 219143029 /nfs/dbraw/zinc/14/30/29/219143029.db2.gz QCLZZYJTFBACBB-IYBDPMFKSA-N 0 0 343.814 3.264 50 0 EGAARN CCOC(=O)CCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065406515 214896637 /nfs/dbraw/zinc/89/66/37/214896637.db2.gz UJCXLUAKNIBZRG-UHFFFAOYSA-N 0 0 340.379 3.256 50 0 EGAARN CCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21 ZINC000004193261 210142768 /nfs/dbraw/zinc/14/27/68/210142768.db2.gz QTKQLRQJBSCNLX-UHFFFAOYSA-N 0 0 349.358 3.132 50 0 EGAARN Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1[C@H](C)C(N)=O)OCO2 ZINC000065469979 214922419 /nfs/dbraw/zinc/92/24/19/214922419.db2.gz QLDGYYGKSVXEGM-CYBMUJFWSA-N 0 0 349.390 3.301 50 0 EGAARN Cc1noc(C)c1CN1C(=O)COc2ccc(-c3cscn3)cc21 ZINC000031869947 282383066 /nfs/dbraw/zinc/38/30/66/282383066.db2.gz QTYFDZCSDZUKNC-UHFFFAOYSA-N 0 0 341.392 3.341 50 0 EGAARN CC[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccnn1C ZINC000065507579 214938041 /nfs/dbraw/zinc/93/80/41/214938041.db2.gz JHXPKMRNKKSPFG-OAHLLOKOSA-N 0 0 340.452 3.354 50 0 EGAARN Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1 ZINC000004089157 210118129 /nfs/dbraw/zinc/11/81/29/210118129.db2.gz GWVDEABGLCPQNS-UHFFFAOYSA-N 0 0 333.313 3.410 50 0 EGAARN COC(=O)c1sccc1-n1cccc1C(=O)NCc1ccccc1 ZINC000004060826 210110655 /nfs/dbraw/zinc/11/06/55/210110655.db2.gz BKQDTTQTEZQLJI-UHFFFAOYSA-N 0 0 340.404 3.255 50 0 EGAARN CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000004056219 210108574 /nfs/dbraw/zinc/10/85/74/210108574.db2.gz HDZDHKXOCNTBFJ-VXGBXAGGSA-N 0 0 330.380 3.391 50 0 EGAARN CCOC(=O)[C@@H](CC)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000004042593 210107913 /nfs/dbraw/zinc/10/79/13/210107913.db2.gz FTZJVPYHVXJDBS-ZYHUDNBSSA-N 0 0 334.441 3.097 50 0 EGAARN COc1cc(/C=C/c2ccc(O)c(OC)c2)c(OC)c2c1OCO2 ZINC000066088586 215008817 /nfs/dbraw/zinc/00/88/17/215008817.db2.gz UPAMONOQQQWURV-GQCTYLIASA-N 0 0 330.336 3.317 50 0 EGAARN O=C(NCc1cccs1)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000003908179 210091813 /nfs/dbraw/zinc/09/18/13/210091813.db2.gz JOSWXHBYKICEJY-UHFFFAOYSA-N 0 0 328.349 3.062 50 0 EGAARN O=C(Nc1ccccc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000102301392 219193880 /nfs/dbraw/zinc/19/38/80/219193880.db2.gz ABUROWVFJUVHAR-HDICACEKSA-N 0 0 346.386 3.395 50 0 EGAARN COc1cc2c(cc1NS(=O)(=O)N1CCCC1)oc1ccccc12 ZINC000003624932 210068794 /nfs/dbraw/zinc/06/87/94/210068794.db2.gz WVIWIPNKRQRVAY-UHFFFAOYSA-N 0 0 346.408 3.347 50 0 EGAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(=O)[nH]c2)ccc1F ZINC000102386870 219199398 /nfs/dbraw/zinc/19/93/98/219199398.db2.gz NSGSXGHCNDZQOY-BJWYYQGGSA-N 0 0 340.398 3.373 50 0 EGAARN CCOC(=O)C[C@H](NC(=O)c1ccccc1F)c1ccc(OC)cc1 ZINC000003622597 210067522 /nfs/dbraw/zinc/06/75/22/210067522.db2.gz WGWGGAKUIADWNP-KRWDZBQOSA-N 0 0 345.370 3.259 50 0 EGAARN CCCN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000044447321 213625475 /nfs/dbraw/zinc/62/54/75/213625475.db2.gz JSTLTRRTULEKGH-UHFFFAOYSA-N 0 0 343.445 3.497 50 0 EGAARN CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccc(Cl)cc1 ZINC000043804378 213597869 /nfs/dbraw/zinc/59/78/69/213597869.db2.gz OINUTQSDVPDELL-UHFFFAOYSA-N 0 0 344.802 3.411 50 0 EGAARN Cc1ccccc1Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000067259993 215129025 /nfs/dbraw/zinc/12/90/25/215129025.db2.gz PSTBLYHAUWAHCT-UHFFFAOYSA-N 0 0 334.354 3.054 50 0 EGAARN COc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1 ZINC000067261854 215129171 /nfs/dbraw/zinc/12/91/71/215129171.db2.gz SLULEFHLCCUNIL-CQSZACIVSA-N 0 0 336.395 3.075 50 0 EGAARN COc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 ZINC000067197756 215122933 /nfs/dbraw/zinc/12/29/33/215122933.db2.gz SURLNOWEJSOGBN-CQSZACIVSA-N 0 0 327.380 3.038 50 0 EGAARN COc1ccc(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067206289 215123971 /nfs/dbraw/zinc/12/39/71/215123971.db2.gz PXSAPAHXQNBPHD-UHFFFAOYSA-N 0 0 338.451 3.317 50 0 EGAARN COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(N)=O ZINC000067298418 215131627 /nfs/dbraw/zinc/13/16/27/215131627.db2.gz FKEUPEJHGSOHFM-JZJYNLBNSA-N 0 0 344.754 3.132 50 0 EGAARN Cc1cnc(NCc2cccnc2N(C)Cc2ccccc2)nc1N ZINC000067459747 215149177 /nfs/dbraw/zinc/14/91/77/215149177.db2.gz NVRZMWMDSJKRKC-UHFFFAOYSA-N 0 0 334.427 3.011 50 0 EGAARN COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3nccs3)[nH]n2)cc1 ZINC000067541440 215159558 /nfs/dbraw/zinc/15/95/58/215159558.db2.gz ZJUDYEMPFYDYBX-NSHDSACASA-N 0 0 342.424 3.375 50 0 EGAARN COc1ccc(-c2nccn2Cc2nc(CC(C)C)no2)cc1OC ZINC000067603939 215167334 /nfs/dbraw/zinc/16/73/34/215167334.db2.gz HQQSUBKDGWZCCK-UHFFFAOYSA-N 0 0 342.399 3.197 50 0 EGAARN c1cc(-c2ccc(CN(Cc3ccccn3)C[C@H]3CCCO3)o2)n[nH]1 ZINC000067673410 215179000 /nfs/dbraw/zinc/17/90/00/215179000.db2.gz GJIIZYJNQZGGLO-MRXNPFEDSA-N 0 0 338.411 3.246 50 0 EGAARN CNc1cc(C(=O)N2CCC(c3nc4c(cccc4C)[nH]3)CC2)ccn1 ZINC000067692279 215188110 /nfs/dbraw/zinc/18/81/10/215188110.db2.gz ZRFVAYVCMKWBES-UHFFFAOYSA-N 0 0 349.438 3.328 50 0 EGAARN CN(C(=O)c1cccc(Cn2cccn2)c1)C1Cc2ccccc2C1 ZINC000067754840 215202638 /nfs/dbraw/zinc/20/26/38/215202638.db2.gz KGGXRXRTSFCEOK-UHFFFAOYSA-N 0 0 331.419 3.171 50 0 EGAARN CC[C@H](Nc1cccc(OC)c1)C(=O)Nc1cnc2n1CCCC2 ZINC000067741411 215200813 /nfs/dbraw/zinc/20/08/13/215200813.db2.gz HYDSOHKLKDMIGO-HNNXBMFYSA-N 0 0 328.416 3.057 50 0 EGAARN Cc1cnc(NCc2cccnc2N2CCCCCCC2)nc1N ZINC000067790034 215213470 /nfs/dbraw/zinc/21/34/70/215213470.db2.gz WHRXRUKWDGPOGO-UHFFFAOYSA-N 0 0 326.448 3.145 50 0 EGAARN COc1ccc(-c2nnc(NC(=O)Nc3ccccc3)o2)c(OC)c1 ZINC000042381183 213500134 /nfs/dbraw/zinc/50/01/34/213500134.db2.gz DQOFWLPEDOPWCN-UHFFFAOYSA-N 0 0 340.339 3.398 50 0 EGAARN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCc2n[nH]cc2C1 ZINC000067854968 215231355 /nfs/dbraw/zinc/23/13/55/215231355.db2.gz CYDLJSXNJMJCAX-UHFFFAOYSA-N 0 0 330.338 3.210 50 0 EGAARN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cnccn1 ZINC000002868730 209932127 /nfs/dbraw/zinc/93/21/27/209932127.db2.gz RHNIKFQDSSNCRC-UHFFFAOYSA-N 0 0 327.347 3.339 50 0 EGAARN COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H](CNC(C)=O)C1 ZINC000067834007 215225166 /nfs/dbraw/zinc/22/51/66/215225166.db2.gz RQWQPDAEJKWDMH-LBPRGKRZSA-N 0 0 345.270 3.350 50 0 EGAARN CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cccc3cnccc31)C2 ZINC000067894618 215243906 /nfs/dbraw/zinc/24/39/06/215243906.db2.gz OVIDIWYEHRGKJQ-UHFFFAOYSA-N 0 0 332.407 3.478 50 0 EGAARN CN(Cc1nc2ccccc2n1C)Cc1ccc2cccc(O)c2n1 ZINC000067934541 215253157 /nfs/dbraw/zinc/25/31/57/215253157.db2.gz JJRTUKIOQPHYCA-UHFFFAOYSA-N 0 0 332.407 3.459 50 0 EGAARN CCn1nc(C)c([C@H](C)NC(=O)c2c(C)[nH]c(C(C)=O)c2C)c1C ZINC000067975505 215265149 /nfs/dbraw/zinc/26/51/49/215265149.db2.gz NKGOYYYYIZFOMS-NSHDSACASA-N 0 0 330.432 3.158 50 0 EGAARN O=C(CSc1nc2ccccc2[nH]1)Nc1cccc2c1OCCO2 ZINC000002786307 209913214 /nfs/dbraw/zinc/91/32/14/209913214.db2.gz JQUWTVYLKBMILO-UHFFFAOYSA-N 0 0 341.392 3.065 50 0 EGAARN Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(C)c(F)c3)nc2n1 ZINC000002768370 209907202 /nfs/dbraw/zinc/90/72/02/209907202.db2.gz YBBGKQXPDVBPMN-UHFFFAOYSA-N 0 0 335.289 3.070 50 0 EGAARN COc1cccc2c1ccn2CCNC(=O)Cc1c[nH]c2ccccc12 ZINC000040819846 213390292 /nfs/dbraw/zinc/39/02/92/213390292.db2.gz CGZKPYJOZXSAPO-UHFFFAOYSA-N 0 0 347.418 3.490 50 0 biogenic EGAARN CCCOC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1 ZINC000001771318 209791635 /nfs/dbraw/zinc/79/16/35/209791635.db2.gz YQNBYPHYOIJAKJ-UHFFFAOYSA-N 0 0 343.379 3.280 50 0 EGAARN CC(=O)Nc1cccc(NC(=O)c2csc(NCC(C)C)n2)c1 ZINC000040288601 213289931 /nfs/dbraw/zinc/28/99/31/213289931.db2.gz VMGCWCITFFZKOA-UHFFFAOYSA-N 0 0 332.429 3.422 50 0 EGAARN CC(C)Cc1nnc(NC(=O)Cn2ccc3ccc(F)cc32)s1 ZINC000040285335 213287903 /nfs/dbraw/zinc/28/79/03/213287903.db2.gz CNBMPBXKKCWFBM-UHFFFAOYSA-N 0 0 332.404 3.469 50 0 EGAARN COc1ccc2c(ccn2CC(=O)Nc2nnc(C3CC3)s2)c1 ZINC000040287657 213289088 /nfs/dbraw/zinc/28/90/88/213289088.db2.gz KKYMEFYESJYRAB-UHFFFAOYSA-N 0 0 328.397 3.018 50 0 EGAARN COc1ccccc1[C@H]1CC(=O)Nc2c1ncn2-c1cccc(F)c1 ZINC000040267877 213286240 /nfs/dbraw/zinc/28/62/40/213286240.db2.gz FIDGHJNCXWZWJJ-OAHLLOKOSA-N 0 0 337.354 3.494 50 0 EGAARN CCCCc1nnc(NC(=O)Cn2ccc3cc(OC)ccc32)s1 ZINC000040267737 213285977 /nfs/dbraw/zinc/28/59/77/213285977.db2.gz CLHFSDCZWCDLLE-UHFFFAOYSA-N 0 0 344.440 3.483 50 0 EGAARN Cn1c(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc2ccccc21 ZINC000040266787 213285890 /nfs/dbraw/zinc/28/58/90/213285890.db2.gz ASAMFPSAULDDIZ-CYBMUJFWSA-N 0 0 328.397 3.134 50 0 EGAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000001426257 209746464 /nfs/dbraw/zinc/74/64/64/209746464.db2.gz CEXXKAGYYBHECW-UHFFFAOYSA-N 0 0 325.368 3.248 50 0 EGAARN CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000038857729 213228907 /nfs/dbraw/zinc/22/89/07/213228907.db2.gz CQFOOJDPHNDZCP-UHFFFAOYSA-N 0 0 334.379 3.142 50 0 EGAARN CCCN1c2ccccc2[C@](O)([C@H]2CCc3ccccc3C2=O)C1=O ZINC000001066631 209707372 /nfs/dbraw/zinc/70/73/72/209707372.db2.gz OZWTVDJXHBNDFT-UWJYYQICSA-N 0 0 335.403 3.076 50 0 EGAARN COc1cccc(CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000038746803 213222707 /nfs/dbraw/zinc/22/27/07/213222707.db2.gz RBBBZKLZWCCIKN-UHFFFAOYSA-N 0 0 327.315 3.066 50 0 EGAARN CSc1ccccc1C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000038677384 213220579 /nfs/dbraw/zinc/22/05/79/213220579.db2.gz OHKXGYSYDWGMDQ-UHFFFAOYSA-N 0 0 338.432 3.496 50 0 EGAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000000800367 209686913 /nfs/dbraw/zinc/68/69/13/209686913.db2.gz RUIKBMQCTTVZBY-CQSZACIVSA-N 0 0 330.428 3.205 50 0 EGAARN Cc1cc(I)cnc1NC(=O)OC(C)(C)C ZINC000038538266 213213939 /nfs/dbraw/zinc/21/39/39/213213939.db2.gz FHYQGTNIXKGNCL-UHFFFAOYSA-N 0 0 334.157 3.342 50 0 EGAARN C[C@H]1CCCCN1C(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000038497794 213212030 /nfs/dbraw/zinc/21/20/30/213212030.db2.gz FCEFZOPURWBVBQ-LBPRGKRZSA-N 0 0 328.368 3.014 50 0 EGAARN COc1ccccc1NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000038489890 213210876 /nfs/dbraw/zinc/21/08/76/213210876.db2.gz NXWVTSTXBXXQJQ-UHFFFAOYSA-N 0 0 339.395 3.160 50 0 EGAARN COc1ccc(Cn2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1OC ZINC000000525671 209647949 /nfs/dbraw/zinc/64/79/49/209647949.db2.gz VOZAXHVBLBLPLA-UHFFFAOYSA-N 0 0 349.390 3.252 50 0 biogenic EGAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1C ZINC000000474455 209625138 /nfs/dbraw/zinc/62/51/38/209625138.db2.gz DLYFIJRJVBGQBM-RMKNXTFCSA-N 0 0 334.372 3.419 50 0 EGAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccccc1OC ZINC000000469717 209620931 /nfs/dbraw/zinc/62/09/31/209620931.db2.gz QTBPDUBKULZMQE-UHFFFAOYSA-N 0 0 342.395 3.451 50 0 EGAARN CSc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)cc1 ZINC000000462314 209615331 /nfs/dbraw/zinc/61/53/31/209615331.db2.gz DVGXWJVOMNCNNV-CQSZACIVSA-N 0 0 336.482 3.153 50 0 EGAARN CSc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC(C)C)cc1 ZINC000000462316 209615250 /nfs/dbraw/zinc/61/52/50/209615250.db2.gz DVGXWJVOMNCNNV-AWEZNQCLSA-N 0 0 336.482 3.153 50 0 EGAARN Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccccc3)c2)nn1 ZINC000036708138 213112284 /nfs/dbraw/zinc/11/22/84/213112284.db2.gz DWNQYIWBQXHQKS-UHFFFAOYSA-N 0 0 341.392 3.378 50 0 EGAARN COc1ccc(CCNC(=O)CCCc2ccccc2)cc1OC ZINC000000458250 209612204 /nfs/dbraw/zinc/61/22/04/209612204.db2.gz HGRRPRXSZHLBAZ-UHFFFAOYSA-N 0 0 327.424 3.385 50 0 biogenic EGAARN CN1c2ccccc2C(=O)[C@@](Br)(Cc2ccccc2)C1=O ZINC000000158165 283265019 /nfs/dbraw/zinc/26/50/19/283265019.db2.gz IMACAKAEIRNKPG-KRWDZBQOSA-N 0 0 344.208 3.222 50 0 EGAARN O=C(NCc1cc(-c2cccs2)on1)c1cc(-c2ccco2)n[nH]1 ZINC000036662409 213109071 /nfs/dbraw/zinc/10/90/71/213109071.db2.gz KEEQHKGERATGLU-UHFFFAOYSA-N 0 0 340.364 3.316 50 0 EGAARN COc1nn(C)cc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000036640477 213106597 /nfs/dbraw/zinc/10/65/97/213106597.db2.gz ZFVOTUPMHUTJKO-UHFFFAOYSA-N 0 0 348.362 3.489 50 0 EGAARN COC(=O)c1c(NC(=O)NCc2ccccc2)sc2c1CCC2 ZINC000036646050 213107343 /nfs/dbraw/zinc/10/73/43/213107343.db2.gz JCEQLCGNEBESHQ-UHFFFAOYSA-N 0 0 330.409 3.345 50 0 EGAARN Cc1snnc1-c1nn2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000036559002 213099965 /nfs/dbraw/zinc/09/99/65/213099965.db2.gz FYILTDFRZNFISQ-UHFFFAOYSA-N 0 0 334.817 3.333 50 0 EGAARN Cc1cnc(NC(=O)CCCn2sc3ccccc3c2=O)s1 ZINC000036366466 213090395 /nfs/dbraw/zinc/09/03/95/213090395.db2.gz SPVHQIWOLXEMTE-UHFFFAOYSA-N 0 0 333.438 3.247 50 0 EGAARN O=C(NCCCn1ccnc1)c1cc2occc2n1Cc1ccccc1 ZINC000036357608 213088985 /nfs/dbraw/zinc/08/89/85/213088985.db2.gz FMJLPLSRUIDMIT-UHFFFAOYSA-N 0 0 348.406 3.299 50 0 EGAARN O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Oc1ccc(F)cc1 ZINC000035682657 213046472 /nfs/dbraw/zinc/04/64/72/213046472.db2.gz HJCAKFCQTXVMTN-INIZCTEOSA-N 0 0 344.386 3.247 50 0 EGAARN C[C@H]1Cc2cc(-c3cc(CC(=O)NCc4ccco4)no3)ccc2O1 ZINC000035592840 213040350 /nfs/dbraw/zinc/04/03/50/213040350.db2.gz KAERTXBXJBBBPA-LBPRGKRZSA-N 0 0 338.363 3.117 50 0 EGAARN CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)on1 ZINC000035511475 213035050 /nfs/dbraw/zinc/03/50/50/213035050.db2.gz WUVYVLHUDGIFGJ-AWEZNQCLSA-N 0 0 343.383 3.377 50 0 EGAARN CC(C)c1nc2c(cnn2C)c(N(C)Cc2ccc(Cl)nc2)n1 ZINC000072128291 216019831 /nfs/dbraw/zinc/01/98/31/216019831.db2.gz WZYSDPPRSXQJOM-UHFFFAOYSA-N 0 0 330.823 3.172 50 0 EGAARN Cc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCOCC2)c1C ZINC000072149487 216036367 /nfs/dbraw/zinc/03/63/67/216036367.db2.gz BANXFQRIJYQAEO-SFHVURJKSA-N 0 0 345.487 3.412 50 0 EGAARN Cc1cc(CNc2nc(CCc3ccccc3)nc3c2cnn3C)on1 ZINC000072165470 216053678 /nfs/dbraw/zinc/05/36/78/216053678.db2.gz PSCVAOFSULSAQC-UHFFFAOYSA-N 0 0 348.410 3.057 50 0 EGAARN CCCc1nc2c(cnn2C)c(NCc2sc(C)nc2CC)n1 ZINC000072166362 216056519 /nfs/dbraw/zinc/05/65/19/216056519.db2.gz SJWZPNPQUXGNSB-UHFFFAOYSA-N 0 0 330.461 3.255 50 0 EGAARN O[C@@H](CNc1cc(-c2ccccc2F)nc2ccnn21)c1ccncc1 ZINC000072167348 216058333 /nfs/dbraw/zinc/05/83/33/216058333.db2.gz ILZNRMCLRNEMOP-KRWDZBQOSA-N 0 0 349.369 3.076 50 0 EGAARN COc1ccc(N[C@H]2CCCN(C(=O)c3cc(C)c[nH]3)C2)cc1OC ZINC000072169681 216061131 /nfs/dbraw/zinc/06/11/31/216061131.db2.gz FGPKYLKMHCYSRJ-HNNXBMFYSA-N 0 0 343.427 3.057 50 0 EGAARN Cn1ccnc1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1 ZINC000072174554 216064890 /nfs/dbraw/zinc/06/48/90/216064890.db2.gz UKGVGCQRUUHWML-GOSISDBHSA-N 0 0 340.471 3.160 50 0 EGAARN Cc1cnc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C)cc2)s1 ZINC000072238258 216078047 /nfs/dbraw/zinc/07/80/47/216078047.db2.gz CXLQWNLHZSRKTJ-GOEBONIOSA-N 0 0 343.452 3.308 50 0 EGAARN O=C(c1nnsc1-c1ccc(Cl)cc1)N1CCSCC1 ZINC000072242941 216082672 /nfs/dbraw/zinc/08/26/72/216082672.db2.gz PKPGBSMDRRABSF-UHFFFAOYSA-N 0 0 325.846 3.048 50 0 EGAARN Cc1ccccc1CNC(=O)CCc1nc(-c2cccc(F)c2)no1 ZINC000072332176 216154590 /nfs/dbraw/zinc/15/45/90/216154590.db2.gz NHKVZXBXRKTADL-UHFFFAOYSA-N 0 0 339.370 3.433 50 0 EGAARN COC(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(OC)cc2)cc1 ZINC000000198432 209478572 /nfs/dbraw/zinc/47/85/72/209478572.db2.gz AULQYZZOCDGFGX-QGZVFWFLSA-N 0 0 343.404 3.260 50 0 EGAARN COC(=O)COc1ccc2c(c1)oc(C)c(-c1csc(C)n1)c2=O ZINC000000178247 209466730 /nfs/dbraw/zinc/46/67/30/209466730.db2.gz LDJKIMYNKDSQAM-UHFFFAOYSA-N 0 0 345.376 3.085 50 0 biogenic EGAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O ZINC000000170560 209461477 /nfs/dbraw/zinc/46/14/77/209461477.db2.gz CNJTVEJROKBISU-LLVKDONJSA-N 0 0 342.782 3.272 50 0 EGAARN CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000000158879 209458110 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Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)cc1 ZINC000299776341 258086714 /nfs/dbraw/zinc/08/67/14/258086714.db2.gz AUHSCZBDKYYUGS-MRXNPFEDSA-N 0 0 341.407 3.188 50 0 EGAARN Cc1ccc2[nH]c(CCNC(=O)c3cc(C(C)C)no3)nc2c1C ZINC000299776747 258087170 /nfs/dbraw/zinc/08/71/70/258087170.db2.gz GWJLZVCIFLPDOP-UHFFFAOYSA-N 0 0 326.400 3.264 50 0 EGAARN COc1ccc(CN(Cc2nnc(C)s2)Cc2ccccn2)cc1 ZINC000299783205 258091073 /nfs/dbraw/zinc/09/10/73/258091073.db2.gz ZDVVJYCUTKOBQT-UHFFFAOYSA-N 0 0 340.452 3.453 50 0 EGAARN CC(C)c1nnsc1CNC(=O)Nc1ccnn1C1CCCC1 ZINC000299787177 258093787 /nfs/dbraw/zinc/09/37/87/258093787.db2.gz PRBRLGKMAJBTLA-UHFFFAOYSA-N 0 0 334.449 3.295 50 0 EGAARN O=C(NCCCC[C@H]1CCCO1)Nc1ccnn1-c1ccccc1 ZINC000299795726 258100410 /nfs/dbraw/zinc/10/04/10/258100410.db2.gz KYCCJXKXSKKILE-INIZCTEOSA-N 0 0 328.416 3.343 50 0 EGAARN CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000299796733 258101098 /nfs/dbraw/zinc/10/10/98/258101098.db2.gz PODRJRJNPVYFDZ-GOSISDBHSA-N 0 0 341.455 3.395 50 0 EGAARN COc1ccc(-c2noc(CNC(=O)c3c[nH]c4ccccc43)n2)cc1 ZINC000009419923 258054033 /nfs/dbraw/zinc/05/40/33/258054033.db2.gz UCBMUBYFDNCUPH-UHFFFAOYSA-N 0 0 348.362 3.157 50 0 EGAARN Brc1c[nH]nc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000031810225 258058634 /nfs/dbraw/zinc/05/86/34/258058634.db2.gz LBIMWFMWUDZQQS-UHFFFAOYSA-N 0 0 347.201 3.005 50 0 EGAARN Cc1nnc(NC(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC000063832672 258062436 /nfs/dbraw/zinc/06/24/36/258062436.db2.gz IURZNGZHMLNVBF-CYBMUJFWSA-N 0 0 334.420 3.472 50 0 EGAARN COC(=O)COc1ccc(NC(=O)N[C@H](C)C2=CCCCC2)cc1 ZINC000299757063 258075214 /nfs/dbraw/zinc/07/52/14/258075214.db2.gz LUXLGKVRQOZFON-CYBMUJFWSA-N 0 0 332.400 3.249 50 0 EGAARN O=C(CCC(=O)NC1CCCC1)NCc1ccc(-c2ccccc2)o1 ZINC000299758985 258077001 /nfs/dbraw/zinc/07/70/01/258077001.db2.gz GIDYPWQQDPNZEA-UHFFFAOYSA-N 0 0 340.423 3.402 50 0 EGAARN Cc1nnc(SCC(=O)N2CCC[C@H](c3cccc(C)c3)C2)o1 ZINC000299760787 258077881 /nfs/dbraw/zinc/07/78/81/258077881.db2.gz XGVNANIRWYYDJO-HNNXBMFYSA-N 0 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QWDTUVDZJZNRGJ-UHFFFAOYSA-N 0 0 343.223 3.127 50 0 EGAARN Clc1cccc(-n2ncc3c4nc(-c5ccncc5)nn4cnc32)c1 ZINC000000539030 274883507 /nfs/dbraw/zinc/88/35/07/274883507.db2.gz QCTLUQZCAQLGRP-UHFFFAOYSA-N 0 0 347.769 3.179 50 0 EGAARN CC1(C)Cc2c(sc3ncn(Nc4ccccc4)c(=N)c23)CO1 ZINC000004442436 276150402 /nfs/dbraw/zinc/15/04/02/276150402.db2.gz PPJQFADPMHPNPH-UHFFFAOYSA-N 0 0 326.425 3.304 50 0 EGAARN CCOc1ccc([C@@H]2CC(=O)Oc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000004387094 276376448 /nfs/dbraw/zinc/37/64/48/276376448.db2.gz QTKPWOBGKDNOGS-HNNXBMFYSA-N 0 0 335.359 3.368 50 0 EGAARN CNc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)ccn1 ZINC000065371952 277043153 /nfs/dbraw/zinc/04/31/53/277043153.db2.gz YYYHQPQVRRWUSU-HNNXBMFYSA-N 0 0 341.411 3.164 50 0 EGAARN CC(=O)Nc1cccc2c1sc1nc3n(c(=O)c21)CCCCC3 ZINC000000186596 277089573 /nfs/dbraw/zinc/08/95/73/277089573.db2.gz ULFAKDNEAPTMOR-UHFFFAOYSA-N 0 0 327.409 3.296 50 0 EGAARN COC(=O)c1c(NC(=O)CN(C)C)sc(C)c1-c1ccccc1 ZINC000013323017 277417791 /nfs/dbraw/zinc/41/77/91/277417791.db2.gz ADNQWBQAFJAVFN-UHFFFAOYSA-N 0 0 332.425 3.010 50 0 EGAARN COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(OC)c(OC)cc3[C@@H]1O2 ZINC000035324825 277445820 /nfs/dbraw/zinc/44/58/20/277445820.db2.gz CXBUZJNCDPSBIT-OVWNDWIMSA-N 0 0 341.363 3.320 50 0 EGAARN COc1cccc([C@H]2C[C@@H](c3cccc(C)c3)n3nc(N)nc3N2)c1 ZINC000000525654 277458473 /nfs/dbraw/zinc/45/84/73/277458473.db2.gz DKUSOZRIKJAINB-SJORKVTESA-N 0 0 335.411 3.324 50 0 EGAARN COc1cc2c(cc1OC)[C@H](C(Cl)(Cl)Cl)OC(=O)C2 ZINC000000201580 277855092 /nfs/dbraw/zinc/85/50/92/277855092.db2.gz CNWFLZBUBYSPCA-LLVKDONJSA-N 0 0 325.575 3.214 50 0 biogenic EGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccccc2)nn1 ZINC000032088532 277866828 /nfs/dbraw/zinc/86/68/28/277866828.db2.gz FPEJKWZLGIWFSV-CYBMUJFWSA-N 0 0 335.367 3.103 50 0 EGAARN CC(C)CCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2)C1=O ZINC000018203176 278764575 /nfs/dbraw/zinc/76/45/75/278764575.db2.gz AKBVHFOHASWOMC-HXUWFJFHSA-N 0 0 335.407 3.088 50 0 biogenic EGAARN Cc1cc2oc(=O)c3c(c2c2c1[C@H](c1cccnc1)CC(=O)O2)CCC3 ZINC000253409113 278765237 /nfs/dbraw/zinc/76/52/37/278765237.db2.gz LKUGETQVXIMNKK-HNNXBMFYSA-N 0 0 347.370 3.426 50 0 biogenic EGAARN Cn1nc(C(F)(F)F)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004164115 279397971 /nfs/dbraw/zinc/39/79/71/279397971.db2.gz CCBURKUTDFWSMZ-UHFFFAOYSA-N 0 0 327.350 3.138 50 0 EGAARN FC(F)(F)[C@@H]1C[C@@H](c2ccc3c(c2)OCCO3)Nc2ccnn21 ZINC000002766532 279440569 /nfs/dbraw/zinc/44/05/69/279440569.db2.gz IREFMZFGDRTTCB-GWCFXTLKSA-N 0 0 325.290 3.315 50 0 EGAARN C[C@H]1CCCc2sc3nc(NN)n(-c4ccccc4)c(=O)c3c21 ZINC000000198648 279694650 /nfs/dbraw/zinc/69/46/50/279694650.db2.gz LBBLITUNFYUBKM-JTQLQIEISA-N 0 0 326.425 3.173 50 0 EGAARN O=C(c1c(F)cccc1F)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000206769806 280157296 /nfs/dbraw/zinc/15/72/96/280157296.db2.gz RXKHQUIWIMPGSW-UHFFFAOYSA-N 0 0 343.329 3.267 50 0 EGAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1cccnc1)CO2 ZINC000009430227 280259932 /nfs/dbraw/zinc/25/99/32/280259932.db2.gz WOZBKWZHODOOQL-UHFFFAOYSA-N 0 0 334.375 3.342 50 0 EGAARN O=c1c2c3c(sc2nnn1Cc1ccc(Cl)cc1)CCCC3 ZINC000000148779 280390852 /nfs/dbraw/zinc/39/08/52/280390852.db2.gz JIHWWOBBTHPHHI-UHFFFAOYSA-N 0 0 331.828 3.434 50 0 EGAARN CC1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 ZINC000002771523 281804489 /nfs/dbraw/zinc/80/44/89/281804489.db2.gz NSYCQJZRPMXSPE-JTQLQIEISA-N 0 0 339.071 3.141 50 0 EGAARN CC1=NN(C(=O)Cc2c(Cl)cccc2Cl)[C@](O)(C(F)F)C1 ZINC000006395700 452940077 /nfs/dbraw/zinc/94/00/77/452940077.db2.gz UJSKGCBLVDONAG-CYBMUJFWSA-N 0 0 337.153 3.098 50 0 EGAARN Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccncc2)cs1 ZINC000079492750 293927293 /nfs/dbraw/zinc/92/72/93/293927293.db2.gz CSCHEIQTLDUEMH-UHFFFAOYSA-N 0 0 328.397 3.381 50 0 EGAARN c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000169746847 304856635 /nfs/dbraw/zinc/85/66/35/304856635.db2.gz JLAVCPKULITDHO-UHFFFAOYSA-N 0 0 336.510 3.064 50 0 EGAARN CC1(C)C[C@H](O)CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000297087142 308497582 /nfs/dbraw/zinc/49/75/82/308497582.db2.gz WJPWGFRASHVPTP-CYBMUJFWSA-N 0 0 329.362 3.257 50 0 EGAARN Cn1cc(CC(=O)N2CCCC[C@H]2c2ccnn2C)c2ccccc21 ZINC000517538762 312382719 /nfs/dbraw/zinc/38/27/19/312382719.db2.gz IGJKWMZIUFMZNZ-IBGZPJMESA-N 0 0 336.439 3.208 50 0 EGAARN Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1ccc2sccc2c1 ZINC000581495326 325366514 /nfs/dbraw/zinc/36/65/14/325366514.db2.gz FIIHCZNCQFGUTK-UHFFFAOYSA-N 0 0 341.436 3.263 50 0 EGAARN CCOc1ccc(C(=O)N2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000238871311 455259731 /nfs/dbraw/zinc/25/97/31/455259731.db2.gz MYZCIGGITXZSFI-QGZVFWFLSA-N 0 0 326.396 3.082 50 0 EGAARN Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(Cl)cc3)C2)nc1 ZINC000238888691 455259866 /nfs/dbraw/zinc/25/98/66/455259866.db2.gz QJUCUVCJZIONQL-INIZCTEOSA-N 0 0 345.830 3.406 50 0 EGAARN Cc1cc([C@@H]2CCCN2Cc2cc(C(N)=O)oc2C(C)(C)C)on1 ZINC000244724689 455275547 /nfs/dbraw/zinc/27/55/47/455275547.db2.gz MYRQONJOXZDNQA-ZDUSSCGKSA-N 0 0 331.416 3.310 50 0 EGAARN Cc1c(OCC(=O)N(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000082821 452502042 /nfs/dbraw/zinc/50/20/42/452502042.db2.gz DHFLAKZHMNAILN-UHFFFAOYSA-N 0 0 337.375 3.235 50 0 biogenic EGAARN COC(=O)c1cn(C(=O)c2ccc(OC)c(OC)c2)c2ccccc12 ZINC000000087044 452502219 /nfs/dbraw/zinc/50/22/19/452502219.db2.gz XTFPMSQRAYBBEC-UHFFFAOYSA-N 0 0 339.347 3.134 50 0 EGAARN C[C@@H]1CCCCN1C(=O)CSc1nnc2sc3ccccc3n12 ZINC000000089463 452503439 /nfs/dbraw/zinc/50/34/39/452503439.db2.gz HSVODXMLNHIBRP-LLVKDONJSA-N 0 0 346.481 3.437 50 0 EGAARN Cc1cc(C)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000000121230 452513765 /nfs/dbraw/zinc/51/37/65/452513765.db2.gz XTQKVEMWFNSSIU-CQSZACIVSA-N 0 0 336.391 3.235 50 0 EGAARN COC(=O)COc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000000127106 452514078 /nfs/dbraw/zinc/51/40/78/452514078.db2.gz MXCJBVTXMZZCPE-UHFFFAOYSA-N 0 0 326.304 3.137 50 0 biogenic EGAARN CNC(=O)c1c(C)nn(-c2ccc(F)c(Cl)c2)c1-c1cc(C)on1 ZINC000000124073 452514532 /nfs/dbraw/zinc/51/45/32/452514532.db2.gz HGIHGWMZWKGWBR-UHFFFAOYSA-N 0 0 348.765 3.296 50 0 EGAARN Cc1cc(C)c2c(n1)oc1c2NC(=O)CN(c2ccc(F)cc2)C1=O ZINC000000131390 452515559 /nfs/dbraw/zinc/51/55/59/452515559.db2.gz ZNWSGTFVHGLJAN-UHFFFAOYSA-N 0 0 339.326 3.183 50 0 EGAARN COC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1 ZINC000000140428 452517012 /nfs/dbraw/zinc/51/70/12/452517012.db2.gz NRSFVUDXZJUDNL-UHFFFAOYSA-N 0 0 334.169 3.488 50 0 EGAARN COc1ccc(S(=O)(=O)N(C)c2ccccc2)c2cccnc12 ZINC000000141128 452518981 /nfs/dbraw/zinc/51/89/81/452518981.db2.gz KYJFSNLKLGJZPJ-UHFFFAOYSA-N 0 0 328.393 3.069 50 0 EGAARN CCOC(=O)C1CCN(C(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000000153496 452522926 /nfs/dbraw/zinc/52/29/26/452522926.db2.gz YPQLHSXFEAWIPG-UHFFFAOYSA-N 0 0 342.395 3.065 50 0 EGAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000000155963 452525600 /nfs/dbraw/zinc/52/56/00/452525600.db2.gz GJDJWLCVQHEQGM-UHFFFAOYSA-N 0 0 342.779 3.238 50 0 EGAARN CC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000000176660 452526601 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ZINC000020190327 453663047 /nfs/dbraw/zinc/66/30/47/453663047.db2.gz FJUGAPVNLGFTMW-UHFFFAOYSA-N 0 0 325.796 3.184 50 0 EGAARN O=C(N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1)c1ccccn1 ZINC000022260394 453689462 /nfs/dbraw/zinc/68/94/62/453689462.db2.gz CPSDWTZYSRROQF-GOSISDBHSA-N 0 0 328.375 3.477 50 0 EGAARN COc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1O ZINC000023282258 453707917 /nfs/dbraw/zinc/70/79/17/453707917.db2.gz VNOBROJTGVLQPE-UHFFFAOYSA-N 0 0 326.440 3.340 50 0 EGAARN O=C(CCCn1cnc2ccccc2c1=O)NC1CCCCCC1 ZINC000026566581 453802942 /nfs/dbraw/zinc/80/29/42/453802942.db2.gz URRPSTFRJQGLIV-UHFFFAOYSA-N 0 0 327.428 3.016 50 0 EGAARN COc1cc(-c2nn3c(nnc3C(C)C)s2)cc2c1OCCCO2 ZINC000032105535 453864857 /nfs/dbraw/zinc/86/48/57/453864857.db2.gz HFDFAGMMLYJYEJ-UHFFFAOYSA-N 0 0 346.412 3.146 50 0 EGAARN O=C(CCSc1ccccc1)NC[C@@]1(O)CCc2ccccc21 ZINC000075155680 453867214 /nfs/dbraw/zinc/86/72/14/453867214.db2.gz MVKOMELCRYWNBY-IBGZPJMESA-N 0 0 327.449 3.119 50 0 EGAARN COc1cccc2cc(C(=O)Nc3nc4c(s3)COCC4)oc21 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COCc1ccc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)s1 ZINC000082097324 453923337 /nfs/dbraw/zinc/92/33/37/453923337.db2.gz IGYPLQWRVBWPDE-HNNXBMFYSA-N 0 0 347.484 3.484 50 0 EGAARN O=C(CCOc1ccccc1)N1CCCC[C@H]1CCn1cccn1 ZINC000082099130 453924049 /nfs/dbraw/zinc/92/40/49/453924049.db2.gz JIUORQPSVAMCSN-KRWDZBQOSA-N 0 0 327.428 3.123 50 0 EGAARN CCOc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1 ZINC000082098137 453924268 /nfs/dbraw/zinc/92/42/68/453924268.db2.gz GVNUZAWGSGLUAG-QGZVFWFLSA-N 0 0 327.428 3.367 50 0 EGAARN Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(F)c(C)c3)CC2=O)cc1 ZINC000082115986 453924394 /nfs/dbraw/zinc/92/43/94/453924394.db2.gz NUWWMUKEUWIJKH-OAHLLOKOSA-N 0 0 340.398 3.320 50 0 EGAARN CC[C@@H]1c2cccn2CCN1C(=O)c1nc2ccc(C)cn2c1F ZINC000082108810 453924412 /nfs/dbraw/zinc/92/44/12/453924412.db2.gz YXDHAYBLPMLQRU-CYBMUJFWSA-N 0 0 326.375 3.190 50 0 EGAARN COc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000082139146 453926482 /nfs/dbraw/zinc/92/64/82/453926482.db2.gz WOOOZOYRTMBFEP-CYBMUJFWSA-N 0 0 333.819 3.102 50 0 EGAARN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000041097017 453956559 /nfs/dbraw/zinc/95/65/59/453956559.db2.gz OAQKDDSVBSUVMU-NXEZZACHSA-N 0 0 338.256 3.100 50 0 EGAARN CN(C)c1nc(N2CCN(c3ccccc3)CC2)nc2ccccc21 ZINC000041147144 453957853 /nfs/dbraw/zinc/95/78/53/453957853.db2.gz ZNAJHJQARQIGKO-UHFFFAOYSA-N 0 0 333.439 3.022 50 0 EGAARN Clc1cccnc1N1CCN(c2ncnc3ccccc32)CC1 ZINC000067710787 453959286 /nfs/dbraw/zinc/95/92/86/453959286.db2.gz PYVSKTCOYBJPGW-UHFFFAOYSA-N 0 0 325.803 3.005 50 0 EGAARN COc1cccc([C@H]2c3[nH]cnc3CCN2Cc2ccoc2)c1OC ZINC000067723985 453960142 /nfs/dbraw/zinc/96/01/42/453960142.db2.gz ZUEZKWUANRFNAV-SFHVURJKSA-N 0 0 339.395 3.168 50 0 EGAARN O[C@@H]1CN(c2ncnc3[nH]ccc32)CC[C@H]1c1ccc2ccccc2c1 ZINC000067771325 453965127 /nfs/dbraw/zinc/96/51/27/453965127.db2.gz UYTUGTQVNMLXFA-PKOBYXMFSA-N 0 0 344.418 3.466 50 0 EGAARN O=C(COCC(F)(F)F)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084208992 453977387 /nfs/dbraw/zinc/97/73/87/453977387.db2.gz IVTIDYJARYOPDG-UHFFFAOYSA-N 0 0 342.144 3.457 50 0 EGAARN COCCN(Cc1ccoc1)C(=O)c1ccccc1Br ZINC000085474348 454030788 /nfs/dbraw/zinc/03/07/88/454030788.db2.gz DMCUAIXIKLNHLV-UHFFFAOYSA-N 0 0 338.201 3.331 50 0 EGAARN O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc2c(c1)OCO2 ZINC000086071845 454041387 /nfs/dbraw/zinc/04/13/87/454041387.db2.gz KPUWMJZQABDUJC-UHFFFAOYSA-N 0 0 347.374 3.477 50 0 EGAARN CCc1c(C)nc(SCc2nc(-c3ccc(F)cc3)no2)[nH]c1=O ZINC000044169455 454090366 /nfs/dbraw/zinc/09/03/66/454090366.db2.gz YDSYYEQUCOOPED-UHFFFAOYSA-N 0 0 346.387 3.122 50 0 EGAARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cccc(-n2cccn2)c1 ZINC000077323572 454091400 /nfs/dbraw/zinc/09/14/00/454091400.db2.gz JRMYQUOBRMXGNJ-HNNXBMFYSA-N 0 0 338.436 3.445 50 0 EGAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3sc(C)nc3C)cc2)n1 ZINC000077320753 454091435 /nfs/dbraw/zinc/09/14/35/454091435.db2.gz QOAOYSRTIMBVBR-UHFFFAOYSA-N 0 0 340.452 3.492 50 0 EGAARN Cc1nccn1CC[C@H]1CCCCN1C(=O)CCc1ccc(O)cc1 ZINC000077407207 454102649 /nfs/dbraw/zinc/10/26/49/454102649.db2.gz GAYYHIYBJTYYKX-GOSISDBHSA-N 0 0 341.455 3.301 50 0 EGAARN Cc1cc(=O)c(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)c[nH]1 ZINC000077436653 454105830 /nfs/dbraw/zinc/10/58/30/454105830.db2.gz CXJUSFUYEIUJTR-MRXNPFEDSA-N 0 0 340.423 3.016 50 0 EGAARN CCn1ccnc1CN1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077469720 454109104 /nfs/dbraw/zinc/10/91/04/454109104.db2.gz OAWMZTSLYAFLOE-FQEVSTJZSA-N 0 0 346.519 3.154 50 0 EGAARN Cc1ccccc1N1CCN(C(=O)c2ncc(F)cc2F)[C@H](C)C1 ZINC000077470236 454109178 /nfs/dbraw/zinc/10/91/78/454109178.db2.gz IQUNAMYSSXHQSO-CYBMUJFWSA-N 0 0 331.366 3.019 50 0 EGAARN CCc1nnc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)o1 ZINC000077471757 454110036 /nfs/dbraw/zinc/11/00/36/454110036.db2.gz YMQQYKPLVAEWMF-ZDUSSCGKSA-N 0 0 325.372 3.019 50 0 EGAARN Cc1ccc2nc(C)cc(C(=O)N[C@@H](CO)C3CCSCC3)c2c1 ZINC000077489241 454112082 /nfs/dbraw/zinc/11/20/82/454112082.db2.gz RNZLGYZLFIULLZ-SFHVURJKSA-N 0 0 344.480 3.086 50 0 EGAARN CCc1nc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000077535874 454118942 /nfs/dbraw/zinc/11/89/42/454118942.db2.gz TUMPNWFFWOUIAV-GOSISDBHSA-N 0 0 339.439 3.480 50 0 EGAARN COc1cccc([C@H]2CCCN2C(=O)CCc2csc(N)n2)c1 ZINC000077535218 454119100 /nfs/dbraw/zinc/11/91/00/454119100.db2.gz JRQLOBGSQCKTML-OAHLLOKOSA-N 0 0 331.441 3.030 50 0 EGAARN O=C(Cc1ccc(O)c(F)c1)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000077538771 454119670 /nfs/dbraw/zinc/11/96/70/454119670.db2.gz KQIJBBJCZWDPKP-INIZCTEOSA-N 0 0 341.382 3.195 50 0 EGAARN CCC[C@H](C)N1CC2(CCN(C(=O)c3cncc(C)c3)CC2)OC1=O ZINC000077565524 454124343 /nfs/dbraw/zinc/12/43/43/454124343.db2.gz VHIAHFBXINCHCN-HNNXBMFYSA-N 0 0 345.443 3.006 50 0 EGAARN CCCCc1ccc(NC(=O)C2CCC(Cn3cnnn3)CC2)cc1 ZINC000044890014 454124541 /nfs/dbraw/zinc/12/45/41/454124541.db2.gz PKCOWLSUEWSXSR-UHFFFAOYSA-N 0 0 341.459 3.461 50 0 EGAARN CC(C)(C)C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000044901092 454125990 /nfs/dbraw/zinc/12/59/90/454125990.db2.gz KYUCSORECSFYOM-UHFFFAOYSA-N 0 0 349.228 3.288 50 0 EGAARN COc1ccc(OC)c(CNC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000057413828 454126344 /nfs/dbraw/zinc/12/63/44/454126344.db2.gz XYSJMUOCNSHHFJ-UHFFFAOYSA-N 0 0 343.408 3.085 50 0 EGAARN CC(C)c1ccc(-c2noc(CCC(=O)N3CCOC[C@H]3C)n2)cc1 ZINC000044912353 454126439 /nfs/dbraw/zinc/12/64/39/454126439.db2.gz UIAODSGSOXIAKX-CQSZACIVSA-N 0 0 343.427 3.040 50 0 EGAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(C)nc2-c2ccccc2)c1 ZINC000057526471 454134351 /nfs/dbraw/zinc/13/43/51/454134351.db2.gz KWRGTGAFWHSIIY-UHFFFAOYSA-N 0 0 347.418 3.474 50 0 EGAARN COc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1F ZINC000045384650 454156424 /nfs/dbraw/zinc/15/64/24/454156424.db2.gz AAUNRPCRUBNOCC-NSHDSACASA-N 0 0 333.359 3.343 50 0 EGAARN CC(C)Sc1ccc(CC(=O)N2CC3(C2)COC(C)(C)OC3)cc1 ZINC000070640753 454170317 /nfs/dbraw/zinc/17/03/17/454170317.db2.gz GLPKDMAGWNNRSZ-UHFFFAOYSA-N 0 0 349.496 3.341 50 0 EGAARN Cc1nc(NCCc2ccccc2)sc1C(=O)NC[C@@H]1CCCO1 ZINC000071326521 454205235 /nfs/dbraw/zinc/20/52/35/454205235.db2.gz 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ZINC000055254039 214295991 /nfs/dbraw/zinc/29/59/91/214295991.db2.gz ZKFFXGYXFAIFLM-UHFFFAOYSA-N 0 0 330.428 3.421 50 0 EGAARN CC[C@@H](CO)N(Cc1ccccc1C)C(=O)c1ncc(F)cc1F ZINC000055242396 214294166 /nfs/dbraw/zinc/29/41/66/214294166.db2.gz XNNFDOOHMXGDJC-HNNXBMFYSA-N 0 0 334.366 3.082 50 0 EGAARN Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cnc3c(C)cccn23)c1 ZINC000055328057 214307756 /nfs/dbraw/zinc/30/77/56/214307756.db2.gz BLOOBAGLOZTIBM-INIZCTEOSA-N 0 0 337.423 3.343 50 0 EGAARN CC[C@@H](CO)N(Cc1ccccn1)C(=O)CCc1ccc(C)c(C)c1 ZINC000055271259 214299209 /nfs/dbraw/zinc/29/92/09/214299209.db2.gz BFZROLXHXWRJGF-FQEVSTJZSA-N 0 0 340.467 3.431 50 0 EGAARN O=C(CCC(=O)N1CC[C@H](c2ccccc2Cl)C1)NC1CCCC1 ZINC000055310197 214305467 /nfs/dbraw/zinc/30/54/67/214305467.db2.gz HPFUIBAOXSYOPU-AWEZNQCLSA-N 0 0 348.874 3.495 50 0 EGAARN COC[C@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1ccsc1 ZINC000055393093 214317150 /nfs/dbraw/zinc/31/71/50/214317150.db2.gz HDVGJQRAKGOINV-ZDUSSCGKSA-N 0 0 349.452 3.443 50 0 EGAARN CC[C@@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1cc(C2CC2)n[nH]1 ZINC000055384123 214315357 /nfs/dbraw/zinc/31/53/57/214315357.db2.gz JBBHNMPKYZIXAJ-QGZVFWFLSA-N 0 0 342.443 3.145 50 0 EGAARN COc1cc(NC(=O)[C@@]2(C)CC(C)=NO2)ccc1NC(=O)C(C)(C)C ZINC000055357770 214310485 /nfs/dbraw/zinc/31/04/85/214310485.db2.gz BECZDZKMKISSKN-GOSISDBHSA-N 0 0 347.415 3.173 50 0 EGAARN O=C(NC1CCCCCC1)N1CCC(Cn2cc(C3CC3)nn2)CC1 ZINC000055402257 214319554 /nfs/dbraw/zinc/31/95/54/214319554.db2.gz JYCXGTHSYYUEJJ-UHFFFAOYSA-N 0 0 345.491 3.300 50 0 EGAARN COc1cccc(CN2COc3ccc4c(C)cc(=O)oc4c3C2)c1 ZINC000055393841 214317856 /nfs/dbraw/zinc/31/78/56/214317856.db2.gz MTDYCGXOBQDNCH-UHFFFAOYSA-N 0 0 337.375 3.462 50 0 biogenic EGAARN Nc1nc(CCC(=O)NCCc2cccc(C(F)(F)F)c2)cs1 ZINC000097785463 219057860 /nfs/dbraw/zinc/05/78/60/219057860.db2.gz QWRKJZWRMQSSHE-UHFFFAOYSA-N 0 0 343.374 3.036 50 0 EGAARN O=C(COc1ccc(Cl)cc1Cl)NC[C@H](O)c1ccsc1 ZINC000056906311 214393770 /nfs/dbraw/zinc/39/37/70/214393770.db2.gz XTPLSTWLEZMGEL-LBPRGKRZSA-N 0 0 346.235 3.284 50 0 EGAARN CCCCOCCCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004662651 210240104 /nfs/dbraw/zinc/24/01/04/210240104.db2.gz VTGWAQKXMFWEQG-YESZJQIVSA-N 0 0 340.508 3.031 50 0 EGAARN CCOC(=O)C[C@@H](NC(=O)c1ccccc1C)c1ccc(OC)cc1 ZINC000004653235 210238349 /nfs/dbraw/zinc/23/83/49/210238349.db2.gz GMRCQRLVBPLOCH-GOSISDBHSA-N 0 0 341.407 3.428 50 0 EGAARN O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc2c(c1)OCO2 ZINC000004590027 210227562 /nfs/dbraw/zinc/22/75/62/210227562.db2.gz BOPNPJHFERORPK-QPEQYQDCSA-N 0 0 327.723 3.413 50 0 EGAARN Cc1cc(-c2nn3c(nnc3-c3cc(F)ccc3Cl)s2)n[nH]1 ZINC000049550336 214017653 /nfs/dbraw/zinc/01/76/53/214017653.db2.gz YUMORXZMUCFYFF-UHFFFAOYSA-N 0 0 334.767 3.344 50 0 EGAARN Cc1nn(-c2ccccc2)c2c1[C@@H](C(=O)Nc1ccccc1)CC(=O)O2 ZINC000008559632 282242161 /nfs/dbraw/zinc/24/21/61/282242161.db2.gz FKMZZNOIWQDXSP-INIZCTEOSA-N 0 0 347.374 3.212 50 0 EGAARN COc1c(C)cc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)cc1C ZINC000004520565 210212405 /nfs/dbraw/zinc/21/24/05/210212405.db2.gz PCVZBSYWYKNYEH-ZBFHGGJFSA-N 0 0 347.459 3.271 50 0 EGAARN CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000004511885 210209644 /nfs/dbraw/zinc/20/96/44/210209644.db2.gz FONYWNUIBYCVSC-UHFFFAOYSA-N 0 0 337.173 3.044 50 0 EGAARN CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C ZINC000004491330 210202637 /nfs/dbraw/zinc/20/26/37/210202637.db2.gz UMQXBCGXLDHJLF-KRWDZBQOSA-N 0 0 346.427 3.303 50 0 EGAARN COc1ccc(-c2nc(-c3cn(Cc4ccc(C)cc4)nn3)no2)cc1 ZINC000049410157 214006213 /nfs/dbraw/zinc/00/62/13/214006213.db2.gz HFZFZUOYBFPJAS-UHFFFAOYSA-N 0 0 347.378 3.360 50 0 EGAARN COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(C(C)=O)cc3)C2)c1 ZINC000004436926 210193959 /nfs/dbraw/zinc/19/39/59/210193959.db2.gz CRFORAJNMDQJTB-SFHVURJKSA-N 0 0 338.363 3.030 50 0 EGAARN Cc1cc(=O)oc2cc(N3C(=O)C[C@H](Cc4ccccc4)C3=O)ccc12 ZINC000100748783 219106210 /nfs/dbraw/zinc/10/62/10/219106210.db2.gz SXHLETXTEPUSIA-HNNXBMFYSA-N 0 0 347.370 3.224 50 0 biogenic EGAARN COc1ccc([C@@H]2CC(c3cccs3)=Nc3ncnn32)cc1OC ZINC000100835121 219108827 /nfs/dbraw/zinc/10/88/27/219108827.db2.gz CXTHLSSTPPQRAW-ZDUSSCGKSA-N 0 0 340.408 3.413 50 0 EGAARN O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(F)cc1 ZINC000004391974 210186527 /nfs/dbraw/zinc/18/65/27/210186527.db2.gz GWGUQAKBOOSQOS-UHFFFAOYSA-N 0 0 340.383 3.409 50 0 EGAARN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 ZINC000004385257 210185168 /nfs/dbraw/zinc/18/51/68/210185168.db2.gz QCUZHLNBLFUFJX-HNNXBMFYSA-N 0 0 338.407 3.304 50 0 EGAARN COc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)c(OC)c1 ZINC000004330010 210173250 /nfs/dbraw/zinc/17/32/50/210173250.db2.gz LCGONPZSLOSXNK-UHFFFAOYSA-N 0 0 343.314 3.145 50 0 EGAARN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 ZINC000004335005 210172807 /nfs/dbraw/zinc/17/28/07/210172807.db2.gz QXVACSGCBBJXKT-VIFPVBQESA-N 0 0 341.194 3.021 50 0 EGAARN Cc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)cc1C ZINC000004316511 210169163 /nfs/dbraw/zinc/16/91/63/210169163.db2.gz FNQVWFQERLPXOL-UHFFFAOYSA-N 0 0 332.367 3.183 50 0 EGAARN Nc1nn(Cc2ccc(Br)cc2)cc1Br ZINC000004298920 210163977 /nfs/dbraw/zinc/16/39/77/210163977.db2.gz RELXPRZZRBQDLP-UHFFFAOYSA-N 0 0 331.011 3.039 50 0 EGAARN COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1C[C@H]3CC[C@@H]1C3)CC2 ZINC000004282463 210161171 /nfs/dbraw/zinc/16/11/71/210161171.db2.gz MESVHWNKLKGEMS-LZWOXQAQSA-N 0 0 329.440 3.415 50 0 biogenic EGAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1 ZINC000004279699 210160235 /nfs/dbraw/zinc/16/02/35/210160235.db2.gz YUCCGZRQLAXGRG-UHFFFAOYSA-N 0 0 340.408 3.479 50 0 EGAARN COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@@H]1C(=O)Nc2ccccc21 ZINC000101651485 219151704 /nfs/dbraw/zinc/15/17/04/219151704.db2.gz FPCXWEHGQQYMNY-OAHLLOKOSA-N 0 0 336.347 3.454 50 0 EGAARN CCCC(=O)N(c1ccc(C)c(Cl)c1)[C@H]1C=CS(=O)(=O)C1 ZINC000004165268 210136526 /nfs/dbraw/zinc/13/65/26/210136526.db2.gz YLWRLGXYYSHZJH-ZDUSSCGKSA-N 0 0 327.833 3.092 50 0 EGAARN COC(=O)c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000004163676 210135639 /nfs/dbraw/zinc/13/56/39/210135639.db2.gz IIYNIZWQAGCABT-UHFFFAOYSA-N 0 0 336.347 3.084 50 0 EGAARN Cc1ccsc1[C@@H]1CCN(C(=O)CCOc2ccccc2)C[C@H]1O ZINC000065495121 214932766 /nfs/dbraw/zinc/93/27/66/214932766.db2.gz YKBWRYKZXHUKBW-IAGOWNOFSA-N 0 0 345.464 3.202 50 0 EGAARN COc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)c(OC)c1 ZINC000004163696 210134961 /nfs/dbraw/zinc/13/49/61/210134961.db2.gz UMSBASSGQBGNGX-UHFFFAOYSA-N 0 0 338.363 3.315 50 0 EGAARN Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccccc2)c1 ZINC000004157233 210134192 /nfs/dbraw/zinc/13/41/92/210134192.db2.gz CEYXOWKJKZYIEF-UHFFFAOYSA-N 0 0 325.364 3.140 50 0 EGAARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c2ccccc12 ZINC000101713167 219157711 /nfs/dbraw/zinc/15/77/11/219157711.db2.gz GBNJXVBWNBNPKF-CQSZACIVSA-N 0 0 337.375 3.041 50 0 EGAARN CN(CCC1CCCCC1)C(=O)CCc1nc(-c2cccnc2)no1 ZINC000065590090 214969383 /nfs/dbraw/zinc/96/93/83/214969383.db2.gz DAAPLDHJHPCMCY-UHFFFAOYSA-N 0 0 342.443 3.493 50 0 EGAARN CCCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCC ZINC000004113518 210123432 /nfs/dbraw/zinc/12/34/32/210123432.db2.gz FVFQIBGBVWBRFB-KRWDZBQOSA-N 0 0 346.427 3.447 50 0 EGAARN Cc1ccc(-c2nc(CSc3nc(C)c(C)c(=O)[nH]3)no2)cc1 ZINC000004113186 210123020 /nfs/dbraw/zinc/12/30/20/210123020.db2.gz HKCYTVYGUBJIQJ-UHFFFAOYSA-N 0 0 328.397 3.037 50 0 EGAARN COc1ccc(Cn2nc(C)n(-c3ccccc3Cl)c2=O)cc1 ZINC000004089118 210118110 /nfs/dbraw/zinc/11/81/10/210118110.db2.gz VFXWPMXOAXUHRC-UHFFFAOYSA-N 0 0 329.787 3.053 50 0 EGAARN COCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 ZINC000004101096 210119086 /nfs/dbraw/zinc/11/90/86/210119086.db2.gz AQLXIJYAVMSMFH-AWEZNQCLSA-N 0 0 327.380 3.039 50 0 EGAARN NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2ncsc2c1 ZINC000004088558 210117306 /nfs/dbraw/zinc/11/73/06/210117306.db2.gz FTNLXVDWTGQZFR-UHFFFAOYSA-N 0 0 337.360 3.394 50 0 EGAARN CCCCCC(=O)Nc1ccc(C[C@@H]2SC(=O)N(C)C2=O)cc1 ZINC000004051092 210109152 /nfs/dbraw/zinc/10/91/52/210109152.db2.gz PQDDMSLLDCKIEA-AWEZNQCLSA-N 0 0 334.441 3.442 50 0 EGAARN COc1cccc([C@@H]2CC(c3ccc(C)cc3)=Nc3nnnn32)c1OC ZINC000102046429 219182569 /nfs/dbraw/zinc/18/25/69/219182569.db2.gz FZKLESFVAAJTDM-INIZCTEOSA-N 0 0 349.394 3.055 50 0 EGAARN COC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000003900415 210088275 /nfs/dbraw/zinc/08/82/75/210088275.db2.gz GDMIOXGRWJBNCE-SJFHUFEGSA-N 0 0 327.424 3.174 50 0 biogenic EGAARN C[C@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003885750 210083412 /nfs/dbraw/zinc/08/34/12/210083412.db2.gz AGGMPNXXPWUUTI-MLGOLLRUSA-N 0 0 339.844 3.083 50 0 EGAARN Cc1sc2ncnc(N3CCC(c4ccnc(N)n4)CC3)c2c1C ZINC000095390492 282489514 /nfs/dbraw/zinc/48/95/14/282489514.db2.gz UAKIGCUAVUHWSE-UHFFFAOYSA-N 0 0 340.456 3.064 50 0 EGAARN O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003617106 210067058 /nfs/dbraw/zinc/06/70/58/210067058.db2.gz UKOOSMZKTWCPPV-UHFFFAOYSA-N 0 0 346.235 3.351 50 0 EGAARN CCC1=NO[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000102541475 219209198 /nfs/dbraw/zinc/20/91/98/219209198.db2.gz FNZJXVQYEDOUPE-GFCCVEGCSA-N 0 0 331.294 3.262 50 0 EGAARN Cc1cc(Br)ccc1OCCOCCn1ccnc1 ZINC000003461658 210046366 /nfs/dbraw/zinc/04/63/66/210046366.db2.gz CTSCXPIDNJFGGB-UHFFFAOYSA-N 0 0 325.206 3.050 50 0 EGAARN O=C(COC(=O)c1cccc(F)c1)Nc1ccc(F)cc1Cl ZINC000003405247 210029476 /nfs/dbraw/zinc/02/94/76/210029476.db2.gz QIWYDLCDSOUIOZ-UHFFFAOYSA-N 0 0 325.698 3.414 50 0 EGAARN Cc1csc(C2=C(N)N(c3ccc4oc(=O)ccc4c3)CC2=O)n1 ZINC000102728658 219225869 /nfs/dbraw/zinc/22/58/69/219225869.db2.gz HQAWBCLUALONDD-UHFFFAOYSA-N 0 0 339.376 3.324 50 0 EGAARN COCCn1c(SCCc2ccccc2)nc2ccsc2c1=O ZINC000067259768 215128969 /nfs/dbraw/zinc/12/89/69/215128969.db2.gz NZXOMHHNWLCRNA-UHFFFAOYSA-N 0 0 346.477 3.439 50 0 EGAARN CCc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2F)cc1 ZINC000067198216 215122993 /nfs/dbraw/zinc/12/29/93/215122993.db2.gz GHXRAJASPQNCMQ-UHFFFAOYSA-N 0 0 333.334 3.000 50 0 EGAARN COc1ccc(CNC(=O)c2snc(-c3ccccc3)c2N)cc1 ZINC000067334744 215133369 /nfs/dbraw/zinc/13/33/69/215133369.db2.gz 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CCOCC(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000009134475 276452043 /nfs/dbraw/zinc/45/20/43/276452043.db2.gz GMMXGZIKVIIHGM-UHFFFAOYSA-N 0 0 326.352 3.044 50 0 EGAARN CCn1c(N)nc2cc(C(=O)N3CCC[C@H]3c3ccccc3)cnc21 ZINC000077302475 276710127 /nfs/dbraw/zinc/71/01/27/276710127.db2.gz FHMMPSQRCSZVKG-INIZCTEOSA-N 0 0 335.411 3.011 50 0 EGAARN CN1C(=O)C[C@@H](c2ncnn2C2Cc3ccccc3C2)c2ccccc21 ZINC000091664673 277013183 /nfs/dbraw/zinc/01/31/83/277013183.db2.gz IUWKUJCHZVSBCY-GOSISDBHSA-N 0 0 344.418 3.116 50 0 EGAARN CC(C)(C)N1C[C@@H](C(=O)NC2(Cc3ccc(Cl)cc3)CC2)CC1=O ZINC000091626172 277156467 /nfs/dbraw/zinc/15/64/67/277156467.db2.gz AASMLEXAMQAXKO-AWEZNQCLSA-N 0 0 348.874 3.178 50 0 EGAARN CC(C)(C)OC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000071887897 277188787 /nfs/dbraw/zinc/18/87/87/277188787.db2.gz HTXKYSHCGPDIDA-UHFFFAOYSA-N 0 0 331.338 3.158 50 0 EGAARN CC(C)(C)OC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F ZINC000000319747 277196702 /nfs/dbraw/zinc/19/67/02/277196702.db2.gz 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ZINC000000182694 452529636 /nfs/dbraw/zinc/52/96/36/452529636.db2.gz PXUGCDRFNQPWNU-UHFFFAOYSA-N 0 0 330.343 3.075 50 0 EGAARN CCOC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000000189207 452531525 /nfs/dbraw/zinc/53/15/25/452531525.db2.gz OSRUKEZUZOGGHC-UHFFFAOYSA-N 0 0 337.331 3.222 50 0 EGAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2ncnc2N1 ZINC000000190076 452531667 /nfs/dbraw/zinc/53/16/67/452531667.db2.gz JXFUUVIBCCKLQC-QGZVFWFLSA-N 0 0 331.379 3.206 50 0 EGAARN Cn1c2ccccc2nc1[C@](O)(c1ccccc1)[C@@H](O)c1ccco1 ZINC000000195471 452533447 /nfs/dbraw/zinc/53/34/47/452533447.db2.gz PIVSKPYWXGPUCV-ICSRJNTNSA-N 0 0 334.375 3.136 50 0 EGAARN CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000000204277 452535305 /nfs/dbraw/zinc/53/53/05/452535305.db2.gz HNXOOFNMQBRBRM-HFSMHLIXSA-N 0 0 338.403 3.200 50 0 EGAARN CCN1CCN(C(=O)c2ccc(COc3ccc(Cl)cc3)o2)CC1 ZINC000000204840 452535398 /nfs/dbraw/zinc/53/53/98/452535398.db2.gz HSYNSYPASKNBOH-UHFFFAOYSA-N 0 0 348.830 3.290 50 0 EGAARN CCOc1ccc(N2C(=S)N=NC2c2c(Cl)c(C)nn2C)cc1 ZINC000000213996 452536373 /nfs/dbraw/zinc/53/63/73/452536373.db2.gz HRBBKJGHYYBQTB-UHFFFAOYSA-N 0 0 349.847 3.317 50 0 EGAARN COc1ccc(C2(C(=O)NCc3ccccc3)CCOCC2)cc1 ZINC000000215868 452539913 /nfs/dbraw/zinc/53/99/13/452539913.db2.gz VNKVWZDLNCJORN-UHFFFAOYSA-N 0 0 325.408 3.060 50 0 EGAARN COc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C)cc3C2=O)cc1 ZINC000000237385 452542739 /nfs/dbraw/zinc/54/27/39/452542739.db2.gz HJEYQDRHIAUPLL-UHFFFAOYSA-N 0 0 339.347 3.061 50 0 EGAARN CC(C)NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000268078 452549734 /nfs/dbraw/zinc/54/97/34/452549734.db2.gz VWNPHGBOMFDVTL-UHFFFAOYSA-N 0 0 345.346 3.372 50 0 EGAARN O=C(NC[C@@H]1COc2ccccc2O1)C1(c2ccccc2)CCCC1 ZINC000000290133 452553625 /nfs/dbraw/zinc/55/36/25/452553625.db2.gz SYWKHTFVFXAXFB-QGZVFWFLSA-N 0 0 337.419 3.455 50 0 EGAARN COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1 ZINC000000299403 452557114 /nfs/dbraw/zinc/55/71/14/452557114.db2.gz CMESIZNRKABNHN-QGZVFWFLSA-N 0 0 349.477 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CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)c2ccccc2C1=O ZINC000004008939 210098930 /nfs/dbraw/zinc/09/89/30/210098930.db2.gz QGVFWMVGLGEFGI-JKIFEVAISA-N 0 0 343.423 3.287 50 0 biogenic EGAARN Cc1cccc(CC(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c1 ZINC000003911904 210092779 /nfs/dbraw/zinc/09/27/79/210092779.db2.gz FPTKJMLJBJFBND-UHFFFAOYSA-N 0 0 348.446 3.355 50 0 EGAARN Cc1nnnn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000003909635 210091119 /nfs/dbraw/zinc/09/11/19/210091119.db2.gz FORWWXBEIHZLBV-UHFFFAOYSA-N 0 0 340.696 3.100 50 0 EGAARN CC(=O)N(c1ccccc1)[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000003894755 210086337 /nfs/dbraw/zinc/08/63/37/210086337.db2.gz VKBULPRZNBBWFY-MRXNPFEDSA-N 0 0 326.377 3.266 50 0 EGAARN CCCc1cc(C(=O)Nn2c(=O)c3ccccc3[nH]c2=S)cs1 ZINC000102228899 219191093 /nfs/dbraw/zinc/19/10/93/219191093.db2.gz POEAZGKGZNAQGU-UHFFFAOYSA-N 0 0 345.449 3.083 50 0 EGAARN CCCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc32)cc1 ZINC000003644951 210070594 /nfs/dbraw/zinc/07/05/94/210070594.db2.gz SWOULYZGKHOEMC-UHFFFAOYSA-N 0 0 335.407 3.130 50 0 EGAARN COc1ccc(OCC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000003618647 210068003 /nfs/dbraw/zinc/06/80/03/210068003.db2.gz GTMFQFASQQCIQX-UHFFFAOYSA-N 0 0 326.396 3.313 50 0 EGAARN CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(N(C)C)c1 ZINC000003590901 210060181 /nfs/dbraw/zinc/06/01/81/210060181.db2.gz NUDTYZDRIDBHST-UHFFFAOYSA-N 0 0 340.423 3.419 50 0 EGAARN Fc1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 ZINC000000538500 282971304 /nfs/dbraw/zinc/97/13/04/282971304.db2.gz PMZIWPDSBVOBAD-UHFFFAOYSA-N 0 0 330.326 3.269 50 0 EGAARN Cc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1 ZINC000003470394 210047819 /nfs/dbraw/zinc/04/78/19/210047819.db2.gz BKUWZAXXZBRBLL-UHFFFAOYSA-N 0 0 338.157 3.146 50 0 EGAARN O=C(CC1=CSC2=NCCCN12)N1CC[C@@H](c2ccccc2F)C1 ZINC000102590731 219212528 /nfs/dbraw/zinc/21/25/28/219212528.db2.gz DGJKSSKTJCFJFJ-CYBMUJFWSA-N 0 0 345.443 3.182 50 0 EGAARN CC(C)OCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066708030 215070782 /nfs/dbraw/zinc/07/07/82/215070782.db2.gz KTIBPJDUJGTLSJ-CQSZACIVSA-N 0 0 332.227 3.318 50 0 EGAARN Cc1nc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)no1 ZINC000066851203 215087211 /nfs/dbraw/zinc/08/72/11/215087211.db2.gz WXOJJSKWVYZSEG-CYBMUJFWSA-N 0 0 328.199 3.258 50 0 EGAARN Cc1ccc(NC(=O)COC(=O)COc2ccccc2)c(Cl)c1 ZINC000003388816 210025598 /nfs/dbraw/zinc/02/55/98/210025598.db2.gz GHEVGZYWCGODDS-UHFFFAOYSA-N 0 0 333.771 3.209 50 0 EGAARN CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)c(CC)nn2c1N ZINC000102736737 219226071 /nfs/dbraw/zinc/22/60/71/219226071.db2.gz DTOXLBWPXBBZSA-UHFFFAOYSA-N 0 0 344.802 3.201 50 0 EGAARN COc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)cc(OC)c1 ZINC000003385969 210024274 /nfs/dbraw/zinc/02/42/74/210024274.db2.gz OIOOKMYDSUPYGM-UHFFFAOYSA-N 0 0 349.770 3.153 50 0 EGAARN CCc1ccc(CNC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 ZINC000067198027 215122723 /nfs/dbraw/zinc/12/27/23/215122723.db2.gz NJLQPVZDEATICV-UHFFFAOYSA-N 0 0 333.334 3.000 50 0 EGAARN Cc1cccc(CNC(=O)COC(=O)c2ccc(F)cc2Cl)c1 ZINC000067198184 215122748 /nfs/dbraw/zinc/12/27/48/215122748.db2.gz MCHKAKZXEJOASX-UHFFFAOYSA-N 0 0 335.762 3.261 50 0 EGAARN CCc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000067206080 215123927 /nfs/dbraw/zinc/12/39/27/215123927.db2.gz RMPNPZFAUVGPOM-UHFFFAOYSA-N 0 0 326.415 3.393 50 0 EGAARN COC(=O)C(=CNc1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000067340515 215134818 /nfs/dbraw/zinc/13/48/18/215134818.db2.gz CVHILUGNLFKJHU-SFQUDFHCSA-N 0 0 345.420 3.204 50 0 EGAARN O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1nc(C2CC2)no1 ZINC000067350588 215136007 /nfs/dbraw/zinc/13/60/07/215136007.db2.gz NNHMWCSRXDGVKV-HNNXBMFYSA-N 0 0 345.374 3.219 50 0 EGAARN Cc1ccc(C)c(NC[C@H](O)CNC(=S)Nc2ccccc2)c1 ZINC000003148553 209971457 /nfs/dbraw/zinc/97/14/57/209971457.db2.gz UOIDAADFLBQUNV-INIZCTEOSA-N 0 0 329.469 3.063 50 0 EGAARN Nc1ccsc1C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000067588950 215166408 /nfs/dbraw/zinc/16/64/08/215166408.db2.gz JGTBPZVRYBKTMT-UHFFFAOYSA-N 0 0 342.399 3.058 50 0 EGAARN CCc1ncc2c(n1)CN(C(=O)c1ccc(-n3cccc3)c(C)c1)C2 ZINC000067643577 215171781 /nfs/dbraw/zinc/17/17/81/215171781.db2.gz FIDDSCHKOSVIFE-UHFFFAOYSA-N 0 0 332.407 3.294 50 0 EGAARN CC(=O)Oc1c(C)cc(CN(C)Cc2[nH]nc3c2CCCC3)cc1C ZINC000067649188 215173916 /nfs/dbraw/zinc/17/39/16/215173916.db2.gz CJLUZOHJDMXXEF-UHFFFAOYSA-N 0 0 341.455 3.463 50 0 EGAARN CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000067674001 215179563 /nfs/dbraw/zinc/17/95/63/215179563.db2.gz RJSLBPKBJGURHI-ZWKOTPCHSA-N 0 0 333.391 3.499 50 0 EGAARN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)Cc1cn(C)c2ccccc12 ZINC000067714326 215192625 /nfs/dbraw/zinc/19/26/25/215192625.db2.gz PUTRTUQVASLMLP-CQSZACIVSA-N 0 0 338.455 3.291 50 0 EGAARN CCOCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067723629 215194685 /nfs/dbraw/zinc/19/46/85/215194685.db2.gz IMHOODKDQINPPW-UHFFFAOYSA-N 0 0 347.846 3.473 50 0 EGAARN Cc1noc(C)c1CCCNC(=O)c1ccc(-c2ccncc2)nc1 ZINC000067739428 215198816 /nfs/dbraw/zinc/19/88/16/215198816.db2.gz SOABPUGYLKTZLT-UHFFFAOYSA-N 0 0 336.395 3.111 50 0 EGAARN Cc1nnsc1CN(C)Cc1c[nH]nc1-c1cc(C)ccc1C ZINC000067740275 215199545 /nfs/dbraw/zinc/19/95/45/215199545.db2.gz NLAGYALQTNFCQO-UHFFFAOYSA-N 0 0 327.457 3.485 50 0 EGAARN C[C@@H](C(N)=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067743385 215201086 /nfs/dbraw/zinc/20/10/86/215201086.db2.gz MLPIBVXARBAQFJ-AWEZNQCLSA-N 0 0 347.418 3.241 50 0 EGAARN O=C(CCO)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067743259 215201130 /nfs/dbraw/zinc/20/11/30/215201130.db2.gz GEJACZSMGVXVRZ-UHFFFAOYSA-N 0 0 347.418 3.011 50 0 EGAARN COc1ccccc1-n1cc(C(=O)N[C@@H](C)c2ncccc2C)cn1 ZINC000067785607 215211957 /nfs/dbraw/zinc/21/19/57/215211957.db2.gz KCNFBYZXZWCARL-AWEZNQCLSA-N 0 0 336.395 3.075 50 0 EGAARN CCc1cnc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)nc1 ZINC000067773812 215209866 /nfs/dbraw/zinc/20/98/66/215209866.db2.gz VWOJRCHWQKBLFF-UHFFFAOYSA-N 0 0 348.406 3.206 50 0 EGAARN Cc1ccccc1-c1ncc(-c2nccn2CCc2c[nH]cn2)cn1 ZINC000067788533 215213576 /nfs/dbraw/zinc/21/35/76/215213576.db2.gz BZBKHHDGWVIHFS-UHFFFAOYSA-N 0 0 330.395 3.281 50 0 EGAARN COc1cc(C)c(-c2nc(CN3CCC(O)CC3)c(C)o2)cc1C ZINC000067803302 215214924 /nfs/dbraw/zinc/21/49/24/215214924.db2.gz QJYRKSLLXPKKFF-UHFFFAOYSA-N 0 0 330.428 3.232 50 0 EGAARN Cc1nc[nH]c1C(=O)N1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000067821670 215223642 /nfs/dbraw/zinc/22/36/42/215223642.db2.gz QNJSSYCXEBMOCP-UHFFFAOYSA-N 0 0 349.438 3.436 50 0 EGAARN CCCCc1nc([C@H]2CC(=O)Nc3c2cnn3CCC(C)C)c[nH]1 ZINC000067880602 215239053 /nfs/dbraw/zinc/23/90/53/215239053.db2.gz VYEWQEGADXBFER-ZDUSSCGKSA-N 0 0 329.448 3.469 50 0 EGAARN Cc1nc2ccc(Cl)cn2c1CN(Cc1nccn1C)C1CC1 ZINC000067885214 215241346 /nfs/dbraw/zinc/24/13/46/215241346.db2.gz FVKCPXHBOPFTKG-UHFFFAOYSA-N 0 0 329.835 3.194 50 0 EGAARN CCNC(=O)NC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067935374 215254301 /nfs/dbraw/zinc/25/43/01/215254301.db2.gz JEBCPLNWMAFWCX-NSHDSACASA-N 0 0 330.259 3.134 50 0 EGAARN Cc1ccccc1-c1cc(O)c2c(c1)CN(CCn1ccnc1)CCO2 ZINC000067935430 215254808 /nfs/dbraw/zinc/25/48/08/215254808.db2.gz ROKUYLLRSDIUAT-UHFFFAOYSA-N 0 0 349.434 3.459 50 0 EGAARN Cc1cnc(C)c(N2CCC[C@](CO)(CCOc3ccccc3)C2)n1 ZINC000067935279 215254987 /nfs/dbraw/zinc/25/49/87/215254987.db2.gz FCFVZXHEEQIESU-FQEVSTJZSA-N 0 0 341.455 3.141 50 0 EGAARN CC[C@@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cnn(C)c2)cc1 ZINC000002803998 209917623 /nfs/dbraw/zinc/91/76/23/209917623.db2.gz QDBDFBIGLBCADJ-CXAGYDPISA-N 0 0 335.473 3.363 50 0 EGAARN Cc1ncnc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1C ZINC000067975588 215265519 /nfs/dbraw/zinc/26/55/19/215265519.db2.gz OTMNKTPQLBJEEJ-UHFFFAOYSA-N 0 0 348.406 3.260 50 0 EGAARN CC[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1C)c1ncnn1CC ZINC000067983046 215266404 /nfs/dbraw/zinc/26/64/04/215266404.db2.gz OFTGRSRJHDENOO-CQSZACIVSA-N 0 0 325.416 3.277 50 0 EGAARN CCOC(=O)CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002746989 209900866 /nfs/dbraw/zinc/90/08/66/209900866.db2.gz NLFRAAXHZHPKGT-QGZVFWFLSA-N 0 0 329.421 3.199 50 0 EGAARN O=C(CCCCC(=O)NCc1cccs1)NCc1cccs1 ZINC000002750637 209902208 /nfs/dbraw/zinc/90/22/08/209902208.db2.gz WITARZMLTWSUII-UHFFFAOYSA-N 0 0 336.482 3.303 50 0 EGAARN O=C(CSc1nnnn1-c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000002495378 209857630 /nfs/dbraw/zinc/85/76/30/209857630.db2.gz PMZXRXQNXQAZGN-UHFFFAOYSA-N 0 0 348.790 3.430 50 0 EGAARN COc1ccc(OCc2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000002231850 209831995 /nfs/dbraw/zinc/83/19/95/209831995.db2.gz MQIICWGJCIJNKE-UHFFFAOYSA-N 0 0 338.392 3.440 50 0 EGAARN CCOCCCNc1ncc2c(n1)C[C@H](c1cccs1)CC2=O ZINC000002235402 209831858 /nfs/dbraw/zinc/83/18/58/209831858.db2.gz XTLKYJUJJSYVFH-LBPRGKRZSA-N 0 0 331.441 3.289 50 0 EGAARN CCCCn1ccc2c(nnc3c(-c4ccccc4)c(C)nn32)c1=O ZINC000040390867 213296786 /nfs/dbraw/zinc/29/67/86/213296786.db2.gz MHWRHUXOQQLEIJ-UHFFFAOYSA-N 0 0 333.395 3.215 50 0 EGAARN Cn1nccc1-c1nn2c(nnc2-c2cc(Cl)ccc2F)s1 ZINC000040288403 213289821 /nfs/dbraw/zinc/28/98/21/213289821.db2.gz NUQNJMIPVAQNQP-UHFFFAOYSA-N 0 0 334.767 3.046 50 0 EGAARN O=C(NC1CCCC1)c1ccccc1-n1cnc2ccccc2c1=O ZINC000040288475 213290317 /nfs/dbraw/zinc/29/03/17/213290317.db2.gz KXVLOUWGZDTRJP-UHFFFAOYSA-N 0 0 333.391 3.058 50 0 EGAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1 ZINC000040283432 213287965 /nfs/dbraw/zinc/28/79/65/213287965.db2.gz JDKVMOZKOLMXRH-OAHLLOKOSA-N 0 0 348.362 3.178 50 0 EGAARN O=C(Nc1ccccn1)c1ccccc1-n1cnc2ccccc2c1=O ZINC000040267338 213286113 /nfs/dbraw/zinc/28/61/13/213286113.db2.gz VAVGBRDZYFRMAU-UHFFFAOYSA-N 0 0 342.358 3.033 50 0 EGAARN O=C(COC1CCCCC1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000040141419 213272251 /nfs/dbraw/zinc/27/22/51/213272251.db2.gz LUBLTXMVIJDRAP-UHFFFAOYSA-N 0 0 348.424 3.355 50 0 EGAARN CCOC(=O)[C@H]1C(=O)NC(c2ccccc2)=N[C@H]1c1ccc(F)cc1 ZINC000001404439 209741232 /nfs/dbraw/zinc/74/12/32/209741232.db2.gz IAOZEBYUWKLMDE-CVEARBPZSA-N 0 0 340.354 3.463 50 0 EGAARN Cc1ccc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)cc1Cl ZINC000001072129 209708613 /nfs/dbraw/zinc/70/86/13/209708613.db2.gz MVKGEIODWGEBBC-JTQLQIEISA-N 0 0 335.816 3.097 50 0 EGAARN Cc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038725474 213221533 /nfs/dbraw/zinc/22/15/33/213221533.db2.gz MTYOMWXZRXNDED-WOJBJXKFSA-N 0 0 348.446 3.083 50 0 EGAARN CCCCNC(=O)c1nnn(-c2ccc(C)c(C)c2)c1-c1ccncc1 ZINC000038651763 213219776 /nfs/dbraw/zinc/21/97/76/213219776.db2.gz POQWEIJMBOJSHA-UHFFFAOYSA-N 0 0 349.438 3.476 50 0 EGAARN CN(C)C(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2 ZINC000000798771 209686731 /nfs/dbraw/zinc/68/67/31/209686731.db2.gz INWRANVVTDVNMG-UHFFFAOYSA-N 0 0 327.453 3.203 50 0 EGAARN O=C1C[C@H](c2nc(C3CC3)no2)CN1CCc1ccc(Cl)cc1 ZINC000038671162 213218670 /nfs/dbraw/zinc/21/86/70/213218670.db2.gz GVLVFULSLXEIPP-ZDUSSCGKSA-N 0 0 331.803 3.159 50 0 EGAARN COc1ccc(CCNC(=O)c2ccc(SC)cc2OC)cc1 ZINC000000456259 209611640 /nfs/dbraw/zinc/61/16/40/209611640.db2.gz HLZDVCUOAHOSFR-UHFFFAOYSA-N 0 0 331.437 3.398 50 0 biogenic EGAARN Cc1nnc(NC(=O)c2ccc3c(c2)ncn3-c2ccccc2)s1 ZINC000036709147 213112640 /nfs/dbraw/zinc/11/26/40/213112640.db2.gz 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Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1 ZINC000009659390 278925708 /nfs/dbraw/zinc/92/57/08/278925708.db2.gz VZIALLOLLYXANM-UHFFFAOYSA-N 0 0 341.392 3.478 50 0 EGAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 ZINC000020726565 279186439 /nfs/dbraw/zinc/18/64/39/279186439.db2.gz YNFJPWLKKWLTIB-JTQLQIEISA-N 0 0 341.321 3.373 50 0 EGAARN CC(C)N(C(=O)c1ccccc1-c1ccc(N(C)C)nn1)C(C)C ZINC000096167051 279315693 /nfs/dbraw/zinc/31/56/93/279315693.db2.gz LQPAANGNPBAVBU-UHFFFAOYSA-N 0 0 326.444 3.469 50 0 EGAARN O=C(NC1CCCCCC1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000010327229 279825384 /nfs/dbraw/zinc/82/53/84/279825384.db2.gz QNYKCISNZDTWSD-UHFFFAOYSA-N 0 0 345.468 3.087 50 0 EGAARN Cc1c(C)n(CCO)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000013625029 280224227 /nfs/dbraw/zinc/22/42/27/280224227.db2.gz LQKGIVFJPBTJOR-UHFFFAOYSA-N 0 0 341.802 3.009 50 0 EGAARN Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)ccc1Cl ZINC000067298426 280292158 /nfs/dbraw/zinc/29/21/58/280292158.db2.gz TWOLVBRQPQXRQF-JZJYNLBNSA-N 0 0 328.755 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CC[C@H]1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1 ZINC000068079421 307368823 /nfs/dbraw/zinc/36/88/23/307368823.db2.gz OGCBGGYRAGKECY-ZDUSSCGKSA-N 0 0 329.375 3.215 50 0 EGAARN CO[C@H](CNS(=O)(=O)c1cccc(C)c1)c1ccc(C)s1 ZINC000096104787 454283670 /nfs/dbraw/zinc/28/36/70/454283670.db2.gz PXEUGXDJIKWTHD-CQSZACIVSA-N 0 0 325.455 3.031 50 0 EGAARN CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(-c2ccsc2)cc1 ZINC000238860893 455259458 /nfs/dbraw/zinc/25/94/58/455259458.db2.gz KQGKMMWJULAHSS-KRWDZBQOSA-N 0 0 340.452 3.461 50 0 EGAARN CC(C)NC(=O)c1ccccc1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000240203785 455263456 /nfs/dbraw/zinc/26/34/56/455263456.db2.gz JTGRSLYGYIQRIL-MRXNPFEDSA-N 0 0 336.435 3.420 50 0 EGAARN Cc1cc([C@H]2CCCCN2CC(=O)Nc2ccc(Cl)cn2)no1 ZINC000244734500 455277359 /nfs/dbraw/zinc/27/73/59/455277359.db2.gz NGOXNFFBXRZYNB-CQSZACIVSA-N 0 0 334.807 3.197 50 0 EGAARN Cc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cn1 ZINC000000036443 452494133 /nfs/dbraw/zinc/49/41/33/452494133.db2.gz WDJXTMAOAUIMEJ-UHFFFAOYSA-N 0 0 325.604 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/nfs/dbraw/zinc/54/08/10/452540810.db2.gz YDHMNRKJWCBIAA-UHFFFAOYSA-N 0 0 349.814 3.263 50 0 EGAARN Cc1cccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1C ZINC000000268349 452549972 /nfs/dbraw/zinc/54/99/72/452549972.db2.gz YGQREVILQMNBOV-UHFFFAOYSA-N 0 0 326.415 3.334 50 0 EGAARN COc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1 ZINC000000270581 452551613 /nfs/dbraw/zinc/55/16/13/452551613.db2.gz ZACZQDGMWBCZIP-UHFFFAOYSA-N 0 0 349.180 3.497 50 0 EGAARN COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1Br ZINC000000302828 452558308 /nfs/dbraw/zinc/55/83/08/452558308.db2.gz YIEOKTAJAGSDLO-UHFFFAOYSA-N 0 0 349.180 3.497 50 0 EGAARN COc1ccccc1Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000000311065 452560447 /nfs/dbraw/zinc/56/04/47/452560447.db2.gz ODAQKTVRGIZHNN-UHFFFAOYSA-N 0 0 326.352 3.353 50 0 EGAARN Cc1cc(OCC(=O)NCc2ccncc2)cc(C)c1Br ZINC000000311986 452561325 /nfs/dbraw/zinc/56/13/25/452561325.db2.gz SEZYPNQTGRBVEI-UHFFFAOYSA-N 0 0 349.228 3.156 50 0 EGAARN CC(C)NC(=O)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000000314395 452562274 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CC1(C)OC(=O)C([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)C(=O)O1 ZINC000013626577 453474146 /nfs/dbraw/zinc/47/41/46/453474146.db2.gz YCURTRQAAQWCBK-CQSZACIVSA-N 0 0 348.786 3.087 50 0 biogenic EGAARN CCc1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 ZINC000013636024 453476470 /nfs/dbraw/zinc/47/64/70/453476470.db2.gz LGRTWEQMDUSWTN-UHFFFAOYSA-N 0 0 325.481 3.403 50 0 EGAARN c1ccc2nc(-c3nn4c(nnc4-c4cccnc4)s3)ccc2c1 ZINC000013655069 453478797 /nfs/dbraw/zinc/47/87/97/453478797.db2.gz LVMKARAIMNVGNF-UHFFFAOYSA-N 0 0 330.376 3.463 50 0 EGAARN CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000013719676 453483372 /nfs/dbraw/zinc/48/33/72/453483372.db2.gz MKNYJEYHEYNPHO-INIZCTEOSA-N 0 0 341.455 3.182 50 0 EGAARN Cc1cccc(C(=O)Nc2cnc3sc4ccccc4n3c2=O)c1 ZINC000014291589 453529976 /nfs/dbraw/zinc/52/99/76/453529976.db2.gz CRQQFEBHOSZVTF-UHFFFAOYSA-N 0 0 335.388 3.470 50 0 EGAARN Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC[C@H]2C)no1 ZINC000015064254 453552831 /nfs/dbraw/zinc/55/28/31/453552831.db2.gz JUJTYNKEKZXJRW-CYBMUJFWSA-N 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KETHUUMJSHHWBU-CQSZACIVSA-N 0 0 336.395 3.190 50 0 EGAARN CCc1cccc(CC)c1NC(=O)c1cnc2scc(C)n2c1=O ZINC000016626457 453616178 /nfs/dbraw/zinc/61/61/78/453616178.db2.gz BEGMHOIQOGEYGV-UHFFFAOYSA-N 0 0 341.436 3.442 50 0 EGAARN COc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2C2CC2)cc1 ZINC000016625090 453616381 /nfs/dbraw/zinc/61/63/81/453616381.db2.gz QDDLNLCKEUQQHL-UHFFFAOYSA-N 0 0 348.406 3.083 50 0 EGAARN CCSc1nnc(N)n1[C@@H](CC)C(=O)Nc1c(C)cc(C)cc1C ZINC000016648198 453617977 /nfs/dbraw/zinc/61/79/77/453617977.db2.gz QASOKNYGSCNKTA-ZDUSSCGKSA-N 0 0 347.488 3.487 50 0 EGAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-n3nncc3C)cc2)cc1 ZINC000016651155 453618215 /nfs/dbraw/zinc/61/82/15/453618215.db2.gz CXWCFPWRBDEJBV-CQSZACIVSA-N 0 0 336.395 3.075 50 0 EGAARN CCc1c(C)nc(Nc2nc(C)c3cc4c(cc3n2)CCC4)[nH]c1=O ZINC000017045812 453626614 /nfs/dbraw/zinc/62/66/14/453626614.db2.gz IVQFXSKRCFPOHR-UHFFFAOYSA-N 0 0 335.411 3.125 50 0 EGAARN COc1cc(NC(=O)CN2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000017066891 453627439 /nfs/dbraw/zinc/62/74/39/453627439.db2.gz IBUSTJXAQZCWAU-NSHDSACASA-N 0 0 326.824 3.170 50 0 EGAARN CCOC(=O)CSc1nnc(-c2ccccc2OCC)n1CC ZINC000017070642 453628352 /nfs/dbraw/zinc/62/83/52/453628352.db2.gz VQGGNKGVGPIIBT-UHFFFAOYSA-N 0 0 335.429 3.019 50 0 EGAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3CC3)c12 ZINC000017068329 453628360 /nfs/dbraw/zinc/62/83/60/453628360.db2.gz MHTXDIBKYDTHEF-UHFFFAOYSA-N 0 0 332.407 3.499 50 0 EGAARN O=C(CSc1nccn1C1CCCC1)Nc1ccc2c(c1)OCO2 ZINC000017170452 453630885 /nfs/dbraw/zinc/63/08/85/453630885.db2.gz PYKDSCUIZNDRGC-UHFFFAOYSA-N 0 0 345.424 3.458 50 0 EGAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ncn(-c2ccccc2)n1 ZINC000017193636 453631052 /nfs/dbraw/zinc/63/10/52/453631052.db2.gz ZWDWQGCLILYKIQ-UHFFFAOYSA-N 0 0 348.284 3.418 50 0 EGAARN COc1cccc([C@H]2SCC(=O)N2c2ncc(C)s2)c1OC ZINC000017198089 453631168 /nfs/dbraw/zinc/63/11/68/453631168.db2.gz NTKMEVTVNOVRQC-CQSZACIVSA-N 0 0 336.438 3.247 50 0 EGAARN CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000017248019 453631862 /nfs/dbraw/zinc/63/18/62/453631862.db2.gz BCZDNSJXRWJKDL-UHFFFAOYSA-N 0 0 344.436 3.177 50 0 EGAARN C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000017946391 453639948 /nfs/dbraw/zinc/63/99/48/453639948.db2.gz JMLNVSUIYFMLOG-IYBDPMFKSA-N 0 0 328.456 3.043 50 0 EGAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000018023417 453641498 /nfs/dbraw/zinc/64/14/98/453641498.db2.gz DHZZMIICUCAUQN-HNNXBMFYSA-N 0 0 347.440 3.343 50 0 EGAARN O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cccc2nsnc21 ZINC000019079525 453653366 /nfs/dbraw/zinc/65/33/66/453653366.db2.gz UPKSVJCOELNVHZ-CYBMUJFWSA-N 0 0 345.449 3.047 50 0 EGAARN COC(=O)/C=C1\[C@@H]2CC(=O)c3cc(OC)ccc3[C@@H]2CC[C@@]1(C)C#N ZINC000019910130 453660929 /nfs/dbraw/zinc/66/09/29/453660929.db2.gz WUKJWSATQLGIGS-LWWODYBFSA-N 0 0 339.391 3.404 50 0 EGAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=S)CN(C2CCCC2)CN3)cc1 ZINC000020394316 453665153 /nfs/dbraw/zinc/66/51/53/453665153.db2.gz ASGDQWZSXUKGNJ-UHFFFAOYSA-N 0 0 342.468 3.331 50 0 EGAARN CC[NH+](CC)CCCn1c(=O)c2ccc(Cl)cc2[n-]c1=S ZINC000020645208 453667819 /nfs/dbraw/zinc/66/78/19/453667819.db2.gz RRCRZASBAQEBEE-UHFFFAOYSA-N 0 0 325.865 3.071 50 0 EGAARN O=c1c(CN2CCC[C@H](CO)C2)coc2c(Cl)cc(Cl)cc12 ZINC000023281306 453708407 /nfs/dbraw/zinc/70/84/07/453708407.db2.gz MFJASRFPTLMGHA-JTQLQIEISA-N 0 0 342.222 3.304 50 0 EGAARN Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccnc(Cl)c1 ZINC000027442482 453816874 /nfs/dbraw/zinc/81/68/74/453816874.db2.gz AIJQDRMDPYGXIG-UHFFFAOYSA-N 0 0 339.178 3.492 50 0 EGAARN CC(C)CCOc1ccc([C@H](O)CC[NH2+][C@@H](C(=O)[O-])C(C)C)cc1 ZINC000027517028 453817561 /nfs/dbraw/zinc/81/75/61/453817561.db2.gz OUWRGZLPPUMWJB-QZTJIDSGSA-N 0 0 337.460 3.234 50 0 EGAARN C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000027580861 453818840 /nfs/dbraw/zinc/81/88/40/453818840.db2.gz FAPFDLCOFXHDNS-JTQLQIEISA-N 0 0 346.770 3.077 50 0 EGAARN O=C(Nc1ccccc1Cl)c1cccc(CN2CCOCC2)c1 ZINC000030848985 453839142 /nfs/dbraw/zinc/83/91/42/453839142.db2.gz XCHCXHBRKFRFEE-UHFFFAOYSA-N 0 0 330.815 3.425 50 0 EGAARN COc1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)c(OC)c1 ZINC000032096775 453863977 /nfs/dbraw/zinc/86/39/77/453863977.db2.gz PAQJACKXZGWLGQ-UHFFFAOYSA-N 0 0 343.408 3.132 50 0 EGAARN Cc1nc(NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)sc1C ZINC000032104125 453864973 /nfs/dbraw/zinc/86/49/73/453864973.db2.gz CQWOBEYUCULWIV-HNNXBMFYSA-N 0 0 343.452 3.379 50 0 EGAARN COc1ccc(C[C@@](C)(O)CNC(=O)c2ccccc2SC)cc1 ZINC000075155534 453866954 /nfs/dbraw/zinc/86/69/54/453866954.db2.gz ZEUVCFOAEZGJNQ-LJQANCHMSA-N 0 0 345.464 3.141 50 0 EGAARN O=C(NCc1cccc2ccccc21)NC[C@@H](O)c1cccs1 ZINC000075156128 453867259 /nfs/dbraw/zinc/86/72/59/453867259.db2.gz KXAUTQPAZBTHGR-MRXNPFEDSA-N 0 0 326.421 3.434 50 0 EGAARN C[C@H](NC(=O)c1coc(NC(=O)c2ccsc2)n1)c1ccccc1 ZINC000075157919 453867647 /nfs/dbraw/zinc/86/76/47/453867647.db2.gz FROUVBWMIAPVSW-NSHDSACASA-N 0 0 341.392 3.479 50 0 EGAARN Cc1nccn1-c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000075163841 453868270 /nfs/dbraw/zinc/86/82/70/453868270.db2.gz UTQIHTIQYCCFOP-UHFFFAOYSA-N 0 0 331.738 3.016 50 0 EGAARN CC(C)(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2nonc21 ZINC000032578727 453878237 /nfs/dbraw/zinc/87/82/37/453878237.db2.gz VXAIUXLRYAPQMU-VXGBXAGGSA-N 0 0 337.445 3.106 50 0 EGAARN CCSc1nsc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)n1 ZINC000032593902 453878892 /nfs/dbraw/zinc/87/88/92/453878892.db2.gz OKGGIFUARUTTIA-UHFFFAOYSA-N 0 0 347.421 3.317 50 0 EGAARN O=C(COc1ccc(F)cc1)Nc1noc(-c2ccc(F)cc2)n1 ZINC000032622765 453880511 /nfs/dbraw/zinc/88/05/11/453880511.db2.gz LRZAATOJGWAANJ-UHFFFAOYSA-N 0 0 331.278 3.032 50 0 EGAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000032986061 453899799 /nfs/dbraw/zinc/89/97/99/453899799.db2.gz HDVUKHZHWIZEKG-UHFFFAOYSA-N 0 0 348.830 3.335 50 0 EGAARN Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)no1 ZINC000033086899 453904169 /nfs/dbraw/zinc/90/41/69/453904169.db2.gz YSYOZCLMXUERHV-SNVBAGLBSA-N 0 0 332.834 3.224 50 0 EGAARN COc1ccc2c(c1)[C@@H](C)N1C(=O)c3cc(OC)c(OC)cc3[C@@H]1O2 ZINC000035324822 453923063 /nfs/dbraw/zinc/92/30/63/453923063.db2.gz CXBUZJNCDPSBIT-DGIBIBHMSA-N 0 0 341.363 3.320 50 0 EGAARN CCCc1cc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)no1 ZINC000082096349 453923396 /nfs/dbraw/zinc/92/33/96/453923396.db2.gz BOPYFELTNXIXTK-KRWDZBQOSA-N 0 0 328.412 3.449 50 0 EGAARN Cc1ccccc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1=O ZINC000082109201 453924864 /nfs/dbraw/zinc/92/48/64/453924864.db2.gz ZOXDVHROYYAWDA-UHFFFAOYSA-N 0 0 346.434 3.030 50 0 EGAARN Cc1cnc(C)c(N2CCC(Cc3nncn3-c3ccccc3)CC2)n1 ZINC000082114660 453924904 /nfs/dbraw/zinc/92/49/04/453924904.db2.gz CFDBGQSWNNZRAN-UHFFFAOYSA-N 0 0 348.454 3.133 50 0 EGAARN CC(C)Cc1cc(C(=O)NCc2cccc(N3CCCC3)c2)n(C)n1 ZINC000082136819 453925779 /nfs/dbraw/zinc/92/57/79/453925779.db2.gz OQPAJUGIRSUDHN-UHFFFAOYSA-N 0 0 340.471 3.149 50 0 EGAARN Cc1cc(C)nc(CNC(=O)c2csc(-c3cccs3)n2)n1 ZINC000082138855 453926218 /nfs/dbraw/zinc/92/62/18/453926218.db2.gz ZXGUBXREJOAYIP-UHFFFAOYSA-N 0 0 330.438 3.208 50 0 EGAARN Cc1cccn2cc(C(=O)N3CC(Oc4c(C)cccc4C)C3)nc12 ZINC000082146832 453926717 /nfs/dbraw/zinc/92/67/17/453926717.db2.gz GSKKNTFEENHDQF-UHFFFAOYSA-N 0 0 335.407 3.163 50 0 EGAARN Cc1ncsc1CCC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 ZINC000082161628 453927201 /nfs/dbraw/zinc/92/72/01/453927201.db2.gz RTFJFUZABNKYGA-GFCCVEGCSA-N 0 0 334.445 3.254 50 0 EGAARN Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000082170527 453927234 /nfs/dbraw/zinc/92/72/34/453927234.db2.gz RXRMKEFEJUGTLG-GFCCVEGCSA-N 0 0 335.354 3.041 50 0 EGAARN O=C(c1ccc[nH]1)N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067675450 453954956 /nfs/dbraw/zinc/95/49/56/453954956.db2.gz QJONCXNWMXCRMN-INIZCTEOSA-N 0 0 334.423 3.348 50 0 EGAARN COc1ccc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)cc1 ZINC000041097807 453956282 /nfs/dbraw/zinc/95/62/82/453956282.db2.gz ZNYLXSJUSRURLH-UHFFFAOYSA-N 0 0 330.369 3.071 50 0 EGAARN c1ccc(CNc2nc3ccccc3c(NC[C@H]3CCCO3)n2)nc1 ZINC000041151891 453958206 /nfs/dbraw/zinc/95/82/06/453958206.db2.gz KNRNMABDRRONNM-OAHLLOKOSA-N 0 0 335.411 3.228 50 0 EGAARN Cc1ccc(OCC(=O)NCCOc2cccc(C)c2C)cc1C ZINC000041156759 453958398 /nfs/dbraw/zinc/95/83/98/453958398.db2.gz HWKJCZCVQWYYDZ-UHFFFAOYSA-N 0 0 327.424 3.494 50 0 EGAARN COc1cccc2c1OC[C@H](C(=O)NCCSc1ccccc1)C2 ZINC000076125852 453968306 /nfs/dbraw/zinc/96/83/06/453968306.db2.gz VMAWAYOHELWMRF-OAHLLOKOSA-N 0 0 343.448 3.155 50 0 EGAARN Cc1ncnc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1C ZINC000067820880 453969505 /nfs/dbraw/zinc/96/95/05/453969505.db2.gz QGVPIJZCYNOLJJ-IBGZPJMESA-N 0 0 329.419 3.054 50 0 EGAARN COc1cccc(CC(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000055755910 454012809 /nfs/dbraw/zinc/01/28/09/454012809.db2.gz PDKOSYNMYXBACB-UHFFFAOYSA-N 0 0 326.396 3.015 50 0 EGAARN O=C(CCSc1ccccc1)N1CCC(Oc2cnccn2)CC1 ZINC000085557269 454032818 /nfs/dbraw/zinc/03/28/18/454032818.db2.gz GYZTWCKQNWSASV-UHFFFAOYSA-N 0 0 343.452 3.029 50 0 EGAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)c(OC)c1 ZINC000043330457 454056320 /nfs/dbraw/zinc/05/63/20/454056320.db2.gz SLWSUOUMAOHZLK-OAHLLOKOSA-N 0 0 331.372 3.369 50 0 EGAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)c2cccs2)CC1 ZINC000044001842 454085765 /nfs/dbraw/zinc/08/57/65/454085765.db2.gz AVFYEWWUGSLAJR-AATRIKPKSA-N 0 0 344.436 3.023 50 0 EGAARN Cc1nnsc1C(=O)N1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000077299758 454087407 /nfs/dbraw/zinc/08/74/07/454087407.db2.gz GDCVVJILBOIACH-ZDUSSCGKSA-N 0 0 327.413 3.009 50 0 EGAARN Cc1ccc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)cc1 ZINC000044167788 454090635 /nfs/dbraw/zinc/09/06/35/454090635.db2.gz KAKHLDYCCRNBIW-UHFFFAOYSA-N 0 0 326.787 3.159 50 0 EGAARN O=C(c1ccccc1)[C@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000077343755 454094308 /nfs/dbraw/zinc/09/43/08/454094308.db2.gz UQECGNCFJPQDOT-IBGZPJMESA-N 0 0 346.434 3.426 50 0 EGAARN O=C(c1ccccc1)[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000077343753 454094354 /nfs/dbraw/zinc/09/43/54/454094354.db2.gz UQECGNCFJPQDOT-LJQANCHMSA-N 0 0 346.434 3.426 50 0 EGAARN Cc1cccc([C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)c1 ZINC000077353889 454095992 /nfs/dbraw/zinc/09/59/92/454095992.db2.gz CBBSGLKYAOQBEH-SFHVURJKSA-N 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QSEZZPGLOHSJMR-KRWDZBQOSA-N 0 0 332.407 3.205 50 0 EGAARN c1cn([C@H]2CCc3n[nH]cc3C2)c(-c2ccc(-c3cc[nH]n3)s2)n1 ZINC000077540069 454119526 /nfs/dbraw/zinc/11/95/26/454119526.db2.gz WNEDGSXHKHVPBS-LBPRGKRZSA-N 0 0 336.424 3.455 50 0 EGAARN O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccco1 ZINC000044836576 454121937 /nfs/dbraw/zinc/12/19/37/454121937.db2.gz IGVASNBKIJCJGS-UHFFFAOYSA-N 0 0 349.140 3.449 50 0 EGAARN COc1ccc(Cl)cc1NC(=O)c1cnn(C)c1-n1cccc1 ZINC000044892039 454124551 /nfs/dbraw/zinc/12/45/51/454124551.db2.gz HFDGMPUKCUGOOE-UHFFFAOYSA-N 0 0 330.775 3.125 50 0 EGAARN COc1cccc(-c2cc(C(=O)NCc3cc(F)cc(F)c3)[nH]n2)c1 ZINC000057413796 454126185 /nfs/dbraw/zinc/12/61/85/454126185.db2.gz BDORJKDSFFHNQC-UHFFFAOYSA-N 0 0 343.333 3.294 50 0 EGAARN CCCNC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000057487297 454132541 /nfs/dbraw/zinc/13/25/41/454132541.db2.gz PMGYOSFVMKJZEC-UHFFFAOYSA-N 0 0 344.802 3.385 50 0 EGAARN COc1ccc([C@H](C)NC(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000045382490 454155449 /nfs/dbraw/zinc/15/54/49/454155449.db2.gz AQLOYTCLRPUSIH-LBPRGKRZSA-N 0 0 342.395 3.153 50 0 EGAARN O=C(CSc1ccc(-n2ccnc2)nn1)Nc1ccccc1Cl ZINC000070635255 454170031 /nfs/dbraw/zinc/17/00/31/454170031.db2.gz OTJMCODQUXLZEC-UHFFFAOYSA-N 0 0 345.815 3.047 50 0 EGAARN O=C(NCc1ccccc1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070640276 454170113 /nfs/dbraw/zinc/17/01/13/454170113.db2.gz WHAHXTASCSQIKE-HNNXBMFYSA-N 0 0 338.329 3.238 50 0 EGAARN COc1cccc2c1ccn2CCC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000070666490 454170157 /nfs/dbraw/zinc/17/01/57/454170157.db2.gz VPOBLJZFLPQQOJ-CQSZACIVSA-N 0 0 330.428 3.114 50 0 biogenic EGAARN CC(=O)c1cn(CCC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc12 ZINC000070666448 454170348 /nfs/dbraw/zinc/17/03/48/454170348.db2.gz AYEBSROEYGMGMX-OAHLLOKOSA-N 0 0 342.439 3.308 50 0 biogenic EGAARN CCOc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C1CC1 ZINC000070966293 454190111 /nfs/dbraw/zinc/19/01/11/454190111.db2.gz WBSYFBVEPIHBCO-HXUWFJFHSA-N 0 0 325.408 3.113 50 0 EGAARN Cc1nc[nH]c1C(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000071639533 454210432 /nfs/dbraw/zinc/21/04/32/454210432.db2.gz TVYPXZOUHNVMSM-CYBMUJFWSA-N 0 0 333.382 3.481 50 0 EGAARN Cc1ccn2c(=O)cc(CN3CCO[C@H](CCCC(C)C)C3)nc2c1 ZINC000071746406 454211885 /nfs/dbraw/zinc/21/18/85/454211885.db2.gz OLEXMJJIQPFXAR-GOSISDBHSA-N 0 0 343.471 3.030 50 0 EGAARN CCC(CC)Nc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 ZINC000071748949 454213079 /nfs/dbraw/zinc/21/30/79/454213079.db2.gz AZJMQPSGHDKCBM-UHFFFAOYSA-N 0 0 339.443 3.044 50 0 EGAARN COc1ccc(-c2nc(CN(C)C[C@H]3CCCO3)c(C)o2)c(F)c1 ZINC000071748831 454213529 /nfs/dbraw/zinc/21/35/29/454213529.db2.gz WPJJLMMUUNBKNC-CQSZACIVSA-N 0 0 334.391 3.409 50 0 EGAARN O=C(NCc1nnc(-c2ccccc2)o1)c1cccc2c1NCCC2 ZINC000071756903 454214013 /nfs/dbraw/zinc/21/40/13/454214013.db2.gz ZNTGBQYZXVCCDK-UHFFFAOYSA-N 0 0 334.379 3.025 50 0 EGAARN CCc1[nH]c2c(cc(C)cc2CNC(=O)c2cnc(NC)nc2)c1C ZINC000071753496 454214786 /nfs/dbraw/zinc/21/47/86/454214786.db2.gz YKCCMXJPRRHGEZ-UHFFFAOYSA-N 0 0 337.427 3.109 50 0 EGAARN COc1ccc(-n2cccn2)c(CN2CCc3nc[nH]c3[C@H]2C2CC2)c1 ZINC000071763502 454215076 /nfs/dbraw/zinc/21/50/76/454215076.db2.gz NLJMYOPVUMQPRL-HXUWFJFHSA-N 0 0 349.438 3.113 50 0 EGAARN O=C(CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)NC1CC1 ZINC000071760387 454215303 /nfs/dbraw/zinc/21/53/03/454215303.db2.gz MHVCRNCSECECHO-HNNXBMFYSA-N 0 0 343.254 3.035 50 0 EGAARN CCN1C[C@H](Cn2ccnc2-c2ccc(OC)c(C)c2C)CC1=O ZINC000071760443 454215656 /nfs/dbraw/zinc/21/56/56/454215656.db2.gz WNGADHQNGSIFTI-OAHLLOKOSA-N 0 0 327.428 3.044 50 0 EGAARN COc1ccc(F)c(-c2nc(CN(C)CCC(C)(C)O)c(C)o2)c1 ZINC000071764056 454216298 /nfs/dbraw/zinc/21/62/98/454216298.db2.gz WTIMVVIXQJNCQQ-UHFFFAOYSA-N 0 0 336.407 3.391 50 0 EGAARN O=C(CCO)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071765588 454216381 /nfs/dbraw/zinc/21/63/81/454216381.db2.gz ZGAODFLPTCRQJJ-CYBMUJFWSA-N 0 0 329.362 3.259 50 0 EGAARN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000071775493 454218148 /nfs/dbraw/zinc/21/81/48/454218148.db2.gz DZBFJINHEFSWAC-GFCCVEGCSA-N 0 0 330.281 3.019 50 0 EGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc3ncccc32)n[nH]1 ZINC000095472433 454218260 /nfs/dbraw/zinc/21/82/60/454218260.db2.gz CQHNPLATCMLUFM-UHFFFAOYSA-N 0 0 346.394 3.228 50 0 EGAARN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(-c2ccc[nH]2)nc1 ZINC000071776392 454218470 /nfs/dbraw/zinc/21/84/70/454218470.db2.gz GVFXDHXAKRVHGR-HNNXBMFYSA-N 0 0 349.390 3.037 50 0 EGAARN CC(C)c1sc(Br)nc1C(=O)NCc1cccnc1 ZINC000095475958 454219791 /nfs/dbraw/zinc/21/97/91/454219791.db2.gz NATVBFGOZKHKIM-UHFFFAOYSA-N 0 0 340.246 3.354 50 0 EGAARN O=C(Nc1nc(-c2ccncc2)cs1)c1cc(-c2ccco2)[nH]n1 ZINC000095476851 454219822 /nfs/dbraw/zinc/21/98/22/454219822.db2.gz PZFKQKAPIIPBLA-UHFFFAOYSA-N 0 0 337.364 3.441 50 0 EGAARN O=C1C[C@H](NCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000095483053 454220684 /nfs/dbraw/zinc/22/06/84/454220684.db2.gz TYXYPBNKCPYXQD-HNNXBMFYSA-N 0 0 349.217 3.415 50 0 EGAARN COC(=O)C[C@H](c1c(C)[nH][nH]c1=O)c1ccc(OC)c2ccccc21 ZINC000095480419 454221534 /nfs/dbraw/zinc/22/15/34/454221534.db2.gz YHOYJHDDDKJGCW-HNNXBMFYSA-N 0 0 340.379 3.281 50 0 EGAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 ZINC000095504144 454223293 /nfs/dbraw/zinc/22/32/93/454223293.db2.gz ZMHVVDVKBBFMTO-KRWDZBQOSA-N 0 0 341.455 3.338 50 0 EGAARN Cc1nn(C)c2nc(NCCCN3Cc4ccccc4C3)sc12 ZINC000095504808 454224404 /nfs/dbraw/zinc/22/44/04/454224404.db2.gz JBGIRSAAHVWGLX-UHFFFAOYSA-N 0 0 327.457 3.156 50 0 EGAARN Cc1ccc2nc(C)c(C)c(C(=O)N3C[C@H]4CCC[C@@]4(CO)C3)c2c1 ZINC000095506138 454224458 /nfs/dbraw/zinc/22/44/58/454224458.db2.gz YKKQPBPZQYBFPD-IERDGZPVSA-N 0 0 338.451 3.395 50 0 EGAARN Cc1nc([C@H](C)N(C)C(=O)CN2CC3(CCCC3)CC2=O)c(C)s1 ZINC000095515244 454225465 /nfs/dbraw/zinc/22/54/65/454225465.db2.gz UDPRWPMOCZYMEL-LBPRGKRZSA-N 0 0 349.500 3.072 50 0 EGAARN CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)COC1 ZINC000095630818 454231649 /nfs/dbraw/zinc/23/16/49/454231649.db2.gz UMCMEBBTJRMVBP-UHFFFAOYSA-N 0 0 328.206 3.199 50 0 EGAARN Cc1nc([C@@H]2CN(Cc3csc(-c4ccccc4)n3)CCO2)no1 ZINC000095958058 454238142 /nfs/dbraw/zinc/23/81/42/454238142.db2.gz WIQBDEIEJMBEGB-HNNXBMFYSA-N 0 0 342.424 3.075 50 0 EGAARN Cc1nc([C@@H]2CN(Cc3ccc(Cl)c4cccnc34)CCO2)no1 ZINC000095958026 454238284 /nfs/dbraw/zinc/23/82/84/454238284.db2.gz GZALSKRMAHNJPI-HNNXBMFYSA-N 0 0 344.802 3.153 50 0 EGAARN O=C(c1ccccc1Cl)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025350 454264555 /nfs/dbraw/zinc/26/45/55/454264555.db2.gz DHAOZBWZMXSXMC-AWEZNQCLSA-N 0 0 349.839 3.028 50 0 EGAARN Cc1cccc(S(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)c1 ZINC000096097279 454281034 /nfs/dbraw/zinc/28/10/34/454281034.db2.gz XMQGVBTYAAUUGQ-INIZCTEOSA-N 0 0 345.420 3.143 50 0 EGAARN CSc1ccc([C@H](O)CNC(=O)c2ccc3ncsc3c2)cc1 ZINC000096103086 454282834 /nfs/dbraw/zinc/28/28/34/454282834.db2.gz RBSGLTHVQRUABG-OAHLLOKOSA-N 0 0 344.461 3.482 50 0 EGAARN O=C(CCc1ccccc1F)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000096103587 454283743 /nfs/dbraw/zinc/28/37/43/454283743.db2.gz XWUJTBIJJNTHRN-UHFFFAOYSA-N 0 0 340.398 3.218 50 0 EGAARN CSc1ccc([C@@H](O)CNC(=O)CSCc2ccccc2)cc1 ZINC000096103103 454283956 /nfs/dbraw/zinc/28/39/56/454283956.db2.gz NQQSXJDHSMJUTA-KRWDZBQOSA-N 0 0 347.505 3.492 50 0 EGAARN CNC(=O)Cc1ccc(NC(=O)/C=C/c2ccc(SC)cc2)cc1 ZINC000096120178 454288875 /nfs/dbraw/zinc/28/88/75/454288875.db2.gz IIPSRJAKRXKJBF-KPKJPENVSA-N 0 0 340.448 3.349 50 0 EGAARN COc1ccc(CCC(=O)NC[C@@](C)(OC)c2ccccc2F)cc1 ZINC000096123491 454289372 /nfs/dbraw/zinc/28/93/72/454289372.db2.gz KTNHORLCOOGKIM-HXUWFJFHSA-N 0 0 345.414 3.445 50 0 EGAARN CCOCCOc1ccccc1NC(=O)N[C@@H]1COC2(CCCC2)C1 ZINC000096133205 454291036 /nfs/dbraw/zinc/29/10/36/454291036.db2.gz NPNFQMYWWMKTJA-HNNXBMFYSA-N 0 0 348.443 3.325 50 0 EGAARN CC(C)n1ncc2c1NC(=O)C[C@@]21C(=O)Nc2c1cccc2Cl ZINC000072404785 454294420 /nfs/dbraw/zinc/29/44/20/454294420.db2.gz HTLFUQPYCNYSIN-INIZCTEOSA-N 0 0 330.775 3.347 50 0 EGAARN Cc1nnsc1C(=O)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072420977 454295768 /nfs/dbraw/zinc/29/57/68/454295768.db2.gz HPZWOLPUVJPECQ-ZDUSSCGKSA-N 0 0 345.403 3.229 50 0 EGAARN CCN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000096319192 454319495 /nfs/dbraw/zinc/31/94/95/454319495.db2.gz QSYIAKAIHWXARP-UHFFFAOYSA-N 0 0 336.501 3.061 50 0 EGAARN CO[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000096388143 454320343 /nfs/dbraw/zinc/32/03/43/454320343.db2.gz STFNTGHSCLFGGS-INIZCTEOSA-N 0 0 337.778 3.362 50 0 EGAARN O=C(NCCc1cccs1)c1cc(OCc2ccccc2)no1 ZINC000090610028 454327505 /nfs/dbraw/zinc/32/75/05/454327505.db2.gz KQDRADMTKBJUMA-UHFFFAOYSA-N 0 0 328.393 3.288 50 0 EGAARN COc1ccccc1-c1cc2c(=O)n(Cc3ccccc3F)ccn2n1 ZINC000090610213 454327621 /nfs/dbraw/zinc/32/76/21/454327621.db2.gz SRSZOBNMPHXKGD-UHFFFAOYSA-N 0 0 349.365 3.359 50 0 EGAARN O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(Cl)c1Cl ZINC000061111392 454328306 /nfs/dbraw/zinc/32/83/06/454328306.db2.gz VXYBASNKRSYVPQ-UHFFFAOYSA-N 0 0 348.189 3.342 50 0 EGAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1-c1ccc(=O)[nH]n1 ZINC000090613938 454328946 /nfs/dbraw/zinc/32/89/46/454328946.db2.gz LGKMMCWYTUZDKD-UHFFFAOYSA-N 0 0 344.374 3.099 50 0 EGAARN Cn1ccc2c1cccc2NC(=O)c1cn(C)c(=O)c2ccccc12 ZINC000062001380 454364912 /nfs/dbraw/zinc/36/49/12/454364912.db2.gz BGBSXEAXOXVELL-UHFFFAOYSA-N 0 0 331.375 3.283 50 0 biogenic EGAARN COc1cccc2cc(C(=O)N3CCC(Cn4cccn4)CC3)oc21 ZINC000062017732 454364986 /nfs/dbraw/zinc/36/49/86/454364986.db2.gz JQBNOQCPIOJALR-UHFFFAOYSA-N 0 0 339.395 3.190 50 0 EGAARN COc1cc(C(=O)Nc2cccc3c2ccn3C)cc(OC)c1OC ZINC000062001308 454365209 /nfs/dbraw/zinc/36/52/09/454365209.db2.gz ZIEUCSCQHNSJKQ-UHFFFAOYSA-N 0 0 340.379 3.456 50 0 biogenic EGAARN Cc1[nH]nc(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)c1Cl ZINC000097213165 454425269 /nfs/dbraw/zinc/42/52/69/454425269.db2.gz HASJCVSQVOLIOG-AWEZNQCLSA-N 0 0 343.818 3.129 50 0 EGAARN CC(C)c1ccc(OCC(=O)N2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000121354054 454425566 /nfs/dbraw/zinc/42/55/66/454425566.db2.gz MPDMZZOPALVZBH-IBGZPJMESA-N 0 0 340.423 3.264 50 0 EGAARN CCc1nc(C)c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)o1 ZINC000097217607 454425922 /nfs/dbraw/zinc/42/59/22/454425922.db2.gz CRWNSTJXZIEPCY-UHFFFAOYSA-N 0 0 328.368 3.079 50 0 EGAARN O=C(c1ccccc1-n1cnnc1)N1CCCC[C@@H]1c1cccnc1 ZINC000097759283 454445813 /nfs/dbraw/zinc/44/58/13/454445813.db2.gz RRKYVLPCLYDAII-QGZVFWFLSA-N 0 0 333.395 3.030 50 0 EGAARN C[C@H](Cc1ccsc1)NC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000091643506 454454423 /nfs/dbraw/zinc/45/44/23/454454423.db2.gz CJQNKKMVIVVYEZ-LLVKDONJSA-N 0 0 327.409 3.205 50 0 EGAARN CC(C)c1nc(CCNC(=O)[C@H](c2ccccc2F)N(C)C)cs1 ZINC000091636233 454454929 /nfs/dbraw/zinc/45/49/29/454454929.db2.gz JYXBGDOULISFLM-INIZCTEOSA-N 0 0 349.475 3.367 50 0 EGAARN CO[C@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000121744675 454471769 /nfs/dbraw/zinc/47/17/69/454471769.db2.gz BVLAWTNKYBQNOQ-MRXNPFEDSA-N 0 0 333.771 3.186 50 0 EGAARN CCNC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000091807530 454474657 /nfs/dbraw/zinc/47/46/57/454474657.db2.gz XZFFDWSTHPYIAA-INIZCTEOSA-N 0 0 342.443 3.214 50 0 EGAARN COC(=O)c1ccc(C(=O)NC[C@@H](OC)c2ccccc2Cl)cc1 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CS(=O)(=O)c1ccc(-c2ccccc2OCCn2ccnc2)cc1 ZINC000065408656 454561780 /nfs/dbraw/zinc/56/17/80/454561780.db2.gz JXYIARGLICRYEG-UHFFFAOYSA-N 0 0 342.420 3.033 50 0 EGAARN O=C(NC[C@@H](O)c1cccnc1)c1cccc(-c2cccc(F)c2)c1 ZINC000065406709 454562020 /nfs/dbraw/zinc/56/20/20/454562020.db2.gz DJNIVAAGLGRAHL-LJQANCHMSA-N 0 0 336.366 3.351 50 0 EGAARN CC(C)c1cc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)no1 ZINC000065420149 454564667 /nfs/dbraw/zinc/56/46/67/454564667.db2.gz JIOPATQZOFRHIM-UHFFFAOYSA-N 0 0 326.356 3.120 50 0 EGAARN CCn1ccc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)n1 ZINC000065425373 454565180 /nfs/dbraw/zinc/56/51/80/454565180.db2.gz HWHKJFLPTYEHPF-HXUWFJFHSA-N 0 0 337.423 3.374 50 0 EGAARN CNc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)ccn1 ZINC000065463342 454571720 /nfs/dbraw/zinc/57/17/20/454571720.db2.gz ZBZDRUZDTTWQET-OAHLLOKOSA-N 0 0 349.394 3.151 50 0 EGAARN Cn1cnnc1Sc1ccc(CN2CCC[C@H]2c2ccccn2)o1 ZINC000065468040 454572995 /nfs/dbraw/zinc/57/29/95/454572995.db2.gz CPIXCXJVJRSYNV-HNNXBMFYSA-N 0 0 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