smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3[C@H](C)COC[C@@H]3C)C2)cc1 ZINC000022258870 230909425 /nfs/dbraw/zinc/90/94/25/230909425.db2.gz SZLQRNACDUHCSM-IXDOHACOSA-N 0 0 380.510 2.032 40 0 GEABRN COCCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000022273860 230910108 /nfs/dbraw/zinc/91/01/08/230910108.db2.gz WKRBICURXKWNSE-UHFFFAOYSA-N 0 0 376.478 2.343 40 0 GEABRN COc1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000408546577 231056425 /nfs/dbraw/zinc/05/64/25/231056425.db2.gz FLLMURKODOIARL-HNNXBMFYSA-N 0 0 376.478 2.475 40 0 GEABRN COC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408616722 231080812 /nfs/dbraw/zinc/08/08/12/231080812.db2.gz HNGBVZXDWXAZSU-INIZCTEOSA-N 0 0 376.478 2.341 40 0 GEABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408593958 231072244 /nfs/dbraw/zinc/07/22/44/231072244.db2.gz QWIDBQLFRAIFKV-UHFFFAOYSA-N 0 0 398.868 2.282 40 0 GEABRN COC[C@@H](C)NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408606992 231077903 /nfs/dbraw/zinc/07/79/03/231077903.db2.gz PORFKFWCXQBMFE-CABCVRRESA-N 0 0 398.525 2.216 40 0 GEABRN COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000408676325 231093620 /nfs/dbraw/zinc/09/36/20/231093620.db2.gz NDHAMIAQGKXXAH-UHFFFAOYSA-N 0 0 396.440 2.076 40 0 GEABRN COC[C@@H](C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000408622260 231084125 /nfs/dbraw/zinc/08/41/25/231084125.db2.gz VJLCRADQMJVGKD-OAHLLOKOSA-N 0 0 376.478 2.418 40 0 GEABRN COCCNC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000408976198 231140164 /nfs/dbraw/zinc/14/01/64/231140164.db2.gz QJEFXKBPUFWVIY-UHFFFAOYSA-N 0 0 381.413 2.473 40 0 GEABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O ZINC000409025131 231148869 /nfs/dbraw/zinc/14/88/69/231148869.db2.gz MDIRLJOZNBMQFM-UHFFFAOYSA-N 0 0 395.868 2.152 40 0 GEABRN Cc1ccc(N(CC(=O)NCCCOC(C)C)S(C)(=O)=O)cc1Cl ZINC000409327827 231189914 /nfs/dbraw/zinc/18/99/14/231189914.db2.gz WUKARFBSXAFCIL-UHFFFAOYSA-N 0 0 376.906 2.346 40 0 GEABRN CCc1ccccc1NC(=O)COc1ccc([C@@H]2CC(=O)N=C3N=CNN32)cc1 ZINC000409375789 529594442 /nfs/dbraw/zinc/59/44/42/529594442.db2.gz PIFYYLHUXNXBJG-SFHVURJKSA-N 0 0 391.431 2.442 40 0 GEABRN CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408709665 529702979 /nfs/dbraw/zinc/70/29/79/529702979.db2.gz DZSQOMZWTYZKFX-ZDUSSCGKSA-N 0 0 397.431 2.199 40 0 GEABRN CN1C(=O)S/C(=C\c2cc(I)c(O)cc2O)C1=O ZINC000408821664 530046273 /nfs/dbraw/zinc/04/62/73/530046273.db2.gz JXWYVGFQGRPBCG-OQFOIZHKSA-N 0 0 377.159 2.369 40 0 GEABRN CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1cccc(Cl)c1Cl ZINC000001015371 531500276 /nfs/dbraw/zinc/50/02/76/531500276.db2.gz OWMCDGHWHXXWLI-UHFFFAOYSA-N 0 0 388.276 2.471 40 0 GEABRN COC(=O)CN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2OC)NC1=S ZINC000008106459 531544858 /nfs/dbraw/zinc/54/48/58/531544858.db2.gz YXQLPWXGOGWSOW-WMZJFQQLSA-N 0 0 375.233 2.233 40 0 GEABRN C[C@H]1CCCN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)C1 ZINC000013668617 531559459 /nfs/dbraw/zinc/55/94/59/531559459.db2.gz BLWMSHAYKZUOIE-LBPRGKRZSA-N 0 0 389.315 2.474 40 0 GEABRN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2[C@@H]2C[C@@H]21)c1ccc(Br)cc1 ZINC000013512033 531560954 /nfs/dbraw/zinc/56/09/54/531560954.db2.gz QRWZSMGXNJSJBA-VWLPUNTISA-N 0 0 387.233 2.147 40 0 GEABRN CN(Cc1ccc(OCC(=O)NCCSC(C)(C)C)cc1)S(C)(=O)=O ZINC000014399590 531565907 /nfs/dbraw/zinc/56/59/07/531565907.db2.gz JJTUEVWJFSYZQJ-UHFFFAOYSA-N 0 0 388.555 2.105 40 0 GEABRN CCS(=O)(=O)C(Br)(Br)C(=O)c1cccc(N)c1 ZINC000096518488 531933543 /nfs/dbraw/zinc/93/35/43/531933543.db2.gz CHXZDIOYTBLNCT-UHFFFAOYSA-N 0 0 385.077 2.330 40 0 GEABRN CC(C)NC(=O)N1CCN2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253408241 291113947 /nfs/dbraw/zinc/11/39/47/291113947.db2.gz XHOPIMCMFPKCHO-SFHVURJKSA-N 0 0 387.528 2.095 40 0 biogenic,in-vitro GEABRN [NH3+]C[C@@]1(C(=O)[O-])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663307 532483075 /nfs/dbraw/zinc/48/30/75/532483075.db2.gz ADECHHIFUSYAAC-YQQAZPJKSA-N 0 0 383.828 2.449 40 0 GEABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2ccccc2C)C1 ZINC000222609812 532486107 /nfs/dbraw/zinc/48/61/07/532486107.db2.gz RXRCEQKTNMRBGM-MRXNPFEDSA-N 0 0 384.567 2.406 40 0 GEABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2Cl)cc1OC ZINC000244449753 532520385 /nfs/dbraw/zinc/52/03/85/532520385.db2.gz ZBAHAKSHDLJOQJ-UHFFFAOYSA-N 0 0 384.841 2.274 40 0 GEABRN O=C(COc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003514881 204011179 /nfs/dbraw/zinc/01/11/79/204011179.db2.gz SROMPRLNODEQHX-UHFFFAOYSA-N 0 0 394.880 2.252 40 0 GEABRN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(OC)c1 ZINC000003578871 204014777 /nfs/dbraw/zinc/01/47/77/204014777.db2.gz IAMINMTXJRZJAZ-UHFFFAOYSA-N 0 0 382.413 2.102 40 0 GEABRN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC(C)(C)C)c21 ZINC000003654941 204016821 /nfs/dbraw/zinc/01/68/21/204016821.db2.gz ZCPACQAQUUUZDB-UHFFFAOYSA-N 0 0 375.288 2.435 40 0 GEABRN CC(C)OCCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000004062884 204025701 /nfs/dbraw/zinc/02/57/01/204025701.db2.gz HBKFWZAUGLVAIL-VWNVYAMZSA-N 0 0 385.460 2.327 40 0 GEABRN Cc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000004163473 204029707 /nfs/dbraw/zinc/02/97/07/204029707.db2.gz IPXRVLDQMQZGFL-LSDHHAIUSA-N 0 0 375.428 2.467 40 0 GEABRN CCOC(=O)[C@H]1[C@@H](c2ccc(F)c(F)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000004269816 204035287 /nfs/dbraw/zinc/03/52/87/204035287.db2.gz ZQZSZUNZPFQOAY-JTNHKYCSSA-N 0 0 382.285 2.091 40 0 GEABRN CCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004262842 204035617 /nfs/dbraw/zinc/03/56/17/204035617.db2.gz WXXCWELNNOIETM-UJHHCITNSA-N 0 0 393.436 2.420 40 0 GEABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)Nc1ccc(F)cc1F)[C@@H]1OC(C)(C)O[C@H]21 ZINC000004275611 204035901 /nfs/dbraw/zinc/03/59/01/204035901.db2.gz ABZABSVMHZKZRO-SGPHBRAGSA-N 0 0 385.363 2.300 40 0 GEABRN CC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004848226 204081510 /nfs/dbraw/zinc/08/15/10/204081510.db2.gz HMHGKYALZAFZMI-UHFFFAOYSA-N 0 0 386.452 2.337 40 0 GEABRN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1C=CC2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004473830 204045358 /nfs/dbraw/zinc/04/53/58/204045358.db2.gz VVBGSEAACKHKOU-ABPJMCOGSA-N 0 0 398.418 2.414 40 0 GEABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)Nc1cc(F)ccc1F)[C@H]1OC(C)(C)O[C@H]21 ZINC000004488706 204047241 /nfs/dbraw/zinc/04/72/41/204047241.db2.gz NPVISOBFNKMFJJ-JAAXMTQOSA-N 0 0 385.363 2.300 40 0 GEABRN CC(=O)c1cccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 ZINC000004487867 204047269 /nfs/dbraw/zinc/04/72/69/204047269.db2.gz DUCVWAQYDPRPKD-FDPKGLCPSA-N 0 0 391.420 2.224 40 0 GEABRN CC(=O)c1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000004587979 204056257 /nfs/dbraw/zinc/05/62/57/204056257.db2.gz LBBPSKGDOCEGNH-JFBPSJKJSA-N 0 0 391.420 2.224 40 0 GEABRN CCS[C@H]1O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]1SCC ZINC000005120794 204112319 /nfs/dbraw/zinc/11/23/19/204112319.db2.gz ZWWONOSNLBCXPZ-DGADGQDISA-N 0 0 394.511 2.013 40 0 GEABRN CCOc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000005126937 204113994 /nfs/dbraw/zinc/11/39/94/204113994.db2.gz LGRDRRJIZQGMDI-UHFFFAOYSA-N 0 0 398.506 2.445 40 0 GEABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000005294838 204124807 /nfs/dbraw/zinc/12/48/07/204124807.db2.gz SRZXMUCVCMFZLV-UHFFFAOYSA-N 0 0 390.461 2.033 40 0 GEABRN O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)O[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000005808581 204152817 /nfs/dbraw/zinc/15/28/17/204152817.db2.gz APOQDYUENSVQGT-MHORFTMASA-N 0 0 382.324 2.272 40 0 GEABRN COc1ccc(N(Cc2nc3ccccc3n2C)C(=O)C2=NNC(=O)CC2)cc1 ZINC000035316999 204167775 /nfs/dbraw/zinc/16/77/75/204167775.db2.gz SBKQOVHTXWWQPW-UHFFFAOYSA-N 0 0 391.431 2.381 40 0 GEABRN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)NCc1ccccc1F ZINC000035315633 204168792 /nfs/dbraw/zinc/16/87/92/204168792.db2.gz BIBMPCNJQFSQFV-UHFFFAOYSA-N 0 0 395.390 2.137 40 0 GEABRN O=C(NCc1cccs1)C1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000035316057 204169145 /nfs/dbraw/zinc/16/91/45/204169145.db2.gz FJYNOMQRYRNETR-UHFFFAOYSA-N 0 0 382.493 2.207 40 0 GEABRN CCCCN(C)C(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000006739102 204198291 /nfs/dbraw/zinc/19/82/91/204198291.db2.gz ZAYMVFCLLZJFKL-LSDHHAIUSA-N 0 0 381.523 2.239 40 0 GEABRN COC(=O)CSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1 ZINC000007345349 204239678 /nfs/dbraw/zinc/23/96/78/204239678.db2.gz UVXURMMQWKYZBY-FNORWQNLSA-N 0 0 395.462 2.472 40 0 GEABRN COc1cccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)c1 ZINC000009187936 204301727 /nfs/dbraw/zinc/30/17/27/204301727.db2.gz GZBHKJYJYRQJRJ-YVLHZVERSA-N 0 0 395.440 2.392 40 0 GEABRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000009874964 204326525 /nfs/dbraw/zinc/32/65/25/204326525.db2.gz SQLZSDKQBGWSPN-UHFFFAOYSA-N 0 0 393.553 2.305 40 0 GEABRN Cc1nc2n(n1)[C@H](c1c[nH]c3ccccc31)C(C(=O)N1CCOCC1)=C(C)N2 ZINC000010157088 204332261 /nfs/dbraw/zinc/33/22/61/204332261.db2.gz SAXBCAHTWJGMSM-GOSISDBHSA-N 0 0 378.436 2.216 40 0 GEABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2N1 ZINC000012182660 204378304 /nfs/dbraw/zinc/37/83/04/204378304.db2.gz LCAIBLFHIQYNBH-ZWNOBZJWSA-N 0 0 395.451 2.176 40 0 GEABRN Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCC3)CC1)NC2=O ZINC000012086548 204369986 /nfs/dbraw/zinc/36/99/86/204369986.db2.gz GMKPUADPTSNMJG-OYHNWAKOSA-N 0 0 398.507 2.306 40 0 GEABRN CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC2(CCOCC2)Oc2ccc(C)cc21 ZINC000012087050 204370988 /nfs/dbraw/zinc/37/09/88/204370988.db2.gz HIHIUQWLNPUXDO-IRXDYDNUSA-N 0 0 390.505 2.405 40 0 GEABRN CCc1nn(CC(=O)NCc2cccc(OC)c2)c(=O)c2cc3oc(C)cc3n21 ZINC000012115544 204372454 /nfs/dbraw/zinc/37/24/54/204372454.db2.gz DIABQWXZMGVXLU-UHFFFAOYSA-N 0 0 394.431 2.438 40 0 GEABRN COc1cccc(CCNC(=O)Cn2nc(C)n3c4ccsc4cc3c2=O)c1 ZINC000012115266 204372544 /nfs/dbraw/zinc/37/25/44/204372544.db2.gz BQRUMVZRVHBGKX-UHFFFAOYSA-N 0 0 396.472 2.387 40 0 GEABRN CCc1c(C)nc(NC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH]c1=O ZINC000012114047 204372668 /nfs/dbraw/zinc/37/26/68/204372668.db2.gz RHVGBIFCEGBLLC-UHFFFAOYSA-N 0 0 384.436 2.086 40 0 GEABRN CC(C)(C)c1cc(C(=O)N2CCC3(C[C@@](O)(c4nccs4)CO3)CC2)[nH]n1 ZINC000012116254 204372765 /nfs/dbraw/zinc/37/27/65/204372765.db2.gz ZMNMKFSSMLZNCF-IBGZPJMESA-N 0 0 390.509 2.447 40 0 GEABRN CO[C@@H](C(=O)N1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012113725 204372832 /nfs/dbraw/zinc/37/28/32/204372832.db2.gz AUICNLDQYKNMLQ-GOSISDBHSA-N 0 0 382.464 2.033 40 0 GEABRN O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(O)(c2ccccn2)CC1 ZINC000012117437 204373278 /nfs/dbraw/zinc/37/32/78/204373278.db2.gz LISGZEWNMZHTJH-HNNXBMFYSA-N 0 0 383.423 2.084 40 0 GEABRN Cn1c2[nH]c(SCC(=O)c3ccc(Cl)cc3Cl)nc2c(=O)n(C)c1=O ZINC000012139029 204373737 /nfs/dbraw/zinc/37/37/37/204373737.db2.gz CUMITZASTHRGNS-UHFFFAOYSA-N 0 0 399.259 2.242 40 0 GEABRN Cc1nc2sc3c(c2c2nn(CC(=O)N4CCCC4)c(=O)n21)CC[C@H](C)C3 ZINC000012132303 204374071 /nfs/dbraw/zinc/37/40/71/204374071.db2.gz XDFCJBNXXPWHSC-NSHDSACASA-N 0 0 385.493 2.161 40 0 GEABRN O=C(c1cccc(F)c1)N1CCC(n2nnc3c2nc(C2CC2)[nH]c3=O)CC1 ZINC000012133616 204374076 /nfs/dbraw/zinc/37/40/76/204374076.db2.gz QIJYQPCRKNXADY-UHFFFAOYSA-N 0 0 382.399 2.421 40 0 GEABRN CCn1ncc(CN2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)c1C ZINC000012143376 204374887 /nfs/dbraw/zinc/37/48/87/204374887.db2.gz DUBMOOBVEOPARP-NRFANRHFSA-N 0 0 394.523 2.349 40 0 GEABRN O=C(c1ccc2c(c1)OCO2)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 ZINC000012144704 204375787 /nfs/dbraw/zinc/37/57/87/204375787.db2.gz HIMBLMADMBRRCU-UHFFFAOYSA-N 0 0 375.384 2.364 40 0 GEABRN COCCN1CCN(c2nc(C)nc3c2CCN(Cc2ccccc2)C3)CC1 ZINC000012142758 204375958 /nfs/dbraw/zinc/37/59/58/204375958.db2.gz FBXAIUKTZOATFW-UHFFFAOYSA-N 0 0 381.524 2.112 40 0 GEABRN Cc1ccc2cc(C)c3nn(CCNC(=O)c4c(Cl)cnn4C)c(=O)n3c2c1 ZINC000012146436 204376090 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CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccccc1Cl ZINC000139305298 532293181 /nfs/dbraw/zinc/29/31/81/532293181.db2.gz KUOGGMWKHMTVCK-UHFFFAOYSA-N 0 0 379.917 2.485 40 0 GEABRN [NH3+]C[C@]1(C(=O)[O-])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662083 532482892 /nfs/dbraw/zinc/48/28/92/532482892.db2.gz NVNMWSQCETYNSD-VYDXJSESSA-N 0 0 383.828 2.449 40 0 GEABRN C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000329063791 532802358 /nfs/dbraw/zinc/80/23/58/532802358.db2.gz XEYLYIKSFFDMFY-NSHDSACASA-N 0 0 377.286 2.365 40 0 GEABRN CC(C)(C)S[C@H]1[C@H](O)[C@H](CO)O[C@@H]1n1ccc(Nc2ccccc2)nc1=O ZINC000001589302 203915018 /nfs/dbraw/zinc/91/50/18/203915018.db2.gz RIQJVHDWEIXQJV-ORQFMDKSSA-N 0 0 391.493 2.138 40 0 GEABRN CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccccc3)c(=O)n12 ZINC000004317159 204038186 /nfs/dbraw/zinc/03/81/86/204038186.db2.gz FCNZXRUGANCPMY-VWCNSNETSA-N 0 0 390.464 2.275 40 0 GEABRN COC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000004885855 204087244 /nfs/dbraw/zinc/08/72/44/204087244.db2.gz SFPGMLMXUYNMNH-XLPNERPQSA-N 0 0 388.420 2.269 40 0 GEABRN CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000004885355 204087706 /nfs/dbraw/zinc/08/77/06/204087706.db2.gz MFLOOZLIIRLPET-ZKNHNOBHSA-N 0 0 386.379 2.191 40 0 GEABRN CC[C@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004411396 204045064 /nfs/dbraw/zinc/04/50/64/204045064.db2.gz DTNZJRSIQGJGHG-IAGYGMIVSA-N 0 0 382.416 2.360 40 0 GEABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000004503499 204048616 /nfs/dbraw/zinc/04/86/16/204048616.db2.gz BBCBZKCERAYBMO-ZENOOKHLSA-N 0 0 398.912 2.279 40 0 GEABRN COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1F ZINC000004964940 204097728 /nfs/dbraw/zinc/09/77/28/204097728.db2.gz MNJWWRCDLMMLRV-OAHLLOKOSA-N 0 0 394.472 2.422 40 0 GEABRN COc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000005017082 204103473 /nfs/dbraw/zinc/10/34/73/204103473.db2.gz ZONPFDSZPHBCGQ-GHYKFQNRSA-N 0 0 379.409 2.030 40 0 GEABRN O=C(NC1CCN(Cc2nnnn2Cc2cccs2)CC1)c1ccccc1 ZINC000035314247 204167617 /nfs/dbraw/zinc/16/76/17/204167617.db2.gz YRNNGZHUPZNKKA-UHFFFAOYSA-N 0 0 382.493 2.177 40 0 GEABRN COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000005500526 204136725 /nfs/dbraw/zinc/13/67/25/204136725.db2.gz JAPISWCCMIZCQS-LLVKDONJSA-N 0 0 381.310 2.086 40 0 GEABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000006314416 204175037 /nfs/dbraw/zinc/17/50/37/204175037.db2.gz SITCHKLAIKSCNY-UHFFFAOYSA-N 0 0 388.367 2.372 40 0 GEABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC ZINC000007055471 204231042 /nfs/dbraw/zinc/23/10/42/204231042.db2.gz OWXUSYAPKNHAEA-UHFFFAOYSA-N 0 0 378.450 2.341 40 0 GEABRN COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000007872014 204254133 /nfs/dbraw/zinc/25/41/33/204254133.db2.gz SKMNLIQBUKMMRY-CQSZACIVSA-N 0 0 394.468 2.348 40 0 GEABRN CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C(CC)CC)cc1 ZINC000067896959 204301389 /nfs/dbraw/zinc/30/13/89/204301389.db2.gz QUBIOGONZCHUID-UYAOXDASSA-N 0 0 392.496 2.359 40 0 biogenic,in-vitro GEABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 ZINC000010008778 204328456 /nfs/dbraw/zinc/32/84/56/204328456.db2.gz STEAWIYUGJBSGV-UHFFFAOYSA-N 0 0 392.433 2.032 40 0 GEABRN COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 ZINC000010008993 204328928 /nfs/dbraw/zinc/32/89/28/204328928.db2.gz BRNRPKHEIHSOEO-UHFFFAOYSA-N 0 0 392.477 2.321 40 0 GEABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC2CCCCC2)cc1 ZINC000011355813 204345561 /nfs/dbraw/zinc/34/55/61/204345561.db2.gz NUZGMBABLPWZHP-UHFFFAOYSA-N 0 0 382.526 2.471 40 0 GEABRN Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2cnc(C)cn2)cc1 ZINC000011481020 204346947 /nfs/dbraw/zinc/34/69/47/204346947.db2.gz QSUXWAIZMLGASP-QOCHGBHMSA-N 0 0 382.445 2.289 40 0 GEABRN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2Cn2nnc3c2nc(C)[nH]c3=O)cc1 ZINC000012084911 204370672 /nfs/dbraw/zinc/37/06/72/204370672.db2.gz JWKXCRHASPXPAA-CZUORRHYSA-N 0 0 380.452 2.338 40 0 GEABRN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(=O)[nH]n3)CC1)c1cccn1-2 ZINC000012117289 204372184 /nfs/dbraw/zinc/37/21/84/204372184.db2.gz BACXEIXUAOTYQV-UHFFFAOYSA-N 0 0 391.431 2.126 40 0 GEABRN COc1ccccc1CNC(=O)Cn1nc(C)n2c3cc(C)oc3cc2c1=O ZINC000012115498 204372989 /nfs/dbraw/zinc/37/29/89/204372989.db2.gz OJOBKSQGYZAZGP-UHFFFAOYSA-N 0 0 380.404 2.184 40 0 GEABRN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(O)(c2ccccn2)CC1 ZINC000012117438 204373394 /nfs/dbraw/zinc/37/33/94/204373394.db2.gz LISGZEWNMZHTJH-OAHLLOKOSA-N 0 0 383.423 2.084 40 0 GEABRN CCN(CC)C(=O)Cn1nc2c3c4c(sc3nc(C)n2c1=O)C[C@@H](C)CC4 ZINC000012132290 204373570 /nfs/dbraw/zinc/37/35/70/204373570.db2.gz QZKBWZSZXQTFSP-NSHDSACASA-N 0 0 387.509 2.407 40 0 GEABRN CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc2c(c1)OCCO2 ZINC000012182707 204378512 /nfs/dbraw/zinc/37/85/12/204378512.db2.gz GSTOZKKVEVINOC-MRXNPFEDSA-N 0 0 379.416 2.376 40 0 GEABRN CCn1cc(C(=O)N[C@@H](C)Cn2nnc3ccccc32)c(=O)c2ccc(C)nc21 ZINC000012141929 204374042 /nfs/dbraw/zinc/37/40/42/204374042.db2.gz KVPRYBSROKSFBX-AWEZNQCLSA-N 0 0 390.447 2.288 40 0 GEABRN CS(=O)(=O)c1cncnc1[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000012128296 204374091 /nfs/dbraw/zinc/37/40/91/204374091.db2.gz YDLFFKUQKNTWKP-GFCCVEGCSA-N 0 0 378.429 2.431 40 0 GEABRN COc1ccc(-c2nc3c([nH]c(=O)n3CCc3ccccc3)c(C(N)=O)n2)cc1 ZINC000012145950 204375312 /nfs/dbraw/zinc/37/53/12/204375312.db2.gz GZGRULVFPQYFOE-UHFFFAOYSA-N 0 0 389.415 2.137 40 0 GEABRN c1nc2cccnc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1 ZINC000012144601 204375537 /nfs/dbraw/zinc/37/55/37/204375537.db2.gz XUQSKCPJYYSSMD-UHFFFAOYSA-N 0 0 388.479 2.498 40 0 GEABRN Cn1c2ccc(S(=O)(=O)Nc3ccc(Cn4ccnc4)cc3)cc2oc1=O ZINC000012147672 204377125 /nfs/dbraw/zinc/37/71/25/204377125.db2.gz BNXWGNNWIOAIMA-UHFFFAOYSA-N 0 0 384.417 2.177 40 0 GEABRN Cc1cc2occ(CC(=O)N(CCN(C)C)[C@@H]3CCS(=O)(=O)C3)c2cc1C ZINC000012360932 204399926 /nfs/dbraw/zinc/39/99/26/204399926.db2.gz KKVAZQOGFWPZPG-QGZVFWFLSA-N 0 0 392.521 2.169 40 0 GEABRN C[C@H]1C[C@H](C)CN(C(=O)Cn2nc3c4ccccc4nc(C4CC4)n3c2=O)C1 ZINC000012182469 204378680 /nfs/dbraw/zinc/37/86/80/204378680.db2.gz QCFFDPQOHUCTJK-KBPBESRZSA-N 0 0 379.464 2.426 40 0 GEABRN O=C(Cn1nnc2ccccc21)N1CCC(n2c(=O)oc3ccccc32)CC1 ZINC000012184599 204379056 /nfs/dbraw/zinc/37/90/56/204379056.db2.gz SRLMRIYRIGOPPO-UHFFFAOYSA-N 0 0 377.404 2.203 40 0 GEABRN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000012200110 204382554 /nfs/dbraw/zinc/38/25/54/204382554.db2.gz TXXUYQUBXNXKSS-UHFFFAOYSA-N 0 0 387.417 2.099 40 0 GEABRN C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc(N(C)C)ncc2C(=O)N(C)C)cc1 ZINC000012239664 204386859 /nfs/dbraw/zinc/38/68/59/204386859.db2.gz KPLGQAMHNOFGSO-CJNGLKHVSA-N 0 0 381.480 2.184 40 0 GEABRN Cn1cccc1[C@@]1(O)CCC[C@@H]2CN(C(=O)c3n[nH]c(=O)c4ccccc43)C[C@@H]21 ZINC000012233465 204387046 /nfs/dbraw/zinc/38/70/46/204387046.db2.gz IEXMJOOJBYNKBL-AOSWFRPUSA-N 0 0 392.459 2.022 40 0 GEABRN CN(C)c1nc2c(c(N3CCC[C@@H](CO)C3)n1)CN(Cc1ccccc1)CC2 ZINC000012325745 204397531 /nfs/dbraw/zinc/39/75/31/204397531.db2.gz DUVJJYZQDMZLLT-GOSISDBHSA-N 0 0 381.524 2.310 40 0 GEABRN CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581208 204495539 /nfs/dbraw/zinc/49/55/39/204495539.db2.gz UHHGDVYDVIKOJI-UHFFFAOYSA-N 0 0 396.440 2.492 40 0 GEABRN C[C@@H](Cn1cccn1)C(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000019457666 204645879 /nfs/dbraw/zinc/64/58/79/204645879.db2.gz JCTCQPRCBAIMSL-FQWCMUAHSA-N 0 0 382.464 2.139 40 0 GEABRN COc1ccc([C@H](NC(=O)CC[C@@]2(C)NC(=O)NC2=O)c2ccccc2)cc1 ZINC000019460287 204646249 /nfs/dbraw/zinc/64/62/49/204646249.db2.gz CSGDTTSRGVEEPP-WIYYLYMNSA-N 0 0 381.432 2.279 40 0 GEABRN CCc1noc(C)c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019521231 204649536 /nfs/dbraw/zinc/64/95/36/204649536.db2.gz OXCZOGKYSLGILJ-KRWDZBQOSA-N 0 0 383.452 2.217 40 0 GEABRN CC(=O)N1CC[C@@H](c2nn(CCNC(=O)[C@@H]3CC=CCC3)c3ncccc23)C1 ZINC000019016459 204623356 /nfs/dbraw/zinc/62/33/56/204623356.db2.gz RNPCOENPVQXILM-IAGOWNOFSA-N 0 0 381.480 2.240 40 0 GEABRN COc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)CCn3cnnn3)nc2)cc1 ZINC000019687253 204670199 /nfs/dbraw/zinc/67/01/99/204670199.db2.gz OHZDJUOOMGSMPK-FQEVSTJZSA-N 0 0 392.463 2.421 40 0 GEABRN Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)C[C@@H]1CCCO1)CC2 ZINC000019701162 204671371 /nfs/dbraw/zinc/67/13/71/204671371.db2.gz UZNKHMJEDIEGPJ-KRWDZBQOSA-N 0 0 394.475 2.048 40 0 GEABRN CNc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711455 204673671 /nfs/dbraw/zinc/67/36/71/204673671.db2.gz KRNIWHDQIFKZMY-QGZVFWFLSA-N 0 0 393.491 2.443 40 0 GEABRN COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2ccnc3ncnn32)c1 ZINC000019551356 204652809 /nfs/dbraw/zinc/65/28/09/204652809.db2.gz IMRYSKITSIURFU-MRXNPFEDSA-N 0 0 381.436 2.438 40 0 GEABRN COc1ccc([C@H]2CN(C(=O)c3cnn(C)c3C)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019553369 204654241 /nfs/dbraw/zinc/65/42/41/204654241.db2.gz WWYGOXNQTIOEJI-NJDAHSKKSA-N 0 0 396.491 2.356 40 0 GEABRN Cc1noc2nc(C3CCN(C(=O)Cn4cncn4)CC3)cc(C(F)F)c12 ZINC000019564813 204656466 /nfs/dbraw/zinc/65/64/66/204656466.db2.gz RBGUTQYENQSPFC-UHFFFAOYSA-N 0 0 376.367 2.467 40 0 GEABRN Cc1nc(N)ncc1C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000019748618 204680203 /nfs/dbraw/zinc/68/02/03/204680203.db2.gz IJWGOVIWZYSRGH-CQSZACIVSA-N 0 0 381.480 2.487 40 0 GEABRN CCN(c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O ZINC000019937778 204694663 /nfs/dbraw/zinc/69/46/63/204694663.db2.gz CRJAURYUGIYTLQ-UHFFFAOYSA-N 0 0 392.433 2.219 40 0 GEABRN COC(=O)c1cc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc2s1 ZINC000020016525 204696870 /nfs/dbraw/zinc/69/68/70/204696870.db2.gz ZXWGWVJZPQZENR-UHFFFAOYSA-N 0 0 396.490 2.298 40 0 GEABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1OC ZINC000020016133 204697458 /nfs/dbraw/zinc/69/74/58/204697458.db2.gz JYTFKBDQLKTMJH-GFCCVEGCSA-N 0 0 396.440 2.457 40 0 GEABRN CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1 ZINC000022227688 204775863 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398.484 2.343 40 0 GEABRN COCCC(=O)N1CCO[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(N)=O)C1 ZINC000019212664 570960953 /nfs/dbraw/zinc/96/09/53/570960953.db2.gz TXQUWALBSYDQOS-HSZRJFAPSA-N 0 0 396.487 2.324 40 0 GEABRN Cc1cccc(C)c1OCC(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1 ZINC000019236071 570966561 /nfs/dbraw/zinc/96/65/61/570966561.db2.gz NGZFAQYCYJBKEV-SFHVURJKSA-N 0 0 396.491 2.330 40 0 GEABRN Cc1cnccc1-c1cnn(CCNC(=O)[C@H](C)N2CCCC2=O)c1C1CC1 ZINC000019239866 570968767 /nfs/dbraw/zinc/96/87/67/570968767.db2.gz GEMLGFFVLZJDLA-HNNXBMFYSA-N 0 0 381.480 2.258 40 0 GEABRN Cc1cnccc1C(=O)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019239415 570968778 /nfs/dbraw/zinc/96/87/78/570968778.db2.gz VVBULSZYSDXDKN-AWEZNQCLSA-N 0 0 384.461 2.455 40 0 GEABRN Cn1ccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)n1 ZINC000019290976 570971851 /nfs/dbraw/zinc/97/18/51/570971851.db2.gz VCYMIENIIYOHQB-OXJNMPFZSA-N 0 0 388.418 2.367 40 0 GEABRN O=C(N1CCOCC1)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 ZINC000019293656 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Cc1nn(C)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000585288819 570256850 /nfs/dbraw/zinc/25/68/50/570256850.db2.gz ANKSSLWGAMXUCW-QGLCGVBQSA-N 0 0 384.480 2.265 40 0 GEABRN Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2cc3cc(F)ccc3n21 ZINC000006749902 570282237 /nfs/dbraw/zinc/28/22/37/570282237.db2.gz JVDPAXBJKJQYHC-UHFFFAOYSA-N 0 0 378.407 2.456 40 0 GEABRN CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000002479164 570288123 /nfs/dbraw/zinc/28/81/23/570288123.db2.gz BZDIRDZFHCCDPJ-UHFFFAOYSA-N 0 0 383.477 2.182 40 0 GEABRN COc1ccc(N2C(=O)[C@@H]3[C@H](C(C)=O)N4N=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000103539059 570295878 /nfs/dbraw/zinc/29/58/78/570295878.db2.gz NEOOIMZWNMOBIW-LWYYNNOASA-N 0 0 389.411 2.163 40 0 GEABRN Cc1cccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1C ZINC000001941432 570297312 /nfs/dbraw/zinc/29/73/12/570297312.db2.gz NMYBEWKWXDJWKO-UHFFFAOYSA-N 0 0 380.400 2.471 40 0 GEABRN O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1cccc(Cl)c1Cl ZINC000104346139 570301538 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CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)c1C ZINC000222613945 570417052 /nfs/dbraw/zinc/41/70/52/570417052.db2.gz KVAROMVSFGRNIV-CQSZACIVSA-N 0 0 382.482 2.172 40 0 GEABRN NC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000104102928 570418823 /nfs/dbraw/zinc/41/88/23/570418823.db2.gz SWHLRVLOKAIFND-BDXSIMOUSA-N 0 0 393.830 2.215 40 0 GEABRN COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000222785935 570425881 /nfs/dbraw/zinc/42/58/81/570425881.db2.gz PQYBMSHAWSZEBO-CQSZACIVSA-N 0 0 392.477 2.175 40 0 GEABRN Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 ZINC000223205289 570449806 /nfs/dbraw/zinc/44/98/06/570449806.db2.gz IKMHVKHWMXVZHE-RBUKOAKNSA-N 0 0 385.537 2.115 40 0 GEABRN CO[C@H]1O[C@H]2CN=C(c3ccccc3)O[C@@H]2[C@@H](OC)[C@H]1NC(=O)c1ccccc1 ZINC000039945480 570452714 /nfs/dbraw/zinc/45/27/14/570452714.db2.gz NGSCDLAFRPLQAD-PQTWGXLHSA-N 0 0 396.443 2.017 40 0 GEABRN 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CCCn1nnnc1NC(=S)NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000006462584 570480778 /nfs/dbraw/zinc/48/07/78/570480778.db2.gz DYBJMXFDIFGCAT-UHFFFAOYSA-N 0 0 376.486 2.273 40 0 GEABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCOc2ccccc2C(C)C)C1 ZINC000223826555 570485858 /nfs/dbraw/zinc/48/58/58/570485858.db2.gz BYAYPZMBRJFYAV-MRXNPFEDSA-N 0 0 382.526 2.367 40 0 GEABRN Cc1ccc(C)c(OCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000223991577 570493217 /nfs/dbraw/zinc/49/32/17/570493217.db2.gz BLWDFEOFSWTXNQ-UHFFFAOYSA-N 0 0 394.468 2.404 40 0 GEABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 ZINC000006880501 570498352 /nfs/dbraw/zinc/49/83/52/570498352.db2.gz ZLFCCAKEDKOBRK-UHFFFAOYSA-N 0 0 378.450 2.401 40 0 GEABRN CCOCCCNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000006957851 570499692 /nfs/dbraw/zinc/49/96/92/570499692.db2.gz OBWFHDQHJWOBBX-UHFFFAOYSA-N 0 0 398.525 2.219 40 0 GEABRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccccc2Cl)cc1 ZINC000224195623 570503264 /nfs/dbraw/zinc/50/32/64/570503264.db2.gz SROFSLMJVDKXES-UHFFFAOYSA-N 0 0 382.869 2.399 40 0 GEABRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000224266058 570506706 /nfs/dbraw/zinc/50/67/06/570506706.db2.gz LJESHSKLWCDOMJ-UHFFFAOYSA-N 0 0 396.896 2.328 40 0 GEABRN Cc1nc(CO[C@@H]2CSC3(CN(S(=O)(=O)c4cccnc4)C3)C2)cs1 ZINC000575404098 570520538 /nfs/dbraw/zinc/52/05/38/570520538.db2.gz MHWPHDYGXZBLSA-AWEZNQCLSA-N 0 0 397.547 2.312 40 0 GEABRN O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@H]12)c1ccncc1 ZINC000575405123 570521479 /nfs/dbraw/zinc/52/14/79/570521479.db2.gz RGLMJPLIYAMGFG-SQGPQFPESA-N 0 0 390.443 2.080 40 0 GEABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3ccccn3)C2)c1 ZINC000575405869 570521856 /nfs/dbraw/zinc/52/18/56/570521856.db2.gz KLQLVBAOMDYHDD-FQEVSTJZSA-N 0 0 389.459 2.490 40 0 GEABRN CN(C)S(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000033269400 570522066 /nfs/dbraw/zinc/52/20/66/570522066.db2.gz FWIJTBUXDKRVGT-IBGZPJMESA-N 0 0 387.505 2.493 40 0 GEABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)c1 ZINC000224645449 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0 0 398.507 2.308 40 0 GEABRN CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1 ZINC000408593181 529918030 /nfs/dbraw/zinc/91/80/30/529918030.db2.gz LUJAKKCJJKQCGM-AWEZNQCLSA-N 0 0 392.477 2.029 40 0 GEABRN CCS(=O)(=O)N(CC(=O)N(C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000013675930 210077107 /nfs/dbraw/zinc/07/71/07/210077107.db2.gz CRJWVEQURDQWJM-UHFFFAOYSA-N 0 0 376.434 2.234 40 0 GEABRN COc1ccc(N([C@H](C)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000013671415 210077121 /nfs/dbraw/zinc/07/71/21/210077121.db2.gz YQNOLIIPXVIZBP-OAHLLOKOSA-N 0 0 376.478 2.475 40 0 GEABRN COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013677170 210078748 /nfs/dbraw/zinc/07/87/48/210078748.db2.gz SVKVVNUMFQOYPY-UHFFFAOYSA-N 0 0 392.477 2.321 40 0 GEABRN O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1C(F)(F)F ZINC000013636688 210073826 /nfs/dbraw/zinc/07/38/26/210073826.db2.gz GCZAKJAKTCTWPW-AWEZNQCLSA-N 0 0 384.354 2.176 40 0 GEABRN COc1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000013048600 210050289 /nfs/dbraw/zinc/05/02/89/210050289.db2.gz WSYOAOLOBBICPN-UHFFFAOYSA-N 0 0 375.450 2.234 40 0 GEABRN Cc1cccc(OC(C)(C)C(=O)N2CCN(c3ncc4c(n3)CCOC4)CC2)c1 ZINC000013227597 210054671 /nfs/dbraw/zinc/05/46/71/210054671.db2.gz KRKHMHJLRLGEBE-UHFFFAOYSA-N 0 0 396.491 2.364 40 0 GEABRN O=C1CS[C@H](c2ccccn2)N1CCN1C(=O)CS[C@@H]1c1ccccn1 ZINC000012943339 210034857 /nfs/dbraw/zinc/03/48/57/210034857.db2.gz MFVGYQUBEXCALL-QZTJIDSGSA-N 0 0 386.502 2.325 40 0 GEABRN COc1ccc(-c2cc3nc(CCNC(=O)c4oc(C)nc4C)nn3cn2)cc1 ZINC000012749134 210001671 /nfs/dbraw/zinc/00/16/71/210001671.db2.gz IYXGDQIKNIHNOC-UHFFFAOYSA-N 0 0 392.419 2.377 40 0 GEABRN COc1ccccc1OCC(=O)N1CCC[C@H](c2noc(-c3cnccn3)n2)C1 ZINC000012729223 209996597 /nfs/dbraw/zinc/99/65/97/209996597.db2.gz ONRBVRLBEIZUDB-AWEZNQCLSA-N 0 0 395.419 2.320 40 0 GEABRN COC(=O)[C@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@@H]1c1ccc(F)cc1 ZINC000012143309 209911994 /nfs/dbraw/zinc/91/19/94/209911994.db2.gz ZZHNDHDINBMBNH-QYZOEREBSA-N 0 0 396.418 2.416 40 0 GEABRN CCOC(=O)[C@H]1[C@@H](c2ccccc2Cl)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000004184410 531510231 /nfs/dbraw/zinc/51/02/31/531510231.db2.gz ZBQYNMGPZCSNQH-JTNHKYCSSA-N 0 0 380.750 2.466 40 0 GEABRN COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004108467 531510456 /nfs/dbraw/zinc/51/04/56/531510456.db2.gz CLQCHXHLOVONIH-ZOMKSWQUSA-N 0 0 389.231 2.379 40 0 GEABRN CC(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 ZINC000006255772 531522821 /nfs/dbraw/zinc/52/28/21/531522821.db2.gz CAOMONYCYORSAO-NSHDSACASA-N 0 0 377.304 2.278 40 0 GEABRN COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)s1 ZINC000006679559 531529050 /nfs/dbraw/zinc/52/90/50/531529050.db2.gz ZMMCQYXRMNEZJU-UHFFFAOYSA-N 0 0 382.463 2.346 40 0 GEABRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000007247902 531538639 /nfs/dbraw/zinc/53/86/39/531538639.db2.gz OQGDIYQPSZJFCX-CYBMUJFWSA-N 0 0 389.882 2.311 40 0 GEABRN CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000067896960 209815598 /nfs/dbraw/zinc/81/55/98/209815598.db2.gz FHPQURRATMYOEQ-YLJYHZDGSA-N 0 0 392.496 2.359 40 0 biogenic,in-vitro GEABRN CCCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 ZINC000026117655 531617521 /nfs/dbraw/zinc/61/75/21/531617521.db2.gz FWCVUIYPUOLFGM-UHFFFAOYSA-N 0 0 386.539 2.349 40 0 GEABRN CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000030852274 531640880 /nfs/dbraw/zinc/64/08/80/531640880.db2.gz KGWSTTFKIIZMIB-JTQLQIEISA-N 0 0 380.297 2.450 40 0 GEABRN CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054200985 531776421 /nfs/dbraw/zinc/77/64/21/531776421.db2.gz PEHOXOYYTVAYOG-HNNXBMFYSA-N 0 0 397.294 2.085 40 0 GEABRN CS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc(F)c1 ZINC000096518245 531933216 /nfs/dbraw/zinc/93/32/16/531933216.db2.gz PSAZAPAXDONNRQ-VIFPVBQESA-N 0 0 376.574 2.381 40 0 GEABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000007803753 209747288 /nfs/dbraw/zinc/74/72/88/209747288.db2.gz IQKBHCXABMLJBX-UHFFFAOYSA-N 0 0 376.453 2.210 40 0 GEABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1Cl ZINC000222606220 532484962 /nfs/dbraw/zinc/48/49/62/532484962.db2.gz YVWUHZWKPNTKLI-NSHDSACASA-N 0 0 388.873 2.127 40 0 GEABRN CSc1nnc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)s1 ZINC000225836988 532488118 /nfs/dbraw/zinc/48/81/18/532488118.db2.gz QXWNIIDAIARMRO-QMMMGPOBSA-N 0 0 390.487 2.192 40 0 GEABRN CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225677575 532488202 /nfs/dbraw/zinc/48/82/02/532488202.db2.gz FPOAZCNHQREIKC-UHFFFAOYSA-N 0 0 378.475 2.477 40 0 GEABRN CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000004933079 209548076 /nfs/dbraw/zinc/54/80/76/209548076.db2.gz KKPGKHLQUZGUPW-UHFFFAOYSA-N 0 0 387.436 2.480 40 0 GEABRN COC(=O)[C@@]1(C)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885455 209538775 /nfs/dbraw/zinc/53/87/75/209538775.db2.gz RHVGEUXBJDKUEV-MSQSPTIYSA-N 0 0 378.428 2.377 40 0 GEABRN O=C(NN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccc(Br)cc1 ZINC000002927391 209398493 /nfs/dbraw/zinc/39/84/93/209398493.db2.gz QRWZSMGXNJSJBA-FYYZZUKCSA-N 0 0 387.233 2.147 40 0 GEABRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000002809150 209387726 /nfs/dbraw/zinc/38/77/26/209387726.db2.gz CHOGSMCCNDTKPG-GEEKYZPCSA-N 0 0 375.787 2.391 40 0 GEABRN [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000001557161 209332552 /nfs/dbraw/zinc/33/25/52/209332552.db2.gz NQIHMZLGCZNZBN-PXNSSMCTSA-N 0 0 390.443 2.331 40 0 endogenous,in-man GEABRN COC(=O)[C@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000001558307 209331750 /nfs/dbraw/zinc/33/17/50/209331750.db2.gz HZFZVKVJXSPTNY-BLLLJJGKSA-N 0 0 389.452 2.281 40 0 GEABRN CCOC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1C ZINC000005054288 209231813 /nfs/dbraw/zinc/23/18/13/209231813.db2.gz IUWYCDQZIDOCEV-LSDHHAIUSA-N 0 0 383.448 2.229 40 0 GEABRN CC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)noc2[C@H](C)O)CC1 ZINC000253405434 209219540 /nfs/dbraw/zinc/21/95/40/209219540.db2.gz SJKNENIRNOMLQA-NSHDSACASA-N 0 0 377.828 2.353 40 0 biogenic,in-vitro GEABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCOCC3)cc2c1 ZINC000019973162 209183187 /nfs/dbraw/zinc/18/31/87/209183187.db2.gz QJSLUWRUHZYYNI-SFHVURJKSA-N 0 0 396.495 2.308 40 0 GEABRN CC(C)(C)CNC(=O)c1nc([C@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 ZINC000306144355 212055926 /nfs/dbraw/zinc/05/59/26/212055926.db2.gz ZDGNSJVDICQDJD-AWEZNQCLSA-N 0 0 392.525 2.249 40 0 GEABRN COc1ncccc1CN1C[C@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306144159 212055009 /nfs/dbraw/zinc/05/50/09/212055009.db2.gz YXXNLDDCCQUVLQ-PMACEKPBSA-N 0 0 389.459 2.368 40 0 GEABRN Cn1nccc1[C@@H]1CN(C(=O)Cc2ccco2)C[C@]12CCCN(CC1CC1)C2=O ZINC000306143375 212054665 /nfs/dbraw/zinc/05/46/65/212054665.db2.gz YAOPGJYSTRUWMA-PGRDOPGGSA-N 0 0 396.491 2.200 40 0 GEABRN O=C(NCCCCO)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 ZINC000306140585 212054048 /nfs/dbraw/zinc/05/40/48/212054048.db2.gz UXWAGGHUECCMSI-UHFFFAOYSA-N 0 0 376.420 2.084 40 0 GEABRN O=C(C1CC1)N1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306140892 212053435 /nfs/dbraw/zinc/05/34/35/212053435.db2.gz VGGHUKJTDADONC-NFBKMPQASA-N 0 0 391.471 2.215 40 0 GEABRN Cc1ccsc1C(=O)N1CC[C@@]2(C1)CN(S(C)(=O)=O)c1cccnc12 ZINC000306139741 212052682 /nfs/dbraw/zinc/05/26/82/212052682.db2.gz TYYWKUZUCRKULI-QGZVFWFLSA-N 0 0 377.491 2.015 40 0 GEABRN Cc1occc1C(=O)N1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306135466 212051570 /nfs/dbraw/zinc/05/15/70/212051570.db2.gz ORSHAYRRBQBNFW-INIZCTEOSA-N 0 0 395.463 2.487 40 0 GEABRN O=C(NCC[C@H]1CN(Cc2ccncc2)Cc2ccnn21)C1CC(F)(F)C1 ZINC000306134533 212050404 /nfs/dbraw/zinc/05/04/04/212050404.db2.gz NQIWZDVUANNDFE-INIZCTEOSA-N 0 0 375.423 2.387 40 0 GEABRN Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccccn4)C[C@@H]2S3(=O)=O)cn1 ZINC000306131071 212049825 /nfs/dbraw/zinc/04/98/25/212049825.db2.gz JVSQZNVQSJPXNY-ICSRJNTNSA-N 0 0 380.473 2.237 40 0 GEABRN CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)c1n[nH]c3c1CCC3)C2 ZINC000306131267 212049963 /nfs/dbraw/zinc/04/99/63/212049963.db2.gz JZQXOFILFQIWGZ-KRWDZBQOSA-N 0 0 395.507 2.047 40 0 GEABRN Cn1cc(-c2ccc3c(c2)[C@@H]2CN(Cc4ccccn4)C[C@H]2S3(=O)=O)cn1 ZINC000306131070 212049427 /nfs/dbraw/zinc/04/94/27/212049427.db2.gz JVSQZNVQSJPXNY-AZUAARDMSA-N 0 0 380.473 2.237 40 0 GEABRN O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(C(=O)c1ccco1)C2)c1cccs1 ZINC000306130676 212049099 /nfs/dbraw/zinc/04/90/99/212049099.db2.gz JMTWWBJQIRCEBF-HNAYVOBHSA-N 0 0 397.460 2.340 40 0 GEABRN Cn1cc(CN2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)cn1 ZINC000306127408 212046352 /nfs/dbraw/zinc/04/63/52/212046352.db2.gz FYBXGOOTESFEIP-IBGZPJMESA-N 0 0 375.436 2.098 40 0 GEABRN O=S1(=O)CCN(Cc2ccc(F)cc2)[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000306123125 212043173 /nfs/dbraw/zinc/04/31/73/212043173.db2.gz AFCNVRLDRWFVCC-ZWKOTPCHSA-N 0 0 380.510 2.371 40 0 GEABRN CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NC[C@@H]2CCCO2)c2ccccn21 ZINC000306126511 212044830 /nfs/dbraw/zinc/04/48/30/212044830.db2.gz DXZSWCPZDKSSKQ-HOCLYGCPSA-N 0 0 385.468 2.062 40 0 GEABRN COCCN1C(=O)CC[C@@H](C(=O)N(CCO)C(C)C)[C@@H]1c1ccccc1Cl ZINC000257341916 212027734 /nfs/dbraw/zinc/02/77/34/212027734.db2.gz ZMLCVSXUIREIBP-APWZRJJASA-N 0 0 396.915 2.495 40 0 GEABRN NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc(F)cn2)CCO1 ZINC000257329434 212025684 /nfs/dbraw/zinc/02/56/84/212025684.db2.gz XJZKHCPKANMBHG-IBGZPJMESA-N 0 0 393.846 2.400 40 0 GEABRN CCCNC(=O)N(C)[C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O ZINC000257332629 212025776 /nfs/dbraw/zinc/02/57/76/212025776.db2.gz XYBSMADYFQPXAA-IRFCIJBXSA-N 0 0 375.513 2.415 40 0 GEABRN CCN1C(=O)C[C@@H](C(=O)N(CCO)Cc2cccnc2)[C@@H]1c1ccccc1C ZINC000257318708 212024846 /nfs/dbraw/zinc/02/48/46/212024846.db2.gz VPAQHXLKPXDLLD-CTNGQTDRSA-N 0 0 381.476 2.321 40 0 GEABRN COc1ccc(-c2cncc([C@@H]3CN(CC(=O)N4CCCC4)CCO3)n2)cc1 ZINC000257328669 212026589 /nfs/dbraw/zinc/02/65/89/212026589.db2.gz XGQSADLYHUBSFV-FQEVSTJZSA-N 0 0 382.464 2.148 40 0 GEABRN CC(C)[N@@H+]1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000257314261 212023455 /nfs/dbraw/zinc/02/34/55/212023455.db2.gz UWBXSGWVLOOEIN-HXUWFJFHSA-N 0 0 381.476 2.432 40 0 GEABRN CCn1nccc1-c1ncccc1C[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000257313211 212021952 /nfs/dbraw/zinc/02/19/52/212021952.db2.gz URKNOBXHUBYZEX-OAHLLOKOSA-N 0 0 377.514 2.026 40 0 GEABRN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000257295703 212020679 /nfs/dbraw/zinc/02/06/79/212020679.db2.gz QZNAAPFCYDRMFE-MJGOQNOKSA-N 0 0 393.915 2.088 40 0 GEABRN Cc1noc(C)c1-c1cc(CC[C@@H]2CN(C(=O)c3ccncn3)CCO2)ncn1 ZINC000257290016 212018811 /nfs/dbraw/zinc/01/88/11/212018811.db2.gz QBDJIYVIIVLLEI-MRXNPFEDSA-N 0 0 394.435 2.012 40 0 GEABRN Cc1noc(C)c1-c1cc(CC[C@H]2CN(C(=O)c3ccncn3)CCO2)ncn1 ZINC000257290015 212017712 /nfs/dbraw/zinc/01/77/12/212017712.db2.gz QBDJIYVIIVLLEI-INIZCTEOSA-N 0 0 394.435 2.012 40 0 GEABRN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257292351 212017764 /nfs/dbraw/zinc/01/77/64/212017764.db2.gz QLCATNGGTNRDFP-CQSZACIVSA-N 0 0 380.404 2.486 40 0 GEABRN CCn1nccc1-c1ccc(CC2CCN(S(=O)(=O)N(C)C)CC2)cn1 ZINC000257284611 212016684 /nfs/dbraw/zinc/01/66/84/212016684.db2.gz PDLRNSWVKHOUDQ-UHFFFAOYSA-N 0 0 377.514 2.026 40 0 GEABRN COCCC(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 ZINC000257275981 212016608 /nfs/dbraw/zinc/01/66/08/212016608.db2.gz NRVICSXFYKCFFN-INIZCTEOSA-N 0 0 388.512 2.047 40 0 GEABRN COCc1sc(-c2cc([C@H]3CCCN3S(C)(=O)=O)nc(C)n2)nc1C ZINC000257276067 212016388 /nfs/dbraw/zinc/01/63/88/212016388.db2.gz NSFXZMBYSMDPJC-CQSZACIVSA-N 0 0 382.511 2.460 40 0 GEABRN Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)Cc3cccnc3)C2)ncn1 ZINC000257271116 212014710 /nfs/dbraw/zinc/01/47/10/212014710.db2.gz MWXXPPMAAJKQOT-QGZVFWFLSA-N 0 0 376.464 2.296 40 0 GEABRN NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)c4ccccn4)CCO3)n2)c1 ZINC000257265259 212014498 /nfs/dbraw/zinc/01/44/98/212014498.db2.gz LXXCDYLSOUOWKP-HXUWFJFHSA-N 0 0 388.427 2.456 40 0 GEABRN COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCC(N)=O)CCCO2)cc1 ZINC000257266242 212015148 /nfs/dbraw/zinc/01/51/48/212015148.db2.gz MCCPOAXFLQBNSS-OAQYLSRUSA-N 0 0 386.423 2.195 40 0 GEABRN Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3cc(C)c(C)cc3[nH]2)[C@H]1O ZINC000257258612 212012024 /nfs/dbraw/zinc/01/20/24/212012024.db2.gz KUTGANDULBHFRH-FQELHTAISA-N 0 0 381.480 2.498 40 0 GEABRN CCN1C(=O)C[C@@H](C(=O)N(CCO)Cc2ccncc2)[C@@H]1c1ccccc1OC ZINC000257250397 212011175 /nfs/dbraw/zinc/01/11/75/212011175.db2.gz JMISOOLTLXWKFX-NQIIRXRSSA-N 0 0 397.475 2.021 40 0 GEABRN CCc1nc(-c2cncnc2[C@@H]2CN(C(=O)c3scnc3C)CCO2)no1 ZINC000257230411 212007912 /nfs/dbraw/zinc/00/79/12/212007912.db2.gz GCENHZINXRXNFL-LBPRGKRZSA-N 0 0 386.437 2.068 40 0 GEABRN CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCCC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257248101 212010338 /nfs/dbraw/zinc/01/03/38/212010338.db2.gz JCCRDNRYJUHBNS-QWFCFKBJSA-N 0 0 376.497 2.250 40 0 GEABRN COCCN1C(=O)CC[C@@H](C(=O)N(CCO)C(C)C)[C@@H]1c1ccccc1C ZINC000257238263 212009730 /nfs/dbraw/zinc/00/97/30/212009730.db2.gz HKEWKSKRMQQVGG-QUCCMNQESA-N 0 0 376.497 2.150 40 0 GEABRN CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000257237669 212009406 /nfs/dbraw/zinc/00/94/06/212009406.db2.gz HHNOPBWNIDQFRP-ZDUSSCGKSA-N 0 0 381.461 2.418 40 0 GEABRN COCCN1C(=O)C[C@@H](C(=O)NCCc2ccccn2)[C@@H]1c1cccc(C)c1 ZINC000257239648 212009430 /nfs/dbraw/zinc/00/94/30/212009430.db2.gz HQFYXOQRWJSDPQ-CTNGQTDRSA-N 0 0 381.476 2.285 40 0 GEABRN O=C(CN1CCCC1=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 ZINC000257219297 212005307 /nfs/dbraw/zinc/00/53/07/212005307.db2.gz DGIOJATUNNWOOO-YLJYHZDGSA-N 0 0 392.883 2.491 40 0 GEABRN CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)CCOC)CCO3)c2)s1 ZINC000257218001 212004850 /nfs/dbraw/zinc/00/48/50/212004850.db2.gz DBMIMWWJGAVRIY-HNNXBMFYSA-N 0 0 391.497 2.484 40 0 GEABRN Cc1nonc1CC(=O)N1CCC(Cc2cc(-c3c(C)noc3C)ncn2)CC1 ZINC000257206129 212004259 /nfs/dbraw/zinc/00/42/59/212004259.db2.gz BBZHRNPYZKGIRQ-UHFFFAOYSA-N 0 0 396.451 2.464 40 0 GEABRN O=C(CCCc1cn[nH]c1)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)c1 ZINC000257205816 212003877 /nfs/dbraw/zinc/00/38/77/212003877.db2.gz BASDDOCHSUDIMW-IHPCNDPISA-N 0 0 397.479 2.155 40 0 GEABRN Cc1ncc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)n2)n1C ZINC000257207623 212003732 /nfs/dbraw/zinc/00/37/32/212003732.db2.gz BINRDARTIUMWLO-INIZCTEOSA-N 0 0 391.479 2.379 40 0 GEABRN CCn1nccc1-c1cc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc(C)n1 ZINC000257206722 212003423 /nfs/dbraw/zinc/00/34/23/212003423.db2.gz BERJQGAGHAGIJH-KRWDZBQOSA-N 0 0 378.502 2.002 40 0 GEABRN CCCn1nccc1-c1cc(C)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000257204947 212003469 /nfs/dbraw/zinc/00/34/69/212003469.db2.gz AWZKDTZMFLNXBK-MRXNPFEDSA-N 0 0 378.502 2.002 40 0 GEABRN OCCNc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329034882 209157056 /nfs/dbraw/zinc/15/70/56/209157056.db2.gz RBXQFOTWEDHAEJ-UHFFFAOYSA-N 0 0 386.253 2.293 40 0 GEABRN O=S(=O)(Cc1ccccc1)NC[C@H]1COCc2nc3cc(F)ccc3n21 ZINC000096112503 211963574 /nfs/dbraw/zinc/96/35/74/211963574.db2.gz XLLNSYHVJNILEU-HNNXBMFYSA-N 0 0 375.425 2.366 40 0 biogenic,in-vitro GEABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOc3ccccc32)cc1 ZINC000226044414 211937856 /nfs/dbraw/zinc/93/78/56/211937856.db2.gz FFUYCFDIQWCFGQ-UHFFFAOYSA-N 0 0 390.461 2.131 40 0 GEABRN COc1ccc([C@H](CC(=O)N(C)Cc2ccccc2)NS(C)(=O)=O)cc1 ZINC000225956663 211936209 /nfs/dbraw/zinc/93/62/09/211936209.db2.gz ZKVORNKNIAZZKK-SFHVURJKSA-N 0 0 376.478 2.334 40 0 GEABRN CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1C(C)C ZINC000030879880 211933581 /nfs/dbraw/zinc/93/35/81/211933581.db2.gz NGLMAJKPVWKBCC-UFYCRDLUSA-N 0 0 377.529 2.058 40 0 biogenic,in-vitro GEABRN CSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)s1 ZINC000225065662 211882865 /nfs/dbraw/zinc/88/28/65/211882865.db2.gz YDDUCZADKUQGEC-UHFFFAOYSA-N 0 0 398.535 2.438 40 0 GEABRN C[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccncc2)n1 ZINC000328980404 209153371 /nfs/dbraw/zinc/15/33/71/209153371.db2.gz GMNDOVYFUUSEOB-SNVBAGLBSA-N 0 0 375.354 2.336 40 0 GEABRN COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1 ZINC000224670644 211869393 /nfs/dbraw/zinc/86/93/93/211869393.db2.gz UAEBWDXGQKUKAW-UHFFFAOYSA-N 0 0 377.418 2.150 40 0 GEABRN COC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2OC)s1 ZINC000224208250 211857400 /nfs/dbraw/zinc/85/74/00/211857400.db2.gz VUDXVYWYIXLFMS-SECBINFHSA-N 0 0 383.451 2.218 40 0 GEABRN CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(OC)c2)ccc1OC ZINC000223879697 211846583 /nfs/dbraw/zinc/84/65/83/211846583.db2.gz RDFAYRPVJBMEJQ-UHFFFAOYSA-N 0 0 392.477 2.274 40 0 GEABRN Cc1ccccc1OCCNC(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223666348 211840647 /nfs/dbraw/zinc/84/06/47/211840647.db2.gz IUOXBGQAKFTOEQ-UHFFFAOYSA-N 0 0 380.441 2.095 40 0 GEABRN CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2F)c1 ZINC000223014795 211819568 /nfs/dbraw/zinc/81/95/68/211819568.db2.gz SDYUOFCMFFTDKN-UHFFFAOYSA-N 0 0 380.441 2.405 40 0 GEABRN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)c1C ZINC000222613997 211804540 /nfs/dbraw/zinc/80/45/40/211804540.db2.gz KVAROMVSFGRNIV-AWEZNQCLSA-N 0 0 382.482 2.172 40 0 GEABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1ccccc1F)S(C)(=O)=O ZINC000220307265 211784966 /nfs/dbraw/zinc/78/49/66/211784966.db2.gz GXGLLCFLVVODMY-GFCCVEGCSA-N 0 0 394.424 2.025 40 0 GEABRN COC(=O)[C@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000019460705 211723709 /nfs/dbraw/zinc/72/37/09/211723709.db2.gz SFPGMLMXUYNMNH-NRTGNBEESA-N 0 0 388.420 2.269 40 0 GEABRN CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019500714 211722516 /nfs/dbraw/zinc/72/25/16/211722516.db2.gz GWGUQYZYCMCCGV-YGTYGHESSA-N 0 0 378.856 2.317 40 0 GEABRN CN1CCN(C(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)CC1 ZINC000019461359 211722352 /nfs/dbraw/zinc/72/23/52/211722352.db2.gz WFUHNIYHBGZCHV-UHFFFAOYSA-N 0 0 393.487 2.380 40 0 GEABRN OC(c1ccccc1)=C1[C@@H](c2cccnc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691795 211674868 /nfs/dbraw/zinc/67/48/68/211674868.db2.gz LKOSKKKYWCAGOJ-IOASZLSFSA-N 0 0 381.379 2.350 40 0 GEABRN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C2CCCCC2)n1 ZINC000006137862 211625709 /nfs/dbraw/zinc/62/57/09/211625709.db2.gz IFONMUWNUOGTAE-CWLKWCNXSA-N 0 0 388.512 2.417 40 0 biogenic,in-vitro GEABRN COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2cccc(C(C)=O)c2)c1 ZINC000006681451 211579062 /nfs/dbraw/zinc/57/90/62/211579062.db2.gz ZKERCZCWAISCOC-UHFFFAOYSA-N 0 0 396.490 2.470 40 0 GEABRN COCCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 ZINC000004890277 211554271 /nfs/dbraw/zinc/55/42/71/211554271.db2.gz MWKZNEQFIWZBDZ-HNNXBMFYSA-N 0 0 376.482 2.283 40 0 GEABRN Cc1ccc(C(=O)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000004231129 211537109 /nfs/dbraw/zinc/53/71/09/211537109.db2.gz NMRACWGWYPPSLW-UHFFFAOYSA-N 0 0 380.400 2.200 40 0 GEABRN COc1ccc(NC(=O)CSc2nnnn2-c2ccc(NC(C)=O)cc2)cc1 ZINC000001361357 211506807 /nfs/dbraw/zinc/50/68/07/211506807.db2.gz KCQXOHNQARRBAC-UHFFFAOYSA-N 0 0 398.448 2.360 40 0 GEABRN COc1ccccc1CNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000113967760 211471982 /nfs/dbraw/zinc/47/19/82/211471982.db2.gz MMALRASIHKPJLC-ZDUSSCGKSA-N 0 0 380.441 2.305 40 0 GEABRN CNC(=O)c1cc(S(=O)(=O)NCc2cccc(OC(C)C)c2)ccc1OC ZINC000113945153 211469889 /nfs/dbraw/zinc/46/98/89/211469889.db2.gz XXFMUJAVJGDEJK-UHFFFAOYSA-N 0 0 392.477 2.321 40 0 GEABRN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@]2(C3)Nc3ccccc3C(=O)N2)c(=O)[nH]1 ZINC000100752922 211390766 /nfs/dbraw/zinc/39/07/66/211390766.db2.gz REOZTTFZTRVREI-JORQVXCQSA-N 0 0 378.432 2.414 40 0 GEABRN COc1ccc(CC(=O)NCc2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)cc1 ZINC000100769348 211389984 /nfs/dbraw/zinc/38/99/84/211389984.db2.gz SBTCVZQQHHKNDH-UHFFFAOYSA-N 0 0 396.447 2.196 40 0 GEABRN Cc1cc(C(=O)N2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)no1 ZINC000096244268 211325208 /nfs/dbraw/zinc/32/52/08/211325208.db2.gz QROPNVIIGXAPLK-HXUWFJFHSA-N 0 0 377.404 2.149 40 0 GEABRN Cc1cccc(S(=O)(=O)N2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)c1 ZINC000096221603 211319357 /nfs/dbraw/zinc/31/93/57/211319357.db2.gz VHHXFNKXNGJTGT-INIZCTEOSA-N 0 0 388.493 2.209 40 0 GEABRN COCCn1cnc(-c2nc(C(=O)NCCc3cccnc3)c3ccccn32)c1 ZINC000096155020 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NC(=O)C1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 ZINC000225785176 532488066 /nfs/dbraw/zinc/48/80/66/532488066.db2.gz KDWUMIKTWFESPQ-UHFFFAOYSA-N 0 0 395.282 2.305 40 0 GEABRN Cc1nc2sc3c(c2c(N2CCN(S(C)(=O)=O)CC2)n1)CC[C@H](C)C3 ZINC000001377150 209324344 /nfs/dbraw/zinc/32/43/44/209324344.db2.gz GURKDSHEGOXPHB-NSHDSACASA-N 0 0 380.539 2.206 40 0 GEABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n1c1ccccc1c(=O)n2C ZINC000001331669 209319384 /nfs/dbraw/zinc/31/93/84/209319384.db2.gz OYFXQXRJFMMTJL-STQMWFEESA-N 0 0 385.493 2.463 40 0 GEABRN CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000001097739 209299007 /nfs/dbraw/zinc/29/90/07/209299007.db2.gz AMYUEBKYAALKOA-CQSZACIVSA-N 0 0 383.242 2.345 40 0 GEABRN COC(=O)c1nnc2sc(-c3ccc(I)cc3)nn21 ZINC000057339042 209213687 /nfs/dbraw/zinc/21/36/87/209213687.db2.gz VZOVTOFSSJOTIC-UHFFFAOYSA-N 0 0 386.174 2.244 40 0 GEABRN O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCCCC1 ZINC000002465381 209190490 /nfs/dbraw/zinc/19/04/90/209190490.db2.gz STSJKWQIAZBLQC-UHFFFAOYSA-N 0 0 381.317 2.192 40 0 GEABRN CC1(C)Oc2ccc(C(=O)NC3CC3)cc2N(CC(=O)NC2CCCC2)C1=O ZINC000004965781 209188937 /nfs/dbraw/zinc/18/89/37/209188937.db2.gz SKNOTSBWXMANKL-UHFFFAOYSA-N 0 0 385.464 2.142 40 0 GEABRN O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)C1CCCC1 ZINC000005236399 212064191 /nfs/dbraw/zinc/06/41/91/212064191.db2.gz FGAXOGFZRLFUMQ-UHFFFAOYSA-N 0 0 395.506 2.446 40 0 GEABRN Cc1nc(CN2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3S2(=O)=O)cs1 ZINC000306144523 212055415 /nfs/dbraw/zinc/05/54/15/212055415.db2.gz ZHQNKKLLYMRHFZ-WMLDXEAASA-N 0 0 381.498 2.237 40 0 GEABRN CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306143213 212054491 /nfs/dbraw/zinc/05/44/91/212054491.db2.gz XWMFPBHTLDCEJZ-QZTJIDSGSA-N 0 0 391.468 2.248 40 0 GEABRN O=C(NCC[C@H]1CN(Cc2cccnc2)Cc2ccnn21)C1CC(F)(F)C1 ZINC000306143796 212054572 /nfs/dbraw/zinc/05/45/72/212054572.db2.gz YMTICLCZVLZGFL-INIZCTEOSA-N 0 0 375.423 2.387 40 0 GEABRN O=C(C1CC1)N1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306140893 212054044 /nfs/dbraw/zinc/05/40/44/212054044.db2.gz VGGHUKJTDADONC-NZQKXSOJSA-N 0 0 391.471 2.215 40 0 GEABRN COc1ccc(-c2cnc3n2C[C@@]2(CCN(C(=O)c4ccnn4C)C2)OC3)cc1 ZINC000306138139 212053809 /nfs/dbraw/zinc/05/38/09/212053809.db2.gz RQEJAALGABUYPS-NRFANRHFSA-N 0 0 393.447 2.107 40 0 GEABRN Cc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCNC(=O)c2cccnc2)c1 ZINC000306140045 212053554 /nfs/dbraw/zinc/05/35/54/212053554.db2.gz UIEXGNKJSVYNIJ-LJQANCHMSA-N 0 0 379.460 2.441 40 0 GEABRN CC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC000306132341 212049644 /nfs/dbraw/zinc/04/96/44/212049644.db2.gz LFZMDZHCLNKAJM-GHTZIAJQSA-N 0 0 381.480 2.224 40 0 GEABRN CN1C[C@@]2(CCN(Cc3cccc(F)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306130494 212047575 /nfs/dbraw/zinc/04/75/75/212047575.db2.gz JIBSXLJURFZHAF-LJQANCHMSA-N 0 0 376.453 2.483 40 0 GEABRN Cn1nccc1C(=O)N1C[C@H]2c3cc(-c4ccco4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306128080 212047461 /nfs/dbraw/zinc/04/74/61/212047461.db2.gz GPOUYGLYMQTWIE-KBXCAEBGSA-N 0 0 383.429 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40 0 GEABRN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000257297938 212019322 /nfs/dbraw/zinc/01/93/22/212019322.db2.gz RJKWUZYEKIPYBE-MRXNPFEDSA-N 0 0 393.447 2.119 40 0 GEABRN Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000257293328 212018770 /nfs/dbraw/zinc/01/87/70/212018770.db2.gz QPAFNHPZFJAFMJ-OAQYLSRUSA-N 0 0 395.463 2.278 40 0 GEABRN Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257293265 212017938 /nfs/dbraw/zinc/01/79/38/212017938.db2.gz QOTTYGAERGWKPX-BRWVUGGUSA-N 0 0 376.428 2.176 40 0 GEABRN COCCC(=O)N1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 ZINC000257275982 212016705 /nfs/dbraw/zinc/01/67/05/212016705.db2.gz NRVICSXFYKCFFN-MRXNPFEDSA-N 0 0 388.512 2.047 40 0 GEABRN Cn1ccnc1-c1cnc(C[C@@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)cn1 ZINC000257274292 212014504 /nfs/dbraw/zinc/01/45/04/212014504.db2.gz NKKAAEZDCHURNG-AWEZNQCLSA-N 0 0 387.447 2.458 40 0 GEABRN Cn1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)n1 ZINC000257282766 212015552 /nfs/dbraw/zinc/01/55/52/212015552.db2.gz OVEZKFSBAJEFHD-UHFFFAOYSA-N 0 0 390.871 2.250 40 0 GEABRN Cc1ncsc1C(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[nH]c1=O)O2 ZINC000257273932 212015118 /nfs/dbraw/zinc/01/51/18/212015118.db2.gz NIVHFLWHYGNLCO-QGHHPUGFSA-N 0 0 376.438 2.262 40 0 GEABRN COc1cccc2c1OC1(CCN(C(=O)CNC(C)=O)CC1)[C@H]1CCCO[C@H]21 ZINC000257262637 212012981 /nfs/dbraw/zinc/01/29/81/212012981.db2.gz LMEHGODIKUQKCF-QFBILLFUSA-N 0 0 388.464 2.053 40 0 GEABRN CN(C)S(=O)(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 ZINC000257258910 212013084 /nfs/dbraw/zinc/01/30/84/212013084.db2.gz KWBCGHXYWNXQDT-UHFFFAOYSA-N 0 0 390.513 2.066 40 0 GEABRN CC(=O)N1[C@@H](CNC(=O)c2sc(C)nc2C)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257257983 212011984 /nfs/dbraw/zinc/01/19/84/212011984.db2.gz KRWSYJRLQCMZCH-OAFZBRQQSA-N 0 0 379.526 2.420 40 0 GEABRN CC(C)n1nccc1-c1cccc(C[C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257246762 212011118 /nfs/dbraw/zinc/01/11/18/212011118.db2.gz IVSXGLYQUZNTBP-OAHLLOKOSA-N 0 0 377.514 2.197 40 0 GEABRN Cc1ncsc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(N)=O)C1 ZINC000257226265 212007807 /nfs/dbraw/zinc/00/78/07/212007807.db2.gz FJXQAYRHGDAXFH-WFASDCNBSA-N 0 0 377.441 2.376 40 0 GEABRN CCC(=O)N(C)Cc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc(N(C)C)n1 ZINC000257231083 212007047 /nfs/dbraw/zinc/00/70/47/212007047.db2.gz GFDWIJHWURNCDK-KRWDZBQOSA-N 0 0 395.507 2.427 40 0 GEABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cc(C)no2)CC1 ZINC000257233245 212006849 /nfs/dbraw/zinc/00/68/49/212006849.db2.gz GOKDOQLEBHAVGV-WOIUINJBSA-N 0 0 399.491 2.433 40 0 GEABRN COCC(=O)NCc1cn(C)nc1C1CCN(Cc2c(F)cccc2F)CC1 ZINC000257228602 212006393 /nfs/dbraw/zinc/00/63/93/212006393.db2.gz FUNNISAHEJUZSW-UHFFFAOYSA-N 0 0 392.450 2.341 40 0 GEABRN CN(CCCC(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1)c1ccccc1 ZINC000257218090 212005206 /nfs/dbraw/zinc/00/52/06/212005206.db2.gz DBWKMJGZTQOAEV-NRFANRHFSA-N 0 0 394.519 2.101 40 0 GEABRN CC(=O)NCC(=O)N1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n21 ZINC000257220757 212005186 /nfs/dbraw/zinc/00/51/86/212005186.db2.gz DMABSYOMIRRWOC-INIZCTEOSA-N 0 0 381.411 2.335 40 0 GEABRN CCN1C(=O)C[C@@H](C(=O)NCCCN2CCOCC2)[C@@H]1c1ccccc1Cl ZINC000257210273 212003826 /nfs/dbraw/zinc/00/38/26/212003826.db2.gz BTXKCHHBNCUJGM-APWZRJJASA-N 0 0 393.915 2.088 40 0 GEABRN COC(=O)CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257205295 212003494 /nfs/dbraw/zinc/00/34/94/212003494.db2.gz AYKKYZUHJWCYRV-GOSISDBHSA-N 0 0 393.871 2.241 40 0 GEABRN CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(C(=O)CN1CCCC1=O)CC2 ZINC000257207609 212003523 /nfs/dbraw/zinc/00/35/23/212003523.db2.gz BIMAXNCMROZHPJ-SFHVURJKSA-N 0 0 389.471 2.034 40 0 GEABRN O=C(COC1CCCC1)N1CC2(C1)C[C@H](CCOc1ncccn1)CCO2 ZINC000247727279 211977937 /nfs/dbraw/zinc/97/79/37/211977937.db2.gz DNADGLZCFDSVSC-MRXNPFEDSA-N 0 0 375.469 2.212 40 0 GEABRN COc1ccc(O[C@H]2COCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000096269043 211968713 /nfs/dbraw/zinc/96/87/13/211968713.db2.gz ZDYHMIISQLNBPO-QGZVFWFLSA-N 0 0 381.425 2.303 40 0 biogenic,in-vitro GEABRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2ccc(N)nc2=O)CS1 ZINC000096031730 211962724 /nfs/dbraw/zinc/96/27/24/211962724.db2.gz QMYKWNYBSBURDT-FWXUTCFWSA-N 0 0 381.498 2.418 40 0 GEABRN COc1ccc([C@@H](CC(=O)NCCc2ccccc2)NS(C)(=O)=O)cc1 ZINC000225954905 211935948 /nfs/dbraw/zinc/93/59/48/211935948.db2.gz GUBWXOMRWVYUAA-GOSISDBHSA-N 0 0 376.478 2.035 40 0 GEABRN COc1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225936334 211935703 /nfs/dbraw/zinc/93/57/03/211935703.db2.gz KRUGDLGFDZIUFY-UHFFFAOYSA-N 0 0 393.900 2.462 40 0 GEABRN OCCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccncc2)n1 ZINC000328978774 209154837 /nfs/dbraw/zinc/15/48/37/209154837.db2.gz GAVYCDHVMPCFCG-UHFFFAOYSA-N 0 0 375.354 2.338 40 0 GEABRN CCNc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(-c2ccncc2)n1 ZINC000328975419 209154911 /nfs/dbraw/zinc/15/49/11/209154911.db2.gz FKDGTIDVEVLPMY-UHFFFAOYSA-N 0 0 379.420 2.353 40 0 GEABRN OCCCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccncc2)n1 ZINC000328970801 209153946 /nfs/dbraw/zinc/15/39/46/209153946.db2.gz DMNWYTDGVKNCPN-UHFFFAOYSA-N 0 0 375.354 2.338 40 0 GEABRN Cn1c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2sc1=O ZINC000225040446 211880521 /nfs/dbraw/zinc/88/05/21/211880521.db2.gz BJESKWIIPOBTKQ-UHFFFAOYSA-N 0 0 377.447 2.224 40 0 GEABRN COC(=O)c1ccc(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)cc1OC ZINC000328961502 209153334 /nfs/dbraw/zinc/15/33/34/209153334.db2.gz BDJVMIUWAWMNHX-UHFFFAOYSA-N 0 0 391.431 2.496 40 0 GEABRN C[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224004660 211849961 /nfs/dbraw/zinc/84/99/61/211849961.db2.gz VXSGYVOPVLXOIX-CQSZACIVSA-N 0 0 380.441 2.175 40 0 GEABRN COc1ccc(OCCNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000223705272 211842013 /nfs/dbraw/zinc/84/20/13/211842013.db2.gz FUOGVYUMYPDNOH-HNNXBMFYSA-N 0 0 392.477 2.045 40 0 GEABRN Cc1cc(C)cc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 ZINC000223625273 211838124 /nfs/dbraw/zinc/83/81/24/211838124.db2.gz VYNDOKYOGOSFGR-UHFFFAOYSA-N 0 0 376.478 2.265 40 0 GEABRN COc1cccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1 ZINC000222911337 211815989 /nfs/dbraw/zinc/81/59/89/211815989.db2.gz XOOKYSRDLIHSSI-UHFFFAOYSA-N 0 0 378.450 2.231 40 0 GEABRN CCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000222937336 211815688 /nfs/dbraw/zinc/81/56/88/211815688.db2.gz KZKJWFXXHZVRNH-UHFFFAOYSA-N 0 0 378.450 2.353 40 0 GEABRN COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000222633178 211804526 /nfs/dbraw/zinc/80/45/26/211804526.db2.gz XWOFVLZOMJRCTE-UHFFFAOYSA-N 0 0 392.477 2.424 40 0 GEABRN C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1F)S(C)(=O)=O ZINC000220303358 211784634 /nfs/dbraw/zinc/78/46/34/211784634.db2.gz RINNUKILLOZWMT-LBPRGKRZSA-N 0 0 394.424 2.390 40 0 GEABRN CCOC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(C)c1 ZINC000219017363 211764914 /nfs/dbraw/zinc/76/49/14/211764914.db2.gz AZHBWXKFVUTUJW-IYBDPMFKSA-N 0 0 384.432 2.452 40 0 GEABRN COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000000783283 211488125 /nfs/dbraw/zinc/48/81/25/211488125.db2.gz YEWGLBMWVXQQSQ-UHFFFAOYSA-N 0 0 398.448 2.360 40 0 GEABRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccccc2OC)cc1 ZINC000101309889 211397959 /nfs/dbraw/zinc/39/79/59/211397959.db2.gz PYAXGDHEDMYGEU-HSALFYBXSA-N 0 0 393.443 2.239 40 0 GEABRN Cc1ccc(CC(=O)NCc2cc(=O)n3[n-]c(C4CCOCC4)cc3n2)cc1 ZINC000100769354 211391214 /nfs/dbraw/zinc/39/12/14/211391214.db2.gz INMCDCHTIMBYAL-UHFFFAOYSA-N 0 0 380.448 2.496 40 0 GEABRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2N2CCCN12 ZINC000100166693 211384837 /nfs/dbraw/zinc/38/48/37/211384837.db2.gz SMVANDQTWFRJRY-QYZOEREBSA-N 0 0 381.407 2.370 40 0 GEABRN CC(C)n1cnc2c1[C@@H](C(=O)Nc1cccc(F)c1)N(S(C)(=O)=O)CC2 ZINC000096265066 211327198 /nfs/dbraw/zinc/32/71/98/211327198.db2.gz YESUIVJGTJGWRN-INIZCTEOSA-N 0 0 380.445 2.101 40 0 GEABRN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(C(=O)NC1CCCC1)CC2 ZINC000096260354 211326132 /nfs/dbraw/zinc/32/61/32/211326132.db2.gz QTTAADZSBPRPMW-UHFFFAOYSA-N 0 0 387.528 2.339 40 0 GEABRN Cc1ccc(S(=O)(=O)N2CCC3(CC[C@H](C(=O)NCC4CC4)O3)CC2)cc1 ZINC000096260893 211325906 /nfs/dbraw/zinc/32/59/06/211325906.db2.gz PBVXVVNNVAZLAM-GOSISDBHSA-N 0 0 392.521 2.224 40 0 GEABRN CC(C)NC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 ZINC000096251446 211325219 /nfs/dbraw/zinc/32/52/19/211325219.db2.gz OQBOOSBTFRDMBW-AVRDEDQJSA-N 0 0 399.539 2.244 40 0 GEABRN CCN1[C@H]2CCN(C(=O)CC3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145728 211309387 /nfs/dbraw/zinc/30/93/87/211309387.db2.gz ZMZCJYIVFLYAQA-HOTGVXAUSA-N 0 0 378.494 2.249 40 0 GEABRN CCN1[C@H]2CCN(c3ncc(F)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145726 211309391 /nfs/dbraw/zinc/30/93/91/211309391.db2.gz RXVJJOBDCFZGGC-GJZGRUSLSA-N 0 0 392.456 2.056 40 0 GEABRN CC(C)CN1[C@H]2CCN(C(=O)C3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145776 211309268 /nfs/dbraw/zinc/30/92/68/211309268.db2.gz DXJJGKCYFJWZNY-IRXDYDNUSA-N 0 0 392.521 2.495 40 0 GEABRN Cn1cc(-c2cnc3n2CCC32CCN(S(=O)(=O)c3ccccc3)CC2)cn1 ZINC000096243510 211324892 /nfs/dbraw/zinc/32/48/92/211324892.db2.gz RXPRCJIAXDKKFW-UHFFFAOYSA-N 0 0 397.504 2.410 40 0 GEABRN CN(C)c1nc(N2CCCC2)nc2c1CN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000096253981 211324409 /nfs/dbraw/zinc/32/44/09/211324409.db2.gz WCLILQTVKMXCTA-UHFFFAOYSA-N 0 0 395.463 2.070 40 0 GEABRN COc1cccc(C(=O)N2CC[C@]3(C2)COCc2c(C)nc(N(C)C)nc23)c1 ZINC000096244425 211324275 /nfs/dbraw/zinc/32/42/75/211324275.db2.gz ZMVSRXKHRDWSQK-NRFANRHFSA-N 0 0 382.464 2.174 40 0 GEABRN Cc1nc(CN2CCO[C@H]3CN(C(=O)Cc4ccc(F)cc4)C[C@H]32)cs1 ZINC000096248777 211324066 /nfs/dbraw/zinc/32/40/66/211324066.db2.gz AMEVTRNMHBOLEI-MSOLQXFVSA-N 0 0 375.469 2.245 40 0 GEABRN Cc1cccc(NC(=O)N2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)c1 ZINC000096240950 211323795 /nfs/dbraw/zinc/32/37/95/211323795.db2.gz RFDIOQAGVNHADR-SFHVURJKSA-N 0 0 387.480 2.114 40 0 GEABRN O=C(NCc1cccnc1)C1=NO[C@]2(C1)CCCN(C(=O)NC1CCCCC1)C2 ZINC000096225137 211319517 /nfs/dbraw/zinc/31/95/17/211319517.db2.gz VUTNSQJPVFGAGP-NRFANRHFSA-N 0 0 399.495 2.351 40 0 GEABRN O=S(=O)(c1ccc(F)cc1)N1CC[C@@]2(C[C@H](Nc3nccs3)CO2)C1 ZINC000096072831 211298607 /nfs/dbraw/zinc/29/86/07/211298607.db2.gz TWOHHDVQEXOFTM-XJKSGUPXSA-N 0 0 383.470 2.316 40 0 GEABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)Oc2ccccc21 ZINC000096053280 211297681 /nfs/dbraw/zinc/29/76/81/211297681.db2.gz ACIVBIUGLQOGNJ-HNNXBMFYSA-N 0 0 380.448 2.154 40 0 GEABRN O=C(c1ccncc1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 ZINC000096145351 211308502 /nfs/dbraw/zinc/30/85/02/211308502.db2.gz YNGRVIWOBCGJNH-RTBURBONSA-N 0 0 385.489 2.148 40 0 GEABRN CCOc1cc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O ZINC000095101362 211219747 /nfs/dbraw/zinc/21/97/47/211219747.db2.gz VCAXNSSSFNQRAG-OXFYSEKESA-N 0 0 390.436 2.226 40 0 GEABRN CCc1nn2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)nc2s1 ZINC000078547076 211147998 /nfs/dbraw/zinc/14/79/98/211147998.db2.gz FFIBDIURSNONJJ-UHFFFAOYSA-N 0 0 378.479 2.041 40 0 GEABRN COc1cccc(OC)c1CN1CCc2nnc([C@@H]3CCCN3C(C)=O)n2CC1 ZINC000072372785 211103663 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GEABRN COc1cccc(C(=O)N2CC[C@H](C(=O)N(C)Cc3c(C)nn(C)c3C)C2)c1 ZINC000072392170 222248464 /nfs/dbraw/zinc/24/84/64/222248464.db2.gz OFNAZKYKIRMERE-KRWDZBQOSA-N 0 0 384.480 2.166 40 0 GEABRN COc1ccc([C@H]2CN(C(=O)c3nccn3C)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000072391581 222248857 /nfs/dbraw/zinc/24/88/57/222248857.db2.gz XLDNZUXSYCZBJU-GUDVDZBRSA-N 0 0 382.464 2.048 40 0 GEABRN CCOC(=O)[C@H]1C[C@H]2C(=O)CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095951504 222364347 /nfs/dbraw/zinc/36/43/47/222364347.db2.gz QBYPKINOCXNXSV-BRWVUGGUSA-N 0 0 379.478 2.449 40 0 GEABRN O=C(c1ccncc1)N1CCC2(CC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000096051654 222374441 /nfs/dbraw/zinc/37/44/41/222374441.db2.gz XIQUJJLNXLYWCB-GOSISDBHSA-N 0 0 385.489 2.445 40 0 GEABRN CN(C)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096052735 222375323 /nfs/dbraw/zinc/37/53/23/222375323.db2.gz XGIGJLHPUXKLRP-OAHLLOKOSA-N 0 0 376.522 2.478 40 0 GEABRN CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNC(=O)COc2ccccc2)COC1 ZINC000096112485 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PNBXTQZTTKBEDA-SJLPKXTDSA-N 0 0 380.510 2.217 40 0 GEABRN O=S(=O)(c1cccs1)N1CCC[C@@]2(C1)COCCN(c1cccnc1)C2 ZINC000096229030 222399454 /nfs/dbraw/zinc/39/94/54/222399454.db2.gz LKCMDTDXRXJSSG-GOSISDBHSA-N 0 0 393.534 2.451 40 0 GEABRN COc1ccc(NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)N2CCCC2)C3)cc1 ZINC000096225170 222399487 /nfs/dbraw/zinc/39/94/87/222399487.db2.gz HCMIUUALNYRHNQ-HXUWFJFHSA-N 0 0 386.452 2.460 40 0 GEABRN O=C(NCc1ccncc1)[C@@H]1C[C@@]12CCN(C(=O)NCc1cccc(F)c1)C2 ZINC000096227497 222399865 /nfs/dbraw/zinc/39/98/65/222399865.db2.gz FBDLYIQAMYUYIC-GHTZIAJQSA-N 0 0 382.439 2.459 40 0 GEABRN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C(=O)c2cccnc2)C1 ZINC000096244506 222403579 /nfs/dbraw/zinc/40/35/79/222403579.db2.gz FVVLDKUVGXLDGQ-OAQYLSRUSA-N 0 0 379.464 2.316 40 0 GEABRN O=C([C@@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)O1)N1CCCC1 ZINC000096260910 222405115 /nfs/dbraw/zinc/40/51/15/222405115.db2.gz PAKYNMXXDPIXGB-KRWDZBQOSA-N 0 0 378.494 2.011 40 0 GEABRN COc1cccc(CNC(=O)c2ccc3nnc([C@H]4CCN(C(C)=O)C4)n3c2)c1 ZINC000096267694 222406073 /nfs/dbraw/zinc/40/60/73/222406073.db2.gz SQLMCEXAEFIMLF-INIZCTEOSA-N 0 0 393.447 2.004 40 0 GEABRN CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OCC)cc2)ccc1OC ZINC000113946284 222520476 /nfs/dbraw/zinc/52/04/76/222520476.db2.gz WFHAOOUXBCBNEX-UHFFFAOYSA-N 0 0 392.477 2.322 40 0 GEABRN COC(=O)[C@]1(C)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169355611 222537887 /nfs/dbraw/zinc/53/78/87/222537887.db2.gz OMQWKBLGWQPJBD-OZQHCQBDSA-N 0 0 394.427 2.077 40 0 GEABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000408713673 533956879 /nfs/dbraw/zinc/95/68/79/533956879.db2.gz KPYPJKGHUJMVPA-CYBMUJFWSA-N 0 0 384.473 2.294 40 0 GEABRN COc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)c(OC)c1 ZINC000020237083 533984238 /nfs/dbraw/zinc/98/42/38/533984238.db2.gz LDZZAEYRAWXOAE-UHFFFAOYSA-N 0 0 382.413 2.248 40 0 GEABRN COc1ccc(N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 ZINC000408920986 533986373 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2.117 40 0 GEABRN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)CC)c2)CC1 ZINC000408697138 528643732 /nfs/dbraw/zinc/64/37/32/528643732.db2.gz HWAGDTNGASKSSN-UHFFFAOYSA-N 0 0 398.481 2.008 40 0 GEABRN Cn1ccnc1CN1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290349 560029771 /nfs/dbraw/zinc/02/97/71/560029771.db2.gz YCLOLGYALXEECY-QUCCMNQESA-N 0 0 389.459 2.200 40 0 biogenic,in-vitro GEABRN CCC(CC)C(=O)N1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 ZINC000225472644 560043196 /nfs/dbraw/zinc/04/31/96/560043196.db2.gz SZZQQUTXGHBIQV-UHFFFAOYSA-N 0 0 394.585 2.137 40 0 biogenic,in-vitro GEABRN COc1cccc(CN2CCOC[C@H](Oc3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC000096269039 560054319 /nfs/dbraw/zinc/05/43/19/560054319.db2.gz AZBMASWUYNLFDG-LJQANCHMSA-N 0 0 391.489 2.379 40 0 biogenic,in-vitro GEABRN COCc1c(C)onc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000019718605 570209930 /nfs/dbraw/zinc/20/99/30/570209930.db2.gz PDHITGAAWLZZSB-UHFFFAOYSA-N 0 0 393.465 2.475 40 0 GEABRN 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GEABRN O=C(Cc1cccs1)N1CCC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096074353 222376247 /nfs/dbraw/zinc/37/62/47/222376247.db2.gz KYYPDOXKKTXARJ-FQEVSTJZSA-N 0 0 398.488 2.140 40 0 GEABRN O=C(Cc1cccc(F)c1)N1CCC2(CC1)COCCN(c1ncccn1)C2 ZINC000096078242 222377447 /nfs/dbraw/zinc/37/74/47/222377447.db2.gz MMKNYRLVZZGTPQ-UHFFFAOYSA-N 0 0 384.455 2.304 40 0 GEABRN Cc1nnsc1C(=O)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096099567 222380595 /nfs/dbraw/zinc/38/05/95/222380595.db2.gz DMIGFRJXRYKADK-NNQSOWQGSA-N 0 0 377.491 2.456 40 0 GEABRN O=C(c1ccno1)N1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111660 222381905 /nfs/dbraw/zinc/38/19/05/222381905.db2.gz UCEXHDWMJNZDHY-RDJZCZTQSA-N 0 0 390.399 2.279 40 0 biogenic,in-vitro GEABRN CCN1[C@H]2CCN(C(=O)NCC(C)C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145739 222389548 /nfs/dbraw/zinc/38/95/48/222389548.db2.gz TWLRHPWYYXPRHS-HOTGVXAUSA-N 0 0 395.525 2.288 40 0 GEABRN CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 ZINC000096145902 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CC[C@@H](C)NC(=O)Cn1c2ccsc2c(=O)n(CCc2ccccc2)c1=O ZINC000006679386 570673900 /nfs/dbraw/zinc/67/39/00/570673900.db2.gz OZKPMWDRZSHLHQ-CQSZACIVSA-N 0 0 385.489 2.382 40 0 GEABRN COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccsc2c(=O)n(C)c1=O ZINC000006679692 570674090 /nfs/dbraw/zinc/67/40/90/570674090.db2.gz ZEPPSDQCXGASPF-UHFFFAOYSA-N 0 0 393.852 2.371 40 0 GEABRN CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000260507372 570681896 /nfs/dbraw/zinc/68/18/96/570681896.db2.gz KRJKQGHPDHVLEB-HOCLYGCPSA-N 0 0 380.510 2.467 40 0 GEABRN COCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCC[C@H](C)C2)n1 ZINC000260742473 570702504 /nfs/dbraw/zinc/70/25/04/570702504.db2.gz WLENXHAVMKQDCP-AWEZNQCLSA-N 0 0 378.546 2.246 40 0 GEABRN CCOC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000100419979 570707495 /nfs/dbraw/zinc/70/74/95/570707495.db2.gz LUISWFYDDSIQLS-DLRJPAPCSA-N 0 0 398.484 2.168 40 0 GEABRN O=C(COC1CCCC1)N1CC2(C1)C[C@@H](CCOc1cnccn1)CCO2 ZINC000247723523 570715658 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GEABRN Cn1cc(CN2CCO[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C2)cn1 ZINC000257202858 570760309 /nfs/dbraw/zinc/76/03/09/570760309.db2.gz ANRYOVTWVIRGSL-FQEVSTJZSA-N 0 0 385.443 2.477 40 0 GEABRN O=C(c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC1 ZINC000257215313 570762145 /nfs/dbraw/zinc/76/21/45/570762145.db2.gz CPOJWQCHXKERNR-OAHLLOKOSA-N 0 0 388.493 2.214 40 0 GEABRN CO[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@]12CCCO2 ZINC000257239254 570767561 /nfs/dbraw/zinc/76/75/61/570767561.db2.gz HOOUEODYHVDTAX-UYAOXDASSA-N 0 0 376.453 2.056 40 0 GEABRN CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000257240712 570767999 /nfs/dbraw/zinc/76/79/99/570767999.db2.gz HUTXCCAWXVXMPW-SFHVURJKSA-N 0 0 379.508 2.455 40 0 GEABRN CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cnc4ncccn34)c2)CC1 ZINC000257253608 570770472 /nfs/dbraw/zinc/77/04/72/570770472.db2.gz JZOZLVUWZPVPHU-HNNXBMFYSA-N 0 0 385.493 2.396 40 0 GEABRN CC(=O)N[C@H]1CC[C@](CNC(=O)c2ncccc2C)(c2ccccc2)CC[C@@H]1O ZINC000257256035 570771025 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Cc1noc(C)c1-c1cc(CC[C@@H]2CN(C(=O)c3ccnnc3)CCO2)ncn1 ZINC000257288190 570776557 /nfs/dbraw/zinc/77/65/57/570776557.db2.gz PTGPVVGOCKDZSQ-QGZVFWFLSA-N 0 0 394.435 2.012 40 0 GEABRN CC(=O)NCc1cnn(-c2ccccc2C(=O)N(C)CCc2ccccn2)c1 ZINC000257293106 570776970 /nfs/dbraw/zinc/77/69/70/570776970.db2.gz QOCZNGIUCBQTJJ-UHFFFAOYSA-N 0 0 377.448 2.218 40 0 GEABRN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257292350 570777037 /nfs/dbraw/zinc/77/70/37/570777037.db2.gz QLCATNGGTNRDFP-AWEZNQCLSA-N 0 0 380.404 2.486 40 0 GEABRN Cc1noc(C)c1CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O ZINC000257302355 570778616 /nfs/dbraw/zinc/77/86/16/570778616.db2.gz SCPBELNCTRVCJY-QUCCMNQESA-N 0 0 397.475 2.065 40 0 GEABRN CCN(CC)S(=O)(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257310709 570779841 /nfs/dbraw/zinc/77/98/41/570779841.db2.gz UGEYNCXNYPOFSY-UHFFFAOYSA-N 0 0 390.513 2.381 40 0 GEABRN CCCN1CCN(CC(=O)NC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257320596 570781278 /nfs/dbraw/zinc/78/12/78/570781278.db2.gz VXMYATQNYIUCTE-HXUWFJFHSA-N 0 0 394.519 2.208 40 0 GEABRN O=C(CCN1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1)N1CCOCC1 ZINC000257328006 570782431 /nfs/dbraw/zinc/78/24/31/570782431.db2.gz XDTFHZBCPHOBTO-QFIPXVFZSA-N 0 0 395.503 2.295 40 0 GEABRN CNC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccc(C)nc1 ZINC000257327606 570782563 /nfs/dbraw/zinc/78/25/63/570782563.db2.gz XCALUHLYPJNWFD-MRXNPFEDSA-N 0 0 378.436 2.160 40 0 GEABRN CNc1nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CN(C)CC2 ZINC000257333194 570783006 /nfs/dbraw/zinc/78/30/06/570783006.db2.gz YAOJWZOQFDYJIU-OAHLLOKOSA-N 0 0 383.471 2.204 40 0 GEABRN Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H](N3CCOCC3)CC2)cc(C)c1Cl ZINC000257338071 570783924 /nfs/dbraw/zinc/78/39/24/570783924.db2.gz YVRZNARGMOAGNZ-ROUUACIJSA-N 0 0 396.915 2.020 40 0 GEABRN CC(C)(C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)n1cc(N)cn1 ZINC000659257334 570790508 /nfs/dbraw/zinc/79/05/08/570790508.db2.gz DHPZJFRMFFQKPK-UHFFFAOYSA-N 0 0 399.539 2.088 40 0 GEABRN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(COC)C(N)=S ZINC000218210143 570816600 /nfs/dbraw/zinc/81/66/00/570816600.db2.gz NPJCLHVEWDHRTM-SGMGOOAPSA-N 0 0 392.340 2.269 40 0 GEABRN [NH3+][C@@]1(C(=O)[O-])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218219566 570817021 /nfs/dbraw/zinc/81/70/21/570817021.db2.gz NFBRGYBLEKQUDP-YCPHGPKFSA-N 0 0 396.262 2.171 40 0 GEABRN COc1ccc(CN(C)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000177561878 570833869 /nfs/dbraw/zinc/83/38/69/570833869.db2.gz YSSVBIDFGZGZMQ-UHFFFAOYSA-N 0 0 376.478 2.115 40 0 GEABRN Cc1cc(=O)[nH]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccccc2)CC4=O)n1 ZINC000013639677 570862889 /nfs/dbraw/zinc/86/28/89/570862889.db2.gz DFCMTHHKCLEOMD-CYBMUJFWSA-N 0 0 387.399 2.431 40 0 GEABRN O=C(NC[C@@H]1CC[C@@H](C(=O)NCCN2CCc3ccccc32)CC1)[C@H]1CCOC1 ZINC000257206734 570888253 /nfs/dbraw/zinc/88/82/53/570888253.db2.gz BESFRBBYNHFPDG-IHPCNDPISA-N 0 0 399.535 2.124 40 0 GEABRN COc1ccc(-c2cc(=O)[nH]c(N3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000014606948 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