smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000217209398 241242666 /nfs/dbraw/zinc/24/26/66/241242666.db2.gz NASXAXGFHRBXKJ-CYBMUJFWSA-N 0 0 340.383 2.073 50 70 EEIARN Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 ZINC000218047631 464109108 /nfs/dbraw/zinc/10/91/08/464109108.db2.gz LVWGLEZQWZQPJP-GFCCVEGCSA-N 0 0 337.331 2.241 50 70 biogenic EEIARN CC(C)c1cc(C(=O)NCCN2CCOCC2)n(-c2ccccc2)n1 ZINC000218201607 535363202 /nfs/dbraw/zinc/36/32/02/535363202.db2.gz ASQHPLNXMNPTPJ-UHFFFAOYSA-N 0 0 342.443 2.058 50 70 EEIARN COc1ccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cn1 ZINC000217665713 536733104 /nfs/dbraw/zinc/73/31/04/536733104.db2.gz YAEFUKKJPRMNDL-MRXNPFEDSA-N 0 0 349.394 2.436 50 70 EEIARN O=C(CNC(=O)c1ccccc1)N[C@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12 ZINC000218517268 241327864 /nfs/dbraw/zinc/32/78/64/241327864.db2.gz CONLYYINDSHATK-AITUJVMLSA-N 0 0 342.439 2.126 50 70 EEIARN O=C(C=Cc1ccco1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000217979461 241287753 /nfs/dbraw/zinc/28/77/53/241287753.db2.gz VKNKSZRCFRTJOP-XVJNWHFHSA-N 0 0 340.335 2.129 50 70 EEIARN CN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccncc1 ZINC000218219163 241305513 /nfs/dbraw/zinc/30/55/13/241305513.db2.gz JAPUXEBPHOWYOB-UHFFFAOYSA-N 0 0 340.452 2.482 50 70 EEIARN Cc1nccn1-c1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000218726718 241341553 /nfs/dbraw/zinc/34/15/53/241341553.db2.gz HGQQMBODEQHCBM-UHFFFAOYSA-N 0 0 348.406 2.288 50 70 EEIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000218341105 276296922 /nfs/dbraw/zinc/29/69/22/276296922.db2.gz IYXPRIPDLPMJOI-SECBINFHSA-N 0 0 349.289 2.271 50 70 EEIARN COC(=O)CS[C@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000217555974 241259498 /nfs/dbraw/zinc/25/94/98/241259498.db2.gz JZOICJBYNYQZCD-ZDUSSCGKSA-N 0 0 343.832 2.226 50 70 EEIARN O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ccc2c(c1)CCO2 ZINC000218107100 241297737 /nfs/dbraw/zinc/29/77/37/241297737.db2.gz RPUKLGBJOZRZEI-SJLPKXTDSA-N 0 0 331.412 2.326 50 70 EEIARN Cn1cc([C@H](NC(=O)C(C)(C)c2ccccc2)C2CC(O)C2)cn1 ZINC000218749427 241343590 /nfs/dbraw/zinc/34/35/90/241343590.db2.gz VGTIKPCBCALBPL-QWFMPGPPSA-N 0 0 327.428 2.326 50 70 EEIARN COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc(OC)c1OC ZINC000217971437 286248031 /nfs/dbraw/zinc/24/80/31/286248031.db2.gz GTNMUYIPBYGMOJ-LLVKDONJSA-N 0 0 346.335 2.415 50 70 biogenic EEIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccncc1 ZINC000218294001 534764061 /nfs/dbraw/zinc/76/40/61/534764061.db2.gz SIDKUVKCTYBKLG-UHFFFAOYSA-N 0 0 336.395 2.354 50 70 EEIARN COc1cccc2c(O)c(C(=O)Nc3nnc(C(C)C)[nH]3)cnc12 ZINC000218373985 536933996 /nfs/dbraw/zinc/93/39/96/536933996.db2.gz FHMWFSLPCHBPOQ-UHFFFAOYSA-N 0 0 327.344 2.443 50 70 EEIARN O=C(Cc1c(F)ccc(F)c1F)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000217199123 241241663 /nfs/dbraw/zinc/24/16/63/241241663.db2.gz KWFCLABVUCHLMU-LLVKDONJSA-N 0 0 343.345 2.491 50 70 EEIARN CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NCc1c(C)n[nH]c1C ZINC000217553536 241257258 /nfs/dbraw/zinc/25/72/58/241257258.db2.gz WBDXMWJZYKDXOR-CABCVRRESA-N 0 0 332.448 2.141 50 70 EEIARN COc1cc(Cl)ccc1C(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 ZINC000218512494 241327906 /nfs/dbraw/zinc/32/79/06/241327906.db2.gz NFSNCSWNGMXBKZ-YYXKQKMLSA-N 0 0 349.818 2.324 50 70 EEIARN CSCC(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000218524907 241328687 /nfs/dbraw/zinc/32/86/87/241328687.db2.gz HVYCJYRBTRTICJ-KRWDZBQOSA-N 0 0 331.441 2.060 50 70 EEIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)C(C)C)cc1Cl ZINC000218317700 241314905 /nfs/dbraw/zinc/31/49/05/241314905.db2.gz PFVBYLSUZIBZGH-CYBMUJFWSA-N 0 0 337.807 2.485 50 70 EEIARN OC[C@H](O)c1cc2n(n1)CCCN(Cc1cc3ccccc3o1)C2 ZINC000218767247 241343090 /nfs/dbraw/zinc/34/30/90/241343090.db2.gz MTPDJNOIHSBJSS-KRWDZBQOSA-N 0 0 327.384 2.061 50 70 EEIARN O=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218297550 464108684 /nfs/dbraw/zinc/10/86/84/464108684.db2.gz AZQPVALNOIXVCW-HZPDHXFCSA-N 0 0 332.425 2.176 50 70 EEIARN CC(C)Oc1cc(N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000218743342 534964585 /nfs/dbraw/zinc/96/45/85/534964585.db2.gz QPKBINLDUADFGX-QEJZJMRPSA-N 0 0 343.431 2.035 50 70 EEIARN O[C@@H](c1cc2n(n1)CCN(Cc1nccs1)C2)c1ccccc1 ZINC000217620308 241263217 /nfs/dbraw/zinc/26/32/17/241263217.db2.gz HJRIPUMSEHCCJW-QGZVFWFLSA-N 0 0 326.425 2.437 50 70 EEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(OC(C)C)cc2)o1 ZINC000217796928 241274552 /nfs/dbraw/zinc/27/45/52/241274552.db2.gz VYGIVFBAUWYOQQ-CQSZACIVSA-N 0 0 331.368 2.448 50 70 biogenic EEIARN O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1[nH]nc2ccccc21 ZINC000218058212 241293654 /nfs/dbraw/zinc/29/36/54/241293654.db2.gz LXLLOWDNIDCOFB-SUYBPPKGSA-N 0 0 336.395 2.070 50 70 EEIARN Cn1cc([C@@H](NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1 ZINC000218550666 241330149 /nfs/dbraw/zinc/33/01/49/241330149.db2.gz ICDKIENBDMSXFC-CQWGXMFFSA-N 0 0 337.782 2.455 50 70 EEIARN O=C(COc1cccnc1)N1CCC(OCc2cccnc2)CC1 ZINC000218719637 241340371 /nfs/dbraw/zinc/34/03/71/241340371.db2.gz QBMWTRWGIOGIDL-UHFFFAOYSA-N 0 0 327.384 2.063 50 70 EEIARN CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)OC1(C)C)c1nnc2ccccn21 ZINC000218296940 241312264 /nfs/dbraw/zinc/31/22/64/241312264.db2.gz IBOWSSSYXJUXCC-STQMWFEESA-N 0 0 344.415 2.274 50 70 EEIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1c(C)nn(C)c1C ZINC000218604531 241335222 /nfs/dbraw/zinc/33/52/22/241335222.db2.gz WFYOKHZPCOMETJ-MSOLQXFVSA-N 0 0 349.475 2.226 50 70 EEIARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cn2ccsc2n1 ZINC000218750487 241343329 /nfs/dbraw/zinc/34/33/29/241343329.db2.gz PXKIFCMFUKQLOI-UHIISALHSA-N 0 0 328.397 2.033 50 70 EEIARN O=C(NCc1ccco1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000218474864 241327093 /nfs/dbraw/zinc/32/70/93/241327093.db2.gz LRELUISAQCJGNC-INIZCTEOSA-N 0 0 330.388 2.035 50 70 EEIARN O=C(COc1ccc(F)cc1)NCCn1ccnc1-c1ccccn1 ZINC000217859264 241278718 /nfs/dbraw/zinc/27/87/18/241278718.db2.gz NQFILRGYGVTECA-UHFFFAOYSA-N 0 0 340.358 2.279 50 70 EEIARN Cn1cccc1[C@H](O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000217943244 241286176 /nfs/dbraw/zinc/28/61/76/241286176.db2.gz ZAUOYDZGSDOHSW-CQSZACIVSA-N 0 0 346.811 2.220 50 70 EEIARN O=C(COc1ccc(F)c(Cl)c1)N1CCC(n2cnnc2)CC1 ZINC000217986196 241290075 /nfs/dbraw/zinc/29/00/75/241290075.db2.gz XSDBDHGJXWUZKQ-UHFFFAOYSA-N 0 0 338.770 2.313 50 70 EEIARN Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@H](CO)C(C)C)[nH]n1 ZINC000218350940 241316038 /nfs/dbraw/zinc/31/60/38/241316038.db2.gz JPTGKPNNNQCEDV-OAHLLOKOSA-N 0 0 333.436 2.218 50 70 EEIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc(OC(F)F)c2)o1 ZINC000218379173 241318263 /nfs/dbraw/zinc/31/82/63/241318263.db2.gz ZZPSRGMXUUMZEX-NSHDSACASA-N 0 0 339.294 2.263 50 70 EEIARN Cc1ccc2[nH]c([C@H](C)NC(=O)CSc3nnc(N)s3)nc2c1 ZINC000217965466 241288045 /nfs/dbraw/zinc/28/80/45/241288045.db2.gz KFPJVVZLJWYENH-QMMMGPOBSA-N 0 0 348.457 2.275 50 70 EEIARN Cc1cc(=O)c(O)c(CN2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000218273976 241311519 /nfs/dbraw/zinc/31/15/19/241311519.db2.gz KVTYBJIKWFUWLT-ZDUSSCGKSA-N 0 0 340.383 2.076 50 70 EEIARN Cc1cccn2cc(CNC(=O)CC3=CSC4=NCCCN34)nc12 ZINC000217693785 241266968 /nfs/dbraw/zinc/26/69/68/241266968.db2.gz CMQDBJNGIVEMCA-UHFFFAOYSA-N 0 0 341.440 2.299 50 70 EEIARN O=C(NCc1c[nH]nc1-c1ccccc1)c1cc2c([nH]c1=O)CCC2 ZINC000217670538 241268109 /nfs/dbraw/zinc/26/81/09/241268109.db2.gz HHCRALMTMAHMSE-UHFFFAOYSA-N 0 0 334.379 2.184 50 70 EEIARN O=S(=O)(c1ccccc1Br)N1CCc2oncc2C1 ZINC000217695100 241271281 /nfs/dbraw/zinc/27/12/81/241271281.db2.gz WBRVSNJPVZLPAX-UHFFFAOYSA-N 0 0 343.202 2.184 50 70 EEIARN C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1 ZINC000217541240 241256926 /nfs/dbraw/zinc/25/69/26/241256926.db2.gz GXGTYQSJWGGOEF-DOMZBBRYSA-N 0 0 332.425 2.165 50 70 EEIARN CN1C(=O)C[C@@H](CNC(=O)COCc2ccccc2)c2ccccc21 ZINC000218261647 241310715 /nfs/dbraw/zinc/31/07/15/241310715.db2.gz NECGHPFQCVSQGF-INIZCTEOSA-N 0 0 338.407 2.470 50 70 EEIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCCOCc1ccccc1)C2 ZINC000218757261 241343752 /nfs/dbraw/zinc/34/37/52/241343752.db2.gz UCMQFOJKYWYLTQ-OAHLLOKOSA-N 0 0 343.427 2.276 50 70 EEIARN COc1ccc(C(=O)N2CCC(c3ccnc(N)n3)CC2)cc1C ZINC000217033963 536712813 /nfs/dbraw/zinc/71/28/13/536712813.db2.gz POTWMTUCLPSACP-UHFFFAOYSA-N 0 0 326.400 2.396 50 70 EEIARN O=C(C1=Cc2ccccc2OC=C1)N1CCCn2nc(CO)cc2C1 ZINC000216998178 241231693 /nfs/dbraw/zinc/23/16/93/241231693.db2.gz UWXZJVLLNGCBNH-UHFFFAOYSA-N 0 0 337.379 2.097 50 70 EEIARN CN(C)[C@H](C(=O)NCCc1noc(C2CCC2)n1)c1cccc(F)c1 ZINC000217077493 241236956 /nfs/dbraw/zinc/23/69/56/241236956.db2.gz WDPBLURHZQCTNV-INIZCTEOSA-N 0 0 346.406 2.438 50 70 EEIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](c3nnc(C)[nH]3)C2)c1C ZINC000217186052 241239584 /nfs/dbraw/zinc/23/95/84/241239584.db2.gz INOKZEQVYISEGV-CYBMUJFWSA-N 0 0 329.404 2.280 50 70 EEIARN Cn1c2ccccc2c2cc(CC(=O)NC[C@@H]3COCCO3)ccc21 ZINC000217810660 241277200 /nfs/dbraw/zinc/27/72/00/241277200.db2.gz YEAMGFRJDQHCRE-OAHLLOKOSA-N 0 0 338.407 2.406 50 70 EEIARN O=S(=O)(Cc1ccccc1)NCCn1ccnc1-c1ccccn1 ZINC000217863869 241279105 /nfs/dbraw/zinc/27/91/05/241279105.db2.gz IREILWXWUOFFTL-UHFFFAOYSA-N 0 0 342.424 2.065 50 70 EEIARN O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccccc1F ZINC000217864221 241279846 /nfs/dbraw/zinc/27/98/46/241279846.db2.gz DPEBPZQPRHBYGM-UHFFFAOYSA-N 0 0 346.387 2.063 50 70 EEIARN COCc1nnc(NC(=O)c2cnc3ccc(F)cc3c2O)s1 ZINC000218317279 241314691 /nfs/dbraw/zinc/31/46/91/241314691.db2.gz BGHTWTMLMLOMKQ-UHFFFAOYSA-N 0 0 334.332 2.330 50 70 EEIARN CS(=O)(=O)CCC(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000160625112 463355933 /nfs/dbraw/zinc/35/59/33/463355933.db2.gz ROUHUXZKWXPAGE-UHFFFAOYSA-N 0 0 345.848 2.145 50 70 EEIARN Cc1ncsc1CCNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000217140719 241239056 /nfs/dbraw/zinc/23/90/56/241239056.db2.gz SJDGEPJOBBUSOD-NSHDSACASA-N 0 0 334.397 2.306 50 70 EEIARN O=C(CCCN1CCCCC1=O)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000217515761 241255045 /nfs/dbraw/zinc/25/50/45/241255045.db2.gz XDUKVYAFGIFNSS-UHFFFAOYSA-N 0 0 340.427 2.281 50 70 EEIARN COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)c(C)c1 ZINC000217537135 241257903 /nfs/dbraw/zinc/25/79/03/241257903.db2.gz QNYYUGICMONUTF-AWEZNQCLSA-N 0 0 341.454 2.467 50 70 EEIARN CCc1ccc2occ(CC(=O)N3CCn4nc(CO)cc4C3)c2c1 ZINC000217464003 535839098 /nfs/dbraw/zinc/83/90/98/535839098.db2.gz RGYOFHSUQXVGFL-UHFFFAOYSA-N 0 0 339.395 2.269 50 70 EEIARN COC(=O)CS[C@@H]1CCN(C(=O)c2nc3ccccc3s2)C1 ZINC000217554320 241258655 /nfs/dbraw/zinc/25/86/55/241258655.db2.gz CENHIYASXIIKGY-SNVBAGLBSA-N 0 0 336.438 2.417 50 70 EEIARN Cc1ccc([C@@H](NC(=O)CN2CCOC2=O)c2ccncc2)cc1 ZINC000217028380 241232217 /nfs/dbraw/zinc/23/22/17/241232217.db2.gz BFUIADSBMUTEIB-QGZVFWFLSA-N 0 0 325.368 2.048 50 70 EEIARN C[C@@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1 ZINC000217511096 241254123 /nfs/dbraw/zinc/25/41/23/241254123.db2.gz SIKOQCPWCAJGSW-MRXNPFEDSA-N 0 0 348.449 2.482 50 70 EEIARN CN1C(=O)C[C@H](CNC(=O)COCc2ccccc2)c2ccccc21 ZINC000218261712 536317330 /nfs/dbraw/zinc/31/73/30/536317330.db2.gz NECGHPFQCVSQGF-MRXNPFEDSA-N 0 0 338.407 2.470 50 70 EEIARN COC(=O)CS[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000217565100 241259431 /nfs/dbraw/zinc/25/94/31/241259431.db2.gz PSHNTEQDNOJXTL-ZDUSSCGKSA-N 0 0 332.425 2.218 50 70 EEIARN Cc1nc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)no1 ZINC000217563769 241259785 /nfs/dbraw/zinc/25/97/85/241259785.db2.gz FJTDTZMUHKEIHN-GOSISDBHSA-N 0 0 339.399 2.062 50 70 EEIARN CSCc1ccc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)o1 ZINC000217371288 241247438 /nfs/dbraw/zinc/24/74/38/241247438.db2.gz DIROKQGBRBRZFC-AWEZNQCLSA-N 0 0 335.429 2.270 50 70 EEIARN Cc1cc(N)n(CC(=O)N2CCC[C@@H](COc3cccc(C)c3)C2)n1 ZINC000217862212 241279617 /nfs/dbraw/zinc/27/96/17/241279617.db2.gz TURLQDDVSZJFNT-MRXNPFEDSA-N 0 0 342.443 2.400 50 70 EEIARN Cn1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)n1 ZINC000218526691 464109399 /nfs/dbraw/zinc/10/93/99/464109399.db2.gz ZQURLYRBMZBQTJ-XJKSGUPXSA-N 0 0 342.424 2.407 50 70 EEIARN COc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000218269991 537154527 /nfs/dbraw/zinc/15/45/27/537154527.db2.gz LOFQTASTQQIRSL-IAGOWNOFSA-N 0 0 342.395 2.194 50 70 EEIARN O[C@H](c1cc2n(n1)CCN(c1ncnc3[nH]ccc31)C2)c1ccccc1 ZINC000217561564 241259590 /nfs/dbraw/zinc/25/95/90/241259590.db2.gz LCMDYICUHFMSTG-KRWDZBQOSA-N 0 0 346.394 2.256 50 70 EEIARN Cn1cc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c2ccccc21 ZINC000216999182 241228942 /nfs/dbraw/zinc/22/89/42/241228942.db2.gz JVFQWJSVGYMNPY-HNNXBMFYSA-N 0 0 338.411 2.306 50 70 EEIARN OCc1cc2n(n1)CCCN(Cc1nccn1Cc1ccccc1)C2 ZINC000217030250 241233576 /nfs/dbraw/zinc/23/35/76/241233576.db2.gz VOFPKMKCJGCRKH-UHFFFAOYSA-N 0 0 337.427 2.026 50 70 EEIARN Cn1c2ccccc2c2cc(CC(=O)NC[C@H]3COCCO3)ccc21 ZINC000217810742 241277292 /nfs/dbraw/zinc/27/72/92/241277292.db2.gz YEAMGFRJDQHCRE-HNNXBMFYSA-N 0 0 338.407 2.406 50 70 EEIARN O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000217950865 241285540 /nfs/dbraw/zinc/28/55/40/241285540.db2.gz DJNXCNWNEKRRFC-HNNXBMFYSA-N 0 0 325.416 2.425 50 70 EEIARN CC(C)n1c(CCNC(=O)c2ccn3nnnc3c2)nc2ccccc21 ZINC000218277814 241311221 /nfs/dbraw/zinc/31/12/21/241311221.db2.gz DKSRQOFPRCJXAG-UHFFFAOYSA-N 0 0 349.398 2.027 50 70 EEIARN CC[C@H](NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1 ZINC000217163917 241237769 /nfs/dbraw/zinc/23/77/69/241237769.db2.gz SPZFCPSOGHAMOM-KRWDZBQOSA-N 0 0 349.438 2.355 50 70 EEIARN O=C(c1ccco1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217841935 241278300 /nfs/dbraw/zinc/27/83/00/241278300.db2.gz PEYBDBFALPEFKA-LBPRGKRZSA-N 0 0 339.355 2.215 50 70 EEIARN Cc1nn(C)c(C)c1C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217889693 241280751 /nfs/dbraw/zinc/28/07/51/241280751.db2.gz FFSRZLVANSBJCS-UHFFFAOYSA-N 0 0 329.429 2.392 50 70 EEIARN C[C@H](O)c1cc2n(n1)CCCN(Cc1cnc(N3CCCC3)s1)C2 ZINC000217912383 241283624 /nfs/dbraw/zinc/28/36/24/241283624.db2.gz YMNZZSGNPDHDNA-ZDUSSCGKSA-N 0 0 347.488 2.399 50 70 EEIARN O=C(NCCCN1CCOCC1)c1cnc2c(Cl)cccc2c1O ZINC000218293895 241312349 /nfs/dbraw/zinc/31/23/49/241312349.db2.gz PARFMXKDZDMULQ-UHFFFAOYSA-N 0 0 349.818 2.046 50 70 EEIARN CN(C)c1ccc(CN2CCc3nc[nH]c3[C@H]2c2ccncc2)cn1 ZINC000218398336 536147565 /nfs/dbraw/zinc/14/75/65/536147565.db2.gz GPVMWFNDJJVMCQ-LJQANCHMSA-N 0 0 334.427 2.413 50 70 EEIARN CN1CCN(C(=O)CCCN2CCCCC2=O)C[C@H]1c1ccccc1 ZINC000217146294 536401970 /nfs/dbraw/zinc/40/19/70/536401970.db2.gz FRZGXFGFXPUJDH-SFHVURJKSA-N 0 0 343.471 2.294 50 70 EEIARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000217567827 241261690 /nfs/dbraw/zinc/26/16/90/241261690.db2.gz URMDIUZNJJDGBB-JTQLQIEISA-N 0 0 349.861 2.009 50 70 EEIARN O=C(c1c[nH]nc1C1CCCCC1)N1CCCn2nc(CO)cc2C1 ZINC000217728066 241272609 /nfs/dbraw/zinc/27/26/09/241272609.db2.gz NMLNIZBJENCQPY-UHFFFAOYSA-N 0 0 343.431 2.192 50 70 EEIARN O=C(Cc1ccc(F)cc1Cl)N1CCCn2nc(CO)cc2C1 ZINC000217175717 241238511 /nfs/dbraw/zinc/23/85/11/241238511.db2.gz XZAZZKJJDRVUQJ-UHFFFAOYSA-N 0 0 337.782 2.143 50 70 EEIARN CC[C@@H](NC(=O)c1scc2c1OCCO2)c1cn2cccnc2n1 ZINC000217814530 241276206 /nfs/dbraw/zinc/27/62/06/241276206.db2.gz IPZJDQUIPKDRCJ-SNVBAGLBSA-N 0 0 344.396 2.443 50 70 EEIARN CC[C@@H](O)c1cc2n(n1)CCCN(Cc1[nH]cc(C)c(=O)c1C)C2 ZINC000217503880 241254567 /nfs/dbraw/zinc/25/45/67/241254567.db2.gz QMDSKFXPFHMZEU-QGZVFWFLSA-N 0 0 330.432 2.038 50 70 EEIARN O=C(c1ccccc1-c1ccccc1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000218058071 241294150 /nfs/dbraw/zinc/29/41/50/241294150.db2.gz SSBHSOFAELADPJ-UHFFFAOYSA-N 0 0 347.422 2.430 50 70 EEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccc(OC(F)F)c2)o1 ZINC000218379098 241318250 /nfs/dbraw/zinc/31/82/50/241318250.db2.gz ZZPSRGMXUUMZEX-LLVKDONJSA-N 0 0 339.294 2.263 50 70 EEIARN O=C(NCCc1nnc2ccccn21)c1ccccc1-n1cccc1 ZINC000218603750 241335311 /nfs/dbraw/zinc/33/53/11/241335311.db2.gz JSEYCNCBALXIGN-UHFFFAOYSA-N 0 0 331.379 2.493 50 70 EEIARN O=C(CSc1ccccc1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000218103445 464108289 /nfs/dbraw/zinc/10/82/89/464108289.db2.gz UGNLZTPTNSECNW-UHFFFAOYSA-N 0 0 329.425 2.091 50 70 EEIARN CCCc1nc(C)sc1C(=O)N[C@@H](CCSC)C(=O)OC ZINC000217611882 241263632 /nfs/dbraw/zinc/26/36/32/241263632.db2.gz AECXESZURUKMGH-NSHDSACASA-N 0 0 330.475 2.429 50 70 biogenic EEIARN CCc1nc(C)ccc1OCC(=O)N1CCC[C@H]1c1nnc(C)[nH]1 ZINC000216994762 241229609 /nfs/dbraw/zinc/22/96/09/241229609.db2.gz CXTFSSZXNFCHAS-AWEZNQCLSA-N 0 0 329.404 2.121 50 70 EEIARN COc1nn(C)cc1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217499982 241252365 /nfs/dbraw/zinc/25/23/65/241252365.db2.gz RXSKLXJBBXHEIL-QGZVFWFLSA-N 0 0 345.424 2.281 50 70 EEIARN Cn1cccc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)c1=O ZINC000217499674 241253525 /nfs/dbraw/zinc/25/35/25/241253525.db2.gz HXLFGYYUHYNALB-SFHVURJKSA-N 0 0 342.420 2.238 50 70 EEIARN CC[C@H](O)c1cc2n(n1)CCCN(Cc1[nH]cc(C)c(=O)c1C)C2 ZINC000217503951 241255825 /nfs/dbraw/zinc/25/58/25/241255825.db2.gz QMDSKFXPFHMZEU-KRWDZBQOSA-N 0 0 330.432 2.038 50 70 EEIARN O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000217950770 241286134 /nfs/dbraw/zinc/28/61/34/241286134.db2.gz DJNXCNWNEKRRFC-OAHLLOKOSA-N 0 0 325.416 2.425 50 70 EEIARN O=C(CCc1cccnc1)NCCc1csc(-c2ncccn2)n1 ZINC000218202471 241306788 /nfs/dbraw/zinc/30/67/88/241306788.db2.gz FPDSDAGQFHSHKJ-UHFFFAOYSA-N 0 0 339.424 2.287 50 70 EEIARN CC(C)NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217855847 279573718 /nfs/dbraw/zinc/57/37/18/279573718.db2.gz HDKLOOYZYTWCBI-SFHVURJKSA-N 0 0 349.390 2.326 50 70 biogenic EEIARN O=C(Cc1c(F)ccc(F)c1F)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217199128 241242934 /nfs/dbraw/zinc/24/29/34/241242934.db2.gz KWFCLABVUCHLMU-NSHDSACASA-N 0 0 343.345 2.491 50 70 EEIARN CSCc1ccc(C(=O)NCCc2noc([C@H]3CCCO3)n2)o1 ZINC000217382306 241246039 /nfs/dbraw/zinc/24/60/39/241246039.db2.gz VCURVBFGACPXQY-GFCCVEGCSA-N 0 0 337.401 2.350 50 70 EEIARN Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@H](O)c1cccn1C ZINC000217948440 241285619 /nfs/dbraw/zinc/28/56/19/241285619.db2.gz JJESSMZOWTUDHP-HNNXBMFYSA-N 0 0 349.818 2.165 50 70 EEIARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCSC1CCOCC1 ZINC000217701936 241270971 /nfs/dbraw/zinc/27/09/71/241270971.db2.gz OOKNPNCGBNLZJK-DUXPYHPUSA-N 0 0 335.425 2.457 50 70 EEIARN O=C(Cc1cccc2ccccc21)N1CC(N2C(=O)CSC2=O)C1 ZINC000217746551 241273184 /nfs/dbraw/zinc/27/31/84/241273184.db2.gz OSHRVWOWOGDAPW-UHFFFAOYSA-N 0 0 340.404 2.289 50 70 EEIARN Cn1cc(C(=O)NCCc2noc([C@H]3CCCO3)n2)c2ccccc21 ZINC000216921888 241223200 /nfs/dbraw/zinc/22/32/00/241223200.db2.gz BNPKPTYRUVZTRL-OAHLLOKOSA-N 0 0 340.383 2.385 50 70 EEIARN CC[C@@H](NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1 ZINC000217163915 241238762 /nfs/dbraw/zinc/23/87/62/241238762.db2.gz SPZFCPSOGHAMOM-QGZVFWFLSA-N 0 0 349.438 2.355 50 70 EEIARN Cn1cccc1[C@@H](O)CCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000217936408 241285993 /nfs/dbraw/zinc/28/59/93/241285993.db2.gz USGIGJOLRPUESF-ZKKXHLJNSA-N 0 0 328.368 2.007 50 70 EEIARN O=C(CC1(n2cccc2)CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000218347104 241315106 /nfs/dbraw/zinc/31/51/06/241315106.db2.gz FQUUKSKWVRZAOS-UHFFFAOYSA-N 0 0 342.395 2.429 50 70 EEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(F)c(Cl)c2)o1 ZINC000218367900 241317875 /nfs/dbraw/zinc/31/78/75/241317875.db2.gz VPZUIRHSYRKUNX-SECBINFHSA-N 0 0 325.723 2.454 50 70 EEIARN Cc1ccnn1CCC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000218609094 241335659 /nfs/dbraw/zinc/33/56/59/241335659.db2.gz YJEHAUIWNLEEEZ-HNNXBMFYSA-N 0 0 338.415 2.031 50 70 EEIARN Cc1cc2cccc(C(=O)N3CCCn4nc(CO)cc4C3)c2o1 ZINC000217823113 241276695 /nfs/dbraw/zinc/27/66/95/241276695.db2.gz HNXLZMZCVJIBAM-UHFFFAOYSA-N 0 0 325.368 2.476 50 70 EEIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@H]1c1ccccn1 ZINC000217423630 241248188 /nfs/dbraw/zinc/24/81/88/241248188.db2.gz VAPUBYMLIFZLKR-INIZCTEOSA-N 0 0 326.400 2.490 50 70 EEIARN O=C(NCCn1ccnc1-c1ccccn1)c1ccc2c(c1)OCO2 ZINC000217858200 241279497 /nfs/dbraw/zinc/27/94/97/241279497.db2.gz TYLGYCYYDCLYKM-UHFFFAOYSA-N 0 0 336.351 2.104 50 70 EEIARN O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ncc(F)cc1F ZINC000218010554 241292257 /nfs/dbraw/zinc/29/22/57/241292257.db2.gz XOOANSVBIHIUGN-NSHDSACASA-N 0 0 331.322 2.143 50 70 EEIARN Cc1cc(C)nc(NCC(=O)N2CCO[C@@H](c3ccccc3)C2)n1 ZINC000218205888 241305498 /nfs/dbraw/zinc/30/54/98/241305498.db2.gz MPQVZQMIYOCAFY-MRXNPFEDSA-N 0 0 326.400 2.105 50 70 EEIARN CN(C)c1cccc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000218253854 241309192 /nfs/dbraw/zinc/30/91/92/241309192.db2.gz WVZVWGFOWAPCRW-UHFFFAOYSA-N 0 0 344.459 2.163 50 70 EEIARN CCCc1nnsc1C(=O)NCCn1ccnc1-c1ccccn1 ZINC000217861868 535552100 /nfs/dbraw/zinc/55/21/00/535552100.db2.gz NASYNEGVCVXFMN-UHFFFAOYSA-N 0 0 342.428 2.179 50 70 EEIARN COc1ccc(Cc2nnc3sc(Cc4nc(C)c[nH]4)nn23)cc1 ZINC000218338289 536537462 /nfs/dbraw/zinc/53/74/62/536537462.db2.gz RXOVXAQYTJBISK-UHFFFAOYSA-N 0 0 340.412 2.408 50 70 EEIARN COc1ccccc1C1CCN(C(=O)c2cnc(N)nc2C)CC1 ZINC000218465843 537015722 /nfs/dbraw/zinc/01/57/22/537015722.db2.gz JXZKTTUNNWBZMZ-UHFFFAOYSA-N 0 0 326.400 2.396 50 70 EEIARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccoc1 ZINC000217965678 539657697 /nfs/dbraw/zinc/65/76/97/539657697.db2.gz ZGVSLRLYAKWIAJ-OCCSQVGLSA-N 0 0 333.315 2.254 50 70 EEIARN O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)cc1F ZINC000217542182 241257438 /nfs/dbraw/zinc/25/74/38/241257438.db2.gz WDTZTMNQLHWNIW-CYBMUJFWSA-N 0 0 340.351 2.205 50 70 EEIARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2)n1 ZINC000218495261 241326784 /nfs/dbraw/zinc/32/67/84/241326784.db2.gz YEVBQAOINSDNEK-SQNIBIBYSA-N 0 0 325.412 2.455 50 70 EEIARN CSc1ncc(CN2CCc3nc[nH]c3[C@H]2c2ccncc2)cn1 ZINC000218600554 241333173 /nfs/dbraw/zinc/33/31/73/241333173.db2.gz SOITVRXJQXENTI-MRXNPFEDSA-N 0 0 338.440 2.464 50 70 EEIARN CN(Cc1ccon1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 ZINC000218746740 241344489 /nfs/dbraw/zinc/34/44/89/241344489.db2.gz NAQPYEAXXHGQKY-UHFFFAOYSA-N 0 0 348.424 2.158 50 70 EEIARN COc1cccc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)c1C ZINC000218447939 537081549 /nfs/dbraw/zinc/08/15/49/537081549.db2.gz HPMWBBOEVHYEOF-ZDUSSCGKSA-N 0 0 329.400 2.300 50 70 EEIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000217567734 241260729 /nfs/dbraw/zinc/26/07/29/241260729.db2.gz URMDIUZNJJDGBB-SNVBAGLBSA-N 0 0 349.861 2.009 50 70 EEIARN O=C(c1scc2c1OCCO2)N1CCC[C@H](c2ccncn2)C1 ZINC000217653741 241264749 /nfs/dbraw/zinc/26/47/49/241264749.db2.gz OAWRYVBWKYLHBP-NSHDSACASA-N 0 0 331.397 2.329 50 70 EEIARN CN1C[C@@]2(CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)OC1=O ZINC000217381855 241247350 /nfs/dbraw/zinc/24/73/50/241247350.db2.gz VZMJGLHYKMTDDY-LJQANCHMSA-N 0 0 343.427 2.344 50 70 EEIARN C[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccsc1)c1ccccc1 ZINC000217541161 241257833 /nfs/dbraw/zinc/25/78/33/241257833.db2.gz GXGTYQSJWGGOEF-WFASDCNBSA-N 0 0 332.425 2.165 50 70 EEIARN O=C(Cn1ncc2ccccc21)NCCc1noc(C2CCCC2)n1 ZINC000217963392 241288643 /nfs/dbraw/zinc/28/86/43/241288643.db2.gz FULKZNJOOYGNLK-UHFFFAOYSA-N 0 0 339.399 2.436 50 70 EEIARN CSc1ncc(CN2CCc3nc[nH]c3[C@@H]2c2ccncc2)cn1 ZINC000218600475 277536244 /nfs/dbraw/zinc/53/62/44/277536244.db2.gz SOITVRXJQXENTI-INIZCTEOSA-N 0 0 338.440 2.464 50 70 EEIARN COC(=O)N1CCCC[C@@H]1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000218588324 536417129 /nfs/dbraw/zinc/41/71/29/536417129.db2.gz IZECSIQOJRWQAS-OAHLLOKOSA-N 0 0 344.415 2.233 50 70 EEIARN Cc1nccc(C2CCN(C(=O)CN(C)Cc3ccccn3)CC2)n1 ZINC000217778599 241275194 /nfs/dbraw/zinc/27/51/94/241275194.db2.gz LESIELSXIMIRBX-UHFFFAOYSA-N 0 0 339.443 2.018 50 70 EEIARN NC(=O)c1cc2c(nc1C[C@@H]1CC(=O)N(c3ccccc3)C1)CCC2 ZINC000218443498 241321487 /nfs/dbraw/zinc/32/14/87/241321487.db2.gz BBHAFNCESCCWEC-CYBMUJFWSA-N 0 0 335.407 2.265 50 70 EEIARN O=C(CCCn1ccnc1)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12 ZINC000218448607 241324579 /nfs/dbraw/zinc/32/45/79/241324579.db2.gz HZDIBQGKYMWVPK-HNJRGHQBSA-N 0 0 339.439 2.426 50 70 EEIARN Cc1nn(C)c(C)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217995581 241289304 /nfs/dbraw/zinc/28/93/04/241289304.db2.gz ULOCFZKLKQYEQL-GOSISDBHSA-N 0 0 327.384 2.421 50 70 EEIARN O=C(COC[C@@H]1CCCCO1)NCCCc1nc2ccccc2[nH]1 ZINC000218042839 241293993 /nfs/dbraw/zinc/29/39/93/241293993.db2.gz IMZNVXYBPNWSPU-AWEZNQCLSA-N 0 0 331.416 2.197 50 70 EEIARN CC(C)CNc1c(=O)c(=O)c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000218325061 535171707 /nfs/dbraw/zinc/17/17/07/535171707.db2.gz UXSVIBHBMJCNJY-UHFFFAOYSA-N 0 0 347.846 2.331 50 70 EEIARN CCOc1ccc(-c2ccc(CN3CCN(C)[C@@H](CO)C3)o2)cc1 ZINC000217600361 535692931 /nfs/dbraw/zinc/69/29/31/535692931.db2.gz CRXYFIFGPSUCCO-MRXNPFEDSA-N 0 0 330.428 2.454 50 70 EEIARN Cn1c(CNC(=O)COCC(F)(F)C(F)F)nc2ccccc21 ZINC000217513980 241253960 /nfs/dbraw/zinc/25/39/60/241253960.db2.gz ZGIOQGJICGRMOZ-UHFFFAOYSA-N 0 0 333.285 2.107 50 70 EEIARN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-n2cccc2)ccc1Cl ZINC000218497876 241326742 /nfs/dbraw/zinc/32/67/42/241326742.db2.gz GZFQQUBFKYWVMU-NSHDSACASA-N 0 0 338.816 2.048 50 70 EEIARN Cc1cn2cccc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2n1 ZINC000218306229 241312835 /nfs/dbraw/zinc/31/28/35/241312835.db2.gz OLIUXMKZCOEJMW-ZQIUZPCESA-N 0 0 336.395 2.280 50 70 EEIARN COC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccnn1C ZINC000218776739 241346629 /nfs/dbraw/zinc/34/66/29/241346629.db2.gz YGJBZYOMFXAFIU-MRXNPFEDSA-N 0 0 326.400 2.338 50 70 EEIARN O=S(=O)(Cc1ccccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218241392 464109145 /nfs/dbraw/zinc/10/91/45/464109145.db2.gz CYRCVGKUCHUPDC-UHFFFAOYSA-N 0 0 335.429 2.252 50 70 EEIARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000217567636 241261408 /nfs/dbraw/zinc/26/14/08/241261408.db2.gz UNPLYHTZAFGQTM-NSHDSACASA-N 0 0 349.861 2.009 50 70 EEIARN CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217816566 241276839 /nfs/dbraw/zinc/27/68/39/241276839.db2.gz XJXIOFKDIPYFOZ-GFCCVEGCSA-N 0 0 335.404 2.070 50 70 EEIARN O=C(N[C@H]1COC2(CCCC2)C1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000218642863 241337201 /nfs/dbraw/zinc/33/72/01/241337201.db2.gz FSVZYSDZLZHUOZ-GFCCVEGCSA-N 0 0 330.359 2.499 50 70 EEIARN Cc1cc2c(c(=O)o1)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000217993868 539657701 /nfs/dbraw/zinc/65/77/01/539657701.db2.gz NRUSOOXEFVSQMM-CYBMUJFWSA-N 0 0 349.342 2.260 50 70 biogenic EEIARN CCc1nc(C)ccc1OCC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000217216108 241241099 /nfs/dbraw/zinc/24/10/99/241241099.db2.gz VVVMBZUXYAXZLN-UHFFFAOYSA-N 0 0 328.416 2.461 50 70 EEIARN Cc1nc(CN2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)c[nH]1 ZINC000218147733 241302535 /nfs/dbraw/zinc/30/25/35/241302535.db2.gz MLOXBOTXWKPEIJ-LJQANCHMSA-N 0 0 337.427 2.207 50 70 EEIARN CSCc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)o1 ZINC000218230787 241307202 /nfs/dbraw/zinc/30/72/02/241307202.db2.gz MFBWXYLSRLEVEK-QHAMSDLMSA-N 0 0 335.429 2.118 50 70 EEIARN Cn1cc([C@@H](NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1 ZINC000218682460 241339636 /nfs/dbraw/zinc/33/96/36/241339636.db2.gz JPZNHUMFPRMTNH-QOJXUVEWSA-N 0 0 333.819 2.244 50 70 EEIARN O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1[nH]nc2ccccc21 ZINC000217424422 241249268 /nfs/dbraw/zinc/24/92/68/241249268.db2.gz GVLWNZNEVPTYLE-GFCCVEGCSA-N 0 0 326.400 2.084 50 70 EEIARN O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1[nH]nc2ccccc21 ZINC000218058146 241293767 /nfs/dbraw/zinc/29/37/67/241293767.db2.gz LXLLOWDNIDCOFB-JDFRZJQESA-N 0 0 336.395 2.070 50 70 EEIARN O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(-n2ccnc2)cc1 ZINC000218198387 241305609 /nfs/dbraw/zinc/30/56/09/241305609.db2.gz VSQUCPTUAYPETP-MSOLQXFVSA-N 0 0 341.411 2.186 50 70 EEIARN COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c2ccccc12 ZINC000218230643 241308832 /nfs/dbraw/zinc/30/88/32/241308832.db2.gz JEYBCFLKZSEGTG-CQSZACIVSA-N 0 0 325.368 2.181 50 70 EEIARN Cc1cc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)nc(C)n1 ZINC000218289686 241313194 /nfs/dbraw/zinc/31/31/94/241313194.db2.gz OFAPIJPRDVSZST-NBMJBFSESA-N 0 0 337.423 2.469 50 70 EEIARN Nc1nc2c(c(C(=O)NCc3nc4c(s3)CCCC4)n1)CCCC2 ZINC000218611164 241333820 /nfs/dbraw/zinc/33/38/20/241333820.db2.gz FRNZRKNUVBSFFN-UHFFFAOYSA-N 0 0 343.456 2.203 50 70 EEIARN O=C(Cn1cnc2ccccc21)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000218754765 241344328 /nfs/dbraw/zinc/34/43/28/241344328.db2.gz QKOGIIDQFWXSTC-NJSLBKSFSA-N 0 0 336.395 2.060 50 70 EEIARN Cn1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)n1 ZINC000218526525 302955600 /nfs/dbraw/zinc/95/56/00/302955600.db2.gz ZQURLYRBMZBQTJ-BBRMVZONSA-N 0 0 342.424 2.407 50 70 EEIARN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000218407421 241319834 /nfs/dbraw/zinc/31/98/34/241319834.db2.gz QCJGWJZOPUNKHT-UHFFFAOYSA-N 0 0 333.407 2.165 50 70 EEIARN O=C(COC[C@H]1CCCCO1)NCCCc1nc2ccccc2[nH]1 ZINC000218042911 241294117 /nfs/dbraw/zinc/29/41/17/241294117.db2.gz IMZNVXYBPNWSPU-CQSZACIVSA-N 0 0 331.416 2.197 50 70 EEIARN CCN(C)c1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)ncn1 ZINC000216720347 241206480 /nfs/dbraw/zinc/20/64/80/241206480.db2.gz ZIVUQWANBVMKEN-LJQANCHMSA-N 0 0 343.475 2.304 50 70 EEIARN Cc1nccn1-c1ccc(CNC(=O)c2c[nH]c(=O)c(Cl)c2)cc1 ZINC000216934125 241225607 /nfs/dbraw/zinc/22/56/07/241225607.db2.gz AZTWLMDAGPTPMF-UHFFFAOYSA-N 0 0 342.786 2.452 50 70 EEIARN Cc1nccn1-c1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cc1 ZINC000217017874 241229061 /nfs/dbraw/zinc/22/90/61/241229061.db2.gz BBUJHFWNNJADFQ-UHFFFAOYSA-N 0 0 332.367 2.382 50 70 EEIARN O=C(C[C@H](Cc1ccccc1)c1ccco1)N1CCNC(=O)CC1 ZINC000217368727 241247465 /nfs/dbraw/zinc/24/74/65/241247465.db2.gz WDDPGSHJGGWZND-INIZCTEOSA-N 0 0 326.396 2.345 50 70 EEIARN O=C(COC[C@H]1CCCCO1)NCc1ccccc1-n1ccnc1 ZINC000218377918 241318348 /nfs/dbraw/zinc/31/83/48/241318348.db2.gz QSGHCFLDMVBBII-MRXNPFEDSA-N 0 0 329.400 2.074 50 70 EEIARN O=C(c1ccc([O-])c(Cl)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000218780488 241345536 /nfs/dbraw/zinc/34/55/36/241345536.db2.gz OGZKRWPVPGHXAY-UHFFFAOYSA-N 0 0 338.835 2.109 50 70 EEIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1c(C)nn(C)c1C ZINC000218266036 241311237 /nfs/dbraw/zinc/31/12/37/241311237.db2.gz WDYNQXFGLVZLAD-QZTJIDSGSA-N 0 0 349.475 2.226 50 70 EEIARN COc1cc(OC)cc(-c2nnc3sc(Cn4ccnc4)nn32)c1 ZINC000218368758 241317005 /nfs/dbraw/zinc/31/70/05/241317005.db2.gz UBNKMJFQKISDGA-UHFFFAOYSA-N 0 0 342.384 2.115 50 70 EEIARN Cc1ccccc1-n1cc(CNC(=O)Cn2nc3ccccc3n2)cn1 ZINC000218735311 241340990 /nfs/dbraw/zinc/34/09/90/241340990.db2.gz FSQQTHOZDPYXKN-UHFFFAOYSA-N 0 0 346.394 2.242 50 70 EEIARN O=C(COCC(F)(F)C(F)F)NCc1nc2cc(F)ccc2[nH]1 ZINC000217763743 241273607 /nfs/dbraw/zinc/27/36/07/241273607.db2.gz VDYGDWGALMAVOF-UHFFFAOYSA-N 0 0 337.248 2.235 50 70 EEIARN CCc1nc(C)c(CC(=O)N2CCc3c(Cl)cccc3C2)c(=O)[nH]1 ZINC000216933095 241225003 /nfs/dbraw/zinc/22/50/03/241225003.db2.gz LUZHXQRGGPXJSM-UHFFFAOYSA-N 0 0 345.830 2.422 50 70 EEIARN Cc1cc2cc(C(=O)N3CCCn4nc(CO)cc4C3)ccc2o1 ZINC000217176031 241238647 /nfs/dbraw/zinc/23/86/47/241238647.db2.gz IODCAQHBOBPOLJ-UHFFFAOYSA-N 0 0 325.368 2.476 50 70 EEIARN O=C(c1ccc(-c2ccco2)cc1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000217479435 241252331 /nfs/dbraw/zinc/25/23/31/241252331.db2.gz GTRBWNDLDYZZJD-UHFFFAOYSA-N 0 0 337.383 2.023 50 70 EEIARN COc1cc2cc(C(=O)N[C@H](CO)CCSC)[nH]c2cc1OC ZINC000217819641 241277660 /nfs/dbraw/zinc/27/76/60/241277660.db2.gz ZDQNGIHGVHOXLI-NSHDSACASA-N 0 0 338.429 2.029 50 70 biogenic EEIARN COC(=O)CS[C@H]1CCN(C(=O)c2nc3ccccc3s2)C1 ZINC000217554394 241259724 /nfs/dbraw/zinc/25/97/24/241259724.db2.gz CENHIYASXIIKGY-JTQLQIEISA-N 0 0 336.438 2.417 50 70 EEIARN C[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)/C=C/c1ccccc1)C2 ZINC000217090797 241236377 /nfs/dbraw/zinc/23/63/77/241236377.db2.gz YHEIGBPDFDJBEJ-BMGYJQCNSA-N 0 0 347.440 2.143 50 70 EEIARN CCOc1cccc(OCCN2CCCn3nc(CO)cc3C2)c1 ZINC000217206850 241240324 /nfs/dbraw/zinc/24/03/24/241240324.db2.gz CSWZZDUOAJDTEO-UHFFFAOYSA-N 0 0 331.416 2.059 50 70 EEIARN O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1COCC[C@H]1O ZINC000218037409 241291430 /nfs/dbraw/zinc/29/14/30/241291430.db2.gz LZQOBKMKWVWNNB-RTBURBONSA-N 0 0 325.408 2.475 50 70 EEIARN CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)c1cc(CO)ccn1 ZINC000218161424 241302630 /nfs/dbraw/zinc/30/26/30/241302630.db2.gz QVQBHFCBNTUNDZ-UHFFFAOYSA-N 0 0 342.374 2.294 50 70 EEIARN Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 ZINC000218047548 301435940 /nfs/dbraw/zinc/43/59/40/301435940.db2.gz LVWGLEZQWZQPJP-LBPRGKRZSA-N 0 0 337.331 2.241 50 70 biogenic EEIARN O=C(CCSc1ccc2c(c1)OCCO2)N1CCc2n[nH]cc2C1 ZINC000217118406 241236773 /nfs/dbraw/zinc/23/67/73/241236773.db2.gz ARQOZGPBRPFCPQ-UHFFFAOYSA-N 0 0 345.424 2.248 50 70 EEIARN O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1cccc2ccccc21 ZINC000217924373 241283531 /nfs/dbraw/zinc/28/35/31/241283531.db2.gz PZEXWZWZPQKWKK-QGZVFWFLSA-N 0 0 349.452 2.296 50 70 EEIARN O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccsc2)n[nH]1 ZINC000218216878 241305736 /nfs/dbraw/zinc/30/57/36/241305736.db2.gz OVDRRRBWUWHRSU-AWEZNQCLSA-N 0 0 327.409 2.472 50 70 EEIARN Cc1cc(=O)c(O)c(CN2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000218274037 241310896 /nfs/dbraw/zinc/31/08/96/241310896.db2.gz KVTYBJIKWFUWLT-CYBMUJFWSA-N 0 0 340.383 2.076 50 70 EEIARN CO[C@H](CNC(=O)C(=O)NCc1ccco1)c1ccccc1Cl ZINC000218343802 464109359 /nfs/dbraw/zinc/10/93/59/464109359.db2.gz LVBYTYZDUPHJEA-CQSZACIVSA-N 0 0 336.775 2.053 50 70 EEIARN CC(C)Cc1cc(-c2nnc3sc(Cn4ccnc4)nn32)n(C)n1 ZINC000218287498 535332009 /nfs/dbraw/zinc/33/20/09/535332009.db2.gz BXFWAQGWHOVLQV-UHFFFAOYSA-N 0 0 342.432 2.030 50 70 EEIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000217567563 241260552 /nfs/dbraw/zinc/26/05/52/241260552.db2.gz UNPLYHTZAFGQTM-LLVKDONJSA-N 0 0 349.861 2.009 50 70 EEIARN Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3C[C@@H]4OCC[C@H]34)c2)n1 ZINC000217779013 241275527 /nfs/dbraw/zinc/27/55/27/241275527.db2.gz PCFFZDBBSLYVHD-KURKYZTESA-N 0 0 325.412 2.455 50 70 EEIARN CC[C@H](NC(=O)c1scc2c1OCCO2)c1cn2cccnc2n1 ZINC000217814612 241276156 /nfs/dbraw/zinc/27/61/56/241276156.db2.gz IPZJDQUIPKDRCJ-JTQLQIEISA-N 0 0 344.396 2.443 50 70 EEIARN Cc1cc2c(cc1C(=O)N(C)CCCc1nccn1C)OCCO2 ZINC000218005947 241290022 /nfs/dbraw/zinc/29/00/22/241290022.db2.gz ZQYDNWMBRAXIOK-UHFFFAOYSA-N 0 0 329.400 2.205 50 70 EEIARN COC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccnn1C ZINC000218776823 241345529 /nfs/dbraw/zinc/34/55/29/241345529.db2.gz YGJBZYOMFXAFIU-INIZCTEOSA-N 0 0 326.400 2.338 50 70 EEIARN CC1(C)Cc2cc(CN3CCCn4nc(CO)cc4C3)ccc2O1 ZINC000217383470 534946898 /nfs/dbraw/zinc/94/68/98/534946898.db2.gz KQLFSWWBRUPCNI-UHFFFAOYSA-N 0 0 327.428 2.495 50 70 EEIARN COC(=O)N1CCCC[C@@H]1C(=O)NCc1nn(C)c2ccc(C)cc12 ZINC000218502201 536417497 /nfs/dbraw/zinc/41/74/97/536417497.db2.gz OLFFOECOWCOIFI-MRXNPFEDSA-N 0 0 344.415 2.119 50 70 EEIARN COc1ccc(OC)c2[nH]c(C(=O)N[C@H](CO)CCSC)cc21 ZINC000217803262 241274319 /nfs/dbraw/zinc/27/43/19/241274319.db2.gz DUEWFXNFAGLNPL-JTQLQIEISA-N 0 0 338.429 2.029 50 70 biogenic EEIARN CC(C)n1c(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)nc2ccccc21 ZINC000217481232 241252473 /nfs/dbraw/zinc/25/24/73/241252473.db2.gz MDVRNMDBGIOUCN-ZDUSSCGKSA-N 0 0 347.440 2.182 50 70 EEIARN Cc1ccn(CCC(=O)NCCCc2nc3ccccc3n2C)n1 ZINC000218017115 241292075 /nfs/dbraw/zinc/29/20/75/241292075.db2.gz VDTGIWLUQJNROZ-UHFFFAOYSA-N 0 0 325.416 2.217 50 70 EEIARN Cc1onc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)c1CO ZINC000218530847 241328283 /nfs/dbraw/zinc/32/82/83/241328283.db2.gz FGWJRFVACZUCJW-NSHDSACASA-N 0 0 326.356 2.152 50 70 EEIARN CC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)cc2)CC1 ZINC000217864751 241279878 /nfs/dbraw/zinc/27/98/78/241279878.db2.gz QTXVOGWXSYYYGR-UHFFFAOYSA-N 0 0 342.443 2.016 50 70 EEIARN COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)OC3(C)C)c2c1 ZINC000218084678 241295153 /nfs/dbraw/zinc/29/51/53/241295153.db2.gz OFXLESFQAKHEOU-CQSZACIVSA-N 0 0 330.384 2.177 50 70 biogenic EEIARN CCc1nnc(CN(C)C(=O)[C@@H]2Cc3ccccc3CN2CC)o1 ZINC000218280601 241310242 /nfs/dbraw/zinc/31/02/42/241310242.db2.gz PEZWRXHLRAVYAU-HNNXBMFYSA-N 0 0 328.416 2.037 50 70 EEIARN COc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1-n1cccn1 ZINC000218263297 241310261 /nfs/dbraw/zinc/31/02/61/241310261.db2.gz QEAXIZXHIHFRLJ-MRXNPFEDSA-N 0 0 337.379 2.344 50 70 EEIARN O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1ccncc1F ZINC000218682823 241339818 /nfs/dbraw/zinc/33/98/18/241339818.db2.gz QWWYTOVLHWONLI-INIZCTEOSA-N 0 0 325.347 2.374 50 70 EEIARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1C ZINC000218728831 241340912 /nfs/dbraw/zinc/34/09/12/241340912.db2.gz RFDSCOXXELJAMG-HUUCEWRRSA-N 0 0 341.473 2.029 50 70 EEIARN COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc2c1OCCO2 ZINC000218112733 286247981 /nfs/dbraw/zinc/24/79/81/286247981.db2.gz WNFMRUMTJUIWLL-LLVKDONJSA-N 0 0 344.319 2.169 50 70 biogenic EEIARN O=C(CCN1CCCCCC1=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000217448826 241251232 /nfs/dbraw/zinc/25/12/32/241251232.db2.gz KLMAVQKVSMJITD-UHFFFAOYSA-N 0 0 332.379 2.111 50 70 EEIARN C[C@@H](NC(=O)C(=O)NCC[C@@H](O)c1ccsc1)c1ccccc1 ZINC000217541420 241256428 /nfs/dbraw/zinc/25/64/28/241256428.db2.gz GXGTYQSJWGGOEF-IUODEOHRSA-N 0 0 332.425 2.165 50 70 EEIARN CCS(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217881765 241280778 /nfs/dbraw/zinc/28/07/78/241280778.db2.gz OZZOZHYQUSSTCM-UHFFFAOYSA-N 0 0 325.459 2.428 50 70 EEIARN Cc1c(Cl)cccc1NC(=O)C(=O)NCC[C@@H](O)c1cccn1C ZINC000217948518 241286189 /nfs/dbraw/zinc/28/61/89/241286189.db2.gz JJESSMZOWTUDHP-OAHLLOKOSA-N 0 0 349.818 2.165 50 70 EEIARN CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)no1 ZINC000218083993 535368258 /nfs/dbraw/zinc/36/82/58/535368258.db2.gz LVTMLVJMJXXOQA-RHSMWYFYSA-N 0 0 345.399 2.297 50 70 EEIARN COC(=O)CS[C@H]1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000217562682 241258492 /nfs/dbraw/zinc/25/84/92/241258492.db2.gz GKEMSRNSXRZGOE-ZDUSSCGKSA-N 0 0 345.424 2.197 50 70 EEIARN CS(=O)(=O)Cc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1 ZINC000218177544 241303252 /nfs/dbraw/zinc/30/32/52/241303252.db2.gz XNGICYWGOWWHOM-HNNXBMFYSA-N 0 0 344.436 2.222 50 70 EEIARN Cn1cc([C@H](NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1 ZINC000218682537 241338980 /nfs/dbraw/zinc/33/89/80/241338980.db2.gz JPZNHUMFPRMTNH-MWHAMWOXSA-N 0 0 333.819 2.244 50 70 EEIARN COC(=O)CS[C@H]1CCN(C(=O)CSCc2ccccc2)C1 ZINC000217555565 241259032 /nfs/dbraw/zinc/25/90/32/241259032.db2.gz RYUFCHKGQBJHEM-AWEZNQCLSA-N 0 0 339.482 2.427 50 70 EEIARN Cc1nnc([C@H]2CCCN2C(=O)c2cc(CC(C)C)nc(C)n2)[nH]1 ZINC000217601084 241263688 /nfs/dbraw/zinc/26/36/88/241263688.db2.gz CGHHJRZBLDRGNO-OAHLLOKOSA-N 0 0 328.420 2.387 50 70 EEIARN O=C(/C=C/c1ccccc1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 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CC[C@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C1CC(O)C1 ZINC000218277871 535924819 /nfs/dbraw/zinc/92/48/19/535924819.db2.gz MWOKDGSSPLGSQN-ASYNLNLVSA-N 0 0 335.828 2.448 50 70 EEIARN C[Si](C)(C)c1ccc([SiH](c2ccccc2)c2ccccc2)cc1 ZINC000169817100 564076388 /nfs/dbraw/zinc/07/63/88/564076388.db2.gz QFUNMWYCMFHXER-UHFFFAOYSA-N 0 0 332.595 2.480 50 70 EEIARN C[C@@H](Cc1cccnc1)NC(=O)c1cccc(N2CCOCC2)c1 ZINC000216995208 241230318 /nfs/dbraw/zinc/23/03/18/241230318.db2.gz JXKPHYBQXAAAET-HNNXBMFYSA-N 0 0 325.412 2.279 50 70 EEIARN O=C(CC1=CSC2=NCCCN12)N[C@H]1COc2ccccc2C1 ZINC000217182309 241239199 /nfs/dbraw/zinc/23/91/99/241239199.db2.gz MIOHXMXUFVWZDD-CYBMUJFWSA-N 0 0 329.425 2.146 50 70 EEIARN CN(C)c1ccc(CC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000217503656 241255604 /nfs/dbraw/zinc/25/56/04/241255604.db2.gz ARAIXOCEQOHHIE-MRXNPFEDSA-N 0 0 332.444 2.140 50 70 EEIARN O=C(CCCOc1ccccc1)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000218007467 241289734 /nfs/dbraw/zinc/28/97/34/241289734.db2.gz HJXBGUAVSIQSMT-MRXNPFEDSA-N 0 0 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COc1cn(CC(=O)Nc2ccc(C(F)(F)F)nc2)c(C)cc1=O ZINC000218268618 241309817 /nfs/dbraw/zinc/30/98/17/241309817.db2.gz ZMDLFERFMATCOE-UHFFFAOYSA-N 0 0 341.289 2.218 50 70 EEIARN COc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c(C)cc1=O ZINC000218383878 241317058 /nfs/dbraw/zinc/31/70/58/241317058.db2.gz QCZVZOLYVSAUAS-UHFFFAOYSA-N 0 0 326.274 2.221 50 70 EEIARN CN(C)c1ccc(CN2CCc3nc[nH]c3[C@@H]2c2ccncc2)cn1 ZINC000218398253 464108426 /nfs/dbraw/zinc/10/84/26/464108426.db2.gz GPVMWFNDJJVMCQ-IBGZPJMESA-N 0 0 334.427 2.413 50 70 EEIARN O=C(CC1=CSC2=NCCCN12)N[C@@H]1COc2ccccc2C1 ZINC000217182303 241238076 /nfs/dbraw/zinc/23/80/76/241238076.db2.gz MIOHXMXUFVWZDD-ZDUSSCGKSA-N 0 0 329.425 2.146 50 70 EEIARN Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000217940427 241286062 /nfs/dbraw/zinc/28/60/62/241286062.db2.gz UMANGHOQURIAIZ-LBPRGKRZSA-N 0 0 327.306 2.292 50 70 EEIARN C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1)c1cc2ccccc2o1 ZINC000218002176 241290442 /nfs/dbraw/zinc/29/04/42/241290442.db2.gz LREKKHGMJQNROF-LJQANCHMSA-N 0 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Cc1ccn(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)n1 ZINC000218509363 241329390 /nfs/dbraw/zinc/32/93/90/241329390.db2.gz GQVWDZDRROLBFD-SJORKVTESA-N 0 0 347.390 2.073 50 70 EEIARN COc1ccc(-n2ncc(C(=O)N[C@H](CO)CCSC)c2C)cc1 ZINC000218194631 241306570 /nfs/dbraw/zinc/30/65/70/241306570.db2.gz APAATUHXTLNESV-ZDUSSCGKSA-N 0 0 349.456 2.033 50 70 EEIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(F)c(F)c1 ZINC000218341181 279630334 /nfs/dbraw/zinc/63/03/34/279630334.db2.gz IYXPRIPDLPMJOI-VIFPVBQESA-N 0 0 349.289 2.271 50 70 EEIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 ZINC000218382059 535651429 /nfs/dbraw/zinc/65/14/29/535651429.db2.gz NCOJNULHMJAGIW-BDJLRTHQSA-N 0 0 347.415 2.231 50 70 EEIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(OC(C)C)cc2)o1 ZINC000217797010 241274886 /nfs/dbraw/zinc/27/48/86/241274886.db2.gz VYGIVFBAUWYOQQ-AWEZNQCLSA-N 0 0 331.368 2.448 50 70 biogenic EEIARN O=C(CC1=CSC2=NCCCN12)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000217838469 241277735 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O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1[nH]nc2ccccc21 ZINC000217424340 241248894 /nfs/dbraw/zinc/24/88/94/241248894.db2.gz GVLWNZNEVPTYLE-LBPRGKRZSA-N 0 0 326.400 2.084 50 70 EEIARN Cn1cccc1[C@H](O)CCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000217940342 241286034 /nfs/dbraw/zinc/28/60/34/241286034.db2.gz UMANGHOQURIAIZ-GFCCVEGCSA-N 0 0 327.306 2.292 50 70 EEIARN O=C(C=Cc1ccco1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000217979539 241287867 /nfs/dbraw/zinc/28/78/67/241287867.db2.gz VKNKSZRCFRTJOP-HVHJFMEUSA-N 0 0 340.335 2.129 50 70 EEIARN CCNc1nc(C)c(C(=O)N[C@@H](C)c2cn3ncsc3n2)s1 ZINC000218602737 241331975 /nfs/dbraw/zinc/33/19/75/241331975.db2.gz WLTWRKZEQGZSSI-ZETCQYMHSA-N 0 0 336.446 2.479 50 70 EEIARN O=C(c1scc2c1OCCO2)N1CC[C@@](O)(c2ccccc2)C1 ZINC000218714851 241342303 /nfs/dbraw/zinc/34/23/03/241342303.db2.gz DVWAILBHFMOOQA-KRWDZBQOSA-N 0 0 331.393 2.253 50 70 EEIARN Cn1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)n1 ZINC000218526608 302955588 /nfs/dbraw/zinc/95/55/88/302955588.db2.gz 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O=C(c1scc2c1OCCO2)N1CC[C@](O)(c2ccccc2)C1 ZINC000218714944 241341431 /nfs/dbraw/zinc/34/14/31/241341431.db2.gz DVWAILBHFMOOQA-QGZVFWFLSA-N 0 0 331.393 2.253 50 70 EEIARN COc1ccccc1-n1cc([C@@H](C)NC(=O)c2nc(C)c[nH]2)cn1 ZINC000218241876 536978872 /nfs/dbraw/zinc/97/88/72/536978872.db2.gz BTWKMGKPXRCTKY-GFCCVEGCSA-N 0 0 325.372 2.403 50 70 EEIARN CSc1ccccc1C(=O)N1CCC(c2nnc(CO)n2C)CC1 ZINC000217197016 241241177 /nfs/dbraw/zinc/24/11/77/241241177.db2.gz YVXABWDIQMRMCH-UHFFFAOYSA-N 0 0 346.456 2.049 50 70 EEIARN C[C@](O)(CNS(=O)(=O)c1cccnc1)c1cc2ccccc2s1 ZINC000217511164 241254185 /nfs/dbraw/zinc/25/41/85/241254185.db2.gz SIKOQCPWCAJGSW-INIZCTEOSA-N 0 0 348.449 2.482 50 70 EEIARN CN(CC(=O)N1CC(c2nc3ccccc3[nH]2)C1)Cc1cccnc1 ZINC000217945147 241286009 /nfs/dbraw/zinc/28/60/09/241286009.db2.gz GUUHEVLGSVDJGT-UHFFFAOYSA-N 0 0 335.411 2.016 50 70 EEIARN Cc1cc(C)n(CC(=O)N(C)Cc2ccc3ncccc3c2)c(=O)n1 ZINC000218003143 241290311 /nfs/dbraw/zinc/29/03/11/241290311.db2.gz FALTWIXECZNOMX-UHFFFAOYSA-N 0 0 336.395 2.067 50 70 EEIARN CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)Cn1nc2ccccc2n1 ZINC000218117907 241298665 /nfs/dbraw/zinc/29/86/65/241298665.db2.gz GLQPGTXCHQUTOS-UHFFFAOYSA-N 0 0 338.346 2.105 50 70 EEIARN Cc1cccc([C@H](C(=O)N2CCC3(CCC(=O)NC3)CC2)N(C)C)c1 ZINC000217666376 302027944 /nfs/dbraw/zinc/02/79/44/302027944.db2.gz HLOHPWHKCXRZMJ-GOSISDBHSA-N 0 0 343.471 2.117 50 70 EEIARN O=C(N[C@H](CCn1cncn1)c1ccccc1)c1ccc2n[nH]nc2c1 ZINC000217805367 241274166 /nfs/dbraw/zinc/27/41/66/241274166.db2.gz VXJKIRSZFMSWOT-OAHLLOKOSA-N 0 0 347.382 2.111 50 70 EEIARN O=C(N[C@@H]1COCC[C@H]1O)c1ccccc1OCCc1ccccc1 ZINC000218438615 241322504 /nfs/dbraw/zinc/32/25/04/241322504.db2.gz PEGXPFOXMXQLBO-QZTJIDSGSA-N 0 0 341.407 2.188 50 70 EEIARN Cn1nc(CN2CCCn3nc(CO)cc3C2)c2c1cccc2Cl ZINC000217926116 241284272 /nfs/dbraw/zinc/28/42/72/241284272.db2.gz FMOJQLOPSXDNAN-UHFFFAOYSA-N 0 0 345.834 2.321 50 70 EEIARN O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1ncc(F)cc1F ZINC000218010642 241292724 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O=S(=O)(NCCSC1CCOCC1)c1ccc(F)c(F)c1 ZINC000217709915 241269481 /nfs/dbraw/zinc/26/94/81/241269481.db2.gz CDQQTLBFZQWYHB-UHFFFAOYSA-N 0 0 337.413 2.155 50 70 EEIARN CCS(=O)(=O)Nc1ccc(C(=O)NC2Cc3ccccc3C2)cc1 ZINC000217039791 241232263 /nfs/dbraw/zinc/23/22/63/241232263.db2.gz ATZLAFYPFMHYFU-UHFFFAOYSA-N 0 0 344.436 2.345 50 70 EEIARN COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000217924124 241282451 /nfs/dbraw/zinc/28/24/51/241282451.db2.gz NDYRQAYUKYVNMK-NFAWXSAZSA-N 0 0 325.430 2.274 50 70 EEIARN COc1ncccc1C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217587127 295462224 /nfs/dbraw/zinc/46/22/24/295462224.db2.gz SJUAAWZVMUFRGG-LJQANCHMSA-N 0 0 338.363 2.392 50 70 EEIARN Cc1cnc2c(C(=O)N[C@H]3[C@@H](C4CCCC4)[C@H]4OCC[C@@H]34)cnn2c1 ZINC000218057151 302374271 /nfs/dbraw/zinc/37/42/71/302374271.db2.gz GDSJAPWYXABWMI-SVGFKBNWSA-N 0 0 340.427 2.361 50 70 EEIARN COC(=O)N1CCCC[C@@H]1C(=O)NCc1nncn1C1CCCCC1 ZINC000218446479 291184428 /nfs/dbraw/zinc/18/44/28/291184428.db2.gz 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ZINC000217772357 241274812 /nfs/dbraw/zinc/27/48/12/241274812.db2.gz UWIXWJHRCMSXBL-UHFFFAOYSA-N 0 0 332.713 2.463 50 70 EEIARN CCc1nc(C)c(CNC(=O)Cn2nc(C)c(C(C)=O)c2C)s1 ZINC000218033840 241291935 /nfs/dbraw/zinc/29/19/35/241291935.db2.gz YLFAIQZSKYIHLP-UHFFFAOYSA-N 0 0 334.445 2.346 50 70 EEIARN O=C(CCNc1ncccn1)NCCn1ccc2ccc(F)cc21 ZINC000218252651 241308668 /nfs/dbraw/zinc/30/86/68/241308668.db2.gz TXHDSLJCSJVMHY-UHFFFAOYSA-N 0 0 327.363 2.189 50 70 EEIARN COc1cncc([C@@H](NC(=O)Cc2csc(C)n2)[C@H]2C[C@H](O)C2)c1 ZINC000218640887 241336521 /nfs/dbraw/zinc/33/65/21/241336521.db2.gz RHYJSQDIPIWOLE-KHIZAZIESA-N 0 0 347.440 2.026 50 70 EEIARN COc1ccc2c(c1)C[C@H](C(=O)NCc1csc(N(C)C)n1)CO2 ZINC000218608551 536989398 /nfs/dbraw/zinc/98/93/98/536989398.db2.gz LPZYLAFQRGGBHQ-LBPRGKRZSA-N 0 0 347.440 2.085 50 70 EEIARN Cc1nc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)no1 ZINC000217563686 241259323 /nfs/dbraw/zinc/25/93/23/241259323.db2.gz FJTDTZMUHKEIHN-SFHVURJKSA-N 0 0 339.399 2.062 50 70 EEIARN CCC[C@@H](Nc1ncnc2ccccc21)C(=O)NCc1cnn(C)c1 ZINC000217807457 241274981 /nfs/dbraw/zinc/27/49/81/241274981.db2.gz WRYZALJPJCKAEJ-MRXNPFEDSA-N 0 0 338.415 2.260 50 70 EEIARN O=C(COc1ncnc2ccccc21)N1CCC[C@@H](c2ccncn2)C1 ZINC000217147730 241239067 /nfs/dbraw/zinc/23/90/67/241239067.db2.gz RCBRCOLUGACXBS-CQSZACIVSA-N 0 0 349.394 2.205 50 70 EEIARN O=C(c1ccco1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217841874 241279292 /nfs/dbraw/zinc/27/92/92/241279292.db2.gz PEYBDBFALPEFKA-GFCCVEGCSA-N 0 0 339.355 2.215 50 70 EEIARN COCc1nc(CNC(=O)c2cc(C(F)(F)F)ccc2C)no1 ZINC000218087280 241295344 /nfs/dbraw/zinc/29/53/44/241295344.db2.gz SJGRKVXQWNSFPU-UHFFFAOYSA-N 0 0 329.278 2.473 50 70 EEIARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)OC3(C)C)c2c1 ZINC000218084598 241295559 /nfs/dbraw/zinc/29/55/59/241295559.db2.gz OFXLESFQAKHEOU-AWEZNQCLSA-N 0 0 330.384 2.177 50 70 biogenic EEIARN CSCC[C@@H](CO)NC(=O)c1cnc2c(F)cc(F)cc2c1O ZINC000218266146 241311248 /nfs/dbraw/zinc/31/12/48/241311248.db2.gz 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O=C(NCC[C@H](O)C1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000217922941 241283311 /nfs/dbraw/zinc/28/33/11/241283311.db2.gz LWULIUQWXWUYME-LBPRGKRZSA-N 0 0 332.322 2.008 50 70 EEIARN COc1ccc(C(=O)N[C@H](CO)C(C)C)cc1-n1nc(C)cc1C ZINC000218290216 241312470 /nfs/dbraw/zinc/31/24/70/241312470.db2.gz NFGVCUDXHPETNQ-OAHLLOKOSA-N 0 0 331.416 2.244 50 70 EEIARN O=C(N[C@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12)c1cc(Cl)c[nH]c1=O ZINC000218168494 303993204 /nfs/dbraw/zinc/99/32/04/303993204.db2.gz CDMFFEOCPOBAQE-MYPMTAMASA-N 0 0 336.819 2.352 50 70 EEIARN CC(=O)c1[nH]c(C)c(C(=O)NCCCn2c(C)cccc2=O)c1C ZINC000217085816 241234961 /nfs/dbraw/zinc/23/49/61/241234961.db2.gz IVINMZPPQMOWJN-UHFFFAOYSA-N 0 0 329.400 2.124 50 70 EEIARN CC(C)c1nnc([C@@H](C)NC(=O)CN2CCOc3ccccc3C2)o1 ZINC000217216657 241240371 /nfs/dbraw/zinc/24/03/71/241240371.db2.gz OHXMMPLFVXICLH-CYBMUJFWSA-N 0 0 344.415 2.265 50 70 EEIARN CCc1nccn1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000217196542 241242534 /nfs/dbraw/zinc/24/25/34/241242534.db2.gz 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ZINC000217542093 241257741 /nfs/dbraw/zinc/25/77/41/241257741.db2.gz WDTZTMNQLHWNIW-ZDUSSCGKSA-N 0 0 340.351 2.205 50 70 EEIARN O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCOC[C@H]1OCC1CC1 ZINC000217987240 241290712 /nfs/dbraw/zinc/29/07/12/241290712.db2.gz AMNBJPMZZWKLHP-YVKRRXEKSA-N 0 0 337.441 2.161 50 70 EEIARN COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc(OC)c1OC ZINC000217971359 295020262 /nfs/dbraw/zinc/02/02/62/295020262.db2.gz GTNMUYIPBYGMOJ-NSHDSACASA-N 0 0 346.335 2.415 50 70 biogenic EEIARN COC(=O)c1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1 ZINC000218201220 536631610 /nfs/dbraw/zinc/63/16/10/536631610.db2.gz NHHYZSGQNBGDIB-UHFFFAOYSA-N 0 0 343.383 2.349 50 70 EEIARN Cc1nc(C2CCN(C(=O)c3scc4c3OCCO4)CC2)no1 ZINC000217088139 241237027 /nfs/dbraw/zinc/23/70/27/241237027.db2.gz QIXSTPXCFUIYHQ-UHFFFAOYSA-N 0 0 335.385 2.231 50 70 EEIARN Cc1[nH]c2c(c1C(=O)NCc1noc([C@@H]3CCCO3)n1)C(=O)CCC2 ZINC000218245482 241308684 /nfs/dbraw/zinc/30/86/84/241308684.db2.gz PJXHEPLEIWBMMQ-LBPRGKRZSA-N 0 0 344.371 2.007 50 70 EEIARN CCc1nccn1CCC(=O)NCCCn1ncc2ccccc21 ZINC000218326639 241314848 /nfs/dbraw/zinc/31/48/48/241314848.db2.gz LKGLHLMIQOLIKC-UHFFFAOYSA-N 0 0 325.416 2.392 50 70 EEIARN COC(=O)CS[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000217555874 241259831 /nfs/dbraw/zinc/25/98/31/241259831.db2.gz JZOICJBYNYQZCD-CYBMUJFWSA-N 0 0 343.832 2.226 50 70 EEIARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)OC1(C)C)c1nnc2ccccn21 ZINC000218296993 241313872 /nfs/dbraw/zinc/31/38/72/241313872.db2.gz IBOWSSSYXJUXCC-OLZOCXBDSA-N 0 0 344.415 2.274 50 70 EEIARN CCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cs1 ZINC000218726818 241341408 /nfs/dbraw/zinc/34/14/08/241341408.db2.gz QNXHOUZEFGBCON-TZMCWYRMSA-N 0 0 347.440 2.457 50 70 EEIARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccoc1 ZINC000217965781 539657617 /nfs/dbraw/zinc/65/76/17/539657617.db2.gz ZGVSLRLYAKWIAJ-TZMCWYRMSA-N 0 0 333.315 2.254 50 70 EEIARN COc1ccc2[nH]c(C(=O)N3CCC(n4cnnc4)CC3)cc2c1 ZINC000217212723 241241137 /nfs/dbraw/zinc/24/11/37/241241137.db2.gz VPWHTHIFIUXCBS-UHFFFAOYSA-N 0 0 325.372 2.245 50 70 EEIARN Cc1noc2nc(C)cc(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)c12 ZINC000218391818 241319331 /nfs/dbraw/zinc/31/93/31/241319331.db2.gz KHARMFGUHMLNNN-CABCVRRESA-N 0 0 345.399 2.154 50 70 EEIARN Cc1nc(CCNC(=O)c2cccc3c2OCCO3)nc2c1CCC2 ZINC000218403791 241319916 /nfs/dbraw/zinc/31/99/16/241319916.db2.gz KQDCGNLWSZNDMG-UHFFFAOYSA-N 0 0 339.395 2.017 50 70 EEIARN O=C(NCCn1ccnc1-c1cccnc1)c1ccc2c(c1)OCO2 ZINC000217866518 241281452 /nfs/dbraw/zinc/28/14/52/241281452.db2.gz LHTDJXZKAYXSQK-UHFFFAOYSA-N 0 0 336.351 2.104 50 70 EEIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)N1CCNC1=O ZINC000217881662 241281704 /nfs/dbraw/zinc/28/17/04/241281704.db2.gz SUBKAZIYZWYKNJ-UHFFFAOYSA-N 0 0 345.428 2.224 50 70 EEIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCC1 ZINC000218265593 241311118 /nfs/dbraw/zinc/31/11/18/241311118.db2.gz SMISWSQEVAWKER-UHFFFAOYSA-N 0 0 349.456 2.462 50 70 EEIARN COc1ccc(C(=O)NCc2nc(C3CCCCC3)no2)c(OC)n1 ZINC000218754903 241343119 /nfs/dbraw/zinc/34/31/19/241343119.db2.gz CJCGTBFPHHAMCS-UHFFFAOYSA-N 0 0 346.387 2.460 50 70 EEIARN CSCC[C@@H](CO)NC(=O)c1cnc2c(cccc2C(C)C)c1O ZINC000217652391 241265742 /nfs/dbraw/zinc/26/57/42/241265742.db2.gz WWEVQTOVFGIPEX-LBPRGKRZSA-N 0 0 348.468 2.495 50 70 biogenic EEIARN O=C(Cc1cccnc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217665169 241268689 /nfs/dbraw/zinc/26/86/89/241268689.db2.gz YRSCLBPNYQJHPO-KRWDZBQOSA-N 0 0 333.395 2.356 50 70 EEIARN Nc1nnc(SCC(=O)N2CCC(c3ccncc3)CC2)s1 ZINC000216980665 241228917 /nfs/dbraw/zinc/22/89/17/241228917.db2.gz FIIJBRSZMIVQOD-UHFFFAOYSA-N 0 0 335.458 2.014 50 70 EEIARN C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 ZINC000218511037 241328764 /nfs/dbraw/zinc/32/87/64/241328764.db2.gz DUYVCLLDULUJEX-NWDGAFQWSA-N 0 0 328.416 2.387 50 70 EEIARN Cn1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)nn1 ZINC000217879829 241280663 /nfs/dbraw/zinc/28/06/63/241280663.db2.gz PMUHYMHVMMIMMQ-UHFFFAOYSA-N 0 0 342.428 2.048 50 70 EEIARN COCc1nc(C)c(CNC(=O)COc2cccc(OC)c2)s1 ZINC000218054111 241294268 /nfs/dbraw/zinc/29/42/68/241294268.db2.gz WQPILMRXKMLPQU-UHFFFAOYSA-N 0 0 336.413 2.302 50 70 EEIARN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN1Cc2ccccc2C1 ZINC000218104364 241297989 /nfs/dbraw/zinc/29/79/89/241297989.db2.gz CNOPKWXBJGGURJ-RTBURBONSA-N 0 0 344.455 2.259 50 70 EEIARN Cc1ccnc(SCC(=O)NCCCn2ncc3ccccc32)n1 ZINC000218120218 241300627 /nfs/dbraw/zinc/30/06/27/241300627.db2.gz IZTARZVPLHFMSJ-UHFFFAOYSA-N 0 0 341.440 2.433 50 70 EEIARN Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2 ZINC000218271427 241310818 /nfs/dbraw/zinc/31/08/18/241310818.db2.gz KEPIVLULEWCBKI-MTCRFPMVSA-N 0 0 349.438 2.227 50 70 EEIARN O=C(N[C@@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12)c1cc2ncccn2n1 ZINC000218562024 241331028 /nfs/dbraw/zinc/33/10/28/241331028.db2.gz BIASDGOHSRHNRI-IEAZIUSSSA-N 0 0 326.400 2.053 50 70 EEIARN O=C(N[C@@H]1COC2(CCCC2)C1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000218642794 241336898 /nfs/dbraw/zinc/33/68/98/241336898.db2.gz FSVZYSDZLZHUOZ-LBPRGKRZSA-N 0 0 330.359 2.499 50 70 EEIARN Cc1cc(=O)cc(C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)o1 ZINC000218772907 241345595 /nfs/dbraw/zinc/34/55/95/241345595.db2.gz JNJSJHLGMCQVPF-UHFFFAOYSA-N 0 0 329.331 2.278 50 70 EEIARN COc1ccc2c(ccn2CCNC(=O)[C@H]2CC(=O)OC2(C)C)c1 ZINC000218017796 537029111 /nfs/dbraw/zinc/02/91/11/537029111.db2.gz ZNRDQWSVJFDILI-CQSZACIVSA-N 0 0 330.384 2.108 50 70 biogenic EEIARN Cc1cccc(N2CCN(CC(=O)NCC[C@@H]3CCCCO3)CC2)c1 ZINC000217162378 241238286 /nfs/dbraw/zinc/23/82/86/241238286.db2.gz UGEMBUWAOOZOGZ-IBGZPJMESA-N 0 0 345.487 2.192 50 70 EEIARN Cc1nc2cc(CNC(=O)CCN3CCCCCC3=O)ccc2n1C ZINC000217205738 241242514 /nfs/dbraw/zinc/24/25/14/241242514.db2.gz INXJDXCMUDMGHU-UHFFFAOYSA-N 0 0 342.443 2.291 50 70 EEIARN Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000217943320 241285854 /nfs/dbraw/zinc/28/58/54/241285854.db2.gz ZAUOYDZGSDOHSW-AWEZNQCLSA-N 0 0 346.811 2.220 50 70 EEIARN Cc1ccc(C(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c(F)c1 ZINC000218696241 241338244 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/nfs/dbraw/zinc/30/85/61/241308561.db2.gz KPGYZNINDNABQX-NBMJBFSESA-N 0 0 337.423 2.499 50 70 EEIARN CCc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(C)nc2)ccn1 ZINC000218360449 536127891 /nfs/dbraw/zinc/12/78/91/536127891.db2.gz ZZSXQLPUFATNBH-MSOLQXFVSA-N 0 0 341.411 2.314 50 70 EEIARN Cc1nnc([C@@H]2CCCN2C(=O)c2cc(CC(C)C)nc(C)n2)[nH]1 ZINC000217600985 241262697 /nfs/dbraw/zinc/26/26/97/241262697.db2.gz CGHHJRZBLDRGNO-HNNXBMFYSA-N 0 0 328.420 2.387 50 70 EEIARN Cc1nnc([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)[nH]1 ZINC000217818301 241276755 /nfs/dbraw/zinc/27/67/55/241276755.db2.gz ONNFFCZBWUOCPF-CQSZACIVSA-N 0 0 338.415 2.259 50 70 EEIARN O=C(Cc1cnccn1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000217632597 241265704 /nfs/dbraw/zinc/26/57/04/241265704.db2.gz OEFYEQFUPQDVJI-HNNXBMFYSA-N 0 0 325.347 2.398 50 70 EEIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cccc3nc(C)[nH]c31)C2 ZINC000216965214 241229635 /nfs/dbraw/zinc/22/96/35/241229635.db2.gz JEAIGKVGBPETFC-MRXNPFEDSA-N 0 0 339.399 2.167 50 70 EEIARN CN(C)[C@@H](C(=O)NCCc1nc(C2CC2)no1)c1ccccc1F ZINC000217102347 241236618 /nfs/dbraw/zinc/23/66/18/241236618.db2.gz LDMQCDCWQZCZFX-OAHLLOKOSA-N 0 0 332.379 2.048 50 70 EEIARN COc1ccc([C@@H](O)CNC(=O)c2ccc(F)c(F)c2)cc1OC ZINC000217495704 241253316 /nfs/dbraw/zinc/25/33/16/241253316.db2.gz MMSHWDPXPRZEQE-AWEZNQCLSA-N 0 0 337.322 2.445 50 70 EEIARN O=C(CC1=CSC2=NCCCN12)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000217838386 241277205 /nfs/dbraw/zinc/27/72/05/241277205.db2.gz VRRNNWOWAAZOPO-GFCCVEGCSA-N 0 0 331.445 2.156 50 70 EEIARN Cc1nc(C2CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000217887436 241281745 /nfs/dbraw/zinc/28/17/45/241281745.db2.gz FLNOPBDSITYLBY-UHFFFAOYSA-N 0 0 328.416 2.393 50 70 EEIARN Cc1cc(=O)oc2cc(OCC(=O)NCCn3cccc3)ccc12 ZINC000218085683 241295051 /nfs/dbraw/zinc/29/50/51/241295051.db2.gz WMJKRHZCEBBWFM-UHFFFAOYSA-N 0 0 326.352 2.098 50 70 biogenic EEIARN O=C(N[C@H](CO)c1ccccc1)c1[nH]nc2c1COc1ccccc1-2 ZINC000218165557 241302500 /nfs/dbraw/zinc/30/25/00/241302500.db2.gz 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/nfs/dbraw/zinc/28/74/33/241287433.db2.gz JIUOGLPBJDZQIK-OAHLLOKOSA-N 0 0 342.326 2.276 50 70 EEIARN Cc1nc2ccc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cc2o1 ZINC000218153894 241301165 /nfs/dbraw/zinc/30/11/65/241301165.db2.gz GWSYUWAWWQCMKW-SUYBPPKGSA-N 0 0 340.383 2.112 50 70 EEIARN Cn1cccc1C(=O)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000218760121 241343043 /nfs/dbraw/zinc/34/30/43/241343043.db2.gz NQLJNIXILLBECW-INIZCTEOSA-N 0 0 326.396 2.416 50 70 EEIARN Cc1noc(-c2c3c(sc2NC(=O)c2ccno2)COCC3)n1 ZINC000217962670 282374149 /nfs/dbraw/zinc/37/41/49/282374149.db2.gz WIKQEMGOBDNPHB-UHFFFAOYSA-N 0 0 332.341 2.420 50 70 EEIARN CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1noc3ccccc13)C2 ZINC000216911372 241219167 /nfs/dbraw/zinc/21/91/67/241219167.db2.gz MQVHVLTVIXFMAF-INIZCTEOSA-N 0 0 340.383 2.053 50 70 EEIARN CCc1nc(C)ccc1OCC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217201794 241241617 /nfs/dbraw/zinc/24/16/17/241241617.db2.gz UBOKTHJHFXFCDZ-HNNXBMFYSA-N 0 0 348.443 2.176 50 70 EEIARN Cn1cc([C@H](NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1 ZINC000218550727 241330850 /nfs/dbraw/zinc/33/08/50/241330850.db2.gz ICDKIENBDMSXFC-DKBDQHFASA-N 0 0 337.782 2.455 50 70 EEIARN Cc1ccc2[nH]c([C@@H](C)NC(=O)CSc3nnc(N)s3)nc2c1 ZINC000217965383 241288336 /nfs/dbraw/zinc/28/83/36/241288336.db2.gz KFPJVVZLJWYENH-MRVPVSSYSA-N 0 0 348.457 2.275 50 70 EEIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1OC ZINC000218054740 295218446 /nfs/dbraw/zinc/21/84/46/295218446.db2.gz RPARTZZGUHEFMN-NSHDSACASA-N 0 0 346.335 2.415 50 70 biogenic EEIARN Cc1nnc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)s1 ZINC000217090035 241236348 /nfs/dbraw/zinc/23/63/48/241236348.db2.gz TZVMYAWVVLAFHE-QGZVFWFLSA-N 0 0 341.440 2.141 50 70 EEIARN Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000217198050 241240854 /nfs/dbraw/zinc/24/08/54/241240854.db2.gz KKVKJSXHIXARAN-OAHLLOKOSA-N 0 0 338.415 2.404 50 70 EEIARN Cc1cc(=O)c(O)c(CN2CCC(c3nnc4ccccn43)CC2)o1 ZINC000218425570 241321233 /nfs/dbraw/zinc/32/12/33/241321233.db2.gz CWZDTRSLYGWZMU-UHFFFAOYSA-N 0 0 340.383 2.076 50 70 EEIARN Cn1cc([C@H](NC(=O)c2coc3ccccc23)[C@H]2C[C@H](O)C2)cn1 ZINC000218483695 241326811 /nfs/dbraw/zinc/32/68/11/241326811.db2.gz SXNMFCCGVYRMGU-BTJLNZGRSA-N 0 0 325.368 2.408 50 70 EEIARN CCc1nccn1CCC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000217915093 241283971 /nfs/dbraw/zinc/28/39/71/241283971.db2.gz FWXWETOUFFELHQ-AWEZNQCLSA-N 0 0 340.427 2.102 50 70 EEIARN CO[C@@H]1COCC[C@H]1NC(=O)c1cccnc1N(C)C1CCCCC1 ZINC000218549978 241329944 /nfs/dbraw/zinc/32/99/44/241329944.db2.gz YSWYUNKJNFGSAB-IAGOWNOFSA-N 0 0 347.459 2.384 50 70 EEIARN Cc1onc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)c1CO ZINC000218530910 464109023 /nfs/dbraw/zinc/10/90/23/464109023.db2.gz FGWJRFVACZUCJW-LLVKDONJSA-N 0 0 326.356 2.152 50 70 EEIARN O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)CCC2=O)C1 ZINC000217716029 241271262 /nfs/dbraw/zinc/27/12/62/241271262.db2.gz WCJRRPRMAPDIQE-UHFFFAOYSA-N 0 0 340.404 2.389 50 70 EEIARN Cc1nc(N)sc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000217041029 241234018 /nfs/dbraw/zinc/23/40/18/241234018.db2.gz PPQRYFMJVARLAF-UHFFFAOYSA-N 0 0 329.385 2.356 50 70 EEIARN OC[C@@H](O)c1cc2n(n1)CCN(Cc1csc3ccccc13)C2 ZINC000217204090 241241554 /nfs/dbraw/zinc/24/15/54/241241554.db2.gz IMQAMNPXRKCOCU-MRXNPFEDSA-N 0 0 329.425 2.139 50 70 EEIARN CCc1nccn1CCC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 ZINC000217915162 241282666 /nfs/dbraw/zinc/28/26/66/241282666.db2.gz FWXWETOUFFELHQ-CQSZACIVSA-N 0 0 340.427 2.102 50 70 EEIARN O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1ccc(F)cc1 ZINC000218291099 241312702 /nfs/dbraw/zinc/31/27/02/241312702.db2.gz WLIYETMFDRRSDA-QZTJIDSGSA-N 0 0 345.370 2.284 50 70 EEIARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=NCCN12 ZINC000218370876 241317423 /nfs/dbraw/zinc/31/74/23/241317423.db2.gz HPEWJXLYVBYQOL-UHFFFAOYSA-N 0 0 333.461 2.316 50 70 EEIARN O=C(N[C@H](CCn1cncn1)c1ccccc1)c1ccncc1F ZINC000218682884 241338719 /nfs/dbraw/zinc/33/87/19/241338719.db2.gz QWWYTOVLHWONLI-MRXNPFEDSA-N 0 0 325.347 2.374 50 70 EEIARN CC[C@@H]1[C@@H](NC(=O)CCn2c3cc(C)ccc3oc2=O)[C@@H]2CCO[C@H]12 ZINC000218275667 535958317 /nfs/dbraw/zinc/95/83/17/535958317.db2.gz XPMRSKQVGHCTHK-JGTCGTHISA-N 0 0 344.411 2.223 50 70 EEIARN CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1C ZINC000218304141 241313568 /nfs/dbraw/zinc/31/35/68/241313568.db2.gz NFVBJIJTYYRJEH-HOTGVXAUSA-N 0 0 348.443 2.396 50 70 EEIARN COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2CCC[C@@H](O)C2)cc1 ZINC000218732975 241341128 /nfs/dbraw/zinc/34/11/28/241341128.db2.gz GPQMHIOXGBQPOR-DZGCQCFKSA-N 0 0 329.400 2.253 50 70 EEIARN CC(C)Oc1cc(N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc(N)n1 ZINC000218743384 534964740 /nfs/dbraw/zinc/96/47/40/534964740.db2.gz QPKBINLDUADFGX-BPLDGKMQSA-N 0 0 343.431 2.035 50 70 EEIARN Cc1cc(N)n(CC(=O)N[C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)n1 ZINC000217659670 241267236 /nfs/dbraw/zinc/26/72/36/241267236.db2.gz UUCRLPQODMBZHV-QGZVFWFLSA-N 0 0 340.431 2.472 50 70 EEIARN CCC[C@H](Nc1ncnc2ccccc21)C(=O)NCc1cnn(C)c1 ZINC000217807528 241275080 /nfs/dbraw/zinc/27/50/80/241275080.db2.gz WRYZALJPJCKAEJ-INIZCTEOSA-N 0 0 338.415 2.260 50 70 EEIARN Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1ccccn1 ZINC000218530211 241328725 /nfs/dbraw/zinc/32/87/25/241328725.db2.gz LMHWRONYKCQNMZ-UHFFFAOYSA-N 0 0 347.378 2.451 50 70 EEIARN CCc1[nH]nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1C ZINC000218256516 241308880 /nfs/dbraw/zinc/30/88/80/241308880.db2.gz VIYVACMSCTZXNQ-IAGOWNOFSA-N 0 0 343.427 2.385 50 70 EEIARN O=C(Cn1cnc2ccccc21)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218256420 241308895 /nfs/dbraw/zinc/30/88/95/241308895.db2.gz QKOGIIDQFWXSTC-KSMMKXTCSA-N 0 0 336.395 2.060 50 70 EEIARN Cc1cnc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cn1 ZINC000218744952 241344927 /nfs/dbraw/zinc/34/49/27/241344927.db2.gz MMAGVDLGVHHXKN-UHFFFAOYSA-N 0 0 340.431 2.123 50 70 EEIARN O=C(Cn1cnc2ccccc21)Nc1cnn(CC2CCOCC2)c1 ZINC000218197930 464108417 /nfs/dbraw/zinc/10/84/17/464108417.db2.gz OWMRUDSSNOGXQH-UHFFFAOYSA-N 0 0 339.399 2.298 50 70 EEIARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccoc1 ZINC000217965584 539657708 /nfs/dbraw/zinc/65/77/08/539657708.db2.gz ZGVSLRLYAKWIAJ-GXTWGEPZSA-N 0 0 333.315 2.254 50 70 EEIARN CC[C@H](C)[C@H](C(=O)N[C@H](CO)C(C)C)N1Cc2ccccc2C1=O ZINC000217772805 241274200 /nfs/dbraw/zinc/27/42/00/241274200.db2.gz GRFUKDNYRJPYSX-IAOVAPTHSA-N 0 0 332.444 2.190 50 70 biogenic EEIARN Nc1nc(CCCNC(=O)[C@@H](O)c2ccccc2Cl)cs1 ZINC000217480503 241252278 /nfs/dbraw/zinc/25/22/78/241252278.db2.gz KEBVTLKDONQSIX-LBPRGKRZSA-N 0 0 325.821 2.161 50 70 EEIARN CC(C)n1ncc2c1nc1c(c2C(=O)NC[C@H]2CCCO2)CCC1 ZINC000218501008 241325999 /nfs/dbraw/zinc/32/59/99/241325999.db2.gz WJLHLIQMMVPICW-GFCCVEGCSA-N 0 0 328.416 2.410 50 70 EEIARN Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2 ZINC000218271346 241310987 /nfs/dbraw/zinc/31/09/87/241310987.db2.gz KEPIVLULEWCBKI-MEQKGCOVSA-N 0 0 349.438 2.227 50 70 EEIARN CN(CC1(CO)CCOCC1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000218340417 241314888 /nfs/dbraw/zinc/31/48/88/241314888.db2.gz 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/nfs/dbraw/zinc/32/93/30/241329330.db2.gz QMWNNUPJMLACQV-UHFFFAOYSA-N 0 0 334.335 2.037 50 70 EEIARN Cc1cc(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)on1 ZINC000217897912 241283245 /nfs/dbraw/zinc/28/32/45/241283245.db2.gz MBHNWOKCMVUMAN-UHFFFAOYSA-N 0 0 326.356 2.016 50 70 EEIARN Cn1nnc(-c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)cc2)n1 ZINC000218337982 241315508 /nfs/dbraw/zinc/31/55/08/241315508.db2.gz TZXKBKMUNXEKNN-UHFFFAOYSA-N 0 0 348.366 2.376 50 70 EEIARN Cc1cc(CC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)on1 ZINC000218775530 241345506 /nfs/dbraw/zinc/34/55/06/241345506.db2.gz LBZCCIIOCYDYPT-UHFFFAOYSA-N 0 0 328.294 2.002 50 70 EEIARN COc1ccc(-c2csc3ncc(C(=O)NC4CC4)c(=O)n23)cc1 ZINC000218310997 536500923 /nfs/dbraw/zinc/50/09/23/536500923.db2.gz SDDTWEKUKAEDTN-UHFFFAOYSA-N 0 0 341.392 2.324 50 70 EEIARN COc1ncccc1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217587213 537151911 /nfs/dbraw/zinc/15/19/11/537151911.db2.gz SJUAAWZVMUFRGG-IBGZPJMESA-N 0 0 338.363 2.392 50 70 EEIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc(Br)o2)C1 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O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2[nH]cnc2c1 ZINC000218265485 241311506 /nfs/dbraw/zinc/31/15/06/241311506.db2.gz SOJCWXNOBMKJHA-UHFFFAOYSA-N 0 0 348.366 2.087 50 70 EEIARN COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC ZINC000218021346 295008348 /nfs/dbraw/zinc/00/83/48/295008348.db2.gz QPBAZHCJVOIQDU-NSHDSACASA-N 0 0 346.335 2.415 50 70 biogenic EEIARN CSc1ncccc1C(=O)NCCc1noc([C@H]2CCCO2)n1 ZINC000217598868 241263515 /nfs/dbraw/zinc/26/35/15/241263515.db2.gz WPZYDQNVASWWRP-LLVKDONJSA-N 0 0 334.401 2.011 50 70 EEIARN O=C(COc1ccc(F)cc1)NCCn1ccnc1-c1cccnc1 ZINC000217867260 241281774 /nfs/dbraw/zinc/28/17/74/241281774.db2.gz PCMSCEXAIVRIOM-UHFFFAOYSA-N 0 0 340.358 2.279 50 70 EEIARN Cc1nc(CN2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)c[nH]1 ZINC000218147660 241301055 /nfs/dbraw/zinc/30/10/55/241301055.db2.gz MLOXBOTXWKPEIJ-IBGZPJMESA-N 0 0 337.427 2.207 50 70 EEIARN Cc1cccc2[nH]c(CNC(=O)c3nc(N)nc4c3CCCC4)nc21 ZINC000218224612 241308448 /nfs/dbraw/zinc/30/84/48/241308448.db2.gz 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241320298 /nfs/dbraw/zinc/32/02/98/241320298.db2.gz HGWSUWZUPBIOLM-RTBURBONSA-N 0 0 341.407 2.188 50 70 EEIARN CC(=O)N1CC(Nc2cnn(Cc3c(F)cccc3Cl)c2)=CC1=O ZINC000218476847 241326502 /nfs/dbraw/zinc/32/65/02/241326502.db2.gz KSHQAXCJNXNPGF-UHFFFAOYSA-N 0 0 348.765 2.408 50 70 EEIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccncc1Cl ZINC000218005031 241290842 /nfs/dbraw/zinc/29/08/42/241290842.db2.gz IZDFZQWAAFLMFY-HZPDHXFCSA-N 0 0 347.802 2.234 50 70 EEIARN COc1nc(N[C@@H]2COCC[C@@H]2OCc2ccccc2)ncc1F ZINC000218253591 241307192 /nfs/dbraw/zinc/30/71/92/241307192.db2.gz YQVIOCIIWOCPNI-CABCVRRESA-N 0 0 333.363 2.411 50 70 EEIARN COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc2c1OCO2 ZINC000218003516 286245938 /nfs/dbraw/zinc/24/59/38/286245938.db2.gz KMCRVCFQOXUMCB-JTQLQIEISA-N 0 0 330.292 2.127 50 70 biogenic EEIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000217565482 241259611 /nfs/dbraw/zinc/25/96/11/241259611.db2.gz RCLRYHMLYSSVQD-ZDUSSCGKSA-N 0 0 330.409 2.356 50 70 EEIARN Cc1ccn2c(nnc2C(=O)N(C)Cc2cccc3ncccc23)n1 ZINC000217093555 241237065 /nfs/dbraw/zinc/23/70/65/241237065.db2.gz BQNWZKFBKXHTMF-UHFFFAOYSA-N 0 0 332.367 2.253 50 70 EEIARN COc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1C ZINC000217536734 241257587 /nfs/dbraw/zinc/25/75/87/241257587.db2.gz IYIUSWNRCMSMRY-AWEZNQCLSA-N 0 0 341.454 2.467 50 70 EEIARN NC(=O)c1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1 ZINC000218128782 241300605 /nfs/dbraw/zinc/30/06/05/241300605.db2.gz WLEIQHJLZJUPIB-UHFFFAOYSA-N 0 0 327.384 2.122 50 70 EEIARN COc1ccc(-c2nnc3sc(Cn4ccnc4)nn32)cc1OC ZINC000218183360 241303655 /nfs/dbraw/zinc/30/36/55/241303655.db2.gz QBWMQBQQTPBKAR-UHFFFAOYSA-N 0 0 342.384 2.115 50 70 EEIARN CN1C[C@]2(CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)OC1=O ZINC000217381945 290311737 /nfs/dbraw/zinc/31/17/37/290311737.db2.gz VZMJGLHYKMTDDY-IBGZPJMESA-N 0 0 343.427 2.344 50 70 EEIARN COc1ccc(C(=O)N(C)CC2CCOCC2)cc1N1CCOCC1 ZINC000217031766 536693233 /nfs/dbraw/zinc/69/32/33/536693233.db2.gz FWPCPXCONRGGDP-UHFFFAOYSA-N 0 0 348.443 2.030 50 70 EEIARN O[C@H](c1cc2n(n1)CCN(Cc1nccs1)C2)c1ccccc1 ZINC000217620395 241262920 /nfs/dbraw/zinc/26/29/20/241262920.db2.gz HJRIPUMSEHCCJW-KRWDZBQOSA-N 0 0 326.425 2.437 50 70 EEIARN O=C(CCCN1CCCCC1=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000217352370 241244766 /nfs/dbraw/zinc/24/47/66/241244766.db2.gz WSZTXLXXVWVPFJ-UHFFFAOYSA-N 0 0 334.391 2.208 50 70 EEIARN COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)c1ccsc1 ZINC000217537409 241256696 /nfs/dbraw/zinc/25/66/96/241256696.db2.gz YJTBNVITSPRIGK-GFCCVEGCSA-N 0 0 345.417 2.298 50 70 EEIARN CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000218443396 241322861 /nfs/dbraw/zinc/32/28/61/241322861.db2.gz OBHMVUKLUFUTFC-QZTJIDSGSA-N 0 0 347.436 2.436 50 70 EEIARN CS(=O)(=O)Cc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc1 ZINC000218177465 241304199 /nfs/dbraw/zinc/30/41/99/241304199.db2.gz XNGICYWGOWWHOM-OAHLLOKOSA-N 0 0 344.436 2.222 50 70 EEIARN CCc1cc(N2CCN(C(=O)c3csc(SC)n3)CC2)ncn1 ZINC000218687181 241339627 /nfs/dbraw/zinc/33/96/27/241339627.db2.gz GFQASLDZVWKYCO-UHFFFAOYSA-N 0 0 349.485 2.180 50 70 EEIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccccn1 ZINC000218298064 534763367 /nfs/dbraw/zinc/76/33/67/534763367.db2.gz FRBOZGJREMBXQK-UHFFFAOYSA-N 0 0 336.395 2.354 50 70 EEIARN O=C(Cc1cccnc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217665082 241268170 /nfs/dbraw/zinc/26/81/70/241268170.db2.gz YRSCLBPNYQJHPO-QGZVFWFLSA-N 0 0 333.395 2.356 50 70 EEIARN Cc1cccc2[nH]c(CCNC(=O)c3c[nH]c(=O)c(Cl)c3)nc21 ZINC000217056384 241232929 /nfs/dbraw/zinc/23/29/29/241232929.db2.gz AZLHRNQPRALSFL-UHFFFAOYSA-N 0 0 330.775 2.186 50 70 EEIARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2ccccc2n1 ZINC000218522743 241328168 /nfs/dbraw/zinc/32/81/68/241328168.db2.gz SPMRTKPPQWSQOO-SNUQEOBHSA-N 0 0 334.379 2.267 50 70 EEIARN OCc1cc2n(n1)CCCN(Cc1cncn1Cc1ccccc1)C2 ZINC000217812431 241277266 /nfs/dbraw/zinc/27/72/66/241277266.db2.gz WGLMUJQJFKKYIW-UHFFFAOYSA-N 0 0 337.427 2.026 50 70 EEIARN COCc1cccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 ZINC000218023466 241291466 /nfs/dbraw/zinc/29/14/66/241291466.db2.gz ZGEXLFDPRVJMTO-JZXOWHBKSA-N 0 0 326.396 2.470 50 70 EEIARN CSCC[C@@H](CO)NC(=O)c1nc(-n2cccc2)sc1C ZINC000218200316 241306598 /nfs/dbraw/zinc/30/65/98/241306598.db2.gz RJLQBHAZHAVINA-NSHDSACASA-N 0 0 325.459 2.086 50 70 EEIARN COc1ccc2ncc(C(=O)Nc3nnc(C(C)C)[nH]3)c(O)c2c1 ZINC000218291496 241312292 /nfs/dbraw/zinc/31/22/92/241312292.db2.gz ITOQIOWWHLLUPL-UHFFFAOYSA-N 0 0 327.344 2.443 50 70 EEIARN COc1cn(CC(=O)NCCSc2ccccc2)c(C)cc1=O ZINC000218296132 241313793 /nfs/dbraw/zinc/31/37/93/241313793.db2.gz WDUWTHHJQSJHGA-UHFFFAOYSA-N 0 0 332.425 2.074 50 70 EEIARN Cc1nc2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 ZINC000218324574 241315141 /nfs/dbraw/zinc/31/51/41/241315141.db2.gz QAGNMXOQAOEWNR-AEFFLSMTSA-N 0 0 343.427 2.045 50 70 EEIARN COc1ccccc1-n1cc([C@H](C)NC(=O)c2nc(C)c[nH]2)cn1 ZINC000218241935 536978615 /nfs/dbraw/zinc/97/86/15/536978615.db2.gz BTWKMGKPXRCTKY-LBPRGKRZSA-N 0 0 325.372 2.403 50 70 EEIARN COc1cccc(C(=O)NCCC(=O)NC2Cc3ccccc3C2)c1 ZINC000217702824 241271143 /nfs/dbraw/zinc/27/11/43/241271143.db2.gz OCGCXRNFRKREAO-UHFFFAOYSA-N 0 0 338.407 2.099 50 70 EEIARN O=C(c1cc(-c2ccsc2)n[nH]1)N1CCN(C2CCCC2)C(=O)C1 ZINC000218426375 241322117 /nfs/dbraw/zinc/32/21/17/241322117.db2.gz MUTCJDQGNUNUME-UHFFFAOYSA-N 0 0 344.440 2.365 50 70 EEIARN Cn1cc([C@@H](NC(=O)c2coc3ccccc23)[C@H]2C[C@H](O)C2)cn1 ZINC000218483616 241327323 /nfs/dbraw/zinc/32/73/23/241327323.db2.gz SXNMFCCGVYRMGU-PPHDSNJXSA-N 0 0 325.368 2.408 50 70 EEIARN COC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc21)c1ccnn1C ZINC000218216896 241305484 /nfs/dbraw/zinc/30/54/84/241305484.db2.gz WVUZPCCVBJCMSJ-INIZCTEOSA-N 0 0 326.400 2.256 50 70 EEIARN CC(C)NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217855771 275963790 /nfs/dbraw/zinc/96/37/90/275963790.db2.gz HDKLOOYZYTWCBI-GOSISDBHSA-N 0 0 349.390 2.326 50 70 biogenic EEIARN Cn1cc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)cn1 ZINC000217583425 241260723 /nfs/dbraw/zinc/26/07/23/241260723.db2.gz SUCIHPYSXKLFRL-UHFFFAOYSA-N 0 0 325.459 2.272 50 70 EEIARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-n2cccc2)ccc1Cl ZINC000218497802 241326884 /nfs/dbraw/zinc/32/68/84/241326884.db2.gz GZFQQUBFKYWVMU-LLVKDONJSA-N 0 0 338.816 2.048 50 70 EEIARN C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 ZINC000218511116 241328669 /nfs/dbraw/zinc/32/86/69/241328669.db2.gz DUYVCLLDULUJEX-RYUDHWBXSA-N 0 0 328.416 2.387 50 70 EEIARN Cc1ccc2nc(SCCC(=O)N3CCNC(=O)C3)cc(C)c2c1 ZINC000217945963 241285597 /nfs/dbraw/zinc/28/55/97/241285597.db2.gz KWUKVNQXXNPXFN-UHFFFAOYSA-N 0 0 343.452 2.292 50 70 EEIARN CCCCOc1ccc(NC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1 ZINC000217717168 241271390 /nfs/dbraw/zinc/27/13/90/241271390.db2.gz PINXBQGCIAYLLY-UHFFFAOYSA-N 0 0 345.399 2.231 50 70 EEIARN CCNc1nc(C)c(C(=O)NCc2nc3ccccc3c(=O)[nH]2)s1 ZINC000217012971 241228999 /nfs/dbraw/zinc/22/89/99/241228999.db2.gz YYBCEZYMUVZIMP-UHFFFAOYSA-N 0 0 343.412 2.050 50 70 EEIARN O=C(CCCOCc1ccccc1)N1CCCn2nc(CO)cc2C1 ZINC000217551642 241257267 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CCNC(=O)N1CCC(NC(=O)CCCc2ccc(OC)cc2)CC1 ZINC000218151796 535790925 /nfs/dbraw/zinc/79/09/25/535790925.db2.gz SNMRUBKRQIZVLP-UHFFFAOYSA-N 0 0 347.459 2.328 50 70 EEIARN COC(=O)CS[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000217556068 241259739 /nfs/dbraw/zinc/25/97/39/241259739.db2.gz XDAGPDGPNYBVEC-NSHDSACASA-N 0 0 343.832 2.469 50 70 EEIARN O=C(Cc1cnccn1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000217632518 241265145 /nfs/dbraw/zinc/26/51/45/241265145.db2.gz OEFYEQFUPQDVJI-OAHLLOKOSA-N 0 0 325.347 2.398 50 70 EEIARN Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 ZINC000217727076 241273335 /nfs/dbraw/zinc/27/33/35/241273335.db2.gz GGSAPKZMGNATNS-GOSISDBHSA-N 0 0 327.384 2.072 50 70 EEIARN CCn1c(C)cc(C)c(C(=O)N(C)[C@@H](COC)c2ccccn2)c1=O ZINC000217766413 241274362 /nfs/dbraw/zinc/27/43/62/241274362.db2.gz XWVFXUOHTKYLHF-INIZCTEOSA-N 0 0 343.427 2.340 50 70 EEIARN O=C(NCCCn1ccccc1=O)c1ccc(N2CCCC2)cc1 ZINC000217108246 241235858 /nfs/dbraw/zinc/23/58/58/241235858.db2.gz ZRXLVALFXHKQAS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/31/70/45/241317045.db2.gz VPZUIRHSYRKUNX-VIFPVBQESA-N 0 0 325.723 2.454 50 70 EEIARN O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cccc2c1OCCO2 ZINC000218623632 241335592 /nfs/dbraw/zinc/33/55/92/241335592.db2.gz HWWJVTKFXMJZIP-NVXWUHKLSA-N 0 0 347.411 2.162 50 70 EEIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1OC ZINC000218054810 295247223 /nfs/dbraw/zinc/24/72/23/295247223.db2.gz RPARTZZGUHEFMN-LLVKDONJSA-N 0 0 346.335 2.415 50 70 biogenic EEIARN CCOC(=O)CCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217807518 241275420 /nfs/dbraw/zinc/27/54/20/241275420.db2.gz XEXOWSONPGXYGT-LBPRGKRZSA-N 0 0 335.404 2.071 50 70 EEIARN CC(C)c1nnc([C@@H](C)NC(=O)COc2ncnc3ccccc32)o1 ZINC000217216229 241240805 /nfs/dbraw/zinc/24/08/05/241240805.db2.gz YAVRINADEFXNOV-LLVKDONJSA-N 0 0 341.371 2.392 50 70 EEIARN Cc1cc(C)n(CCNC(=O)Cc2ccc(F)cc2Cl)c(=O)n1 ZINC000218003544 241290834 /nfs/dbraw/zinc/29/08/34/241290834.db2.gz PJOWTBACKMWUCU-UHFFFAOYSA-N 0 0 337.782 2.012 50 70 EEIARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1CCc2ccccc2C1 ZINC000218022237 241291976 /nfs/dbraw/zinc/29/19/76/241291976.db2.gz LEUKGCDVHKWGLH-KRWDZBQOSA-N 0 0 349.390 2.086 50 70 biogenic EEIARN COc1cncc([C@H](NC(=O)Cc2csc(C)n2)[C@H]2C[C@H](O)C2)c1 ZINC000218640961 241337177 /nfs/dbraw/zinc/33/71/77/241337177.db2.gz RHYJSQDIPIWOLE-HYSWKAIVSA-N 0 0 347.440 2.026 50 70 EEIARN Cc1ccc(C(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)c(F)c1 ZINC000218696178 241339834 /nfs/dbraw/zinc/33/98/34/241339834.db2.gz KQKGUCWJOLHTQT-KRWDZBQOSA-N 0 0 329.375 2.430 50 70 EEIARN CN(CC(=O)N[C@@H](c1nccn1C)c1ccccc1)Cc1cccnc1 ZINC000217721579 241269432 /nfs/dbraw/zinc/26/94/32/241269432.db2.gz IDKKGOPSUCJGJU-LJQANCHMSA-N 0 0 349.438 2.153 50 70 EEIARN Cn1cc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c2ccccc21 ZINC000216999170 241231275 /nfs/dbraw/zinc/23/12/75/241231275.db2.gz JVFQWJSVGYMNPY-OAHLLOKOSA-N 0 0 338.411 2.306 50 70 EEIARN COc1ccc([C@H](O)CNC(=O)c2ccc(F)c(F)c2)cc1OC ZINC000217495610 241253106 /nfs/dbraw/zinc/25/31/06/241253106.db2.gz MMSHWDPXPRZEQE-CQSZACIVSA-N 0 0 337.322 2.445 50 70 EEIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc(F)c(F)c(F)c2)o1 ZINC000218163721 241302017 /nfs/dbraw/zinc/30/20/17/241302017.db2.gz MUYGOQQLGPRAHM-MRVPVSSYSA-N 0 0 327.258 2.078 50 70 EEIARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1scc2c1OCCO2 ZINC000218769818 241343479 /nfs/dbraw/zinc/34/34/79/241343479.db2.gz UWJGBBJBZMSRGB-WDMOLILDSA-N 0 0 346.408 2.156 50 70 EEIARN O=C(C[C@@H](Cc1ccccc1)c1ccco1)N1CCNC(=O)CC1 ZINC000217368648 241246693 /nfs/dbraw/zinc/24/66/93/241246693.db2.gz WDDPGSHJGGWZND-MRXNPFEDSA-N 0 0 326.396 2.345 50 70 EEIARN Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H]1c1ccccn1 ZINC000217423563 241249055 /nfs/dbraw/zinc/24/90/55/241249055.db2.gz VAPUBYMLIFZLKR-MRXNPFEDSA-N 0 0 326.400 2.490 50 70 EEIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccccc1OC ZINC000217818141 241276534 /nfs/dbraw/zinc/27/65/34/241276534.db2.gz RPXYOXHCKUSLLH-LLVKDONJSA-N 0 0 343.335 2.001 50 70 biogenic EEIARN CCOc1ccccc1NC(=O)C(=O)NCC[C@@H](O)c1ccsc1 ZINC000217542741 241257803 /nfs/dbraw/zinc/25/78/03/241257803.db2.gz ZDTURLREBSYFDZ-CQSZACIVSA-N 0 0 348.424 2.325 50 70 EEIARN O[C@@H](c1cc2n(n1)CCN(c1ncnc3[nH]ccc31)C2)c1ccccc1 ZINC000217561468 241259104 /nfs/dbraw/zinc/25/91/04/241259104.db2.gz LCMDYICUHFMSTG-QGZVFWFLSA-N 0 0 346.394 2.256 50 70 EEIARN COc1ccc(C2(C(=O)N[C@@H]3COCC[C@H]3OC)CCCC2)cc1 ZINC000217006745 241230543 /nfs/dbraw/zinc/23/05/43/241230543.db2.gz XQPLUGUPNIJUQX-IAGOWNOFSA-N 0 0 333.428 2.427 50 70 EEIARN O=C(NCCc1nccc(-c2ccccc2)n1)c1ccc2n[nH]nc2c1 ZINC000217026561 241233673 /nfs/dbraw/zinc/23/36/73/241233673.db2.gz DDZFIJUYMULWHG-UHFFFAOYSA-N 0 0 344.378 2.387 50 70 EEIARN CN1CCN(C(=O)CCCN2CCCCC2=O)C[C@@H]1c1ccccc1 ZINC000217146283 241238223 /nfs/dbraw/zinc/23/82/23/241238223.db2.gz FRZGXFGFXPUJDH-GOSISDBHSA-N 0 0 343.471 2.294 50 70 EEIARN Nc1nc(CCCNC(=O)[C@H](O)c2ccccc2Cl)cs1 ZINC000217480580 241253134 /nfs/dbraw/zinc/25/31/34/241253134.db2.gz KEBVTLKDONQSIX-GFCCVEGCSA-N 0 0 325.821 2.161 50 70 EEIARN Cc1nc(C2CCN(C(=O)COCC(F)(F)C(F)F)CC2)no1 ZINC000218389039 241319985 /nfs/dbraw/zinc/31/99/85/241319985.db2.gz TXGGOGSCHMYXEI-UHFFFAOYSA-N 0 0 339.289 2.001 50 70 EEIARN Cn1c(CCCNC(=O)c2c[nH]c(=O)c(Cl)c2)nc2ccccc21 ZINC000218016136 241291946 /nfs/dbraw/zinc/29/19/46/241291946.db2.gz IXLCGOSIYAFWDE-UHFFFAOYSA-N 0 0 344.802 2.278 50 70 EEIARN COCCc1noc([C@H](C)NC(=O)c2cc(F)c(F)cc2F)n1 ZINC000218629484 241335403 /nfs/dbraw/zinc/33/54/03/241335403.db2.gz NHFLJULWLWGIOD-ZETCQYMHSA-N 0 0 329.278 2.167 50 70 EEIARN O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC[C@H]1c1cccnc1 ZINC000218073934 304410518 /nfs/dbraw/zinc/41/05/18/304410518.db2.gz HLCKOEPGFMPJLQ-ROUUACIJSA-N 0 0 348.410 2.411 50 70 biogenic EEIARN Cc1nnc([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)[nH]1 ZINC000217818373 241276885 /nfs/dbraw/zinc/27/68/85/241276885.db2.gz ONNFFCZBWUOCPF-AWEZNQCLSA-N 0 0 338.415 2.259 50 70 EEIARN O=C(CCc1ccccc1F)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217783812 241275095 /nfs/dbraw/zinc/27/50/95/241275095.db2.gz XLXIJPNDPMXLDN-LBPRGKRZSA-N 0 0 336.388 2.055 50 70 EEIARN Cn1cc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c2ccccc21 ZINC000216908883 241219699 /nfs/dbraw/zinc/21/96/99/241219699.db2.gz KXAFXFHBCRIIFD-CQSZACIVSA-N 0 0 335.411 2.367 50 70 EEIARN CSCC(=O)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000218524995 241328140 /nfs/dbraw/zinc/32/81/40/241328140.db2.gz HVYCJYRBTRTICJ-QGZVFWFLSA-N 0 0 331.441 2.060 50 70 EEIARN CCOC(=O)CCC(=O)NCCn1nc(-c2cccs2)cc1C ZINC000217873079 241282061 /nfs/dbraw/zinc/28/20/61/241282061.db2.gz PDEAMQJBBDXRFH-UHFFFAOYSA-N 0 0 335.429 2.380 50 70 EEIARN O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccccc1F ZINC000217979717 241288680 /nfs/dbraw/zinc/28/86/80/241288680.db2.gz JIUOGLPBJDZQIK-HNNXBMFYSA-N 0 0 342.326 2.276 50 70 EEIARN C[C@H](C(=O)NCc1csc(Cc2ccccc2)n1)n1cncn1 ZINC000217000599 241231358 /nfs/dbraw/zinc/23/13/58/241231358.db2.gz ZJJNMSRSQZTWJO-GFCCVEGCSA-N 0 0 327.413 2.203 50 70 EEIARN COc1cc(Cl)ccc1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 ZINC000218512575 241327983 /nfs/dbraw/zinc/32/79/83/241327983.db2.gz NFSNCSWNGMXBKZ-MEKTXKAGSA-N 0 0 349.818 2.324 50 70 EEIARN Cc1cc(C[C@H](C)NC(=O)Cn2c(C)cc(=O)c3ccccc32)[nH]n1 ZINC000218288902 241313168 /nfs/dbraw/zinc/31/31/68/241313168.db2.gz KKMJDOQSAYLGQO-LBPRGKRZSA-N 0 0 338.411 2.089 50 70 EEIARN COC[C@H]1[C@@H](NC(=O)C(C)(C)Oc2cccc(C)c2)[C@@H]2CCO[C@H]12 ZINC000218697300 536612402 /nfs/dbraw/zinc/61/24/02/536612402.db2.gz GTCUDOKZBUVSIO-QAETUUGQSA-N 0 0 333.428 2.319 50 70 EEIARN