smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(F)c(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000181231093 199269245 /nfs/dbraw/zinc/26/92/45/199269245.db2.gz IXKZIDOAQRVFCO-GFCCVEGCSA-N 0 3 311.357 1.629 10 0 DDAEHN C[C@@H](CS(C)(=O)=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC000081902320 192336650 /nfs/dbraw/zinc/33/66/50/192336650.db2.gz CGACJPDMOGWLAJ-HOCLYGCPSA-N 0 3 310.463 1.326 10 0 DDAEHN CN(C)C[C@@H]1CN(CCOCC(F)(F)C(F)F)CCO1 ZINC000189222593 282127735 /nfs/dbraw/zinc/12/77/35/282127735.db2.gz FUMXRDKWPUKOFX-SNVBAGLBSA-N 0 3 302.312 1.166 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCO1 ZINC000116787415 282138331 /nfs/dbraw/zinc/13/83/31/282138331.db2.gz QBCQFWYEVOMQKG-JKSUJKDBSA-N 0 3 305.422 1.078 10 0 DDAEHN Cc1cccc2nc(CN(C)C[C@H]3CCC[C@@H]3O)cc(=O)n12 ZINC000305369863 231004970 /nfs/dbraw/zinc/00/49/70/231004970.db2.gz XBGSUDAUESECQB-HIFRSBDPSA-N 0 3 301.390 1.596 10 0 DDAEHN CN1CCC(N2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000082358422 185177787 /nfs/dbraw/zinc/17/77/87/185177787.db2.gz QQFZYHYMVSDALX-UHFFFAOYSA-N 0 3 308.470 1.741 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000249551312 282171314 /nfs/dbraw/zinc/17/13/14/282171314.db2.gz IBCYLRHOCUMZHF-UONOGXRCSA-N 0 3 311.470 1.870 10 0 DDAEHN N[C@@H](Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000083185042 185216862 /nfs/dbraw/zinc/21/68/62/185216862.db2.gz TWURTCYKNCJFOM-CBAPKCEASA-N 0 3 324.265 1.815 10 0 DDAEHN CC(C)[C@H](CN)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517849 185227480 /nfs/dbraw/zinc/22/74/80/185227480.db2.gz LVNGQNLWQCJVSE-JTQLQIEISA-N 0 3 318.826 1.913 10 0 DDAEHN CN[C@@H](c1ccc(C)cc1)[C@@H](C)S(=O)(=O)CCC(=O)OC ZINC000081975160 192348173 /nfs/dbraw/zinc/34/81/73/192348173.db2.gz XYWCFCBZTMBGPZ-IUODEOHRSA-N 0 3 313.419 1.622 10 0 DDAEHN NCCS(=O)(=O)Nc1ccc(Cl)cc1Br ZINC000088122451 185240146 /nfs/dbraw/zinc/24/01/46/185240146.db2.gz OCIJNCSIZREJQD-UHFFFAOYSA-N 0 3 313.604 1.803 10 0 DDAEHN CS(=O)(=O)c1ccc(S(=O)(=O)CCCNC2CC2)cc1 ZINC000081990761 192350401 /nfs/dbraw/zinc/35/04/01/192350401.db2.gz QOQZQYWKPSPBAD-UHFFFAOYSA-N 0 3 317.432 1.006 10 0 DDAEHN COc1ccc(OC(F)F)c(NC(=O)[C@H]2COC[C@@H]2N)c1 ZINC000090380371 185293463 /nfs/dbraw/zinc/29/34/63/185293463.db2.gz AYACOCIBZCRQOT-IUCAKERBSA-N 0 3 302.277 1.209 10 0 DDAEHN COc1cc(OC)c(NC(=O)[C@@H]2COC[C@H]2N)cc1Cl ZINC000090378670 185293610 /nfs/dbraw/zinc/29/36/10/185293610.db2.gz UJGICPBBRDYRLI-VXNVDRBHSA-N 0 3 300.742 1.269 10 0 DDAEHN N[C@@H]1COC[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000090380135 185293632 /nfs/dbraw/zinc/29/36/32/185293632.db2.gz FGWXAVOMMTUMPB-WDEREUQCSA-N 0 3 304.268 1.540 10 0 DDAEHN C[C@H](NC(=O)[C@H]1COC[C@@H]1N)c1cccc(C(F)(F)F)c1 ZINC000090380730 185293662 /nfs/dbraw/zinc/29/36/62/185293662.db2.gz QHNBLLNGIOUJOD-UWJYBYFXSA-N 0 3 302.296 1.856 10 0 DDAEHN CN[C@H]1COC[C@@H]1C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000090431505 185295852 /nfs/dbraw/zinc/29/58/52/185295852.db2.gz 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/nfs/dbraw/zinc/99/30/72/190993072.db2.gz CCBGATWHXPPQTM-UHFFFAOYSA-N 0 3 306.406 1.952 10 0 DDAEHN CC[C@@H](C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)N(C)C ZINC000164151437 186150610 /nfs/dbraw/zinc/15/06/10/186150610.db2.gz LSXNCURRUONSEN-IRXDYDNUSA-N 0 3 319.449 1.204 10 0 DDAEHN Cc1ccccc1OCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171903638 198005267 /nfs/dbraw/zinc/00/52/67/198005267.db2.gz OHARCUSZGQURCV-OAHLLOKOSA-N 0 3 303.406 1.863 10 0 DDAEHN O[C@@H]1COCC[C@@H]1NCc1ccc(Br)cc1F ZINC000623764737 366044597 /nfs/dbraw/zinc/04/45/97/366044597.db2.gz JIOLNJAIGPXDCU-NWDGAFQWSA-N 0 3 304.159 1.828 10 0 DDAEHN Cc1cc(CN[C@H]2CCOC[C@H]2O)ccc1Br ZINC000623764485 366044824 /nfs/dbraw/zinc/04/48/24/366044824.db2.gz FQWDQWSCRHWLMW-QWHCGFSZSA-N 0 3 300.196 1.997 10 0 DDAEHN CCC[C@@H](N)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000236784328 202006330 /nfs/dbraw/zinc/00/63/30/202006330.db2.gz UJCHQOCXVGZKBT-LLVKDONJSA-N 0 3 314.769 1.958 10 0 DDAEHN CCC[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000236818240 202025571 /nfs/dbraw/zinc/02/55/71/202025571.db2.gz VXSBROQMKLKDOK-HOCLYGCPSA-N 0 3 317.433 1.782 10 0 DDAEHN CCC[C@@H](N)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000236954523 202091624 /nfs/dbraw/zinc/09/16/24/202091624.db2.gz QZTNHJIULICCKD-ZIAGYGMSSA-N 0 3 309.410 1.205 10 0 DDAEHN CCC[C@@H](N)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 ZINC000236970020 202102025 /nfs/dbraw/zinc/10/20/25/202102025.db2.gz TXRFVKYXKDYKHN-MRXNPFEDSA-N 0 3 313.401 1.640 10 0 DDAEHN COCc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000180228497 199133375 /nfs/dbraw/zinc/13/33/75/199133375.db2.gz LFOGODUBHFGRKY-QAPCUYQASA-N 0 3 304.434 1.986 10 0 DDAEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc2c(c1)OCCO2 ZINC000180595368 199181635 /nfs/dbraw/zinc/18/16/35/199181635.db2.gz APESIOPSTZXTEJ-YPMHNXCESA-N 0 3 300.362 1.715 10 0 DDAEHN Cc1cc(C)c(S(=O)(=O)N2CCSC[C@H]2C)cc1CN ZINC000089039570 192713720 /nfs/dbraw/zinc/71/37/20/192713720.db2.gz JGKJUNKUPXATPW-GFCCVEGCSA-N 0 3 314.476 1.888 10 0 DDAEHN CCN(CC)C(=O)CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195282162 201373732 /nfs/dbraw/zinc/37/37/32/201373732.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 0 3 318.465 1.704 10 0 DDAEHN COCC[C@@H](N)C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507006 193065882 /nfs/dbraw/zinc/06/58/82/193065882.db2.gz ZQHDCMJXYFMOFY-SECBINFHSA-N 0 3 302.172 1.455 10 0 DDAEHN NCc1nc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cs1 ZINC000091685757 193092185 /nfs/dbraw/zinc/09/21/85/193092185.db2.gz SHRXTRVCKVJWCE-SCZZXKLOSA-N 0 3 307.379 1.188 10 0 DDAEHN C[C@@H]1CN(CC(C)(C)S(C)(=O)=O)[C@H](c2ccccc2)CN1 ZINC000093525859 193264037 /nfs/dbraw/zinc/26/40/37/193264037.db2.gz JGUVABJXLKDXMX-HIFRSBDPSA-N 0 3 310.463 1.845 10 0 DDAEHN C[C@@H]1[C@H](C)NCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000262738686 203396315 /nfs/dbraw/zinc/39/63/15/203396315.db2.gz DBQPCWQQLMPHMO-QWHCGFSZSA-N 0 3 315.417 1.713 10 0 DDAEHN CS(=O)(=O)N1CCC[C@@H](CNCc2ccccc2F)C1 ZINC000093696174 193291851 /nfs/dbraw/zinc/29/18/51/193291851.db2.gz SBABAVFVTWJADB-LBPRGKRZSA-N 0 3 300.399 1.587 10 0 DDAEHN Cc1cc(N)cc(C)c1S(=O)(=O)NCC1CCN(C)CC1 ZINC000093648652 193282914 /nfs/dbraw/zinc/28/29/14/193282914.db2.gz CMWGNVZWQQOYFO-UHFFFAOYSA-N 0 3 311.451 1.506 10 0 DDAEHN CN(C)[C@H](CNC(=O)[C@](C)(N)C(F)(F)F)c1ccccc1 ZINC000094236468 193353646 /nfs/dbraw/zinc/35/36/46/193353646.db2.gz JMTZFQSDJZXNLN-YPMHNXCESA-N 0 3 303.328 1.685 10 0 DDAEHN N[C@H]1CCC2(C[C@H]1S(=O)(=O)c1cccc(F)c1)OCCO2 ZINC000094624824 193385580 /nfs/dbraw/zinc/38/55/80/193385580.db2.gz HLRYSAVHUXUMIS-QWHCGFSZSA-N 0 3 315.366 1.222 10 0 DDAEHN COc1ccc(CN)c(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000094634489 193386434 /nfs/dbraw/zinc/38/64/34/193386434.db2.gz GNZHPGAHMMZIFM-UONOGXRCSA-N 0 3 313.419 1.889 10 0 DDAEHN CS(=O)(=O)[C@H]1CCC[C@H](N(CCN)Cc2ccccc2)C1 ZINC000094634655 193386601 /nfs/dbraw/zinc/38/66/01/193386601.db2.gz GOZPYVVREWNSQU-HOTGVXAUSA-N 0 3 310.463 1.803 10 0 DDAEHN C[C@@H]1SCCC[C@@]1(CN)N1CCSC[C@@H]1S(C)(=O)=O ZINC000094479461 193372562 /nfs/dbraw/zinc/37/25/62/193372562.db2.gz CRHDWGSZBUUMGF-SRVKXCTJSA-N 0 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407503939 /nfs/dbraw/zinc/50/39/39/407503939.db2.gz XYUFBNBOIOTQIR-GOSISDBHSA-N 0 3 322.449 1.864 10 0 DDAEHN COCCCOc1cccc(NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261611476 407551675 /nfs/dbraw/zinc/55/16/75/407551675.db2.gz BIDVUTVZTCQYTN-INIZCTEOSA-N 0 3 322.405 1.794 10 0 DDAEHN CC(=O)NC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000114562625 407591583 /nfs/dbraw/zinc/59/15/83/407591583.db2.gz VFVOTNBJFWPBKZ-ZWKOTPCHSA-N 0 3 320.433 1.412 10 0 DDAEHN NC1(C(=O)NCc2csc(Br)c2)CCOCC1 ZINC000261686946 407581998 /nfs/dbraw/zinc/58/19/98/407581998.db2.gz CWZKNPNIVGDFLR-UHFFFAOYSA-N 0 3 319.224 1.635 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000170843859 407528140 /nfs/dbraw/zinc/52/81/40/407528140.db2.gz ODNYTWJKCMJBHD-LBPRGKRZSA-N 0 3 311.332 1.725 10 0 DDAEHN COc1ccc2c(c1)C[C@@H](C(=O)N1CC[C@H](N(C)C)C1)CO2 ZINC000170866714 407538345 /nfs/dbraw/zinc/53/83/45/407538345.db2.gz BSJAIJUHLCOHFS-KGLIPLIRSA-N 0 3 304.390 1.409 10 0 DDAEHN CCCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000170868665 407539006 /nfs/dbraw/zinc/53/90/06/407539006.db2.gz RVYRHBOCTLTBPM-QWHCGFSZSA-N 0 3 313.467 1.241 10 0 DDAEHN CC(=O)N[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000114207478 407550481 /nfs/dbraw/zinc/55/04/81/407550481.db2.gz OVPMLFHMDTWYDE-HNNXBMFYSA-N 0 3 314.389 1.880 10 0 DDAEHN CCc1cccc2c(CCNC(=O)C3(N)CCOCC3)c[nH]c21 ZINC000261838239 407634032 /nfs/dbraw/zinc/63/40/32/407634032.db2.gz LKSGZKQAZKULCD-UHFFFAOYSA-N 0 3 315.417 1.897 10 0 DDAEHN O[C@H](COCc1ccccc1)CN1CCC[C@H](n2cncn2)C1 ZINC000171625508 407721965 /nfs/dbraw/zinc/72/19/65/407721965.db2.gz NVVAZVHAOOYREX-IRXDYDNUSA-N 0 3 316.405 1.493 10 0 DDAEHN Cc1cccc(OC[C@H](O)CN2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116407958 407753615 /nfs/dbraw/zinc/75/36/15/407753615.db2.gz ICWDEGFZFLJMEL-DOTOQJQBSA-N 0 3 315.417 1.958 10 0 DDAEHN CNC(=O)[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000179126995 407731383 /nfs/dbraw/zinc/73/13/83/407731383.db2.gz CKJLZKIYSAVUJM-MRXNPFEDSA-N 0 3 317.433 1.783 10 0 DDAEHN Cn1cc([C@@H]2CCN(CCc3nc4ccccc4c(=O)[nH]3)C2)cn1 ZINC000116320461 407743134 /nfs/dbraw/zinc/74/31/34/407743134.db2.gz QEPRQMOQNVDMRQ-CYBMUJFWSA-N 0 3 323.400 1.689 10 0 DDAEHN NCc1nc(CN2CCNC[C@@H]2c2ccccc2Cl)no1 ZINC000262122948 407745131 /nfs/dbraw/zinc/74/51/31/407745131.db2.gz CHEIZRCOHOPTOU-GFCCVEGCSA-N 0 3 307.785 1.328 10 0 DDAEHN CC(C)c1cccc(OCC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000116789954 407776692 /nfs/dbraw/zinc/77/66/92/407776692.db2.gz XNNSXCLPZRYHML-QGZVFWFLSA-N 0 3 320.433 1.978 10 0 DDAEHN CN(C)C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)CCO1 ZINC000116798140 407780339 /nfs/dbraw/zinc/78/03/39/407780339.db2.gz IBLVKGPHYSONLW-LLVKDONJSA-N 0 3 300.761 1.882 10 0 DDAEHN COC[C@@H](N)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000262287238 407785136 /nfs/dbraw/zinc/78/51/36/407785136.db2.gz MMSQYMZHTHJVHZ-CVEARBPZSA-N 0 3 305.422 1.222 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)Nc2c(C)nn(CCOC)c2C)C1 ZINC000179578238 407810737 /nfs/dbraw/zinc/81/07/37/407810737.db2.gz UUUILQLFVHAXLB-CQSZACIVSA-N 0 3 323.441 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VBIXFJCKASTUAV-UHFFFAOYSA-N 0 3 305.451 1.936 10 0 DDAEHN COC[C@H](C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188169311 407922163 /nfs/dbraw/zinc/92/21/63/407922163.db2.gz UTWGSMQVGGTCCC-MAUKXSAKSA-N 0 3 320.433 1.364 10 0 DDAEHN CCc1noc2ncc(-c3nc([C@H]4CNCCN4C)no3)cc12 ZINC000263158435 408041485 /nfs/dbraw/zinc/04/14/85/408041485.db2.gz DRBFGWNJNKYPNE-GFCCVEGCSA-N 0 3 314.349 1.411 10 0 DDAEHN CC(C)C(=O)N1CCCC[C@@H]1c1nc([C@@H]2CNCCN2C)no1 ZINC000263186054 408051431 /nfs/dbraw/zinc/05/14/31/408051431.db2.gz HIXGJOKNKRDJSG-OLZOCXBDSA-N 0 3 321.425 1.355 10 0 DDAEHN C[C@@H](CCO)N(Cc1ccccc1)C[C@@H](O)CN1CCCC1=O ZINC000245534090 408009257 /nfs/dbraw/zinc/00/92/57/408009257.db2.gz JHRWUQFUGLJEKB-RDJZCZTQSA-N 0 3 320.433 1.243 10 0 DDAEHN C[C@@H]1CN(Cc2cccc3c2OCO3)C[C@H]1N1CCOCC1 ZINC000245764093 408064679 /nfs/dbraw/zinc/06/46/79/408064679.db2.gz QIQZVTDBZDUYET-UKRRQHHQSA-N 0 3 304.390 1.568 10 0 DDAEHN Cc1ccc(OCCc2nc([C@H]3CNCCN3C)no2)c(C)c1 ZINC000263235258 408070486 /nfs/dbraw/zinc/07/04/86/408070486.db2.gz NWJIDDOOLIRQHA-CQSZACIVSA-N 0 3 316.405 1.884 10 0 DDAEHN CN1CCNC[C@@H]1c1noc(Cc2ccc3c(c2)CCO3)n1 ZINC000263244685 408072668 /nfs/dbraw/zinc/07/26/68/408072668.db2.gz PBZQVPRKOMLZGI-CYBMUJFWSA-N 0 3 300.362 1.171 10 0 DDAEHN CN1CCNC[C@H]1c1noc(-c2cc(-c3ccco3)on2)n1 ZINC000263293541 408093215 /nfs/dbraw/zinc/09/32/15/408093215.db2.gz VZPPWEYQLMTZDI-JTQLQIEISA-N 0 3 301.306 1.561 10 0 DDAEHN CCCn1nccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000154921576 408102639 /nfs/dbraw/zinc/10/26/39/408102639.db2.gz VULQPNFZMSRQGC-STQMWFEESA-N 0 3 321.425 1.077 10 0 DDAEHN CCc1nccn1[C@H]1CCCN([C@H](C)CN2CCOCC2)C1 ZINC000245962754 408108392 /nfs/dbraw/zinc/10/83/92/408108392.db2.gz DPDWPBQVLJJLKO-CVEARBPZSA-N 0 3 306.454 1.803 10 0 DDAEHN C[C@H]1Cc2ccccc2N1CCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246040380 408124566 /nfs/dbraw/zinc/12/45/66/408124566.db2.gz XRZNKCXNTQVVCH-GOEBONIOSA-N 0 3 316.449 1.783 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc3ccn(C)c32)CCO1 ZINC000190020012 408148319 /nfs/dbraw/zinc/14/83/19/408148319.db2.gz MKAGYLRNZVRALE-AWEZNQCLSA-N 0 3 316.405 1.973 10 0 DDAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000246423603 408253470 /nfs/dbraw/zinc/25/34/70/408253470.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 0 3 322.497 1.987 10 0 DDAEHN CN(C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000246718950 408321856 /nfs/dbraw/zinc/32/18/56/408321856.db2.gz LGWRZTKFJNFVQU-ILXRZTDVSA-N 0 3 316.401 1.724 10 0 DDAEHN COCOc1ccc(OC)cc1CN[C@H]1CCc2ncnn2C1 ZINC000122311665 408279441 /nfs/dbraw/zinc/27/94/41/408279441.db2.gz YEVQDZVDDNWXOK-ZDUSSCGKSA-N 0 3 318.377 1.374 10 0 DDAEHN Cc1csc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246595609 408301777 /nfs/dbraw/zinc/30/17/77/408301777.db2.gz ZETFFLNIKNCYCY-KOLCDFICSA-N 0 3 310.423 1.235 10 0 DDAEHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000183202360 408352931 /nfs/dbraw/zinc/35/29/31/408352931.db2.gz NLCGWCNEURHVAD-MJVIPROJSA-N 0 3 305.378 1.270 10 0 DDAEHN CCCC[C@H](COC)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000153778099 162140186 /nfs/dbraw/zinc/14/01/86/162140186.db2.gz QHPHTLUGBGHFSQ-ZIAGYGMSSA-N 0 3 301.431 1.164 10 0 DDAEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCO1 ZINC000183225957 408360934 /nfs/dbraw/zinc/36/09/34/408360934.db2.gz YPHUKZVCPJDHSW-BFVZDQMLSA-N 0 3 318.377 1.340 10 0 DDAEHN CC(C)N1CCO[C@H](CN2CCN([C@H]3C=CCCC3)CC2)C1 ZINC000171746255 162239916 /nfs/dbraw/zinc/23/99/16/162239916.db2.gz OVOCKYIMYVNKMM-ZWKOTPCHSA-N 0 3 307.482 1.822 10 0 DDAEHN CCSCC[C@H](C)NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000173623280 162351454 /nfs/dbraw/zinc/35/14/54/162351454.db2.gz HUBYCIVBXVJBLC-STQMWFEESA-N 0 3 303.472 1.490 10 0 DDAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1cccc(F)c1 ZINC000173940876 162380172 /nfs/dbraw/zinc/38/01/72/162380172.db2.gz IEXVOGDMLBQYMF-MRXNPFEDSA-N 0 3 321.396 1.561 10 0 DDAEHN C[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)N(C)C1CC1 ZINC000159110135 408383285 /nfs/dbraw/zinc/38/32/85/408383285.db2.gz UQUDIMHXKZBXGF-LBPRGKRZSA-N 0 3 305.426 1.781 10 0 DDAEHN C[C@@H](C1CC1)N(C(=O)CN1CCO[C@@H](CN(C)C)C1)C1CC1 ZINC000247315479 408449396 /nfs/dbraw/zinc/44/93/96/408449396.db2.gz KNUKANJHWKWPEE-BBRMVZONSA-N 0 3 309.454 1.038 10 0 DDAEHN COCc1cccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000247070017 408400088 /nfs/dbraw/zinc/40/00/88/408400088.db2.gz HMRAXVGWYCJMMR-HIFRSBDPSA-N 0 3 324.446 1.690 10 0 DDAEHN CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H](O)COC(C)(C)C)CC2 ZINC000247104931 408410292 /nfs/dbraw/zinc/41/02/92/408410292.db2.gz VIRDYPHZYNHSEC-QLFBSQMISA-N 0 3 315.454 1.414 10 0 DDAEHN CN(C)C[C@@H]1CN(C[C@@H](O)c2c(F)cccc2F)CCO1 ZINC000247161889 408418034 /nfs/dbraw/zinc/41/80/34/408418034.db2.gz MKDJGZFMGVHSSK-BXUZGUMPSA-N 0 3 300.349 1.261 10 0 DDAEHN O=C(CN1CCN2CCC[C@H]2C1)N1CCSc2ccccc21 ZINC000247164797 408420975 /nfs/dbraw/zinc/42/09/75/408420975.db2.gz MMMPJDQWKLKWGF-AWEZNQCLSA-N 0 3 317.458 1.905 10 0 DDAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000191791544 408494033 /nfs/dbraw/zinc/49/40/33/408494033.db2.gz HLFFDIFNGMAPPE-XPKDYRNWSA-N 0 3 314.389 1.270 10 0 DDAEHN CCC[C@@H](C(=O)NCc1ccc(-n2cncn2)cc1)N(C)C ZINC000161608182 408619888 /nfs/dbraw/zinc/61/98/88/408619888.db2.gz BJHNGVWPKQITAD-HNNXBMFYSA-N 0 3 301.394 1.614 10 0 DDAEHN C[C@@H]1CN(CCNC(=O)OC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177520433 408644936 /nfs/dbraw/zinc/64/49/36/408644936.db2.gz PMHHXOBNRGXECB-KGLIPLIRSA-N 0 3 313.442 1.164 10 0 DDAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccnc1 ZINC000249252895 408707806 /nfs/dbraw/zinc/70/78/06/408707806.db2.gz YBZJATHMLUZWPY-KBPBESRZSA-N 0 3 302.378 1.105 10 0 DDAEHN CN(CCN1CCOC[C@]12CCOC2)Cc1ccc(F)cc1 ZINC000249473168 408731050 /nfs/dbraw/zinc/73/10/50/408731050.db2.gz HIKDIMVDFGKHAS-QGZVFWFLSA-N 0 3 308.397 1.749 10 0 DDAEHN CCN1CCC[C@H](NC(=O)[C@@H](C)NC(=O)Nc2ccccc2)C1 ZINC000193684438 408737679 /nfs/dbraw/zinc/73/76/79/408737679.db2.gz RFPQZMKIMFBZAD-HIFRSBDPSA-N 0 3 318.421 1.797 10 0 DDAEHN Cc1ccc(C)c(NC(=O)C(=O)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000177679324 408682454 /nfs/dbraw/zinc/68/24/54/408682454.db2.gz POZWHQHODATRJY-AWEZNQCLSA-N 0 3 319.405 1.031 10 0 DDAEHN O=C(Nc1ccccc1Cl)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177697221 408688096 /nfs/dbraw/zinc/68/80/96/408688096.db2.gz QRLXMMZGSGAPJY-NSHDSACASA-N 0 3 307.781 1.585 10 0 DDAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1nc(C)cs1 ZINC000249157569 408702956 /nfs/dbraw/zinc/70/29/56/408702956.db2.gz IRBTYYASTWIDMX-RYUDHWBXSA-N 0 3 322.434 1.475 10 0 DDAEHN CCN1CCC[C@H](NC(=O)c2ccccc2SCC(N)=O)C1 ZINC000194651266 408790399 /nfs/dbraw/zinc/79/03/99/408790399.db2.gz XBGNXGQQNMEQLY-LBPRGKRZSA-N 0 3 321.446 1.478 10 0 DDAEHN COCCCNC(=O)[C@H](C)N1CCC[C@H]1Cn1ccnc1C ZINC000178284470 408798864 /nfs/dbraw/zinc/79/88/64/408798864.db2.gz MXNGMTCECKKHCY-ZFWWWQNUSA-N 0 3 308.426 1.197 10 0 DDAEHN Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000178340226 408809052 /nfs/dbraw/zinc/80/90/52/408809052.db2.gz LCYSDVDYLCHZQY-LLVKDONJSA-N 0 3 322.796 1.289 10 0 DDAEHN COc1ncccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000193802603 408746000 /nfs/dbraw/zinc/74/60/00/408746000.db2.gz HGAOEYQVXLTGOZ-GFCCVEGCSA-N 0 3 322.409 1.121 10 0 DDAEHN OC[C@H]1C[C@H](O)CN1CCCOc1cccc(C(F)(F)F)c1 ZINC000185157931 408771569 /nfs/dbraw/zinc/77/15/69/408771569.db2.gz JTMKEOCBKLPLJT-OLZOCXBDSA-N 0 3 319.323 1.902 10 0 DDAEHN Cc1nc(C)n(C[C@@H]2CCCN(CCOCC(F)F)C2)n1 ZINC000189204975 163089172 /nfs/dbraw/zinc/08/91/72/163089172.db2.gz SSPWUKHPYPMGQN-CYBMUJFWSA-N 0 3 302.369 1.889 10 0 DDAEHN CC(C)C(=O)N1CCC(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000195328040 163316813 /nfs/dbraw/zinc/31/68/13/163316813.db2.gz DAAZJBAFHZPYSI-OAHLLOKOSA-N 0 3 307.438 1.188 10 0 DDAEHN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000195335456 163318867 /nfs/dbraw/zinc/31/88/67/163318867.db2.gz BQZNTCUUSLWFQN-CQSZACIVSA-N 0 3 313.405 1.575 10 0 DDAEHN CCCC(=O)N1CCC[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000195336241 163318961 /nfs/dbraw/zinc/31/89/61/163318961.db2.gz FTLYLGNSNCJIHD-LSDHHAIUSA-N 0 3 307.438 1.332 10 0 DDAEHN CCC(CC)NC(=O)C(C)S(=O)(=O)Cc1nccn1CC ZINC000195519723 163328455 /nfs/dbraw/zinc/32/84/55/163328455.db2.gz ICKGRTUGJGPFDK-NSHDSACASA-N 0 3 315.439 1.511 10 0 DDAEHN COc1cc(C)c(-c2nc([C@H]3CNCCN3C)no2)cc1OC ZINC000263249432 163938257 /nfs/dbraw/zinc/93/82/57/163938257.db2.gz PSKVHMJQCHLMTJ-GFCCVEGCSA-N 0 3 318.377 1.638 10 0 DDAEHN CC(C)CN1CC[C@@H](CNC2=NS(=O)(=O)c3ccccc32)C1 ZINC000301587015 410751562 /nfs/dbraw/zinc/75/15/62/410751562.db2.gz BMWKLCRBURJFRB-ZDUSSCGKSA-N 0 3 321.446 1.703 10 0 DDAEHN CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccsc1 ZINC000129220088 196030343 /nfs/dbraw/zinc/03/03/43/196030343.db2.gz BXXCACAGRREURG-CYBMUJFWSA-N 0 3 309.435 1.923 10 0 DDAEHN CCN1CCC[C@H](NC(=O)c2cnn(-c3ccccn3)c2C)C1 ZINC000194661292 418546856 /nfs/dbraw/zinc/54/68/56/418546856.db2.gz SGGGRQLEDYCHMY-AWEZNQCLSA-N 0 3 313.405 1.790 10 0 DDAEHN CN(Cc1nccc(N)n1)[C@@H]1CCCN(Cc2ccco2)CC1 ZINC000328629498 418606739 /nfs/dbraw/zinc/60/67/39/418606739.db2.gz IHXFBTJODQDSRC-CQSZACIVSA-N 0 3 315.421 2.138 10 0 DDAEHN O=C(NC1CC1)[C@H](O)C1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000299751260 229394968 /nfs/dbraw/zinc/39/49/68/229394968.db2.gz QCEYIVBNIFAPTO-IAGOWNOFSA-N 0 3 318.417 1.072 10 0 DDAEHN CO[C@@H]1CN[C@H](C(=O)Nc2cc(C3CCCCC3)nn2C)C1 ZINC000583617764 422203342 /nfs/dbraw/zinc/20/33/42/422203342.db2.gz PIAIYFJGPSYJNW-JSGCOSHPSA-N 0 3 306.410 1.783 10 0 DDAEHN Cc1c(CN)c(NC(=O)[C@H](C)OCc2ccccc2)nn1C ZINC000662840782 424786316 /nfs/dbraw/zinc/78/63/16/424786316.db2.gz FPFFPIPJWMTXNV-LBPRGKRZSA-N 0 3 302.378 1.731 10 0 DDAEHN c1nn2ccccc2c1CN[C@H]1CCCN(c2cccnn2)C1 ZINC000171627115 275077920 /nfs/dbraw/zinc/07/79/20/275077920.db2.gz RQWOBDLXBPTUNH-HNNXBMFYSA-N 0 3 308.389 1.883 10 0 DDAEHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000247181811 277186749 /nfs/dbraw/zinc/18/67/49/277186749.db2.gz NPAGPTZDWOORFE-KBPBESRZSA-N 0 3 323.437 1.693 10 0 DDAEHN COCCN1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247274516 277224547 /nfs/dbraw/zinc/22/45/47/277224547.db2.gz ZTTKHTZUZSEDLS-FZKCQIBNSA-N 0 3 311.470 1.427 10 0 DDAEHN Cc1cnn(CCN[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 ZINC000105881060 279033510 /nfs/dbraw/zinc/03/35/10/279033510.db2.gz OZFGGJQMLLCLON-CQSZACIVSA-N 0 3 318.396 1.668 10 0 DDAEHN CC(C)NC(=O)CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129948951 281362879 /nfs/dbraw/zinc/36/28/79/281362879.db2.gz ASEKIZJYWQNPRK-ZDUSSCGKSA-N 0 3 313.442 1.748 10 0 DDAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000162979790 289313034 /nfs/dbraw/zinc/31/30/34/289313034.db2.gz DLGGOLSZKUGKPG-BARDWOONSA-N 0 3 307.438 1.680 10 0 DDAEHN C[C@@H]1CN[C@@H](C)CN1c1ncc(I)cn1 ZINC000164372803 298211501 /nfs/dbraw/zinc/21/15/01/298211501.db2.gz QZYIHKLCQJYCMD-JGVFFNPUSA-N 0 3 318.162 1.268 10 0 DDAEHN CN(C)CCc1cn(C=O)c2ccc(C[C@H]3COC(=O)N3)cc12 ZINC000504093742 340140744 /nfs/dbraw/zinc/14/07/44/340140744.db2.gz 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407781305 /nfs/dbraw/zinc/78/13/05/407781305.db2.gz MEWHGXXYSGVXCE-GFCCVEGCSA-N 0 3 311.451 1.744 10 0 DDAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)CN1CCOCC1 ZINC000180478859 407893056 /nfs/dbraw/zinc/89/30/56/407893056.db2.gz IHHJOGLPOOJUMK-XJKSGUPXSA-N 0 3 306.454 1.895 10 0 DDAEHN CC[C@@H]1CN(C(=O)[C@@H](N)c2ccc(C)cc2)CCN1CCOC ZINC000262661299 407893842 /nfs/dbraw/zinc/89/38/42/407893842.db2.gz NSVHMZAGCBUFQT-SJORKVTESA-N 0 3 319.449 1.564 10 0 DDAEHN COC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(C)cc2)C1 ZINC000245405418 407963983 /nfs/dbraw/zinc/96/39/83/407963983.db2.gz SUCNDYCWPIPOPX-CABCVRRESA-N 0 3 307.390 1.620 10 0 DDAEHN COC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(C)cc2)C1 ZINC000245405419 407964710 /nfs/dbraw/zinc/96/47/10/407964710.db2.gz SUCNDYCWPIPOPX-HUUCEWRRSA-N 0 3 307.390 1.620 10 0 DDAEHN Cc1ccc(NC(=O)c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263167122 408045303 /nfs/dbraw/zinc/04/53/03/408045303.db2.gz FHCRLIHYWDASQB-LBPRGKRZSA-N 0 3 301.350 1.206 10 0 DDAEHN Cc1[nH]nc2nc(C)cc(-c3nc([C@H]4CNCCN4C)no3)c12 ZINC000263177634 408047645 /nfs/dbraw/zinc/04/76/45/408047645.db2.gz GHWKSUBTSRZLIQ-LLVKDONJSA-N 0 3 313.365 1.201 10 0 DDAEHN CC[C@@H]1CN(Cc2ccc(OC)cc2OC)CCN1C[C@H](C)O ZINC000245730590 408052033 /nfs/dbraw/zinc/05/20/33/408052033.db2.gz JQOMWBRHNBEAMP-GOEBONIOSA-N 0 3 322.449 1.981 10 0 DDAEHN CN(C)C[C@H](NC(=O)NOC[C@H]1CCOC1)c1ccccc1 ZINC000189604041 408063904 /nfs/dbraw/zinc/06/39/04/408063904.db2.gz MVFYWCGYDXJGMX-ZFWWWQNUSA-N 0 3 307.394 1.557 10 0 DDAEHN CCO[C@H](C)c1ncc(-c2nc([C@H]3CNCCN3C)no2)s1 ZINC000263253681 408075138 /nfs/dbraw/zinc/07/51/38/408075138.db2.gz QGGCVBVXUZMHGH-NXEZZACHSA-N 0 3 323.422 1.867 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cccc(-n2ccnn2)c1 ZINC000154743788 408079949 /nfs/dbraw/zinc/07/99/49/408079949.db2.gz WAOULRCEVMNZSS-MRXNPFEDSA-N 0 3 313.405 1.824 10 0 DDAEHN Cc1ccc(C)c(OCc2nc([C@@H]3CNCCN3C)no2)c1 ZINC000263269719 408084893 /nfs/dbraw/zinc/08/48/93/408084893.db2.gz SBGUIGQTGGTJGC-ZDUSSCGKSA-N 0 3 302.378 1.842 10 0 DDAEHN C[C@@H](Oc1cccc(F)c1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263270665 408085316 /nfs/dbraw/zinc/08/53/16/408085316.db2.gz SDGQKOGXKBQMBN-MFKMUULPSA-N 0 3 306.341 1.925 10 0 DDAEHN CC(C)N1CC[C@H](N2CC[C@H](CNc3ccccn3)C2)C1=O ZINC000175252080 408088410 /nfs/dbraw/zinc/08/84/10/408088410.db2.gz INHROZLJQQOBFF-CABCVRRESA-N 0 3 302.422 1.825 10 0 DDAEHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCO[C@@H](CN(C)C)C1 ZINC000245938100 408104926 /nfs/dbraw/zinc/10/49/26/408104926.db2.gz SUWQACBDFSAFIJ-PMPSAXMXSA-N 0 3 311.470 1.286 10 0 DDAEHN C[C@H]1CN(CCC(=O)c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000182420991 408154069 /nfs/dbraw/zinc/15/40/69/408154069.db2.gz BZZZRZLCXZVKIO-RDJZCZTQSA-N 0 3 302.418 1.912 10 0 DDAEHN CCO[C@@H]1C[C@@H](NC(=O)N2CCN3CCC[C@@H]3C2)C12CCC2 ZINC000175652790 408177977 /nfs/dbraw/zinc/17/79/77/408177977.db2.gz KPPJRVSPCKHMGK-RBSFLKMASA-N 0 3 307.438 1.824 10 0 DDAEHN CCNC(=O)c1cccc(NC(=O)CN[C@@H](C)[C@H]2CCCO2)c1 ZINC000183095225 408324152 /nfs/dbraw/zinc/32/41/52/408324152.db2.gz DIHJAOFDDUDQMV-SWLSCSKDSA-N 0 3 319.405 1.532 10 0 DDAEHN CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)COC(C)(C)C)CC2 ZINC000158112471 408328362 /nfs/dbraw/zinc/32/83/62/408328362.db2.gz VIRDYPHZYNHSEC-RRFJBIMHSA-N 0 3 315.454 1.414 10 0 DDAEHN CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000246519111 408280358 /nfs/dbraw/zinc/28/03/58/408280358.db2.gz RCCGNLPKSQTVMA-RHSMWYFYSA-N 0 3 317.433 1.199 10 0 DDAEHN NCc1cn(CCOc2cc(F)cc(Br)c2)nn1 ZINC000157405265 408300638 /nfs/dbraw/zinc/30/06/38/408300638.db2.gz QHDGFEUHBCKFFT-UHFFFAOYSA-N 0 3 315.146 1.717 10 0 DDAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC2CC2)C1 ZINC000190689411 408302775 /nfs/dbraw/zinc/30/27/75/408302775.db2.gz MATIZSBQLJINSO-INIZCTEOSA-N 0 3 302.422 1.955 10 0 DDAEHN CCN(CCNC(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000158543573 408344935 /nfs/dbraw/zinc/34/49/35/408344935.db2.gz CVCRYZUDZSBHGF-UHFFFAOYSA-N 0 3 305.426 1.783 10 0 DDAEHN C[C@@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246893932 408361818 /nfs/dbraw/zinc/36/18/18/408361818.db2.gz HIHHJGYIIHWMDK-NRKLIOEPSA-N 0 3 323.481 1.427 10 0 DDAEHN CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)C(C)C ZINC000171439830 162217743 /nfs/dbraw/zinc/21/77/43/162217743.db2.gz CQVCMOVPHIPENU-DOTOQJQBSA-N 0 3 323.481 1.870 10 0 DDAEHN CNC(=O)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171887319 162246222 /nfs/dbraw/zinc/24/62/22/162246222.db2.gz GJOPXVJCBBRFGV-CQSZACIVSA-N 0 3 302.378 1.358 10 0 DDAEHN CC[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1nccn1C ZINC000183281346 408371140 /nfs/dbraw/zinc/37/11/40/408371140.db2.gz CDQOYBROWMBSPB-ZIAGYGMSSA-N 0 3 300.410 1.920 10 0 DDAEHN CN(C)C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCO1 ZINC000172308277 162268972 /nfs/dbraw/zinc/26/89/72/162268972.db2.gz YWXSEAZVFUPJFA-GFCCVEGCSA-N 0 3 300.362 1.032 10 0 DDAEHN CCC[C@H](C(=O)NCc1ccc(N2CCOC2=O)cc1)N(C)C ZINC000183266389 408365537 /nfs/dbraw/zinc/36/55/37/408365537.db2.gz NDTMMAHOHALHNQ-OAHLLOKOSA-N 0 3 319.405 1.990 10 0 DDAEHN Cc1ccc(N2CCCN(CCCN3CCOCC3)CC2)nn1 ZINC000172840612 162308020 /nfs/dbraw/zinc/30/80/20/162308020.db2.gz RSPMAFFSUSTISM-UHFFFAOYSA-N 0 3 319.453 1.019 10 0 DDAEHN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247004435 408385568 /nfs/dbraw/zinc/38/55/68/408385568.db2.gz FPHMPODOLAYYLC-UGUYLWEFSA-N 0 3 310.438 1.656 10 0 DDAEHN O=C(CCN1CC[C@@H](N2CCOCC2)C1)Nc1ccccc1 ZINC000173942419 162380297 /nfs/dbraw/zinc/38/02/97/162380297.db2.gz NROJBOWEASTBET-MRXNPFEDSA-N 0 3 303.406 1.422 10 0 DDAEHN COc1ccc(OCCN2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173955819 162382991 /nfs/dbraw/zinc/38/29/91/162382991.db2.gz FAPDHVDMCQUHNI-OAHLLOKOSA-N 0 3 306.406 1.481 10 0 DDAEHN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000247004397 408383731 /nfs/dbraw/zinc/38/37/31/408383731.db2.gz FPHMPODOLAYYLC-JONQDZQNSA-N 0 3 310.438 1.656 10 0 DDAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)COCCOc1ccccc1 ZINC000247054664 408396271 /nfs/dbraw/zinc/39/62/71/408396271.db2.gz HBXBFSUYUZDNLL-HOTGVXAUSA-N 0 3 318.417 1.777 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000247089234 408406325 /nfs/dbraw/zinc/40/63/25/408406325.db2.gz ICDAKDZLXLTWKS-FHIRATQRSA-N 0 3 316.401 1.910 10 0 DDAEHN CC[C@H]1CN(C[C@@H](O)COCC(C)C)CCN1CCOC ZINC000247090416 408407370 /nfs/dbraw/zinc/40/73/70/408407370.db2.gz HNBWGMRVJVEUCU-JKSUJKDBSA-N 0 3 302.459 1.063 10 0 DDAEHN Cc1ccc(CNC(=O)[C@@H](C)N2CCN3CCC[C@H]3C2)cc1 ZINC000247177862 408421776 /nfs/dbraw/zinc/42/17/76/408421776.db2.gz NHPFKKJIMNJBNT-WBVHZDCISA-N 0 3 301.434 1.780 10 0 DDAEHN CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)Cc2cccc(F)c2)C1 ZINC000247180450 408424463 /nfs/dbraw/zinc/42/44/63/408424463.db2.gz RYOFZPOJTHHLDF-SWLSCSKDSA-N 0 3 314.426 1.974 10 0 DDAEHN CCC(CC)N1C[C@H](C(=O)N(C)C[C@@H]2CCCN2CC)CC1=O ZINC000176998437 408492473 /nfs/dbraw/zinc/49/24/73/408492473.db2.gz NTWPUCSFWJAZHH-ZBFHGGJFSA-N 0 3 323.481 1.966 10 0 DDAEHN Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](CN(C)C)C2)c(C)c1 ZINC000247403889 408466008 /nfs/dbraw/zinc/46/60/08/408466008.db2.gz YSXJLLUIUJSFCG-IRXDYDNUSA-N 0 3 322.449 1.306 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1C ZINC000176886895 408467018 /nfs/dbraw/zinc/46/70/18/408467018.db2.gz KKRHWDLGTFMVBO-AWEZNQCLSA-N 0 3 303.406 1.876 10 0 DDAEHN C[C@H](CCC(=O)N1CC[C@@H](N(C)C)C1)NC(=O)OC(C)(C)C ZINC000192389726 408583639 /nfs/dbraw/zinc/58/36/39/408583639.db2.gz ZZCNKAQSHFZTNA-CHWSQXEVSA-N 0 3 313.442 1.842 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000248558795 408588108 /nfs/dbraw/zinc/58/81/08/408588108.db2.gz DPERADVVDIWOOW-DOMZBBRYSA-N 0 3 311.389 1.780 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)Cc2ccc(OCCOC)cc2)C1 ZINC000192067267 408538137 /nfs/dbraw/zinc/53/81/37/408538137.db2.gz QWIGCDPQHJZMAQ-MRXNPFEDSA-N 0 3 320.433 1.855 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC(F)F)n(C)n1 ZINC000248623077 408601136 /nfs/dbraw/zinc/60/11/36/408601136.db2.gz 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/nfs/dbraw/zinc/77/92/42/408779242.db2.gz FCZGQOXBEFKFSW-GFCCVEGCSA-N 0 3 318.377 1.623 10 0 DDAEHN C[C@H]1C(=O)NCCCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000191146060 163175708 /nfs/dbraw/zinc/17/57/08/163175708.db2.gz VEIOIKPXFSAWBV-ZDUSSCGKSA-N 0 3 310.442 1.171 10 0 DDAEHN O=C(CC1CCC2(CC1)OCCO2)N1CCN2CCC[C@H]2C1 ZINC000191238265 163178624 /nfs/dbraw/zinc/17/86/24/163178624.db2.gz XMIYXIKBHXBEFN-HNNXBMFYSA-N 0 3 308.422 1.616 10 0 DDAEHN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN2CCC[C@H]2C1 ZINC000247254182 163556437 /nfs/dbraw/zinc/55/64/37/163556437.db2.gz UGDLBVOEXRBLLU-PBHICJAKSA-N 0 3 319.424 1.953 10 0 DDAEHN C[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000062229049 287008978 /nfs/dbraw/zinc/00/89/78/287008978.db2.gz NPOAVCYEURSXSC-HIFRSBDPSA-N 0 3 318.421 1.214 10 0 DDAEHN OC[C@H]1C[C@@H](O)CN1CCOc1ccc(Br)cc1 ZINC000360506281 164149346 /nfs/dbraw/zinc/14/93/46/164149346.db2.gz YXIIBMSOGDAEQK-VXGBXAGGSA-N 0 3 316.195 1.255 10 0 DDAEHN CCc1cc(=O)n2nc(N3CC[C@@H](N(C)CC)C3)sc2n1 ZINC000302782431 410862508 /nfs/dbraw/zinc/86/25/08/410862508.db2.gz SPFOBZZDPFGPIG-LLVKDONJSA-N 0 3 307.423 1.244 10 0 DDAEHN CN(C)C[C@@H](NC(=O)Cc1nc2ncccn2n1)c1ccccc1 ZINC000049612118 418477838 /nfs/dbraw/zinc/47/78/38/418477838.db2.gz VWVHHVFOMSCBGV-CQSZACIVSA-N 0 3 324.388 1.086 10 0 DDAEHN CCN1CCC[C@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000194660073 418546399 /nfs/dbraw/zinc/54/63/99/418546399.db2.gz ILDPOWGAPSHNKA-HNNXBMFYSA-N 0 3 313.401 1.671 10 0 DDAEHN COC[C@H](N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404330905 418770443 /nfs/dbraw/zinc/77/04/43/418770443.db2.gz YXNUSMRHYMOJIT-JKQORVJESA-N 0 3 319.449 1.470 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638078696 422639305 /nfs/dbraw/zinc/63/93/05/422639305.db2.gz GBYVXCITIXQEFR-IAGOWNOFSA-N 0 3 318.465 1.046 10 0 DDAEHN COC(=O)C1CCC(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC1 ZINC000179510460 263359764 /nfs/dbraw/zinc/35/97/64/263359764.db2.gz NRXUZBUJEITFAL-URGYJCLVSA-N 0 3 310.438 1.764 10 0 DDAEHN C[C@H](CS(C)(=O)=O)NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000183201413 263377942 /nfs/dbraw/zinc/37/79/42/263377942.db2.gz XRKAQHMOKHSNFW-GHMZBOCLSA-N 0 3 308.444 1.312 10 0 DDAEHN Cc1noc(C2CC2)c1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000185871192 263395285 /nfs/dbraw/zinc/39/52/85/263395285.db2.gz XFEWASAICGLRRN-ZDUSSCGKSA-N 0 3 322.409 1.829 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(N2CCCC2)nn1 ZINC000177013998 276377233 /nfs/dbraw/zinc/37/72/33/276377233.db2.gz KNCOGHYQBFUOCP-AWEZNQCLSA-N 0 3 317.437 1.633 10 0 DDAEHN CC(C)n1c(-c2ncccn2)nnc1N1CCN2CCC[C@H]2C1 ZINC000333366344 278121359 /nfs/dbraw/zinc/12/13/59/278121359.db2.gz LUGCRBWHTARXFR-ZDUSSCGKSA-N 0 3 313.409 1.600 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)N(C)CCCn2ccnc2C)C1 ZINC000122086290 281150360 /nfs/dbraw/zinc/15/03/60/281150360.db2.gz OFWLIFIJSNCNNC-OAHLLOKOSA-N 0 3 307.442 1.707 10 0 DDAEHN CCN1CCC[C@H](NC(=O)N(C)CCCn2ccnc2C)C1 ZINC000122086070 281150551 /nfs/dbraw/zinc/15/05/51/281150551.db2.gz OFWLIFIJSNCNNC-HNNXBMFYSA-N 0 3 307.442 1.707 10 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/nfs/dbraw/zinc/70/86/19/408708619.db2.gz IXUPOYLCVGVSIC-INIZCTEOSA-N 0 3 319.453 1.018 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000193420798 408718100 /nfs/dbraw/zinc/71/81/00/408718100.db2.gz PVGVLPIRCYHWIS-AWEZNQCLSA-N 0 3 318.421 1.580 10 0 DDAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193536214 408725734 /nfs/dbraw/zinc/72/57/34/408725734.db2.gz DAJMYSJRGGTUSG-PWSUYJOCSA-N 0 3 324.812 1.518 10 0 DDAEHN COCc1cccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000177681035 408682925 /nfs/dbraw/zinc/68/29/25/408682925.db2.gz IKGNHBMCRYKIHA-OAHLLOKOSA-N 0 3 317.389 1.078 10 0 DDAEHN CC(C)N1CCC[C@@H](N2CCC(Cn3cccn3)CC2)C1=O ZINC000177712356 408692973 /nfs/dbraw/zinc/69/29/73/408692973.db2.gz MBOMZAKHMIGECT-MRXNPFEDSA-N 0 3 304.438 1.995 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccccc2)C1 ZINC000249611596 408750505 /nfs/dbraw/zinc/75/05/05/408750505.db2.gz LSKPNONSLRVWHT-IAGOWNOFSA-N 0 3 317.433 1.854 10 0 DDAEHN CC(C)[C@@H](C(=O)N1CCN2CCC[C@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000249825484 408766811 /nfs/dbraw/zinc/76/68/11/408766811.db2.gz KBHXKSICQHTYST-NCOADZHNSA-N 0 3 323.481 1.427 10 0 DDAEHN Cc1nnc(-c2ccccc2C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000178113293 408775506 /nfs/dbraw/zinc/77/55/06/408775506.db2.gz YLZUXZJGHRLZLU-CYBMUJFWSA-N 0 3 312.373 1.965 10 0 DDAEHN OC[C@@H]1CN(C[C@@H](O)COCc2ccccc2)CCC1(F)F ZINC000291737221 408915312 /nfs/dbraw/zinc/91/53/12/408915312.db2.gz JUVXOOLHXKPCOV-LSDHHAIUSA-N 0 3 315.360 1.514 10 0 DDAEHN Cc1ccc(N2CCCN(CCO[C@@H]3CCCCO3)CC2)nn1 ZINC000193050141 163244736 /nfs/dbraw/zinc/24/47/36/163244736.db2.gz ZDPQNYUCTBTWJH-QGZVFWFLSA-N 0 3 320.437 1.840 10 0 DDAEHN COC(=O)Nc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000195328805 163316767 /nfs/dbraw/zinc/31/67/67/163316767.db2.gz UQWXJUIBEAQIRP-CQSZACIVSA-N 0 3 303.362 1.785 10 0 DDAEHN Cc1cccc(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1F ZINC000313220740 164010098 /nfs/dbraw/zinc/01/00/98/164010098.db2.gz RVQGKBSUUQOXBE-LBPRGKRZSA-N 0 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696743688 /nfs/dbraw/zinc/74/36/88/696743688.db2.gz JZOUECZISFLKNP-XCBNKYQSSA-N 0 3 324.233 1.794 10 0 DDAEHN CC(C)(C)OC(=O)NCC(C)(C)NCc1cnc2n1CCOC2 ZINC000722823405 699320019 /nfs/dbraw/zinc/32/00/19/699320019.db2.gz CQKKJZOEVXTBLU-UHFFFAOYSA-N 0 3 324.425 1.806 10 0 DDAEHN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1cn(C)nn1 ZINC000902824225 710917944 /nfs/dbraw/zinc/91/79/44/710917944.db2.gz IANSPYJOAAQEOB-OUCADQQQSA-N 0 3 305.426 1.503 10 0 DDAEHN COC(=O)[C@@H](C)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000248656457 282097028 /nfs/dbraw/zinc/09/70/28/282097028.db2.gz RJWRLWMRWSPISB-OLZOCXBDSA-N 0 3 311.451 1.767 10 0 DDAEHN CN[C@H](CCO)C[S@@](=O)c1ccccc1Br ZINC000082990316 185210481 /nfs/dbraw/zinc/21/04/81/185210481.db2.gz BNNQEEMPUFZLSW-ABKXIKBNSA-N 0 3 306.225 1.527 10 0 DDAEHN NC(=O)[C@@H]1CCCN(C(=O)CN[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328684793 231306566 /nfs/dbraw/zinc/30/65/66/231306566.db2.gz FGLRATQUNJKWGZ-VXGBXAGGSA-N 0 3 322.409 1.391 10 0 DDAEHN CC(C)c1nn(CCN(C)C)c(N)c1I 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CCC[NH2+]Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)COC)o1 ZINC000088543098 185256274 /nfs/dbraw/zinc/25/62/74/185256274.db2.gz FWEXTMJRGNJUMK-LLVKDONJSA-N 0 3 304.412 1.340 10 0 DDAEHN C[C@@H](c1ccccc1Br)N1CCNC[C@@H]1C(N)=O ZINC000088659227 185261681 /nfs/dbraw/zinc/26/16/81/185261681.db2.gz SMGBSEGDQRZTES-JOYOIKCWSA-N 0 3 312.211 1.269 10 0 DDAEHN C[C@@H](c1cc(F)c(Cl)cc1Cl)N1CCNC[C@@H]1C(N)=O ZINC000088659052 185261869 /nfs/dbraw/zinc/26/18/69/185261869.db2.gz MEHKXMUJQNFILP-JVXZTZIISA-N 0 3 320.195 1.953 10 0 DDAEHN CCc1ccc([C@H](C[S@@](=O)CCS(C)(=O)=O)NC)cc1 ZINC000081993121 192352498 /nfs/dbraw/zinc/35/24/98/192352498.db2.gz XKGJYRSNYQSTKI-IFXJQAMLSA-N 0 3 317.476 1.303 10 0 DDAEHN CC(C)c1ccc([C@H](N)C[S@@](=O)CCS(C)(=O)=O)cc1 ZINC000081991964 192351992 /nfs/dbraw/zinc/35/19/92/192351992.db2.gz DYFHRHGDYAQRDP-AUUYWEPGSA-N 0 3 317.476 1.603 10 0 DDAEHN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1COC[C@H]1N ZINC000090381752 185293774 /nfs/dbraw/zinc/29/37/74/185293774.db2.gz OBBLXUIXMDHOIV-BXKDBHETSA-N 0 3 303.189 1.926 10 0 DDAEHN CN[C@H](C[S@](=O)CCCOC)c1ccc2c(c1)OCCO2 ZINC000081999402 192353699 /nfs/dbraw/zinc/35/36/99/192353699.db2.gz PZHKPQWRXQLTBW-ASSNKEHSSA-N 0 3 313.419 1.504 10 0 DDAEHN Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@H]1CCCCN1 ZINC000092339898 185312884 /nfs/dbraw/zinc/31/28/84/185312884.db2.gz NYJLQCCLWINYDR-CMPLNLGQSA-N 0 3 301.412 1.414 10 0 DDAEHN O=C1c2ccccc2C(=O)N1CCN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000306685162 539293944 /nfs/dbraw/zinc/29/39/44/539293944.db2.gz ISQHWASXIZBOEK-IHRRRGAJSA-N 0 3 314.385 1.375 10 0 DDAEHN COc1ccc(NC(=O)c2cn(C3CNC3)nn2)cc1Cl ZINC000092700033 185333879 /nfs/dbraw/zinc/33/38/79/185333879.db2.gz JEFLZXOBHCBKEK-UHFFFAOYSA-N 0 3 307.741 1.337 10 0 DDAEHN CCn1cc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1CN ZINC000092833148 185344806 /nfs/dbraw/zinc/34/48/06/185344806.db2.gz BWCGRZCSTZQUEV-UHFFFAOYSA-N 0 3 313.467 1.927 10 0 DDAEHN COCCOc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)ccn1 ZINC000181777981 199350779 /nfs/dbraw/zinc/35/07/79/199350779.db2.gz 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318.417 1.571 10 0 DDAEHN C[C@H](N[C@@H]1CN2CCC1CC2)c1ccc(S(C)(=O)=O)cc1 ZINC000020023539 182179605 /nfs/dbraw/zinc/17/96/05/182179605.db2.gz BRXUSJCGZBZYPA-BLLLJJGKSA-N 0 3 308.447 1.835 10 0 DDAEHN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1C[C@@H](O)CN1 ZINC000020434590 182217207 /nfs/dbraw/zinc/21/72/07/182217207.db2.gz KSBVWCBHWWWGOC-GHMZBOCLSA-N 0 3 313.195 1.727 10 0 DDAEHN COc1ccc(CNS(=O)(=O)c2cccc(CN)c2)cc1 ZINC000021020672 182261491 /nfs/dbraw/zinc/26/14/91/182261491.db2.gz JJYJGKSDHWHMPD-UHFFFAOYSA-N 0 3 306.387 1.632 10 0 DDAEHN C[C@@H](NCCn1cccc(Br)c1=O)[C@@H]1CCCO1 ZINC000097911387 193766915 /nfs/dbraw/zinc/76/69/15/193766915.db2.gz YLGHYAAXZLBIBF-PWSUYJOCSA-N 0 3 315.211 1.768 10 0 DDAEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)NC1CC1 ZINC000172117516 248324950 /nfs/dbraw/zinc/32/49/50/248324950.db2.gz JHFZRJGETRPAQX-QGZVFWFLSA-N 0 3 317.433 1.894 10 0 DDAEHN CCN1CCC[C@H](N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 ZINC000040502741 183084855 /nfs/dbraw/zinc/08/48/55/183084855.db2.gz 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Cc1cc(Br)ccc1CN[C@H]1CCOC[C@@H]1O ZINC000623764560 366043994 /nfs/dbraw/zinc/04/39/94/366043994.db2.gz GMICSEFEZRYHSQ-STQMWFEESA-N 0 3 300.196 1.997 10 0 DDAEHN O[C@H]1COCC[C@@H]1NCc1ccc(Br)cc1F ZINC000623764738 366044329 /nfs/dbraw/zinc/04/43/29/366044329.db2.gz JIOLNJAIGPXDCU-RYUDHWBXSA-N 0 3 304.159 1.828 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)NCCNC(=O)c2cccs2)C1 ZINC000052528011 352615134 /nfs/dbraw/zinc/61/51/34/352615134.db2.gz YCECQTDTSBDMCU-GFCCVEGCSA-N 0 3 324.450 1.261 10 0 DDAEHN CC[C@@H](O)CN1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000174072075 198287856 /nfs/dbraw/zinc/28/78/56/198287856.db2.gz XJSQXJJBIPNSLA-OAHLLOKOSA-N 0 3 307.438 1.596 10 0 DDAEHN CCc1cnc(NC(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000174205269 198305835 /nfs/dbraw/zinc/30/58/35/198305835.db2.gz PGLMYVWDZNTGLH-LLVKDONJSA-N 0 3 312.439 1.674 10 0 DDAEHN CC[C@H](O)CN1CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000182417966 354273113 /nfs/dbraw/zinc/27/31/13/354273113.db2.gz WIRDUKTZBNWGBC-ZWKOTPCHSA-N 0 3 306.450 1.369 10 0 DDAEHN Cc1cccc(C(=O)N2CCO[C@H](CN(C)CC3CC3)C2)n1 ZINC000328631585 354553515 /nfs/dbraw/zinc/55/35/15/354553515.db2.gz KRWFWGXONQENOK-OAHLLOKOSA-N 0 3 303.406 1.573 10 0 DDAEHN Clc1nc2nc(N3CCCC3)sc2c(N2CCNCC2)n1 ZINC000073736039 191349341 /nfs/dbraw/zinc/34/93/41/191349341.db2.gz UARDZOSNHFKJLI-UHFFFAOYSA-N 0 3 324.841 1.750 10 0 DDAEHN C[C@H](O)[C@@H](N)CNC(=O)c1cc(F)cc(Br)c1 ZINC000080696889 192183694 /nfs/dbraw/zinc/18/36/94/192183694.db2.gz INFSXMDEYHYPGG-WKEGUHRASA-N 0 3 305.147 1.026 10 0 DDAEHN C[C@H]1CCC[C@@](N)(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000080905153 192199481 /nfs/dbraw/zinc/19/94/81/192199481.db2.gz MXMNHQKFUWQDFO-HZMBPMFUSA-N 0 3 311.407 1.180 10 0 DDAEHN C[C@H]1CCC[C@@](N)(C(=O)N2CCN(CC(F)(F)F)CC2)C1 ZINC000080927660 192202503 /nfs/dbraw/zinc/20/25/03/192202503.db2.gz VHNAZZCKPWOOFU-AAEUAGOBSA-N 0 3 307.360 1.601 10 0 DDAEHN CCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000236920307 202071657 /nfs/dbraw/zinc/07/16/57/202071657.db2.gz TXESHUDKRIBOTI-CQSZACIVSA-N 0 3 323.824 1.752 10 0 DDAEHN CCC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000236925250 202075434 /nfs/dbraw/zinc/07/54/34/202075434.db2.gz UWERHNPWOHYXLS-CYBMUJFWSA-N 0 3 309.385 1.610 10 0 DDAEHN C[C@@H]1CN(C2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)CCO1 ZINC000237398397 202254289 /nfs/dbraw/zinc/25/42/89/202254289.db2.gz JTPAVKWAUVILBN-PBHICJAKSA-N 0 3 317.433 1.398 10 0 DDAEHN CCC[C@@H](C)N1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000187689929 200145114 /nfs/dbraw/zinc/14/51/14/200145114.db2.gz VLGCAGVGABCIHC-GFCCVEGCSA-N 0 3 302.426 1.982 10 0 DDAEHN C[C@H]1OCCC[C@H]1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000191443842 291197812 /nfs/dbraw/zinc/19/78/12/291197812.db2.gz SJQGVHAMNBQWRZ-GDBMZVCRSA-N 0 3 305.422 1.787 10 0 DDAEHN CC[C@@H](C)NC(=O)CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195278458 201372388 /nfs/dbraw/zinc/37/23/88/201372388.db2.gz YZWUJWMRSCEBSB-NVXWUHKLSA-N 0 3 318.465 1.750 10 0 DDAEHN CS(=O)(=O)c1ccc2[nH]c(C[C@H]3CSCCN3)nc2c1 ZINC000091128643 192994467 /nfs/dbraw/zinc/99/44/67/192994467.db2.gz 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/nfs/dbraw/zinc/05/52/21/193055221.db2.gz LVLTYOKXKFVTNY-CYBMUJFWSA-N 0 3 309.435 1.369 10 0 DDAEHN CCN([C@@H](C)COC)S(=O)(=O)c1ccc(CN)cc1F ZINC000092115984 193163876 /nfs/dbraw/zinc/16/38/76/193163876.db2.gz VTMDISOSBAALMR-JTQLQIEISA-N 0 3 304.387 1.330 10 0 DDAEHN CCO[C@@H]1CCCN(S(=O)(=O)c2ccc(CN)cc2F)C1 ZINC000092115955 193164696 /nfs/dbraw/zinc/16/46/96/193164696.db2.gz PTACZPBIMYFMOJ-GFCCVEGCSA-N 0 3 316.398 1.474 10 0 DDAEHN CC(C)(CNCCSc1ccccc1)NS(C)(=O)=O ZINC000092244369 193178712 /nfs/dbraw/zinc/17/87/12/193178712.db2.gz JDPUMZCDILBZAK-UHFFFAOYSA-N 0 3 302.465 1.696 10 0 DDAEHN CN(CCc1cccs1)S(=O)(=O)C[C@@H]1CCCCN1 ZINC000093292223 193225433 /nfs/dbraw/zinc/22/54/33/193225433.db2.gz NEXHKHZJRMRBNI-LBPRGKRZSA-N 0 3 302.465 1.694 10 0 DDAEHN CCN[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccn(C)n1 ZINC000093700534 193294055 /nfs/dbraw/zinc/29/40/55/193294055.db2.gz OKJXRMJOHSGMHL-TZMCWYRMSA-N 0 3 314.455 1.132 10 0 DDAEHN NC(=O)[C@]1(NC2CC2)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093826387 193313676 /nfs/dbraw/zinc/31/36/76/193313676.db2.gz VHTPXRBOTFTABW-YPMHNXCESA-N 0 3 305.344 1.542 10 0 DDAEHN CN[C@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1CN(C)CCN1C ZINC000094257035 193355642 /nfs/dbraw/zinc/35/56/42/193355642.db2.gz GGMBTZGMPLWENA-OLZOCXBDSA-N 0 3 310.511 1.817 10 0 DDAEHN CN(CCS(C)(=O)=O)c1ncc(CNC(C)(C)C)s1 ZINC000094301103 193358475 /nfs/dbraw/zinc/35/84/75/193358475.db2.gz AUOYEWOZRXZCSA-UHFFFAOYSA-N 0 3 305.469 1.512 10 0 DDAEHN Cc1cc(N)c(C)c(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1 ZINC000094358722 193364064 /nfs/dbraw/zinc/36/40/64/193364064.db2.gz BBFQLCGGTKIWTQ-ZDUSSCGKSA-N 0 3 311.451 1.458 10 0 DDAEHN CCC(N)(CC)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000094244805 193354326 /nfs/dbraw/zinc/35/43/26/193354326.db2.gz KPBVWRGLNNULOX-UHFFFAOYSA-N 0 3 309.435 1.550 10 0 DDAEHN Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1N ZINC000094637415 193386777 /nfs/dbraw/zinc/38/67/77/193386777.db2.gz VXDIPRVCOOVUTI-SNVBAGLBSA-N 0 3 317.842 1.461 10 0 DDAEHN Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1N ZINC000094637414 193386876 /nfs/dbraw/zinc/38/68/76/193386876.db2.gz VXDIPRVCOOVUTI-JTQLQIEISA-N 0 3 317.842 1.461 10 0 DDAEHN CCN(C[C@H](C)C(N)=S)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094636593 193387057 /nfs/dbraw/zinc/38/70/57/193387057.db2.gz WSSJDJFUIVMZEU-TUAOUCFPSA-N 0 3 306.497 1.586 10 0 DDAEHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(N)cc(F)c1 ZINC000094457241 193371158 /nfs/dbraw/zinc/37/11/58/193371158.db2.gz OLSUQWYZJHBDAB-GXFFZTMASA-N 0 3 313.398 1.265 10 0 DDAEHN CC(C)[C@H]1CN2CCC[C@@H]2CN1C1CCS(=O)(=O)CC1 ZINC000094448203 193371706 /nfs/dbraw/zinc/37/17/06/193371706.db2.gz UNZWLIMFFNAIPG-HUUCEWRRSA-N 0 3 300.468 1.368 10 0 DDAEHN C[C@@H]1SCCC[C@@H]1NCc1cccc(S(N)(=O)=O)c1 ZINC000094477791 193373037 /nfs/dbraw/zinc/37/30/37/193373037.db2.gz RVARTYAANGIJCU-GWCFXTLKSA-N 0 3 300.449 1.708 10 0 DDAEHN N[C@H](Cc1ccc(Br)s1)[C@H]1CN2CCN1CC2 ZINC000094508223 193375851 /nfs/dbraw/zinc/37/58/51/193375851.db2.gz AGDXBVIPILYDNW-GHMZBOCLSA-N 0 3 316.268 1.380 10 0 DDAEHN N[C@@H](Cc1c(Cl)cccc1Cl)[C@H]1CN2CCN1CC2 ZINC000094508202 193375862 /nfs/dbraw/zinc/37/58/62/193375862.db2.gz MNZCYJVBZMLZFO-UONOGXRCSA-N 0 3 300.233 1.863 10 0 DDAEHN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1NN)N(C)C ZINC000094596568 193382556 /nfs/dbraw/zinc/38/25/56/193382556.db2.gz DWXRNHKRQPDMDX-MRVPVSSYSA-N 0 3 304.316 1.671 10 0 DDAEHN COc1ccc(NS(=O)(=O)[C@H]2CCCNC2)cc1OC ZINC000019806956 182152748 /nfs/dbraw/zinc/15/27/48/182152748.db2.gz PURRIHLUHYKWKK-NSHDSACASA-N 0 3 300.380 1.198 10 0 DDAEHN Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1C[C@H](O)CN1 ZINC000020434591 182217169 /nfs/dbraw/zinc/21/71/69/182217169.db2.gz KSBVWCBHWWWGOC-QWRGUYRKSA-N 0 3 313.195 1.727 10 0 DDAEHN CCNc1ccccc1S(=O)(=O)NCC1(N(C)C)CCC1 ZINC000097935834 193768492 /nfs/dbraw/zinc/76/84/92/193768492.db2.gz HTMYMRPDTCYLRX-UHFFFAOYSA-N 0 3 311.451 1.881 10 0 DDAEHN N[C@@H]1CC(=O)N(c2ccc(I)cc2)C1 ZINC000035679794 182785450 /nfs/dbraw/zinc/78/54/50/182785450.db2.gz WINXMZFSTIRKFS-MRVPVSSYSA-N 0 3 302.115 1.355 10 0 DDAEHN 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320.389 1.691 10 0 DDAEHN CCS[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261737214 407594536 /nfs/dbraw/zinc/59/45/36/407594536.db2.gz KFTRFYVQUXQCAT-MCIONIFRSA-N 0 3 300.468 1.921 10 0 DDAEHN CC(=O)c1ccccc1OCCN1CCO[C@@H](CN(C)C)C1 ZINC000171637788 407730047 /nfs/dbraw/zinc/73/00/47/407730047.db2.gz KNXLFISWRUVPHJ-HNNXBMFYSA-N 0 3 306.406 1.530 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCO1 ZINC000116783889 407776248 /nfs/dbraw/zinc/77/62/48/407776248.db2.gz QTIVJOTWNCNUFM-INIZCTEOSA-N 0 3 314.389 1.275 10 0 DDAEHN C[C@]1(CNC(=O)NC[C@H](O)CN2CCCCC2)CCCS1 ZINC000153290018 407794049 /nfs/dbraw/zinc/79/40/49/407794049.db2.gz BYDKJJIPTFREEV-DZGCQCFKSA-N 0 3 315.483 1.418 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2)CCO1 ZINC000116978131 407802540 /nfs/dbraw/zinc/80/25/40/407802540.db2.gz OJFCZEUMPJZFQE-AWEZNQCLSA-N 0 3 314.389 1.479 10 0 DDAEHN Cc1c(C(=O)N2CCN3CCC[C@@H]3C2)cnn1C1CCOCC1 ZINC000179813915 407836473 /nfs/dbraw/zinc/83/64/73/407836473.db2.gz 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/nfs/dbraw/zinc/02/35/70/408023570.db2.gz LPKBVFYSAVONBE-CYBMUJFWSA-N 0 3 322.409 1.367 10 0 DDAEHN CC[C@@H]1CN(CCO[C@@H]2CCCCO2)CCN1CCOC ZINC000181688870 408027664 /nfs/dbraw/zinc/02/76/64/408027664.db2.gz JJGVGDVQEKVMPH-HZPDHXFCSA-N 0 3 300.443 1.572 10 0 DDAEHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263017083 408004204 /nfs/dbraw/zinc/00/42/04/408004204.db2.gz QLVLFIOITCHCNL-CABCVRRESA-N 0 3 323.387 1.764 10 0 DDAEHN COc1ccc([C@H](C)c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263214407 408059206 /nfs/dbraw/zinc/05/92/06/408059206.db2.gz KQGKJRLHNQMWMJ-SMDDNHRTSA-N 0 3 302.378 1.806 10 0 DDAEHN CN1CCNC[C@H]1c1noc(CCSCc2ccccn2)n1 ZINC000263249310 408075683 /nfs/dbraw/zinc/07/56/83/408075683.db2.gz PQBBCYLYBMIART-ZDUSSCGKSA-N 0 3 319.434 1.517 10 0 DDAEHN CN(C)[C@H](c1nc([C@@H]2CNCCN2C)no1)c1ccccc1 ZINC000263272198 408084769 /nfs/dbraw/zinc/08/47/69/408084769.db2.gz SIQPFEVDJPDGHD-KBPBESRZSA-N 0 3 301.394 1.297 10 0 DDAEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)Nc1ncccn1 ZINC000245911382 408094906 /nfs/dbraw/zinc/09/49/06/408094906.db2.gz DJZWLFIIAORYNV-TZMCWYRMSA-N 0 3 314.393 1.473 10 0 DDAEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCNC(C)(C)C1 ZINC000175388366 408118521 /nfs/dbraw/zinc/11/85/21/408118521.db2.gz CMDJUSPXUQZXRF-LBPRGKRZSA-N 0 3 304.394 1.407 10 0 DDAEHN CC(C)C[C@H](CN(C)C)NC(=O)CNC(=O)c1cccc(F)c1 ZINC000137108359 408140887 /nfs/dbraw/zinc/14/08/87/408140887.db2.gz AGQCCTAUFHSUNH-OAHLLOKOSA-N 0 3 323.412 1.648 10 0 DDAEHN CCCn1nc(C)c(CN2CC[C@H](N3CCOCC3)C2)c1C ZINC000120961403 408150494 /nfs/dbraw/zinc/15/04/94/408150494.db2.gz VQYZBMNZGAVGNL-INIZCTEOSA-N 0 3 306.454 1.816 10 0 DDAEHN CN(C[C@H](O)COCc1ccc(Cl)cc1)CC1(CO)CC1 ZINC000190041509 408155069 /nfs/dbraw/zinc/15/50/69/408155069.db2.gz IJEOQWBQNHPLOT-HNNXBMFYSA-N 0 3 313.825 1.922 10 0 DDAEHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)[C@H](C)[C@@H](C)O ZINC000246156720 408156151 /nfs/dbraw/zinc/15/61/51/408156151.db2.gz GZRJPOYKTJIFGW-LOWDOPEQSA-N 0 3 313.419 1.436 10 0 DDAEHN C[C@@H](C(=O)N1CCCCC1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175587788 408169939 /nfs/dbraw/zinc/16/99/39/408169939.db2.gz ZAYHSDHIXKWITC-PMPSAXMXSA-N 0 3 309.454 1.040 10 0 DDAEHN CC[C@H]1CCCCN1CCNC(=O)N[C@@H](C(=O)NC)C(C)C ZINC000246238771 408188465 /nfs/dbraw/zinc/18/84/65/408188465.db2.gz SRNZGACQNJBBIF-UONOGXRCSA-N 0 3 312.458 1.321 10 0 DDAEHN Cc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246469852 408262247 /nfs/dbraw/zinc/26/22/47/408262247.db2.gz QAEMUUQYNCMTCM-IUODEOHRSA-N 0 3 321.396 1.918 10 0 DDAEHN C[C@H](CNC(=O)c1cccc(CN(C)C)c1)N1CCOCC1 ZINC000155717062 408199315 /nfs/dbraw/zinc/19/93/15/408199315.db2.gz TVXZXHQGIIREPF-CQSZACIVSA-N 0 3 305.422 1.199 10 0 DDAEHN COCCN(C)CCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182654080 408214725 /nfs/dbraw/zinc/21/47/25/408214725.db2.gz CORBWMUUACEPEP-AWEZNQCLSA-N 0 3 309.414 1.225 10 0 DDAEHN C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)C[C@H]1N1CCOCC1 ZINC000246309512 408217024 /nfs/dbraw/zinc/21/70/24/408217024.db2.gz CJQQFSOVJAOEKT-XYPHTWIQSA-N 0 3 308.397 1.512 10 0 DDAEHN Cc1cc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)ccc1C(N)=O ZINC000246356828 408230504 /nfs/dbraw/zinc/23/05/04/408230504.db2.gz IFDWGRXVKIBFDL-DOMZBBRYSA-N 0 3 318.421 1.944 10 0 DDAEHN COc1cccc(/C(C)=C/C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000176093521 408284897 /nfs/dbraw/zinc/28/48/97/408284897.db2.gz FGEOXFGGOWUMOU-IDKBZEPQSA-N 0 3 318.417 1.888 10 0 DDAEHN Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c(F)c1 ZINC000246567126 408293341 /nfs/dbraw/zinc/29/33/41/408293341.db2.gz XCRAZXWAQGVIKG-IUODEOHRSA-N 0 3 321.396 1.918 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1-n1ccnn1 ZINC000182982912 408298011 /nfs/dbraw/zinc/29/80/11/408298011.db2.gz ICPGCGHFNXVJDC-CQSZACIVSA-N 0 3 313.405 1.824 10 0 DDAEHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCO1 ZINC000183225994 408359929 /nfs/dbraw/zinc/35/99/29/408359929.db2.gz YPHUKZVCPJDHSW-ISTVAULSSA-N 0 3 318.377 1.340 10 0 DDAEHN CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1 ZINC000170866376 162197095 /nfs/dbraw/zinc/19/70/95/162197095.db2.gz VNXKSASVSQRHQZ-HUUCEWRRSA-N 0 3 322.453 1.077 10 0 DDAEHN COc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)ccc1O ZINC000171900167 162246392 /nfs/dbraw/zinc/24/63/92/162246392.db2.gz SPZXNJLQOJTLSM-CYBMUJFWSA-N 0 3 305.378 1.390 10 0 DDAEHN O=C(NCCCOC1CCOCC1)N1CCN2CCC[C@@H]2C1 ZINC000173501744 162343576 /nfs/dbraw/zinc/34/35/76/162343576.db2.gz MAWCLSHPZOTIGR-CQSZACIVSA-N 0 3 311.426 1.062 10 0 DDAEHN O=C(CN1CCN2CCC[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000247358842 408457528 /nfs/dbraw/zinc/45/75/28/408457528.db2.gz HDZYZGXFWXEQKH-HNNXBMFYSA-N 0 3 309.360 1.361 10 0 DDAEHN Cc1cccc(OC[C@H](O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000247230123 408433381 /nfs/dbraw/zinc/43/33/81/408433381.db2.gz RHAZSCZHKWASRS-GVDBMIGSSA-N 0 3 322.449 1.122 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000247503672 408483271 /nfs/dbraw/zinc/48/32/71/408483271.db2.gz VGVHCOBWILMLNR-YPMHNXCESA-N 0 3 315.373 1.326 10 0 DDAEHN COC[C@@H](C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000183766029 408484206 /nfs/dbraw/zinc/48/42/06/408484206.db2.gz HBQVADWNXCCTNE-CJNGLKHVSA-N 0 3 306.406 1.152 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000176977789 408490152 /nfs/dbraw/zinc/49/01/52/408490152.db2.gz HVOZKEZLTPOGCN-CYBMUJFWSA-N 0 3 317.389 1.574 10 0 DDAEHN CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCO1 ZINC000247545449 408491366 /nfs/dbraw/zinc/49/13/66/408491366.db2.gz RNNWUAAZAPJYMQ-UPJWGTAASA-N 0 3 324.371 1.857 10 0 DDAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1N1CCCC1 ZINC000247472759 408475287 /nfs/dbraw/zinc/47/52/87/408475287.db2.gz RVMBMUPBJDACLY-GJZGRUSLSA-N 0 3 314.433 1.991 10 0 DDAEHN CCOc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000247476913 408478439 /nfs/dbraw/zinc/47/84/39/408478439.db2.gz SHDCUOJXMPTXFZ-KGLIPLIRSA-N 0 3 324.446 1.943 10 0 DDAEHN CCCCOC[C@H](O)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000248643672 408606314 /nfs/dbraw/zinc/60/63/14/408606314.db2.gz DUQZHDSRQVPBAW-HUUCEWRRSA-N 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310.781 1.788 10 0 DDAEHN CCc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCc2ncnn2C1 ZINC000171597326 298233970 /nfs/dbraw/zinc/23/39/70/298233970.db2.gz YWEPJIAYPFMODU-GXTWGEPZSA-N 0 3 313.405 1.772 10 0 DDAEHN C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@@H](CN(C)C)C2)C[C@H](C)O1 ZINC000366998795 300788180 /nfs/dbraw/zinc/78/81/80/300788180.db2.gz SHSDRORRIJIHSC-XGUBFFRZSA-N 0 3 313.442 1.162 10 0 DDAEHN CCC[C@@H](C(=O)N1CCC(N2CCCCC2=O)CC1)N(C)C ZINC000156114813 520576057 /nfs/dbraw/zinc/57/60/57/520576057.db2.gz GWLDZMQLCLHOFS-HNNXBMFYSA-N 0 3 309.454 1.720 10 0 DDAEHN Cc1ccc2c(CC(=O)N3CCO[C@H](CN(C)C)C3)c[nH]c2c1 ZINC000116783552 696668493 /nfs/dbraw/zinc/66/84/93/696668493.db2.gz QEZIJYAIQWXEGC-OAHLLOKOSA-N 0 3 315.417 1.808 10 0 DDAEHN CC[C@@H]1CN(Cn2nc(C)sc2=S)CCN1CCOC ZINC000117325063 696670778 /nfs/dbraw/zinc/67/07/78/696670778.db2.gz QVIFBEJELQFQBT-GFCCVEGCSA-N 0 3 316.496 1.983 10 0 DDAEHN C[C@H]1CN(S(=O)(=O)c2cccnc2Cl)C[C@H]1N(C)C ZINC000251828559 698401459 /nfs/dbraw/zinc/40/14/59/698401459.db2.gz 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192352238 /nfs/dbraw/zinc/35/22/38/192352238.db2.gz XOGXCCYENXSFLO-KUHUBIRLSA-N 0 3 317.476 1.439 10 0 DDAEHN COc1ccc(NC(=O)[C@@H]2COC[C@@H]2N)c(C(F)(F)F)c1 ZINC000090379856 185293511 /nfs/dbraw/zinc/29/35/11/185293511.db2.gz IAUYVDCNDHRZQN-SCZZXKLOSA-N 0 3 304.268 1.626 10 0 DDAEHN N[C@@H]1COC[C@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000090378998 185293714 /nfs/dbraw/zinc/29/37/14/185293714.db2.gz YUWMMWNBRHEBSA-ZYHUDNBSSA-N 0 3 303.189 1.626 10 0 DDAEHN CN[C@@H]1COC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000090434261 185296098 /nfs/dbraw/zinc/29/60/98/185296098.db2.gz DKPVFUAYROYXBK-QWHCGFSZSA-N 0 3 303.387 1.983 10 0 DDAEHN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(CN)n(C)c1 ZINC000092344100 185313283 /nfs/dbraw/zinc/31/32/83/185313283.db2.gz JMSVSRFOPGJOTQ-VIFPVBQESA-N 0 3 312.395 1.128 10 0 DDAEHN COc1ccc(Cl)cc1NC(=O)c1cn(C2CNC2)nn1 ZINC000092700090 185333893 /nfs/dbraw/zinc/33/38/93/185333893.db2.gz PGKUSNZDEOTZDQ-UHFFFAOYSA-N 0 3 307.741 1.337 10 0 DDAEHN COCc1ccc(CNC(=O)CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000183156927 199546812 /nfs/dbraw/zinc/54/68/12/199546812.db2.gz MGOOQNRZEDOYFN-CZUORRHYSA-N 0 3 306.406 1.606 10 0 DDAEHN CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)C1CCN(C)CC1 ZINC000071665649 191001533 /nfs/dbraw/zinc/00/15/33/191001533.db2.gz MBBZCPGBAIXWIX-UHFFFAOYSA-N 0 3 316.405 1.860 10 0 DDAEHN NC(=O)c1ccc(F)c(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171890810 198002036 /nfs/dbraw/zinc/00/20/36/198002036.db2.gz NYRUZJAVIUYHOE-LLVKDONJSA-N 0 3 306.341 1.237 10 0 DDAEHN COc1ccc(CCNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171897273 198004132 /nfs/dbraw/zinc/00/41/32/198004132.db2.gz HUEXFYWMWHANEQ-HNNXBMFYSA-N 0 3 303.406 1.727 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(OCCC(N)=O)cc2)C1 ZINC000173902542 198265959 /nfs/dbraw/zinc/26/59/59/198265959.db2.gz GOSPXQUMDXPMEE-ZDUSSCGKSA-N 0 3 320.393 1.109 10 0 DDAEHN COC[C@H](O)CN1CCC(Nc2nc(C(C)C)ns2)CC1 ZINC000089646220 353776865 /nfs/dbraw/zinc/77/68/65/353776865.db2.gz WYCLECPXMMWFCZ-GFCCVEGCSA-N 0 3 314.455 1.545 10 0 DDAEHN c1c(N2CCCC2)nc(N2CCNCC2)nc1N1CCCC1 ZINC000140039001 354133157 /nfs/dbraw/zinc/13/31/57/354133157.db2.gz MVCQTGODWFNGIU-UHFFFAOYSA-N 0 3 302.426 1.087 10 0 DDAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000248718519 354370472 /nfs/dbraw/zinc/37/04/72/354370472.db2.gz DAJMYSJRGGTUSG-CMPLNLGQSA-N 0 3 324.812 1.518 10 0 DDAEHN CN(CC1CC1)C[C@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000328653528 354560103 /nfs/dbraw/zinc/56/01/03/354560103.db2.gz WXDNRIROKRRJEQ-CVEARBPZSA-N 0 3 310.438 1.515 10 0 DDAEHN CCCn1cc(Br)cc1C(=O)NC[C@H](N)[C@@H](C)O ZINC000080697743 192183553 /nfs/dbraw/zinc/18/35/53/192183553.db2.gz YREDPLFNMWGRMC-SCZZXKLOSA-N 0 3 318.215 1.099 10 0 DDAEHN CN(C)CCOc1nc2cnccn2c(=O)c1-c1ccccc1 ZINC000005689010 181273140 /nfs/dbraw/zinc/27/31/40/181273140.db2.gz VSPRROZPIHCZDO-UHFFFAOYSA-N 0 3 310.357 1.697 10 0 endogenous,in-man DDAEHN CCC[C@@H](N)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000236914876 202068766 /nfs/dbraw/zinc/06/87/66/202068766.db2.gz ZELXIFXYEVVEGV-OAHLLOKOSA-N 0 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APZKNXRJCCRBHA-GFCCVEGCSA-N 0 3 308.407 1.190 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000188705078 200290973 /nfs/dbraw/zinc/29/09/73/200290973.db2.gz YSBUZXIDNUGFMS-HOCLYGCPSA-N 0 3 316.405 1.517 10 0 DDAEHN CN(Cc1cccnc1)C[C@@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000195295253 201374938 /nfs/dbraw/zinc/37/49/38/201374938.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 0 3 316.449 1.362 10 0 DDAEHN Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)cc(N)c1C ZINC000091394932 193049925 /nfs/dbraw/zinc/04/99/25/193049925.db2.gz STAJOAORCOWVOB-CYBMUJFWSA-N 0 3 311.451 1.600 10 0 DDAEHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc(C(N)=S)cc2)C1 ZINC000091395331 193050995 /nfs/dbraw/zinc/05/09/95/193050995.db2.gz VKPSDSYUNJAUHL-CQSZACIVSA-N 0 3 305.447 1.416 10 0 DDAEHN Cc1nc(NC(=O)[C@]2(C)COC[C@H]2N)ccc1Br ZINC000091507351 193066589 /nfs/dbraw/zinc/06/65/89/193066589.db2.gz HBHFTXDZHZJUCW-BXKDBHETSA-N 0 3 314.183 1.455 10 0 DDAEHN CNCc1cc(Cl)c(OC[C@@H]2CN(C)CCO2)c(OC)c1 ZINC000092054020 193149602 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/nfs/dbraw/zinc/20/30/37/295203037.db2.gz MDSYJWLTRGDXSX-QWRGUYRKSA-N 0 3 308.344 1.979 10 0 DDAEHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnc2)CCN1C ZINC000333023885 298313875 /nfs/dbraw/zinc/31/38/75/298313875.db2.gz GHDUJCRFEWSSML-ILXRZTDVSA-N 0 3 305.426 1.540 10 0 DDAEHN C[NH+](C)[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528409244 303024176 /nfs/dbraw/zinc/02/41/76/303024176.db2.gz ZQPKLJMLSVEQLK-NSHDSACASA-N 0 3 313.195 1.931 10 0 DDAEHN CCN(CCO)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000248625580 484234168 /nfs/dbraw/zinc/23/41/68/484234168.db2.gz CXQNLUHKHQNPIV-SJORKVTESA-N 0 3 320.433 1.585 10 0 DDAEHN CC[C@H]1CN(Cc2c(C)nn(C)c2Cl)CCN1C[C@@H](C)O ZINC000105912615 696625479 /nfs/dbraw/zinc/62/54/79/696625479.db2.gz QUFOQAHVXLZWDO-YPMHNXCESA-N 0 3 314.861 1.659 10 0 DDAEHN CC[NH+](CC)[C@@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC000109947660 696638881 /nfs/dbraw/zinc/63/88/81/696638881.db2.gz HASQDHAXNCNPQW-NSHDSACASA-N 0 3 302.378 1.383 10 0 DDAEHN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CN2CCC1CC2 ZINC000222590662 697757632 /nfs/dbraw/zinc/75/76/32/697757632.db2.gz ACYITALPYQAOKA-PMUGQKEBSA-N 0 3 300.358 1.639 10 0 DDAEHN C/C=C\CC(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000229903092 697780300 /nfs/dbraw/zinc/78/03/00/697780300.db2.gz ZBPUHFGPQGJOHB-XDXAGZTOSA-N 0 3 321.465 1.745 10 0 DDAEHN CCCCOC(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000246961151 698358218 /nfs/dbraw/zinc/35/82/18/698358218.db2.gz RMKDJVMJDFTBNC-KKUMJFAQSA-N 0 3 300.443 1.495 10 0 DDAEHN COc1ccccc1OCCN(C)C(=O)[C@H](N)C1CCOCC1 ZINC000261827309 698439558 /nfs/dbraw/zinc/43/95/58/698439558.db2.gz PUPKERLTXOZKSI-MRXNPFEDSA-N 0 3 322.405 1.286 10 0 DDAEHN Nc1nc([C@@H]2CC[N@H+](CCSc3ccncc3)C2)cc(=O)[n-]1 ZINC000931031752 713986417 /nfs/dbraw/zinc/98/64/17/713986417.db2.gz DQYWMBHFRVKDTR-LLVKDONJSA-N 0 3 317.418 1.741 10 0 DDAEHN Nc1nc([C@@H]2CC[N@@H+](CCSc3ccncc3)C2)cc(=O)[n-]1 ZINC000931031752 713986419 /nfs/dbraw/zinc/98/64/19/713986419.db2.gz 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VRIOAIKCBCODCX-UHFFFAOYSA-N 0 3 300.185 1.583 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)C[C@H](C)NC(=O)c2ccccc2)C1 ZINC000249611617 282184865 /nfs/dbraw/zinc/18/48/65/282184865.db2.gz MDPCTOJULMXSQL-GOEBONIOSA-N 0 3 317.433 1.796 10 0 DDAEHN CC[C@H](CN)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000087517845 185227490 /nfs/dbraw/zinc/22/74/90/185227490.db2.gz CYAWZYXTVQHSHC-MRVPVSSYSA-N 0 3 304.799 1.667 10 0 DDAEHN COc1cc(OC)c([C@H](CN)NCC(F)(F)F)cc1OC ZINC000087929558 185237739 /nfs/dbraw/zinc/23/77/39/185237739.db2.gz QBBXTTPIYGOUGO-VIFPVBQESA-N 0 3 308.300 1.864 10 0 DDAEHN CCc1cc(N(C)CCNS(C)(=O)=O)c2ccccc2n1 ZINC000301779404 529528583 /nfs/dbraw/zinc/52/85/83/529528583.db2.gz IFQJUXKGMJOODC-UHFFFAOYSA-N 0 3 307.419 1.783 10 0 DDAEHN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1cccs1 ZINC000182543879 539239877 /nfs/dbraw/zinc/23/98/77/539239877.db2.gz SSEREMSAWJRTCY-JTQLQIEISA-N 0 3 314.436 1.111 10 0 DDAEHN CNCc1cnccc1-n1cc(I)cn1 ZINC000088115537 185239891 /nfs/dbraw/zinc/23/98/91/185239891.db2.gz YOGGTPGVMKSOQJ-UHFFFAOYSA-N 0 3 314.130 1.591 10 0 DDAEHN C[C@@H](C[NH2+]C(C)(C)C)Cn1cc(Br)c(=O)[n-]c1=O ZINC000088453003 185251798 /nfs/dbraw/zinc/25/17/98/185251798.db2.gz WKDQIEPGEOOMMD-QMMMGPOBSA-N 0 3 318.215 1.323 10 0 DDAEHN CCOC[C@H](C)[N-]S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088543029 185256377 /nfs/dbraw/zinc/25/63/77/185256377.db2.gz TWMGXMPLSHRBHJ-NSHDSACASA-N 0 3 318.439 1.871 10 0 DDAEHN CCOC(=O)[C@H]1CNCCN1C1CCC(C(F)(F)F)CC1 ZINC000088657907 185261873 /nfs/dbraw/zinc/26/18/73/185261873.db2.gz KQNRMONCSNRERB-HTAVTVPLSA-N 0 3 308.344 1.944 10 0 DDAEHN Cc1ccccc1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1N ZINC000088716829 185263157 /nfs/dbraw/zinc/26/31/57/185263157.db2.gz ZXUCRPYZALSRBC-HOCLYGCPSA-N 0 3 302.399 1.898 10 0 DDAEHN CC[C@H]1CN(c2ncnc3onc(C)c32)CCN1C[C@H](C)O ZINC000248721211 539272539 /nfs/dbraw/zinc/27/25/39/539272539.db2.gz GRRXQWCSPIDJTJ-JQWIXIFHSA-N 0 3 305.382 1.208 10 0 DDAEHN COc1ccc([C@@H](C)N)cc1C[S@](=O)CCS(C)(=O)=O ZINC000081992029 192352149 /nfs/dbraw/zinc/35/21/49/192352149.db2.gz JNOBYNRQJLASJZ-DGIBIBHMSA-N 0 3 319.448 1.008 10 0 DDAEHN CCN(C1CNC1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000090291423 185289552 /nfs/dbraw/zinc/28/95/52/185289552.db2.gz QRABKEOBFFNXDJ-BQYQJAHWSA-N 0 3 300.811 1.934 10 0 DDAEHN CNCc1cc(S(=O)(=O)NCc2c(C)noc2C)cs1 ZINC000092344233 185313367 /nfs/dbraw/zinc/31/33/67/185313367.db2.gz LBDJAGIIBRXVBU-UHFFFAOYSA-N 0 3 315.420 1.551 10 0 DDAEHN Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000092339921 185312979 /nfs/dbraw/zinc/31/29/79/185312979.db2.gz KPLPRFFQRPAVHS-UHFFFAOYSA-N 0 3 315.420 1.333 10 0 DDAEHN Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(CN)cs1 ZINC000092344062 185313102 /nfs/dbraw/zinc/31/31/02/185313102.db2.gz JCGMPIFOFUUYGD-QMMMGPOBSA-N 0 3 315.420 1.851 10 0 DDAEHN Nc1ccnc(CSc2nnnn2-c2ccc(O)cc2)c1 ZINC000092420905 185317098 /nfs/dbraw/zinc/31/70/98/185317098.db2.gz ZVNKZHUQSDTDQU-UHFFFAOYSA-N 0 3 300.347 1.637 10 0 DDAEHN O=C(Nc1ccnn1C1CNC1)c1ccc(Br)o1 ZINC000725258754 539570551 /nfs/dbraw/zinc/57/05/51/539570551.db2.gz ZEQWPNKVCCOVBX-UHFFFAOYSA-N 0 3 311.139 1.635 10 0 DDAEHN CCn1nncc1CNC[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000623584065 365944069 /nfs/dbraw/zinc/94/40/69/365944069.db2.gz FCYYQQDGTYKNHE-SWLSCSKDSA-N 0 3 304.398 1.289 10 0 DDAEHN CS(=O)(=O)c1ccc([S@](=O)[C@@H]2CCCC[C@@H]2N)cc1 ZINC000084056053 192397884 /nfs/dbraw/zinc/39/78/84/192397884.db2.gz CBLNTTWVPNYXPY-VEVIJQCQSA-N 0 3 301.433 1.468 10 0 DDAEHN CNC(=O)c1cccc(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171887339 198000637 /nfs/dbraw/zinc/00/06/37/198000637.db2.gz NKTCSQDAWNUPBK-CQSZACIVSA-N 0 3 302.378 1.358 10 0 DDAEHN Cc1cc(Br)ccc1CN[C@H]1CCOC[C@H]1O ZINC000623764559 366043822 /nfs/dbraw/zinc/04/38/22/366043822.db2.gz GMICSEFEZRYHSQ-QWHCGFSZSA-N 0 3 300.196 1.997 10 0 DDAEHN Cc1sc(=O)n(CCC(=O)N2CCN3CCC[C@H]3C2)c1C ZINC000172217452 198059604 /nfs/dbraw/zinc/05/96/04/198059604.db2.gz NIEDFDQBFPSQJD-ZDUSSCGKSA-N 0 3 309.435 1.223 10 0 DDAEHN C[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)C[C@H]1N1CCOCC1 ZINC000173802276 198254185 /nfs/dbraw/zinc/25/41/85/198254185.db2.gz IXIVUWNCAQPZMP-IUODEOHRSA-N 0 3 314.389 1.356 10 0 DDAEHN CCCNC(=O)c1ccc(NC[C@H](O)CN2CCCCC2)nc1 ZINC000174683515 198370690 /nfs/dbraw/zinc/37/06/90/198370690.db2.gz KGXMBGKUJHSESQ-HNNXBMFYSA-N 0 3 320.437 1.480 10 0 DDAEHN CCCC[C@H](COC)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000153787562 354200610 /nfs/dbraw/zinc/20/06/10/354200610.db2.gz RSLBIGHBPFQGBS-CABCVRRESA-N 0 3 315.458 1.338 10 0 DDAEHN Cc1ncccc1C(=O)N1CCO[C@H](CN(C)CC2CC2)C1 ZINC000328626036 354550239 /nfs/dbraw/zinc/55/02/39/354550239.db2.gz DSXWHCKKAQQDPM-OAHLLOKOSA-N 0 3 303.406 1.573 10 0 DDAEHN CCC[C@H](N)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000236812349 202021405 /nfs/dbraw/zinc/02/14/05/202021405.db2.gz WAMSQWUYZCNRRE-INIZCTEOSA-N 0 3 317.433 1.669 10 0 DDAEHN COCCNCc1cccc2c1ccn2CCS(C)(=O)=O ZINC000080089819 192000342 /nfs/dbraw/zinc/00/03/42/192000342.db2.gz XJWMHZBAKQUBQE-UHFFFAOYSA-N 0 3 310.419 1.422 10 0 DDAEHN CCN[C@@H](C)c1csc(N2CCN(CCN(C)C)CC2)n1 ZINC000080830521 192194533 /nfs/dbraw/zinc/19/45/33/192194533.db2.gz CPCYWECNYFCTNH-ZDUSSCGKSA-N 0 3 311.499 1.497 10 0 DDAEHN CCCNCc1nc(N2CCn3cnnc3C2)ccc1Cl ZINC000081542464 192288109 /nfs/dbraw/zinc/28/81/09/192288109.db2.gz AVBLLRJALPORJH-UHFFFAOYSA-N 0 3 306.801 1.846 10 0 DDAEHN CCC[C@@H](N)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000236959369 202093206 /nfs/dbraw/zinc/09/32/06/202093206.db2.gz DNCFXQUXXBRLKH-LSDHHAIUSA-N 0 3 306.406 1.570 10 0 DDAEHN CC(C)N(C)S(=O)(=O)c1ccc(CN)cc1Br ZINC000088917153 192657010 /nfs/dbraw/zinc/65/70/10/192657010.db2.gz JJVVJJLHHWWWTB-UHFFFAOYSA-N 0 3 321.240 1.937 10 0 DDAEHN CC[C@H](C)N(CC)S(=O)(=O)c1ccc(OC)c(CN)c1 ZINC000088950755 192666316 /nfs/dbraw/zinc/66/63/16/192666316.db2.gz GVRVGUQYYHCUDA-NSHDSACASA-N 0 3 300.424 1.963 10 0 DDAEHN Cc1[nH]nc(S(=O)(=O)N(C)C2CCCCCC2)c1CN ZINC000088970507 192674874 /nfs/dbraw/zinc/67/48/74/192674874.db2.gz CHIGIVVVXYSQOY-UHFFFAOYSA-N 0 3 300.428 1.520 10 0 DDAEHN O=C(c1ccnc(OCC(F)F)c1)N1CCN2CCC[C@H]2C1 ZINC000179342375 199018609 /nfs/dbraw/zinc/01/86/09/199018609.db2.gz GFTHGOBCDQXRII-LBPRGKRZSA-N 0 3 311.332 1.646 10 0 DDAEHN COc1cccc(CCCNC(=O)C[C@H]2CSCCN2)c1 ZINC000237379026 202249275 /nfs/dbraw/zinc/24/92/75/202249275.db2.gz RTMZPONPHHDVGB-AWEZNQCLSA-N 0 3 308.447 1.839 10 0 DDAEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(-n2cncn2)cc1 ZINC000180590378 199180508 /nfs/dbraw/zinc/18/05/08/199180508.db2.gz WWBFELXWMIJHLY-JSGCOSHPSA-N 0 3 309.377 1.524 10 0 DDAEHN CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(CN)cc(C)c1C ZINC000089021943 192702153 /nfs/dbraw/zinc/70/21/53/192702153.db2.gz XUTMOWGJVRKCJO-ZIAGYGMSSA-N 0 3 312.435 1.608 10 0 DDAEHN CC(C)n1cc(S(=O)(=O)NCCC(F)(F)F)cc1CN ZINC000089035165 192710401 /nfs/dbraw/zinc/71/04/01/192710401.db2.gz AGYZQFDSFLEDEM-UHFFFAOYSA-N 0 3 313.345 1.758 10 0 DDAEHN CNCc1cnn(Cc2c(Br)c(C)nn2C)c1C ZINC000089256831 192751205 /nfs/dbraw/zinc/75/12/05/192751205.db2.gz FPAAEEMIUDHNTR-UHFFFAOYSA-N 0 3 312.215 1.764 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccsc2)CCO1 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COc1ccc([C@@H]([C@H](C)N)N(C)CCS(C)(=O)=O)cc1 ZINC000094297399 193356526 /nfs/dbraw/zinc/35/65/26/193356526.db2.gz DNKJARJJXCZKSO-SMDDNHRTSA-N 0 3 300.424 1.060 10 0 DDAEHN CC1(C)CC[C@@H](S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H]1N ZINC000094311226 193358277 /nfs/dbraw/zinc/35/82/77/193358277.db2.gz FHPYJTYILFGIHZ-KGLIPLIRSA-N 0 3 311.403 1.747 10 0 DDAEHN CCCN[C@H](c1nc[nH]n1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642690 193389249 /nfs/dbraw/zinc/38/92/49/193389249.db2.gz WTQLYBBIACYLPJ-SRVKXCTJSA-N 0 3 300.428 1.449 10 0 DDAEHN CCCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[NH2+][C@@H]2C)nc1C ZINC000094665866 193390275 /nfs/dbraw/zinc/39/02/75/193390275.db2.gz LPXKQYNURGQOFP-DMDPSCGWSA-N 0 3 314.455 1.409 10 0 DDAEHN COCCN(C[C@@H]1C(=O)C(C)(C)OC1(C)C)[C@@H](C)COC ZINC000094429171 193369026 /nfs/dbraw/zinc/36/90/26/193369026.db2.gz ZBZDQOHRDHNQIH-QWHCGFSZSA-N 0 3 301.427 1.742 10 0 DDAEHN Cc1c(N)cccc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000094457282 193371065 /nfs/dbraw/zinc/37/10/65/193371065.db2.gz 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O=S1(=O)CC[C@H](NC2=N[C@@H](Cc3ccccc3)CS2)C1 ZINC000063220201 184279603 /nfs/dbraw/zinc/27/96/03/184279603.db2.gz BRRHDUJSDPZSPJ-STQMWFEESA-N 0 3 310.444 1.477 10 0 DDAEHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2N)C1 ZINC000062975668 184263885 /nfs/dbraw/zinc/26/38/85/184263885.db2.gz SATZLNDBFSJPSG-LBPRGKRZSA-N 0 3 315.414 1.513 10 0 DDAEHN CCCCNCC(=O)Nc1ccc(C(=O)NCCCOC)cc1 ZINC000066213925 184397179 /nfs/dbraw/zinc/39/71/79/184397179.db2.gz VWFCERNGNFINSD-UHFFFAOYSA-N 0 3 321.421 1.781 10 0 DDAEHN CN[C@](Cn1nc(C)c(Br)c1C)(C(N)=O)C1CC1 ZINC000069193817 184503867 /nfs/dbraw/zinc/50/38/67/184503867.db2.gz HTAPQRUTJJUQJY-LBPRGKRZSA-N 0 3 315.215 1.116 10 0 DDAEHN CCn1c(CN2CCO[C@@H](CN(C)C)C2)nc2c1cccc2F ZINC000155333751 197045220 /nfs/dbraw/zinc/04/52/20/197045220.db2.gz WJPZNIJOPRAWQH-ZDUSSCGKSA-N 0 3 320.412 1.958 10 0 DDAEHN COCCOc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000120587537 195196951 /nfs/dbraw/zinc/19/69/51/195196951.db2.gz MWTRSFFNBGTAFS-JKSUJKDBSA-N 0 3 322.449 1.599 10 0 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GPVHUBNLVDUMQF-UHFFFAOYSA-N 0 3 306.362 1.239 10 0 DDAEHN CCO[C@@H]1C[C@H](NCc2cccc(C(N)=O)c2)C12CCOCC2 ZINC000186224723 407612896 /nfs/dbraw/zinc/61/28/96/407612896.db2.gz JMTSGUMRXAUZDD-JKSUJKDBSA-N 0 3 318.417 1.849 10 0 DDAEHN Cn1c(CN2CCNC[C@H]2c2cccc(F)c2)nnc1C1CC1 ZINC000261787702 407615675 /nfs/dbraw/zinc/61/56/75/407615675.db2.gz PVVNBCCKORNGRB-HNNXBMFYSA-N 0 3 315.396 1.978 10 0 DDAEHN COCCOc1cc(NC(=O)C2(N)CCOCC2)ccc1OC ZINC000261786998 407615718 /nfs/dbraw/zinc/61/57/18/407615718.db2.gz HVQJQEMQTKQMQM-UHFFFAOYSA-N 0 3 324.377 1.167 10 0 DDAEHN Cc1cnn(Cc2cc(C(=O)N3CCN4CCC[C@H]4C3)no2)c1 ZINC000178886526 407638732 /nfs/dbraw/zinc/63/87/32/407638732.db2.gz BQMOQKODDREJFP-ZDUSSCGKSA-N 0 3 315.377 1.148 10 0 DDAEHN NC1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CCOCC1 ZINC000261921274 407671108 /nfs/dbraw/zinc/67/11/08/407671108.db2.gz VBTABUWIMSAHOO-CQSZACIVSA-N 0 3 308.353 1.234 10 0 DDAEHN C[C@@H]1CN(C(=O)C2(N)CCOCC2)C[C@@H](c2ccccc2)O1 ZINC000261934958 407678227 /nfs/dbraw/zinc/67/82/27/407678227.db2.gz WSEYRNCQBYNORX-HIFRSBDPSA-N 0 3 304.390 1.483 10 0 DDAEHN CCS[C@@H](C)c1noc(CN2CCO[C@H](CN(C)C)C2)n1 ZINC000130367779 407679580 /nfs/dbraw/zinc/67/95/80/407679580.db2.gz WEOROIBCHFSWQU-NWDGAFQWSA-N 0 3 314.455 1.646 10 0 DDAEHN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261951774 407687412 /nfs/dbraw/zinc/68/74/12/407687412.db2.gz KDKZSFXYJSMUJU-BFHYXJOUSA-N 0 3 300.468 1.873 10 0 DDAEHN O[C@@H](COCc1ccccc1)CN1CCC[C@H](n2cncn2)C1 ZINC000171625503 407723570 /nfs/dbraw/zinc/72/35/70/407723570.db2.gz NVVAZVHAOOYREX-DLBZAZTESA-N 0 3 316.405 1.493 10 0 DDAEHN CCN1CCCC[C@H]1CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116431833 407753929 /nfs/dbraw/zinc/75/39/29/407753929.db2.gz GNJNAZJTTFSCPZ-HOCLYGCPSA-N 0 3 319.453 1.793 10 0 DDAEHN Cc1ccc(O[C@H](C)C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000116784758 407775529 /nfs/dbraw/zinc/77/55/29/407775529.db2.gz IEVZZYJAPYDIHE-GDBMZVCRSA-N 0 3 306.406 1.551 10 0 DDAEHN Cc1ccc(OCC(=O)N2CCO[C@H](CN(C)C)C2)cc1C ZINC000116796441 407779489 /nfs/dbraw/zinc/77/94/89/407779489.db2.gz LHFZOZWOUHQUBU-MRXNPFEDSA-N 0 3 306.406 1.471 10 0 DDAEHN Cc1cccc(O[C@@H](C)C(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000116792547 407779755 /nfs/dbraw/zinc/77/97/55/407779755.db2.gz YRYCIVZRGXCYBA-GOEBONIOSA-N 0 3 306.406 1.551 10 0 DDAEHN COC[C@H](N)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000262338855 407803451 /nfs/dbraw/zinc/80/34/51/407803451.db2.gz SNYRLQUAROXOIG-AWEZNQCLSA-N 0 3 313.829 1.204 10 0 DDAEHN C[C@H](O)C1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000262527208 407855795 /nfs/dbraw/zinc/85/57/95/407855795.db2.gz PAPHPMOQYHOGSW-ZCTGUTNYSA-N 0 3 310.438 1.138 10 0 DDAEHN COCCc1nc(C)c([C@H](C)NC[C@@H]2CN(C)CCO2)s1 ZINC000180501736 407894760 /nfs/dbraw/zinc/89/47/60/407894760.db2.gz SMPYHWWNCANKKU-WCQYABFASA-N 0 3 313.467 1.622 10 0 DDAEHN C[C@H]1CC[C@@H](C(=O)N2CCC(CN3CCN(C)CC3)CC2)O1 ZINC000153811317 407908070 /nfs/dbraw/zinc/90/80/70/407908070.db2.gz OPJQRSUHXFQBOG-HOCLYGCPSA-N 0 3 309.454 1.040 10 0 DDAEHN COCc1cccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c1 ZINC000118800968 407946336 /nfs/dbraw/zinc/94/63/36/407946336.db2.gz RBJPPGAZRKYUFB-OAHLLOKOSA-N 0 3 307.394 1.627 10 0 DDAEHN COC[C@@H](C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188169333 407921795 /nfs/dbraw/zinc/92/17/95/407921795.db2.gz UTWGSMQVGGTCCC-CRAIPNDOSA-N 0 3 320.433 1.364 10 0 DDAEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000262799756 407937243 /nfs/dbraw/zinc/93/72/43/407937243.db2.gz VCKWCKXHQPUQOU-PRHODGIISA-N 0 3 306.790 1.898 10 0 DDAEHN CN1CCNC[C@H]1c1noc(CCOc2ccccc2F)n1 ZINC000263180835 408048489 /nfs/dbraw/zinc/04/84/89/408048489.db2.gz GSBVLMGPSXBHOX-LBPRGKRZSA-N 0 3 306.341 1.406 10 0 DDAEHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000262977103 407990606 /nfs/dbraw/zinc/99/06/06/407990606.db2.gz MKAGRFKXCKLBLN-KBPBESRZSA-N 0 3 309.360 1.374 10 0 DDAEHN CC(C)COC(=O)CN(C)C1CCN(CCn2cccn2)CC1 ZINC000181451748 407998000 /nfs/dbraw/zinc/99/80/00/407998000.db2.gz SQVLLKDBJYDQDZ-UHFFFAOYSA-N 0 3 322.453 1.479 10 0 DDAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1 ZINC000174971998 408016315 /nfs/dbraw/zinc/01/63/15/408016315.db2.gz OPLIVDPRLPFYPX-HUUCEWRRSA-N 0 3 301.390 1.710 10 0 DDAEHN C[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)C[C@H]1N1CCOCC1 ZINC000245735315 408058569 /nfs/dbraw/zinc/05/85/69/408058569.db2.gz KPFCZDXSNYGFLL-DZGCQCFKSA-N 0 3 306.454 1.860 10 0 DDAEHN COc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OC ZINC000245796762 408070387 /nfs/dbraw/zinc/07/03/87/408070387.db2.gz XCWLJEPBFNQYJI-GDBMZVCRSA-N 0 3 320.433 1.856 10 0 DDAEHN CN1CCNC[C@@H]1c1noc(COc2cccc(Cl)c2)n1 ZINC000263267862 408081391 /nfs/dbraw/zinc/08/13/91/408081391.db2.gz RUGALYZGXIOYGS-GFCCVEGCSA-N 0 3 308.769 1.878 10 0 DDAEHN CC(=O)Nc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1 ZINC000263269616 408084292 /nfs/dbraw/zinc/08/42/92/408084292.db2.gz RZZILVYGHLUYTJ-ZDUSSCGKSA-N 0 3 301.350 1.271 10 0 DDAEHN CCOc1c(F)cccc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263281140 408087749 /nfs/dbraw/zinc/08/77/49/408087749.db2.gz UGYOSCXVPOCDBS-LBPRGKRZSA-N 0 3 306.341 1.851 10 0 DDAEHN C[C@H](NC(=O)c1ccnc(OCCN(C)C)c1)[C@@H]1CCCO1 ZINC000136402308 408103337 /nfs/dbraw/zinc/10/33/37/408103337.db2.gz AQCKYCNGYGVDBO-JSGCOSHPSA-N 0 3 307.394 1.319 10 0 DDAEHN C[C@@H]1Cc2ccccc2N1CCNC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246040371 408126340 /nfs/dbraw/zinc/12/63/40/408126340.db2.gz XRZNKCXNTQVVCH-GDBMZVCRSA-N 0 3 316.449 1.783 10 0 DDAEHN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000175420245 408127009 /nfs/dbraw/zinc/12/70/09/408127009.db2.gz OMUMZLZEPNIHKW-LBPRGKRZSA-N 0 3 313.442 1.890 10 0 DDAEHN Cn1cc(CN2CCCN(Cc3ccc(CO)cc3)CC2)cn1 ZINC000182754472 408239334 /nfs/dbraw/zinc/23/93/34/408239334.db2.gz KLBVIQPUTAYZQP-UHFFFAOYSA-N 0 3 314.433 1.620 10 0 DDAEHN CCN1CCCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000246269790 408198585 /nfs/dbraw/zinc/19/85/85/408198585.db2.gz RUTYZTXGXIYVME-CVEARBPZSA-N 0 3 303.406 1.936 10 0 DDAEHN CN(C)C[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)c1ccccc1 ZINC000175804573 408211469 /nfs/dbraw/zinc/21/14/69/408211469.db2.gz WIQBTRJNIQLMTA-CQSZACIVSA-N 0 3 300.362 1.146 10 0 DDAEHN CN(C)C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccccc1 ZINC000182682353 408221489 /nfs/dbraw/zinc/22/14/89/408221489.db2.gz SWHUPUZJRXQURJ-OAHLLOKOSA-N 0 3 324.388 1.396 10 0 DDAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000190341336 408222768 /nfs/dbraw/zinc/22/27/68/408222768.db2.gz AHVHYTNGJGMYSN-LSDHHAIUSA-N 0 3 319.380 1.849 10 0 DDAEHN O[C@@H](COC1CCOCC1)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000246535231 408286045 /nfs/dbraw/zinc/28/60/45/408286045.db2.gz GFRNKWZAJGTPAN-RHSMWYFYSA-N 0 3 322.405 1.091 10 0 DDAEHN O=C1[C@H](N2CCN3CCC[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000176111038 408288243 /nfs/dbraw/zinc/28/82/43/408288243.db2.gz GCKWUVSXEUROAF-IUODEOHRSA-N 0 3 321.371 1.850 10 0 DDAEHN CCOCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190604054 408288864 /nfs/dbraw/zinc/28/88/64/408288864.db2.gz PGDBYYZVLSVFCI-MRXNPFEDSA-N 0 3 305.422 1.789 10 0 DDAEHN CCOCCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190690420 408304084 /nfs/dbraw/zinc/30/40/84/408304084.db2.gz NHDFUENKOTZQPF-MRXNPFEDSA-N 0 3 320.437 1.581 10 0 DDAEHN COCc1ccccc1CNC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183125608 408334453 /nfs/dbraw/zinc/33/44/53/408334453.db2.gz RKODJDGQUDDVKE-XJKSGUPXSA-N 0 3 306.406 1.606 10 0 DDAEHN CC(C)N1C[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](C)C1 ZINC000158643699 408352540 /nfs/dbraw/zinc/35/25/40/408352540.db2.gz JWHCIEBGBLQCFI-ONGXEEELSA-N 0 3 316.327 1.954 10 0 DDAEHN CC[C@@H]1CN(C[C@H](O)COCC(C)C)CCN1CCOC ZINC000171624424 162229302 /nfs/dbraw/zinc/22/93/02/162229302.db2.gz HNBWGMRVJVEUCU-CVEARBPZSA-N 0 3 302.459 1.063 10 0 DDAEHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)N1CCCCCC1 ZINC000246878523 408358536 /nfs/dbraw/zinc/35/85/36/408358536.db2.gz GKMWVRUCXGKPDK-IXDOHACOSA-N 0 3 323.481 1.430 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000246953029 408372716 /nfs/dbraw/zinc/37/27/16/408372716.db2.gz DEWOYOZDNLGSGL-DHZVRSILSA-N 0 3 320.458 1.874 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000246953053 408373706 /nfs/dbraw/zinc/37/37/06/408373706.db2.gz DEWOYOZDNLGSGL-JFUMZLFPSA-N 0 3 320.458 1.874 10 0 DDAEHN COc1ccc([C@@H](CO)N(C)C[C@H](O)COC(C)(C)C)cc1 ZINC000246951932 408374097 /nfs/dbraw/zinc/37/40/97/408374097.db2.gz DDFYRGFOSZSPGY-GOEBONIOSA-N 0 3 311.422 1.836 10 0 DDAEHN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCN(C)C ZINC000176812596 408449891 /nfs/dbraw/zinc/44/98/91/408449891.db2.gz VFPYXBYHTFSDGQ-GOEBONIOSA-N 0 3 319.449 1.851 10 0 DDAEHN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCN(C)C ZINC000176812572 408450452 /nfs/dbraw/zinc/45/04/52/408450452.db2.gz VFPYXBYHTFSDGQ-GDBMZVCRSA-N 0 3 319.449 1.851 10 0 DDAEHN CS[C@@H]1CCC[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247178225 408424357 /nfs/dbraw/zinc/42/43/57/408424357.db2.gz RODXTZBBYWKCFI-MELADBBJSA-N 0 3 315.483 1.633 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(C)c1-n1cccc1 ZINC000247491459 408481800 /nfs/dbraw/zinc/48/18/00/408481800.db2.gz 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/nfs/dbraw/zinc/65/84/61/408658461.db2.gz WOULBQQFYRJXOO-CABCVRRESA-N 0 3 306.454 1.425 10 0 DDAEHN COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000249252708 408706477 /nfs/dbraw/zinc/70/64/77/408706477.db2.gz YAFQHPKTYYZECA-JSGCOSHPSA-N 0 3 317.389 1.329 10 0 DDAEHN C[C@H]1CN(CCN2CC[C@@H](CNc3ccccn3)C2)CCO1 ZINC000249082396 408685958 /nfs/dbraw/zinc/68/59/58/408685958.db2.gz SQKUGVIIEHUUMI-HOTGVXAUSA-N 0 3 304.438 1.536 10 0 DDAEHN Cc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000249156764 408698976 /nfs/dbraw/zinc/69/89/76/408698976.db2.gz ILMGYOQAIISDQD-OCCSQVGLSA-N 0 3 319.380 1.768 10 0 DDAEHN Cc1csc(=O)n1CCN1CCC[C@@H]1Cn1ccnc1C ZINC000178295369 408800074 /nfs/dbraw/zinc/80/00/74/408800074.db2.gz LMGPJYJGIZLZJM-CQSZACIVSA-N 0 3 306.435 1.888 10 0 DDAEHN CCn1cnnc1[C@H]1CCCN(C[C@@H](O)COC(C)(C)C)C1 ZINC000249862028 408769735 /nfs/dbraw/zinc/76/97/35/408769735.db2.gz GGYWTDOITVBABM-UONOGXRCSA-N 0 3 310.442 1.653 10 0 DDAEHN CN(CCN1CCC[C@H](OCCO)C1)Cc1ccc(F)cc1 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DDAEHN COCCN1CCC[C@]2(CCN(Cc3cccnc3N)C2)C1=O ZINC000092097006 193156775 /nfs/dbraw/zinc/15/67/75/193156775.db2.gz OTSITONJSFSUKG-QGZVFWFLSA-N 0 3 318.421 1.125 10 0 DDAEHN CNCc1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](C)C2)c(F)c1 ZINC000092116295 193164408 /nfs/dbraw/zinc/16/44/08/193164408.db2.gz ZICPNSIXXOSXMG-QWRGUYRKSA-N 0 3 300.399 1.822 10 0 DDAEHN CN(C)C(=O)[C@H]1CNCCN1C[C@@H]1CSc2ccccc21 ZINC000092290729 193186150 /nfs/dbraw/zinc/18/61/50/193186150.db2.gz UDJQYRHZAFYKMF-TZMCWYRMSA-N 0 3 305.447 1.238 10 0 DDAEHN CS(=O)(=O)[C@@H]1CCC[C@@]12CN=C(N)N2Cc1ccccc1 ZINC000093357272 193236727 /nfs/dbraw/zinc/23/67/27/193236727.db2.gz BKHBIANPZZWCHC-UKRRQHHQSA-N 0 3 307.419 1.153 10 0 DDAEHN C[C@@H](Cc1cccs1)N(C)S(=O)(=O)[C@@H]1CCCNC1 ZINC000093292138 193225455 /nfs/dbraw/zinc/22/54/55/193225455.db2.gz OGUKMQLSJJCIPP-WCQYABFASA-N 0 3 302.465 1.693 10 0 DDAEHN C[C@@H](Cc1cccs1)N(C)S(=O)(=O)c1n[nH]cc1CN ZINC000093294569 193226145 /nfs/dbraw/zinc/22/61/45/193226145.db2.gz IZWXUMYFBAGJOJ-VIFPVBQESA-N 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183113293 /nfs/dbraw/zinc/11/32/93/183113293.db2.gz KHFOFZVFGAOUKO-LBPRGKRZSA-N 0 3 307.419 1.717 10 0 DDAEHN Cc1cc(N)cc(S(=O)(=O)NC[C@@H]2CCN(C(C)C)C2)c1 ZINC000040621169 183109980 /nfs/dbraw/zinc/10/99/80/183109980.db2.gz ARRSMMWJWYMBCJ-ZDUSSCGKSA-N 0 3 311.451 1.586 10 0 DDAEHN NCc1ccccc1S(=O)(=O)NCCc1ccc(O)cc1 ZINC000040736817 183126980 /nfs/dbraw/zinc/12/69/80/183126980.db2.gz CKUUGFNKHVLPGO-UHFFFAOYSA-N 0 3 306.387 1.372 10 0 DDAEHN CCN1CCN(CCCNc2ncnc3ncccc32)CC1 ZINC000041472990 183193578 /nfs/dbraw/zinc/19/35/78/183193578.db2.gz NLPOVKBKMVBKAB-UHFFFAOYSA-N 0 3 300.410 1.464 10 0 DDAEHN O=S(=O)(NC[C@@H]1CCCCO1)c1cccc2c1CCNC2 ZINC000042824960 183312898 /nfs/dbraw/zinc/31/28/98/183312898.db2.gz GSDUPEHNALFVAQ-ZDUSSCGKSA-N 0 3 310.419 1.180 10 0 DDAEHN Cn1nnnc1S[C@@H](CN)c1cc(Br)cs1 ZINC000043290266 183351534 /nfs/dbraw/zinc/35/15/34/183351534.db2.gz NPWOEHBFRNRHKD-ZETCQYMHSA-N 0 3 320.241 1.826 10 0 DDAEHN COc1ccc(F)cc1CC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000284790370 218179838 /nfs/dbraw/zinc/17/98/38/218179838.db2.gz ZAMVZBJVAUPNGV-GJZGRUSLSA-N 0 3 324.396 1.554 10 0 DDAEHN CC[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)CCN1CCOC ZINC000105836650 194143095 /nfs/dbraw/zinc/14/30/95/194143095.db2.gz UVUCTFXJDDUZQN-SJORKVTESA-N 0 3 310.413 1.902 10 0 DDAEHN Cc1csc(=O)n1CCN1CCC(Cn2cccn2)CC1 ZINC000105886395 194156795 /nfs/dbraw/zinc/15/67/95/194156795.db2.gz JAVUBSNWUZIHBP-UHFFFAOYSA-N 0 3 306.435 1.827 10 0 DDAEHN CCOCCNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109393301 194261726 /nfs/dbraw/zinc/26/17/26/194261726.db2.gz IFDWFWNYXAHUDG-UHFFFAOYSA-N 0 3 323.441 1.025 10 0 DDAEHN CC[C@@H](C(N)=S)N1CCN(Cc2cccc(OC)c2)CC1 ZINC000109469595 194267014 /nfs/dbraw/zinc/26/70/14/194267014.db2.gz MKOWPMWBXHTPGE-HNNXBMFYSA-N 0 3 307.463 1.878 10 0 DDAEHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1[C@@H](C)N ZINC000052066421 183848963 /nfs/dbraw/zinc/84/89/63/183848963.db2.gz RRWGQXJVHNOCBO-HTQZYQBOSA-N 0 3 301.184 1.982 10 0 DDAEHN NC(=S)c1ccc(CC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000110615206 194342827 /nfs/dbraw/zinc/34/28/27/194342827.db2.gz NCTIPGYFKJOVFK-ZDUSSCGKSA-N 0 3 303.431 1.216 10 0 DDAEHN CC[C@@H]1CN(S(=O)(=O)c2cccc([C@@H](C)N)c2)CCN1C ZINC000110763481 194356809 /nfs/dbraw/zinc/35/68/09/194356809.db2.gz IZTMCHSILAWMPX-TZMCWYRMSA-N 0 3 311.451 1.421 10 0 DDAEHN CCN([C@@H]1CCCNC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000110941640 194371689 /nfs/dbraw/zinc/37/16/89/194371689.db2.gz KDPKONXHLNHIGX-CYBMUJFWSA-N 0 3 312.435 1.766 10 0 DDAEHN CN(C)CCN1CCN(C(=O)c2c(N)cccc2Cl)CC1 ZINC000111012682 194382853 /nfs/dbraw/zinc/38/28/53/194382853.db2.gz PPKVLIDCWAPYHM-UHFFFAOYSA-N 0 3 310.829 1.242 10 0 DDAEHN CCCCN(C(=O)C(C)(C)NCC)[C@H]1CCS(=O)(=O)C1 ZINC000061294519 184167906 /nfs/dbraw/zinc/16/79/06/184167906.db2.gz IQUFZJPVJDRKCE-LBPRGKRZSA-N 0 3 304.456 1.190 10 0 DDAEHN Cc1cnc(CNS(=O)(=O)c2cccc([C@H](C)N)c2)cn1 ZINC000061323082 184168208 /nfs/dbraw/zinc/16/82/08/184168208.db2.gz IVAVYYUMOVAAIZ-NSHDSACASA-N 0 3 306.391 1.283 10 0 DDAEHN C[C@H]1CN(S(=O)(=O)c2cccc3c2CCNC3)CCCO1 ZINC000061933451 184196603 /nfs/dbraw/zinc/19/66/03/184196603.db2.gz TVRLEKNQUBIFQA-LBPRGKRZSA-N 0 3 310.419 1.132 10 0 DDAEHN C[C@H](CNS(=O)(=O)c1ccnc(Cl)c1)CN1CCCC1 ZINC000062075758 184204281 /nfs/dbraw/zinc/20/42/81/184204281.db2.gz SZCQDLDHPWCJGX-LLVKDONJSA-N 0 3 317.842 1.745 10 0 DDAEHN CN(Cc1nccn1C)[C@@H](CN)c1ccc(Br)o1 ZINC000062249849 184225629 /nfs/dbraw/zinc/22/56/29/184225629.db2.gz ABTKBNPBHOEFER-VIFPVBQESA-N 0 3 313.199 1.907 10 0 DDAEHN CC[C@H](Oc1ccc(Cl)cc1CNCCOC)C(N)=O ZINC000062731092 184251299 /nfs/dbraw/zinc/25/12/99/184251299.db2.gz STLGRWOHLTTYTH-LBPRGKRZSA-N 0 3 300.786 1.719 10 0 DDAEHN CCN[C@H](C)c1ccc(F)cc1O[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000062746933 184251762 /nfs/dbraw/zinc/25/17/62/184251762.db2.gz GQPLQDKFMJITGS-LJWDBELGSA-N 0 3 317.382 1.033 10 0 DDAEHN C[NH2+]CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000062666465 184247057 /nfs/dbraw/zinc/24/70/57/184247057.db2.gz AGYIXLYFBSUCJV-UHFFFAOYSA-N 0 3 300.277 1.806 10 0 DDAEHN C[C@H](N)C(=O)NCc1ccc(OCCOc2ccccc2)nc1 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CCOC(=O)[C@@H](C)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248663034 282097568 /nfs/dbraw/zinc/09/75/68/282097568.db2.gz ZDXUTGKGKITRRR-ZBFHGGJFSA-N 0 3 305.422 1.787 10 0 DDAEHN Cc1nc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)sc1C ZINC000248682910 282099543 /nfs/dbraw/zinc/09/95/43/282099543.db2.gz QIGHDUOPGQNOJZ-SKDRFNHKSA-N 0 3 324.450 1.543 10 0 DDAEHN CN[C@H]1c2ccccc2OC[C@H]1Sc1nnnn1C1CC1 ZINC000081867610 192332790 /nfs/dbraw/zinc/33/27/90/192332790.db2.gz BIQCLXATLLEWNZ-OLZOCXBDSA-N 0 3 303.391 1.822 10 0 DDAEHN CCCn1c(=O)[nH]nc1S[C@H]1COc2ccccc2[C@H]1N ZINC000081879168 192333249 /nfs/dbraw/zinc/33/32/49/192333249.db2.gz HUPAHKSFBFCARP-NWDGAFQWSA-N 0 3 306.391 1.535 10 0 DDAEHN C[C@H](CS(C)(=O)=O)Nc1ccc(OCCN(C)C)cc1 ZINC000081900587 192335761 /nfs/dbraw/zinc/33/57/61/192335761.db2.gz PGJVAQVPKMTSSB-GFCCVEGCSA-N 0 3 300.424 1.472 10 0 DDAEHN CCCC[C@H](CC)COC[C@H](O)CN[C@@H](C)CS(C)(=O)=O ZINC000081903074 192336702 /nfs/dbraw/zinc/33/67/02/192336702.db2.gz CQUSDQULNIOKDN-SOUVJXGZSA-N 0 3 323.499 1.603 10 0 DDAEHN N[C@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1Br ZINC000081931531 192341643 /nfs/dbraw/zinc/34/16/43/192341643.db2.gz NZTHBJYQUPUICR-ONGXEEELSA-N 0 3 320.208 1.339 10 0 DDAEHN C[C@@](N)(CCCSc1ccc(Br)cn1)C(N)=O ZINC000079447615 185172003 /nfs/dbraw/zinc/17/20/03/185172003.db2.gz UYXLHIVADMDAAO-LLVKDONJSA-N 0 3 318.240 1.919 10 0 DDAEHN CC(=O)Nc1ccc(S(=O)(=O)[N-][C@H](C[NH3+])C(C)C)c(F)c1 ZINC000087405009 185224043 /nfs/dbraw/zinc/22/40/43/185224043.db2.gz QNVGYXYTIOZETH-GFCCVEGCSA-N 0 3 317.386 1.046 10 0 DDAEHN CCC[C@@H](CN)C(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000087521860 185227780 /nfs/dbraw/zinc/22/77/80/185227780.db2.gz NSPIEWRIAWKYBP-VIFPVBQESA-N 0 3 320.361 1.996 10 0 DDAEHN C[C@@H](CN)S(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000088068835 185238746 /nfs/dbraw/zinc/23/87/46/185238746.db2.gz UXPBGDUYSAXPEM-ZETCQYMHSA-N 0 3 310.188 1.850 10 0 DDAEHN N[C@@H]1COC[C@@H]1C(=O)Nc1c(F)cc(F)cc1Br ZINC000090379219 185293624 /nfs/dbraw/zinc/29/36/24/185293624.db2.gz 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/nfs/dbraw/zinc/67/84/63/290678463.db2.gz RLLCVPINDIQKLF-HOTGVXAUSA-N 0 3 322.453 1.458 10 0 DDAEHN COc1ccc2c(c1)[C@H](N)[C@H](Sc1nnnn1C1CC1)C2 ZINC000092860539 185347291 /nfs/dbraw/zinc/34/72/91/185347291.db2.gz HWKVUPZJJDAFPO-OLZOCXBDSA-N 0 3 303.391 1.733 10 0 DDAEHN COC(=O)c1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCCO1 ZINC000183099475 199536974 /nfs/dbraw/zinc/53/69/74/199536974.db2.gz DDIUMASTHRLDLG-RISCZKNCSA-N 0 3 306.362 1.569 10 0 DDAEHN COc1cccc(CNC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)c1 ZINC000183134506 199543211 /nfs/dbraw/zinc/54/32/11/199543211.db2.gz NSPIOZBTMTUPDR-DVOMOZLQSA-N 0 3 306.406 1.857 10 0 DDAEHN CC(C)(C)OC(=O)NCCN1CCNC[C@@H]1c1cccnc1N ZINC000616636226 362764368 /nfs/dbraw/zinc/76/43/68/362764368.db2.gz MGPPCOBQHOFQFV-CYBMUJFWSA-N 0 3 321.425 1.135 10 0 DDAEHN CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CNCCN1CCO ZINC000616635222 362764672 /nfs/dbraw/zinc/76/46/72/362764672.db2.gz AFKUHMQARVTRHO-HNNXBMFYSA-N 0 3 321.421 1.972 10 0 DDAEHN CCN(CC)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1N ZINC000070446213 190893746 /nfs/dbraw/zinc/89/37/46/190893746.db2.gz UPLYMFLBHAFDQB-SNVBAGLBSA-N 0 3 303.403 1.417 10 0 DDAEHN N[C@@H](Cc1ccc(I)cc1)c1nc[nH]n1 ZINC000083850983 192386099 /nfs/dbraw/zinc/38/60/99/192386099.db2.gz YEWMYFKSYRENBS-VIFPVBQESA-N 0 3 314.130 1.652 10 0 DDAEHN N[C@@H](Cc1ccc(I)cc1)c1nnc[nH]1 ZINC000083850983 192386102 /nfs/dbraw/zinc/38/61/02/192386102.db2.gz YEWMYFKSYRENBS-VIFPVBQESA-N 0 3 314.130 1.652 10 0 DDAEHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000175695188 186188924 /nfs/dbraw/zinc/18/89/24/186188924.db2.gz MQTNFELPPPCXGB-DZGCQCFKSA-N 0 3 324.396 1.772 10 0 DDAEHN C[C@H](C(=O)NCc1ccccc1F)N1CCN2CCC[C@@H]2C1 ZINC000172210874 198058585 /nfs/dbraw/zinc/05/85/85/198058585.db2.gz RDFPUOVIHUMWEF-UKRRQHHQSA-N 0 3 305.397 1.610 10 0 DDAEHN Cc1ccc(C[C@H](C)NC(=O)C(C)(C)N2CCNCC2)s1 ZINC000129763184 354085854 /nfs/dbraw/zinc/08/58/54/354085854.db2.gz OJUDYVSYRULVCV-LBPRGKRZSA-N 0 3 309.479 1.788 10 0 DDAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000248718522 354370506 /nfs/dbraw/zinc/37/05/06/354370506.db2.gz DAJMYSJRGGTUSG-ZYHUDNBSSA-N 0 3 324.812 1.518 10 0 DDAEHN Cc1ccc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)o1 ZINC000328641857 354557052 /nfs/dbraw/zinc/55/70/52/354557052.db2.gz YDBZGZXTNQQQQR-BLLLJJGKSA-N 0 3 302.378 1.631 10 0 DDAEHN CN(CC1CC1)C[C@H]1CN(C(=O)c2ccc(F)cn2)CCO1 ZINC000328649791 354558971 /nfs/dbraw/zinc/55/89/71/354558971.db2.gz VCTKOJNADGJLLC-AWEZNQCLSA-N 0 3 307.369 1.404 10 0 DDAEHN CCC[C@H](N)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)OC ZINC000236874208 202046471 /nfs/dbraw/zinc/04/64/71/202046471.db2.gz DNCFXQUXXBRLKH-GJZGRUSLSA-N 0 3 306.406 1.570 10 0 DDAEHN CCC[C@H](N)C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1 ZINC000236937658 202079958 /nfs/dbraw/zinc/07/99/58/202079958.db2.gz UJCHQOCXVGZKBT-NSHDSACASA-N 0 3 314.769 1.958 10 0 DDAEHN CN[C@H](CCO)CS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085923698 192539449 /nfs/dbraw/zinc/53/94/49/192539449.db2.gz CQJRVHKMUQEZFS-SECBINFHSA-N 0 3 312.218 1.738 10 0 DDAEHN CCOc1ccc(S(=O)(=O)N(C)CC(C)C)cc1CN ZINC000088948523 192664258 /nfs/dbraw/zinc/66/42/58/192664258.db2.gz JNVAIKLMRBVSBV-UHFFFAOYSA-N 0 3 300.424 1.821 10 0 DDAEHN Cc1ncc(CNS(=O)(=O)c2cc(CN)ccc2C)s1 ZINC000088999452 192690563 /nfs/dbraw/zinc/69/05/63/192690563.db2.gz SXCQWYCNJNGGPU-UHFFFAOYSA-N 0 3 311.432 1.697 10 0 DDAEHN Cc1nc([C@@H](C)NC[C@H]2CCCN(S(C)(=O)=O)C2)cs1 ZINC000347997487 283324048 /nfs/dbraw/zinc/32/40/48/283324048.db2.gz HLSMGPQWGSZIOE-ZYHUDNBSSA-N 0 3 317.480 1.774 10 0 DDAEHN COc1c(CN2CCC[C@H]2Cn2ccnc2C)c(C)nn1C ZINC000180128686 199119908 /nfs/dbraw/zinc/11/99/08/199119908.db2.gz QASIJOSXWCSHEC-AWEZNQCLSA-N 0 3 303.410 1.907 10 0 DDAEHN CN(C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccsc2)CCO1 ZINC000187069844 200056746 /nfs/dbraw/zinc/05/67/46/200056746.db2.gz URZXMORZLAAICN-GFCCVEGCSA-N 0 3 320.418 1.541 10 0 DDAEHN C[C@@H](O)CN1CCN(CCCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000193247456 201012737 /nfs/dbraw/zinc/01/27/37/201012737.db2.gz 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/nfs/dbraw/zinc/36/90/93/193369093.db2.gz YSNGXUKGGXYHBY-HNNXBMFYSA-N 0 3 308.447 1.810 10 0 DDAEHN Cc1cccc(N)c1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000094457211 193370916 /nfs/dbraw/zinc/37/09/16/193370916.db2.gz ZJPHNZHKJKWVEC-QWHCGFSZSA-N 0 3 309.435 1.434 10 0 DDAEHN CO[C@@H]1CN[C@@H](C(=O)Nc2cc3c(cc2Cl)NC(=O)C3)C1 ZINC000040633043 183112059 /nfs/dbraw/zinc/11/20/59/183112059.db2.gz LEGSWMYMAWZNJR-QPUJVOFHSA-N 0 3 309.753 1.150 10 0 DDAEHN CO[C@@H]1CN[C@H](C(=O)Nc2ncc(Br)s2)C1 ZINC000040633758 183112061 /nfs/dbraw/zinc/11/20/61/183112061.db2.gz YPDOSLOAKUEVKO-WDSKDSINSA-N 0 3 306.185 1.221 10 0 DDAEHN CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@@H](OC)CN2)c1 ZINC000040633309 183112067 /nfs/dbraw/zinc/11/20/67/183112067.db2.gz CWFAFEZTWOWANJ-BXKDBHETSA-N 0 3 311.769 1.015 10 0 DDAEHN Cc1ccc(CN(C2CC2)S(=O)(=O)N2CCNCC2)cc1 ZINC000040860297 183143658 /nfs/dbraw/zinc/14/36/58/183143658.db2.gz VVDHOQQYAGJNGM-UHFFFAOYSA-N 0 3 309.435 1.109 10 0 DDAEHN CC(C)(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 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/nfs/dbraw/zinc/81/63/59/407816359.db2.gz AIYUWVKIQWINNC-OAHLLOKOSA-N 0 3 305.422 1.509 10 0 DDAEHN COc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c(OC)c1 ZINC000180224166 407865568 /nfs/dbraw/zinc/86/55/68/407865568.db2.gz UYFBYGJBCJBFBQ-YOEHRIQHSA-N 0 3 320.433 1.856 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)C1CCC(C(=O)OC)CC1 ZINC000180312453 407875897 /nfs/dbraw/zinc/87/58/97/407875897.db2.gz PEJVHVAJFDDKTJ-YMAMQOFZSA-N 0 3 310.438 1.909 10 0 DDAEHN CC[C@@H]1CCCCN1CCNC(=O)NCCn1cc(C)cn1 ZINC000118077894 407883200 /nfs/dbraw/zinc/88/32/00/407883200.db2.gz VDOZOESXQBHJSS-OAHLLOKOSA-N 0 3 307.442 1.755 10 0 DDAEHN N[C@@H](CCO)c1c(Br)cncc1Br ZINC000238679349 407898811 /nfs/dbraw/zinc/89/88/11/407898811.db2.gz FYHANIQBBAQIPM-ZETCQYMHSA-N 0 3 309.989 1.989 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)Nc2cnc(C(C)(C)C)nc2)CCO1 ZINC000118812715 407946914 /nfs/dbraw/zinc/94/69/14/407946914.db2.gz HFPXLOXJDAGQRT-ZDUSSCGKSA-N 0 3 321.425 1.568 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245436941 407980155 /nfs/dbraw/zinc/98/01/55/407980155.db2.gz WACUUUVGPLIYRY-RRFJBIMHSA-N 0 3 310.438 1.909 10 0 DDAEHN Cc1nc(CCN(C)C)nc(N)c1I ZINC000134805019 407938808 /nfs/dbraw/zinc/93/88/08/407938808.db2.gz YBMARPJYJNLIMT-UHFFFAOYSA-N 0 3 306.151 1.076 10 0 DDAEHN C[C@H]1NCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)[C@@H]1C ZINC000262811562 407942915 /nfs/dbraw/zinc/94/29/15/407942915.db2.gz RFAMHJHAPTYNAR-GHMZBOCLSA-N 0 3 319.430 1.943 10 0 DDAEHN CN1CCNC[C@@H]1c1noc(-c2cnn(-c3ccccc3)c2)n1 ZINC000263146721 408037835 /nfs/dbraw/zinc/03/78/35/408037835.db2.gz CVCUYNSLAXWNRW-CQSZACIVSA-N 0 3 310.361 1.498 10 0 DDAEHN CCc1c(-c2nc([C@@H]3CNCCN3C)no2)cnn1C(C)(C)C ZINC000263147981 408040794 /nfs/dbraw/zinc/04/07/94/408040794.db2.gz CWLGKNBSLMHPLH-ZDUSSCGKSA-N 0 3 318.425 1.827 10 0 DDAEHN CN1CCNC[C@H]1c1noc(C[C@H]2CCc3ccccc3C2)n1 ZINC000263175547 408048143 /nfs/dbraw/zinc/04/81/43/408048143.db2.gz GEZGNMNSZHWUPW-BBRMVZONSA-N 0 3 312.417 1.993 10 0 DDAEHN CN1CCNC[C@@H]1c1noc(-c2cccc(-n3cccn3)c2)n1 ZINC000263188943 408051483 /nfs/dbraw/zinc/05/14/83/408051483.db2.gz HQEFBHBRZPGCMI-CQSZACIVSA-N 0 3 310.361 1.498 10 0 DDAEHN CCN1CCC[C@@H]1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119093813 407994347 /nfs/dbraw/zinc/99/43/47/407994347.db2.gz IIVKHWXMSXLYDX-BFYDXBDKSA-N 0 3 309.454 1.807 10 0 DDAEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccnc1Br ZINC000135368721 408008402 /nfs/dbraw/zinc/00/84/02/408008402.db2.gz UUIKECIECPOLRW-SNVBAGLBSA-N 0 3 312.211 1.868 10 0 DDAEHN C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)CN2)CN1Cc1ccccc1 ZINC000263084317 408020534 /nfs/dbraw/zinc/02/05/34/408020534.db2.gz XTMRIGCKLZASJH-VHDGCEQUSA-N 0 3 323.387 1.763 10 0 DDAEHN CC(=O)N[C@@H](c1nc([C@H]2CNCCN2C)no1)C1CCCC1 ZINC000263199747 408056915 /nfs/dbraw/zinc/05/69/15/408056915.db2.gz IVOKLTGLSPISGV-CHWSQXEVSA-N 0 3 307.398 1.013 10 0 DDAEHN Cc1ccc(C)c(OCc2nc([C@H]3CNCCN3C)no2)c1 ZINC000263269718 408084103 /nfs/dbraw/zinc/08/41/03/408084103.db2.gz SBGUIGQTGGTJGC-CYBMUJFWSA-N 0 3 302.378 1.842 10 0 DDAEHN CCC[C@@H](C(=O)NCc1ccnc(-n2ccnc2)c1)N(C)C ZINC000137288474 408150170 /nfs/dbraw/zinc/15/01/70/408150170.db2.gz FWYHSFIVIVYUMK-AWEZNQCLSA-N 0 3 301.394 1.614 10 0 DDAEHN Cc1c(F)cccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000190081195 408160704 /nfs/dbraw/zinc/16/07/04/408160704.db2.gz XYQBTTDNNLFGNX-WCQYABFASA-N 0 3 319.380 1.768 10 0 DDAEHN COc1ccc(C(=O)CCC(=O)N2CC[C@H](N(C)C)C2)cc1F ZINC000175978925 408257071 /nfs/dbraw/zinc/25/70/71/408257071.db2.gz ZRSILSISZCPBBC-ZDUSSCGKSA-N 0 3 322.380 1.960 10 0 DDAEHN C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151144789 408266706 /nfs/dbraw/zinc/26/67/06/408266706.db2.gz IARNPXXVIJXYRP-DZGCQCFKSA-N 0 3 318.421 1.749 10 0 DDAEHN CN(CCNC(=O)N[C@@H]1CCCC[C@H]1CO)Cc1ccccc1 ZINC000246304146 408211292 /nfs/dbraw/zinc/21/12/92/408211292.db2.gz YWGKWIHZHMCZLZ-DLBZAZTESA-N 0 3 319.449 1.969 10 0 DDAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000190341316 408223467 /nfs/dbraw/zinc/22/34/67/408223467.db2.gz AHVHYTNGJGMYSN-HUUCEWRRSA-N 0 3 319.380 1.849 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccc(CO)c(F)c1 ZINC000176295707 408335104 /nfs/dbraw/zinc/33/51/04/408335104.db2.gz WKNHHKGUYSSADL-HNNXBMFYSA-N 0 3 323.412 1.944 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CC(=O)OC)n1 ZINC000176359017 408347468 /nfs/dbraw/zinc/34/74/68/408347468.db2.gz NYSGLCPTXXOICR-GFCCVEGCSA-N 0 3 323.397 1.004 10 0 DDAEHN COc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000246836705 408351850 /nfs/dbraw/zinc/35/18/50/408351850.db2.gz CWAIFFJGTCDEGL-OLZOCXBDSA-N 0 3 310.419 1.552 10 0 DDAEHN CCC[C@H](N)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000166489420 162167298 /nfs/dbraw/zinc/16/72/98/162167298.db2.gz WNYMLAWFNOKFPF-NSHDSACASA-N 0 3 315.368 1.050 10 0 DDAEHN COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@@H](N(C)C)C1)C2 ZINC000170864103 162195476 /nfs/dbraw/zinc/19/54/76/162195476.db2.gz CGPIJLHMXBMLJH-UONOGXRCSA-N 0 3 304.390 1.409 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 ZINC000170858905 162195714 /nfs/dbraw/zinc/19/57/14/162195714.db2.gz PILXKRZHGCBOHJ-LBPRGKRZSA-N 0 3 320.418 1.893 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)NCc2ccc(Cl)s2)CCO1 ZINC000172123174 162259747 /nfs/dbraw/zinc/25/97/47/162259747.db2.gz AGHMGEGJYNTMCO-JTQLQIEISA-N 0 3 317.842 1.874 10 0 DDAEHN CC[C@@H]1CN(CCOc2ccc(OC)cc2)CCN1C[C@H](C)O ZINC000247175316 408422134 /nfs/dbraw/zinc/42/21/34/408422134.db2.gz NDGPZHGTEANBJO-JKSUJKDBSA-N 0 3 322.449 1.851 10 0 DDAEHN CC[C@@H](Oc1ccccc1C)C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000176739791 408426532 /nfs/dbraw/zinc/42/65/32/408426532.db2.gz WGVOZEIMTYYOHI-HZPDHXFCSA-N 0 3 320.433 1.941 10 0 DDAEHN C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCN2CCC[C@H]2C1 ZINC000247235815 408437165 /nfs/dbraw/zinc/43/71/65/408437165.db2.gz RSDGLBGGBCRWCI-YJBOKZPZSA-N 0 3 313.445 1.740 10 0 DDAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC[C@H](CC(N)=O)C2)C1 ZINC000247530866 408489195 /nfs/dbraw/zinc/48/91/95/408489195.db2.gz ZWFKUTHCBQUELS-MGPQQGTHSA-N 0 3 310.442 1.012 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccc(C(=O)NC)c1 ZINC000177004293 408494167 /nfs/dbraw/zinc/49/41/67/408494167.db2.gz XTCUZCMXKQBVLS-HNNXBMFYSA-N 0 3 303.406 1.603 10 0 DDAEHN C[C@@H](C1CC1)N(C(=O)CN1CCO[C@H](CN(C)C)C1)C1CC1 ZINC000177025495 408499451 /nfs/dbraw/zinc/49/94/51/408499451.db2.gz KNUKANJHWKWPEE-XJKSGUPXSA-N 0 3 309.454 1.038 10 0 DDAEHN CC(C)N1C[C@H](NC(=O)COc2cccc(C=O)c2)[C@@H](C)C1 ZINC000161089408 408559963 /nfs/dbraw/zinc/55/99/63/408559963.db2.gz NZOKNTQEIRVHAM-BBRMVZONSA-N 0 3 304.390 1.723 10 0 DDAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000248458640 408571983 /nfs/dbraw/zinc/57/19/83/408571983.db2.gz QHOCQHFSBRITRQ-JSGCOSHPSA-N 0 3 323.437 1.548 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)NCCC(=O)N1CCCCC1 ZINC000177375501 408591344 /nfs/dbraw/zinc/59/13/44/408591344.db2.gz AEURFDNNXJNRTB-HNNXBMFYSA-N 0 3 324.469 1.515 10 0 DDAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)c1ccccc1OC ZINC000248734015 408626372 /nfs/dbraw/zinc/62/63/72/408626372.db2.gz OBNKKZAYZBOCFL-KGLIPLIRSA-N 0 3 316.401 1.963 10 0 DDAEHN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000177473046 408631512 /nfs/dbraw/zinc/63/15/12/408631512.db2.gz IVWOTXYYWHLMEW-ZDUSSCGKSA-N 0 3 315.377 1.304 10 0 DDAEHN CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000161775895 408636973 /nfs/dbraw/zinc/63/69/73/408636973.db2.gz CNYMWGJVNQHUOO-GFCCVEGCSA-N 0 3 317.389 1.276 10 0 DDAEHN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H](N)CCSC ZINC000161955269 408655942 /nfs/dbraw/zinc/65/59/42/408655942.db2.gz JVNGFYAIQUWPMM-LSDHHAIUSA-N 0 3 310.463 1.957 10 0 DDAEHN COC(=O)Cc1cccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000249571447 408743049 /nfs/dbraw/zinc/74/30/49/408743049.db2.gz OILPMDVAGISDBC-CJNGLKHVSA-N 0 3 316.401 1.711 10 0 DDAEHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000162431505 408701195 /nfs/dbraw/zinc/70/11/95/408701195.db2.gz JZAKJVZWCTZMLW-NOZJJQNGSA-N 0 3 313.423 1.215 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000253274758 408811747 /nfs/dbraw/zinc/81/17/47/408811747.db2.gz HLFFDIFNGMAPPE-INWMFGNUSA-N 0 3 314.389 1.270 10 0 DDAEHN CCCCc1nnc(NC(=O)CN2CCN3CCC[C@@H]3C2)s1 ZINC000177982170 408750818 /nfs/dbraw/zinc/75/08/18/408750818.db2.gz DYAXRLJZIYOZPH-GFCCVEGCSA-N 0 3 323.466 1.599 10 0 DDAEHN COCCCNC(=O)[C@@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000249877456 408769612 /nfs/dbraw/zinc/76/96/12/408769612.db2.gz MHBMTWZYIPSZBH-CABCVRRESA-N 0 3 320.437 1.357 10 0 DDAEHN OC[C@H]1C[C@@H](O)CN1CCOc1ccc(C(F)(F)F)cc1 ZINC000185164822 408773828 /nfs/dbraw/zinc/77/38/28/408773828.db2.gz KAKPFQXYJFLWBZ-VXGBXAGGSA-N 0 3 305.296 1.512 10 0 DDAEHN CCN1CCCC[C@H]1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188847505 163072945 /nfs/dbraw/zinc/07/29/45/163072945.db2.gz UDEGRIIIZLIBNA-HNNXBMFYSA-N 0 3 322.453 1.171 10 0 DDAEHN CCC[C@H](C(=O)N1CCC(c2nnc(CC)[nH]2)CC1)N(C)C ZINC000191520081 163191510 /nfs/dbraw/zinc/19/15/10/163191510.db2.gz ALFITERSNHZBMQ-CYBMUJFWSA-N 0 3 307.442 1.803 10 0 DDAEHN O=C1CCCN1C[C@H](O)CN1CCC(c2ccncc2)CC1 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/nfs/dbraw/zinc/09/95/06/408099506.db2.gz JPEYJTYLJIBQNC-IRXDYDNUSA-N 0 3 317.408 1.925 10 0 DDAEHN Cc1cc(F)cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246085812 408139387 /nfs/dbraw/zinc/13/93/87/408139387.db2.gz ZLZOZKFEKYGJBT-DOMZBBRYSA-N 0 3 321.396 1.918 10 0 DDAEHN CC(C)Cn1ccnc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000175470268 408139806 /nfs/dbraw/zinc/13/98/06/408139806.db2.gz HIKMLILJAIIBPE-CQSZACIVSA-N 0 3 323.441 1.011 10 0 DDAEHN CCn1nccc1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000121213316 408165134 /nfs/dbraw/zinc/16/51/34/408165134.db2.gz OBIDELPLEXQOLY-UHFFFAOYSA-N 0 3 316.453 1.696 10 0 DDAEHN Cc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000150778981 408200629 /nfs/dbraw/zinc/20/06/29/408200629.db2.gz NDNCOWFXLOVKOO-WFASDCNBSA-N 0 3 321.396 1.918 10 0 DDAEHN C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)CN1C1CC1 ZINC000246740052 408330112 /nfs/dbraw/zinc/33/01/12/408330112.db2.gz YLIUJUSTAUTHHH-XPKDYRNWSA-N 0 3 317.437 1.892 10 0 DDAEHN COCCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190651734 408295039 /nfs/dbraw/zinc/29/50/39/408295039.db2.gz QKRZSONWPJZKSE-MRXNPFEDSA-N 0 3 305.422 1.789 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246814547 408348209 /nfs/dbraw/zinc/34/82/09/408348209.db2.gz VFJDUKXJNGWMCP-ZIAGYGMSSA-N 0 3 305.426 1.783 10 0 DDAEHN CCN1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000246814519 408348815 /nfs/dbraw/zinc/34/88/15/408348815.db2.gz VFJDUKXJNGWMCP-KGLIPLIRSA-N 0 3 305.426 1.783 10 0 DDAEHN C[C@H](C(=O)Nc1ncccn1)N1CCC(c2ccn[nH]2)CC1 ZINC000170836354 162195720 /nfs/dbraw/zinc/19/57/20/162195720.db2.gz KQIDFDNODUVBOP-LLVKDONJSA-N 0 3 300.366 1.406 10 0 DDAEHN Cc1nc(C[C@H]2CCCN(C(=O)NC3CCN(C)CC3)C2)no1 ZINC000170882841 162197477 /nfs/dbraw/zinc/19/74/77/162197477.db2.gz SCWNAZKGFNHVKK-CYBMUJFWSA-N 0 3 321.425 1.436 10 0 DDAEHN CN(C(=O)c1cccc2c1OCC(=O)N2)C1CCN(C)CC1 ZINC000170915889 162198443 /nfs/dbraw/zinc/19/84/43/162198443.db2.gz XDRHFLBHAAHIIZ-UHFFFAOYSA-N 0 3 303.362 1.184 10 0 DDAEHN C[C@@H]1CCCN(c2cc(N3CCO[C@H](CN(C)C)C3)ncn2)C1 ZINC000170999898 162201814 /nfs/dbraw/zinc/20/18/14/162201814.db2.gz YGNODQGVYVNSIL-HUUCEWRRSA-N 0 3 319.453 1.480 10 0 DDAEHN COc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000171807530 162242982 /nfs/dbraw/zinc/24/29/82/162242982.db2.gz YVUVACKHVZUTRD-AWEZNQCLSA-N 0 3 319.405 1.693 10 0 DDAEHN O=C(NCCOCc1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000176446336 408369825 /nfs/dbraw/zinc/36/98/25/408369825.db2.gz SJFFBERRDJIXPA-MRXNPFEDSA-N 0 3 303.406 1.693 10 0 DDAEHN CC1CCN(CCNC(=O)N2CCC[C@H](n3cncn3)C2)CC1 ZINC000173845543 162370839 /nfs/dbraw/zinc/37/08/39/162370839.db2.gz UEUJTWMTRVHKOU-HNNXBMFYSA-N 0 3 320.441 1.357 10 0 DDAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000246952944 408372669 /nfs/dbraw/zinc/37/26/69/408372669.db2.gz DETKDYMOJUIUSK-INWMFGNUSA-N 0 3 314.385 1.463 10 0 DDAEHN COc1cccc(OCC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000246962764 408375807 /nfs/dbraw/zinc/37/58/07/408375807.db2.gz FWBOIMIZQYKAQR-CZUORRHYSA-N 0 3 306.406 1.919 10 0 DDAEHN CN(C)[C@@H]1CCN(C(=O)CN(C)C(=O)OCc2ccccc2)C1 ZINC000191222934 408391206 /nfs/dbraw/zinc/39/12/06/408391206.db2.gz SMBLZWSUWJJWML-OAHLLOKOSA-N 0 3 319.405 1.418 10 0 DDAEHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000247138760 408414607 /nfs/dbraw/zinc/41/46/07/408414607.db2.gz JQRBFFOJYWMIFW-AGIUHOORSA-N 0 3 311.426 1.595 10 0 DDAEHN Cc1noc2ncc(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc12 ZINC000247150220 408418541 /nfs/dbraw/zinc/41/85/41/408418541.db2.gz KBBBCRQBNRMLMC-ZWNOBZJWSA-N 0 3 300.362 1.840 10 0 DDAEHN CCNC(=O)NC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCCC1 ZINC000247527120 408486382 /nfs/dbraw/zinc/48/63/82/408486382.db2.gz ZMZSATOQMOKZEW-ZIAGYGMSSA-N 0 3 324.469 1.463 10 0 DDAEHN CCNC(=O)NC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCCC1 ZINC000247527114 408486633 /nfs/dbraw/zinc/48/66/33/408486633.db2.gz ZMZSATOQMOKZEW-KGLIPLIRSA-N 0 3 324.469 1.463 10 0 DDAEHN CCOCCCNC(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247954882 408520437 /nfs/dbraw/zinc/52/04/37/408520437.db2.gz FKHDLYCBEZLXBI-YQQAZPJKSA-N 0 3 312.454 1.545 10 0 DDAEHN CCN1CCN(C(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003140 408525998 /nfs/dbraw/zinc/52/59/98/408525998.db2.gz KPHVFIVATCJMFP-XYJFISCASA-N 0 3 323.481 1.166 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1 ZINC000176900561 408470850 /nfs/dbraw/zinc/47/08/50/408470850.db2.gz VFYCMAFNQKIWIN-AWEZNQCLSA-N 0 3 307.369 1.707 10 0 DDAEHN CCN1CCC[C@H](NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000248623738 408601323 /nfs/dbraw/zinc/60/13/23/408601323.db2.gz NCDATSCXHPJZER-UONOGXRCSA-N 0 3 322.384 1.136 10 0 DDAEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000193536233 408725984 /nfs/dbraw/zinc/72/59/84/408725984.db2.gz DAJMYSJRGGTUSG-JQWIXIFHSA-N 0 3 324.812 1.518 10 0 DDAEHN OC[C@H]1C[C@@H](O)CN1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000184716200 408674525 /nfs/dbraw/zinc/67/45/25/408674525.db2.gz RBDOTRSXAUPESY-CHWSQXEVSA-N 0 3 323.780 1.360 10 0 DDAEHN CCC[C@H](C(=O)NCCc1cccc(C(=O)NC)c1)N(C)C ZINC000162253368 408681575 /nfs/dbraw/zinc/68/15/75/408681575.db2.gz FNQHRPZWMNBEKV-OAHLLOKOSA-N 0 3 305.422 1.435 10 0 DDAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(F)c1 ZINC000249163112 408701502 /nfs/dbraw/zinc/70/15/02/408701502.db2.gz JQPJNFREWPFTLW-FZMZJTMJSA-N 0 3 305.353 1.459 10 0 DDAEHN CC(C)N(C)C(=O)C(C)S(=O)(=O)Cc1nccn1C(C)C ZINC000178165035 408781749 /nfs/dbraw/zinc/78/17/49/408781749.db2.gz DAUHJWYHAGSZAV-GFCCVEGCSA-N 0 3 315.439 1.634 10 0 DDAEHN Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000177971761 408748110 /nfs/dbraw/zinc/74/81/10/408748110.db2.gz PCIZRQYGSKICCF-GFCCVEGCSA-N 0 3 321.808 1.894 10 0 DDAEHN CCN1CCC[C@@H](NC(=O)NCCCNc2ccc(C)cn2)C1 ZINC000194149559 408767711 /nfs/dbraw/zinc/76/77/11/408767711.db2.gz JIBUPHYNCBFYQP-OAHLLOKOSA-N 0 3 319.453 1.976 10 0 DDAEHN CC(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)S(C)(=O)=O ZINC000168964401 408819195 /nfs/dbraw/zinc/81/91/95/408819195.db2.gz JJNUOQFQPQHPPI-MWLCHTKSSA-N 0 3 323.336 1.709 10 0 DDAEHN FC(F)C(F)(F)COCCN1CCC[C@H](Cn2cncn2)C1 ZINC000189319043 163095364 /nfs/dbraw/zinc/09/53/64/163095364.db2.gz DAPNOZSFBVRHQO-NSHDSACASA-N 0 3 324.322 1.907 10 0 DDAEHN CCCCOC[C@H](O)CN1CCC[C@H](c2nncn2CC)C1 ZINC000193376373 163254184 /nfs/dbraw/zinc/25/41/84/163254184.db2.gz DUQZHDSRQVPBAW-LSDHHAIUSA-N 0 3 310.442 1.655 10 0 DDAEHN CCCCOC[C@@H](O)CN1CCC(N(C)c2cccnn2)CC1 ZINC000193378469 163254246 /nfs/dbraw/zinc/25/42/46/163254246.db2.gz AJDIWDPJHXMYDC-INIZCTEOSA-N 0 3 322.453 1.555 10 0 DDAEHN CCc1csc([C@H]2CCCN(CCCC(=O)NC(N)=O)C2)n1 ZINC000195384168 163319959 /nfs/dbraw/zinc/31/99/59/163319959.db2.gz OOANPEQSFCAMBU-NSHDSACASA-N 0 3 324.450 1.860 10 0 DDAEHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000247218098 287002764 /nfs/dbraw/zinc/00/27/64/287002764.db2.gz QHHWVHZUUREMIE-OAGGEKHMSA-N 0 3 311.470 1.428 10 0 DDAEHN C[C@@H]1CC(CNC(=O)N2CCO[C@@H](CN(C)C)C2)C[C@@H](C)O1 ZINC000366998793 418550201 /nfs/dbraw/zinc/55/02/01/418550201.db2.gz SHSDRORRIJIHSC-NFAWXSAZSA-N 0 3 313.442 1.162 10 0 DDAEHN CCN1CC[C@H](NCc2c(Br)c(C)nn2C)C1 ZINC000389550177 418749888 /nfs/dbraw/zinc/74/98/88/418749888.db2.gz OHILJECOJNLPIA-JTQLQIEISA-N 0 3 301.232 1.675 10 0 DDAEHN COc1ccc2c(c1)C[C@H](N[C@H]1CC(=O)N3CCCC[C@@H]13)CO2 ZINC000575603559 422303674 /nfs/dbraw/zinc/30/36/74/422303674.db2.gz VBNDLSHKLSWGIW-BPUTZDHNSA-N 0 3 316.401 1.742 10 0 DDAEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H]1CCCN(C(C)C)C1=O)CC2 ZINC000175010859 278078112 /nfs/dbraw/zinc/07/81/12/278078112.db2.gz KYRKNHPUVHZLFD-ZIAGYGMSSA-N 0 3 319.453 1.705 10 0 DDAEHN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000079495861 278143589 /nfs/dbraw/zinc/14/35/89/278143589.db2.gz QGRUVAROEYAIMB-CABCVRRESA-N 0 3 312.458 1.273 10 0 DDAEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 ZINC000105881893 279033663 /nfs/dbraw/zinc/03/36/63/279033663.db2.gz SYQJHVYLNKEFAF-LLVKDONJSA-N 0 3 307.423 1.882 10 0 DDAEHN CCC[C@H](C(=O)NCCC(=O)NCc1ccccc1)N(C)C ZINC000128129128 281299567 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C[C@H](NC[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 ZINC000037889985 406995044 /nfs/dbraw/zinc/99/50/44/406995044.db2.gz HEIWSMPPDQSMGG-TUKIKUTGSA-N 0 3 313.419 1.281 10 0 DDAEHN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCN(CC)C1CC1 ZINC000087087284 407117347 /nfs/dbraw/zinc/11/73/47/407117347.db2.gz IACMCMGBWLFOEQ-CYBMUJFWSA-N 0 3 320.441 1.459 10 0 DDAEHN CC[C@@H](C)NC(=O)CCNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000079620629 407059363 /nfs/dbraw/zinc/05/93/63/407059363.db2.gz LFXQPRUVOAEITD-ZIAGYGMSSA-N 0 3 314.474 1.567 10 0 DDAEHN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCN1CCCC1 ZINC000053283884 407166741 /nfs/dbraw/zinc/16/67/41/407166741.db2.gz ZGFZJTIGFQDNGC-CYBMUJFWSA-N 0 3 304.394 1.409 10 0 DDAEHN C[C@@H](CN1CCC2(CC1)NC(N(C)C)=NC2=O)c1ccccc1 ZINC000063847419 407236396 /nfs/dbraw/zinc/23/63/96/407236396.db2.gz BYGDAKUAXTWGSY-AWEZNQCLSA-N 0 3 314.433 1.672 10 0 DDAEHN CCN1CCC[C@H](NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000123365509 407327030 /nfs/dbraw/zinc/32/70/30/407327030.db2.gz 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CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1 ZINC000116900802 407794660 /nfs/dbraw/zinc/79/46/60/407794660.db2.gz VORCFUNDGFDIDS-GFCCVEGCSA-N 0 3 318.826 1.291 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)NC[C@H]2CCc3ccccc32)CCO1 ZINC000117048874 407809218 /nfs/dbraw/zinc/80/92/18/407809218.db2.gz QIYYLTGRHUOACU-CVEARBPZSA-N 0 3 317.433 1.688 10 0 DDAEHN COc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(OC)c1 ZINC000180224151 407865239 /nfs/dbraw/zinc/86/52/39/407865239.db2.gz UYFBYGJBCJBFBQ-PBHICJAKSA-N 0 3 320.433 1.856 10 0 DDAEHN COc1ccc2c(c1)[C@H](NC[C@@H]1CN(C)CCO1)CCCO2 ZINC000180499521 407894328 /nfs/dbraw/zinc/89/43/28/407894328.db2.gz IAIYFJYAVYXBML-GDBMZVCRSA-N 0 3 306.406 1.829 10 0 DDAEHN CCc1cc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)ccc1C ZINC000180615679 407904017 /nfs/dbraw/zinc/90/40/17/407904017.db2.gz FEUQFQXFJCEALE-INIZCTEOSA-N 0 3 315.417 1.803 10 0 DDAEHN COC[C@@H](C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188169382 407922812 /nfs/dbraw/zinc/92/28/12/407922812.db2.gz UTWGSMQVGGTCCC-QAPCUYQASA-N 0 3 320.433 1.364 10 0 DDAEHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263097193 408023874 /nfs/dbraw/zinc/02/38/74/408023874.db2.gz YYXWEKVNRKUHTE-VHDGCEQUSA-N 0 3 323.387 1.935 10 0 DDAEHN C[C@H]1CN2CCC[C@H]2CN1Cc1cnc(N2CCOCC2)s1 ZINC000245751174 408060029 /nfs/dbraw/zinc/06/00/29/408060029.db2.gz NUINWPKPJQJGSA-KBPBESRZSA-N 0 3 322.478 1.648 10 0 DDAEHN CN1CCNC[C@@H]1c1noc(-c2cc(-c3ccccn3)no2)n1 ZINC000263223637 408065722 /nfs/dbraw/zinc/06/57/22/408065722.db2.gz MKIDLOCTUWUMLG-GFCCVEGCSA-N 0 3 312.333 1.363 10 0 DDAEHN CN1CCNC[C@H]1c1noc(/C=C/c2cnc3ccccc3n2)n1 ZINC000263267210 408082757 /nfs/dbraw/zinc/08/27/57/408082757.db2.gz RTISOYXFLBVQHN-LFAOLKIESA-N 0 3 322.372 1.759 10 0 DDAEHN CCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000175385320 408119015 /nfs/dbraw/zinc/11/90/15/408119015.db2.gz GZPUURDVWHZTAJ-LSDHHAIUSA-N 0 3 305.426 1.751 10 0 DDAEHN CCOc1ccc(OCCN2CCO[C@H](CN(C)C)C2)cc1 ZINC000155244306 408141915 /nfs/dbraw/zinc/14/19/15/408141915.db2.gz AIYQRWSRSOPJHI-QGZVFWFLSA-N 0 3 308.422 1.727 10 0 DDAEHN Cc1nn(C(C)(C)C)cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000182444645 408161809 /nfs/dbraw/zinc/16/18/09/408161809.db2.gz ONDOSQXTLMEEPX-CYBMUJFWSA-N 0 3 308.426 1.349 10 0 DDAEHN CC(C)N1C[C@H](NC(=O)c2cnn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000155472575 408170614 /nfs/dbraw/zinc/17/06/14/408170614.db2.gz SUWFAJXJQVYHJO-BBRMVZONSA-N 0 3 313.405 1.726 10 0 DDAEHN C[C@@](O)(CN1CCCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000121245468 408170799 /nfs/dbraw/zinc/17/07/99/408170799.db2.gz IKRLVSGBWLNZLJ-GOSISDBHSA-N 0 3 302.418 1.838 10 0 DDAEHN C[S@@](=O)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000175713872 408187730 /nfs/dbraw/zinc/18/77/30/408187730.db2.gz JMAHVMSQXVNWLK-JLCFBVMHSA-N 0 3 321.446 1.414 10 0 DDAEHN COC(=O)c1ccc(CN2CCO[C@H](CN(C)C)C2)cc1F ZINC000151120292 408259743 /nfs/dbraw/zinc/25/97/43/408259743.db2.gz ISIAKXDTZJFRKD-CYBMUJFWSA-N 0 3 310.369 1.375 10 0 DDAEHN C[C@@H]1CCCN(CCNC(=O)N2CCN3CCCC[C@H]3C2)C1 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DDAEHN CCC[C@H](C(=O)NC[C@H](O)c1cc(OC)cc(OC)c1)N(C)C ZINC000161692148 263344937 /nfs/dbraw/zinc/34/49/37/263344937.db2.gz AIHMIRPPLLDFEN-CVEARBPZSA-N 0 3 324.421 1.584 10 0 DDAEHN C[C@H](CCN[C@H]1CCCS(=O)(=O)C1)NC(=O)OC(C)(C)C ZINC000183201331 263377761 /nfs/dbraw/zinc/37/77/61/263377761.db2.gz YYCLUFHYNQJQDX-NEPJUHHUSA-N 0 3 320.455 1.457 10 0 DDAEHN COC(=O)N1CCC([C@@H](C)NCc2nnc(C(C)C)n2C)CC1 ZINC000186410343 263398996 /nfs/dbraw/zinc/39/89/96/263398996.db2.gz ZLXYUAGIKWBFQQ-GFCCVEGCSA-N 0 3 323.441 1.895 10 0 DDAEHN Cc1c(Br)cccc1NC(=O)[C@H]1CNCCOC1 ZINC000643628790 423225539 /nfs/dbraw/zinc/22/55/39/423225539.db2.gz VGPKNCDYJQIRRM-JTQLQIEISA-N 0 3 313.195 1.932 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000177007957 276180858 /nfs/dbraw/zinc/18/08/58/276180858.db2.gz PIMFLPIBCAMDGN-OLZOCXBDSA-N 0 3 323.462 1.809 10 0 DDAEHN CCN1CCN(C(=O)c2n[nH]c3c2CNCC3)c2ccccc21 ZINC000188767680 276192423 /nfs/dbraw/zinc/19/24/23/276192423.db2.gz OTXVSOSQZIPJKI-UHFFFAOYSA-N 0 3 311.389 1.542 10 0 DDAEHN CCc1nc2n(n1)CCC[C@H]2NC1CCC2(CC1)OCCO2 ZINC000161664465 276694534 /nfs/dbraw/zinc/69/45/34/276694534.db2.gz LHKBISAGBPIWCE-CYBMUJFWSA-N 0 3 306.410 1.951 10 0 DDAEHN COc1ccc2c(c1)[C@H](NC[C@H]1CN(C)CCO1)CCCO2 ZINC000180499541 277989395 /nfs/dbraw/zinc/98/93/95/277989395.db2.gz IAIYFJYAVYXBML-GOEBONIOSA-N 0 3 306.406 1.829 10 0 DDAEHN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN1C ZINC000104867182 281050976 /nfs/dbraw/zinc/05/09/76/281050976.db2.gz QMCVJSVAJNWFIE-OLZOCXBDSA-N 0 3 313.442 1.890 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000128731772 281320456 /nfs/dbraw/zinc/32/04/56/281320456.db2.gz RYZUKIWJHWRYPV-AWEZNQCLSA-N 0 3 301.390 1.372 10 0 DDAEHN C[C@@]1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CCCS1 ZINC000153290350 281787278 /nfs/dbraw/zinc/78/72/78/281787278.db2.gz BYDKJJIPTFREEV-HIFRSBDPSA-N 0 3 315.483 1.418 10 0 DDAEHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000246192036 289313218 /nfs/dbraw/zinc/31/32/18/289313218.db2.gz 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/nfs/dbraw/zinc/53/98/11/535539811.db2.gz IBZAAOHOZHEQJK-SNVBAGLBSA-N 0 3 301.232 1.757 10 0 DDAEHN CO[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000004097647 560123199 /nfs/dbraw/zinc/12/31/99/560123199.db2.gz YGPRSGKVLATIHT-SPOWBLRKSA-N 0 3 301.342 1.187 10 0 biogenic,in-vitro DDAEHN CN(C)C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000123271226 696730241 /nfs/dbraw/zinc/73/02/41/696730241.db2.gz MUBPHYSNFUOUFF-CQSZACIVSA-N 0 3 321.421 1.930 10 0 DDAEHN CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)[NH3+])cc1OC ZINC000261929270 698445348 /nfs/dbraw/zinc/44/53/48/698445348.db2.gz YSAVEMJNIBNFOW-SECBINFHSA-N 0 3 315.395 1.133 10 0 DDAEHN CC(=O)N1C[C@@H](NCc2cnn(C)c2)CC[C@@H]1C(F)(F)F ZINC000886038054 708686741 /nfs/dbraw/zinc/68/67/41/708686741.db2.gz DKPUUJUMZVENEZ-NWDGAFQWSA-N 0 3 304.316 1.452 10 0 DDAEHN CCn1nccc1CN[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 ZINC000886059608 708690305 /nfs/dbraw/zinc/69/03/05/708690305.db2.gz BZEHNTKQIIOTTF-AAEUAGOBSA-N 0 3 318.343 1.934 10 0 DDAEHN CCN1C(=O)C[C@@H](CNCc2ccn(C)n2)[C@@H]1c1cccnc1 ZINC000886085641 708695290 /nfs/dbraw/zinc/69/52/90/708695290.db2.gz YDGAODPUZDELLG-YOEHRIQHSA-N 0 3 313.405 1.514 10 0 DDAEHN Cn1cnnc1C[C@@]1(O)CCCN(C/C=C/c2ccccc2)C1 ZINC000886088177 708696054 /nfs/dbraw/zinc/69/60/54/708696054.db2.gz CRCZXRSNWGAJIS-YXOJNZSOSA-N 0 3 312.417 1.898 10 0 DDAEHN Cc1cnn(C)c1CN[C@H]1CCO[C@@H]1c1cnn(CC2CC2)c1 ZINC000888076042 709209326 /nfs/dbraw/zinc/20/93/26/709209326.db2.gz RNJMBNMKUYECPA-DOTOQJQBSA-N 0 3 315.421 1.955 10 0 DDAEHN CC(C)CN1CCC[C@@H]1CNC(=O)N[C@H](C)C[S@@](C)=O ZINC000248444397 282083743 /nfs/dbraw/zinc/08/37/43/282083743.db2.gz FXEPHTMJGDAPSY-VFGMZZLHSA-N 0 3 303.472 1.173 10 0 DDAEHN CCOCCN1CCN(CCO[C@H]2CCCCO2)C[C@H]1CC ZINC000248573905 282091748 /nfs/dbraw/zinc/09/17/48/282091748.db2.gz MUIOAJYEWCCPHV-SJORKVTESA-N 0 3 314.470 1.962 10 0 DDAEHN CN[C@@H](CSCCS(C)(=O)=O)c1ccccc1OC ZINC000081769083 192323002 /nfs/dbraw/zinc/32/30/02/192323002.db2.gz LZQZNZBIVAGRDX-LBPRGKRZSA-N 0 3 303.449 1.734 10 0 DDAEHN CCCCOC[C@@H](O)CN1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000248646437 282096562 /nfs/dbraw/zinc/09/65/62/282096562.db2.gz HJBIJBOJNFMWTD-KGLIPLIRSA-N 0 3 301.427 1.828 10 0 DDAEHN CN[C@H](CSc1n[nH]c(=O)n1C)c1cc(C)ccc1OC ZINC000081880719 192334493 /nfs/dbraw/zinc/33/44/93/192334493.db2.gz ITEAZMXSWCCSPB-LLVKDONJSA-N 0 3 308.407 1.478 10 0 DDAEHN CN[C@@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2 ZINC000081926526 192340215 /nfs/dbraw/zinc/34/02/15/192340215.db2.gz NMRGELFQBGXZIE-GHMZBOCLSA-N 0 3 317.432 1.405 10 0 DDAEHN CN1CCC(N2CCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000082348129 185176731 /nfs/dbraw/zinc/17/67/31/185176731.db2.gz LBPUPTZYPJANJT-UHFFFAOYSA-N 0 3 303.406 1.897 10 0 DDAEHN CS(=O)(=O)C[C@H](O)[C@H](CN)c1ccc(Cl)cc1Cl ZINC000087368403 185222841 /nfs/dbraw/zinc/22/28/41/185222841.db2.gz JJJINGGKMGZHPX-KOLCDFICSA-N 0 3 312.218 1.441 10 0 DDAEHN NC[C@]1(Nc2ccccc2Br)CCS(=O)(=O)C1 ZINC000087914575 185237482 /nfs/dbraw/zinc/23/74/82/185237482.db2.gz RCAZFUTUBOIXRK-LLVKDONJSA-N 0 3 319.224 1.377 10 0 DDAEHN COc1cc(OC)c([C@H](CN)NCC(F)(F)F)c(OC)c1 ZINC000087929484 185237596 /nfs/dbraw/zinc/23/75/96/185237596.db2.gz WYVOWFXDZRRIER-VIFPVBQESA-N 0 3 308.300 1.864 10 0 DDAEHN N[C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000088312008 185245303 /nfs/dbraw/zinc/24/53/03/185245303.db2.gz PLHOGSHCRGTASK-GHMZBOCLSA-N 0 3 310.202 1.883 10 0 DDAEHN CCN[C@H](c1ccccc1)[C@H](CC)S(=O)(=O)CC(=O)OC ZINC000081975528 192348623 /nfs/dbraw/zinc/34/86/23/192348623.db2.gz GGLMZGXXVHUMOF-DZGCQCFKSA-N 0 3 313.419 1.704 10 0 DDAEHN COCC[C@H](C)[N-]S(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088551401 185257463 /nfs/dbraw/zinc/25/74/63/185257463.db2.gz ABIOINQGHVPDKW-NSHDSACASA-N 0 3 318.439 1.871 10 0 DDAEHN CCC[NH2+]Cc1ccc(S(=O)(=O)[N-][C@H](C)CCOC)o1 ZINC000088551400 185257586 /nfs/dbraw/zinc/25/75/86/185257586.db2.gz RBUIZQQXOKDDKQ-LLVKDONJSA-N 0 3 304.412 1.483 10 0 DDAEHN C[C@H](c1ccccc1C(F)(F)F)N1CCNC[C@@H]1C(N)=O ZINC000088659112 185261885 /nfs/dbraw/zinc/26/18/85/185261885.db2.gz IAEOKKSZOIHOHM-BXKDBHETSA-N 0 3 301.312 1.526 10 0 DDAEHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cccc(CO)c2)C1 ZINC000088873244 185267655 /nfs/dbraw/zinc/26/76/55/185267655.db2.gz RXWMVRCBCHFKKB-CQSZACIVSA-N 0 3 312.435 1.284 10 0 DDAEHN CCC[C@H](C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)N(C)C ZINC000253555147 282217425 /nfs/dbraw/zinc/21/74/25/282217425.db2.gz KFXJUXGETHAQBB-SOUVJXGZSA-N 0 3 313.486 1.721 10 0 DDAEHN CCCN(C1CNC1)S(=O)(=O)c1ccc(Cl)cc1OC ZINC000090293246 185289912 /nfs/dbraw/zinc/28/99/12/185289912.db2.gz WPUBSHORWIMVEO-UHFFFAOYSA-N 0 3 318.826 1.721 10 0 DDAEHN N[C@H]1COC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000090364325 185292837 /nfs/dbraw/zinc/29/28/37/185292837.db2.gz HNXXGGLIKXVCQY-UWVGGRQHSA-N 0 3 310.151 1.940 10 0 DDAEHN N[C@H]1COC[C@@H]1C(=O)Nc1ccc(F)cc1Br ZINC000090379125 185293642 /nfs/dbraw/zinc/29/36/42/185293642.db2.gz XHRYKSKKXOGCLM-CBAPKCEASA-N 0 3 303.131 1.500 10 0 DDAEHN CN[C@H]1COC[C@H]1C(=O)Nc1ccc(Br)c(C)c1 ZINC000090431572 185295818 /nfs/dbraw/zinc/29/58/18/185295818.db2.gz ACXNVNNSDNQPHW-PWSUYJOCSA-N 0 3 313.195 1.930 10 0 DDAEHN CN[C@H]1COC[C@@H]1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000090431639 185295832 /nfs/dbraw/zinc/29/58/32/185295832.db2.gz MTQMGFYNWVUBJX-IUCAKERBSA-N 0 3 300.261 1.181 10 0 DDAEHN CN[C@@H]1COC[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000090434709 185296425 /nfs/dbraw/zinc/29/64/25/185296425.db2.gz LYSNZTQGZCCNPL-CMPLNLGQSA-N 0 3 305.403 1.489 10 0 DDAEHN COC(=O)c1c(C)c(C)sc1NC(=O)[C@@]1(C)COC[C@@H]1N ZINC000090599335 185305850 /nfs/dbraw/zinc/30/58/50/185305850.db2.gz UAQMBWHJNBDZFS-XPTSAGLGSA-N 0 3 312.391 1.454 10 0 DDAEHN COc1cc(NC(=O)[C@@]2(C)COC[C@H]2N)c(OC)cc1Cl ZINC000090580376 185304851 /nfs/dbraw/zinc/30/48/51/185304851.db2.gz JGIRRMLSOOPSFN-OCCSQVGLSA-N 0 3 314.769 1.660 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)CN2c3ccccc3SCC2=O)C1 ZINC000170859660 197838545 /nfs/dbraw/zinc/83/85/45/197838545.db2.gz SLLWPJFQATZOOW-LBPRGKRZSA-N 0 3 319.430 1.288 10 0 DDAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccnc(-n2ccnc2)c1 ZINC000172059137 198033138 /nfs/dbraw/zinc/03/31/38/198033138.db2.gz MWNMXGGWVAODMU-UKRRQHHQSA-N 0 3 311.389 1.576 10 0 DDAEHN CN(C)CCc1nc2ccccc2c(NCCOCCO)n1 ZINC000002548453 352110425 /nfs/dbraw/zinc/11/04/25/352110425.db2.gz WEKIDZUMOJAYJQ-UHFFFAOYSA-N 0 3 304.394 1.155 10 0 DDAEHN Cc1csc2nc(CN3CCN4CCCC[C@@H]4C3)cc(=O)n12 ZINC000172803662 198151632 /nfs/dbraw/zinc/15/16/32/198151632.db2.gz RRAMRGXGJWKHPA-CQSZACIVSA-N 0 3 318.446 1.735 10 0 DDAEHN C[C@@H](CNC(=O)N1CC[C@@H](N(C)C)C1)Oc1ccccc1F ZINC000173917154 198267968 /nfs/dbraw/zinc/26/79/68/198267968.db2.gz ZOYJCYINWRELDT-QWHCGFSZSA-N 0 3 309.385 1.939 10 0 DDAEHN COC(=O)c1ccccc1OCCN1CCO[C@@H](CN(C)C)C1 ZINC000182149480 199393603 /nfs/dbraw/zinc/39/36/03/199393603.db2.gz SLRGXNJFRIIZCS-AWEZNQCLSA-N 0 3 322.405 1.114 10 0 DDAEHN CCCCNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114580955 353980979 /nfs/dbraw/zinc/98/09/79/353980979.db2.gz WUGGTWHGKOZOJC-UHFFFAOYSA-N 0 3 319.453 1.775 10 0 DDAEHN Cc1ccc(C(=O)N2CCO[C@H](CN(C)CC3CC3)C2)n1C ZINC000328631763 354553569 /nfs/dbraw/zinc/55/35/69/354553569.db2.gz KVZOLKRHDMZUGA-OAHLLOKOSA-N 0 3 305.422 1.516 10 0 DDAEHN CN(CC1CC1)C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCO1 ZINC000328647539 354559263 /nfs/dbraw/zinc/55/92/63/354559263.db2.gz UAOAXXFCEWPMOP-KRWDZBQOSA-N 0 3 320.408 1.937 10 0 DDAEHN CCCn1cc(Br)cc1C(=O)NC[C@@H](N)[C@H](C)O ZINC000080697760 192183161 /nfs/dbraw/zinc/18/31/61/192183161.db2.gz YREDPLFNMWGRMC-WCBMZHEXSA-N 0 3 318.215 1.099 10 0 DDAEHN C[C@H](O)[C@H](N)CNC(=O)c1cc(Br)ccc1F ZINC000080699195 192183816 /nfs/dbraw/zinc/18/38/16/192183816.db2.gz QQMZUDSMGCYPOS-QUBYGPBYSA-N 0 3 305.147 1.026 10 0 DDAEHN COc1ccc(CNC(=O)C2(N)CCCC2)c(OC)c1OC ZINC000237276325 202215317 /nfs/dbraw/zinc/21/53/17/202215317.db2.gz PRRSZBPMLNYLOH-UHFFFAOYSA-N 0 3 308.378 1.600 10 0 DDAEHN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)C(=O)NC(N)=O ZINC000180659891 199192695 /nfs/dbraw/zinc/19/26/95/199192695.db2.gz KIBFORAWDBCHOP-GHMZBOCLSA-N 0 3 301.350 1.106 10 0 DDAEHN CN(C)C[C@H]1CN(C(=O)Nc2nnc(C(F)F)s2)CCO1 ZINC000181184708 199261987 /nfs/dbraw/zinc/26/19/87/199261987.db2.gz FCAUIDXFMUFNIC-ZETCQYMHSA-N 0 3 321.353 1.270 10 0 DDAEHN Cc1cc(N2CCC[C@H](NC[C@H]3CCC=CO3)C2=O)n(C)n1 ZINC000194486406 201236960 /nfs/dbraw/zinc/23/69/60/201236960.db2.gz SXDLGTXQYKRKMF-KGLIPLIRSA-N 0 3 304.394 1.506 10 0 DDAEHN COC(=O)C[C@H]1CCCCN1C(=O)C[C@H]1CSCCN1 ZINC000091137298 193003096 /nfs/dbraw/zinc/00/30/96/193003096.db2.gz VTHBBCVFGAEDMX-NWDGAFQWSA-N 0 3 300.424 1.026 10 0 DDAEHN CCCNCc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1C1CC1 ZINC000091337280 193043266 /nfs/dbraw/zinc/04/32/66/193043266.db2.gz XGKVTGNYESEEQO-HNNXBMFYSA-N 0 3 311.451 1.794 10 0 DDAEHN COCC[C@H](N)C(=O)Nc1ccc(Br)c(C)n1 ZINC000091507008 193066380 /nfs/dbraw/zinc/06/63/80/193066380.db2.gz ZQHDCMJXYFMOFY-VIFPVBQESA-N 0 3 302.172 1.455 10 0 DDAEHN CC[C@@H]1CN(S(=O)(=O)c2ccc(CN)cc2F)CCO1 ZINC000092115684 193163360 /nfs/dbraw/zinc/16/33/60/193163360.db2.gz HZAIUADNTWGOQX-LLVKDONJSA-N 0 3 302.371 1.084 10 0 DDAEHN CCNCc1ccc(S(=O)(=O)N(CC)CCOC)c(F)c1 ZINC000092115916 193163829 /nfs/dbraw/zinc/16/38/29/193163829.db2.gz NYUHYOOWXFOEFC-UHFFFAOYSA-N 0 3 318.414 1.592 10 0 DDAEHN CNCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c(F)c1 ZINC000092116296 193164571 /nfs/dbraw/zinc/16/45/71/193164571.db2.gz ZICPNSIXXOSXMG-GHMZBOCLSA-N 0 3 300.399 1.822 10 0 DDAEHN COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093065976 193199401 /nfs/dbraw/zinc/19/94/01/193199401.db2.gz RPFYFZFIOSCTKN-GJZGRUSLSA-N 0 3 317.389 1.223 10 0 DDAEHN CCC[C@H](C(N)=S)N1CCN(CC(C)(C)C(=O)OC)CC1 ZINC000093717181 193297014 /nfs/dbraw/zinc/29/70/14/193297014.db2.gz LRLSWBKVCIQFIC-GFCCVEGCSA-N 0 3 315.483 1.258 10 0 DDAEHN NC(=O)[C@@]1(N)CCC[C@H](Sc2nnnn2C2CCCC2)C1 ZINC000093777765 193304662 /nfs/dbraw/zinc/30/46/62/193304662.db2.gz QIMSMIDFUAOUFR-GXFFZTMASA-N 0 3 310.427 1.006 10 0 DDAEHN NC(=O)[C@@]1(NC2CC2)CC[C@@H](n2cc(C(F)(F)F)cn2)C1 ZINC000093834071 193315096 /nfs/dbraw/zinc/31/50/96/193315096.db2.gz YLRBAQSCXUMGPU-ZYHUDNBSSA-N 0 3 302.300 1.603 10 0 DDAEHN NC(=O)[C@@]1(N)CC[C@@H](Sc2ncccc2Br)C1 ZINC000093853869 193319862 /nfs/dbraw/zinc/31/98/62/193319862.db2.gz BRAUCPSHTKZUDC-RDDDGLTNSA-N 0 3 316.224 1.672 10 0 DDAEHN CNC(=O)[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1CN ZINC000094334198 193360362 /nfs/dbraw/zinc/36/03/62/193360362.db2.gz ARZWGWVSZOVNTM-VIFPVBQESA-N 0 3 302.300 1.274 10 0 DDAEHN Cc1ccccc1CCNS(=O)(=O)c1ccccc1CN ZINC000094183152 193347908 /nfs/dbraw/zinc/34/79/08/193347908.db2.gz MAQGHGOAPDUACI-UHFFFAOYSA-N 0 3 304.415 1.975 10 0 DDAEHN CN(CCNc1nc(Br)cn2ccnc12)C1CC1 ZINC000094490795 193373754 /nfs/dbraw/zinc/37/37/54/193373754.db2.gz FMGGTJIPRYYAAQ-UHFFFAOYSA-N 0 3 310.199 1.998 10 0 DDAEHN C[C@H](O)[C@@H](N)CNC(=O)c1c(F)cc(Br)cc1F ZINC000094717057 193393580 /nfs/dbraw/zinc/39/35/80/193393580.db2.gz KXLYLYBBZGTYNQ-CDUCUWFYSA-N 0 3 323.137 1.165 10 0 DDAEHN CN(C)C[C@@H]1C[C@H](O)CN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC000097246453 193697709 /nfs/dbraw/zinc/69/77/09/193697709.db2.gz DTSCBBUPRKYKDP-UWVGGRQHSA-N 0 3 318.204 1.525 10 0 DDAEHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(F)cc2Br)C1 ZINC000040631212 183111487 /nfs/dbraw/zinc/11/14/87/183111487.db2.gz CUSDDGLLTJKJAD-KCJUWKMLSA-N 0 3 317.158 1.904 10 0 DDAEHN CN1CCC[C@@H](Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000040673400 183115945 /nfs/dbraw/zinc/11/59/45/183115945.db2.gz CDQFRQDJZZSFPB-CQSZACIVSA-N 0 3 309.435 1.633 10 0 DDAEHN Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(C(C)C)C2)cc1N ZINC000040621002 183109469 /nfs/dbraw/zinc/10/94/69/183109469.db2.gz LGTYJHDZVIAWJP-ZDUSSCGKSA-N 0 3 311.451 1.586 10 0 DDAEHN Cc1cc(N)ccc1S(=O)(=O)NC[C@H]1CCN(C(C)C)C1 ZINC000040621234 183109871 /nfs/dbraw/zinc/10/98/71/183109871.db2.gz IREJDLNIWHFTQP-CYBMUJFWSA-N 0 3 311.451 1.586 10 0 DDAEHN COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C[C@@H](OC)CN1 ZINC000040852831 183142116 /nfs/dbraw/zinc/14/21/16/183142116.db2.gz UXVMAAMREJSGAM-NXEZZACHSA-N 0 3 312.391 1.467 10 0 DDAEHN CC[C@@H](N)[C@H](c1ccc(F)cc1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000042914736 183318463 /nfs/dbraw/zinc/31/84/63/183318463.db2.gz HALXPNMELPKISP-KFWWJZLASA-N 0 3 314.426 1.723 10 0 DDAEHN CC[C@@H](N)[C@H](c1ccc(C)s1)N(C)CC(=O)NCCOC ZINC000043242792 183346748 /nfs/dbraw/zinc/34/67/48/183346748.db2.gz GWNHLAQQQDOEHN-IUODEOHRSA-N 0 3 313.467 1.529 10 0 DDAEHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000105824074 194137216 /nfs/dbraw/zinc/13/72/16/194137216.db2.gz CSNPTEXFCCSCNZ-UONOGXRCSA-N 0 3 323.412 1.541 10 0 DDAEHN C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)NCc1ccc(F)cc1 ZINC000105871443 194152326 /nfs/dbraw/zinc/15/23/26/194152326.db2.gz BGTWBYJALCZRGD-FZMZJTMJSA-N 0 3 317.368 1.027 10 0 DDAEHN COCCN1CCN(C[C@H](O)COCc2ccccc2)C[C@@H]1C ZINC000105902859 194165875 /nfs/dbraw/zinc/16/58/75/194165875.db2.gz PZBXNKOHQSSCAB-WMZOPIPTSA-N 0 3 322.449 1.217 10 0 DDAEHN CCCNC(=O)CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000109363554 194259545 /nfs/dbraw/zinc/25/95/45/194259545.db2.gz PWAFELLHMQUVMB-OAHLLOKOSA-N 0 3 305.422 1.712 10 0 DDAEHN CN[C@@H](CCN1CCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000053980135 183918684 /nfs/dbraw/zinc/91/86/84/183918684.db2.gz IJFKYUIDPSKGEU-AWEZNQCLSA-N 0 3 300.399 1.207 10 0 DDAEHN COc1ccc(S(=O)(=O)N(C)[C@H]2CCCNC2)cc1F ZINC000110928276 194369746 /nfs/dbraw/zinc/36/97/46/194369746.db2.gz DAGBHTJWOIGIFL-JTQLQIEISA-N 0 3 302.371 1.207 10 0 DDAEHN COc1ccccc1C(=O)NC1CCN(CC(N)=S)CC1 ZINC000110825637 194361701 /nfs/dbraw/zinc/36/17/01/194361701.db2.gz GBSMYTOFDGQAOU-UHFFFAOYSA-N 0 3 307.419 1.176 10 0 DDAEHN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCNC2)cc1F ZINC000110928273 194370426 /nfs/dbraw/zinc/37/04/26/194370426.db2.gz DAGBHTJWOIGIFL-SNVBAGLBSA-N 0 3 302.371 1.207 10 0 DDAEHN CCN([C@H]1CCCNC1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000110941736 194371863 /nfs/dbraw/zinc/37/18/63/194371863.db2.gz VYDVLTHDTHIWSL-NSHDSACASA-N 0 3 316.398 1.597 10 0 DDAEHN CN(c1nc2c(s1)[C@H](N)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000054896113 183954058 /nfs/dbraw/zinc/95/40/58/183954058.db2.gz PTBDHBLAZFRHOM-RKDXNWHRSA-N 0 3 301.437 1.103 10 0 DDAEHN CN[C@H](Cc1ccc(Br)cc1F)CS(C)(=O)=O ZINC000060705696 184154414 /nfs/dbraw/zinc/15/44/14/184154414.db2.gz FHZXDUGRTAYHTB-SNVBAGLBSA-N 0 3 324.215 1.763 10 0 DDAEHN CC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000061271238 184167114 /nfs/dbraw/zinc/16/71/14/184167114.db2.gz XDECRLSNIPUSKW-VIFPVBQESA-N 0 3 317.386 1.524 10 0 DDAEHN COCCN(C)CCNc1nc2c(cc1C(N)=S)CCC2 ZINC000061381100 184170018 /nfs/dbraw/zinc/17/00/18/184170018.db2.gz ZAZHKYNFRLNDEA-UHFFFAOYSA-N 0 3 308.451 1.195 10 0 DDAEHN NC[C@@H](c1cccc(Br)c1)N1CCNC(=O)CC1 ZINC000062099591 184206112 /nfs/dbraw/zinc/20/61/12/184206112.db2.gz ODBOVJTUIOZJGN-LBPRGKRZSA-N 0 3 312.211 1.271 10 0 DDAEHN CCN(CC)CCN[C@@H](C(N)=O)c1cc(F)c(F)c(F)c1 ZINC000062712471 184248736 /nfs/dbraw/zinc/24/87/36/184248736.db2.gz BLEJEZLMWCDVHH-CYBMUJFWSA-N 0 3 303.328 1.562 10 0 DDAEHN COCCNCc1cc(Cl)c(OC[C@H](C)O)c(OC)c1 ZINC000062727879 184250620 /nfs/dbraw/zinc/25/06/20/184250620.db2.gz YBTHIAZFZLYJMP-JTQLQIEISA-N 0 3 303.786 1.844 10 0 DDAEHN COCCNCc1cc(Cl)ccc1OC[C@H](C)C(N)=O ZINC000062731026 184251145 /nfs/dbraw/zinc/25/11/45/184251145.db2.gz SWDMBGVNAUPWSJ-JTQLQIEISA-N 0 3 300.786 1.576 10 0 DDAEHN COCCNCc1ccccc1OCCCS(C)(=O)=O ZINC000063014480 184266599 /nfs/dbraw/zinc/26/65/99/184266599.db2.gz RUTZNOXJNYQBEQ-UHFFFAOYSA-N 0 3 301.408 1.236 10 0 DDAEHN CC(=O)c1ccccc1NC(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000155254048 197036472 /nfs/dbraw/zinc/03/64/72/197036472.db2.gz HUTKJUSPWXPPGJ-CQSZACIVSA-N 0 3 319.405 1.090 10 0 DDAEHN O=C([C@@H]1CN(Cc2ccsc2)[C@H]2CCO[C@@H]12)N1CCOCC1 ZINC000247761993 257118208 /nfs/dbraw/zinc/11/82/08/257118208.db2.gz HYKWHSDIPUQZKX-ILXRZTDVSA-N 0 3 322.430 1.196 10 0 DDAEHN Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)o1 ZINC000074218417 406905947 /nfs/dbraw/zinc/90/59/47/406905947.db2.gz PBZDWGVUUBJFNV-STQMWFEESA-N 0 3 307.394 1.175 10 0 DDAEHN O=C(CN1CCNCC1)Nc1nc2ccc(Cl)cc2s1 ZINC000034958654 406966401 /nfs/dbraw/zinc/96/64/01/406966401.db2.gz RCLLBWTWAPWAST-UHFFFAOYSA-N 0 3 310.810 1.793 10 0 DDAEHN COc1ccccc1C(=O)N[C@@H](C(=O)NCCN(C)C)C(C)C ZINC000045164685 407039906 /nfs/dbraw/zinc/03/99/06/407039906.db2.gz SSSRNBOUDVHETC-OAHLLOKOSA-N 0 3 321.421 1.127 10 0 DDAEHN C[C@@H](N[C@@H](C)c1cccc(Br)c1)C(=O)NC(N)=O ZINC000037984431 406995638 /nfs/dbraw/zinc/99/56/38/406995638.db2.gz ILEMJXNQZQGNBN-JGVFFNPUSA-N 0 3 314.183 1.683 10 0 DDAEHN C[C@@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCC[C@@H](C)C1 ZINC000105127115 407352470 /nfs/dbraw/zinc/35/24/70/407352470.db2.gz IPNKXAOUJLPGIO-IXDOHACOSA-N 0 3 322.497 1.987 10 0 DDAEHN CCCCOC[C@@H](O)CN1CCOCC2(CCOCC2)C1 ZINC000195216586 407441348 /nfs/dbraw/zinc/44/13/48/407441348.db2.gz LLUAZFJCDMQGEL-HNNXBMFYSA-N 0 3 301.427 1.293 10 0 DDAEHN CCc1ccc([C@@H](C)NC(=O)C(=O)NCCN(CC)CC)cc1 ZINC000170352583 407443856 /nfs/dbraw/zinc/44/38/56/407443856.db2.gz GOGYKYDUJSFYOH-CQSZACIVSA-N 0 3 319.449 1.884 10 0 DDAEHN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000195450724 407458340 /nfs/dbraw/zinc/45/83/40/407458340.db2.gz LXJNDJHEHHJMLX-LBPRGKRZSA-N 0 3 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BBFQLCGGTKIWTQ-CYBMUJFWSA-N 0 3 311.451 1.458 10 0 DDAEHN CC(C)(O)CN1CCN([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094411090 193368749 /nfs/dbraw/zinc/36/87/49/193368749.db2.gz CLPGSVPSZPRNGG-GDBMZVCRSA-N 0 3 314.495 1.430 10 0 DDAEHN CCN(CC)CCN[C@@]1(C(=O)OC)CSCC(C)(C)C1 ZINC000094490017 193373622 /nfs/dbraw/zinc/37/36/22/193373622.db2.gz MFYVPFFZHLHLAO-OAHLLOKOSA-N 0 3 302.484 1.993 10 0 DDAEHN CNCc1ccc(COc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000094761448 193395823 /nfs/dbraw/zinc/39/58/23/193395823.db2.gz KDHSIFHIGGBMPR-UHFFFAOYSA-N 0 3 306.387 1.784 10 0 DDAEHN Cc1ccccc1[C@H]1CCN(CCNC(=O)Nc2nc[nH]n2)C1 ZINC000020907463 182253470 /nfs/dbraw/zinc/25/34/70/182253470.db2.gz BSWZOCSFLOHWTN-ZDUSSCGKSA-N 0 3 314.393 1.724 10 0 DDAEHN O=C1c2ccccc2C(=O)N1CCN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000306685164 248835822 /nfs/dbraw/zinc/83/58/22/248835822.db2.gz ISQHWASXIZBOEK-MELADBBJSA-N 0 3 314.385 1.375 10 0 DDAEHN Cc1cc(OC(C)C)ccc1NS(=O)(=O)N1CCNCC1 ZINC000040861597 183143987 /nfs/dbraw/zinc/14/39/87/183143987.db2.gz GDLYLBMLCRNPKJ-UHFFFAOYSA-N 0 3 313.423 1.344 10 0 DDAEHN NCc1cccc(Br)c1O[C@@H]1CCCCNC1=O ZINC000042411389 183265289 /nfs/dbraw/zinc/26/52/89/183265289.db2.gz MSGPJYDESWPVFP-LLVKDONJSA-N 0 3 313.195 1.955 10 0 DDAEHN CC[C@H](N)[C@H](c1sccc1C)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000043248188 183347214 /nfs/dbraw/zinc/34/72/14/183347214.db2.gz ASRFACMCUVENTN-FRRDWIJNSA-N 0 3 316.492 1.954 10 0 DDAEHN COc1cc([C@H](N)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000043299801 183351224 /nfs/dbraw/zinc/35/12/24/183351224.db2.gz GETIMJMFVFKFHC-NOZJJQNGSA-N 0 3 315.391 1.147 10 0 DDAEHN NC[C@@H](c1cc(Br)cs1)N(CCO)C1CC1 ZINC000043287380 183351625 /nfs/dbraw/zinc/35/16/25/183351625.db2.gz ZKEADNAZPJJTCE-JTQLQIEISA-N 0 3 305.241 1.967 10 0 DDAEHN CN(C)C(C)(C)CNS(=O)(=O)c1cc(Cl)ccc1N ZINC000043411146 183360044 /nfs/dbraw/zinc/36/00/44/183360044.db2.gz UKHPPGMCRYMPCY-UHFFFAOYSA-N 0 3 305.831 1.541 10 0 DDAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1)CC2 ZINC000105872654 194153207 /nfs/dbraw/zinc/15/32/07/194153207.db2.gz LYEMWUPNKVHWRW-GXTWGEPZSA-N 0 3 313.405 1.772 10 0 DDAEHN COCCCN1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000105894400 194161106 /nfs/dbraw/zinc/16/11/06/194161106.db2.gz IEJOCVPUFBLMRU-MRXNPFEDSA-N 0 3 308.422 1.080 10 0 DDAEHN Cc1ccc(OC[C@@H](O)CN2CCO[C@H](CN(C)C)C2)c(C)c1 ZINC000105904615 194166774 /nfs/dbraw/zinc/16/67/74/194166774.db2.gz YSXJLLUIUJSFCG-DLBZAZTESA-N 0 3 322.449 1.306 10 0 DDAEHN C[C@H](C(=O)NCc1cccs1)N1CCO[C@H](CN(C)C)C1 ZINC000105926729 194172726 /nfs/dbraw/zinc/17/27/26/194172726.db2.gz INCVTVZYEHKVLS-CHWSQXEVSA-N 0 3 311.451 1.015 10 0 DDAEHN COc1cccc(CN2CCN(C(C)(C)C(N)=S)CC2)c1 ZINC000109470909 194267602 /nfs/dbraw/zinc/26/76/02/194267602.db2.gz OWGHEEHHCZFJKR-UHFFFAOYSA-N 0 3 307.463 1.878 10 0 DDAEHN C[C@]1(n2c(N)nc3ccc(F)c(F)c32)CCS(=O)(=O)C1 ZINC000053170288 183891289 /nfs/dbraw/zinc/89/12/89/183891289.db2.gz ZFORVRLIENHROH-LBPRGKRZSA-N 0 3 301.318 1.430 10 0 DDAEHN CC(C)NCc1c(N2CCNC(=O)[C@@H]2C)nc2sccn12 ZINC000110661723 194347445 /nfs/dbraw/zinc/34/74/45/194347445.db2.gz KVBIAKZFHKQCSM-JTQLQIEISA-N 0 3 307.423 1.219 10 0 DDAEHN CC[C@H]1CNCCN1c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000110678178 194349186 /nfs/dbraw/zinc/34/91/86/194349186.db2.gz ZSDHWAYIFCYBEQ-JTQLQIEISA-N 0 3 304.362 1.871 10 0 DDAEHN CC[C@@H]1C(=O)NCCN1c1ccc(C(F)(F)F)cc1CN ZINC000110676283 194349210 /nfs/dbraw/zinc/34/92/10/194349210.db2.gz OXDQWWQWMRAEBT-LLVKDONJSA-N 0 3 301.312 1.879 10 0 DDAEHN CN[C@H](C)c1cccc(S(=O)(=O)N2CCN(C)[C@@H](C)C2)c1 ZINC000110763457 194357034 /nfs/dbraw/zinc/35/70/34/194357034.db2.gz SGWFCLQTGRJDOA-QWHCGFSZSA-N 0 3 311.451 1.292 10 0 DDAEHN CN(C)CCN(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1 ZINC000111152247 194396715 /nfs/dbraw/zinc/39/67/15/194396715.db2.gz WVIVSWZGKOVOOL-UHFFFAOYSA-N 0 3 304.316 1.625 10 0 DDAEHN CCN[C@@H](c1cc2c(cc1Cl)NC(=O)C2)[C@@H]1COCCO1 ZINC000055300293 183977803 /nfs/dbraw/zinc/97/78/03/183977803.db2.gz ZBOLDXIIPUCORI-ZFWWWQNUSA-N 0 3 310.781 1.901 10 0 DDAEHN C[C@H](CNC1=NS(=O)(=O)c2ccccc21)CN1CCCC1 ZINC000058123989 184077561 /nfs/dbraw/zinc/07/75/61/184077561.db2.gz DMMCLKBRKKVTKP-GFCCVEGCSA-N 0 3 307.419 1.457 10 0 DDAEHN CCN[C@@H](Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O ZINC000060706009 184154420 /nfs/dbraw/zinc/15/44/20/184154420.db2.gz YAGGSMNLMONKAY-LBPRGKRZSA-N 0 3 300.424 1.272 10 0 DDAEHN CS(=O)(=O)C[C@@H](N)Cc1cc(F)ccc1Br ZINC000060705322 184154497 /nfs/dbraw/zinc/15/44/97/184154497.db2.gz UPXJJQVQERAUAA-VIFPVBQESA-N 0 3 310.188 1.503 10 0 DDAEHN Clc1nc(N[C@H]2CN3CCC2CC3)nc(-n2cccn2)n1 ZINC000061536703 184172262 /nfs/dbraw/zinc/17/22/62/184172262.db2.gz JGCKCXSCVGTGSL-JTQLQIEISA-N 0 3 305.773 1.217 10 0 DDAEHN CN(c1nc(Cl)nc(N2CCCC2)n1)[C@@H]1CCCN(C)C1 ZINC000061542616 184174293 /nfs/dbraw/zinc/17/42/93/184174293.db2.gz IJHTVTMMVOOFHS-LLVKDONJSA-N 0 3 310.833 1.656 10 0 DDAEHN CN(C)CCN[C@](C)(CO)c1ccc(F)c(Br)c1 ZINC000061689763 184182723 /nfs/dbraw/zinc/18/27/23/184182723.db2.gz WQRJOORHAKCDAR-CYBMUJFWSA-N 0 3 319.218 1.947 10 0 DDAEHN NCc1ccccc1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000061841350 184189267 /nfs/dbraw/zinc/18/92/67/184189267.db2.gz UDJUVTOLZUGNPZ-UHFFFAOYSA-N 0 3 312.341 1.902 10 0 DDAEHN CN(C)CCNC(=O)CCc1cc2ccc(F)cc2[nH]c1=O ZINC000062065807 184203916 /nfs/dbraw/zinc/20/39/16/184203916.db2.gz KRFZBYNLOCKNTA-UHFFFAOYSA-N 0 3 305.353 1.278 10 0 DDAEHN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1N)CN1CCCC1 ZINC000062069922 184204243 /nfs/dbraw/zinc/20/42/43/184204243.db2.gz AMMFWBXFJBYWJS-LBPRGKRZSA-N 0 3 311.451 1.816 10 0 DDAEHN COCCNCc1c(C)nn(C)c1-n1nc(C)c(Cl)c1C ZINC000062738850 184252234 /nfs/dbraw/zinc/25/22/34/184252234.db2.gz IREVRXRIQODEEQ-UHFFFAOYSA-N 0 3 311.817 1.920 10 0 DDAEHN CCn1cc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2[NH3+])nc1C ZINC000063213207 184278304 /nfs/dbraw/zinc/27/83/04/184278304.db2.gz ODWZEAXDYFEFCG-NWDGAFQWSA-N 0 3 300.428 1.150 10 0 DDAEHN Cc1cc([C@@H](CN)N2CC[C@H](N3CCOCC3)C2)c(C)s1 ZINC000062978726 184264004 /nfs/dbraw/zinc/26/40/04/184264004.db2.gz LJNHEZPTFLKVBR-GOEBONIOSA-N 0 3 309.479 1.771 10 0 DDAEHN NNc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000062985132 184265148 /nfs/dbraw/zinc/26/51/48/184265148.db2.gz ZZBVSGJHZJWWJP-JTQLQIEISA-N 0 3 309.801 1.331 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C)nc1 ZINC000120297798 195137337 /nfs/dbraw/zinc/13/73/37/195137337.db2.gz IGNWTDUZJJAYIU-AWEZNQCLSA-N 0 3 304.394 1.271 10 0 DDAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000245436940 285237251 /nfs/dbraw/zinc/23/72/51/285237251.db2.gz WACUUUVGPLIYRY-RBSFLKMASA-N 0 3 310.438 1.909 10 0 DDAEHN C[C@H](N[C@@H]1C[C@@H]1C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000120433790 195165540 /nfs/dbraw/zinc/16/55/40/195165540.db2.gz BLXHBLSNPRLGJG-HEHGZKQESA-N 0 3 324.446 1.767 10 0 DDAEHN C[C@H](N[C@@H]1C[C@H]1C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000120551562 195188902 /nfs/dbraw/zinc/18/89/02/195188902.db2.gz QPZATHVXYAXGKO-DVOMOZLQSA-N 0 3 324.446 1.767 10 0 DDAEHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000245439062 285272494 /nfs/dbraw/zinc/27/24/94/285272494.db2.gz ZBFKYRBKRYPDOD-STQMWFEESA-N 0 3 307.394 1.341 10 0 DDAEHN COc1ncccc1CN1CC[C@@H]2OCC[C@]2(C(=O)N(C)C)C1 ZINC000248046098 257109512 /nfs/dbraw/zinc/10/95/12/257109512.db2.gz WLCCJFFQSDACPA-YOEHRIQHSA-N 0 3 319.405 1.159 10 0 DDAEHN CN(C)CCO[C@@H]1CN(Cc2ccncc2)[C@H]2CCCO[C@@H]12 ZINC000247990035 257111673 /nfs/dbraw/zinc/11/16/73/257111673.db2.gz LEIIOBVFEWFWDY-GVDBMIGSSA-N 0 3 305.422 1.392 10 0 DDAEHN Fc1cnc(N2CCO[C@@H]3CN(CC4CCCC4)C[C@H]32)nc1 ZINC000503717891 257208044 /nfs/dbraw/zinc/20/80/44/257208044.db2.gz QLIVNFHPVGSKDR-HUUCEWRRSA-N 0 3 306.385 1.695 10 0 DDAEHN COCCN1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@H]2C1 ZINC000503716694 257209920 /nfs/dbraw/zinc/20/99/20/257209920.db2.gz NMPVEYKURBRXRO-WMLDXEAASA-N 0 3 308.397 1.999 10 0 DDAEHN COCCOCCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000045185664 407040810 /nfs/dbraw/zinc/04/08/10/407040810.db2.gz ZBMOWRJGIGOJHH-OAHLLOKOSA-N 0 3 309.410 1.252 10 0 DDAEHN O=C(NCc1ccc(F)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000049172429 407116398 /nfs/dbraw/zinc/11/63/98/407116398.db2.gz QOSNFQUUAMALTK-OAHLLOKOSA-N 0 3 309.385 1.472 10 0 DDAEHN Cc1cc(C)cc(NC(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000105926086 407357245 /nfs/dbraw/zinc/35/72/45/407357245.db2.gz NVAKRGJWQXWNGO-NVXWUHKLSA-N 0 3 319.449 1.893 10 0 DDAEHN Cc1cccc(OC[C@H](O)CN2CCN3CCCC[C@@H]3C2)c1 ZINC000125295310 407383925 /nfs/dbraw/zinc/38/39/25/407383925.db2.gz AQYVFVYCZXWARN-IAGOWNOFSA-N 0 3 304.434 1.905 10 0 DDAEHN C[C@H](NC(C)(C)CNC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000109275903 407397000 /nfs/dbraw/zinc/39/70/00/407397000.db2.gz QUZZMNYKLXNGJO-GXTWGEPZSA-N 0 3 303.406 1.368 10 0 DDAEHN CC(=O)c1ccccc1NC(=O)CN1C[C@H]2CCCN2C[C@H]1C ZINC000113267650 407485753 /nfs/dbraw/zinc/48/57/53/407485753.db2.gz JLUVJSXHHIPBBO-UKRRQHHQSA-N 0 3 315.417 1.996 10 0 DDAEHN N[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccccc1)C1CCOCC1 ZINC000261682837 407578201 /nfs/dbraw/zinc/57/82/01/407578201.db2.gz HCMQRKYSNPJUIU-PMPSAXMXSA-N 0 3 304.390 1.387 10 0 DDAEHN C[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)N(C)c1ccccc1 ZINC000170829635 407520551 /nfs/dbraw/zinc/52/05/51/407520551.db2.gz XKTZNNMNRIKCQJ-GDBMZVCRSA-N 0 3 304.438 1.857 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)NCCCN(C)CC(F)(F)F)C1 ZINC000170830794 407521215 /nfs/dbraw/zinc/52/12/15/407521215.db2.gz RZOSPZBWESSPNO-NSHDSACASA-N 0 3 310.364 1.216 10 0 DDAEHN Cc1cccc2c1N(C(=O)C(=O)N1CC[C@@H](N(C)C)C1)CC2 ZINC000170844187 407526830 /nfs/dbraw/zinc/52/68/30/407526830.db2.gz IBEUURSWQFHPII-CQSZACIVSA-N 0 3 301.390 1.047 10 0 DDAEHN CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCCc3ccc(F)cc32)C1 ZINC000170844172 407527322 /nfs/dbraw/zinc/52/73/22/407527322.db2.gz JCGSUCIHIIOATH-CQSZACIVSA-N 0 3 319.380 1.267 10 0 DDAEHN CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000170843831 407528765 /nfs/dbraw/zinc/52/87/65/407528765.db2.gz JGEGWOXHQCVAEG-NSHDSACASA-N 0 3 318.402 1.397 10 0 DDAEHN NC1(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CCOCC1 ZINC000261898952 407659617 /nfs/dbraw/zinc/65/96/17/407659617.db2.gz RLGDVBOUVAMVFJ-LBPRGKRZSA-N 0 3 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