smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1nnn(-c2ccc(S(N)(=O)=O)cc2)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000623132 193859233 /nfs/dbraw/zinc/85/92/33/193859233.db2.gz DQUWSTNKPVRJJG-UHFFFAOYSA-N 0 0 455.279 2.239 40 0 JEABRN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000883766 193945281 /nfs/dbraw/zinc/94/52/81/193945281.db2.gz UUQUJSRSACVTDB-UHFFFAOYSA-N 0 0 491.570 2.373 40 0 JEABRN COc1cc2cc(CN(CCO)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC ZINC000000923977 193975444 /nfs/dbraw/zinc/97/54/44/193975444.db2.gz MANGVCDFUOBJHQ-UHFFFAOYSA-N 0 0 452.916 2.382 40 0 JEABRN Cc1cccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)n1 ZINC000001222983 194075065 /nfs/dbraw/zinc/07/50/65/194075065.db2.gz HOGNSLDSEYUZBU-UHFFFAOYSA-N 0 0 468.514 2.055 40 0 JEABRN CCOc1cc(S(=O)(=O)NC[C@@H]2OCCc3ccccc32)c(OCC)cc1-n1cnnn1 ZINC000001325363 194086570 /nfs/dbraw/zinc/08/65/70/194086570.db2.gz CVMLKLIHTDHTIG-FQEVSTJZSA-N 0 0 459.528 2.052 40 0 JEABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001365335 194103700 /nfs/dbraw/zinc/10/37/00/194103700.db2.gz FWQJWZMDXFDUNQ-INIZCTEOSA-N 0 0 456.528 2.100 40 0 JEABRN CC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000001373725 194107690 /nfs/dbraw/zinc/10/76/90/194107690.db2.gz AHCVDBPKWBMPAX-QGZVFWFLSA-N 0 0 454.531 2.222 40 0 JEABRN O=S(=O)(c1ccc(-n2cnnn2)cc1)N(Cc1ccc2c(c1)OCO2)Cc1ccccn1 ZINC000001357109 194101303 /nfs/dbraw/zinc/10/13/03/194101303.db2.gz IMULOWNBYPAYKL-UHFFFAOYSA-N 0 0 450.480 2.177 40 0 JEABRN Cn1c2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001361048 194102387 /nfs/dbraw/zinc/10/23/87/194102387.db2.gz BBFJGXHNJNJOEZ-UHFFFAOYSA-N 0 0 471.489 2.491 40 0 JEABRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1 ZINC000001364582 194102890 /nfs/dbraw/zinc/10/28/90/194102890.db2.gz ADOYZNXTCFFSDX-HNNXBMFYSA-N 0 0 480.568 2.457 40 0 aggregator JEABRN CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(I)c1 ZINC000001438797 194120535 /nfs/dbraw/zinc/12/05/35/194120535.db2.gz FSNIZJLYJGOZTO-UHFFFAOYSA-N 0 0 456.309 2.199 40 0 JEABRN COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccn3)C2)cc1 ZINC000003841411 194363484 /nfs/dbraw/zinc/36/34/84/194363484.db2.gz LJKJXLUTIXKQSB-DLBZAZTESA-N 0 0 480.546 2.312 40 0 biogenic,in-vitro JEABRN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000003958738 194367521 /nfs/dbraw/zinc/36/75/21/194367521.db2.gz VBWBRAIDMPRMHW-VHJOFQCFSA-N 0 0 474.462 2.302 40 0 JEABRN COc1ccc(C(=O)OCC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC ZINC000004034986 194371410 /nfs/dbraw/zinc/37/14/10/194371410.db2.gz VGADILUQHBTDHB-UHFFFAOYSA-N 0 0 463.508 2.073 40 0 JEABRN CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2c1c(=O)n(C)c(=O)n2C ZINC000004103120 194378094 /nfs/dbraw/zinc/37/80/94/194378094.db2.gz GABJVUDWHGWCKI-UHFFFAOYSA-N 0 0 493.611 2.430 40 0 JEABRN O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000004355489 194388297 /nfs/dbraw/zinc/38/82/97/194388297.db2.gz UXRXXHJUUNVZRX-INIZCTEOSA-N 0 0 489.579 2.141 40 0 JEABRN CCC[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000004355817 194388331 /nfs/dbraw/zinc/38/83/31/194388331.db2.gz WEKOQKBWFZBHTC-GHTZIAJQSA-N 0 0 495.573 2.190 40 0 JEABRN CCC[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000004388512 194388655 /nfs/dbraw/zinc/38/86/55/194388655.db2.gz DYAWPMXASXKKGN-RXVVDRJESA-N 0 0 477.583 2.051 40 0 JEABRN COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000004399786 194388936 /nfs/dbraw/zinc/38/89/36/194388936.db2.gz YPKUICDFIRFMSC-LJQANCHMSA-N 0 0 485.566 2.493 40 0 JEABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C ZINC000004409155 194389401 /nfs/dbraw/zinc/38/94/01/194389401.db2.gz MYXAUTJVQZCQMF-UHFFFAOYSA-N 0 0 489.579 2.119 40 0 JEABRN CCc1nnc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2CC)s1 ZINC000006088670 194412108 /nfs/dbraw/zinc/41/21/08/194412108.db2.gz WUNNCUNNNNNWAL-UHFFFAOYSA-N 0 0 467.602 2.481 40 0 JEABRN COc1ccc(-c2nnc3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OC ZINC000009187932 194584565 /nfs/dbraw/zinc/58/45/65/194584565.db2.gz KVYOSSJICBTHSH-ZDLGFXPLSA-N 0 0 455.492 2.409 40 0 JEABRN Nn1c(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)nnc1-c1ccc(Br)cc1 ZINC000009695098 194899410 /nfs/dbraw/zinc/89/94/10/194899410.db2.gz IPCDVCQFVDVICK-UHFFFAOYSA-N 0 0 487.339 2.426 40 0 JEABRN COc1cc(NC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc(OC)c1OC ZINC000009874124 195007696 /nfs/dbraw/zinc/00/76/96/195007696.db2.gz YWFGPDAZOWBFKS-HXUWFJFHSA-N 0 0 457.483 2.229 40 0 JEABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)Cc3ccc4c(c3)OCO4)n2)o1 ZINC000012705651 195092802 /nfs/dbraw/zinc/09/28/02/195092802.db2.gz SMZOIITZCCCRKX-UHFFFAOYSA-N 0 0 488.504 2.315 40 0 JEABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1 ZINC000012716237 195097149 /nfs/dbraw/zinc/09/71/49/195097149.db2.gz GOUXGIZECOHFEV-UZLBHIALSA-N 0 0 470.530 2.498 40 0 JEABRN CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000012716689 195097407 /nfs/dbraw/zinc/09/74/07/195097407.db2.gz UENXZKNANMXJOB-MRXNPFEDSA-N 0 0 455.577 2.413 40 0 JEABRN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1OC ZINC000012881636 195168885 /nfs/dbraw/zinc/16/88/85/195168885.db2.gz IYLCMIBJLPCPBH-UHFFFAOYSA-N 0 0 498.561 2.351 40 0 JEABRN COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc6c(c5)OCO6)C(=O)[C@@H]24)O3)cc1OC ZINC000012893857 195174405 /nfs/dbraw/zinc/17/44/05/195174405.db2.gz YZYGCHOQBUCODP-YCUIJWHHSA-N 0 0 478.501 2.078 40 0 JEABRN CCOc1ccc(C(=O)NCCNC(=O)c2nc(Cn3nc(C)c(Br)c3C)no2)cc1 ZINC000021455207 195301721 /nfs/dbraw/zinc/30/17/21/195301721.db2.gz NRIAMPLRMVPAQK-UHFFFAOYSA-N 0 0 491.346 2.252 40 0 JEABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCC(O)CC2)cc1 ZINC000057589629 195351512 /nfs/dbraw/zinc/35/15/12/195351512.db2.gz VJGBLRHOBFQMSR-HSZRJFAPSA-N 0 0 460.538 2.426 40 0 JEABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCSCC1)OCCO3 ZINC000057595190 195352338 /nfs/dbraw/zinc/35/23/38/195352338.db2.gz GCRZDEJJLXZTFD-JOCHJYFZSA-N 0 0 476.562 2.472 40 0 JEABRN CCOC(=O)C1CCN([C@@H](c2nnnn2CCOC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057608689 195353512 /nfs/dbraw/zinc/35/35/12/195353512.db2.gz CJGLOZOOBUPILX-OAQYLSRUSA-N 0 0 468.558 2.142 40 0 JEABRN COCCn1nnnc1CN(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057615872 195353800 /nfs/dbraw/zinc/35/38/00/195353800.db2.gz LUCZZYNYWLKFLQ-UHFFFAOYSA-N 0 0 478.509 2.101 40 0 JEABRN COCCn1nnnc1CN(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057640562 195354167 /nfs/dbraw/zinc/35/41/67/195354167.db2.gz DIKPDQHMCGAVMZ-UHFFFAOYSA-N 0 0 468.539 2.196 40 0 JEABRN CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cn1ncc2ccccc2c1=O ZINC000057730890 195358944 /nfs/dbraw/zinc/35/89/44/195358944.db2.gz MUNFLEVEZFGWNC-QGZVFWFLSA-N 0 0 465.460 2.493 40 0 JEABRN COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)c4ccco4)CC3)O2)c1 ZINC000096036647 129954824 /nfs/dbraw/zinc/95/48/24/129954824.db2.gz YVRWQYSAWGOGJK-HXUWFJFHSA-N 0 0 450.495 2.331 40 0 JEABRN CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)c1ccccc1O2 ZINC000096268133 130004187 /nfs/dbraw/zinc/00/41/87/130004187.db2.gz UJVYMNSMORETJF-OFNKIYASSA-N 0 0 469.582 2.174 40 0 JEABRN CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NS(=O)(=O)c4cccs4)CO[C@H]23)cc1 ZINC000004235831 518373772 /nfs/dbraw/zinc/37/37/72/518373772.db2.gz SLZMMRVDTYXKPK-BURFUSLBSA-N 0 0 452.510 2.013 40 0 biogenic,in-vitro JEABRN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)c2cccc3cccnc32)n1 ZINC000005433898 519063798 /nfs/dbraw/zinc/06/37/98/519063798.db2.gz UAQIBAVTIQEKER-LVNJIZSUSA-N 0 0 469.567 2.248 40 0 biogenic,in-vitro JEABRN CC(C)CNC(=O)CCn1c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n2c2ccccc2c1=O ZINC000033291964 519733720 /nfs/dbraw/zinc/73/37/20/519733720.db2.gz PEGOYRPMNPMERA-UHFFFAOYSA-N 0 0 496.955 2.265 40 0 JEABRN CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000008708531 519820648 /nfs/dbraw/zinc/82/06/48/519820648.db2.gz MONCMIYCZDZKIB-YJYMSZOUSA-N 0 0 473.507 2.049 40 0 JEABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000020005619 519892552 /nfs/dbraw/zinc/89/25/52/519892552.db2.gz RNENIYGFHFKTGF-IBGZPJMESA-N 0 0 450.557 2.136 40 0 JEABRN CCCn1nnnc1NC(=S)NC(=O)c1cc(I)ccc1Cl ZINC000002399484 519897135 /nfs/dbraw/zinc/89/71/35/519897135.db2.gz OGCJQQTUAMRNFJ-UHFFFAOYSA-N 0 0 450.693 2.468 40 0 JEABRN CCOC(=O)C(=C1NN=C(c2ccccc2)O1)[C@@H]1NC(=N)C(C(=O)OCC)=C(SC)S1 ZINC000016682568 520393423 /nfs/dbraw/zinc/39/34/23/520393423.db2.gz IKCYQIXGDVAUCQ-HJUDDPQBSA-N 0 0 462.553 2.311 40 0 JEABRN CC1(C)O[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](C3N(c4ccccc4)CCN3c3ccccc3)[C@@H]2O1 ZINC000005462124 520614195 /nfs/dbraw/zinc/61/41/95/520614195.db2.gz ZZNMJLXVXYHJTK-ZPFZUWPUSA-N 0 0 476.533 2.307 40 0 JEABRN CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000008678196 520721930 /nfs/dbraw/zinc/72/19/30/520721930.db2.gz KLJVBWUJTDNDMS-JOCHJYFZSA-N 0 0 486.594 2.455 40 0 JEABRN CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1 ZINC000006002206 520784796 /nfs/dbraw/zinc/78/47/96/520784796.db2.gz NPZZUWMDCKICMF-HXUWFJFHSA-N 0 0 469.538 2.098 40 0 JEABRN CCCCOCCOCCOCCOCCOC[C@H](O)COCCOCCOCCCC ZINC000016639112 520788118 /nfs/dbraw/zinc/78/81/18/520788118.db2.gz PGPFNPWFSQKQDU-HSZRJFAPSA-N 0 0 468.628 2.080 40 0 JEABRN CCOC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3c(C)nn(CC)c3C)c(=O)n12 ZINC000022577637 521318278 /nfs/dbraw/zinc/31/82/78/521318278.db2.gz RWVCRHKASXVSNZ-GTCYRLMXSA-N 0 0 466.563 2.082 40 0 JEABRN CCOC(=O)[C@]1(C)N[C@@H](c2ccc(OC)cc2OC)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000019529668 521354124 /nfs/dbraw/zinc/35/41/24/521354124.db2.gz ORWYOZASCLGCCB-UGCAPWQASA-N 0 0 468.506 2.484 40 0 JEABRN CCCc1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000005809324 521405398 /nfs/dbraw/zinc/40/53/98/521405398.db2.gz BRLYMULUBJNKER-BUPNWXMQSA-N 0 0 466.483 2.101 40 0 JEABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1C ZINC000013671217 521546080 /nfs/dbraw/zinc/54/60/80/521546080.db2.gz PFBXHCCEZWIMBE-UHFFFAOYSA-N 0 0 462.524 2.454 40 0 JEABRN CCCn1c2nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)n2c2cc(Cl)ccc2c1=O ZINC000035479998 521640840 /nfs/dbraw/zinc/64/08/40/521640840.db2.gz LGLQOJUMYGUVMI-UHFFFAOYSA-N 0 0 469.885 2.284 40 0 JEABRN CCS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCCO2 ZINC000020482493 521659184 /nfs/dbraw/zinc/65/91/84/521659184.db2.gz QVOROIJAIQIQPS-UHFFFAOYSA-N 0 0 456.524 2.116 40 0 JEABRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000004354189 521851188 /nfs/dbraw/zinc/85/11/88/521851188.db2.gz KTRTVOCRCWEKDE-HNNXBMFYSA-N 0 0 459.503 2.294 40 0 JEABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000014595087 521899740 /nfs/dbraw/zinc/89/97/40/521899740.db2.gz SEILEMWKUOVXBU-UHFFFAOYSA-N 0 0 452.485 2.002 40 0 JEABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000020245859 521956464 /nfs/dbraw/zinc/95/64/64/521956464.db2.gz QZMQKJQMIJJAKU-SFHVURJKSA-N 0 0 460.556 2.090 40 0 JEABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020033056 521980500 /nfs/dbraw/zinc/98/05/00/521980500.db2.gz KEOALXLLSODLGR-UHFFFAOYSA-N 0 0 493.651 2.361 40 0 JEABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000014823994 521981119 /nfs/dbraw/zinc/98/11/19/521981119.db2.gz OFKZLJIXSXIZRD-UHFFFAOYSA-N 0 0 454.888 2.172 40 0 JEABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044948108 521990311 /nfs/dbraw/zinc/99/03/11/521990311.db2.gz WKBXMUVZNGMNMV-UHFFFAOYSA-N 0 0 477.608 2.065 40 0 JEABRN 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556282230 /nfs/dbraw/zinc/28/22/30/556282230.db2.gz IJJFCHCPPWUUDI-HXUWFJFHSA-N 0 0 472.517 2.266 40 0 JEABRN COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000013085270 556283468 /nfs/dbraw/zinc/28/34/68/556283468.db2.gz KBKJIMWINKEYQF-QFIPXVFZSA-N 0 0 452.555 2.233 40 0 JEABRN COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3cccc(C)c3)CC2)cc1OC ZINC000013085452 556284361 /nfs/dbraw/zinc/28/43/61/556284361.db2.gz VHQXNUAIXBEJAX-QFIPXVFZSA-N 0 0 467.566 2.480 40 0 JEABRN C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013103075 556304594 /nfs/dbraw/zinc/30/45/94/556304594.db2.gz RLBJMXHHBOVXJW-NTDBWNAOSA-N 0 0 480.583 2.332 40 0 JEABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000027915346 556310243 /nfs/dbraw/zinc/31/02/43/556310243.db2.gz IMTSIBFVBTYUSI-UHFFFAOYSA-N 0 0 452.916 2.165 40 0 JEABRN O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl ZINC000019203581 556333928 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CCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036625607 569778889 /nfs/dbraw/zinc/77/88/89/569778889.db2.gz BHDCRIGCSPGUBY-QFIPXVFZSA-N 0 0 491.997 2.259 40 0 JEABRN Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)N3CCOCC3)CC2)cc1 ZINC000101457548 569798385 /nfs/dbraw/zinc/79/83/85/569798385.db2.gz XHBZRHHQUATBHC-FUPPJEDESA-N 0 0 493.670 2.469 40 0 JEABRN O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)NCCc1ccccc1 ZINC000101480308 569799067 /nfs/dbraw/zinc/79/90/67/569799067.db2.gz KJHMEHQCGZNGJA-OYRHEFFESA-N 0 0 457.596 2.246 40 0 JEABRN CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NC[C@H]1CCCO1 ZINC000101479352 569799117 /nfs/dbraw/zinc/79/91/17/569799117.db2.gz AAVYRFFKXARFRU-DYQZNNLLSA-N 0 0 479.643 2.207 40 0 JEABRN CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NC[C@@H]1CCCO1 ZINC000101479357 569799126 /nfs/dbraw/zinc/79/91/26/569799126.db2.gz AAVYRFFKXARFRU-IIZPIQPGSA-N 0 0 479.643 2.207 40 0 JEABRN 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ZINC000138643214 569866126 /nfs/dbraw/zinc/86/61/26/569866126.db2.gz PDQVHRLYUXWRKA-HNNXBMFYSA-N 0 0 455.467 2.197 40 0 JEABRN COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1OC ZINC000138949051 569866722 /nfs/dbraw/zinc/86/67/22/569866722.db2.gz MVZQRWBSHHIJFW-HNNXBMFYSA-N 0 0 489.912 2.341 40 0 JEABRN COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1OC ZINC000139048829 569866895 /nfs/dbraw/zinc/86/68/95/569866895.db2.gz PYRKWJYDFNTJFP-AWEZNQCLSA-N 0 0 475.885 2.032 40 0 JEABRN COc1ccc(Cl)cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000197522719 569873675 /nfs/dbraw/zinc/87/36/75/569873675.db2.gz BANQMQIEXCUQLQ-UHFFFAOYSA-N 0 0 465.959 2.268 40 0 JEABRN COc1cc(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1O ZINC000214298701 569876549 /nfs/dbraw/zinc/87/65/49/569876549.db2.gz PFJXYSZDPTXQON-NTUHNPAUSA-N 0 0 457.302 2.058 40 0 JEABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222426967 569884230 /nfs/dbraw/zinc/88/42/30/569884230.db2.gz LCFWJJKCMQPIFN-GOSISDBHSA-N 0 0 489.594 2.433 40 0 JEABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222435816 569884292 /nfs/dbraw/zinc/88/42/92/569884292.db2.gz OXLUAKVUNPJMRW-INIZCTEOSA-N 0 0 451.976 2.432 40 0 JEABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222563462 569885853 /nfs/dbraw/zinc/88/58/53/569885853.db2.gz JDNIDYBXKILHQE-OAHLLOKOSA-N 0 0 479.986 2.472 40 0 JEABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222561475 569885855 /nfs/dbraw/zinc/88/58/55/569885855.db2.gz JSPKEJZIOADLKC-CQSZACIVSA-N 0 0 455.939 2.408 40 0 JEABRN Cc1nc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)n[nH]1 ZINC000222564157 569885866 /nfs/dbraw/zinc/88/58/66/569885866.db2.gz LOGWYOCSSNMCDQ-QGZVFWFLSA-N 0 0 451.618 2.348 40 0 JEABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000222563536 569885876 /nfs/dbraw/zinc/88/58/76/569885876.db2.gz JDNIDYBXKILHQE-HNNXBMFYSA-N 0 0 479.986 2.472 40 0 JEABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)CC2)cc1 ZINC000222577225 569886197 /nfs/dbraw/zinc/88/61/97/569886197.db2.gz BBRSRUGYRQBQAF-UHFFFAOYSA-N 0 0 495.623 2.341 40 0 JEABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCSc2nc[nH]n2)C1 ZINC000222608141 569886893 /nfs/dbraw/zinc/88/68/93/569886893.db2.gz JIKIGLFCKDWQJT-CYBMUJFWSA-N 0 0 474.008 2.166 40 0 JEABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222616955 569887049 /nfs/dbraw/zinc/88/70/49/569887049.db2.gz HSZUXPVYMLEPAU-INIZCTEOSA-N 0 0 493.557 2.264 40 0 JEABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000222636354 569887470 /nfs/dbraw/zinc/88/74/70/569887470.db2.gz YECRMRUNGKIYQS-UHFFFAOYSA-N 0 0 467.547 2.253 40 0 JEABRN CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(N4C(=O)CCC4=O)c3)n2)cc1 ZINC000222645480 569887683 /nfs/dbraw/zinc/88/76/83/569887683.db2.gz IFYKDQZYFZMNPX-UHFFFAOYSA-N 0 0 486.506 2.276 40 0 JEABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222660180 569887936 /nfs/dbraw/zinc/88/79/36/569887936.db2.gz NMQKASMRZHKWNB-GFCCVEGCSA-N 0 0 484.361 2.301 40 0 JEABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCCOC)cc1 ZINC000222715267 569889406 /nfs/dbraw/zinc/88/94/06/569889406.db2.gz QSKNUHPQWPWJDD-IBGZPJMESA-N 0 0 475.611 2.097 40 0 JEABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1 ZINC000222722578 569889586 /nfs/dbraw/zinc/88/95/86/569889586.db2.gz ALAAZFCDHOQGBX-FQEVSTJZSA-N 0 0 462.524 2.111 40 0 JEABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1OC ZINC000222730223 569889730 /nfs/dbraw/zinc/88/97/30/569889730.db2.gz FQBMLCRVMKGMQA-UHFFFAOYSA-N 0 0 463.556 2.491 40 0 JEABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(C)n3)cc2)c1 ZINC000222735847 569889923 /nfs/dbraw/zinc/88/99/23/569889923.db2.gz RMMMHJQMFGYOLP-UHFFFAOYSA-N 0 0 477.568 2.210 40 0 JEABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739567 569889953 /nfs/dbraw/zinc/88/99/53/569889953.db2.gz KPKULCLTCMPHSZ-MRXNPFEDSA-N 0 0 451.976 2.265 40 0 JEABRN C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739508 569889961 /nfs/dbraw/zinc/88/99/61/569889961.db2.gz KPKULCLTCMPHSZ-INIZCTEOSA-N 0 0 451.976 2.265 40 0 JEABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222756566 569890394 /nfs/dbraw/zinc/89/03/94/569890394.db2.gz UQVLODKVSNPRKC-LBPRGKRZSA-N 0 0 484.361 2.301 40 0 JEABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)c1 ZINC000222761367 569890443 /nfs/dbraw/zinc/89/04/43/569890443.db2.gz HNWWGRUEMAFLCI-UHFFFAOYSA-N 0 0 483.612 2.163 40 0 JEABRN Cc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222765878 569890571 /nfs/dbraw/zinc/89/05/71/569890571.db2.gz LBRVYNAOFNFZLU-KRWDZBQOSA-N 0 0 471.579 2.472 40 0 JEABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)c(C)c1 ZINC000222790822 569891137 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0 JEABRN COC(=O)c1ccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 ZINC000009187941 554960462 /nfs/dbraw/zinc/96/04/62/554960462.db2.gz FCGCOTHHNWSRCZ-MFOYZWKCSA-N 0 0 453.476 2.178 40 0 JEABRN CCC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150960 555357340 /nfs/dbraw/zinc/35/73/40/555357340.db2.gz SGRLHFUTHJEIJO-UHFFFAOYSA-N 0 0 455.577 2.499 40 0 JEABRN CCC(C)(C)NC(=O)[C@H](C(C)C)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013150931 555357360 /nfs/dbraw/zinc/35/73/60/555357360.db2.gz HMYUXCCERJZZDY-RXVVDRJESA-N 0 0 467.632 2.302 40 0 JEABRN CCC[C@H](C(=O)NCc1ccco1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150978 555357725 /nfs/dbraw/zinc/35/77/25/555357725.db2.gz MBVVNSXCVKRSOJ-TZIWHRDSSA-N 0 0 495.573 2.190 40 0 JEABRN CC(C)[C@H](C(=O)NCc1ccco1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150982 555357769 /nfs/dbraw/zinc/35/77/69/555357769.db2.gz IVPFGUSECMYAQB-DENIHFKCSA-N 0 0 495.573 2.046 40 0 JEABRN CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013151046 555358194 /nfs/dbraw/zinc/35/81/94/555358194.db2.gz KKDDHGCOSNPCCU-AVRDEDQJSA-N 0 0 493.651 2.375 40 0 JEABRN COCCNC(=O)[C@@H](c1ccc(C)cc1)N(CCOC)C(=O)CCC(=O)Nc1nccs1 ZINC000013151103 555358508 /nfs/dbraw/zinc/35/85/08/555358508.db2.gz CROIGVGBGBCKAI-HXUWFJFHSA-N 0 0 462.572 2.149 40 0 JEABRN c1ccc(-n2nnnc2Sc2nc3nonc3nc2Sc2nnnn2-c2ccccc2)cc1 ZINC000013306030 555374921 /nfs/dbraw/zinc/37/49/21/555374921.db2.gz BPAXLBXIYBFCOR-UHFFFAOYSA-N 0 0 474.495 2.267 40 0 JEABRN CCOC(=O)[C@H]1C(c2ccccc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000013407945 555396984 /nfs/dbraw/zinc/39/69/84/555396984.db2.gz UALBMALJKYZROX-HJUPKNEGSA-N 0 0 473.366 2.234 40 0 JEABRN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)cc2C1=O ZINC000009701295 555427513 /nfs/dbraw/zinc/42/75/13/555427513.db2.gz PTOSMAYZHMKHJM-UHFFFAOYSA-N 0 0 453.451 2.073 40 0 JEABRN COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c(OC)c1 ZINC000013501958 555452317 /nfs/dbraw/zinc/45/23/17/555452317.db2.gz QIIYOAUMPOEKGF-INIZCTEOSA-N 0 0 476.555 2.207 40 0 JEABRN COc1cccc(-n2c3nnc(SCC(=O)NC[C@H]4CCCO4)n3c3ccccc3c2=O)c1 ZINC000009616901 555454466 /nfs/dbraw/zinc/45/44/66/555454466.db2.gz BCTUVDOWTZXJHE-QGZVFWFLSA-N 0 0 465.535 2.429 40 0 JEABRN Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@H]2CCCO2)[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000013502895 555458177 /nfs/dbraw/zinc/45/81/77/555458177.db2.gz OKGZXSHMOVPHNN-NQIIRXRSSA-N 0 0 467.632 2.220 40 0 JEABRN Cc1ccc(S(=O)(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@@H](C(=O)NC(C)(C)C)C(C)C)cc1 ZINC000013502892 555458181 /nfs/dbraw/zinc/45/81/81/555458181.db2.gz OKGZXSHMOVPHNN-GHTZIAJQSA-N 0 0 467.632 2.220 40 0 JEABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2Cl)cc1 ZINC000013502913 555458182 /nfs/dbraw/zinc/45/81/82/555458182.db2.gz POVDDLFERJGTTC-LJQANCHMSA-N 0 0 494.013 2.251 40 0 JEABRN CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000013502920 555458186 /nfs/dbraw/zinc/45/81/86/555458186.db2.gz RNFFGSJLYVQMDN-UHFFFAOYSA-N 0 0 489.594 2.336 40 0 JEABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(OC)cc1)C1CCCC1 ZINC000013502990 555458730 /nfs/dbraw/zinc/45/87/30/555458730.db2.gz CBSDHPSXHLGUSI-NRFANRHFSA-N 0 0 477.583 2.433 40 0 JEABRN CCC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503095 555459288 /nfs/dbraw/zinc/45/92/88/555459288.db2.gz PWEZLXRPXNHXCN-UHFFFAOYSA-N 0 0 493.557 2.166 40 0 JEABRN CC(=O)c1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000013505895 555468535 /nfs/dbraw/zinc/46/85/35/555468535.db2.gz RUAMQLCLJMROGG-LJQANCHMSA-N 0 0 456.499 2.233 40 0 JEABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506980 555474838 /nfs/dbraw/zinc/47/48/38/555474838.db2.gz MYQKQBVWQXRUNS-QFIPXVFZSA-N 0 0 473.501 2.340 40 0 JEABRN COCCNC(=O)[C@H](c1ccncc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013509297 555481034 /nfs/dbraw/zinc/48/10/34/555481034.db2.gz MIFJJSFDZCRBMZ-VWLOTQADSA-N 0 0 472.549 2.402 40 0 JEABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](C)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013510395 555482340 /nfs/dbraw/zinc/48/23/40/555482340.db2.gz ZEOCTAOAZJBHRP-UZLBHIALSA-N 0 0 456.547 2.038 40 0 JEABRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2C=CC3[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]32)cc1 ZINC000013562115 555496234 /nfs/dbraw/zinc/49/62/34/555496234.db2.gz XJVPSXCUYRESEV-LXIAHWLOSA-N 0 0 458.470 2.431 40 0 JEABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000019867586 555521723 /nfs/dbraw/zinc/52/17/23/555521723.db2.gz VNWQGXLVOFIJNC-UHFFFAOYSA-N 0 0 474.535 2.440 40 0 JEABRN COc1ccccc1N1CCN(S(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)CC1 ZINC000013585796 555523942 /nfs/dbraw/zinc/52/39/42/555523942.db2.gz VHFSWZCYVNVNLH-UHFFFAOYSA-N 0 0 461.565 2.245 40 0 JEABRN Cc1ccnc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)n1 ZINC000013611332 555534288 /nfs/dbraw/zinc/53/42/88/555534288.db2.gz HCDBAIVVZHMKBO-UHFFFAOYSA-N 0 0 452.540 2.212 40 0 JEABRN CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)CC1 ZINC000019935400 555552546 /nfs/dbraw/zinc/55/25/46/555552546.db2.gz IOFIXMRYXFKDJL-UHFFFAOYSA-N 0 0 458.964 2.305 40 0 JEABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)CC2)cc1 ZINC000013669332 555559068 /nfs/dbraw/zinc/55/90/68/555559068.db2.gz AOHDRTILNFOSKU-HXUWFJFHSA-N 0 0 493.651 2.299 40 0 JEABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1C(=O)N1CCOCC1 ZINC000013671339 555562885 /nfs/dbraw/zinc/56/28/85/555562885.db2.gz HEQVIIHNAXHQIS-UHFFFAOYSA-N 0 0 478.567 2.442 40 0 JEABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCN2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000013677896 555568861 /nfs/dbraw/zinc/56/88/61/555568861.db2.gz TYNGLCSYZFBBKU-UHFFFAOYSA-N 0 0 451.976 2.368 40 0 JEABRN CCc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000019961879 555572786 /nfs/dbraw/zinc/57/27/86/555572786.db2.gz GDMVXUYLRKZLQF-QHCPKHFHSA-N 0 0 498.027 2.380 40 0 JEABRN COc1ccc(CNC(=O)CSC(Nc2ccc(OC)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974062 555576803 /nfs/dbraw/zinc/57/68/03/555576803.db2.gz UZVDSSKUSPAVBM-UHFFFAOYSA-N 0 0 498.561 2.427 40 0 JEABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)CC1 ZINC000009974572 555579714 /nfs/dbraw/zinc/57/97/14/555579714.db2.gz UCCGRAQJMFQCBM-GOSISDBHSA-N 0 0 452.573 2.206 40 0 JEABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl ZINC000009974693 555580183 /nfs/dbraw/zinc/58/01/83/555580183.db2.gz XMOHSQQGQYSOSB-ZDUSSCGKSA-N 0 0 487.987 2.035 40 0 JEABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1Cl ZINC000009974694 555580214 /nfs/dbraw/zinc/58/02/14/555580214.db2.gz XMOHSQQGQYSOSB-CYBMUJFWSA-N 0 0 487.987 2.035 40 0 JEABRN CC(=O)N[C@H]1[C@@H](Oc2ccc(Cl)cc2Cl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000009974868 555580815 /nfs/dbraw/zinc/58/08/15/555580815.db2.gz XPAAADFOPLSXHD-MDMHHNQBSA-N 0 0 492.308 2.028 40 0 JEABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000020013055 555589166 /nfs/dbraw/zinc/58/91/66/555589166.db2.gz BPXKSXNPZVKQPX-CQSZACIVSA-N 0 0 452.529 2.219 40 0 JEABRN CC[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715633 555593103 /nfs/dbraw/zinc/59/31/03/555593103.db2.gz UKLZDAMTRVGTSS-GOSISDBHSA-N 0 0 457.549 2.405 40 0 JEABRN O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000010040317 555604988 /nfs/dbraw/zinc/60/49/88/555604988.db2.gz DNPZPGSPLRQHQD-UHFFFAOYSA-N 0 0 496.541 2.086 40 0 JEABRN Cc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(Br)cc2)cc1C ZINC000010040579 555605413 /nfs/dbraw/zinc/60/54/13/555605413.db2.gz GIMXWEWAJLEVQM-UHFFFAOYSA-N 0 0 461.312 2.338 40 0 JEABRN NS(=O)(=O)c1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000020032977 555608165 /nfs/dbraw/zinc/60/81/65/555608165.db2.gz XZBMVAUKXQYXCN-UHFFFAOYSA-N 0 0 487.603 2.062 40 0 JEABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000020038632 555612483 /nfs/dbraw/zinc/61/24/83/555612483.db2.gz XGWAQWNHUXTADJ-HNNXBMFYSA-N 0 0 484.575 2.083 40 0 JEABRN COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000020104106 555636220 /nfs/dbraw/zinc/63/62/20/555636220.db2.gz WYFPBTJPLWDPRJ-UHFFFAOYSA-N 0 0 487.416 2.403 40 0 JEABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)cc1 ZINC000013858327 555636787 /nfs/dbraw/zinc/63/67/87/555636787.db2.gz LMZCNBBTARREJG-UHFFFAOYSA-N 0 0 475.596 2.066 40 0 JEABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC ZINC000020106511 555640317 /nfs/dbraw/zinc/64/03/17/555640317.db2.gz SBJIQSDYFLDSKI-CQSZACIVSA-N 0 0 450.513 2.118 40 0 JEABRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020110578 555646982 /nfs/dbraw/zinc/64/69/82/555646982.db2.gz RZBXTRPLBRSIIY-UHFFFAOYSA-N 0 0 494.573 2.426 40 0 JEABRN CCOc1ccc(C(=O)C2C(C(=O)OC)=Nc3nnnn3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000010232128 555656219 /nfs/dbraw/zinc/65/62/19/555656219.db2.gz DIVLKKIPBGYILI-FQEVSTJZSA-N 0 0 465.466 2.414 40 0 JEABRN C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nnnn2-c2ccccc2)C1 ZINC000010248899 555660312 /nfs/dbraw/zinc/66/03/12/555660312.db2.gz PLFDKSLLBOASJI-HZPDHXFCSA-N 0 0 495.613 2.064 40 0 JEABRN O=C(CNC(=O)c1ccco1)N(CCN1CCOCC1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000020142435 555663542 /nfs/dbraw/zinc/66/35/42/555663542.db2.gz CTABXSSTISZAES-QFIPXVFZSA-N 0 0 488.610 2.032 40 0 JEABRN CCOC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(O)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150489 555666648 /nfs/dbraw/zinc/66/66/48/555666648.db2.gz QIDVKKCVGKUXFR-FBROZUCGSA-N 0 0 452.507 2.211 40 0 JEABRN CCc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300693 555677549 /nfs/dbraw/zinc/67/75/49/555677549.db2.gz YHISOUDSSMEXOC-UHFFFAOYSA-N 0 0 473.595 2.485 40 0 JEABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1 ZINC000010314167 555679634 /nfs/dbraw/zinc/67/96/34/555679634.db2.gz ODSTYBQMTQMPIS-UHFFFAOYSA-N 0 0 480.612 2.253 40 0 JEABRN Cc1ccc(NC(=S)N2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000010339331 555693859 /nfs/dbraw/zinc/69/38/59/555693859.db2.gz RZYVCLQZDCPIFL-NRFANRHFSA-N 0 0 451.596 2.231 40 0 JEABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000014154425 555711577 /nfs/dbraw/zinc/71/15/77/555711577.db2.gz MWOJPJNXSDIZMX-SFHVURJKSA-N 0 0 495.623 2.118 40 0 JEABRN CN(C)S(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 ZINC000020245424 555741263 /nfs/dbraw/zinc/74/12/63/555741263.db2.gz NCGVGFWAWBBMFJ-RMKNXTFCSA-N 0 0 460.575 2.296 40 0 JEABRN Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000011402173 555777633 /nfs/dbraw/zinc/77/76/33/555777633.db2.gz NRNICVVJQOBACL-IEZWGBDMSA-N 0 0 452.573 2.256 40 0 JEABRN 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CCOc1ccc(NC(=S)N2CCNC(=O)[C@H]2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000022738823 555948371 /nfs/dbraw/zinc/94/83/71/555948371.db2.gz NMHBPUYYBWZRFB-JOCHJYFZSA-N 0 0 481.622 2.321 40 0 JEABRN CCS(=O)(=O)N(C(=O)C(C)C)c1ccc2c(c1)c(C(=O)OC)c(C)n2S(=O)(=O)CC ZINC000012275457 555948759 /nfs/dbraw/zinc/94/87/59/555948759.db2.gz WTPKZFXUKNAARM-UHFFFAOYSA-N 0 0 458.558 2.273 40 0 JEABRN O=C([C@@H]1COc2ccccc2O1)N1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000022747398 555951805 /nfs/dbraw/zinc/95/18/05/555951805.db2.gz RJYVTJQLMKPTGZ-XLIONFOSSA-N 0 0 489.450 2.322 40 0 JEABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)CN21)NCc1ccc(F)cc1 ZINC000015707680 555952874 /nfs/dbraw/zinc/95/28/74/555952874.db2.gz RUWOKYYNWRDDOR-OTWHNJEPSA-N 0 0 459.547 2.047 40 0 biogenic,in-vitro JEABRN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)CN21)N1CCc2ccccc21 ZINC000015707616 555952960 /nfs/dbraw/zinc/95/29/60/555952960.db2.gz WARFOSICVUUDIR-VWPQPMDRSA-N 0 0 463.607 2.284 40 0 biogenic,in-vitro 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COc1cc(C(=O)N2CCN(C(=O)[C@H](Cc3cc(C)ccc3C)NC(C)=O)CC2)cc(OC)c1OC ZINC000006551714 554550963 /nfs/dbraw/zinc/55/09/63/554550963.db2.gz NDRCVUONWHZQCH-QFIPXVFZSA-N 0 0 497.592 2.361 40 0 JEABRN Cc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)s1 ZINC000006552185 554551202 /nfs/dbraw/zinc/55/12/02/554551202.db2.gz ZRIALGWJOMDBSO-UHFFFAOYSA-N 0 0 479.613 2.157 40 0 JEABRN CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(O)cc1 ZINC000006600067 554555036 /nfs/dbraw/zinc/55/50/36/554555036.db2.gz NFKAAJSTSPSHTP-IBGZPJMESA-N 0 0 489.598 2.199 40 0 JEABRN CC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006632179 554557436 /nfs/dbraw/zinc/55/74/36/554557436.db2.gz AJVYIPLODNJAMD-GFCCVEGCSA-N 0 0 463.560 2.182 40 0 JEABRN COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006905052 554561102 /nfs/dbraw/zinc/56/11/02/554561102.db2.gz DETORQXMWXQCRL-IBGZPJMESA-N 0 0 485.541 2.110 40 0 JEABRN CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000008253639 554564403 /nfs/dbraw/zinc/56/44/03/554564403.db2.gz DRUJBOVJCAENTP-CJRSTVEYSA-N 0 0 495.605 2.276 40 0 biogenic,in-vitro JEABRN COCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000008873524 554770217 /nfs/dbraw/zinc/77/02/17/554770217.db2.gz BWICMQXWYAYUOQ-UHFFFAOYSA-N 0 0 457.346 2.416 40 0 JEABRN COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@@H]24)O3)cc(OC)c1OC ZINC000009059494 554878368 /nfs/dbraw/zinc/87/83/68/554878368.db2.gz XACIRPTZHLKPIE-CJQNEGCDSA-N 0 0 494.500 2.362 40 0 JEABRN CCOC(=O)C=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1Cc1cc(C(C)=O)ccc1OC ZINC000009244863 555020251 /nfs/dbraw/zinc/02/02/51/555020251.db2.gz VWHZKMYSPWUEOC-PJXZWKSXSA-N 0 0 497.569 2.359 40 0 JEABRN COc1ccc([C@@H]2NC3=NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000009262548 555037554 /nfs/dbraw/zinc/03/75/54/555037554.db2.gz SOONSXUMBNMHLE-HSZRJFAPSA-N 0 0 461.570 2.310 40 0 JEABRN CC(C)[C@H](C(=O)NCc1ccccc1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013150928 555357148 /nfs/dbraw/zinc/35/71/48/555357148.db2.gz AHORUBVHQPDXMJ-ZJSXRUAMSA-N 0 0 487.622 2.314 40 0 JEABRN O=C(CN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000013150964 555357352 /nfs/dbraw/zinc/35/73/52/555357352.db2.gz BXXAPPXZVRZCGH-IBGZPJMESA-N 0 0 497.976 2.081 40 0 JEABRN CCC[C@@H](C(=O)NCc1ccco1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150979 555357671 /nfs/dbraw/zinc/35/76/71/555357671.db2.gz MBVVNSXCVKRSOJ-CTNGQTDRSA-N 0 0 495.573 2.190 40 0 JEABRN CCC[C@@H](C(=O)NCc1ccco1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150977 555357695 /nfs/dbraw/zinc/35/76/95/555357695.db2.gz MBVVNSXCVKRSOJ-FPOVZHCZSA-N 0 0 495.573 2.190 40 0 JEABRN CC(C)[C@@H](C(=O)NCc1ccco1)N(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013150981 555357795 /nfs/dbraw/zinc/35/77/95/555357795.db2.gz IVPFGUSECMYAQB-UGKGYDQZSA-N 0 0 495.573 2.046 40 0 JEABRN O=C1C[C@@H](Sc2ncccn2)C(=O)N1c1ccc(N2C(=O)C[C@@H](Sc3ncccn3)C2=O)cc1 ZINC000013370711 555391996 /nfs/dbraw/zinc/39/19/96/555391996.db2.gz YWNSIJZCPHBLAT-HZPDHXFCSA-N 0 0 492.542 2.115 40 0 JEABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496018 555410405 /nfs/dbraw/zinc/41/04/05/555410405.db2.gz QJIDRDNNZQDJSX-IBGZPJMESA-N 0 0 456.547 2.030 40 0 JEABRN CCC[C@@H](c1nnnn1CC(=O)OCC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501051 555446856 /nfs/dbraw/zinc/44/68/56/555446856.db2.gz HHDZHNIBBMFRFM-FQEVSTJZSA-N 0 0 470.574 2.420 40 0 JEABRN O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000013502783 555457236 /nfs/dbraw/zinc/45/72/36/555457236.db2.gz BFJUPQIRMHAQCC-UHFFFAOYSA-N 0 0 471.604 2.414 40 0 JEABRN CC[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000013502826 555457570 /nfs/dbraw/zinc/45/75/70/555457570.db2.gz YDFYDBFABPQDLH-CTNGQTDRSA-N 0 0 477.558 2.211 40 0 JEABRN Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2Cl)cc1 ZINC000013502912 555458198 /nfs/dbraw/zinc/45/81/98/555458198.db2.gz POVDDLFERJGTTC-IBGZPJMESA-N 0 0 494.013 2.251 40 0 JEABRN Cc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 ZINC000013503142 555459605 /nfs/dbraw/zinc/45/96/05/555459605.db2.gz HLOKYEPJBLJYQW-UHFFFAOYSA-N 0 0 459.499 2.355 40 0 JEABRN CC[C@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000013503180 555459834 /nfs/dbraw/zinc/45/98/34/555459834.db2.gz NBMGSMDMVUCULY-UYAOXDASSA-N 0 0 486.034 2.463 40 0 JEABRN O=C(CN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000013503198 555459881 /nfs/dbraw/zinc/45/98/81/555459881.db2.gz XUJHRWVLUQJMPG-IBGZPJMESA-N 0 0 497.976 2.081 40 0 JEABRN CC(C)[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503331 555460462 /nfs/dbraw/zinc/46/04/62/555460462.db2.gz OYBWUKVSCXBGPO-ZJSXRUAMSA-N 0 0 487.622 2.314 40 0 JEABRN CC[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013503325 555460474 /nfs/dbraw/zinc/46/04/74/555460474.db2.gz PZEMWQKFYKQWSI-RBBKRZOGSA-N 0 0 473.595 2.068 40 0 JEABRN CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013506587 555472625 /nfs/dbraw/zinc/47/26/25/555472625.db2.gz YEZSSQODUBKLIK-JOCHJYFZSA-N 0 0 473.501 2.340 40 0 JEABRN O=C(CNC(=O)c1ccco1)N(CCN1CCOCC1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013507804 555476970 /nfs/dbraw/zinc/47/69/70/555476970.db2.gz AIMJWMGDCLGFAR-RUZDIDTESA-N 0 0 496.608 2.360 40 0 JEABRN COCCNC(=O)[C@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013508629 555479077 /nfs/dbraw/zinc/47/90/77/555479077.db2.gz CZCSFHKGPWVWHA-IERDGZPVSA-N 0 0 457.556 2.004 40 0 JEABRN COCCNC(=O)[C@@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013508631 555479117 /nfs/dbraw/zinc/47/91/17/555479117.db2.gz CZCSFHKGPWVWHA-IIBYNOLFSA-N 0 0 457.556 2.004 40 0 JEABRN COCCNC(=O)[C@H](c1ccc(C)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013508940 555479970 /nfs/dbraw/zinc/47/99/70/555479970.db2.gz BWSJEAYBNJJVKK-YKSBVNFPSA-N 0 0 465.554 2.251 40 0 JEABRN COCCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013509305 555481027 /nfs/dbraw/zinc/48/10/27/555481027.db2.gz RHXLSBVPKBMDHD-DEOSSOPVSA-N 0 0 488.504 2.092 40 0 JEABRN COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013509327 555481111 /nfs/dbraw/zinc/48/11/11/555481111.db2.gz VERQARVGLMPHDZ-XMMPIXPASA-N 0 0 474.521 2.372 40 0 JEABRN COCCn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013510383 555482347 /nfs/dbraw/zinc/48/23/47/555482347.db2.gz XYZXXRKBUJHUOR-UHFFFAOYSA-N 0 0 478.509 2.101 40 0 JEABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NCCCN1CCOCC1)OCCO3 ZINC000013556806 555494093 /nfs/dbraw/zinc/49/40/93/555494093.db2.gz UFZQWVGHVNZOAK-UHFFFAOYSA-N 0 0 498.605 2.491 40 0 JEABRN CC(=O)N[C@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013564854 555500022 /nfs/dbraw/zinc/50/00/22/555500022.db2.gz NHWJBAKKLUSOJU-HSZRJFAPSA-N 0 0 482.606 2.195 40 0 JEABRN CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000013564843 555500106 /nfs/dbraw/zinc/50/01/06/555500106.db2.gz NFNXLMSIUHEWBZ-QFIPXVFZSA-N 0 0 479.549 2.290 40 0 JEABRN CC(=O)N[C@@H](Cc1cccn1C)C(=O)NC1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000013564853 555500161 /nfs/dbraw/zinc/50/01/61/555500161.db2.gz NHWJBAKKLUSOJU-QHCPKHFHSA-N 0 0 482.606 2.195 40 0 JEABRN CN(C)S(=O)(=O)c1ccc(N2CCC(CNS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000013565367 555501489 /nfs/dbraw/zinc/50/14/89/555501489.db2.gz JWCCIGGDAWCWAW-UHFFFAOYSA-N 0 0 451.614 2.273 40 0 JEABRN CN(c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937846 555554556 /nfs/dbraw/zinc/55/45/56/555554556.db2.gz DCZDBPYHKKKRGX-UHFFFAOYSA-N 0 0 475.548 2.177 40 0 JEABRN COC(=O)C1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000013668700 555557747 /nfs/dbraw/zinc/55/77/47/555557747.db2.gz SGIMKHGJKKUXPO-UHFFFAOYSA-N 0 0 476.551 2.311 40 0 JEABRN O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCc1ccco1)OCO3 ZINC000019940500 555558901 /nfs/dbraw/zinc/55/89/01/555558901.db2.gz AJERPYKOINRWSQ-UHFFFAOYSA-N 0 0 484.578 2.449 40 0 JEABRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Br ZINC000013669507 555559452 /nfs/dbraw/zinc/55/94/52/555559452.db2.gz WBJCTOAPCBKHKX-UHFFFAOYSA-N 0 0 489.413 2.461 40 0 JEABRN Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000019941138 555560063 /nfs/dbraw/zinc/56/00/63/555560063.db2.gz CWMMHKYJPVYMBD-UUWRZZSWSA-N 0 0 487.578 2.359 40 0 JEABRN COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000013683279 555576887 /nfs/dbraw/zinc/57/68/87/555576887.db2.gz PHBDVUYLXFVVIP-KRWDZBQOSA-N 0 0 475.567 2.111 40 0 JEABRN COc1ccc(OC)c(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000020002545 555577494 /nfs/dbraw/zinc/57/74/94/555577494.db2.gz IRIDTDSTHJZYNY-UHFFFAOYSA-N 0 0 454.570 2.357 40 0 JEABRN CC(=O)N[C@@H]1[C@@H](Oc2ccc(Cl)cc2Cl)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000009974871 555580800 /nfs/dbraw/zinc/58/08/00/555580800.db2.gz XPAAADFOPLSXHD-OMZCGLGVSA-N 0 0 492.308 2.028 40 0 JEABRN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c3ccccc3)cc2)cc1 ZINC000010000470 555589819 /nfs/dbraw/zinc/58/98/19/555589819.db2.gz XAXYLDLTOSBYCK-UHFFFAOYSA-N 0 0 488.496 2.486 40 0 JEABRN Cn1c2nc(Sc3nnc(N)s3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000010002977 555590619 /nfs/dbraw/zinc/59/06/19/555590619.db2.gz UJBWSVWFXGTQQD-UHFFFAOYSA-N 0 0 470.367 2.374 40 0 JEABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715484 555592705 /nfs/dbraw/zinc/59/27/05/555592705.db2.gz WPLLQFKGLZEKQA-HXUWFJFHSA-N 0 0 499.586 2.030 40 0 JEABRN CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715566 555593142 /nfs/dbraw/zinc/59/31/42/555593142.db2.gz ZTZANBOUUGXCRZ-HXUWFJFHSA-N 0 0 477.558 2.443 40 0 JEABRN 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