smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(=O)C2CCN(C)CC2)c(OC)cc1Cl ZINC000074713459 185011477 /nfs/dbraw/zinc/01/14/77/185011477.db2.gz GRQUKYXIWAOTHO-UHFFFAOYSA-N 0 3 312.797 2.638 40 0 DFABHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900672 185125485 /nfs/dbraw/zinc/12/54/85/185125485.db2.gz LFENINAJDYFKGL-YPMHNXCESA-N 0 3 316.380 2.588 40 0 DFABHN Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO ZINC000008635307 398373884 /nfs/dbraw/zinc/37/38/84/398373884.db2.gz XRRNNBPAQKGYSV-XHSDSOJGSA-N 0 3 303.450 2.638 40 0 biogenic,in-vitro DFABHN CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1csc(C2CC2)n1 ZINC000084736413 398407532 /nfs/dbraw/zinc/40/75/32/398407532.db2.gz NAGSSPVGADPGBU-SWLSCSKDSA-N 0 3 307.463 2.757 40 0 DFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000585102650 398431949 /nfs/dbraw/zinc/43/19/49/398431949.db2.gz DWWFPLPDOAZGBN-INIZCTEOSA-N 0 3 306.425 2.758 40 0 DFABHN CC(C)N1C[C@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585103422 398432326 /nfs/dbraw/zinc/43/23/26/398432326.db2.gz BVDYTKJZJQQVHZ-QFBILLFUSA-N 0 3 316.445 2.707 40 0 DFABHN O=c1c2ccccc2nc2n1CCCN(Cc1ccccc1)CC2 ZINC000585282530 398439473 /nfs/dbraw/zinc/43/94/73/398439473.db2.gz FXENZAATZJUDIW-UHFFFAOYSA-N 0 3 319.408 2.845 40 0 DFABHN Cc1cc(C)c(C)c(OC[C@@]2(O)COCCN(C3CCC3)C2)c1 ZINC000585281818 398439610 /nfs/dbraw/zinc/43/96/10/398439610.db2.gz BLVWWXDAJWTNLB-IBGZPJMESA-N 0 3 319.445 2.606 40 0 DFABHN Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)o1 ZINC000096066399 282337418 /nfs/dbraw/zinc/33/74/18/282337418.db2.gz LHAVUIPWGSOPRL-BRWVUGGUSA-N 0 3 313.401 2.773 40 0 DFABHN O[C@@]1(CN[C@H]2CCCOc3cc4c(cc32)CCCC4)CCOC1 ZINC000090848490 398493649 /nfs/dbraw/zinc/49/36/49/398493649.db2.gz XWSHJFPEZGRVSU-PKOBYXMFSA-N 0 3 317.429 2.520 40 0 DFABHN CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225650020 186286639 /nfs/dbraw/zinc/28/66/39/186286639.db2.gz WBASAGFWKAIDJO-QGZVFWFLSA-N 0 3 308.422 2.771 40 0 DFABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccco4)C3)cc(N)n2n1 ZINC000072339769 191126057 /nfs/dbraw/zinc/12/60/57/191126057.db2.gz NUEVISOXBRSMRS-CYBMUJFWSA-N 0 3 311.389 2.593 40 0 DFABHN CNc1cc(Nc2nccc([C@H]3CCCN3C(C)C)n2)ncn1 ZINC000072377456 191139190 /nfs/dbraw/zinc/13/91/90/191139190.db2.gz YYSJNHVPSKFBNE-CYBMUJFWSA-N 0 3 313.409 2.597 40 0 DFABHN Cn1nc([C@@H]2CCCN(Cc3ccsc3)C2)c2nccnc21 ZINC000072393846 191150153 /nfs/dbraw/zinc/15/01/53/191150153.db2.gz DCDVTJNMPHGBLP-CYBMUJFWSA-N 0 3 313.430 2.804 40 0 DFABHN CCOc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000072395117 191150159 /nfs/dbraw/zinc/15/01/59/191150159.db2.gz NQBNJDZKHBXZHL-CRAIPNDOSA-N 0 3 316.401 2.729 40 0 DFABHN CN1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000174386055 198328544 /nfs/dbraw/zinc/32/85/44/198328544.db2.gz ZEHFONKTJQEBPC-UHFFFAOYSA-N 0 3 301.217 2.951 40 0 DFABHN Cc1cn2c(CN[C@@H](C)[C@H](C)n3cccn3)c(C)nc2s1 ZINC000078789713 398987426 /nfs/dbraw/zinc/98/74/26/398987426.db2.gz QXXBAEDLZBCSAC-AAEUAGOBSA-N 0 3 303.435 2.948 40 0 DFABHN Cc1ccc(CNC[C@H]2COC3(CCOCC3)O2)cc1Cl ZINC000195449600 201390429 /nfs/dbraw/zinc/39/04/29/201390429.db2.gz ZIFLOSQHHVUVQT-AWEZNQCLSA-N 0 3 311.809 2.660 40 0 DFABHN Fc1ccc(OCCN2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000257299667 203022749 /nfs/dbraw/zinc/02/27/49/203022749.db2.gz RRABZKMRGWKEAX-CQSZACIVSA-N 0 3 301.365 2.874 40 0 DFABHN Cc1cc2nc(C3CCN(Cc4c[nH]nc4C)CC3)cc(C)n2n1 ZINC000257291606 203016818 /nfs/dbraw/zinc/01/68/18/203016818.db2.gz QHVHGTYFTDBOOM-UHFFFAOYSA-N 0 3 324.432 2.757 40 0 DFABHN CCCCc1ncc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)[nH]1 ZINC000257312807 203036758 /nfs/dbraw/zinc/03/67/58/203036758.db2.gz UPPOODLJZQPYOF-RDJZCZTQSA-N 0 3 307.438 2.522 40 0 DFABHN c1ccc(CCN2CC3(C2)CO[C@H](Cc2cccnc2)C3)cc1 ZINC000257323505 203046722 /nfs/dbraw/zinc/04/67/22/203046722.db2.gz WKMCGMVDNNZGNC-LJQANCHMSA-N 0 3 308.425 2.958 40 0 DFABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257342844 203063979 /nfs/dbraw/zinc/06/39/79/203063979.db2.gz ZQIVJWAWKFXPQR-QGZVFWFLSA-N 0 3 324.428 2.558 40 0 DFABHN c1ncc(CN2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000257341839 203064846 /nfs/dbraw/zinc/06/48/46/203064846.db2.gz ZMDGQNPHUSUISX-INIZCTEOSA-N 0 3 322.412 2.649 40 0 DFABHN CCC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](C)C2)cc1 ZINC000016739468 182059277 /nfs/dbraw/zinc/05/92/77/182059277.db2.gz XHMQPFJPUWCIMQ-GDBMZVCRSA-N 0 3 305.418 2.751 40 0 DFABHN Cc1c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cnn1C ZINC000019553717 182129188 /nfs/dbraw/zinc/12/91/88/182129188.db2.gz NFAGVUOJZLATLT-HNNXBMFYSA-N 0 3 309.417 2.984 40 0 DFABHN Cc1nc([C@H](Cc2ccsc2)NC(=O)C(C)(C)N)sc1C ZINC000019559661 182130187 /nfs/dbraw/zinc/13/01/87/182130187.db2.gz HOULLCNBYKVEGN-LBPRGKRZSA-N 0 3 323.487 2.959 40 0 DFABHN Cc1cc(N(C)C)cc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000019570085 182131446 /nfs/dbraw/zinc/13/14/46/182131446.db2.gz VVEBGHLUWRZRSB-OAHLLOKOSA-N 0 3 301.434 2.962 40 0 DFABHN OC1CCN(Cc2c3ncccc3[nH]c2-c2cccnc2)CC1 ZINC000019717973 182137649 /nfs/dbraw/zinc/13/76/49/182137649.db2.gz KCWYROZQQQWQBW-UHFFFAOYSA-N 0 3 308.385 2.582 40 0 DFABHN COCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038756620 183009319 /nfs/dbraw/zinc/00/93/19/183009319.db2.gz ORHJHXOLNXBBHD-UHFFFAOYSA-N 0 3 304.434 2.685 40 0 DFABHN CC[C@@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000012239725 542419835 /nfs/dbraw/zinc/41/98/35/542419835.db2.gz QXLALDRJHZKAJZ-INIZCTEOSA-N 0 3 304.409 2.848 40 0 DFABHN CNC(=O)c1ccc(CN2CC[C@@H](OCCC(C)C)C2)cc1 ZINC000083247876 542502913 /nfs/dbraw/zinc/50/29/13/542502913.db2.gz IZVSYGOIIOKBDQ-QGZVFWFLSA-N 0 3 304.434 2.683 40 0 DFABHN Cc1n[nH]cc1CNc1cccc(CN2CCC(CO)CC2)c1 ZINC000084028306 542505209 /nfs/dbraw/zinc/50/52/09/542505209.db2.gz IKEWSBUIDGXNQC-UHFFFAOYSA-N 0 3 314.433 2.535 40 0 DFABHN Cn1cc([C@H]2OCC[C@H]2CNCc2csc(C3CC3)n2)cn1 ZINC000084317598 542507690 /nfs/dbraw/zinc/50/76/90/542507690.db2.gz KOWFLXVNEKTSJS-WFASDCNBSA-N 0 3 318.446 2.621 40 0 DFABHN S=C(NCCCc1ccccc1)NCCN1CCCCC1 ZINC000408585074 257229735 /nfs/dbraw/zinc/22/97/35/257229735.db2.gz BXPIPLQQMPKIJS-UHFFFAOYSA-N 0 3 305.491 2.569 40 0 DFABHN NC(=O)[C@@H]1CC[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000113543589 542567803 /nfs/dbraw/zinc/56/78/03/542567803.db2.gz JESCETIFNOFKEU-IRXDYDNUSA-N 0 3 314.360 2.683 40 0 DFABHN O=C(c1cccc(F)c1)N1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000169310393 542755696 /nfs/dbraw/zinc/75/56/96/542755696.db2.gz AATLTRSTZYMCGM-ZMSDIMECSA-N 0 3 314.404 2.796 40 0 DFABHN CC(C)(C)OC(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC000067801302 425913225 /nfs/dbraw/zinc/91/32/25/425913225.db2.gz SSFSZZSVVFOCKE-UHFFFAOYSA-N 0 3 305.422 2.818 40 0 DFABHN COc1cccc(C[C@H](N)c2cccc(OC)c2OC)c1OC ZINC000002041912 425588047 /nfs/dbraw/zinc/58/80/47/425588047.db2.gz AIEJFYBNOQOFPN-AWEZNQCLSA-N 0 3 317.385 2.964 40 0 DFABHN C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)Nc1ccccc1C2=O ZINC000019576373 425790529 /nfs/dbraw/zinc/79/05/29/425790529.db2.gz CGRCPNKISDEKNO-JXFKEZNVSA-N 0 3 320.392 2.960 40 0 DFABHN CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)CNCc1ccccn1)=CC2 ZINC000013037814 425746729 /nfs/dbraw/zinc/74/67/29/425746729.db2.gz VJMNNNJDUNTRJC-SZMVWBNQSA-N 0 3 316.445 2.541 40 0 DFABHN CCC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](C)C2)cc1 ZINC000035982072 425844969 /nfs/dbraw/zinc/84/49/69/425844969.db2.gz XHMQPFJPUWCIMQ-GOEBONIOSA-N 0 3 305.418 2.751 40 0 DFABHN C[C@@H](NC(=O)N[C@@H]1CCCc2occc21)C1=CCN(C)CC1 ZINC000272864951 268252539 /nfs/dbraw/zinc/25/25/39/268252539.db2.gz VSAUPIDHWUSCSD-IUODEOHRSA-N 0 3 303.406 2.607 40 0 DFABHN CC(=O)N1CCCN(Cc2c3cccnc3[nH]c2C(C)C)CC1 ZINC000072393723 426015957 /nfs/dbraw/zinc/01/59/57/426015957.db2.gz ULCLZCUNJUWDIW-UHFFFAOYSA-N 0 3 314.433 2.741 40 0 DFABHN CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 ZINC000108533893 426018190 /nfs/dbraw/zinc/01/81/90/426018190.db2.gz VHQFZXJPOFUZNX-CRAIPNDOSA-N 0 3 304.409 2.906 40 0 DFABHN OCC1(NCc2cnc(-c3ccsc3)s2)CCOCC1 ZINC000084662927 426242867 /nfs/dbraw/zinc/24/28/67/426242867.db2.gz JYAHFRHWYHCKHB-UHFFFAOYSA-N 0 3 310.444 2.503 40 0 DFABHN OCC1CCN(Cc2cccc(NCc3cscn3)c2)CC1 ZINC000086258257 426256938 /nfs/dbraw/zinc/25/69/38/426256938.db2.gz NXFAAUGFCBRAFL-UHFFFAOYSA-N 0 3 317.458 2.960 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@H]12 ZINC000096058425 426394519 /nfs/dbraw/zinc/39/45/19/426394519.db2.gz BCYPBELOXVVJNR-HKUYNNGSSA-N 0 3 310.397 2.768 40 0 DFABHN CCOc1ncnc2c1CCN(Cc1ccc(C)s1)CC2 ZINC000096058758 426394638 /nfs/dbraw/zinc/39/46/38/426394638.db2.gz OIUQNRXOZUVWHE-UHFFFAOYSA-N 0 3 303.431 2.846 40 0 DFABHN Cc1ccc(CN2CCc3ncnc(N4CCCC4)c3CC2)o1 ZINC000096058718 426395205 /nfs/dbraw/zinc/39/52/05/426395205.db2.gz GXOSOQJANCIPEO-UHFFFAOYSA-N 0 3 312.417 2.579 40 0 DFABHN Fc1cccc(CN2C[C@@H]3CN(c4cnccn4)CC[C@@H]3C2)c1 ZINC000096081507 426396529 /nfs/dbraw/zinc/39/65/29/426396529.db2.gz HVTIOBJMPARZLD-HZPDHXFCSA-N 0 3 312.392 2.574 40 0 DFABHN Cn1cc(CN2CCC3(CC(Oc4cccnc4)C3)CC2)cn1 ZINC000096159345 426403823 /nfs/dbraw/zinc/40/38/23/426403823.db2.gz YBQPUEOCSPJVMU-UHFFFAOYSA-N 0 3 312.417 2.639 40 0 DFABHN Cc1ccc(CN2CCc3ncnc(N(C)C)c3CC2)s1 ZINC000096187676 426404596 /nfs/dbraw/zinc/40/45/96/426404596.db2.gz GQLALUDLOXWNAJ-UHFFFAOYSA-N 0 3 302.447 2.513 40 0 DFABHN COc1ccc(-c2nc([C@@H](N)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000095533657 426373189 /nfs/dbraw/zinc/37/31/89/426373189.db2.gz FGEMBNQBGIUGSV-HNNXBMFYSA-N 0 3 310.357 2.537 40 0 DFABHN CC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096038507 426389908 /nfs/dbraw/zinc/38/99/08/426389908.db2.gz SPEJHQCGCZPXKV-WMZOPIPTSA-N 0 3 320.433 2.662 40 0 DFABHN Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)o1 ZINC000096040911 426391541 /nfs/dbraw/zinc/39/15/41/426391541.db2.gz CPIUKNXAKDBHHH-MCIONIFRSA-N 0 3 305.403 2.934 40 0 DFABHN Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)c1 ZINC000096055138 426392026 /nfs/dbraw/zinc/39/20/26/426392026.db2.gz VVSTWMQQFNBYAU-FUHWJXTLSA-N 0 3 316.376 2.756 40 0 DFABHN Cc1ccc(CN2C[C@@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)s1 ZINC000096057622 426393220 /nfs/dbraw/zinc/39/32/20/426393220.db2.gz JHOWWPNNWUGECB-NWANDNLSSA-N 0 3 319.430 2.895 40 0 DFABHN Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[C@@H](CN(C)C)O2 ZINC000096216891 426408150 /nfs/dbraw/zinc/40/81/50/426408150.db2.gz BWSOJBLXOLZKPX-WMLDXEAASA-N 0 3 322.474 2.772 40 0 DFABHN c1csc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096218651 426409624 /nfs/dbraw/zinc/40/96/24/426409624.db2.gz WQMSIRWAGYLTBG-WBVHZDCISA-N 0 3 316.426 2.956 40 0 DFABHN Cc1c(CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cnn1C ZINC000195555547 426538647 /nfs/dbraw/zinc/53/86/47/426538647.db2.gz RKHIQCNLZCQKGF-DOMZBBRYSA-N 0 3 322.453 2.606 40 0 DFABHN Cc1cccc([C@@H](NC(=O)C[C@H]2CNCCO2)C(C)(C)C)c1 ZINC000195543644 426540079 /nfs/dbraw/zinc/54/00/79/426540079.db2.gz VQODBJPPTSFOAA-DOTOQJQBSA-N 0 3 304.434 2.577 40 0 DFABHN CCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000225706515 426607980 /nfs/dbraw/zinc/60/79/80/426607980.db2.gz XHRZRZDBRCBVRN-UHFFFAOYSA-N 0 3 320.433 2.915 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@@H]12 ZINC000248114197 426981792 /nfs/dbraw/zinc/98/17/92/426981792.db2.gz IDOZTHVDEJBFEB-IEBWSBKVSA-N 0 3 310.397 2.768 40 0 DFABHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000251993667 427170516 /nfs/dbraw/zinc/17/05/16/427170516.db2.gz VKMJECAVNZFHJJ-ZWKOTPCHSA-N 0 3 313.445 2.718 40 0 DFABHN c1csc(CN2CC[C@H]3CN(Cc4cccnc4)CC[C@H]32)n1 ZINC000253601471 427216438 /nfs/dbraw/zinc/21/64/38/427216438.db2.gz BAPCCJNRVAAEOP-JKSUJKDBSA-N 0 3 314.458 2.635 40 0 DFABHN Cn1nccc1CN1CCC[C@@H](Cc2nccn3cccc23)CC1 ZINC000257208724 427309372 /nfs/dbraw/zinc/30/93/72/427309372.db2.gz BNKCSYRNWCZQIY-MRXNPFEDSA-N 0 3 323.444 2.913 40 0 DFABHN Cc1cc(C[C@H]2COCCN(CCc3ccccc3)C2)ncn1 ZINC000257219644 427313508 /nfs/dbraw/zinc/31/35/08/427313508.db2.gz DHOJZCZBMTYQKC-GOSISDBHSA-N 0 3 311.429 2.519 40 0 DFABHN c1c[nH]c(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)n1 ZINC000257212082 427313966 /nfs/dbraw/zinc/31/39/66/427313966.db2.gz CBVVLRNDDOLBQY-OAHLLOKOSA-N 0 3 320.400 2.641 40 0 DFABHN CN1CCCC[C@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1 ZINC000257228447 427318366 /nfs/dbraw/zinc/31/83/66/427318366.db2.gz FTWWDFZAWLHMJR-LJQANCHMSA-N 0 3 315.461 2.737 40 0 DFABHN CN(C)C(=O)CN1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000257264913 427329345 /nfs/dbraw/zinc/32/93/45/427329345.db2.gz LWMKXZVBHIWIAW-OAHLLOKOSA-N 0 3 311.429 2.578 40 0 DFABHN c1cc2ccc(C[C@@H]3COCCN(Cc4cnc[nH]4)C3)cc2o1 ZINC000257326096 427331907 /nfs/dbraw/zinc/33/19/07/427331907.db2.gz WVUPRUNEOUUFSQ-HNNXBMFYSA-N 0 3 311.385 2.847 40 0 DFABHN Clc1ccsc1CN[C@H]1CCCN(c2ncccn2)C1 ZINC000193010873 427650890 /nfs/dbraw/zinc/65/08/90/427650890.db2.gz LHKFCXJISIOEQN-NSHDSACASA-N 0 3 308.838 2.950 40 0 DFABHN Cc1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@@H](C)C3 ZINC000004848707 274854979 /nfs/dbraw/zinc/85/49/79/274854979.db2.gz SVALUENWPLKUMZ-SNVBAGLBSA-N 0 3 302.447 2.534 40 0 DFABHN CN1CCC2(CC1)CN(Cc1ccccn1)Cc1ccccc1O2 ZINC000072394175 277035615 /nfs/dbraw/zinc/03/56/15/277035615.db2.gz OEOFKFDDLCMIFY-UHFFFAOYSA-N 0 3 323.440 2.941 40 0 DFABHN CC[C@H](N)C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000195554807 323284441 /nfs/dbraw/zinc/28/44/41/323284441.db2.gz XBGJIPXVRJQWHW-JSGCOSHPSA-N 0 3 310.825 2.695 40 0 DFABHN c1cc(CN2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cs1 ZINC000306134218 231086964 /nfs/dbraw/zinc/08/69/64/231086964.db2.gz NFYNUHAYNSQBGV-ARFHVFGLSA-N 0 3 315.442 2.702 40 0 DFABHN c1coc(CN2C[C@@H]3Cc4nc(NCC5CC5)ncc4[C@@H]3C2)c1 ZINC000306135951 231087446 /nfs/dbraw/zinc/08/74/46/231087446.db2.gz PFAQMQIIIRWRQL-XJKSGUPXSA-N 0 3 310.401 2.663 40 0 DFABHN CC(C)(C)OC(=O)NCc1ccc(Br)cc1CN ZINC000090608757 185306349 /nfs/dbraw/zinc/30/63/49/185306349.db2.gz PCVVVRABWXFYJL-UHFFFAOYSA-N 0 3 315.211 2.933 40 0 DFABHN CC(C)(C)c1n[nH]cc1CN1CC[C@@]2(C)NC(=O)CCCC[C@@H]12 ZINC000019713389 398408493 /nfs/dbraw/zinc/40/84/93/398408493.db2.gz ZZGDIQXQSRZMCX-RDTXWAMCSA-N 0 3 318.465 2.730 40 0 DFABHN O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCc1cccnc1 ZINC000585289353 398439642 /nfs/dbraw/zinc/43/96/42/398439642.db2.gz QEHYNUPYHAXRPL-RCCFBDPRSA-N 0 3 316.376 2.671 40 0 DFABHN Cc1ccc(C)c2[nH]c(=O)c(CN[C@H]3CCCC[C@@H]3O)cc12 ZINC000585293351 398440238 /nfs/dbraw/zinc/44/02/38/398440238.db2.gz VJGAGKWNSMBPKW-HOTGVXAUSA-N 0 3 300.402 2.950 40 0 DFABHN CC(=O)N[C@H]1CCCN(Cc2ccncc2)[C@H]1Cc1ccccc1 ZINC000585269017 398437467 /nfs/dbraw/zinc/43/74/67/398437467.db2.gz HRWYXLNHJUDVMO-PMACEKPBSA-N 0 3 323.440 2.793 40 0 DFABHN CN(C)CCN(C)C(=O)NCCc1csc2ccccc12 ZINC000083851007 192387014 /nfs/dbraw/zinc/38/70/14/192387014.db2.gz BQBUBGLVZVMSTP-UHFFFAOYSA-N 0 3 305.447 2.647 40 0 DFABHN CN1CCCC[C@@]1(C)C(=O)N1CCC(c2ccccn2)CC1 ZINC000072367321 191136378 /nfs/dbraw/zinc/13/63/78/191136378.db2.gz QXFNMDQBIBQOIO-SFHVURJKSA-N 0 3 301.434 2.662 40 0 DFABHN CN1CCCC[C@]1(C)C(=O)N1CCC(c2ccccn2)CC1 ZINC000072367320 191137146 /nfs/dbraw/zinc/13/71/46/191137146.db2.gz QXFNMDQBIBQOIO-GOSISDBHSA-N 0 3 301.434 2.662 40 0 DFABHN Cc1c(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cnn1C ZINC000072369830 191139039 /nfs/dbraw/zinc/13/90/39/191139039.db2.gz MXBBZBLWGBYZDC-OAHLLOKOSA-N 0 3 323.400 2.768 40 0 DFABHN Cc1cc(C(=O)NCc2ccccc2)nc(C2CCN(C)CC2)n1 ZINC000072369308 191139093 /nfs/dbraw/zinc/13/90/93/191139093.db2.gz LCMIEALYDIAJLH-UHFFFAOYSA-N 0 3 324.428 2.524 40 0 DFABHN OCCN1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072379397 191141674 /nfs/dbraw/zinc/14/16/74/191141674.db2.gz ODOHLOXUSBKKNZ-OAHLLOKOSA-N 0 3 303.793 2.926 40 0 DFABHN Cc1csc(Nc2cccc([C@H]3CCCN3CCO)n2)n1 ZINC000072380437 191142776 /nfs/dbraw/zinc/14/27/76/191142776.db2.gz VLTSJDWUUGVGHU-CYBMUJFWSA-N 0 3 304.419 2.719 40 0 DFABHN Cc1csc(Nc2cccc([C@@H]3CCCN3CCO)n2)n1 ZINC000072380436 191143353 /nfs/dbraw/zinc/14/33/53/191143353.db2.gz VLTSJDWUUGVGHU-ZDUSSCGKSA-N 0 3 304.419 2.719 40 0 DFABHN c1cc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)ccn1 ZINC000072389951 191148138 /nfs/dbraw/zinc/14/81/38/191148138.db2.gz JJMGGPSFWWOLRU-INIZCTEOSA-N 0 3 321.384 2.906 40 0 DFABHN O[C@H](CNCc1cccnc1)COc1ccc2ccccc2c1 ZINC000004934532 181174826 /nfs/dbraw/zinc/17/48/26/181174826.db2.gz OOFWPLXJSGDHKB-GOSISDBHSA-N 0 3 308.381 2.764 40 0 DFABHN C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(F)c1F ZINC000078898572 398996237 /nfs/dbraw/zinc/99/62/37/398996237.db2.gz IYTWIVRGUDROOB-ABAIWWIYSA-N 0 3 308.372 2.701 40 0 DFABHN C[C@H]1C[C@H](N[C@@H]2c3ccccc3C[C@@H]2O)CN1Cc1ccccc1 ZINC000079100120 399016548 /nfs/dbraw/zinc/01/65/48/399016548.db2.gz XHIMZBOSXRMGNQ-CEDBRAGKSA-N 0 3 322.452 2.897 40 0 DFABHN Cc1ccc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 ZINC000257278139 203005415 /nfs/dbraw/zinc/00/54/15/203005415.db2.gz OAYWEBXSSQLWGY-MRXNPFEDSA-N 0 3 324.428 2.789 40 0 DFABHN CN(C)c1ncc(CN2CCC[C@@H]2CCc2ccncc2)cn1 ZINC000257301508 203025043 /nfs/dbraw/zinc/02/50/43/203025043.db2.gz RYTSTBTUJQPHBV-QGZVFWFLSA-N 0 3 311.433 2.535 40 0 DFABHN COc1ccc(CN2CC[C@H](c3n[nH]cc3C)C2)c(OC)c1 ZINC000257290659 203015223 /nfs/dbraw/zinc/01/52/23/203015223.db2.gz QDVHRKLJNAIYET-AWEZNQCLSA-N 0 3 301.390 2.725 40 0 DFABHN Cc1cc(N)cc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 ZINC000257290456 203016139 /nfs/dbraw/zinc/01/61/39/203016139.db2.gz QDALUEBKYJXOQO-LKGOPFMKSA-N 0 3 323.396 2.586 40 0 DFABHN COCCN1CCC[C@@H]1c1cccc(-c2cnc(C)n2C)n1 ZINC000257329402 203053425 /nfs/dbraw/zinc/05/34/25/203053425.db2.gz XJVMLADLIQGASD-MRXNPFEDSA-N 0 3 300.406 2.574 40 0 DFABHN CN1CCC[C@@H](c2cncc(C(=O)NCC3CCCCC3)n2)C1 ZINC000257329004 203053445 /nfs/dbraw/zinc/05/34/45/203053445.db2.gz XHYVYDDCLQGCRM-OAHLLOKOSA-N 0 3 316.449 2.596 40 0 DFABHN OCCOc1cccc(CN2CCC[C@H](c3nccs3)C2)c1 ZINC000257332421 203054540 /nfs/dbraw/zinc/05/45/40/203054540.db2.gz XXGSKEGUXXDBGT-HNNXBMFYSA-N 0 3 318.442 2.894 40 0 DFABHN c1cc(CN2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)cs1 ZINC000257321519 203044524 /nfs/dbraw/zinc/04/45/24/203044524.db2.gz WBZWDJMFFJBHIU-QLFBSQMISA-N 0 3 300.431 2.861 40 0 DFABHN Cc1ccccc1CNC(=O)c1cncc([C@H]2CCCN(C)C2)n1 ZINC000257342511 203064115 /nfs/dbraw/zinc/06/41/15/203064115.db2.gz ZOZYIUOCTAYYDN-INIZCTEOSA-N 0 3 324.428 2.524 40 0 DFABHN c1ncc(CN2CCOC[C@H](Cc3ccc4ncccc4c3)C2)[nH]1 ZINC000257341840 203064942 /nfs/dbraw/zinc/06/49/42/203064942.db2.gz ZMDGQNPHUSUISX-MRXNPFEDSA-N 0 3 322.412 2.649 40 0 DFABHN CCS[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000080558307 399158253 /nfs/dbraw/zinc/15/82/53/399158253.db2.gz MPDHBZJJHBQJDG-QLFBSQMISA-N 0 3 311.495 2.540 40 0 DFABHN CCC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000016739460 182059477 /nfs/dbraw/zinc/05/94/77/182059477.db2.gz KKFOLMRJEYQFJU-BFYDXBDKSA-N 0 3 319.445 2.997 40 0 DFABHN CNc1cc([C@H](N)Cc2ccccc2)nc(-c2cccnc2)n1 ZINC000019592146 182131774 /nfs/dbraw/zinc/13/17/74/182131774.db2.gz HNWPPZBAXIBCAN-OAHLLOKOSA-N 0 3 305.385 2.823 40 0 DFABHN CC(C)Oc1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000063149464 184273604 /nfs/dbraw/zinc/27/36/04/184273604.db2.gz DDWUSTHEDNLHDS-UHFFFAOYSA-N 0 3 307.463 2.854 40 0 DFABHN COc1ccc(-c2cccc3nc([C@H]4CNCCN4C)cn32)cc1 ZINC000306138257 533183190 /nfs/dbraw/zinc/18/31/90/533183190.db2.gz RTPQGUTZNBJFBF-GOSISDBHSA-N 0 3 322.412 2.586 40 0 DFABHN Cc1ccc(CNC(=O)c2cncc([C@@H]3CCCN(C)C3)n2)cc1 ZINC000257271358 256621098 /nfs/dbraw/zinc/62/10/98/256621098.db2.gz MXYRYANVRWZUSN-MRXNPFEDSA-N 0 3 324.428 2.524 40 0 DFABHN CCO[C@@H]1C[C@H](NC(=O)NC2CCN(C)CC2)C12CCCCC2 ZINC000078829577 286358153 /nfs/dbraw/zinc/35/81/53/286358153.db2.gz QMMHDSZQZOTIBY-JKSUJKDBSA-N 0 3 323.481 2.508 40 0 DFABHN CC[C@@H]1CN(CCCS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000084736440 287194001 /nfs/dbraw/zinc/19/40/01/287194001.db2.gz MZCMPDBRUZDJRQ-WBVHZDCISA-N 0 3 309.475 2.937 40 0 DFABHN CN(C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000000002122 425530437 /nfs/dbraw/zinc/53/04/37/425530437.db2.gz LCAAMXMULMCKLJ-UHFFFAOYSA-N 0 3 307.397 2.549 40 0 in-man DFABHN N[C@H](CCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608373 425583302 /nfs/dbraw/zinc/58/33/02/425583302.db2.gz JCHQLSDKMKCVTK-CALCHBBNSA-N 0 3 310.397 2.577 40 0 DFABHN CCN(CCO)[C@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000001667057 425585614 /nfs/dbraw/zinc/58/56/14/425585614.db2.gz CTWREZPMNIHLLW-RTBURBONSA-N 0 3 315.413 2.784 40 0 DFABHN C[C@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCC1 ZINC000013710078 425760091 /nfs/dbraw/zinc/76/00/91/425760091.db2.gz VYEICPVSVPZZEK-ZDUSSCGKSA-N 0 3 310.825 2.709 40 0 DFABHN Cc1cc(NC2CCN(Cc3ccccc3)CC2)n2ncnc2n1 ZINC000035311017 425843955 /nfs/dbraw/zinc/84/39/55/425843955.db2.gz JBZIGUMTFDLPHS-UHFFFAOYSA-N 0 3 322.416 2.509 40 0 DFABHN Cc1cc2c(cc1CN1CC[C@](O)(c3ccccc3)C1)OCO2 ZINC000036743621 425846283 /nfs/dbraw/zinc/84/62/83/425846283.db2.gz AQEJFWIPAGKVCM-LJQANCHMSA-N 0 3 311.381 2.817 40 0 DFABHN c1cncc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107752003 426001996 /nfs/dbraw/zinc/00/19/96/426001996.db2.gz FNQHSACBUWAPRU-OALUTQOASA-N 0 3 316.445 2.879 40 0 DFABHN COc1ccccc1CN1CCC2(CCC(=O)N(C)C2)CC1 ZINC000108524638 426017935 /nfs/dbraw/zinc/01/79/35/426017935.db2.gz KNYRYHWYCZKVGP-UHFFFAOYSA-N 0 3 302.418 2.530 40 0 DFABHN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NC1CCN(C)CC1 ZINC000113970719 426125453 /nfs/dbraw/zinc/12/54/53/426125453.db2.gz ZDCLRQYZPFSFGC-MRXNPFEDSA-N 0 3 304.434 2.671 40 0 DFABHN CC[C@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000078772462 426185856 /nfs/dbraw/zinc/18/58/56/426185856.db2.gz YJLQRQWEMRDRRP-DOTOQJQBSA-N 0 3 303.450 2.941 40 0 DFABHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000083847916 426230914 /nfs/dbraw/zinc/23/09/14/426230914.db2.gz SLLBNMZXINMZLL-SMDDNHRTSA-N 0 3 310.488 2.631 40 0 DFABHN CCC[C@@H](C)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000084740174 426244630 /nfs/dbraw/zinc/24/46/30/426244630.db2.gz RSSQMASGJWZJLB-MRXNPFEDSA-N 0 3 318.461 2.961 40 0 DFABHN O=C(c1cc2occc2[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000085472902 426252586 /nfs/dbraw/zinc/25/25/86/426252586.db2.gz GXVUKIDISPUOTA-UHFFFAOYSA-N 0 3 301.390 2.851 40 0 DFABHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)nn1 ZINC000096064058 426394074 /nfs/dbraw/zinc/39/40/74/426394074.db2.gz BJBJTPSAQOAOQQ-CABCVRRESA-N 0 3 300.431 2.700 40 0 DFABHN Cc1ccc(CN2C[C@@H](c3nnc(C)o3)C[C@H]3OCC[C@H]32)s1 ZINC000096065654 426395293 /nfs/dbraw/zinc/39/52/93/426395293.db2.gz SKTKCJLNYOPESI-NWANDNLSSA-N 0 3 319.430 2.895 40 0 DFABHN CCN(C)c1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 ZINC000096058794 426395394 /nfs/dbraw/zinc/39/53/94/426395394.db2.gz NXIFWSLVDOVYEO-UHFFFAOYSA-N 0 3 314.408 2.673 40 0 DFABHN COCCN1CCCC[C@@]12CC(=O)N(c1ccc(C)cc1)C2 ZINC000096071661 426395807 /nfs/dbraw/zinc/39/58/07/426395807.db2.gz QNBOISRDTWKLIH-SFHVURJKSA-N 0 3 302.418 2.603 40 0 DFABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccccc1OC)C2 ZINC000096039136 426389495 /nfs/dbraw/zinc/38/94/95/426389495.db2.gz KVTRGWAYQHOSKL-MSOLQXFVSA-N 0 3 305.418 2.713 40 0 DFABHN Cc1ccsc1C[N@H+]1CC[C@H]2C[C@H](c3nnc(C)[n-]3)O[C@@H]2C1 ZINC000096046224 426390446 /nfs/dbraw/zinc/39/04/46/426390446.db2.gz OKPDBLRVVHJDSH-BFHYXJOUSA-N 0 3 318.446 2.835 40 0 DFABHN Cc1ccsc1C[N@@H+]1CC[C@H]2C[C@H](c3nnc(C)[n-]3)O[C@@H]2C1 ZINC000096046224 426390450 /nfs/dbraw/zinc/39/04/50/426390450.db2.gz OKPDBLRVVHJDSH-BFHYXJOUSA-N 0 3 318.446 2.835 40 0 DFABHN CC(C)CN1CCC2(CCN(Cc3cccnc3)CC2)C1=O ZINC000096046772 426391666 /nfs/dbraw/zinc/39/16/66/426391666.db2.gz SWBBQXBGVHYQTP-UHFFFAOYSA-N 0 3 301.434 2.552 40 0 DFABHN COc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)cc1 ZINC000096049966 426392808 /nfs/dbraw/zinc/39/28/08/426392808.db2.gz WTPXRQYRQQGLDA-GOSISDBHSA-N 0 3 302.418 2.672 40 0 DFABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1ccccc1 ZINC000096053588 426393414 /nfs/dbraw/zinc/39/34/14/426393414.db2.gz LSJMUAGSARVWMQ-YJBOKZPZSA-N 0 3 310.372 2.921 40 0 DFABHN c1cc(CN2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)co1 ZINC000096207053 426407743 /nfs/dbraw/zinc/40/77/43/426407743.db2.gz SQLWMSCXZABUPF-SJLPKXTDSA-N 0 3 313.401 2.910 40 0 DFABHN Cc1noc(C)c1CN1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC000096208988 426407842 /nfs/dbraw/zinc/40/78/42/426407842.db2.gz PLEQIYCCUXQSCP-MRXNPFEDSA-N 0 3 320.433 2.842 40 0 DFABHN O=C(c1ccc[nH]1)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 ZINC000096214908 426408357 /nfs/dbraw/zinc/40/83/57/426408357.db2.gz FLYNTEVQYKYPRJ-LJQANCHMSA-N 0 3 324.428 2.681 40 0 DFABHN c1csc(CN2CC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)c1 ZINC000096218961 426409654 /nfs/dbraw/zinc/40/96/54/426409654.db2.gz BJJMMGAIUOGYAJ-WBVHZDCISA-N 0 3 315.442 2.989 40 0 DFABHN CCC(=O)N1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC000096221034 426409833 /nfs/dbraw/zinc/40/98/33/426409833.db2.gz ZJIBCZHPYJJXRU-KRWDZBQOSA-N 0 3 316.445 2.679 40 0 DFABHN Cc1cc(C(=O)NCCCNCc2cccnc2)c(F)cc1F ZINC000195542761 426539983 /nfs/dbraw/zinc/53/99/83/426539983.db2.gz QTAJUYYJWCUTKS-UHFFFAOYSA-N 0 3 319.355 2.578 40 0 DFABHN CC(C)n1c(Cl)nc2cc(C(=O)NCCN(C)C)ccc21 ZINC000225987794 426616624 /nfs/dbraw/zinc/61/66/24/426616624.db2.gz PKLSCWBZQUNUDX-UHFFFAOYSA-N 0 3 308.813 2.562 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3nccs3)C[C@@H]12 ZINC000248136033 426984139 /nfs/dbraw/zinc/98/41/39/426984139.db2.gz OQCHDABNZFQHRS-SJLPKXTDSA-N 0 3 313.470 2.991 40 0 DFABHN CCn1nc(C)c(CN2CC[C@@H](c3nc(C)cn3C)C2)c1C ZINC000257226199 427316194 /nfs/dbraw/zinc/31/61/94/427316194.db2.gz FJPMMKHULHCONX-OAHLLOKOSA-N 0 3 301.438 2.551 40 0 DFABHN CNc1nccnc1C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000257249584 427323088 /nfs/dbraw/zinc/32/30/88/427323088.db2.gz JIZGTJLXTLBVIH-NSHDSACASA-N 0 3 302.344 2.725 40 0 DFABHN Cc1ccc(CN2CC3(C2)CO[C@@H](Cc2cncnc2)C3)cc1 ZINC000257253298 427324250 /nfs/dbraw/zinc/32/42/50/427324250.db2.gz JYIMOXOHWXTSEK-SFHVURJKSA-N 0 3 309.413 2.619 40 0 DFABHN C[C@@]1(c2cc[nH]n2)CCCN(Cc2cnc3ccccc3n2)C1 ZINC000257250244 427326040 /nfs/dbraw/zinc/32/60/40/427326040.db2.gz JLSITFHQCCWYGF-GOSISDBHSA-N 0 3 307.401 2.907 40 0 DFABHN C[C@@H]1Cc2cc(C(=O)N3CCCC[C@@H]3CN(C)C)ccc2O1 ZINC000019497949 278037681 /nfs/dbraw/zinc/03/76/81/278037681.db2.gz WQZVCCYENPAXON-CZUORRHYSA-N 0 3 302.418 2.566 40 0 DFABHN CCN(C1CCN([C@@H](C)c2cccc(C)c2)CC1)S(C)(=O)=O ZINC000078949996 185134342 /nfs/dbraw/zinc/13/43/42/185134342.db2.gz ZUTFNIVTANOOES-HNNXBMFYSA-N 0 3 324.490 2.802 40 0 DFABHN C[C@@H](c1cccnc1)N(C)C[C@H](O)COCc1ccccc1 ZINC000079311523 185164651 /nfs/dbraw/zinc/16/46/51/185164651.db2.gz FFJQATJQARTNOE-YJBOKZPZSA-N 0 3 300.402 2.652 40 0 DFABHN Cc1cccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000022927645 398421449 /nfs/dbraw/zinc/42/14/49/398421449.db2.gz ITPUKCZTUMISDI-HZPDHXFCSA-N 0 3 319.449 2.594 40 0 DFABHN Cc1cccc([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000022927650 398421509 /nfs/dbraw/zinc/42/15/09/398421509.db2.gz ITPUKCZTUMISDI-CVEARBPZSA-N 0 3 319.449 2.594 40 0 DFABHN CCN1C(=O)CC[C@]12CCCN(Cc1cnc(C)s1)CC2 ZINC000585099946 398432601 /nfs/dbraw/zinc/43/26/01/398432601.db2.gz ASZDDPNIKLONFF-INIZCTEOSA-N 0 3 307.463 2.819 40 0 DFABHN CO[C@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccc(F)cc1 ZINC000585274848 398438758 /nfs/dbraw/zinc/43/87/58/398438758.db2.gz PJJIEXOAYOSOLE-QAPCUYQASA-N 0 3 317.408 2.937 40 0 DFABHN Cc1n[nH]c(C)c1CN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585277700 398438816 /nfs/dbraw/zinc/43/88/16/398438816.db2.gz OFGMLUGDAQHXNE-ROUUACIJSA-N 0 3 317.408 2.734 40 0 DFABHN Cc1ccc2cc(CN[C@H](CO)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000585294427 398440396 /nfs/dbraw/zinc/44/03/96/398440396.db2.gz RDUIFCLBRLNXCR-SFHVURJKSA-N 0 3 322.408 2.942 40 0 DFABHN CC(C)(C)OC(=O)NC[C@H](N)c1cccc(Br)c1 ZINC000083428813 192370354 /nfs/dbraw/zinc/37/03/54/192370354.db2.gz GYXPOVYGRXGVBV-NSHDSACASA-N 0 3 315.211 2.974 40 0 DFABHN COC[C@H](O)CCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000090950108 398498597 /nfs/dbraw/zinc/49/85/97/398498597.db2.gz GKKJOMQIINNVID-SJLPKXTDSA-N 0 3 319.445 2.766 40 0 DFABHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000083572829 192373470 /nfs/dbraw/zinc/37/34/70/192373470.db2.gz CBKCEJDSHOYQQO-ILXRZTDVSA-N 0 3 319.453 2.630 40 0 DFABHN COc1cccc(CN2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000072393757 191149778 /nfs/dbraw/zinc/14/97/78/191149778.db2.gz AUOPRFYBGKQUQK-UHFFFAOYSA-N 0 3 323.400 2.741 40 0 DFABHN COc1ccc([C@H](O)[C@@H]2NC(=N)S[C@H]2c2ccccc2)cc1 ZINC000005003662 181189126 /nfs/dbraw/zinc/18/91/26/181189126.db2.gz AXNGOUSWORRIRG-JYJNAYRXSA-N 0 3 314.410 2.900 40 0 DFABHN Cc1ccc(N2C(=O)C[C@@H](N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000005103011 181203954 /nfs/dbraw/zinc/20/39/54/181203954.db2.gz YZOPMRBEEJYGBQ-NUEKZKHPSA-N 0 3 300.402 2.795 40 0 DFABHN COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000005459662 181246066 /nfs/dbraw/zinc/24/60/66/181246066.db2.gz DNIJHTXTABZFJZ-GFCCVEGCSA-N 0 3 303.333 2.918 40 0 DFABHN Cc1ccc(-c2noc(CN(C)[C@H]3CCN(C)[C@H](C)C3)n2)cc1 ZINC000078876514 398994284 /nfs/dbraw/zinc/99/42/84/398994284.db2.gz QUCUDNIHELQPTG-ZBFHGGJFSA-N 0 3 314.433 2.960 40 0 DFABHN CC1(c2cc[nH]n2)CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000257302142 203027534 /nfs/dbraw/zinc/02/75/34/203027534.db2.gz SBRQAMCGVRTZOV-UHFFFAOYSA-N 0 3 313.401 2.735 40 0 DFABHN O[C@H]1CCCOC12CCN(CCCOc1ccccc1F)CC2 ZINC000257305687 203030821 /nfs/dbraw/zinc/03/08/21/203030821.db2.gz SRBBPDZJIYEKPJ-KRWDZBQOSA-N 0 3 323.408 2.601 40 0 DFABHN CC(C)Oc1cccc(CN2CCC3(CC2)OCCC[C@H]3O)c1 ZINC000257309858 203033794 /nfs/dbraw/zinc/03/37/94/203033794.db2.gz UCRJOWIOCAKPNI-GOSISDBHSA-N 0 3 319.445 2.980 40 0 DFABHN COc1ccc([C@@H]2CNCCN2Cc2ccnn2C(C)C)cc1 ZINC000257293252 203019381 /nfs/dbraw/zinc/01/93/81/203019381.db2.gz QOSLHPVLZAGSLA-SFHVURJKSA-N 0 3 314.433 2.619 40 0 DFABHN CNc1nccnc1C[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000257329980 203053834 /nfs/dbraw/zinc/05/38/34/203053834.db2.gz XMGJBVFAZNNDQK-HNNXBMFYSA-N 0 3 311.433 2.676 40 0 DFABHN CNc1cc([C@H]2CCCN(Cc3c(C)nn(C)c3C)C2)ccn1 ZINC000257339749 203062149 /nfs/dbraw/zinc/06/21/49/203062149.db2.gz ZDANEQYRPZHAHO-INIZCTEOSA-N 0 3 313.449 2.853 40 0 DFABHN C[C@H](CO)N[C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000195553674 399185602 /nfs/dbraw/zinc/18/56/02/399185602.db2.gz IBDFXKBOVGHMDY-SWHYSGLUSA-N 0 3 314.223 2.640 40 0 DFABHN Brc1ccsc1CN[C@@H]1CCc2n[nH]cc2C1 ZINC000195564529 399186181 /nfs/dbraw/zinc/18/61/81/399186181.db2.gz NOYHVMHKLICDEE-SECBINFHSA-N 0 3 312.236 2.881 40 0 DFABHN COc1ccc(CCCN2CCOC3(CCOCC3)C2)cc1F ZINC000195573055 399188231 /nfs/dbraw/zinc/18/82/31/399188231.db2.gz MQBLRMKUYCSUPV-UHFFFAOYSA-N 0 3 323.408 2.648 40 0 DFABHN CCOc1cc(CN2CCC(CC(=O)OC)CC2)ccc1O ZINC000015423841 182001640 /nfs/dbraw/zinc/00/16/40/182001640.db2.gz FWTMJSQZNNYFFO-UHFFFAOYSA-N 0 3 307.390 2.566 40 0 DFABHN Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)N(C)CCN(C)C ZINC000019217965 182107865 /nfs/dbraw/zinc/10/78/65/182107865.db2.gz FQRQOAXIALZVKA-UHFFFAOYSA-N 0 3 301.434 2.656 40 0 DFABHN O=c1cc([C@@H]2CCCC[N@@H+]2CC2CC2)nc(-c2ccncc2)[n-]1 ZINC000019405824 182121611 /nfs/dbraw/zinc/12/16/11/182121611.db2.gz JBRRQUSJVVJKQH-INIZCTEOSA-N 0 3 310.401 2.769 40 0 DFABHN O=c1cc([C@@H]2CCCC[N@H+]2CC2CC2)nc(-c2ccncc2)[n-]1 ZINC000019405824 182121614 /nfs/dbraw/zinc/12/16/14/182121614.db2.gz JBRRQUSJVVJKQH-INIZCTEOSA-N 0 3 310.401 2.769 40 0 DFABHN CCN(CC)CCNCc1cc(Br)ccc1OC ZINC000022075414 182307933 /nfs/dbraw/zinc/30/79/33/182307933.db2.gz YKLZDOUNDVSKEE-UHFFFAOYSA-N 0 3 315.255 2.889 40 0 DFABHN Cc1cccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000035622903 182783490 /nfs/dbraw/zinc/78/34/90/182783490.db2.gz ITPUKCZTUMISDI-JKSUJKDBSA-N 0 3 319.449 2.594 40 0 DFABHN Cc1ccc(CN2CCC(C(=O)NCc3ccncc3)CC2)cc1 ZINC000009063122 256523952 /nfs/dbraw/zinc/52/39/52/256523952.db2.gz ZWTLQMJBEZWGRI-UHFFFAOYSA-N 0 3 323.440 2.918 40 0 DFABHN CCCN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216600 257125027 /nfs/dbraw/zinc/12/50/27/257125027.db2.gz FKONYWIWMBVIEX-QGZVFWFLSA-N 0 3 302.466 2.770 40 0 DFABHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1Br ZINC000000848932 425573399 /nfs/dbraw/zinc/57/33/99/425573399.db2.gz WPYKUYRNLDWLHF-LLVKDONJSA-N 0 3 311.223 2.663 40 0 DFABHN COc1cccc([C@H](Cc2ccccc2)NCCO)c1OC ZINC000001666304 425585625 /nfs/dbraw/zinc/58/56/25/425585625.db2.gz XIFMCGRBGOQUPT-INIZCTEOSA-N 0 3 301.386 2.570 40 0 DFABHN CCOc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 ZINC000009876542 425695203 /nfs/dbraw/zinc/69/52/03/425695203.db2.gz XHJMVFNLFDNTCH-CYBMUJFWSA-N 0 3 307.463 2.714 40 0 DFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccccc1 ZINC000010544201 425703879 /nfs/dbraw/zinc/70/38/79/425703879.db2.gz GXMOXCJDOLFDIK-HNNXBMFYSA-N 0 3 310.463 2.620 40 0 DFABHN C[C@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1C(=O)C1CC1 ZINC000012181022 425721294 /nfs/dbraw/zinc/72/12/94/425721294.db2.gz XXKQIROTOMQKJG-SCLBCKFNSA-N 0 3 314.429 2.503 40 0 DFABHN C[C@H]1C[C@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 ZINC000012187165 425722101 /nfs/dbraw/zinc/72/21/01/425722101.db2.gz JMINFJSLOZKTMM-MAUKXSAKSA-N 0 3 312.457 2.955 40 0 DFABHN Cc1ccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000035622905 425844477 /nfs/dbraw/zinc/84/44/77/425844477.db2.gz IRUPNPVCSZGXMP-JKSUJKDBSA-N 0 3 319.449 2.594 40 0 DFABHN C[C@@H](NC(=O)N[C@H]1CCCc2occc21)C1=CCN(C)CC1 ZINC000272864950 268252481 /nfs/dbraw/zinc/25/24/81/268252481.db2.gz VSAUPIDHWUSCSD-DOMZBBRYSA-N 0 3 303.406 2.607 40 0 DFABHN C[C@H](NC(=O)N[C@@H]1CCCc2occc21)C1=CCN(C)CC1 ZINC000272864952 268252882 /nfs/dbraw/zinc/25/28/82/268252882.db2.gz VSAUPIDHWUSCSD-SWLSCSKDSA-N 0 3 303.406 2.607 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@@H]12 ZINC000107845238 426005158 /nfs/dbraw/zinc/00/51/58/426005158.db2.gz CHYJWVKVZYFTJL-QUCCMNQESA-N 0 3 321.424 2.570 40 0 DFABHN Cc1ncsc1CN1CCC2(CC(Nc3ncccn3)C2)C1 ZINC000108526583 426017827 /nfs/dbraw/zinc/01/78/27/426017827.db2.gz FVNRVOXKZGRZNC-UHFFFAOYSA-N 0 3 315.446 2.708 40 0 DFABHN CCN1CCCC[C@@H]1CNc1cc(-c2nc(C)no2)ccn1 ZINC000084789200 426245357 /nfs/dbraw/zinc/24/53/57/426245357.db2.gz YKLNHCOGVIKHCT-CQSZACIVSA-N 0 3 301.394 2.726 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@H]12 ZINC000096058424 426394551 /nfs/dbraw/zinc/39/45/51/426394551.db2.gz NOKAQFBQZOHOFQ-VQTJNVASSA-N 0 3 307.441 2.929 40 0 DFABHN Cc1ccc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)o1 ZINC000096061080 426395418 /nfs/dbraw/zinc/39/54/18/426395418.db2.gz CLWBUMUPGUJSDZ-MRXNPFEDSA-N 0 3 324.384 2.535 40 0 DFABHN COC[C@H]1COCCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096106264 426397857 /nfs/dbraw/zinc/39/78/57/426397857.db2.gz FKORGBWGQPKFHQ-INIZCTEOSA-N 0 3 304.434 2.655 40 0 DFABHN c1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)co1 ZINC000096196879 426406805 /nfs/dbraw/zinc/40/68/05/426406805.db2.gz CPYRJRBJQKRCHH-UHFFFAOYSA-N 0 3 314.433 2.520 40 0 DFABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096038995 426389992 /nfs/dbraw/zinc/38/99/92/426389992.db2.gz ITOPJISNORFFIT-ZWKOTPCHSA-N 0 3 305.418 2.713 40 0 DFABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096047151 426391418 /nfs/dbraw/zinc/39/14/18/426391418.db2.gz QZLKWPQLAFQNOT-GOSISDBHSA-N 0 3 312.417 2.871 40 0 DFABHN c1cncc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096057007 426392074 /nfs/dbraw/zinc/39/20/74/426392074.db2.gz FNQHSACBUWAPRU-RTBURBONSA-N 0 3 316.445 2.879 40 0 DFABHN c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)ccn1 ZINC000096057010 426392670 /nfs/dbraw/zinc/39/26/70/426392670.db2.gz DUKHZAFUFCEBLM-RBUKOAKNSA-N 0 3 316.445 2.879 40 0 DFABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)N(C)C)C3)o1 ZINC000096215512 426407199 /nfs/dbraw/zinc/40/71/99/426407199.db2.gz YGHZCZOMEFWWTR-QGZVFWFLSA-N 0 3 305.422 2.558 40 0 DFABHN Cc1nc(CN2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)cs1 ZINC000096249306 426410375 /nfs/dbraw/zinc/41/03/75/426410375.db2.gz HAPMRTRXUGUEQB-IAGOWNOFSA-N 0 3 321.490 2.527 40 0 DFABHN O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1ccccn1 ZINC000096239155 426410508 /nfs/dbraw/zinc/41/05/08/426410508.db2.gz ASRXGKWEWKRWIL-KRWDZBQOSA-N 0 3 313.426 2.772 40 0 DFABHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCc2nccs2)C1 ZINC000195192154 426507994 /nfs/dbraw/zinc/50/79/94/426507994.db2.gz YJBCBEQJVQKXHY-HNNXBMFYSA-N 0 3 311.451 2.880 40 0 DFABHN COCc1nc2n(n1)CCC[C@H]2NC[C@H](C)c1ccc(F)cc1 ZINC000195573398 426538384 /nfs/dbraw/zinc/53/83/84/426538384.db2.gz VXXOWXKJPSQPMT-SWLSCSKDSA-N 0 3 318.396 2.792 40 0 DFABHN CS[C@H](CO)[C@@H](C)NCc1sccc1Br ZINC000195564536 426540067 /nfs/dbraw/zinc/54/00/67/426540067.db2.gz CQAMGOOGYZYQDR-GMSGAONNSA-N 0 3 310.282 2.713 40 0 DFABHN Cc1nc(NC2CC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000329026260 427027933 /nfs/dbraw/zinc/02/79/33/427027933.db2.gz PLGUKLJVSTZGDO-LBPRGKRZSA-N 0 3 324.428 2.975 40 0 DFABHN Cc1nc(NCCCO)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329070594 427038175 /nfs/dbraw/zinc/03/81/75/427038175.db2.gz ZIFSODKEUJUMQY-CYBMUJFWSA-N 0 3 312.417 2.531 40 0 DFABHN c1csc(COC[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)n1 ZINC000253592609 427215996 /nfs/dbraw/zinc/21/59/96/427215996.db2.gz XGSFCOYDGXLJAJ-DZKIICNBSA-N 0 3 308.447 2.549 40 0 DFABHN CN(Cc1ccccc1)C(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257222661 427316761 /nfs/dbraw/zinc/31/67/61/427316761.db2.gz DUFPEEMCHWPGQH-UHFFFAOYSA-N 0 3 320.396 2.603 40 0 DFABHN C[C@]1(c2cc[nH]n2)CCCN(Cc2cnc3ccccc3n2)C1 ZINC000257250245 427324596 /nfs/dbraw/zinc/32/45/96/427324596.db2.gz JLSITFHQCCWYGF-SFHVURJKSA-N 0 3 307.401 2.907 40 0 DFABHN Cc1cc2nccc(C3CCN(Cc4cccn4C)CC3)n2n1 ZINC000257255530 427325605 /nfs/dbraw/zinc/32/56/05/427325605.db2.gz KHVMXIJUAUQJTG-UHFFFAOYSA-N 0 3 309.417 2.756 40 0 DFABHN Cc1cc(C)c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 ZINC000412540476 429059060 /nfs/dbraw/zinc/05/90/60/429059060.db2.gz ISBDKZVKDBRCKX-HOTGVXAUSA-N 0 3 313.401 2.714 40 0 DFABHN Cn1cccc1CN1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000104998205 274896562 /nfs/dbraw/zinc/89/65/62/274896562.db2.gz MBJLVRYAWLBENY-UHFFFAOYSA-N 0 3 309.413 2.535 40 0 DFABHN CNCC(=O)Nc1nc2ccccc2n1Cc1ccccc1C ZINC000193141643 277020681 /nfs/dbraw/zinc/02/06/81/277020681.db2.gz CMQYPBLDDZXPSM-UHFFFAOYSA-N 0 3 308.385 2.551 40 0 DFABHN Cc1nc(C)c(CN2CCC[C@@]3(CN(C(C)C)C3=O)C2)s1 ZINC000585099273 430479365 /nfs/dbraw/zinc/47/93/65/430479365.db2.gz AFIAQIMWGOAENJ-INIZCTEOSA-N 0 3 307.463 2.593 40 0 DFABHN Cc1ccc([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000035622906 278855877 /nfs/dbraw/zinc/85/58/77/278855877.db2.gz IRUPNPVCSZGXMP-HOTGVXAUSA-N 0 3 319.449 2.594 40 0 DFABHN COc1cc(NC(=O)[C@H]2CCCN(C)C2)c(OC)cc1Cl ZINC000082338193 185176370 /nfs/dbraw/zinc/17/63/70/185176370.db2.gz MSRGSSHETGFECV-JTQLQIEISA-N 0 3 312.797 2.638 40 0 DFABHN Cc1ncc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)s1 ZINC000019713426 398408714 /nfs/dbraw/zinc/40/87/14/398408714.db2.gz WMJHTGLFULCKHP-GDBMZVCRSA-N 0 3 307.463 2.817 40 0 DFABHN CCC(CC)N1CCOC[C@@](O)(COc2ccccc2C)C1 ZINC000585277437 398438776 /nfs/dbraw/zinc/43/87/76/398438776.db2.gz 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/nfs/dbraw/zinc/01/78/90/203017890.db2.gz QMKNJSNKSYUZII-DZFIZOCASA-N 0 3 309.413 2.904 40 0 DFABHN c1c2ccccc2oc1CN1CCOC[C@@H](Cc2cnccn2)C1 ZINC000257328007 203050336 /nfs/dbraw/zinc/05/03/36/203050336.db2.gz XDTFYLSPSFESEY-HNNXBMFYSA-N 0 3 323.396 2.914 40 0 DFABHN C[C@@H]1C[C@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 ZINC000079953427 399100044 /nfs/dbraw/zinc/10/00/44/399100044.db2.gz OVVNCKWHYWMQLW-NVXWUHKLSA-N 0 3 314.429 2.850 40 0 DFABHN COC[C@H]1COCCC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096106261 193539168 /nfs/dbraw/zinc/53/91/68/193539168.db2.gz PHQGLEJWSDOJAV-KRWDZBQOSA-N 0 3 319.445 2.960 40 0 DFABHN O=C(Nc1ccc(F)cc1F)N1CCN(c2ccncc2)CC1 ZINC000198393915 399194535 /nfs/dbraw/zinc/19/45/35/399194535.db2.gz JBLWHVUGEPVALI-UHFFFAOYSA-N 0 3 318.327 2.714 40 0 DFABHN Cc1ccc(C[N@@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)s1 ZINC000019217243 182108034 /nfs/dbraw/zinc/10/80/34/182108034.db2.gz MIZUKDJMLBTXMT-UHFFFAOYSA-N 0 3 317.458 2.864 40 0 DFABHN Cc1ccc(C[N@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)s1 ZINC000019217243 182108036 /nfs/dbraw/zinc/10/80/36/182108036.db2.gz MIZUKDJMLBTXMT-UHFFFAOYSA-N 0 3 317.458 2.864 40 0 DFABHN Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@@H]3C)c(=O)c2c1 ZINC000019219800 182108144 /nfs/dbraw/zinc/10/81/44/182108144.db2.gz PVKHVPQESLXAED-HOCLYGCPSA-N 0 3 312.413 2.770 40 0 DFABHN CCN(CC)CCN(C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000019364880 182118724 /nfs/dbraw/zinc/11/87/24/182118724.db2.gz BXQOLQWNEFCLSG-ZDUSSCGKSA-N 0 3 311.857 2.941 40 0 DFABHN C[C@@H]1c2ccsc2CCN1CC(C)(C)CN1CCN(C)CC1 ZINC000019498346 182126022 /nfs/dbraw/zinc/12/60/22/182126022.db2.gz JSFNGVKTERVXQG-OAHLLOKOSA-N 0 3 321.534 2.941 40 0 DFABHN CCCn1ncc(CN(CCN(C)C)Cc2cccnc2)c1C ZINC000019525922 182128266 /nfs/dbraw/zinc/12/82/66/182128266.db2.gz MCGCDJWGFPRLJS-UHFFFAOYSA-N 0 3 315.465 2.560 40 0 DFABHN Cc1nc([C@H]2CCCN(Cc3cccc(F)c3)C2)[nH]c(=O)c1C ZINC000019555387 182130359 /nfs/dbraw/zinc/13/03/59/182130359.db2.gz GEFBZMOMAYNJQH-HNNXBMFYSA-N 0 3 315.392 2.905 40 0 DFABHN CCOc1ccc([C@H](C)NC(=O)CC2CCN(C)CC2)cc1 ZINC000019748347 182142969 /nfs/dbraw/zinc/14/29/69/182142969.db2.gz WURUIRAWQKYFLR-AWEZNQCLSA-N 0 3 304.434 2.994 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000062712698 184248795 /nfs/dbraw/zinc/24/87/95/184248795.db2.gz CJAJZFIMGRQREW-LOWVWBTDSA-N 0 3 318.339 2.694 40 0 DFABHN CC(=O)N1CCCc2cc([C@H](O)CN3CCC(C)CC3)ccc21 ZINC000012291142 542420826 /nfs/dbraw/zinc/42/08/26/542420826.db2.gz KVPRRSRCOHANGY-LJQANCHMSA-N 0 3 316.445 2.751 40 0 DFABHN CCCN1CCCN(C(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000084755315 542514186 /nfs/dbraw/zinc/51/41/86/542514186.db2.gz RPVWGWPXAFMZSA-UHFFFAOYSA-N 0 3 321.469 2.896 40 0 DFABHN CC(C)N1CCN(c2ccc([C@@H](O)c3ccccc3)cn2)CC1 ZINC000072225615 257123406 /nfs/dbraw/zinc/12/34/06/257123406.db2.gz FDHWPDBBLMGAHL-IBGZPJMESA-N 0 3 311.429 2.694 40 0 DFABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](O)(CN)c1ccccc1 ZINC000072208047 257128149 /nfs/dbraw/zinc/12/81/49/257128149.db2.gz ABCTVXSHTFGKGD-QAPCUYQASA-N 0 3 320.433 2.623 40 0 DFABHN CCOc1ccc([C@H](N)c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095534304 257136867 /nfs/dbraw/zinc/13/68/67/257136867.db2.gz XRYMGAWJJDXTJI-ZDUSSCGKSA-N 0 3 304.394 2.558 40 0 DFABHN CCOc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OC ZINC000095534304 257136868 /nfs/dbraw/zinc/13/68/68/257136868.db2.gz XRYMGAWJJDXTJI-ZDUSSCGKSA-N 0 3 304.394 2.558 40 0 DFABHN CC(C)(C)n1cc(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)nn1 ZINC000585093585 543460175 /nfs/dbraw/zinc/46/01/75/543460175.db2.gz GKDSWYPPHWNTHK-RHSMWYFYSA-N 0 3 313.449 2.929 40 0 DFABHN CC(C)(C)n1cc(CN[C@@H]2CCC[C@H]2Cc2ccccn2)nn1 ZINC000585093586 543460190 /nfs/dbraw/zinc/46/01/90/543460190.db2.gz GKDSWYPPHWNTHK-WMLDXEAASA-N 0 3 313.449 2.929 40 0 DFABHN COc1cc([C@H]2CNCc3cc(OC)c(OC)cc32)ccc1O ZINC000001719373 286247976 /nfs/dbraw/zinc/24/79/76/286247976.db2.gz NEGANGKLGKFYLC-CQSZACIVSA-N 0 3 315.369 2.653 40 0 DFABHN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084647379 286455152 /nfs/dbraw/zinc/45/51/52/286455152.db2.gz 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/nfs/dbraw/zinc/23/09/44/426230944.db2.gz SLLBNMZXINMZLL-RISCZKNCSA-N 0 3 310.488 2.631 40 0 DFABHN Cc1cccn2c(=O)cc(CN3CC[C@H](c4ccccc4)C3)nc12 ZINC000084247939 426235304 /nfs/dbraw/zinc/23/53/04/426235304.db2.gz MUHRAJFFZFRBGF-KRWDZBQOSA-N 0 3 319.408 2.992 40 0 DFABHN C[C@@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@@H](C)O1 ZINC000085457737 426252608 /nfs/dbraw/zinc/25/26/08/426252608.db2.gz QDWDTWURSBRCJV-HZPDHXFCSA-N 0 3 308.466 2.883 40 0 DFABHN O=C(C[C@@H]1CCCCO1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000087173758 426266762 /nfs/dbraw/zinc/26/67/62/426266762.db2.gz FXJGTPXAUKQLKC-IRXDYDNUSA-N 0 3 314.429 2.957 40 0 DFABHN FC(F)(F)c1ccnc(N2CC[C@]3(CCN3CC3CC3)C2)n1 ZINC000096075981 426396474 /nfs/dbraw/zinc/39/64/74/426396474.db2.gz IAVZOCKTIHTILV-AWEZNQCLSA-N 0 3 312.339 2.560 40 0 DFABHN c1cc(N2CCC[C@@]3(C2)CN(C2CCOCC2)CCO3)cs1 ZINC000096074879 426396673 /nfs/dbraw/zinc/39/66/73/426396673.db2.gz ZXVMZMXCCVKTST-QGZVFWFLSA-N 0 3 322.474 2.598 40 0 DFABHN COCCN1CCC2(CCCN(C(=O)C3CCCCC3)C2)CC1 ZINC000096071796 426396933 /nfs/dbraw/zinc/39/69/33/426396933.db2.gz XGHCVPMUJITSKV-UHFFFAOYSA-N 0 3 322.493 2.918 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3nccs3)C[C@H]12 ZINC000096100375 426397455 /nfs/dbraw/zinc/39/74/55/426397455.db2.gz OQCHDABNZFQHRS-WMZOPIPTSA-N 0 3 313.470 2.991 40 0 DFABHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)nn1 ZINC000096184856 426404485 /nfs/dbraw/zinc/40/44/85/426404485.db2.gz YOKVTRILLRCBBW-CABCVRRESA-N 0 3 300.431 2.700 40 0 DFABHN c1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)nc1 ZINC000096057006 426393107 /nfs/dbraw/zinc/39/31/07/426393107.db2.gz OUSDVTDCLSEYJO-RBUKOAKNSA-N 0 3 316.445 2.879 40 0 DFABHN O=C1C[C@@]2(CCN(Cc3ccsc3)C2)CN1c1ccccn1 ZINC000096050790 426393469 /nfs/dbraw/zinc/39/34/69/426393469.db2.gz OQXKELBLMAWPNJ-QGZVFWFLSA-N 0 3 313.426 2.772 40 0 DFABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccsc2)N1Cc1ccncc1 ZINC000096055674 426393575 /nfs/dbraw/zinc/39/35/75/426393575.db2.gz MGBYOZLTEDFNOV-JKSUJKDBSA-N 0 3 313.426 2.519 40 0 DFABHN c1cc(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cs1 ZINC000096206330 426407466 /nfs/dbraw/zinc/40/74/66/426407466.db2.gz OOHYELSTXISOQV-RDJZCZTQSA-N 0 3 316.426 2.956 40 0 DFABHN CC(C)C(=O)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 ZINC000096214549 426407827 /nfs/dbraw/zinc/40/78/27/426407827.db2.gz LWSAUHZTLYSNPI-SFHVURJKSA-N 0 3 301.434 2.695 40 0 DFABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228759 426408885 /nfs/dbraw/zinc/40/88/85/426408885.db2.gz LAODHJKOTTUCKY-KRWDZBQOSA-N 0 3 322.474 2.711 40 0 DFABHN O=C1C[C@@]2(CCN(Cc3cccs3)C2)CN1c1ccccn1 ZINC000096239156 426411076 /nfs/dbraw/zinc/41/10/76/426411076.db2.gz ASRXGKWEWKRWIL-QGZVFWFLSA-N 0 3 313.426 2.772 40 0 DFABHN CCC(CC)CN1C[C@@H]2[C@H](C1)OCCN2Cc1csc(C)n1 ZINC000096248784 426411152 /nfs/dbraw/zinc/41/11/52/426411152.db2.gz XIIVJTYPFKQWQH-SJORKVTESA-N 0 3 323.506 2.773 40 0 DFABHN CC(C)NC(=O)N1Cc2ccccc2C2(CCN(C)CC2)C1 ZINC000096242403 426411446 /nfs/dbraw/zinc/41/14/46/426411446.db2.gz QQWDOWVTXMOWAJ-UHFFFAOYSA-N 0 3 301.434 2.584 40 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DFABHN CC(=O)N1CCC[C@H]1c1cncc(CN(C)C2CCCC2)n1 ZINC000257207028 427309737 /nfs/dbraw/zinc/30/97/37/427309737.db2.gz BGBCCWZGGRBFRM-KRWDZBQOSA-N 0 3 302.422 2.534 40 0 DFABHN c1c[nH]c(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)n1 ZINC000257212081 427312251 /nfs/dbraw/zinc/31/22/51/427312251.db2.gz CBVVLRNDDOLBQY-HNNXBMFYSA-N 0 3 320.400 2.641 40 0 DFABHN Cc1cc(NC2CC3(C2)CCN(Cc2cncs2)C3)ncn1 ZINC000257213260 427313772 /nfs/dbraw/zinc/31/37/72/427313772.db2.gz CGUQPERIHJNAMW-UHFFFAOYSA-N 0 3 315.446 2.708 40 0 DFABHN O[C@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2 ZINC000257222501 427316362 /nfs/dbraw/zinc/31/63/62/427316362.db2.gz DTNFAMRWEJDYJG-SFHVURJKSA-N 0 3 312.413 2.741 40 0 DFABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cccn2C)n1 ZINC000257231204 427317213 /nfs/dbraw/zinc/31/72/13/427317213.db2.gz GFTYUMINHLFBQQ-KRWDZBQOSA-N 0 3 313.449 2.522 40 0 DFABHN CN1CCCC[C@@]1(C)C(=O)N1CCC(Cc2ccncc2)CC1 ZINC000257228446 427319108 /nfs/dbraw/zinc/31/91/08/427319108.db2.gz FTWWDFZAWLHMJR-IBGZPJMESA-N 0 3 315.461 2.737 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/nfs/dbraw/zinc/32/36/01/201323601.db2.gz BJWIWJJCHHJKPT-KGLIPLIRSA-N 0 3 303.406 2.704 40 0 DFABHN CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@H](C)C1 ZINC000078897225 398995696 /nfs/dbraw/zinc/99/56/96/398995696.db2.gz FFZSEKRMUXVZTA-BXUZGUMPSA-N 0 3 307.463 2.757 40 0 DFABHN Cc1ccc(CNC[C@@H]2COC3(CCOCC3)O2)cc1Cl ZINC000195449594 201390864 /nfs/dbraw/zinc/39/08/64/201390864.db2.gz ZIFLOSQHHVUVQT-CQSZACIVSA-N 0 3 311.809 2.660 40 0 DFABHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc(OC)c(O)c2)C1 ZINC000079020742 399009739 /nfs/dbraw/zinc/00/97/39/399009739.db2.gz NEUKBXIJKMZFDG-RXSFTSLZSA-N 0 3 311.447 2.570 40 0 DFABHN CN(C)C(=O)CN1CCC(Cc2cccc3cccnc32)CC1 ZINC000257222888 202958051 /nfs/dbraw/zinc/95/80/51/202958051.db2.gz DUZUOGPWLUZEAP-UHFFFAOYSA-N 0 3 311.429 2.578 40 0 DFABHN O[C@H]1CCCOC12CCN(Cc1ccc3[nH]ccc3c1)CC2 ZINC000257278811 203005673 /nfs/dbraw/zinc/00/56/73/203005673.db2.gz ODTPONCZSRHAPJ-KRWDZBQOSA-N 0 3 300.402 2.674 40 0 DFABHN COc1ccc([C@H]2CNCCN2Cc2csc(C)n2)cc1 ZINC000257304049 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CC(C)c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)CC2 ZINC000019453777 182123570 /nfs/dbraw/zinc/12/35/70/182123570.db2.gz YSPKLJFFJBYFIZ-UHFFFAOYSA-N 0 3 315.392 2.633 40 0 DFABHN CN(C)CCN(Cc1ccncc1)CC1=Cc2ccccc2OC1 ZINC000022913823 182339736 /nfs/dbraw/zinc/33/97/36/182339736.db2.gz OKBPGXXOBIYMNG-UHFFFAOYSA-N 0 3 323.440 2.921 40 0 DFABHN CC[C@H](CN1CCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000012239724 542419815 /nfs/dbraw/zinc/41/98/15/542419815.db2.gz IGAFTUKOZFDMNT-MRXNPFEDSA-N 0 3 304.409 2.848 40 0 DFABHN Cc1ncc(CN[C@@H](C)CC(=O)NC(C)C)n1-c1ccccc1 ZINC000084048433 542506159 /nfs/dbraw/zinc/50/61/59/542506159.db2.gz KSOKFKDHGQIVKR-AWEZNQCLSA-N 0 3 314.433 2.574 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000022145782 257129827 /nfs/dbraw/zinc/12/98/27/257129827.db2.gz RIFUGEVYTBABST-UHIISALHSA-N 0 3 302.340 2.814 40 0 DFABHN C[C@@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@H]1O ZINC000250077561 257214225 /nfs/dbraw/zinc/21/42/25/257214225.db2.gz OSQMEDIKTBFXHM-CRAIPNDOSA-N 0 3 312.413 2.863 40 0 DFABHN N[C@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000333806077 543122426 /nfs/dbraw/zinc/12/24/26/543122426.db2.gz IMXWCZQZKAORPG-HZPDHXFCSA-N 0 3 322.474 2.946 40 0 DFABHN O=C(c1cccc(F)c1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000000300636 425551803 /nfs/dbraw/zinc/55/18/03/425551803.db2.gz AATLTRSTZYMCGM-HLLBOEOZSA-N 0 3 314.404 2.796 40 0 DFABHN c1cc(Nn2c(-c3ccncc3)nnc2-c2ccncc2)ccn1 ZINC000000392387 425558942 /nfs/dbraw/zinc/55/89/42/425558942.db2.gz MHDOTKXNYPOFFP-UHFFFAOYSA-N 0 3 315.340 2.672 40 0 DFABHN O=Cc1cn(-c2ccccc2)nc1C1=CC2C=CC=C[C@H]2OC1=O ZINC000000804856 425570577 /nfs/dbraw/zinc/57/05/77/425570577.db2.gz NDHJKZQRXWLWKI-CXAGYDPISA-N 0 3 318.332 2.736 40 0 DFABHN C[C@@H]1C[C@@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 ZINC000012187160 425721213 /nfs/dbraw/zinc/72/12/13/425721213.db2.gz JMINFJSLOZKTMM-QAPCUYQASA-N 0 3 312.457 2.955 40 0 DFABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000019498885 425789081 /nfs/dbraw/zinc/78/90/81/425789081.db2.gz USRAKVMUDSSLRL-SFHVURJKSA-N 0 3 316.445 2.895 40 0 DFABHN CCC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](C)C2)cc1 ZINC000035982073 425844667 /nfs/dbraw/zinc/84/46/67/425844667.db2.gz XHMQPFJPUWCIMQ-HOCLYGCPSA-N 0 3 305.418 2.751 40 0 DFABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)o1 ZINC000107746004 426002534 /nfs/dbraw/zinc/00/25/34/426002534.db2.gz XFGWSZISGUGXSC-BJWYYQGGSA-N 0 3 311.385 2.690 40 0 DFABHN c1cn([C@H]2CO[C@]3(C2)CCCN(Cc2ccsc2)C3)cn1 ZINC000107731350 426002629 /nfs/dbraw/zinc/00/26/29/426002629.db2.gz HSTSFANUTXQSLQ-CVEARBPZSA-N 0 3 303.431 2.941 40 0 DFABHN c1ccc(CN2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107787681 426003780 /nfs/dbraw/zinc/00/37/80/426003780.db2.gz JOQCVIZHLOVKKU-IEBWSBKVSA-N 0 3 324.428 2.712 40 0 DFABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2CCO)n1 ZINC000072376761 426016338 /nfs/dbraw/zinc/01/63/38/426016338.db2.gz RXIQDHAHFJOVDT-AWEZNQCLSA-N 0 3 318.808 2.508 40 0 DFABHN Cc1ncsc1CN1CCC2(CC(NC(=O)C3CC3)C2)CC1 ZINC000108535296 426017798 /nfs/dbraw/zinc/01/77/98/426017798.db2.gz FFARRRSBBKXALA-UHFFFAOYSA-N 0 3 319.474 2.722 40 0 DFABHN CCN1CC2(CCC1=O)CCN(Cc1scnc1C)CC2 ZINC000108528697 426017859 /nfs/dbraw/zinc/01/78/59/426017859.db2.gz OKHMINLRWLXHRL-UHFFFAOYSA-N 0 3 307.463 2.676 40 0 DFABHN COc1cc(NC2CCN(C[C@H]3CCCO3)CC2)cc(OC)c1 ZINC000085869018 426254697 /nfs/dbraw/zinc/25/46/97/426254697.db2.gz SOIGZSZPUBLZAA-MRXNPFEDSA-N 0 3 320.433 2.759 40 0 DFABHN Cc1ccc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)o1 ZINC000096061081 426395342 /nfs/dbraw/zinc/39/53/42/426395342.db2.gz CLWBUMUPGUJSDZ-INIZCTEOSA-N 0 3 324.384 2.535 40 0 DFABHN CCO[C@@H]1CCN(Cc2cccc(F)c2)[C@@H]1Cc1cnn(C)c1 ZINC000096200635 426406840 /nfs/dbraw/zinc/40/68/40/426406840.db2.gz ABSHCSSAGLIVGA-QZTJIDSGSA-N 0 3 317.408 2.781 40 0 DFABHN CCN1CCO[C@]2(CCC[C@H]2COCc2csc(C)n2)C1 ZINC000096160008 426403725 /nfs/dbraw/zinc/40/37/25/426403725.db2.gz LEJLAUAMXWXXJR-GOEBONIOSA-N 0 3 310.463 2.859 40 0 DFABHN c1csc(CN2CCc3ncc(CN4CCCC4)n3CC2)c1 ZINC000096196850 426405934 /nfs/dbraw/zinc/40/59/34/426405934.db2.gz AMUSTGVYZHQETJ-UHFFFAOYSA-N 0 3 316.474 2.599 40 0 DFABHN Cc1ccsc1CN1C[C@H](c2nc(C)no2)C[C@H]2OCC[C@H]21 ZINC000096038928 426389013 /nfs/dbraw/zinc/38/90/13/426389013.db2.gz SGQZEUFMNHYHRD-MGPQQGTHSA-N 0 3 319.430 2.895 40 0 DFABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1c(C)noc1C)C2 ZINC000096039333 426389111 /nfs/dbraw/zinc/38/91/11/426389111.db2.gz YRXNVQADONDFKO-DLBZAZTESA-N 0 3 308.422 2.699 40 0 DFABHN Cc1ncsc1CN1C[C@@H](N2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000096040604 426390637 /nfs/dbraw/zinc/39/06/37/426390637.db2.gz DHRKBYHALVLFGC-UXLLHSPISA-N 0 3 321.490 2.527 40 0 DFABHN CC(C)N(C)Cc1cnc2n1CCN(CCc1ccccc1)C2 ZINC000096045681 426391244 /nfs/dbraw/zinc/39/12/44/426391244.db2.gz OFPLDXIMUUGSFR-UHFFFAOYSA-N 0 3 312.461 2.782 40 0 DFABHN Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3C2CCC2)cs1 ZINC000096041768 426391514 /nfs/dbraw/zinc/39/15/14/426391514.db2.gz UIDQOGKWLPBBAA-ARFHVFGLSA-N 0 3 308.447 2.752 40 0 DFABHN c1csc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)c1 ZINC000096048546 426391552 /nfs/dbraw/zinc/39/15/52/426391552.db2.gz BGAUJLZCNIIICF-HOCLYGCPSA-N 0 3 303.431 2.941 40 0 DFABHN Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)c1 ZINC000096055129 426393494 /nfs/dbraw/zinc/39/34/94/426393494.db2.gz PZTLUQLXWROFCY-QAPCUYQASA-N 0 3 316.376 2.756 40 0 DFABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228756 426409890 /nfs/dbraw/zinc/40/98/90/426409890.db2.gz ICYHCMIZISCBKM-QGZVFWFLSA-N 0 3 322.474 2.711 40 0 DFABHN O=C(c1ccncc1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096203121 426407148 /nfs/dbraw/zinc/40/71/48/426407148.db2.gz LULVLQHICIGSMG-HXUWFJFHSA-N 0 3 321.424 2.820 40 0 DFABHN C[C@@H](c1ccccc1F)N1CCC(c2ccnn2CCO)CC1 ZINC000195509691 426529766 /nfs/dbraw/zinc/52/97/66/426529766.db2.gz QILBTUULYAZXJT-AWEZNQCLSA-N 0 3 317.408 2.955 40 0 DFABHN O=C(C[C@H]1CCCCO1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000195537576 426535631 /nfs/dbraw/zinc/53/56/31/426535631.db2.gz FXJGTPXAUKQLKC-IAGOWNOFSA-N 0 3 314.429 2.957 40 0 DFABHN CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000195530583 426537487 /nfs/dbraw/zinc/53/74/87/426537487.db2.gz XHCIKJMJOQMBAX-XYJFISCASA-N 0 3 318.461 2.923 40 0 DFABHN Cc1c(CN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)cnn1C ZINC000195555553 426539105 /nfs/dbraw/zinc/53/91/05/426539105.db2.gz RKHIQCNLZCQKGF-IUODEOHRSA-N 0 3 322.453 2.606 40 0 DFABHN CN(C)CCOc1ccc(NC(=O)C2(C)CCCCC2)cn1 ZINC000225946011 426616500 /nfs/dbraw/zinc/61/65/00/426616500.db2.gz RZBPTIUTZZKOSU-UHFFFAOYSA-N 0 3 305.422 2.931 40 0 DFABHN CN(C)C[C@@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 ZINC000248133943 426984453 /nfs/dbraw/zinc/98/44/53/426984453.db2.gz RAUQNVMHZHGDST-MRXNPFEDSA-N 0 3 304.825 2.655 40 0 DFABHN Cc1nc(NCCO)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329026186 427028784 /nfs/dbraw/zinc/02/87/84/427028784.db2.gz PKFKUGONMJCEQW-UHFFFAOYSA-N 0 3 312.417 2.531 40 0 DFABHN COc1ccc([C@H]2CNCCN2Cc2scnc2C)cc1 ZINC000257241282 427321429 /nfs/dbraw/zinc/32/14/29/427321429.db2.gz HXKONYBKQFLQKL-OAHLLOKOSA-N 0 3 303.431 2.607 40 0 DFABHN Cc1[nH]c2ccccc2c1CN1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257266100 427327763 /nfs/dbraw/zinc/32/77/63/427327763.db2.gz MBOXEDHUWGYOSG-ROUUACIJSA-N 0 3 300.402 2.592 40 0 DFABHN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3ccsc3)C[C@H]12 ZINC000257284515 427332719 /nfs/dbraw/zinc/33/27/19/427332719.db2.gz PCYOJRQFOKMNKR-OWCLPIDISA-N 0 3 314.458 2.885 40 0 DFABHN CCc1nccn1[C@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000193050981 427659078 /nfs/dbraw/zinc/65/90/78/427659078.db2.gz UDVQRNQODPHGKR-DOTOQJQBSA-N 0 3 307.438 2.626 40 0 DFABHN Nc1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)ccn1 ZINC000193341849 427687105 /nfs/dbraw/zinc/68/71/05/427687105.db2.gz RJJITZSEQCKDFL-GOSISDBHSA-N 0 3 315.392 2.749 40 0 DFABHN CN1c2ccccc2C2(CCN(Cc3cccnc3)CC2)C1=O ZINC000096052496 273943214 /nfs/dbraw/zinc/94/32/14/273943214.db2.gz LWQHPNOPVSMNDU-UHFFFAOYSA-N 0 3 307.397 2.592 40 0 DFABHN O=c1[nH]c2cc3c(cc2cc1CNCc1ccccc1)OCO3 ZINC000013566533 275042385 /nfs/dbraw/zinc/04/23/85/275042385.db2.gz SDFRZUHNPLSAPS-UHFFFAOYSA-N 0 3 308.337 2.547 40 0 DFABHN N[C@H]1CC(=O)c2c(Br)sc(Br)c21 ZINC000001638243 295332885 /nfs/dbraw/zinc/33/28/85/295332885.db2.gz ZBJKXPGYCUSNHR-REOHCLBHSA-N 0 3 310.998 2.859 40 0 DFABHN O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccc1 ZINC000306136290 534854213 /nfs/dbraw/zinc/85/42/13/534854213.db2.gz POYRUPBRYPGQPQ-RBUKOAKNSA-N 0 3 321.424 2.779 40 0 DFABHN N[C@H]1CCOc2cc(Br)cc(Br)c21 ZINC000076914476 185055663 /nfs/dbraw/zinc/05/56/63/185055663.db2.gz CAOLVCMMOQJLSX-ZETCQYMHSA-N 0 3 306.985 2.994 40 0 DFABHN O=C(CN[C@@H](c1ccccc1)C1CCCC1)NC1CCOCC1 ZINC000078923038 185129042 /nfs/dbraw/zinc/12/90/42/185129042.db2.gz ZPNMKOIGTJWUPJ-IBGZPJMESA-N 0 3 316.445 2.803 40 0 DFABHN O=C1Nc2c(Cl)ccc(OC3CNC3)c2C2(CCCC2)N1 ZINC000079012801 185145945 /nfs/dbraw/zinc/14/59/45/185145945.db2.gz LQCQFXHAFFCGKI-UHFFFAOYSA-N 0 3 307.781 2.595 40 0 DFABHN Cc1ccc(NC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1 ZINC000079029346 185147526 /nfs/dbraw/zinc/14/75/26/185147526.db2.gz ILWAODLIPDECQL-UHFFFAOYSA-N 0 3 324.428 2.784 40 0 DFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccc(F)cc3)C2)C1 ZINC000585102651 398432445 /nfs/dbraw/zinc/43/24/45/398432445.db2.gz DWWFPLPDOAZGBN-MRXNPFEDSA-N 0 3 306.425 2.758 40 0 DFABHN Cc1n[nH]c(C)c1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585279542 398439296 /nfs/dbraw/zinc/43/92/96/398439296.db2.gz ZQWRIFNVMRCERA-ROUUACIJSA-N 0 3 317.408 2.734 40 0 DFABHN c1cncc(CO[C@@H]2CSC3(CN(CC4CCC4)C3)C2)c1 ZINC000585105434 398432979 /nfs/dbraw/zinc/43/29/79/398432979.db2.gz WMVMCNOTZYAINL-INIZCTEOSA-N 0 3 304.459 2.958 40 0 DFABHN Cc1cnccc1CN1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585269133 398437025 /nfs/dbraw/zinc/43/70/25/398437025.db2.gz KJEHOBFCODDZIH-SFHVURJKSA-N 0 3 316.376 2.545 40 0 DFABHN O[C@@]1(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)CCOC1 ZINC000090848489 398494129 /nfs/dbraw/zinc/49/41/29/398494129.db2.gz XWSHJFPEZGRVSU-IEBWSBKVSA-N 0 3 317.429 2.520 40 0 DFABHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccn(CCN(C)C)n1 ZINC000083572832 192373262 /nfs/dbraw/zinc/37/32/62/192373262.db2.gz CBKCEJDSHOYQQO-KFWWJZLASA-N 0 3 319.453 2.630 40 0 DFABHN CC(=O)c1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000083843734 192386518 /nfs/dbraw/zinc/38/65/18/192386518.db2.gz YPRXFFKUTZWTDP-DOTOQJQBSA-N 0 3 315.417 2.837 40 0 DFABHN CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225601819 186282348 /nfs/dbraw/zinc/28/23/48/186282348.db2.gz DOVKDRJRXQBSNI-GOSISDBHSA-N 0 3 320.433 2.915 40 0 DFABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000072324768 191123686 /nfs/dbraw/zinc/12/36/86/191123686.db2.gz JGUNZNOVQQBWJF-WCFLWFBJSA-N 0 3 315.244 2.633 40 0 DFABHN c1cncc(-c2nnc([C@H]3CCCN(Cc4ccncc4)C3)o2)c1 ZINC000072389980 191147220 /nfs/dbraw/zinc/14/72/20/191147220.db2.gz RLJNBYGCQKEIEK-INIZCTEOSA-N 0 3 321.384 2.906 40 0 DFABHN CCN(CC)CCOC(=O)c1cc([C@@H](C)O)nc2ccccc21 ZINC000006382295 181335800 /nfs/dbraw/zinc/33/58/00/181335800.db2.gz ZQLWFNHPBVDHFR-CYBMUJFWSA-N 0 3 316.401 2.787 40 0 DFABHN C=Cn1cc(CN[C@@H]2CCCN(c3ccccc3F)C2)cn1 ZINC000194401256 201218839 /nfs/dbraw/zinc/21/88/39/201218839.db2.gz PUSMFVWSLAZJFH-OAHLLOKOSA-N 0 3 300.381 2.881 40 0 DFABHN Cc1cccnc1NC(=O)[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000079014062 399008260 /nfs/dbraw/zinc/00/82/60/399008260.db2.gz SDANKROTULYTQA-HOTGVXAUSA-N 0 3 317.433 2.610 40 0 DFABHN O[C@H]1CCCOC12CCN(Cc1ccc3cc[nH]c3c1)CC2 ZINC000257303167 203028603 /nfs/dbraw/zinc/02/86/03/203028603.db2.gz SGAQPMDUEUMGCJ-KRWDZBQOSA-N 0 3 300.402 2.674 40 0 DFABHN c1cnc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000257309213 203033433 /nfs/dbraw/zinc/03/34/33/203033433.db2.gz TZZGWTWLZJWKFX-OAHLLOKOSA-N 0 3 311.385 2.627 40 0 DFABHN Cc1ccc(CN2CCOC[C@@H](Cc3cnccn3)C2)s1 ZINC000257334814 203055704 /nfs/dbraw/zinc/05/57/04/203055704.db2.gz YHMHUHRXQFNXDV-AWEZNQCLSA-N 0 3 303.431 2.538 40 0 DFABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000257336689 203058854 /nfs/dbraw/zinc/05/88/54/203058854.db2.gz YPPGFGLSHUYBFH-HNNXBMFYSA-N 0 3 313.401 2.869 40 0 DFABHN CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000195537273 399183888 /nfs/dbraw/zinc/18/38/88/399183888.db2.gz SDJWHVCKGXCUJY-BYNSBNAKSA-N 0 3 313.511 2.642 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccccc2Br)C[C@H](C)O1 ZINC000019422082 182122472 /nfs/dbraw/zinc/12/24/72/182122472.db2.gz DGRKQZVTLWFUKF-WDMOLILDSA-N 0 3 313.239 2.558 40 0 DFABHN Cc1cc(C)n([C@H](C)CC(=O)NC[C@@H](C)N2CCC(C)CC2)n1 ZINC000019573057 182131500 /nfs/dbraw/zinc/13/15/00/182131500.db2.gz MMZFLIRCMSJTHH-IAGOWNOFSA-N 0 3 320.481 2.688 40 0 DFABHN O=Cc1cn(-c2ccccc2)nc1C1=CC2C=CC=C[C@@H]2OC1=O ZINC000000804857 285033104 /nfs/dbraw/zinc/03/31/04/285033104.db2.gz NDHJKZQRXWLWKI-DYVFJYSZSA-N 0 3 318.332 2.736 40 0 DFABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccoc2)on1 ZINC000012252343 542420119 /nfs/dbraw/zinc/42/01/19/542420119.db2.gz JYNTWQMFDIXRPZ-UHFFFAOYSA-N 0 3 313.361 2.674 40 0 DFABHN O[C@@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccccc1 ZINC000012292053 542420856 /nfs/dbraw/zinc/42/08/56/542420856.db2.gz KEBAXYDEAUIXLY-SFHVURJKSA-N 0 3 315.388 2.843 40 0 DFABHN COC(=O)CCN(Cc1ccc(F)cc1F)C1CCOCC1 ZINC000084864244 542514922 /nfs/dbraw/zinc/51/49/22/542514922.db2.gz ZABVZYSUKLSGLO-UHFFFAOYSA-N 0 3 313.344 2.509 40 0 DFABHN COc1ccc(OCc2n[nH]c([C@H](N)c3ccc(C)cc3)n2)cc1 ZINC000095534117 257138114 /nfs/dbraw/zinc/13/81/14/257138114.db2.gz MTNPDLKTYBQJOC-QGZVFWFLSA-N 0 3 324.384 2.749 40 0 DFABHN COc1cc(C(=O)CCN2CCCCC2)cc(OC)c1OC ZINC000001666183 425584956 /nfs/dbraw/zinc/58/49/56/425584956.db2.gz JZUVCFZZNLXANA-UHFFFAOYSA-N 0 3 307.390 2.771 40 0 DFABHN O=c1[nH]c2cc3c(cc2cc1CNCc1cccs1)OCO3 ZINC000012468841 425726977 /nfs/dbraw/zinc/72/69/77/425726977.db2.gz VHKIQZREXBCQLA-UHFFFAOYSA-N 0 3 314.366 2.608 40 0 DFABHN CCOCCCNCC(=O)Nc1ccccc1N1CCCCC1 ZINC000035311478 425843852 /nfs/dbraw/zinc/84/38/52/425843852.db2.gz AUEMDOVGQJVECO-UHFFFAOYSA-N 0 3 319.449 2.632 40 0 DFABHN Cc1cccc(CN2CC[C@@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107226028 425986665 /nfs/dbraw/zinc/98/66/65/425986665.db2.gz UJIULTFOMYEFJM-RTBURBONSA-N 0 3 324.428 2.631 40 0 DFABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107226644 425986823 /nfs/dbraw/zinc/98/68/23/425986823.db2.gz SLTHEGUMKPSSKK-GDBMZVCRSA-N 0 3 303.431 2.859 40 0 DFABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)o1 ZINC000107745956 426002709 /nfs/dbraw/zinc/00/27/09/426002709.db2.gz QDBRUNXQQHZYAN-BJWYYQGGSA-N 0 3 314.385 2.565 40 0 DFABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCOC)C1 ZINC000072378121 426016253 /nfs/dbraw/zinc/01/62/53/426016253.db2.gz QVRRAXAIFKCFHU-GFCCVEGCSA-N 0 3 318.442 2.697 40 0 DFABHN CC[C@@H](C)C(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000078772453 426186344 /nfs/dbraw/zinc/18/63/44/426186344.db2.gz YJLQRQWEMRDRRP-WBVHZDCISA-N 0 3 303.450 2.941 40 0 DFABHN c1cc(CN2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)co1 ZINC000096058342 426395187 /nfs/dbraw/zinc/39/51/87/426395187.db2.gz GIHLHCPGFNFDCL-UFYCRDLUSA-N 0 3 324.424 2.882 40 0 DFABHN Cc1ccc(CN2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)s1 ZINC000096061133 426395230 /nfs/dbraw/zinc/39/52/30/426395230.db2.gz CYSLECOVOAQXDO-HNNXBMFYSA-N 0 3 322.474 2.658 40 0 DFABHN Cc1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)s1 ZINC000096084110 426396376 /nfs/dbraw/zinc/39/63/76/426396376.db2.gz HCZVSJQVPVJCPL-UHFFFAOYSA-N 0 3 316.474 2.934 40 0 DFABHN c1cc(CN2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)co1 ZINC000096106954 426397881 /nfs/dbraw/zinc/39/78/81/426397881.db2.gz BBTGITVNXGQZMJ-MRXNPFEDSA-N 0 3 314.385 2.877 40 0 DFABHN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccoc2)cn1 ZINC000096200685 426406735 /nfs/dbraw/zinc/40/67/35/426406735.db2.gz HCLLQXFPDUIVCV-ROUUACIJSA-N 0 3 315.417 2.625 40 0 DFABHN c1c(-c2ccccc2)nc2n1C[C@H](CNCc1cccnc1)OC2 ZINC000096112891 426398747 /nfs/dbraw/zinc/39/87/47/426398747.db2.gz ZPVFZOHWCCTSEL-KRWDZBQOSA-N 0 3 320.396 2.634 40 0 biogenic,in-vitro DFABHN CN(C)C(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC000096051606 426392693 /nfs/dbraw/zinc/39/26/93/426392693.db2.gz QCKXPBSFVSEXFW-HNNXBMFYSA-N 0 3 305.422 2.638 40 0 DFABHN Cc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)s1 ZINC000096054995 426393725 /nfs/dbraw/zinc/39/37/25/426393725.db2.gz HZYCGVSHOGVBGK-HZPDHXFCSA-N 0 3 306.475 2.742 40 0 DFABHN Fc1cccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1 ZINC000096053860 426393773 /nfs/dbraw/zinc/39/37/73/426393773.db2.gz KJYZSHXHWVKISW-HUUCEWRRSA-N 0 3 317.433 2.846 40 0 DFABHN Cc1ccc(CN2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)s1 ZINC000096219625 426409801 /nfs/dbraw/zinc/40/98/01/426409801.db2.gz AINUJDLTWFDBML-GZBFAFLISA-N 0 3 319.430 2.580 40 0 DFABHN c1ccc(CN2CC[C@@]3(C[C@H](Nc4ccccn4)CO3)C2)cc1 ZINC000096219056 426410104 /nfs/dbraw/zinc/41/01/04/426410104.db2.gz ZFGZXWFEFLNVAI-PKOBYXMFSA-N 0 3 309.413 2.927 40 0 DFABHN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccc2)n1 ZINC000096246030 426411333 /nfs/dbraw/zinc/41/13/33/426411333.db2.gz ATXHVTCDHAUQOK-OALUTQOASA-N 0 3 321.424 2.765 40 0 DFABHN Cc1cncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000098175428 426480576 /nfs/dbraw/zinc/48/05/76/426480576.db2.gz PMMVGVKYXLSWMT-UHFFFAOYSA-N 0 3 309.413 2.784 40 0 DFABHN CCO[C@@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000225723060 426610952 /nfs/dbraw/zinc/61/09/52/426610952.db2.gz ZRGYPLSFBCDKPM-GOSISDBHSA-N 0 3 320.433 2.771 40 0 DFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248161725 426982725 /nfs/dbraw/zinc/98/27/25/426982725.db2.gz XTEIEZPOWLPYAO-HNNXBMFYSA-N 0 3 306.425 2.758 40 0 DFABHN Cc1csc(Nc2cccc(C3CCN(CCO)CC3)n2)n1 ZINC000257232007 427316230 /nfs/dbraw/zinc/31/62/30/427316230.db2.gz GIZCXKPCKYYYNW-UHFFFAOYSA-N 0 3 318.446 2.762 40 0 DFABHN Cc1ccccc1CNC(=O)c1ccccc1-n1cnc(CN)c1 ZINC000257258787 427329253 /nfs/dbraw/zinc/32/92/53/427329253.db2.gz KVNOKCNIXGLAFN-UHFFFAOYSA-N 0 3 320.396 2.569 40 0 DFABHN CNC(=O)c1cccc([C@@H]2CN(C3CCCCC3)CCN2C)c1 ZINC000257331119 427332696 /nfs/dbraw/zinc/33/26/96/427332696.db2.gz XRLJLCIJEVTERX-SFHVURJKSA-N 0 3 315.461 2.667 40 0 DFABHN COc1ccc([C@@H]2Cn3ccnc3CN2Cc2cn[nH]c2C)cc1 ZINC000257269721 427332990 /nfs/dbraw/zinc/33/29/90/427332990.db2.gz MRCLUWJTMUASHH-KRWDZBQOSA-N 0 3 323.400 2.680 40 0 DFABHN O=C(NCc1ccoc1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000193581413 427700657 /nfs/dbraw/zinc/70/06/57/427700657.db2.gz ZPHUFWJTRJMFBH-KRWDZBQOSA-N 0 3 313.401 2.916 40 0 DFABHN CO[C@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096219984 274080985 /nfs/dbraw/zinc/08/09/85/274080985.db2.gz YZSYIMQNKYOCIP-KSZLIROESA-N 0 3 316.401 2.594 40 0 DFABHN c1coc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)c1 ZINC000096047338 275074476 /nfs/dbraw/zinc/07/44/76/275074476.db2.gz PXIGOUSSGNCXHB-UHFFFAOYSA-N 0 3 312.417 2.952 40 0 DFABHN CCN(CC)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000001641450 276327628 /nfs/dbraw/zinc/32/76/28/276327628.db2.gz LMKPHJYTFHAGHK-QGZVFWFLSA-N 0 3 319.445 2.960 40 0 DFABHN CCn1c(N)ncc1-c1ccc(I)cc1 ZINC000022130284 276711308 /nfs/dbraw/zinc/71/13/08/276711308.db2.gz HFIANWZXGFVUBE-UHFFFAOYSA-N 0 3 313.142 2.757 40 0 DFABHN O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccc1 ZINC000306136288 280332707 /nfs/dbraw/zinc/33/27/07/280332707.db2.gz POYRUPBRYPGQPQ-MOPGFXCFSA-N 0 3 321.424 2.779 40 0 DFABHN COc1ccccc1CN(C[C@H]1CCCO1)C[C@@H]1CCOC1 ZINC000248119400 295361528 /nfs/dbraw/zinc/36/15/28/295361528.db2.gz DGLCVUKHMSYRQZ-DOTOQJQBSA-N 0 3 305.418 2.713 40 0 DFABHN CC(C)CN1CCO[C@@H](CNCc2cc(Cl)cs2)C1 ZINC000192982470 323250385 /nfs/dbraw/zinc/25/03/85/323250385.db2.gz PDHGZBXARHTQHF-ZDUSSCGKSA-N 0 3 302.871 2.848 40 0 DFABHN COc1cccc([C@@H](C)N2CCC(N3CCCC3=O)CC2)c1 ZINC000079415066 185170369 /nfs/dbraw/zinc/17/03/69/185170369.db2.gz VPVYMECUSIYQLZ-CQSZACIVSA-N 0 3 302.418 2.843 40 0 DFABHN Cc1nc(C(=O)N2CCC[C@]3(CCN3CC(C)C)C2)cs1 ZINC000585101838 398432280 /nfs/dbraw/zinc/43/22/80/398432280.db2.gz ITPWSAQKDAKZRU-INIZCTEOSA-N 0 3 307.463 2.788 40 0 DFABHN CC(C)OC(=O)NC1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000585102936 398432465 /nfs/dbraw/zinc/43/24/65/398432465.db2.gz JPITWQPWGCNJBR-UHFFFAOYSA-N 0 3 317.433 2.961 40 0 DFABHN CO[C@@]1(COc2ccccc2)CCN(Cc2c(C)n[nH]c2C)C1 ZINC000585279297 398438630 /nfs/dbraw/zinc/43/86/30/398438630.db2.gz ZDJMJEOZMIKJND-SFHVURJKSA-N 0 3 315.417 2.696 40 0 DFABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccn3)[C@H]2O)c1 ZINC000585288724 398439596 /nfs/dbraw/zinc/43/95/96/398439596.db2.gz IWFRUJSHMNOXQO-IPMKNSEASA-N 0 3 312.413 2.841 40 0 DFABHN Cc1ccc2[nH]c(=O)c(CN[C@@H](CO)Cc3ccccc3)cc2c1 ZINC000585293539 398440496 /nfs/dbraw/zinc/44/04/96/398440496.db2.gz ZBXAHMHGRPSSKH-GOSISDBHSA-N 0 3 322.408 2.942 40 0 DFABHN COCCN(CCN(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000083851029 192386284 /nfs/dbraw/zinc/38/62/84/192386284.db2.gz XVBOIRPDEKXAKT-UHFFFAOYSA-N 0 3 319.232 2.644 40 0 DFABHN CC(C)(C)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000147209976 186039208 /nfs/dbraw/zinc/03/92/08/186039208.db2.gz QGOWPUGITGXQEJ-UHFFFAOYSA-N 0 3 305.418 2.846 40 0 DFABHN CC(C)N1CCC(c2nccnc2NCC2(C)COC2)CC1 ZINC000072365513 191134215 /nfs/dbraw/zinc/13/42/15/191134215.db2.gz YENWVYPOYIHANG-UHFFFAOYSA-N 0 3 304.438 2.513 40 0 DFABHN c1ccc(-c2nnc([C@@H]3CCCN(Cc4cccnc4)C3)o2)nc1 ZINC000072390031 191148061 /nfs/dbraw/zinc/14/80/61/191148061.db2.gz XUBBVYRNMIWQMB-OAHLLOKOSA-N 0 3 321.384 2.906 40 0 DFABHN c1cc2ccc(CN3CCOC[C@H](Cc4cnccn4)C3)cc2[nH]1 ZINC000072388275 191146329 /nfs/dbraw/zinc/14/63/29/191146329.db2.gz OKKGYVXPMLWUIN-MRXNPFEDSA-N 0 3 322.412 2.649 40 0 DFABHN CCCOc1ccc(C(=O)OCCN(C)C)cc1OCCC ZINC000005431818 181242849 /nfs/dbraw/zinc/24/28/49/181242849.db2.gz NICBGLGXLGRVPC-UHFFFAOYSA-N 0 3 309.406 2.983 40 0 DFABHN Cc1cccc([C@@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)c1C ZINC000081323003 192249807 /nfs/dbraw/zinc/24/98/07/192249807.db2.gz TUADBKXNPMUSOJ-ZBFHGGJFSA-N 0 3 323.458 2.790 40 0 DFABHN C=Cn1cc(CN[C@H]2CCCN(c3ccccc3F)C2)cn1 ZINC000194401267 201218311 /nfs/dbraw/zinc/21/83/11/201218311.db2.gz PUSMFVWSLAZJFH-HNNXBMFYSA-N 0 3 300.381 2.881 40 0 DFABHN CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)CNCc1ccccn1)=CC2 ZINC000006822594 181395629 /nfs/dbraw/zinc/39/56/29/181395629.db2.gz VJMNNNJDUNTRJC-KBAYOESNSA-N 0 3 316.445 2.541 40 0 DFABHN Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3cncs3)C2)n1 ZINC000257299438 203023440 /nfs/dbraw/zinc/02/34/40/203023440.db2.gz RQBZMHALXGKVHQ-CYBMUJFWSA-N 0 3 302.447 2.902 40 0 DFABHN COCCN1CCC[C@H](c2cccc(-c3cnc(C)n3C)n2)C1 ZINC000257301628 203024709 /nfs/dbraw/zinc/02/47/09/203024709.db2.gz RZEKXGQRFGRHPQ-HNNXBMFYSA-N 0 3 314.433 2.616 40 0 DFABHN COc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2OC ZINC000257301839 203025502 /nfs/dbraw/zinc/02/55/02/203025502.db2.gz SAEGUMHUQLFDRU-KRWDZBQOSA-N 0 3 305.418 2.855 40 0 DFABHN CCn1nc(C)c(CN2CCC[C@H](c3n[nH]cc3C)C2)c1C ZINC000257285491 203012469 /nfs/dbraw/zinc/01/24/69/203012469.db2.gz PHJZCYIJKZXJLQ-HNNXBMFYSA-N 0 3 301.438 2.931 40 0 DFABHN CN1CCC(Cc2ccc(F)cc2)(C(=O)NC2CCC2)CC1 ZINC000257293942 203019429 /nfs/dbraw/zinc/01/94/29/203019429.db2.gz QRUADJRQYGMDAC-UHFFFAOYSA-N 0 3 304.409 2.749 40 0 DFABHN Cc1cnc(C2(C)CCN(C(=O)C3(N)CCCC3)CC2)s1 ZINC000257316882 203040994 /nfs/dbraw/zinc/04/09/94/203040994.db2.gz VHKFCBJHPKLIRG-UHFFFAOYSA-N 0 3 307.463 2.603 40 0 DFABHN Cc1ccccc1CNC(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257324028 203047293 /nfs/dbraw/zinc/04/72/93/203047293.db2.gz WMVXAEBGIKUGDA-UHFFFAOYSA-N 0 3 320.396 2.569 40 0 DFABHN c1ncc(CN2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)s1 ZINC000257327379 203050399 /nfs/dbraw/zinc/05/03/99/203050399.db2.gz XBCKSXHQKMKTFZ-UHOFOFEASA-N 0 3 301.415 2.828 40 0 DFABHN Cc1csc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040603 193494215 /nfs/dbraw/zinc/49/42/15/193494215.db2.gz XWYNCXRXTBWZNC-UXLLHSPISA-N 0 3 321.490 2.527 40 0 DFABHN CC(C)NC(=O)C[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048159 193501348 /nfs/dbraw/zinc/50/13/48/193501348.db2.gz RGTQBJWAHBZQGO-HNNXBMFYSA-N 0 3 320.433 2.565 40 0 DFABHN c1csc(CN2CC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)c1 ZINC000096218958 193587546 /nfs/dbraw/zinc/58/75/46/193587546.db2.gz BJJMMGAIUOGYAJ-DOTOQJQBSA-N 0 3 315.442 2.989 40 0 DFABHN C[C@H](CO)N[C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000195553677 399184995 /nfs/dbraw/zinc/18/49/95/399184995.db2.gz IBDFXKBOVGHMDY-DDTOSNHZSA-N 0 3 314.223 2.640 40 0 DFABHN C[C@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)on2)C1 ZINC000019496549 182125392 /nfs/dbraw/zinc/12/53/92/182125392.db2.gz YRYMEQSGQXKLNJ-LBPRGKRZSA-N 0 3 305.422 2.792 40 0 DFABHN CCOc1ccc([C@@H](C)NC(=O)CC2CCN(C)CC2)cc1 ZINC000019748346 182142759 /nfs/dbraw/zinc/14/27/59/182142759.db2.gz WURUIRAWQKYFLR-CQSZACIVSA-N 0 3 304.434 2.994 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccccc2C(F)(F)F)C[C@@H](C)O1 ZINC000021012832 182259967 /nfs/dbraw/zinc/25/99/67/182259967.db2.gz NWNZLOQCRSEDSQ-JTNHKYCSSA-N 0 3 302.340 2.814 40 0 DFABHN Cc1cc(OCC(=O)NC2CCN(C)CC2)cc(C)c1Cl ZINC000157363193 197181368 /nfs/dbraw/zinc/18/13/68/197181368.db2.gz PXMGYHQLZFVXSY-UHFFFAOYSA-N 0 3 310.825 2.546 40 0 DFABHN Cn1ccnc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21 ZINC000084284642 542507854 /nfs/dbraw/zinc/50/78/54/542507854.db2.gz HVQXSXQCURRRTQ-CYBMUJFWSA-N 0 3 301.438 2.581 40 0 DFABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@H](N)c1ccccc1 ZINC000072224760 257123467 /nfs/dbraw/zinc/12/34/67/257123467.db2.gz FDXROKGVPQOLSY-HXUWFJFHSA-N 0 3 324.472 2.969 40 0 DFABHN CCCN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216601 257125201 /nfs/dbraw/zinc/12/52/01/257125201.db2.gz FKONYWIWMBVIEX-KRWDZBQOSA-N 0 3 302.466 2.770 40 0 DFABHN CC(C)N1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216602 257125465 /nfs/dbraw/zinc/12/54/65/257125465.db2.gz VGBDJSYSOXRUHZ-QGZVFWFLSA-N 0 3 302.466 2.769 40 0 DFABHN CCOc1cc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)ccc1OC ZINC000095533491 257137558 /nfs/dbraw/zinc/13/75/58/257137558.db2.gz XAMIRCFLMWZGOL-INIZCTEOSA-N 0 3 324.384 2.927 40 0 DFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC ZINC000095533885 257137583 /nfs/dbraw/zinc/13/75/83/257137583.db2.gz SLJRNQKVOIIBED-INIZCTEOSA-N 0 3 324.384 2.845 40 0 DFABHN COc1ccc(OCc2n[nH]c([C@@H](N)c3ccc(C)cc3)n2)cc1 ZINC000095534116 257137801 /nfs/dbraw/zinc/13/78/01/257137801.db2.gz MTNPDLKTYBQJOC-KRWDZBQOSA-N 0 3 324.384 2.749 40 0 DFABHN O=C(c1ccccc1F)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000000355255 425555876 /nfs/dbraw/zinc/55/58/76/425555876.db2.gz ZWQFPOZFWKRNRG-XHSDSOJGSA-N 0 3 314.404 2.796 40 0 DFABHN CC1(C)NC(=N)NC(=N)N1c1cccc(CCc2ccccc2)c1 ZINC000001716432 425585511 /nfs/dbraw/zinc/58/55/11/425585511.db2.gz DPVIAFCXICQIMF-UHFFFAOYSA-N 0 3 321.428 2.657 40 0 DFABHN CCN(CC)CCOC(=O)c1cc(C(C)=O)nc2ccccc21 ZINC000001720857 425586204 /nfs/dbraw/zinc/58/62/04/425586204.db2.gz DHVNKAKPOJALMK-UHFFFAOYSA-N 0 3 314.385 2.936 40 0 DFABHN Cc1cc(-c2cnc(NCCN(C)C)nc2-c2ccco2)on1 ZINC000012184325 425721443 /nfs/dbraw/zinc/72/14/43/425721443.db2.gz IOTVUOQJFJYFJR-UHFFFAOYSA-N 0 3 313.361 2.674 40 0 DFABHN Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)N(C)CCN(C)C ZINC000012360886 425723601 /nfs/dbraw/zinc/72/36/01/425723601.db2.gz PYOOQWKQFCEEIY-UHFFFAOYSA-N 0 3 301.434 2.656 40 0 DFABHN FC(F)c1cc(N2CCNCC2)nc2nn(C3CCCC3)cc21 ZINC000012398909 425726011 /nfs/dbraw/zinc/72/60/11/425726011.db2.gz PNMKSLUEZPIQDU-UHFFFAOYSA-N 0 3 321.375 2.894 40 0 DFABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1 ZINC000019129306 425789650 /nfs/dbraw/zinc/78/96/50/425789650.db2.gz BWFYBIYGZLKPBK-MRXNPFEDSA-N 0 3 321.428 3.000 40 0 DFABHN Fc1ccccc1CN(CCCn1ccnc1)C[C@@H]1CCOC1 ZINC000036740360 425846182 /nfs/dbraw/zinc/84/61/82/425846182.db2.gz WGSJTHOLSRVNMB-INIZCTEOSA-N 0 3 317.408 2.951 40 0 DFABHN O=C(C[C@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)NCc1ccco1 ZINC000107745936 426002149 /nfs/dbraw/zinc/00/21/49/426002149.db2.gz QFPZSGHXRWIPRG-MUJYYYPQSA-N 0 3 316.426 2.725 40 0 DFABHN CNc1snc(C)c1C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000084026758 426231604 /nfs/dbraw/zinc/23/16/04/426231604.db2.gz RXURYLZSPSEJLE-TUAOUCFPSA-N 0 3 324.494 2.589 40 0 DFABHN Cc1nc(Cl)cc(N2CC[C@H](OCCN3CCCCC3)C2)n1 ZINC000084271796 426234987 /nfs/dbraw/zinc/23/49/87/426234987.db2.gz HXGZQTRKAGWLNV-AWEZNQCLSA-N 0 3 324.856 2.520 40 0 DFABHN Cc1cn2c(n1)[C@@H](CNCc1cccc3c1OCCO3)CCC2 ZINC000084257808 426235087 /nfs/dbraw/zinc/23/50/87/426235087.db2.gz HLFUCNAPZJPLCG-OAHLLOKOSA-N 0 3 313.401 2.630 40 0 DFABHN CC[C@@H](C(=O)NCCc1coc(-c2ccc(C)cc2)n1)N(C)C ZINC000084718731 426243979 /nfs/dbraw/zinc/24/39/79/426243979.db2.gz NMIUNEJPMNVTQS-INIZCTEOSA-N 0 3 315.417 2.649 40 0 DFABHN CCN1CCN([C@H](C)CNc2ccc3ccc(F)cc3n2)CC1 ZINC000084789277 426245449 /nfs/dbraw/zinc/24/54/49/426245449.db2.gz JWKMCSDMRGWBSL-CQSZACIVSA-N 0 3 316.424 2.812 40 0 DFABHN OCC1CCN(Cc2ccccc2NCc2cccnc2)CC1 ZINC000086257834 426256447 /nfs/dbraw/zinc/25/64/47/426256447.db2.gz BCYZGMDQTXAZJU-UHFFFAOYSA-N 0 3 311.429 2.898 40 0 DFABHN CN1CCC2(CC1)CN(C(=O)c1cccnc1)Cc1ccccc12 ZINC000096079586 426396723 /nfs/dbraw/zinc/39/67/23/426396723.db2.gz UKEVBGQAVYJIEY-UHFFFAOYSA-N 0 3 321.424 2.701 40 0 DFABHN FC(F)(F)c1ccnc(N2CC[C@@]3(CCN3CC3CC3)C2)n1 ZINC000096075982 426397044 /nfs/dbraw/zinc/39/70/44/426397044.db2.gz IAVZOCKTIHTILV-CQSZACIVSA-N 0 3 312.339 2.560 40 0 DFABHN O=C(C1CCC1)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157419 426402495 /nfs/dbraw/zinc/40/24/95/426402495.db2.gz DSTZSURHKUMYPM-UHFFFAOYSA-N 0 3 313.445 2.696 40 0 DFABHN O=C1CC[C@H]2[C@H](CCN2CCc2ccccc2)N1c1cccnc1 ZINC000096186472 426405083 /nfs/dbraw/zinc/40/50/83/426405083.db2.gz GLDIMNMNTHGESK-OALUTQOASA-N 0 3 321.424 2.894 40 0 DFABHN c1csc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)c1 ZINC000096048547 426390979 /nfs/dbraw/zinc/39/09/79/426390979.db2.gz BGAUJLZCNIIICF-GOEBONIOSA-N 0 3 303.431 2.941 40 0 DFABHN CN1c2ccccc2C2(CCN(Cc3ccccn3)CC2)C1=O ZINC000096052495 426392830 /nfs/dbraw/zinc/39/28/30/426392830.db2.gz KMUVVXRIUKFVDT-UHFFFAOYSA-N 0 3 307.397 2.592 40 0 DFABHN Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccco4)CCN3C2)c1 ZINC000096055131 426392876 /nfs/dbraw/zinc/39/28/76/426392876.db2.gz PZTLUQLXWROFCY-YJBOKZPZSA-N 0 3 316.376 2.756 40 0 DFABHN COc1ccccc1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC000096209440 426407726 /nfs/dbraw/zinc/40/77/26/426407726.db2.gz VOJMRUVCHSQUHD-HKUYNNGSSA-N 0 3 317.429 2.855 40 0 DFABHN CC(C)C(=O)N1CCC[C@@]2(CCCN2Cc2cccnc2)C1 ZINC000096214550 426408426 /nfs/dbraw/zinc/40/84/26/426408426.db2.gz LWSAUHZTLYSNPI-GOSISDBHSA-N 0 3 301.434 2.695 40 0 DFABHN CCCC(=O)N1CCC2(CCCN2Cc2cccnc2)CC1 ZINC000096227978 426409536 /nfs/dbraw/zinc/40/95/36/426409536.db2.gz QCPAJDZOAOIPFD-UHFFFAOYSA-N 0 3 301.434 2.839 40 0 DFABHN c1csc(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 ZINC000096218654 426409727 /nfs/dbraw/zinc/40/97/27/426409727.db2.gz WQMSIRWAGYLTBG-RDJZCZTQSA-N 0 3 316.426 2.956 40 0 DFABHN c1ccc(N[C@H]2COC3(C2)CCN(Cc2ccncc2)CC3)nc1 ZINC000096221298 426409839 /nfs/dbraw/zinc/40/98/39/426409839.db2.gz RYZHXCBYJDFURB-QGZVFWFLSA-N 0 3 324.428 2.712 40 0 DFABHN CCN1CCC2(CCC(=O)N2Cc2ccc(OC)cc2)CC1 ZINC000096228280 426410089 /nfs/dbraw/zinc/41/00/89/426410089.db2.gz KNUJIKBIDBQVBI-UHFFFAOYSA-N 0 3 302.418 2.672 40 0 DFABHN Cc1nc(CN2CC[C@H]3OCCN(CC4CC4)[C@H]3CC2)cs1 ZINC000096249307 426410761 /nfs/dbraw/zinc/41/07/61/426410761.db2.gz HAPMRTRXUGUEQB-DLBZAZTESA-N 0 3 321.490 2.527 40 0 DFABHN CN(CCc1ccncc1)Cc1cn(C)nc1-c1ccncc1 ZINC000195562037 426538485 /nfs/dbraw/zinc/53/84/85/426538485.db2.gz RYHMXFOPNLICOR-UHFFFAOYSA-N 0 3 307.401 2.552 40 0 DFABHN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCN(C)CC1 ZINC000225708333 426609646 /nfs/dbraw/zinc/60/96/46/426609646.db2.gz QZKGVVWBGVOIPV-CQSZACIVSA-N 0 3 316.445 2.543 40 0 DFABHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000251993664 427171351 /nfs/dbraw/zinc/17/13/51/427171351.db2.gz VKMJECAVNZFHJJ-QZTJIDSGSA-N 0 3 313.445 2.718 40 0 DFABHN CC[C@@H]1CN(CCCCC2CCOCC2)C[C@]2(CCOC2)O1 ZINC000252536627 427188466 /nfs/dbraw/zinc/18/84/66/427188466.db2.gz JAGPXAFKKYMNQE-MSOLQXFVSA-N 0 3 311.466 2.853 40 0 DFABHN COc1ccc(CCNCc2cnn(C(C)C)c2)cc1OC ZINC000256050299 427304640 /nfs/dbraw/zinc/30/46/40/427304640.db2.gz DNPWJIHGCFGXQL-UHFFFAOYSA-N 0 3 303.406 2.814 40 0 DFABHN c1cc2c(cccc2CN2CCOC[C@H](Cc3cnccn3)C2)[nH]1 ZINC000257208670 427310545 /nfs/dbraw/zinc/31/05/45/427310545.db2.gz BNCXOGMVFRTPML-OAHLLOKOSA-N 0 3 322.412 2.649 40 0 DFABHN O=C1CCC[C@]2(CN(Cc3ccccn3)C[C@H]2c2ccccc2)N1 ZINC000257263883 427328404 /nfs/dbraw/zinc/32/84/04/427328404.db2.gz LRWCPRJBRHYBKN-AZUAARDMSA-N 0 3 321.424 2.720 40 0 DFABHN CC(C)N1CC[C@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257262965 427328786 /nfs/dbraw/zinc/32/87/86/427328786.db2.gz LNUMHVVHBQLWKZ-NSHDSACASA-N 0 3 318.446 2.591 40 0 DFABHN COc1ccc([C@H]2Cn3ccnc3CN2Cc2cn[nH]c2C)cc1 ZINC000257269722 427331565 /nfs/dbraw/zinc/33/15/65/427331565.db2.gz MRCLUWJTMUASHH-QGZVFWFLSA-N 0 3 323.400 2.680 40 0 DFABHN Cc1cc(-n2ccnc2)ccc1CN1CCC[C@H](n2cncn2)C1 ZINC000192009611 427462685 /nfs/dbraw/zinc/46/26/85/427462685.db2.gz UHMDKXRLUKDWCV-SFHVURJKSA-N 0 3 322.416 2.609 40 0 DFABHN COC(=O)c1ccc(CNC[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000192037188 427467860 /nfs/dbraw/zinc/46/78/60/427467860.db2.gz GQFNFTINJOEMBX-YOEHRIQHSA-N 0 3 315.369 2.934 40 0 DFABHN C[C@@H]1CN(CCN2CC[C@H](C(F)(F)F)C(C)(C)C2)CCO1 ZINC000192845830 427621153 /nfs/dbraw/zinc/62/11/53/427621153.db2.gz VVNTVVJJHRQINM-OLZOCXBDSA-N 0 3 308.388 2.618 40 0 DFABHN CN(C)C(=O)C1CCN(CCSCc2ccccc2)CC1 ZINC000192525224 427556748 /nfs/dbraw/zinc/55/67/48/427556748.db2.gz KJYYHPMQEBILER-UHFFFAOYSA-N 0 3 306.475 2.720 40 0 DFABHN O=C(NC1CCN(CCSCc2ccccc2)CC1)C1CC1 ZINC000192543492 427563384 /nfs/dbraw/zinc/56/33/84/427563384.db2.gz QKZIOIVXPMWNAQ-UHFFFAOYSA-N 0 3 318.486 2.910 40 0 DFABHN O=C(CCNCc1sccc1Cl)NCc1cccnc1 ZINC000193059821 427656731 /nfs/dbraw/zinc/65/67/31/427656731.db2.gz KRVLKOONATWRCA-UHFFFAOYSA-N 0 3 309.822 2.593 40 0 DFABHN Cc1cccc(Cl)c1NC(=O)CN(C)CCN1CCCC1 ZINC000019364878 281221085 /nfs/dbraw/zinc/22/10/85/281221085.db2.gz UKFDMJGWVBAYQO-UHFFFAOYSA-N 0 3 309.841 2.615 40 0 DFABHN Cc1ccc(CN2C[C@H](c3nc(C)no3)C[C@H]3OCC[C@H]32)s1 ZINC000097953410 332203338 /nfs/dbraw/zinc/20/33/38/332203338.db2.gz JHOWWPNNWUGECB-BPLDGKMQSA-N 0 3 319.430 2.895 40 0 DFABHN CCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000078926070 185129641 /nfs/dbraw/zinc/12/96/41/185129641.db2.gz ZSXCQAZRHDPLBY-LSDHHAIUSA-N 0 3 304.438 2.658 40 0 DFABHN C[C@H](CNc1ccnc2c(F)ccc(F)c12)N1CCN(C)CC1 ZINC000078988181 185140975 /nfs/dbraw/zinc/14/09/75/185140975.db2.gz AKKBQRZAWIEPHW-GFCCVEGCSA-N 0 3 320.387 2.561 40 0 DFABHN COc1ccc([C@H](CO)N(C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000079091264 185156552 /nfs/dbraw/zinc/15/65/52/185156552.db2.gz JQMOQVIVTBVXAD-ZWKOTPCHSA-N 0 3 319.376 2.533 40 0 DFABHN Cc1ccc(F)cc1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000081997173 192352675 /nfs/dbraw/zinc/35/26/75/192352675.db2.gz JGNCFINFSMNHMA-UHFFFAOYSA-N 0 3 322.424 2.753 40 0 DFABHN CN1CC[C@@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 ZINC000585101747 398432056 /nfs/dbraw/zinc/43/20/56/398432056.db2.gz DLZWSMJZCLERTE-QGZVFWFLSA-N 0 3 322.836 2.806 40 0 DFABHN CN1CC[C@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 ZINC000585101746 398432072 /nfs/dbraw/zinc/43/20/72/398432072.db2.gz DLZWSMJZCLERTE-KRWDZBQOSA-N 0 3 322.836 2.806 40 0 DFABHN CN1CC[C@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585101956 398432547 /nfs/dbraw/zinc/43/25/47/398432547.db2.gz NFZLQFYFRSZXGD-KRWDZBQOSA-N 0 3 306.837 2.969 40 0 DFABHN Cc1cccnc1CNC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585287362 398439708 /nfs/dbraw/zinc/43/97/08/398439708.db2.gz YQYFKNHHNXSADJ-ATZDWAIDSA-N 0 3 312.413 2.698 40 0 DFABHN c1ccc(CO[C@@H]2CSC3(CN(CC4CCC4)C3)C2)nc1 ZINC000585105012 398433529 /nfs/dbraw/zinc/43/35/29/398433529.db2.gz NTDYHZYWTJLUNS-INIZCTEOSA-N 0 3 304.459 2.958 40 0 DFABHN CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225649997 186286743 /nfs/dbraw/zinc/28/67/43/186286743.db2.gz WBASAGFWKAIDJO-KRWDZBQOSA-N 0 3 308.422 2.771 40 0 DFABHN Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072359965 191130674 /nfs/dbraw/zinc/13/06/74/191130674.db2.gz ZNBGCCLNWJJRRE-CQSZACIVSA-N 0 3 312.421 2.906 40 0 DFABHN Cc1nc2cncc(Br)c2n1CCN1CCCC1 ZINC000096311310 398659699 /nfs/dbraw/zinc/65/96/99/398659699.db2.gz DKEHSTCBMWSKNM-UHFFFAOYSA-N 0 3 309.211 2.598 40 0 DFABHN Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)s1 ZINC000072373016 191139914 /nfs/dbraw/zinc/13/99/14/191139914.db2.gz WOCCFXDEZSUJFP-QWHCGFSZSA-N 0 3 315.442 2.580 40 0 DFABHN Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)s1 ZINC000072373016 191139916 /nfs/dbraw/zinc/13/99/16/191139916.db2.gz WOCCFXDEZSUJFP-QWHCGFSZSA-N 0 3 315.442 2.580 40 0 DFABHN Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cs1 ZINC000072373018 191140110 /nfs/dbraw/zinc/14/01/10/191140110.db2.gz XORPINNMBOVNPX-UONOGXRCSA-N 0 3 315.442 2.580 40 0 DFABHN Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cs1 ZINC000072373018 191140112 /nfs/dbraw/zinc/14/01/12/191140112.db2.gz XORPINNMBOVNPX-UONOGXRCSA-N 0 3 315.442 2.580 40 0 DFABHN c1cc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)ccn1 ZINC000072389913 191147798 /nfs/dbraw/zinc/14/77/98/191147798.db2.gz RAKIMWOKFRORFN-HNNXBMFYSA-N 0 3 307.357 2.516 40 0 DFABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4ccncc4)C[C@H]32)nc1 ZINC000072392557 191149033 /nfs/dbraw/zinc/14/90/33/191149033.db2.gz ZNJXVTREBITWSY-SCTDSRPQSA-N 0 3 309.413 2.515 40 0 DFABHN Cc1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1 ZINC000004707912 181140258 /nfs/dbraw/zinc/14/02/58/181140258.db2.gz FTCXTANXUNVWNR-UHFFFAOYSA-N 0 3 323.440 2.927 40 0 DFABHN Cc1cc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)no1 ZINC000195266597 201369744 /nfs/dbraw/zinc/36/97/44/201369744.db2.gz BPYKDHPKZXYBHZ-AWEZNQCLSA-N 0 3 320.462 2.702 40 0 DFABHN CC(C)(C)OC(=O)N1CC[C@](C)(CNCc2nccs2)C1 ZINC000195192143 201355964 /nfs/dbraw/zinc/35/59/64/201355964.db2.gz YJBCBEQJVQKXHY-OAHLLOKOSA-N 0 3 311.451 2.880 40 0 DFABHN CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@@H](C)C1 ZINC000078897232 398995532 /nfs/dbraw/zinc/99/55/32/398995532.db2.gz FFZSEKRMUXVZTA-SMDDNHRTSA-N 0 3 307.463 2.757 40 0 DFABHN CC(C)(C)[C@@H]1OCCC[C@@H]1CN[C@@H](C(N)=O)c1ccccc1 ZINC000195530445 201397749 /nfs/dbraw/zinc/39/77/49/201397749.db2.gz MVZPAGJWJORQOE-BZUAXINKSA-N 0 3 304.434 2.644 40 0 DFABHN Cc1nn(C)c(C)c1CN(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257300835 203025384 /nfs/dbraw/zinc/02/53/84/203025384.db2.gz RVWGTTGYQFKJNC-MRXNPFEDSA-N 0 3 313.449 2.533 40 0 DFABHN CO[C@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@@]12CCCO2 ZINC000257305521 203029966 /nfs/dbraw/zinc/02/99/66/203029966.db2.gz SQKISZIHFPICQG-ROUUACIJSA-N 0 3 300.402 2.938 40 0 DFABHN CNc1ncccc1CN1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257306553 203033036 /nfs/dbraw/zinc/03/30/36/203033036.db2.gz SUSUTVWRZOUSQS-CQSZACIVSA-N 0 3 322.416 2.774 40 0 DFABHN CC(C)c1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)[nH]n1 ZINC000257328298 203050768 /nfs/dbraw/zinc/05/07/68/203050768.db2.gz XFAZPTDNLWXSIO-RDJZCZTQSA-N 0 3 304.438 2.622 40 0 DFABHN O[C@H]1CCCOC12CCN(Cc1cccc3cccnc31)CC2 ZINC000257343518 203065078 /nfs/dbraw/zinc/06/50/78/203065078.db2.gz ZTIDRRLMZNOALX-KRWDZBQOSA-N 0 3 312.413 2.741 40 0 DFABHN CCC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1 ZINC000016739467 182059296 /nfs/dbraw/zinc/05/92/96/182059296.db2.gz XHMQPFJPUWCIMQ-ZBFHGGJFSA-N 0 3 305.418 2.751 40 0 DFABHN CCC(=O)c1ccc(OC[C@H](O)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016739458 182059620 /nfs/dbraw/zinc/05/96/20/182059620.db2.gz KKFOLMRJEYQFJU-HLLBOEOZSA-N 0 3 319.445 2.997 40 0 DFABHN C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@H]1CN(C)C ZINC000019078956 182104079 /nfs/dbraw/zinc/10/40/79/182104079.db2.gz OLLMDMYMUYCEOU-KGLIPLIRSA-N 0 3 308.397 2.536 40 0 DFABHN Cc1ccc(C2(CN3CCN(C[C@H]4CCOC4)CC3)CC2)cc1 ZINC000019208406 182107343 /nfs/dbraw/zinc/10/73/43/182107343.db2.gz BGAVAXFUUXJVIM-GOSISDBHSA-N 0 3 314.473 2.681 40 0 DFABHN CCOc1ccccc1CN[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000019520207 182127470 /nfs/dbraw/zinc/12/74/70/182127470.db2.gz YHRAOBHLLCHUCW-NVXWUHKLSA-N 0 3 316.401 2.729 40 0 DFABHN O=C(c1ccncc1)N1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC000063528490 184284567 /nfs/dbraw/zinc/28/45/67/184284567.db2.gz BBBWTEUJXRQTHO-FQEVSTJZSA-N 0 3 321.424 2.962 40 0 DFABHN c1cnn(-c2ccnc(N3CC[C@H](Nc4ccccc4)C3)c2)c1 ZINC000084553372 542511243 /nfs/dbraw/zinc/51/12/43/542511243.db2.gz FQEUAKBGUWAWOR-INIZCTEOSA-N 0 3 305.385 2.958 40 0 DFABHN CCc1nc(CNC[C@H]2CCO[C@@H]2c2cnn(CC)c2)cs1 ZINC000083830337 542504665 /nfs/dbraw/zinc/50/46/65/542504665.db2.gz LZXBLZMYHVVPJP-WBMJQRKESA-N 0 3 320.462 2.789 40 0 DFABHN Cn1cc([C@H]2OCC[C@@H]2CNCc2csc(C3CC3)n2)cn1 ZINC000084317604 542507822 /nfs/dbraw/zinc/50/78/22/542507822.db2.gz KOWFLXVNEKTSJS-DOMZBBRYSA-N 0 3 318.446 2.621 40 0 DFABHN CC[C@@H](OC[C@H](O)CN(C)C)c1ccc(Br)cc1 ZINC000072210034 257128390 /nfs/dbraw/zinc/12/83/90/257128390.db2.gz LNXNUAULYINQFB-ZIAGYGMSSA-N 0 3 316.239 2.839 40 0 DFABHN COc1ccccc1CN(C[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000248119405 158160074 /nfs/dbraw/zinc/16/00/74/158160074.db2.gz DGLCVUKHMSYRQZ-NVXWUHKLSA-N 0 3 305.418 2.713 40 0 DFABHN CC[C@H](C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000000299649 425551139 /nfs/dbraw/zinc/55/11/39/425551139.db2.gz GTDMBEAHNRSVAI-AWEZNQCLSA-N 0 3 304.434 2.822 40 0 DFABHN CCOCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010434066 425701735 /nfs/dbraw/zinc/70/17/35/425701735.db2.gz CQEMPIPBKZAXCW-UHFFFAOYSA-N 0 3 304.434 2.829 40 0 DFABHN c1ccc2c(c1)CN(CC1=CCCOC1)CC1(CCOCC1)O2 ZINC000012122195 425717082 /nfs/dbraw/zinc/71/70/82/425717082.db2.gz WKFRUPAWKSGQDX-UHFFFAOYSA-N 0 3 315.413 2.777 40 0 DFABHN c1ccc(CN2CC[C@@]3(C[C@@H](Nc4ccccn4)CO3)C2)cc1 ZINC000107226097 425986245 /nfs/dbraw/zinc/98/62/45/425986245.db2.gz ZFGZXWFEFLNVAI-IEBWSBKVSA-N 0 3 309.413 2.927 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccccc2OC(F)(F)F)C[C@@H](C)O1 ZINC000108350247 426014391 /nfs/dbraw/zinc/01/43/91/426014391.db2.gz CJAJZFIMGRQREW-NQBHXWOUSA-N 0 3 318.339 2.694 40 0 DFABHN Cc1nn2c(nc(C)c(C)c2N2CCNCC2)c1-c1ccccc1 ZINC000072341695 426015899 /nfs/dbraw/zinc/01/58/99/426015899.db2.gz YDGKKBKHUQOGOK-UHFFFAOYSA-N 0 3 321.428 2.731 40 0 DFABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1C)C2 ZINC000108533967 426017994 /nfs/dbraw/zinc/01/79/94/426017994.db2.gz VURXJFSRBAHPCK-AEFFLSMTSA-N 0 3 304.409 2.872 40 0 DFABHN CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000108533896 426018038 /nfs/dbraw/zinc/01/80/38/426018038.db2.gz VHQFZXJPOFUZNX-YJBOKZPZSA-N 0 3 304.409 2.906 40 0 DFABHN Cc1ccc(CN2CCC3(CC(NC(=O)N(C)C)C3)CC2)o1 ZINC000108535207 426018322 /nfs/dbraw/zinc/01/83/22/426018322.db2.gz HLLHOMQZTRNTHT-UHFFFAOYSA-N 0 3 305.422 2.604 40 0 DFABHN COc1ccc(-c2nc([C@H](N)c3cccc(OC)c3)n[nH]2)cc1 ZINC000095533514 426374276 /nfs/dbraw/zinc/37/42/76/426374276.db2.gz ZSEWBASXQHOFNK-OAHLLOKOSA-N 0 3 310.357 2.537 40 0 DFABHN c1ccc(CN2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)nc1 ZINC000096046954 426391221 /nfs/dbraw/zinc/39/12/21/426391221.db2.gz BPWAAOKHTGOQAN-HXUWFJFHSA-N 0 3 322.456 2.965 40 0 DFABHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)n1 ZINC000096057351 426393815 /nfs/dbraw/zinc/39/38/15/426393815.db2.gz BHLSJHGHBBEPMJ-MCIONIFRSA-N 0 3 305.403 2.934 40 0 DFABHN Cc1ccc(CN2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)o1 ZINC000096227813 426408697 /nfs/dbraw/zinc/40/86/97/426408697.db2.gz NYFVIIDZKPSCNG-INIZCTEOSA-N 0 3 302.418 2.859 40 0 DFABHN c1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)nc1 ZINC000096255316 426410945 /nfs/dbraw/zinc/41/09/45/426410945.db2.gz ICNWTXGGLAZEQN-UHFFFAOYSA-N 0 3 317.396 2.534 40 0 DFABHN CC(C)CN1CCOC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000096296471 426412375 /nfs/dbraw/zinc/41/23/75/426412375.db2.gz DICGTUXZKKTPSQ-CYBMUJFWSA-N 0 3 318.339 2.836 40 0 biogenic,in-vitro DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@@H]12 ZINC000248110844 426981987 /nfs/dbraw/zinc/98/19/87/426981987.db2.gz HFHZFOCWFVKYHD-UXHICEINSA-N 0 3 307.441 2.929 40 0 DFABHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000251566509 427161540 /nfs/dbraw/zinc/16/15/40/427161540.db2.gz HBEGYKGREYREFS-AEFFLSMTSA-N 0 3 313.445 2.718 40 0 DFABHN COc1cccc(CCNCc2cnn(CC(F)(F)F)c2)c1 ZINC000256050406 427304604 /nfs/dbraw/zinc/30/46/04/427304604.db2.gz DWHPKXVOPBOTAH-UHFFFAOYSA-N 0 3 313.323 2.786 40 0 DFABHN c1cnc([N-]c2cncc(C3CC[NH+](CC4CC4)CC3)n2)nc1 ZINC000257218347 427314764 /nfs/dbraw/zinc/31/47/64/427314764.db2.gz DCULENHMNSUYMB-UHFFFAOYSA-N 0 3 310.405 2.600 40 0 DFABHN CC(C)N1CC[C@@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257262964 427327264 /nfs/dbraw/zinc/32/72/64/427327264.db2.gz LNUMHVVHBQLWKZ-LLVKDONJSA-N 0 3 318.446 2.591 40 0 DFABHN CN(C)c1ncc(CN2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257301507 427333460 /nfs/dbraw/zinc/33/34/60/427333460.db2.gz RYTSTBTUJQPHBV-KRWDZBQOSA-N 0 3 311.433 2.535 40 0 DFABHN C[C@H]1CN(CCN2CC[C@H](C(F)(F)F)C(C)(C)C2)CCO1 ZINC000192845839 427621740 /nfs/dbraw/zinc/62/17/40/427621740.db2.gz VVNTVVJJHRQINM-STQMWFEESA-N 0 3 308.388 2.618 40 0 DFABHN Cc1ccc(F)c(NC(=O)[C@@H](NC2CCOCC2)C(C)C)c1 ZINC000192957537 427641806 /nfs/dbraw/zinc/64/18/06/427641806.db2.gz JSWDGOLIORHQRS-INIZCTEOSA-N 0 3 308.397 2.866 40 0 DFABHN CC[C@@H](C)N1C[C@]2(CCCN(Cc3cnc(C)s3)C2)C1=O ZINC000585099514 430479127 /nfs/dbraw/zinc/47/91/27/430479127.db2.gz PKQXHZJIFBAULM-MLGOLLRUSA-N 0 3 307.463 2.674 40 0 DFABHN COc1ccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000004094194 295085815 /nfs/dbraw/zinc/08/58/15/295085815.db2.gz VIFMFBHTJUIBPY-LESCRADOSA-N 0 3 314.429 2.642 40 0 DFABHN CC(C)/C=C\[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000017250258 331573884 /nfs/dbraw/zinc/57/38/84/331573884.db2.gz PZSSHNWVJGSMGY-YXGRLTDGSA-N 0 3 321.461 2.757 40 0 DFABHN CCCCN1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585103369 398432240 /nfs/dbraw/zinc/43/22/40/398432240.db2.gz BJTYGAJCCIDLTP-SFHVURJKSA-N 0 3 320.408 2.681 40 0 DFABHN CN1CC[C@@]12CCCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000585101958 398432513 /nfs/dbraw/zinc/43/25/13/398432513.db2.gz NFZLQFYFRSZXGD-QGZVFWFLSA-N 0 3 306.837 2.969 40 0 DFABHN CO[C@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1cccc(F)c1 ZINC000585275164 398438451 /nfs/dbraw/zinc/43/84/51/398438451.db2.gz YQMCLYAVZOJVEU-QAPCUYQASA-N 0 3 317.408 2.937 40 0 DFABHN CO[C@]1(COc2ccccc2)CCN(Cc2c(C)n[nH]c2C)C1 ZINC000585279296 398438704 /nfs/dbraw/zinc/43/87/04/398438704.db2.gz ZDJMJEOZMIKJND-GOSISDBHSA-N 0 3 315.417 2.696 40 0 DFABHN COCC[C@@H]1CCOC12CCN(Cc1cnn(C(C)C)c1)CC2 ZINC000585105525 398433141 /nfs/dbraw/zinc/43/31/41/398433141.db2.gz YVZFKFXLZGCPGN-QGZVFWFLSA-N 0 3 321.465 2.872 40 0 DFABHN C(O[C@@H]1CSC2(CN(C3CCCC3)C2)C1)C1CCOCC1 ZINC000585105298 398433296 /nfs/dbraw/zinc/43/32/96/398433296.db2.gz SNSWBGVHTGZJDK-INIZCTEOSA-N 0 3 311.491 2.932 40 0 DFABHN COCC[C@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 ZINC000585105270 398433316 /nfs/dbraw/zinc/43/33/16/398433316.db2.gz RVDZLZQGMWNJOR-INIZCTEOSA-N 0 3 304.434 2.798 40 0 DFABHN Cc1cnccc1CN1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269129 398437442 /nfs/dbraw/zinc/43/74/42/398437442.db2.gz KJEHOBFCODDZIH-GOSISDBHSA-N 0 3 316.376 2.545 40 0 DFABHN COC[C@H](O)CCN[C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000090950112 398498205 /nfs/dbraw/zinc/49/82/05/398498205.db2.gz GKKJOMQIINNVID-AEFFLSMTSA-N 0 3 319.445 2.766 40 0 DFABHN COc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000083877690 192388781 /nfs/dbraw/zinc/38/87/81/192388781.db2.gz HYHNNONZLKIUJI-CJNGLKHVSA-N 0 3 303.406 2.643 40 0 DFABHN c1cncc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)c1 ZINC000072389979 191147425 /nfs/dbraw/zinc/14/74/25/191147425.db2.gz RLJNBYGCQKEIEK-MRXNPFEDSA-N 0 3 321.384 2.906 40 0 DFABHN c1ccc(-c2nnc([C@H]3CCCN(Cc4cccnc4)C3)o2)nc1 ZINC000072390032 191147826 /nfs/dbraw/zinc/14/78/26/191147826.db2.gz XUBBVYRNMIWQMB-HNNXBMFYSA-N 0 3 321.384 2.906 40 0 DFABHN c1cncc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389982 191148241 /nfs/dbraw/zinc/14/82/41/191148241.db2.gz XJHXIPJHJJFOMY-MRXNPFEDSA-N 0 3 321.384 2.906 40 0 DFABHN c1cncc(CN2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389953 191148569 /nfs/dbraw/zinc/14/85/69/191148569.db2.gz WHECRPVVQVIFKR-INIZCTEOSA-N 0 3 321.384 2.906 40 0 DFABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 ZINC000096047176 283033469 /nfs/dbraw/zinc/03/34/69/283033469.db2.gz CWWBLIRHEJZCPW-KRWDZBQOSA-N 0 3 316.380 2.701 40 0 DFABHN COc1ccc(OC[C@@H](O)CN2CCCC2)c(C(C)(C)C)c1 ZINC000006306048 181327910 /nfs/dbraw/zinc/32/79/10/181327910.db2.gz UTEIJTKWZBHNHF-AWEZNQCLSA-N 0 3 307.434 2.828 40 0 DFABHN CCN(CC)c1ncc(CN[C@H](C)[C@@H](C)n2cccn2)s1 ZINC000078789725 398987663 /nfs/dbraw/zinc/98/76/63/398987663.db2.gz HNEVRDWNQGYAAJ-CHWSQXEVSA-N 0 3 307.467 2.925 40 0 DFABHN CCN(CC)c1ncc(CN[C@@H](C)[C@@H](C)n2cccn2)s1 ZINC000078789721 398987239 /nfs/dbraw/zinc/98/72/39/398987239.db2.gz HNEVRDWNQGYAAJ-QWHCGFSZSA-N 0 3 307.467 2.925 40 0 DFABHN CCn1nc(C)c(CN2CCC[C@@H](c3n[nH]cc3C)C2)c1C ZINC000257285492 203012391 /nfs/dbraw/zinc/01/23/91/203012391.db2.gz PHJZCYIJKZXJLQ-OAHLLOKOSA-N 0 3 301.438 2.931 40 0 DFABHN CN(C)C(=O)CN1CCC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257329074 203052891 /nfs/dbraw/zinc/05/28/91/203052891.db2.gz XIHMPRADAZYDSP-HNNXBMFYSA-N 0 3 311.429 2.578 40 0 DFABHN Cc1ccc([O-])c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262082574 203193587 /nfs/dbraw/zinc/19/35/87/203193587.db2.gz QRCVUTBUAYPGJY-UHFFFAOYSA-N 0 3 317.414 2.876 40 0 DFABHN C[C@@H](NC[C@H](C)CO)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553513 399185074 /nfs/dbraw/zinc/18/50/74/399185074.db2.gz QLCWONAOFXJIHH-VHSXEESVSA-N 0 3 315.339 2.871 40 0 DFABHN Oc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000195575890 399188256 /nfs/dbraw/zinc/18/82/56/399188256.db2.gz IORNYTCDRNWVQQ-GOSISDBHSA-N 0 3 305.418 2.942 40 0 DFABHN CC(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019016246 182103937 /nfs/dbraw/zinc/10/39/37/182103937.db2.gz ICUAGVHUWJGDRR-UHFFFAOYSA-N 0 3 302.418 2.671 40 0 DFABHN Cc1occc1-c1cc2nc(C)c(C)c(NCCN(C)C)n2n1 ZINC000019555736 182130223 /nfs/dbraw/zinc/13/02/23/182130223.db2.gz ORTNWNZAKSVEBZ-UHFFFAOYSA-N 0 3 313.405 2.888 40 0 DFABHN COc1ccc(CN2CCC[C@@H](c3cnccn3)C2)cc1OC ZINC000019561004 182130636 /nfs/dbraw/zinc/13/06/36/182130636.db2.gz BKIAIVYJUSRCMP-OAHLLOKOSA-N 0 3 313.401 2.873 40 0 DFABHN CN(C)CCN1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019582862 182132500 /nfs/dbraw/zinc/13/25/00/182132500.db2.gz IEKLDGWQEAETGD-UHFFFAOYSA-N 0 3 321.896 2.551 40 0 DFABHN CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1 ZINC000019878906 182160324 /nfs/dbraw/zinc/16/03/24/182160324.db2.gz MMRJQIQJHVBVQY-UHFFFAOYSA-N 0 3 314.385 2.716 40 0 DFABHN CC[C@@H](OC[C@@H](O)CN(C)C)c1ccc(Br)cc1 ZINC000072210036 257127906 /nfs/dbraw/zinc/12/79/06/257127906.db2.gz LNXNUAULYINQFB-UONOGXRCSA-N 0 3 316.239 2.839 40 0 DFABHN CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](O)(CN)c1ccccc1 ZINC000072208046 257128035 /nfs/dbraw/zinc/12/80/35/257128035.db2.gz ABCTVXSHTFGKGD-MAUKXSAKSA-N 0 3 320.433 2.623 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000022145779 257129599 /nfs/dbraw/zinc/12/95/99/257129599.db2.gz RIFUGEVYTBABST-JTNHKYCSSA-N 0 3 302.340 2.814 40 0 DFABHN N[C@@H](CC1CCCCC1)C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000333806079 543122505 /nfs/dbraw/zinc/12/25/05/543122505.db2.gz IMXWCZQZKAORPG-JKSUJKDBSA-N 0 3 322.474 2.946 40 0 DFABHN CC1(C)NC(=N)NC(=N)N1c1ccc(CCc2ccccc2)cc1 ZINC000001716433 425584299 /nfs/dbraw/zinc/58/42/99/425584299.db2.gz CHDGHUKZJREWGV-UHFFFAOYSA-N 0 3 321.428 2.657 40 0 DFABHN COc1ccccc1CN(C[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000012187564 425722361 /nfs/dbraw/zinc/72/23/61/425722361.db2.gz DGLCVUKHMSYRQZ-WBVHZDCISA-N 0 3 305.418 2.713 40 0 DFABHN Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccccn1)C2 ZINC000012337967 425723732 /nfs/dbraw/zinc/72/37/32/425723732.db2.gz YWYCONLBHDYGCM-XEWABKELSA-N 0 3 323.440 2.905 40 0 DFABHN COCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221078 425820123 /nfs/dbraw/zinc/82/01/23/425820123.db2.gz OVMOYXKFTCNZLF-HNNXBMFYSA-N 0 3 324.852 2.705 40 0 DFABHN Cc1cccc(CN2CC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)n1 ZINC000107226032 425986424 /nfs/dbraw/zinc/98/64/24/425986424.db2.gz UJIULTFOMYEFJM-MOPGFXCFSA-N 0 3 324.428 2.631 40 0 DFABHN CCN1CC2(CCC1=O)CCN(Cc1ccccc1OC)CC2 ZINC000108525335 426018069 /nfs/dbraw/zinc/01/80/69/426018069.db2.gz YDXAWOUDQGPHHD-UHFFFAOYSA-N 0 3 316.445 2.920 40 0 DFABHN c1cnc(NC2CC3(C2)CCN(Cc2cccnc2)CC3)nc1 ZINC000108531101 426018204 /nfs/dbraw/zinc/01/82/04/426018204.db2.gz LOYXFCHMFKZIEC-UHFFFAOYSA-N 0 3 309.417 2.728 40 0 DFABHN C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1F ZINC000078757758 426185209 /nfs/dbraw/zinc/18/52/09/426185209.db2.gz CMEVCXDRLGKBNY-DGCLKSJQSA-N 0 3 311.376 2.761 40 0 DFABHN C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccc(F)cc1F ZINC000078757747 426185262 /nfs/dbraw/zinc/18/52/62/426185262.db2.gz CMEVCXDRLGKBNY-YPMHNXCESA-N 0 3 311.376 2.761 40 0 DFABHN NC(=O)c1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000084398244 426237100 /nfs/dbraw/zinc/23/71/00/426237100.db2.gz OLOZLDORVMMVBG-UHFFFAOYSA-N 0 3 308.381 2.780 40 0 DFABHN CC[C@H](C(=O)NCCc1coc(-c2ccc(C)cc2)n1)N(C)C ZINC000084718732 426244012 /nfs/dbraw/zinc/24/40/12/426244012.db2.gz NMIUNEJPMNVTQS-MRXNPFEDSA-N 0 3 315.417 2.649 40 0 DFABHN O=C1[C@H]2CN(Cc3ccncc3)C[C@@H]2CCN1c1ccsc1 ZINC000096082110 426396072 /nfs/dbraw/zinc/39/60/72/426396072.db2.gz DQPIREZCLOLGOW-HOCLYGCPSA-N 0 3 313.426 2.628 40 0 DFABHN COCCN1CCCC[C@]12CC(=O)N(c1ccc(C)cc1)C2 ZINC000096071660 426396133 /nfs/dbraw/zinc/39/61/33/426396133.db2.gz QNBOISRDTWKLIH-GOSISDBHSA-N 0 3 302.418 2.603 40 0 DFABHN O=C(C1CC=CC1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096070939 426396404 /nfs/dbraw/zinc/39/64/04/426396404.db2.gz VISWWLMYYISFRL-UHFFFAOYSA-N 0 3 302.443 2.749 40 0 DFABHN CO[C@@H]1CCN(Cc2ccoc2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108598 426399309 /nfs/dbraw/zinc/39/93/09/426399309.db2.gz YZSYIMQNKYOCIP-RCCFBDPRSA-N 0 3 316.401 2.594 40 0 DFABHN COc1cccc(CN2CCC3(CC2)CCN(C(C)=O)CC3)c1 ZINC000096158419 426401220 /nfs/dbraw/zinc/40/12/20/426401220.db2.gz MTTRKMYXASXWST-UHFFFAOYSA-N 0 3 316.445 2.920 40 0 DFABHN Cc1cccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)n1 ZINC000096158250 426401667 /nfs/dbraw/zinc/40/16/67/426401667.db2.gz BCXFYKGZJUONSW-IBGZPJMESA-N 0 3 323.444 2.673 40 0 DFABHN c1cc(COCc2cncc3c2CCN(CC2CC2)C3)ccn1 ZINC000096189435 426404688 /nfs/dbraw/zinc/40/46/88/426404688.db2.gz CDJMICIFZSTINM-UHFFFAOYSA-N 0 3 309.413 2.962 40 0 DFABHN Cc1ccc(CN2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)o1 ZINC000096047795 426390492 /nfs/dbraw/zinc/39/04/92/426390492.db2.gz WZXWFIVEWBKDCV-OAHLLOKOSA-N 0 3 315.417 2.860 40 0 DFABHN Cc1nc([C@H]2C[C@@H]3CCN(Cc4cccs4)C[C@H]3O2)n[nH]1 ZINC000096046196 426391567 /nfs/dbraw/zinc/39/15/67/426391567.db2.gz BZAOJECUJMHIRD-IACUBPJLSA-N 0 3 304.419 2.527 40 0 DFABHN Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4cccs4)C[C@H]3O2)[n-]1 ZINC000096046196 426391568 /nfs/dbraw/zinc/39/15/68/426391568.db2.gz BZAOJECUJMHIRD-IACUBPJLSA-N 0 3 304.419 2.527 40 0 DFABHN Cc1nnc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccs4)C[C@H]3O2)[n-]1 ZINC000096046196 426391569 /nfs/dbraw/zinc/39/15/69/426391569.db2.gz BZAOJECUJMHIRD-IACUBPJLSA-N 0 3 304.419 2.527 40 0 DFABHN Cc1nnc([C@H]2C[C@@H]3CCN(Cc4cccs4)C[C@H]3O2)[nH]1 ZINC000096046196 426391570 /nfs/dbraw/zinc/39/15/70/426391570.db2.gz BZAOJECUJMHIRD-IACUBPJLSA-N 0 3 304.419 2.527 40 0 DFABHN Fc1cccc(N2CCC[C@@]3(CN(CC4CC4)CCO3)C2)c1 ZINC000096049092 426392513 /nfs/dbraw/zinc/39/25/13/426392513.db2.gz BCPGIXZXSWIMHS-GOSISDBHSA-N 0 3 304.409 2.907 40 0 DFABHN O=C1N(c2cccnc2)CC12CCN(Cc1cccs1)CC2 ZINC000096202947 426408231 /nfs/dbraw/zinc/40/82/31/426408231.db2.gz CGZDOHWFRZZAIS-UHFFFAOYSA-N 0 3 313.426 2.772 40 0 DFABHN Cc1ccsc1CN1C[C@@H]2C[C@@H](Cc3nnc(C)o3)O[C@@H]2C1 ZINC000096209677 426408369 /nfs/dbraw/zinc/40/83/69/426408369.db2.gz FIYRDJRIPYVTHE-MELADBBJSA-N 0 3 319.430 2.580 40 0 DFABHN Cc1cc(C2CCN(Cc3cccn3C)CC2)nc2ccnn21 ZINC000257203111 427308614 /nfs/dbraw/zinc/30/86/14/427308614.db2.gz AOSODSUDZUCNFH-UHFFFAOYSA-N 0 3 309.417 2.756 40 0 DFABHN CC(C)N1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257203069 427309044 /nfs/dbraw/zinc/30/90/44/427309044.db2.gz AOOJTDQZFDJGNI-JTQLQIEISA-N 0 3 313.327 2.731 40 0 DFABHN Cc1ccccc1OCC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257219324 427314681 /nfs/dbraw/zinc/31/46/81/427314681.db2.gz DGKBYUCGOXGKQE-HKUYNNGSSA-N 0 3 316.445 2.849 40 0 DFABHN Cc1ncc2cncc([C@H]3CCCN(Cc4cccnc4)C3)n21 ZINC000257214397 427315129 /nfs/dbraw/zinc/31/51/29/427315129.db2.gz CLVKCFVEZZWTSO-INIZCTEOSA-N 0 3 307.401 2.812 40 0 DFABHN CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)[nH]n1 ZINC000257234568 427316637 /nfs/dbraw/zinc/31/66/37/427316637.db2.gz GUEICOVVSLOMNK-RDJZCZTQSA-N 0 3 304.438 2.622 40 0 DFABHN c1cc([C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257227755 427317855 /nfs/dbraw/zinc/31/78/55/427317855.db2.gz FQSSEGKQPSYMOK-MRXNPFEDSA-N 0 3 305.385 2.856 40 0 DFABHN c1ccc(CCCN2CC3(C2)CO[C@@H](Cc2cncnc2)C3)cc1 ZINC000257235221 427319673 /nfs/dbraw/zinc/31/96/73/427319673.db2.gz GWYCMRNDLZDPDK-IBGZPJMESA-N 0 3 323.440 2.743 40 0 DFABHN CN(C)C[C@H]1CCn2nccc2CN1Cc1cccc2[nH]ccc21 ZINC000585096996 430478111 /nfs/dbraw/zinc/47/81/11/430478111.db2.gz GLNWAKSXWRKWSM-MRXNPFEDSA-N 0 3 323.444 2.701 40 0 DFABHN CC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000004192314 278248746 /nfs/dbraw/zinc/24/87/46/278248746.db2.gz ODPNZLMTXRXZDB-ZQIUZPCESA-N 0 3 305.418 2.892 40 0 DFABHN C[C@@H]1CN(CCN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CCO1 ZINC000249365960 288172920 /nfs/dbraw/zinc/17/29/20/288172920.db2.gz VVNTVVJJHRQINM-CHWSQXEVSA-N 0 3 308.388 2.618 40 0 DFABHN O=C1c2cc3c(cc2CC[C@H]1CN1CCCCC1)OCCO3 ZINC000005511142 280330868 /nfs/dbraw/zinc/33/08/68/280330868.db2.gz CSLJRPOTQZPSSN-AWEZNQCLSA-N 0 3 301.386 2.689 40 0 DFABHN N[C@@H]1CC2(CCC2)S(=O)(=O)c2cc(Br)ccc21 ZINC000306145779 295296151 /nfs/dbraw/zinc/29/61/51/295296151.db2.gz PTNZKVBHKJWGJC-SNVBAGLBSA-N 0 3 316.220 2.549 40 0 DFABHN CCn1nncc1CN[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000579211385 318314800 /nfs/dbraw/zinc/31/48/00/318314800.db2.gz IRYSDSUELUHEIH-CYBMUJFWSA-N 0 3 309.417 2.735 40 0 DFABHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccnc1Cl ZINC000079044159 185148568 /nfs/dbraw/zinc/14/85/68/185148568.db2.gz OVRREQWULMRLMS-AWEZNQCLSA-N 0 3 317.820 2.638 40 0 DFABHN C[C@H](NC1(CNC(=O)[C@@H]2C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000079096266 185157841 /nfs/dbraw/zinc/15/78/41/185157841.db2.gz SYOBOMBPOZRWFH-YQQAZPJKSA-N 0 3 316.445 2.659 40 0 DFABHN c1coc(CN2C[C@H]3c4cnc(NCC5CC5)nc4C[C@@H]3C2)c1 ZINC000306135950 231087615 /nfs/dbraw/zinc/08/76/15/231087615.db2.gz PFAQMQIIIRWRQL-CZUORRHYSA-N 0 3 310.401 2.663 40 0 DFABHN c1coc(CN2CCC(c3nnc4ncc(C5CC5)cn43)CC2)c1 ZINC000306144033 231091663 /nfs/dbraw/zinc/09/16/63/231091663.db2.gz YTXYUMHKHPFJPO-UHFFFAOYSA-N 0 3 323.400 2.974 40 0 DFABHN Cc1ccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000022927692 398421376 /nfs/dbraw/zinc/42/13/76/398421376.db2.gz IRUPNPVCSZGXMP-HZPDHXFCSA-N 0 3 319.449 2.594 40 0 DFABHN Cc1ccccc1OC[C@]1(O)CCN(Cc2ccncc2C)C1 ZINC000585275902 398438178 /nfs/dbraw/zinc/43/81/78/398438178.db2.gz GJZAGMAEKBENCY-IBGZPJMESA-N 0 3 312.413 2.714 40 0 DFABHN CN(CC(=O)Nc1ccccc1C(N)=O)C1CCCCCCC1 ZINC000083858906 192387625 /nfs/dbraw/zinc/38/76/25/192387625.db2.gz SBGUZCXFNNNMES-UHFFFAOYSA-N 0 3 317.433 2.769 40 0 DFABHN COCCN(CCN(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000083851025 192386509 /nfs/dbraw/zinc/38/65/09/192386509.db2.gz RAEZDHZITMLOKW-UHFFFAOYSA-N 0 3 319.232 2.644 40 0 DFABHN CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225611059 186283207 /nfs/dbraw/zinc/28/32/07/186283207.db2.gz PBFYPJDUDDCZRP-KRWDZBQOSA-N 0 3 308.422 2.771 40 0 DFABHN COCCN1CCC[C@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072363496 191132999 /nfs/dbraw/zinc/13/29/99/191132999.db2.gz WGWYOUQWMHXYAI-LBPRGKRZSA-N 0 3 319.434 2.503 40 0 DFABHN CC(C)CC[C@](O)(C(=O)OCCN1CCCC1)c1ccccc1 ZINC000004416221 181108190 /nfs/dbraw/zinc/10/81/90/181108190.db2.gz YWXOVVJESJSUMQ-LJQANCHMSA-N 0 3 319.445 2.949 40 0 DFABHN CN1CCC[C@@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCC2)C1 ZINC000005119319 181205879 /nfs/dbraw/zinc/20/58/79/181205879.db2.gz FBTZRJBLUHAQKJ-IAGOWNOFSA-N 0 3 317.429 2.713 40 0 DFABHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(F)ccc1C)CC2 ZINC000180193784 199128796 /nfs/dbraw/zinc/12/87/96/199128796.db2.gz FGAXHXUIWLSKIJ-IAGOWNOFSA-N 0 3 307.409 2.886 40 0 DFABHN C[C@H]1Cc2cc(C(=O)N3CCCC[C@@H]3CN(C)C)ccc2O1 ZINC000019497950 291161934 /nfs/dbraw/zinc/16/19/34/291161934.db2.gz WQZVCCYENPAXON-XJKSGUPXSA-N 0 3 302.418 2.566 40 0 DFABHN Nc1cc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccn1 ZINC000193442036 201051398 /nfs/dbraw/zinc/05/13/98/201051398.db2.gz FHWIWCQCSCGSSS-IRXDYDNUSA-N 0 3 315.392 2.891 40 0 DFABHN C[C@H](CCN1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000194819800 201296329 /nfs/dbraw/zinc/29/63/29/201296329.db2.gz BQORAQGVSHAFDX-SJORKVTESA-N 0 3 304.478 2.957 40 0 DFABHN C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(F)c1F ZINC000078898576 398996987 /nfs/dbraw/zinc/99/69/87/398996987.db2.gz IYTWIVRGUDROOB-NHYWBVRUSA-N 0 3 308.372 2.701 40 0 DFABHN COc1cccc(OC)c1CN1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 ZINC000257273991 203002820 /nfs/dbraw/zinc/00/28/20/203002820.db2.gz NJBRLPOTXDPAJR-XWIAVFTESA-N 0 3 305.418 2.829 40 0 DFABHN COc1ncc(CN2CCC[C@@H]2CCc2ccnc(C)c2)cn1 ZINC000257318927 203044028 /nfs/dbraw/zinc/04/40/28/203044028.db2.gz VPZKFHFBTLJXJO-QGZVFWFLSA-N 0 3 312.417 2.786 40 0 DFABHN COc1ccc2c(c1)OCCC[C@@H]2NCC[C@@H](C)[S@@](C)=O ZINC000195561744 399186819 /nfs/dbraw/zinc/18/68/19/399186819.db2.gz HIBBGXNRGBDLKT-PYDTXJQDSA-N 0 3 311.447 2.656 40 0 DFABHN CCCSc1ncc(CN(C)CCN2CCCCC2)cn1 ZINC000019525198 182127932 /nfs/dbraw/zinc/12/79/32/182127932.db2.gz LWBSMEQPZVJNEN-UHFFFAOYSA-N 0 3 308.495 2.896 40 0 DFABHN CN(C)CCN(Cc1ccncc1)Cc1cc(F)ccc1F ZINC000019582699 182132215 /nfs/dbraw/zinc/13/22/15/182132215.db2.gz WJBPJHNEKRVMOD-UHFFFAOYSA-N 0 3 305.372 2.924 40 0 DFABHN CN(C)CCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000020492937 182224117 /nfs/dbraw/zinc/22/41/17/182224117.db2.gz NTKGBDVLBIAIPT-UHFFFAOYSA-N 0 3 321.273 2.904 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000022168070 182311938 /nfs/dbraw/zinc/31/19/38/182311938.db2.gz NOVVOAJSVRVRGX-WDMOLILDSA-N 0 3 313.239 2.558 40 0 DFABHN O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3ccncc3)CC2)N1 ZINC000096061424 284836671 /nfs/dbraw/zinc/83/66/71/284836671.db2.gz BOUNGCXBAFKNMU-SFHVURJKSA-N 0 3 321.424 2.720 40 0 DFABHN O=Cc1cn(-c2ccccc2)nc1C1=CC2C=CC=C[C@@H]2OC1=O ZINC000000804859 285033149 /nfs/dbraw/zinc/03/31/49/285033149.db2.gz NDHJKZQRXWLWKI-GUYCJALGSA-N 0 3 318.332 2.736 40 0 DFABHN c1cnn(-c2ccnc(N3CC[C@@H](Nc4ccccc4)C3)c2)c1 ZINC000084553369 542511339 /nfs/dbraw/zinc/51/13/39/542511339.db2.gz FQEUAKBGUWAWOR-MRXNPFEDSA-N 0 3 305.385 2.958 40 0 DFABHN CCN(CC)c1ncc(CNC[C@@H]2CCCn3ccnc32)s1 ZINC000084774531 542515109 /nfs/dbraw/zinc/51/51/09/542515109.db2.gz PLRIYVJLADVNOJ-ZDUSSCGKSA-N 0 3 319.478 2.853 40 0 DFABHN N[C@@H](c1ccccc1)c1ccc(I)nc1 ZINC000072225938 257123591 /nfs/dbraw/zinc/12/35/91/257123591.db2.gz KAROVFOCIJEJFQ-LBPRGKRZSA-N 0 3 310.138 2.734 40 0 DFABHN CCN(CC)CCOC(=O)c1cccc(Br)c1 ZINC000003160043 425610436 /nfs/dbraw/zinc/61/04/36/425610436.db2.gz KEYZRIMJZVBLPH-UHFFFAOYSA-N 0 3 300.196 2.948 40 0 DFABHN CC(C)/C=C/[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000001640773 425585113 /nfs/dbraw/zinc/58/51/13/425585113.db2.gz PZSSHNWVJGSMGY-JWUWVAEESA-N 0 3 321.461 2.757 40 0 DFABHN CCCCOc1c(N)cccc1C(=O)OCCN(CC)CC ZINC000001672765 425585705 /nfs/dbraw/zinc/58/57/05/425585705.db2.gz LJQWYEFHNLTPBZ-UHFFFAOYSA-N 0 3 308.422 2.946 40 0 in-man DFABHN COc1cccc([C@@H](Cc2ccccc2)NC[C@H](C)O)c1OC ZINC000001666325 425585763 /nfs/dbraw/zinc/58/57/63/425585763.db2.gz ZHZJTNMMMGZJNB-WMLDXEAASA-N 0 3 315.413 2.958 40 0 DFABHN CCn1cc(CNCCc2ccc(OC)c(OC)c2)c(C)n1 ZINC000002536454 425595509 /nfs/dbraw/zinc/59/55/09/425595509.db2.gz AJPPSIDOYREVGV-UHFFFAOYSA-N 0 3 303.406 2.561 40 0 DFABHN CCN(CCO)[C@@H](c1ccccc1)[C@H](O)c1ccc(OC)cc1 ZINC000004777728 425621247 /nfs/dbraw/zinc/62/12/47/425621247.db2.gz CTWREZPMNIHLLW-RBUKOAKNSA-N 0 3 315.413 2.784 40 0 DFABHN Cc1cc2occ(CC(=O)N[C@@H]3CCCN(C)C3)c2cc1C ZINC000012195214 425722491 /nfs/dbraw/zinc/72/24/91/425722491.db2.gz GHALEWRWUCZBSC-OAHLLOKOSA-N 0 3 300.402 2.803 40 0 DFABHN COc1cccc2c1CCN(Cc1cnn3ccccc13)CC2 ZINC000194571465 268108089 /nfs/dbraw/zinc/10/80/89/268108089.db2.gz VZJHQGBCSNCLLV-UHFFFAOYSA-N 0 3 307.397 2.944 40 0 DFABHN CCN1CC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C[C@@H]1C ZINC000104135361 425959321 /nfs/dbraw/zinc/95/93/21/425959321.db2.gz REFZWWCXCXTUFF-HSYXRWIHSA-N 0 3 322.474 2.792 40 0 DFABHN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1 ZINC000113970957 426125316 /nfs/dbraw/zinc/12/53/16/426125316.db2.gz KRVXYRPMBLBTPD-QGZVFWFLSA-N 0 3 304.434 2.671 40 0 DFABHN CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](N(C)C)C2)on1 ZINC000084727741 426244641 /nfs/dbraw/zinc/24/46/41/426244641.db2.gz FUEFCJZJMKVDOV-CQSZACIVSA-N 0 3 322.453 2.814 40 0 DFABHN OCC1CCN(Cc2cccc(NCc3cccnc3)c2)CC1 ZINC000086258097 426256720 /nfs/dbraw/zinc/25/67/20/426256720.db2.gz YISAHIYQQPGURT-UHFFFAOYSA-N 0 3 311.429 2.898 40 0 DFABHN Cc1csc(CNc2cccc(CN3CCN(C)CC3)c2)n1 ZINC000080196320 426211752 /nfs/dbraw/zinc/21/17/52/426211752.db2.gz KIUIFZFCDUDNJY-UHFFFAOYSA-N 0 3 316.474 2.811 40 0 DFABHN Fc1ccc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)cc1 ZINC000096059746 426394810 /nfs/dbraw/zinc/39/48/10/426394810.db2.gz DQMKMBDCSJGDLQ-QGZVFWFLSA-N 0 3 315.392 2.836 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@H]12 ZINC000096100382 426397357 /nfs/dbraw/zinc/39/73/57/426397357.db2.gz CHYJWVKVZYFTJL-AZUAARDMSA-N 0 3 321.424 2.570 40 0 DFABHN CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000096107225 426397423 /nfs/dbraw/zinc/39/74/23/426397423.db2.gz KMZYDZYQCWBDCR-MSOLQXFVSA-N 0 3 305.418 2.855 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3nccs3)C[C@H]12 ZINC000096100376 426397970 /nfs/dbraw/zinc/39/79/70/426397970.db2.gz OQCHDABNZFQHRS-FUHWJXTLSA-N 0 3 313.470 2.991 40 0 DFABHN COC[C@H]1COCCC12CCN(Cc1ccccc1OC)CC2 ZINC000096106325 426398168 /nfs/dbraw/zinc/39/81/68/426398168.db2.gz IJFQYXPGECJKMP-KRWDZBQOSA-N 0 3 319.445 2.960 40 0 DFABHN c1cc(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096107595 426399449 /nfs/dbraw/zinc/39/94/49/426399449.db2.gz DBWJRKARIMVWLI-IRXDYDNUSA-N 0 3 316.426 2.956 40 0 DFABHN CN(C)CCN1CCN(Cc2cccs2)Cc2cccnc21 ZINC000096198828 426405917 /nfs/dbraw/zinc/40/59/17/426405917.db2.gz SMEPRUOFHVOODX-UHFFFAOYSA-N 0 3 316.474 2.527 40 0 DFABHN CC[C@@H]1N(CCOCc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC000096038503 426389519 /nfs/dbraw/zinc/38/95/19/426389519.db2.gz FWRJGTSJMSOAAN-HKUYNNGSSA-N 0 3 316.445 2.726 40 0 DFABHN CC[C@@H]1N(Cc2cccc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096038500 426389808 /nfs/dbraw/zinc/38/98/08/426389808.db2.gz FRHOJAUVDHABCG-WMZOPIPTSA-N 0 3 302.418 2.718 40 0 DFABHN Fc1cnc(N2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 ZINC000096047172 426390720 /nfs/dbraw/zinc/39/07/20/426390720.db2.gz DMAFELXCNMXSFD-KRWDZBQOSA-N 0 3 316.380 2.701 40 0 DFABHN O=C(c1ccc[nH]1)N1CCC[C@]2(CCCN2Cc2cccnc2)C1 ZINC000096214907 426407257 /nfs/dbraw/zinc/40/72/57/426407257.db2.gz FLYNTEVQYKYPRJ-IBGZPJMESA-N 0 3 324.428 2.681 40 0 DFABHN Cc1cnc(N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)nc1 ZINC000096214912 426407347 /nfs/dbraw/zinc/40/73/47/426407347.db2.gz ICBFPDOTRARWEX-LJQANCHMSA-N 0 3 323.444 2.815 40 0 DFABHN c1ccc(N[C@H]2CCO[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096207471 426408558 /nfs/dbraw/zinc/40/85/58/426408558.db2.gz XAIUVNAMQRPICW-PKOBYXMFSA-N 0 3 324.428 2.712 40 0 DFABHN Cc1cccc(CN2CCc3ncnc(NC4CCC4)c3CC2)n1 ZINC000096255759 426411422 /nfs/dbraw/zinc/41/14/22/426411422.db2.gz AXEHMFGEUDHADJ-UHFFFAOYSA-N 0 3 323.444 2.745 40 0 DFABHN CC(C)CN1C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000096244866 426411438 /nfs/dbraw/zinc/41/14/38/426411438.db2.gz OXPPVJLNVOEJFX-ZBFHGGJFSA-N 0 3 306.837 2.681 40 0 DFABHN COc1ccc(CCNCc2ccnn2C(C)C)cc1OC ZINC000256053463 427304567 /nfs/dbraw/zinc/30/45/67/427304567.db2.gz ROFCXBRDFFNPMU-UHFFFAOYSA-N 0 3 303.406 2.814 40 0 DFABHN Cc1cccc(CN2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)n1 ZINC000257200871 427309302 /nfs/dbraw/zinc/30/93/02/427309302.db2.gz AFEKTZTVMCJSRA-BPQIPLTHSA-N 0 3 323.444 2.527 40 0 DFABHN Cc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)cc1 ZINC000257220314 427313067 /nfs/dbraw/zinc/31/30/67/427313067.db2.gz DKJASUNXGNGEEC-HKUYNNGSSA-N 0 3 316.445 2.849 40 0 DFABHN CC(C)N1CCC[C@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 ZINC000257213905 427314954 /nfs/dbraw/zinc/31/49/54/427314954.db2.gz CJPOEUCQBVIDAF-ZDUSSCGKSA-N 0 3 318.421 2.800 40 0 DFABHN COc1ccc(CN2CC[C@H](c3nc(C)cn3C)C2)c(F)c1 ZINC000257234387 427315930 /nfs/dbraw/zinc/31/59/30/427315930.db2.gz GTHRCFLBYGRPGT-AWEZNQCLSA-N 0 3 303.381 2.866 40 0 DFABHN c1cc([C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n[nH]1 ZINC000257227754 427316298 /nfs/dbraw/zinc/31/62/98/427316298.db2.gz FQSSEGKQPSYMOK-INIZCTEOSA-N 0 3 305.385 2.856 40 0 DFABHN O[C@@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2 ZINC000257222500 427317736 /nfs/dbraw/zinc/31/77/36/427317736.db2.gz DTNFAMRWEJDYJG-GOSISDBHSA-N 0 3 312.413 2.741 40 0 DFABHN COCCN1CCC[C@H](c2nccnc2-c2scnc2C)C1 ZINC000257245348 427319834 /nfs/dbraw/zinc/31/98/34/427319834.db2.gz IPBYOLQLRKEBCE-ZDUSSCGKSA-N 0 3 318.446 2.734 40 0 DFABHN Cc1cccnc1CN1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1 ZINC000257251068 427324033 /nfs/dbraw/zinc/32/40/33/427324033.db2.gz JPGSKIJYXJUFEG-ARFHVFGLSA-N 0 3 309.417 2.503 40 0 DFABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cnn3c2nc(C)cc3C)C1 ZINC000257248138 427324175 /nfs/dbraw/zinc/32/41/75/427324175.db2.gz JCGINDZFLJVNDW-OAHLLOKOSA-N 0 3 324.432 2.757 40 0 DFABHN CN(C)c1cc([C@H]2CCCN(Cc3cncs3)C2)ccn1 ZINC000257284456 427331002 /nfs/dbraw/zinc/33/10/02/427331002.db2.gz PCTXBCQVIGYNMP-AWEZNQCLSA-N 0 3 302.447 2.984 40 0 DFABHN CN(Cc1ccc(OCCCO)cc1)C[C@H](O)c1ccccc1 ZINC000257281469 427331099 /nfs/dbraw/zinc/33/10/99/427331099.db2.gz OPIPNCDEFQOGEU-IBGZPJMESA-N 0 3 315.413 2.613 40 0 DFABHN CN(C)CCOc1cc(CN[C@H]2CCCc3occc32)ccn1 ZINC000193059133 427658407 /nfs/dbraw/zinc/65/84/07/427658407.db2.gz QVIXMBRBCHEIJC-INIZCTEOSA-N 0 3 315.417 2.782 40 0 DFABHN COc1ccc2c(c1)C1(C[C@H]2OC)CCN([C@@H]2CCOC2)CC1 ZINC000096241865 274121945 /nfs/dbraw/zinc/12/19/45/274121945.db2.gz XLYGZWGTECXOLM-RDTXWAMCSA-N 0 3 317.429 2.909 40 0 DFABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccccc1)COC3 ZINC000096112620 274144017 /nfs/dbraw/zinc/14/40/17/274144017.db2.gz CQOPESJHCJHOIC-HNNXBMFYSA-N 0 3 323.396 2.906 40 0 biogenic,in-vitro DFABHN NCc1cccc(I)c1Br ZINC000169797846 295279172 /nfs/dbraw/zinc/27/91/72/295279172.db2.gz SFNGIIOXHMNDSC-UHFFFAOYSA-N 0 3 311.948 2.512 40 0 DFABHN C[C@H](N1CCN(C)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000019365813 299007590 /nfs/dbraw/zinc/00/75/90/299007590.db2.gz CZVLBNHFOMBLQS-KRWDZBQOSA-N 0 3 310.441 2.558 40 0 DFABHN CC(C)/C=C\[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000017250255 331573869 /nfs/dbraw/zinc/57/38/69/331573869.db2.gz PZSSHNWVJGSMGY-OSKOBQJQSA-N 0 3 321.461 2.757 40 0 DFABHN NCc1cc2ccc(I)cc2nc1Cl ZINC000685937391 546411260 /nfs/dbraw/zinc/41/12/60/546411260.db2.gz SKSZCMHRBWPYOJ-UHFFFAOYSA-N 0 3 318.545 2.952 40 0 DFABHN NCc1cc2c(I)cccc2nc1Cl ZINC000685937143 546411573 /nfs/dbraw/zinc/41/15/73/546411573.db2.gz JTGDBTFGDVGKFQ-UHFFFAOYSA-N 0 3 318.545 2.952 40 0 DFABHN N[C@@H]1CCOc2cc(Br)cc(Br)c21 ZINC000076914479 185055463 /nfs/dbraw/zinc/05/54/63/185055463.db2.gz CAOLVCMMOQJLSX-SSDOTTSWSA-N 0 3 306.985 2.994 40 0 DFABHN CCOc1ccc([C@@H](N)c2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000095534591 185379517 /nfs/dbraw/zinc/37/95/17/185379517.db2.gz IMCSPXZSPWSIMS-CQSZACIVSA-N 0 3 318.421 2.948 40 0 DFABHN CCOc1ccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OCC ZINC000095534591 185379518 /nfs/dbraw/zinc/37/95/18/185379518.db2.gz IMCSPXZSPWSIMS-CQSZACIVSA-N 0 3 318.421 2.948 40 0 DFABHN C[C@@H](CNC(=O)N(C)Cc1ccco1)N(C)Cc1ccccc1 ZINC000078925981 185129633 /nfs/dbraw/zinc/12/96/33/185129633.db2.gz FNMPEFSKTIAELG-HNNXBMFYSA-N 0 3 315.417 2.942 40 0 DFABHN C[C@@H](OCC1CC1)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041127 185148194 /nfs/dbraw/zinc/14/81/94/185148194.db2.gz JYAMWCUTMFUQDQ-CYBMUJFWSA-N 0 3 303.406 2.826 40 0 DFABHN CC(=O)N1CC[C@H](NCc2ccccn2)[C@H](Cc2ccccc2)C1 ZINC000585269569 398437340 /nfs/dbraw/zinc/43/73/40/398437340.db2.gz ZNRJIVXQTNVCNA-QUCCMNQESA-N 0 3 323.440 2.651 40 0 DFABHN CCn1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)cn1 ZINC000080341986 192150247 /nfs/dbraw/zinc/15/02/47/192150247.db2.gz WMVCQPNSEJCPKB-HNNXBMFYSA-N 0 3 304.825 2.925 40 0 DFABHN COc1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000083877689 192389494 /nfs/dbraw/zinc/38/94/94/192389494.db2.gz HYHNNONZLKIUJI-CZUORRHYSA-N 0 3 303.406 2.643 40 0 DFABHN Cc1c(Br)ccc(NC(=O)NCCN(C)C)c1F ZINC000194223030 186270431 /nfs/dbraw/zinc/27/04/31/186270431.db2.gz APBYWLMGBBIYGY-UHFFFAOYSA-N 0 3 318.190 2.580 40 0 DFABHN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CC2)n1 ZINC000096055334 398659464 /nfs/dbraw/zinc/65/94/64/398659464.db2.gz XGSFCOYDGXLJAJ-SQWLQELKSA-N 0 3 308.447 2.549 40 0 DFABHN NCC(=O)N1CCC(c2cccc(Oc3ccccc3)n2)CC1 ZINC000072384458 191143996 /nfs/dbraw/zinc/14/39/96/191143996.db2.gz LOONMHNMMFPLND-UHFFFAOYSA-N 0 3 311.385 2.539 40 0 DFABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(Cl)cc2)on1 ZINC000072395118 191149273 /nfs/dbraw/zinc/14/92/73/191149273.db2.gz ACEOESZYTKUUDC-CZUORRHYSA-N 0 3 306.793 2.984 40 0 DFABHN O=C1NCCCC12CCN(Cc1ccc3ncccc3c1)CC2 ZINC000072393745 191149738 /nfs/dbraw/zinc/14/97/38/191149738.db2.gz HBZKTDKYYYGUOG-UHFFFAOYSA-N 0 3 309.413 2.727 40 0 DFABHN CN1CCC(C(=O)NCCSCc2ccccc2F)CC1 ZINC000174436846 198335130 /nfs/dbraw/zinc/33/51/30/198335130.db2.gz ZBTSXZRJHRXYGW-UHFFFAOYSA-N 0 3 310.438 2.517 40 0 DFABHN NC(=O)[C@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000113543588 398739720 /nfs/dbraw/zinc/73/97/20/398739720.db2.gz JESCETIFNOFKEU-IAGOWNOFSA-N 0 3 314.360 2.683 40 0 DFABHN C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc(F)cc1F ZINC000078757751 191925521 /nfs/dbraw/zinc/92/55/21/191925521.db2.gz CMEVCXDRLGKBNY-WCQYABFASA-N 0 3 311.376 2.761 40 0 DFABHN COC1CCN(CCNC(=O)c2cccc3ccccc32)CC1 ZINC000079669423 191961296 /nfs/dbraw/zinc/96/12/96/191961296.db2.gz DMXRYNNPEJZELY-UHFFFAOYSA-N 0 3 312.413 2.680 40 0 DFABHN NC(=O)C1(CNC(c2ccccc2)c2ccccc2)CCOCC1 ZINC000195553472 201407926 /nfs/dbraw/zinc/40/79/26/201407926.db2.gz IZGLQZRWVDTTLB-UHFFFAOYSA-N 0 3 324.424 2.648 40 0 DFABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000257276908 203005727 /nfs/dbraw/zinc/00/57/27/203005727.db2.gz NVQLMNVRKDALCK-QGZVFWFLSA-N 0 3 324.428 2.558 40 0 DFABHN CCCCc1ncc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)[nH]1 ZINC000257272681 203002513 /nfs/dbraw/zinc/00/25/13/203002513.db2.gz NDKIAVRHSYLOPX-RDJZCZTQSA-N 0 3 307.438 2.522 40 0 DFABHN Cc1cc(N2CC3(CCCCC3)OC2=O)nc([C@@H]2CCCN2)n1 ZINC000257295012 203020859 /nfs/dbraw/zinc/02/08/59/203020859.db2.gz QWPHVVXOFSMQNY-ZDUSSCGKSA-N 0 3 316.405 2.869 40 0 DFABHN COCCN1CCC[C@@H](c2cccc(-c3cnc(C)n3C)n2)C1 ZINC000257301629 203025372 /nfs/dbraw/zinc/02/53/72/203025372.db2.gz RZEKXGQRFGRHPQ-OAHLLOKOSA-N 0 3 314.433 2.616 40 0 DFABHN Cc1nc[nH]c1CN1CCNC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000257308295 203031295 /nfs/dbraw/zinc/03/12/95/203031295.db2.gz TWFLELMGZSBRTP-GOSISDBHSA-N 0 3 314.433 2.652 40 0 DFABHN CCCCc1ncc(CN2CC[C@@H]3[C@@H](C2)CCCC(=O)N3C)[nH]1 ZINC000257283164 203010111 /nfs/dbraw/zinc/01/01/11/203010111.db2.gz OWZRFZFACQAKIL-GDBMZVCRSA-N 0 3 318.465 2.585 40 0 DFABHN Cc1cc(N2C(=O)OC[C@H]2C)nc(C2CCN(C(C)C)CC2)n1 ZINC000257323426 203047165 /nfs/dbraw/zinc/04/71/65/203047165.db2.gz WKCMGJAPTUDSHY-CYBMUJFWSA-N 0 3 318.421 2.718 40 0 DFABHN CCn1cc(CN2CC[C@H](c3cc(NC)cc(C)n3)C2)c(C)n1 ZINC000257336650 203058501 /nfs/dbraw/zinc/05/85/01/203058501.db2.gz YPJPCZIKSDEOJZ-HNNXBMFYSA-N 0 3 313.449 2.946 40 0 DFABHN Cc1cc(F)cc(C(=O)N(CCN(C)C)Cc2ccncc2)c1 ZINC000080090036 399116280 /nfs/dbraw/zinc/11/62/80/399116280.db2.gz AWHUEQXPIJOLAQ-UHFFFAOYSA-N 0 3 315.392 2.733 40 0 DFABHN c1cc(CN2CCC3(CCN3c3ncccn3)CC2)cs1 ZINC000096077996 193527594 /nfs/dbraw/zinc/52/75/94/193527594.db2.gz KDKPCZCKWHVUFU-UHFFFAOYSA-N 0 3 300.431 2.783 40 0 DFABHN Cc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000019117947 182105249 /nfs/dbraw/zinc/10/52/49/182105249.db2.gz UQHYKKJGXHTTLS-AWEZNQCLSA-N 0 3 301.365 2.597 40 0 DFABHN Cc1ccc(C2(CN3CCN(C[C@@H]4CCOC4)CC3)CC2)cc1 ZINC000019208405 182107559 /nfs/dbraw/zinc/10/75/59/182107559.db2.gz BGAVAXFUUXJVIM-SFHVURJKSA-N 0 3 314.473 2.681 40 0 DFABHN O=C1CC[C@@H](NCc2ccoc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019406241 182122061 /nfs/dbraw/zinc/12/20/61/182122061.db2.gz ICTMEADOZQWXPO-ZBFHGGJFSA-N 0 3 306.312 2.667 40 0 DFABHN CCn1cc(CN(CCN(C)C)Cc2cccs2)c(C)n1 ZINC000019524501 182128328 /nfs/dbraw/zinc/12/83/28/182128328.db2.gz LLYJHDLFCGYXRM-UHFFFAOYSA-N 0 3 306.479 2.837 40 0 DFABHN CCN1CCN(Cc2c3cccnc3[nH]c2-c2ccco2)CC1 ZINC000019528213 182128701 /nfs/dbraw/zinc/12/87/01/182128701.db2.gz NSLJWCNOTWYOKY-UHFFFAOYSA-N 0 3 310.401 2.960 40 0 DFABHN CC(C)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 ZINC000072225620 257123340 /nfs/dbraw/zinc/12/33/40/257123340.db2.gz OMUKJWDRROLVLC-LJQANCHMSA-N 0 3 310.445 2.660 40 0 DFABHN CN(C)CC(CN(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000001576481 425583667 /nfs/dbraw/zinc/58/36/67/425583667.db2.gz GXXFCPFWPBKLFG-UHFFFAOYSA-N 0 3 303.233 2.916 40 0 DFABHN CCOC(=O)c1ccc(-c2ccc(CN[C@@H](CC)CO)o2)cc1 ZINC000007519845 425645595 /nfs/dbraw/zinc/64/55/95/425645595.db2.gz HBDSSMJRQYQTCB-HNNXBMFYSA-N 0 3 317.385 2.984 40 0 DFABHN OCCNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012588534 425732743 /nfs/dbraw/zinc/73/27/43/425732743.db2.gz PICXXZLGXBNHNI-UHFFFAOYSA-N 0 3 311.360 2.760 40 0 DFABHN O=C(C[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCCC1 ZINC000107745909 426002464 /nfs/dbraw/zinc/00/24/64/426002464.db2.gz YIPXDIUOSYRSAU-BJWYYQGGSA-N 0 3 302.393 2.516 40 0 DFABHN c1ccc(CN2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107787684 426003817 /nfs/dbraw/zinc/00/38/17/426003817.db2.gz JOQCVIZHLOVKKU-MJGOQNOKSA-N 0 3 324.428 2.712 40 0 DFABHN c1cnc(NC2CC3(C2)CCN(Cc2ccncc2)CC3)nc1 ZINC000108526273 426017641 /nfs/dbraw/zinc/01/76/41/426017641.db2.gz IMSNAVBRDKOSDX-UHFFFAOYSA-N 0 3 309.417 2.728 40 0 DFABHN CC[C@H]1CN(CCCS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000084736441 426244351 /nfs/dbraw/zinc/24/43/51/426244351.db2.gz MZCMPDBRUZDJRQ-RDJZCZTQSA-N 0 3 309.475 2.937 40 0 DFABHN C[C@H]1CN(CCCCNC(=O)CC2=CCCCC2)C[C@H](C)O1 ZINC000085457736 426252057 /nfs/dbraw/zinc/25/20/57/426252057.db2.gz QDWDTWURSBRCJV-HOTGVXAUSA-N 0 3 308.466 2.883 40 0 DFABHN COCCN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000085467944 426252382 /nfs/dbraw/zinc/25/23/82/426252382.db2.gz DZZIHJQBBJJJDY-UHFFFAOYSA-N 0 3 312.413 2.680 40 0 DFABHN O=C(C[C@@H]1CCCCO1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000087173754 426266705 /nfs/dbraw/zinc/26/67/05/426266705.db2.gz FXJGTPXAUKQLKC-SJORKVTESA-N 0 3 314.429 2.957 40 0 DFABHN Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3cccs3)C2)o1 ZINC000096064958 426394027 /nfs/dbraw/zinc/39/40/27/426394027.db2.gz FSEPMHOHFIUJJJ-MRVWCRGKSA-N 0 3 305.403 2.587 40 0 DFABHN CN1C(=O)C2(CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1 ZINC000096100251 426397585 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Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072359964 191130946 /nfs/dbraw/zinc/13/09/46/191130946.db2.gz HLIMPMFKVTYWKK-AWEZNQCLSA-N 0 3 312.421 2.906 40 0 DFABHN O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1Cc1ccncc1 ZINC000096205724 398659582 /nfs/dbraw/zinc/65/95/82/398659582.db2.gz RDOUKYTXJASLGC-CVEARBPZSA-N 0 3 313.426 2.519 40 0 DFABHN CCN1CCN(Cc2c3cccnc3[nH]c2C(C)(C)C)CC1 ZINC000072393631 191149395 /nfs/dbraw/zinc/14/93/95/191149395.db2.gz ZXYVNDONWNVCIC-UHFFFAOYSA-N 0 3 300.450 2.998 40 0 DFABHN COc1ccc(CN2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1 ZINC000072393825 191149716 /nfs/dbraw/zinc/14/97/16/191149716.db2.gz DJVMBFUUQGVVQW-CQSZACIVSA-N 0 3 323.400 2.741 40 0 DFABHN CN(C(=O)c1cncc([C@H]2CCCN(C)C2)n1)C1CCCCC1 ZINC000072387123 191145521 /nfs/dbraw/zinc/14/55/21/191145521.db2.gz XGVGHIUKYKLUAS-AWEZNQCLSA-N 0 3 316.449 2.691 40 0 DFABHN FC(F)COc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccn1 ZINC000194133126 201184615 /nfs/dbraw/zinc/18/46/15/201184615.db2.gz GHCYFNAAOHLWSE-DAXOMENPSA-N 0 3 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BOACTYOVIOPOGH-MRXNPFEDSA-N 0 3 324.384 2.927 40 0 DFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OC ZINC000095533859 257137357 /nfs/dbraw/zinc/13/73/57/257137357.db2.gz CBCQOZDWBBUXQT-INIZCTEOSA-N 0 3 324.384 2.845 40 0 DFABHN O=C(c1cccnc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408608053 257229166 /nfs/dbraw/zinc/22/91/66/257229166.db2.gz MKBFLNQPHDGZNS-IBGZPJMESA-N 0 3 321.424 2.745 40 0 DFABHN Cc1cc(Br)cc2c(N3CCNCC3)ccnc12 ZINC000068136473 425916237 /nfs/dbraw/zinc/91/62/37/425916237.db2.gz ZJTZFFUESRZWGP-UHFFFAOYSA-N 0 3 306.207 2.715 40 0 DFABHN CCc1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@@H](C)C3 ZINC000004910560 425620202 /nfs/dbraw/zinc/62/02/02/425620202.db2.gz MLXJNPKWDSFKKF-LLVKDONJSA-N 0 3 316.474 2.788 40 0 DFABHN CN1CCC[C@H](OC(=O)[C@@H](c2ccccc2)C2(O)CCCC2)C1 ZINC000005119318 425623235 /nfs/dbraw/zinc/62/32/35/425623235.db2.gz FBTZRJBLUHAQKJ-DLBZAZTESA-N 0 3 317.429 2.713 40 0 DFABHN CN(CCN1CCCCC1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000012361005 425724146 /nfs/dbraw/zinc/72/41/46/425724146.db2.gz TVEAWFSKUJUWSQ-UHFFFAOYSA-N 0 3 304.409 2.802 40 0 DFABHN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000113954833 426123396 /nfs/dbraw/zinc/12/33/96/426123396.db2.gz ZRTQCLPFYKMEJO-OAHLLOKOSA-N 0 3 304.434 2.590 40 0 DFABHN CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(C)CC1 ZINC000113950695 426123412 /nfs/dbraw/zinc/12/34/12/426123412.db2.gz HNDUOULNUBMRAU-AWEZNQCLSA-N 0 3 310.825 2.708 40 0 DFABHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)COCC1CC1 ZINC000078804906 426186577 /nfs/dbraw/zinc/18/65/77/426186577.db2.gz NDYGYTZHRUEFPX-AEFFLSMTSA-N 0 3 314.429 2.556 40 0 DFABHN CCc1nc(CNC[C@@H]2CCO[C@H]2c2cnn(CC)c2)cs1 ZINC000083830338 426231250 /nfs/dbraw/zinc/23/12/50/426231250.db2.gz LZXBLZMYHVVPJP-BLLLJJGKSA-N 0 3 320.462 2.789 40 0 DFABHN CCC(CC)c1cc(CNC(=O)N2CCC[C@H](N(C)C)C2)on1 ZINC000084727738 426244469 /nfs/dbraw/zinc/24/44/69/426244469.db2.gz FUEFCJZJMKVDOV-AWEZNQCLSA-N 0 3 322.453 2.814 40 0 DFABHN CCN1CCN([C@@H](C)CNc2ccc3ccc(F)cc3n2)CC1 ZINC000084789275 426245086 /nfs/dbraw/zinc/24/50/86/426245086.db2.gz JWKMCSDMRGWBSL-AWEZNQCLSA-N 0 3 316.424 2.812 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@H]12 ZINC000096058422 426395442 /nfs/dbraw/zinc/39/54/42/426395442.db2.gz HFHZFOCWFVKYHD-VQTJNVASSA-N 0 3 307.441 2.929 40 0 DFABHN COC[C@@H]1COCCC12CCN(Cc1ccccc1OC)CC2 ZINC000096106324 426397847 /nfs/dbraw/zinc/39/78/47/426397847.db2.gz IJFQYXPGECJKMP-QGZVFWFLSA-N 0 3 319.445 2.960 40 0 DFABHN c1ccc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096158043 426402161 /nfs/dbraw/zinc/40/21/61/426402161.db2.gz GRPIMYQFUTXKRC-HXUWFJFHSA-N 0 3 322.456 2.965 40 0 DFABHN CN(Cc1cccnc1)C1CC2(C1)CCN(c1ncccn1)CC2 ZINC000096159247 426403749 /nfs/dbraw/zinc/40/37/49/426403749.db2.gz NLCKMSYIURHAHR-UHFFFAOYSA-N 0 3 323.444 2.753 40 0 DFABHN O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1Cc1cccnc1 ZINC000096183978 426405035 /nfs/dbraw/zinc/40/50/35/426405035.db2.gz LBXZWVWVLKHLRZ-CVEARBPZSA-N 0 3 313.426 2.519 40 0 DFABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)o1 ZINC000096047152 426390232 /nfs/dbraw/zinc/39/02/32/426390232.db2.gz QZLKWPQLAFQNOT-SFHVURJKSA-N 0 3 312.417 2.871 40 0 DFABHN c1coc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096047883 426390268 /nfs/dbraw/zinc/39/02/68/426390268.db2.gz XTJSZLRCDGHMSV-KRWDZBQOSA-N 0 3 314.385 2.877 40 0 DFABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4ccoc4)C3)C2)nc1 ZINC000096047175 426391489 /nfs/dbraw/zinc/39/14/89/426391489.db2.gz CWWBLIRHEJZCPW-QGZVFWFLSA-N 0 3 316.380 2.701 40 0 DFABHN Cc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)o1 ZINC000096048915 426393756 /nfs/dbraw/zinc/39/37/56/426393756.db2.gz ZUMOMVWJKKPMRX-UHFFFAOYSA-N 0 3 304.434 2.665 40 0 DFABHN O=C1N(c2cccnc2)CC12CCN(Cc1ccsc1)CC2 ZINC000096202948 426407552 /nfs/dbraw/zinc/40/75/52/426407552.db2.gz MSWRCVQGXGRACV-UHFFFAOYSA-N 0 3 313.426 2.772 40 0 DFABHN c1ncn2c1CN(CC1CCC1)C[C@H](COCC1CCC1)C2 ZINC000096209751 426408543 /nfs/dbraw/zinc/40/85/43/426408543.db2.gz JFDVVYYQMXNZJY-KRWDZBQOSA-N 0 3 303.450 2.932 40 0 DFABHN Cc1cccc(CN2CC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096218950 426409075 /nfs/dbraw/zinc/40/90/75/426409075.db2.gz UJIULTFOMYEFJM-OALUTQOASA-N 0 3 324.428 2.631 40 0 DFABHN CCC(=O)N1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC000096221037 426409285 /nfs/dbraw/zinc/40/92/85/426409285.db2.gz ZJIBCZHPYJJXRU-QGZVFWFLSA-N 0 3 316.445 2.679 40 0 DFABHN Cc1nc(CN2CCC3(CC2)COCCN3CC2CC2)cs1 ZINC000096226209 426409754 /nfs/dbraw/zinc/40/97/54/426409754.db2.gz JIBPWFFAXBNKLR-UHFFFAOYSA-N 0 3 321.490 2.528 40 0 DFABHN O=C1N(c2cccnc2)CC[C@@]12CCCN(Cc1ccoc1)C2 ZINC000096224513 426409866 /nfs/dbraw/zinc/40/98/66/426409866.db2.gz ZAVHULOHDMRTHV-GOSISDBHSA-N 0 3 311.385 2.694 40 0 DFABHN CC(C)CN1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000096244865 426411205 /nfs/dbraw/zinc/41/12/05/426411205.db2.gz OXPPVJLNVOEJFX-HOCLYGCPSA-N 0 3 306.837 2.681 40 0 DFABHN CCCN1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000100752978 426483079 /nfs/dbraw/zinc/48/30/79/426483079.db2.gz WSQCBPNIOUAQDO-UHFFFAOYSA-N 0 3 312.373 2.771 40 0 DFABHN CS[C@@H](CO)[C@H](C)NCc1sccc1Br ZINC000195564538 426539417 /nfs/dbraw/zinc/53/94/17/426539417.db2.gz CQAMGOOGYZYQDR-XVKPBYJWSA-N 0 3 310.282 2.713 40 0 DFABHN CC[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000195543160 426539963 /nfs/dbraw/zinc/53/99/63/426539963.db2.gz PVDHNIGGTGRMNV-LSDHHAIUSA-N 0 3 310.825 2.676 40 0 DFABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1n[nH]c3ccccc31)C2 ZINC000257211885 427312875 /nfs/dbraw/zinc/31/28/75/427312875.db2.gz CAXYAEJEFQIYJJ-XJTZBENFSA-N 0 3 324.428 2.650 40 0 DFABHN Cn1cc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1 ZINC000257241521 427321952 /nfs/dbraw/zinc/32/19/52/427321952.db2.gz HYHWUCBIXUGGHP-CQSZACIVSA-N 0 3 309.417 2.751 40 0 DFABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1ccccc1)C2 ZINC000257242072 427322370 /nfs/dbraw/zinc/32/23/70/427322370.db2.gz IAZKAFGOXADMOK-RMRDIRSESA-N 0 3 314.429 2.539 40 0 DFABHN CN1CCC2(CC1)c1cc(F)ccc1N(c1cccnc1)C2=O ZINC000105050128 273872425 /nfs/dbraw/zinc/87/24/25/273872425.db2.gz ALPQKDBWYCOBJP-UHFFFAOYSA-N 0 3 311.360 2.862 40 0 DFABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 ZINC000096112673 274139841 /nfs/dbraw/zinc/13/98/41/274139841.db2.gz NUBNPPSVSBKIKW-HNNXBMFYSA-N 0 3 323.396 2.906 40 0 biogenic,in-vitro DFABHN CCOC[C@H]1COCCC12CCN(Cc1c(C)noc1C)CC2 ZINC000096106395 276334446 /nfs/dbraw/zinc/33/44/46/276334446.db2.gz SCDXAJYNSPTJLK-INIZCTEOSA-N 0 3 322.449 2.947 40 0 DFABHN CC[C@@H](C)N1C[C@@]2(CCCN(Cc3cnc(C)s3)C2)C1=O ZINC000585099515 430478899 /nfs/dbraw/zinc/47/88/99/430478899.db2.gz PKQXHZJIFBAULM-WBMJQRKESA-N 0 3 307.463 2.674 40 0 DFABHN CSc1nc(=NN)c2c3c(sc2[nH]1)CN(C(C)(C)C)CC3 ZINC000036618859 278180606 /nfs/dbraw/zinc/18/06/06/278180606.db2.gz CGDDFGQANGLKCY-UHFFFAOYSA-N 0 3 323.491 2.855 40 0 DFABHN C[C@H]1CCCCN1CC(C)(C)NC(=O)c1cc(C2CC2)on1 ZINC000019496358 290382622 /nfs/dbraw/zinc/38/26/22/290382622.db2.gz JELKAOQXKULTAE-LBPRGKRZSA-N 0 3 305.422 2.935 40 0 DFABHN COc1ccc([C@H](O)[C@@H]2NC(=N)S[C@@H]2c2ccccc2)cc1 ZINC000253560519 341458100 /nfs/dbraw/zinc/45/81/00/341458100.db2.gz AXNGOUSWORRIRG-HRCADAONSA-N 0 3 314.410 2.900 40 0 DFABHN CCOc1ccc([C@H](N)c2nnc(C(C)(C)C)[nH]2)cc1OCC ZINC000095534590 185379484 /nfs/dbraw/zinc/37/94/84/185379484.db2.gz IMCSPXZSPWSIMS-AWEZNQCLSA-N 0 3 318.421 2.948 40 0 DFABHN CCOc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OCC ZINC000095534590 185379485 /nfs/dbraw/zinc/37/94/85/185379485.db2.gz IMCSPXZSPWSIMS-AWEZNQCLSA-N 0 3 318.421 2.948 40 0 DFABHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccnc1Cl ZINC000079044150 185148871 /nfs/dbraw/zinc/14/88/71/185148871.db2.gz OVRREQWULMRLMS-CQSZACIVSA-N 0 3 317.820 2.638 40 0 DFABHN CCCC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000079096389 185157788 /nfs/dbraw/zinc/15/77/88/185157788.db2.gz LXXOXZYEDXTHET-HNNXBMFYSA-N 0 3 304.434 2.803 40 0 DFABHN Cc1[nH]c2ccccc2c1C1=CCN(CCn2cncn2)CC1 ZINC000083202112 185218956 /nfs/dbraw/zinc/21/89/56/185218956.db2.gz AYVPSOCFTXENBG-UHFFFAOYSA-N 0 3 307.401 2.857 40 0 DFABHN CC[C@H](CN1CCCC1)NC(=O)Cc1cc(C)ccc1OC ZINC000012362915 190637436 /nfs/dbraw/zinc/63/74/36/190637436.db2.gz WZLOZPMERDWXAC-MRXNPFEDSA-N 0 3 304.434 2.537 40 0 DFABHN CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1csc(C2CC2)n1 ZINC000084736412 398407246 /nfs/dbraw/zinc/40/72/46/398407246.db2.gz NAGSSPVGADPGBU-IUODEOHRSA-N 0 3 307.463 2.757 40 0 DFABHN CC(C)N1C[C@@]2(CC1=O)COCCN([C@@H](C)c1ccccc1)C2 ZINC000585103420 398432619 /nfs/dbraw/zinc/43/26/19/398432619.db2.gz BVDYTKJZJQQVHZ-LPHOPBHVSA-N 0 3 316.445 2.707 40 0 DFABHN Cc1cc(C)c2[nH]c(=O)c(CN[C@H]3CCCC[C@@H]3O)cc2c1 ZINC000585291533 398439618 /nfs/dbraw/zinc/43/96/18/398439618.db2.gz ABQXPNFKLZQWHI-HOTGVXAUSA-N 0 3 300.402 2.950 40 0 DFABHN COc1cc(CN2CC[C@@H](NCc3ccco3)C2)cc(OC)c1 ZINC000083920097 192390139 /nfs/dbraw/zinc/39/01/39/192390139.db2.gz JXUFWFJEJVMFNB-OAHLLOKOSA-N 0 3 316.401 2.661 40 0 DFABHN C[C@H](c1cnccn1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072203842 191076265 /nfs/dbraw/zinc/07/62/65/191076265.db2.gz KMIPOVWNURJNBE-CYBMUJFWSA-N 0 3 320.437 2.869 40 0 DFABHN COCCN1CCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072354634 191129174 /nfs/dbraw/zinc/12/91/74/191129174.db2.gz CRNMOUNDNOGNAC-OAHLLOKOSA-N 0 3 316.380 2.648 40 0 DFABHN Cc1csc(C2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)n1 ZINC000072367311 191136352 /nfs/dbraw/zinc/13/63/52/191136352.db2.gz DATPYQITGDKNBK-MRXNPFEDSA-N 0 3 307.463 2.690 40 0 DFABHN Cc1csc(C2CCN(C(=O)[C@]3(C)CCCCN3)CC2)n1 ZINC000072367310 191137455 /nfs/dbraw/zinc/13/74/55/191137455.db2.gz DATPYQITGDKNBK-INIZCTEOSA-N 0 3 307.463 2.690 40 0 DFABHN c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CC2)n1 ZINC000096055336 398659804 /nfs/dbraw/zinc/65/98/04/398659804.db2.gz XGSFCOYDGXLJAJ-OFQRWUPVSA-N 0 3 308.447 2.549 40 0 DFABHN Cc1c(CN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cnn1C ZINC000072369829 191139307 /nfs/dbraw/zinc/13/93/07/191139307.db2.gz MXBBZBLWGBYZDC-HNNXBMFYSA-N 0 3 323.400 2.768 40 0 DFABHN Cc1nc(C(=O)NCc2ccccc2)cc([C@@H]2CCCN(C)C2)n1 ZINC000072382869 191142380 /nfs/dbraw/zinc/14/23/80/191142380.db2.gz VLUGILJOPQJAPK-MRXNPFEDSA-N 0 3 324.428 2.524 40 0 DFABHN COc1cccc(CN2CCC[C@@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393823 191148883 /nfs/dbraw/zinc/14/88/83/191148883.db2.gz PWMHUYJKVHLMCR-CQSZACIVSA-N 0 3 323.400 2.741 40 0 DFABHN Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(CC[NH3+])c2C)cc1 ZINC000001674790 180886369 /nfs/dbraw/zinc/88/63/69/180886369.db2.gz NKYJJBMRDQHMKI-UHFFFAOYSA-N 0 3 318.442 2.914 40 0 DFABHN COc1ccc(OC)c(NC(=O)CNC2CCCCCC2)c1 ZINC000004969245 181181538 /nfs/dbraw/zinc/18/15/38/181181538.db2.gz DLZOIOGTAJKHKI-UHFFFAOYSA-N 0 3 306.406 2.955 40 0 DFABHN C(Nc1nc(C2CC2)ns1)C1(N2CCCCC2)CCOCC1 ZINC000081001291 192211322 /nfs/dbraw/zinc/21/13/22/192211322.db2.gz PITDGOJUWDANLL-UHFFFAOYSA-N 0 3 322.478 2.863 40 0 DFABHN Cc1cccc([C@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)c1C ZINC000081323006 192250021 /nfs/dbraw/zinc/25/00/21/192250021.db2.gz TUADBKXNPMUSOJ-GOEBONIOSA-N 0 3 323.458 2.790 40 0 DFABHN N[C@H]1CC2(CCC2)S(=O)(=O)c2ccc(Br)cc21 ZINC000306145760 283620544 /nfs/dbraw/zinc/62/05/44/283620544.db2.gz PJWSXXGDRNJIMG-JTQLQIEISA-N 0 3 316.220 2.549 40 0 DFABHN Cc1cnc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)o1 ZINC000195263136 201370174 /nfs/dbraw/zinc/37/01/74/201370174.db2.gz SSAWQMXEIKDFIB-AWEZNQCLSA-N 0 3 320.462 2.702 40 0 DFABHN COc1ccc([C@@H](CO)N(C)C[C@@H](O)c2cccc(F)c2)cc1 ZINC000195530222 201398267 /nfs/dbraw/zinc/39/82/67/201398267.db2.gz JQMOQVIVTBVXAD-QZTJIDSGSA-N 0 3 319.376 2.533 40 0 DFABHN Cc1cccnc1NC(=O)[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000079014059 399008271 /nfs/dbraw/zinc/00/82/71/399008271.db2.gz SDANKROTULYTQA-CVEARBPZSA-N 0 3 317.433 2.610 40 0 DFABHN Cc1nccc([C@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)n1 ZINC000257298207 203022161 /nfs/dbraw/zinc/02/21/61/203022161.db2.gz RKQOYZRMEKJDSX-GOSISDBHSA-N 0 3 324.428 2.824 40 0 DFABHN Cc1nn(C)c(C)c1CN(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257300834 203025454 /nfs/dbraw/zinc/02/54/54/203025454.db2.gz RVWGTTGYQFKJNC-INIZCTEOSA-N 0 3 313.449 2.533 40 0 DFABHN COc1ccccc1[C@@H]1CN(c2ccncc2)CCN1C(C)=O ZINC000257313271 203035617 /nfs/dbraw/zinc/03/56/17/203035617.db2.gz URPODNFVDRCQOA-KRWDZBQOSA-N 0 3 311.385 2.500 40 0 DFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCC2CC2)c1 ZINC000257301997 203027028 /nfs/dbraw/zinc/02/70/28/203027028.db2.gz SAXQBPNIBBCNIK-UHFFFAOYSA-N 0 3 309.413 2.950 40 0 DFABHN COc1ccccc1[C@H]1CN(c2ccncc2)CCN1C(C)=O ZINC000257313272 203035820 /nfs/dbraw/zinc/03/58/20/203035820.db2.gz URPODNFVDRCQOA-QGZVFWFLSA-N 0 3 311.385 2.500 40 0 DFABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000257336690 203057031 /nfs/dbraw/zinc/05/70/31/203057031.db2.gz YPPGFGLSHUYBFH-OAHLLOKOSA-N 0 3 313.401 2.869 40 0 DFABHN Cc1cc(C)n2ncc(CN3CCC[C@H](Cc4cc[nH]n4)C3)c2n1 ZINC000257344595 203066922 /nfs/dbraw/zinc/06/69/22/203066922.db2.gz ZXYKVVCPIBNZQL-OAHLLOKOSA-N 0 3 324.432 2.524 40 0 DFABHN CC(C)C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 ZINC000019086178 182104783 /nfs/dbraw/zinc/10/47/83/182104783.db2.gz AKNXGMQAMJKQJY-UHFFFAOYSA-N 0 3 300.446 2.955 40 0 DFABHN Fc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019293895 182113807 /nfs/dbraw/zinc/11/38/07/182113807.db2.gz QRLPSYUQCRKAFM-KRWDZBQOSA-N 0 3 312.392 2.599 40 0 DFABHN c1coc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1 ZINC000019374029 182121158 /nfs/dbraw/zinc/12/11/58/182121158.db2.gz LZJKNAOTVYQEEO-UHFFFAOYSA-N 0 3 319.368 2.717 40 0 DFABHN O=c1cc([C@H]2CCCC[N@@H+]2CC2CC2)nc(-c2ccncc2)[n-]1 ZINC000019405827 182121480 /nfs/dbraw/zinc/12/14/80/182121480.db2.gz JBRRQUSJVVJKQH-MRXNPFEDSA-N 0 3 310.401 2.769 40 0 DFABHN O=c1cc([C@H]2CCCC[N@H+]2CC2CC2)nc(-c2ccncc2)[n-]1 ZINC000019405827 182121482 /nfs/dbraw/zinc/12/14/82/182121482.db2.gz JBRRQUSJVVJKQH-MRXNPFEDSA-N 0 3 310.401 2.769 40 0 DFABHN Cc1cc(C)n(CCCN(C)Cc2c(C)nc3ccccn32)n1 ZINC000019654480 182134645 /nfs/dbraw/zinc/13/46/45/182134645.db2.gz RPKJGQNJHQPRLL-UHFFFAOYSA-N 0 3 311.433 2.978 40 0 DFABHN Cc1cc(C)cc(OC[C@@H](C)NC(=O)CC2CCN(C)CC2)c1 ZINC000019748341 182142752 /nfs/dbraw/zinc/14/27/52/182142752.db2.gz ALYWCYXBPYQMAJ-MRXNPFEDSA-N 0 3 318.461 2.919 40 0 DFABHN CC[C@H](CN1CCCC1)NC(=O)C1(c2cccc(F)c2)CC1 ZINC000012239729 542419610 /nfs/dbraw/zinc/41/96/10/542419610.db2.gz QXLALDRJHZKAJZ-MRXNPFEDSA-N 0 3 304.409 2.848 40 0 DFABHN OCC1(NCc2cnc(C3CCCCC3)s2)CCOCC1 ZINC000084041257 542505433 /nfs/dbraw/zinc/50/54/33/542505433.db2.gz CSGDXAHWZHBVJA-UHFFFAOYSA-N 0 3 310.463 2.822 40 0 DFABHN COc1cc(C2(C(=O)NC[C@H](C)N3CCCC3)CC2)ccc1C ZINC000084187982 542506743 /nfs/dbraw/zinc/50/67/43/542506743.db2.gz YUTIHJIYCLHZEY-HNNXBMFYSA-N 0 3 316.445 2.636 40 0 DFABHN N[C@H](c1ccccc1)c1ccc(I)nc1 ZINC000072225939 257123084 /nfs/dbraw/zinc/12/30/84/257123084.db2.gz KAROVFOCIJEJFQ-GFCCVEGCSA-N 0 3 310.138 2.734 40 0 DFABHN COc1ccc(-c2nc([C@@H](N)c3cccc(OC)c3)n[nH]2)cc1 ZINC000095533515 257137123 /nfs/dbraw/zinc/13/71/23/257137123.db2.gz ZSEWBASXQHOFNK-HNNXBMFYSA-N 0 3 310.357 2.537 40 0 DFABHN O=C(NCCN1CCCCC1)c1ccc(N2CCCC2)cc1 ZINC000408676301 257228807 /nfs/dbraw/zinc/22/88/07/257228807.db2.gz HJCHZHJIPKKHGY-UHFFFAOYSA-N 0 3 301.434 2.503 40 0 DFABHN CCN1CCC[C@H]1CNC(=O)c1ccccc1Br ZINC000000848930 425573364 /nfs/dbraw/zinc/57/33/64/425573364.db2.gz WPYKUYRNLDWLHF-NSHDSACASA-N 0 3 311.223 2.663 40 0 DFABHN Cc1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@H](C)C3 ZINC000004848708 425620305 /nfs/dbraw/zinc/62/03/05/425620305.db2.gz SVALUENWPLKUMZ-JTQLQIEISA-N 0 3 302.447 2.534 40 0 DFABHN C[C@@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@@H]1O ZINC000012148138 425719405 /nfs/dbraw/zinc/71/94/05/425719405.db2.gz OSQMEDIKTBFXHM-QAPCUYQASA-N 0 3 312.413 2.863 40 0 DFABHN O=c1[nH]c2cc3c(cc2cc1CNCc1ccccc1)OCCO3 ZINC000013999166 425764001 /nfs/dbraw/zinc/76/40/01/425764001.db2.gz NQIRDEQHXKBKQQ-UHFFFAOYSA-N 0 3 322.364 2.589 40 0 DFABHN C[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991781 425764729 /nfs/dbraw/zinc/76/47/29/425764729.db2.gz ZOIQFLQAFIGPBS-CYBMUJFWSA-N 0 3 317.360 2.937 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000108350251 426013667 /nfs/dbraw/zinc/01/36/67/426013667.db2.gz CJAJZFIMGRQREW-NTZNESFSSA-N 0 3 318.339 2.694 40 0 DFABHN CNc1cc(Nc2nccc([C@@H]3CCCN3C(C)C)n2)ncn1 ZINC000072377457 426016224 /nfs/dbraw/zinc/01/62/24/426016224.db2.gz YYSJNHVPSKFBNE-ZDUSSCGKSA-N 0 3 313.409 2.597 40 0 DFABHN CC[C@@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000078772460 426186235 /nfs/dbraw/zinc/18/62/35/426186235.db2.gz YJLQRQWEMRDRRP-NVXWUHKLSA-N 0 3 303.450 2.941 40 0 DFABHN C[C@H](c1ccccc1F)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000084660629 426242606 /nfs/dbraw/zinc/24/26/06/426242606.db2.gz XIIUMJVFILEFTG-NEPJUHHUSA-N 0 3 316.380 2.588 40 0 DFABHN CCN1CCCC[C@H]1CNc1cc(-c2nc(C)no2)ccn1 ZINC000084789202 426245427 /nfs/dbraw/zinc/24/54/27/426245427.db2.gz YKLNHCOGVIKHCT-AWEZNQCLSA-N 0 3 301.394 2.726 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@H]12 ZINC000096058427 426395437 /nfs/dbraw/zinc/39/54/37/426395437.db2.gz IDOZTHVDEJBFEB-HKUYNNGSSA-N 0 3 310.397 2.768 40 0 DFABHN Cc1nc[nH]c1CN1CC[C@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076073 426396278 /nfs/dbraw/zinc/39/62/78/426396278.db2.gz VJPLYHIDRCNHHR-SFHVURJKSA-N 0 3 314.408 2.708 40 0 DFABHN Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2ccco2)cn1 ZINC000096069868 426396736 /nfs/dbraw/zinc/39/67/36/426396736.db2.gz AGXDPCMRLDCAFR-ZWKOTPCHSA-N 0 3 315.417 2.625 40 0 DFABHN CN1C(=O)C2(CCN(Cc3cccnc3)CC2)[C@H]1c1ccccc1 ZINC000096100252 426397956 /nfs/dbraw/zinc/39/79/56/426397956.db2.gz YXAMADNAAIGTLX-GOSISDBHSA-N 0 3 321.424 2.877 40 0 DFABHN Cc1cccc(CNC[C@H]2COCc3nc4ccccc4n32)n1 ZINC000096112710 426399473 /nfs/dbraw/zinc/39/94/73/426399473.db2.gz UNFNNZIGHFBZOZ-HNNXBMFYSA-N 0 3 308.385 2.601 40 0 biogenic,in-vitro DFABHN Cc1cccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)n1 ZINC000096158249 426401908 /nfs/dbraw/zinc/40/19/08/426401908.db2.gz BCXFYKGZJUONSW-LJQANCHMSA-N 0 3 323.444 2.673 40 0 DFABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccoc4)C3)C2)cn1 ZINC000096046975 426390484 /nfs/dbraw/zinc/39/04/84/426390484.db2.gz LBPJRXTWMYNCLZ-SFHVURJKSA-N 0 3 314.433 2.501 40 0 DFABHN Cc1occc1C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096046492 426390921 /nfs/dbraw/zinc/39/09/21/426390921.db2.gz SYHQPLBTOVRUGA-UHFFFAOYSA-N 0 3 316.426 2.998 40 0 DFABHN Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C)[n-]4)O[C@@H]3C2)s1 ZINC000096046201 426391109 /nfs/dbraw/zinc/39/11/09/426391109.db2.gz LBDCKPTYYXBDOW-NWANDNLSSA-N 0 3 318.446 2.835 40 0 DFABHN Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C)[n-]4)O[C@@H]3C2)s1 ZINC000096046201 426391111 /nfs/dbraw/zinc/39/11/11/426391111.db2.gz LBDCKPTYYXBDOW-NWANDNLSSA-N 0 3 318.446 2.835 40 0 DFABHN Cc1ccc(CN2CC[C@H]3C[C@H](c4nnc(C)[nH]4)O[C@@H]3C2)s1 ZINC000096046201 426391114 /nfs/dbraw/zinc/39/11/14/426391114.db2.gz LBDCKPTYYXBDOW-NWANDNLSSA-N 0 3 318.446 2.835 40 0 DFABHN CCN1CCOC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000096049593 426392564 /nfs/dbraw/zinc/39/25/64/426392564.db2.gz DNMPCECJMZWQMP-GOSISDBHSA-N 0 3 306.425 2.760 40 0 DFABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)s1 ZINC000096223392 426408856 /nfs/dbraw/zinc/40/88/56/426408856.db2.gz MQCPIEIVMHQYSZ-GOEBONIOSA-N 0 3 318.446 2.644 40 0 DFABHN c1ccc(N[C@@H]2COC3(C2)CCN(Cc2ccncc2)CC3)nc1 ZINC000096221300 426409466 /nfs/dbraw/zinc/40/94/66/426409466.db2.gz RYZHXCBYJDFURB-KRWDZBQOSA-N 0 3 324.428 2.712 40 0 DFABHN CCO[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000096413959 426417042 /nfs/dbraw/zinc/41/70/42/426417042.db2.gz XHCIKJMJOQMBAX-SOLBZPMBSA-N 0 3 318.461 2.923 40 0 DFABHN CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)CNCc1ccccn1)=CC2 ZINC000195541614 426537166 /nfs/dbraw/zinc/53/71/66/426537166.db2.gz VJMNNNJDUNTRJC-BPQIPLTHSA-N 0 3 316.445 2.541 40 0 DFABHN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCN(C)C ZINC000216147895 426558326 /nfs/dbraw/zinc/55/83/26/426558326.db2.gz GDXVJAUADVVVFU-QGZVFWFLSA-N 0 3 300.402 2.675 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000248085532 426981642 /nfs/dbraw/zinc/98/16/42/426981642.db2.gz BCYPBELOXVVJNR-MJGOQNOKSA-N 0 3 310.397 2.768 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@@H]12 ZINC000248132604 426981655 /nfs/dbraw/zinc/98/16/55/426981655.db2.gz NOKAQFBQZOHOFQ-WOJBJXKFSA-N 0 3 307.441 2.929 40 0 DFABHN Cc1nc(N[C@@H](C)CO)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329011400 427023677 /nfs/dbraw/zinc/02/36/77/427023677.db2.gz MDZVXQPKHYPWRG-STQMWFEESA-N 0 3 312.417 2.529 40 0 DFABHN CN(Cc1ccccc1)C(=O)c1ccccc1-n1cnc(CN)c1 ZINC000257215651 427312690 /nfs/dbraw/zinc/31/26/90/427312690.db2.gz CRAMPTOQRXSGRQ-UHFFFAOYSA-N 0 3 320.396 2.603 40 0 DFABHN Cc1nn(C)cc1CN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000257214226 427313033 /nfs/dbraw/zinc/31/30/33/427313033.db2.gz CLCXENQMUUHJDP-OAHLLOKOSA-N 0 3 323.400 2.768 40 0 DFABHN CCc1nc(C)c(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)[nH]1 ZINC000257250127 427324303 /nfs/dbraw/zinc/32/43/03/427324303.db2.gz JLDGGVBRPFOGNZ-YJBOKZPZSA-N 0 3 318.465 2.694 40 0 DFABHN CCN1CCOC[C@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 ZINC000257254179 427325785 /nfs/dbraw/zinc/32/57/85/427325785.db2.gz KCAWDDUWPMCWIG-MRXNPFEDSA-N 0 3 300.402 2.812 40 0 DFABHN Cc1cn(C)c([C@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257260561 427327609 /nfs/dbraw/zinc/32/76/09/427327609.db2.gz LDKAJZDUXFNJQF-KRWDZBQOSA-N 0 3 309.413 2.994 40 0 DFABHN Cc1ccccc1CN1CC2(C1)CO[C@@H](Cc1cncnc1)C2 ZINC000257261888 427329015 /nfs/dbraw/zinc/32/90/15/427329015.db2.gz LJFJAHACCSRUJI-SFHVURJKSA-N 0 3 309.413 2.619 40 0 DFABHN Cc1ccc(CN2CCC3(CCN(c4ncccn4)C3)CC2)o1 ZINC000096046595 274740666 /nfs/dbraw/zinc/74/06/66/274740666.db2.gz CTMURNHSAUMQKM-UHFFFAOYSA-N 0 3 312.417 2.871 40 0 DFABHN Cc1ccc2nc3n(c2c1)[C@@H](CNCc1cccnc1)COC3 ZINC000096112830 274785119 /nfs/dbraw/zinc/78/51/19/274785119.db2.gz MFLXFMKGOHKZJO-HNNXBMFYSA-N 0 3 308.385 2.601 40 0 biogenic,in-vitro DFABHN c1csc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)c1 ZINC000096058629 275075072 /nfs/dbraw/zinc/07/50/72/275075072.db2.gz IGUJMMMZMFMUAQ-CYBMUJFWSA-N 0 3 315.442 2.643 40 0 DFABHN CC[C@@H](C)N1C[C@]2(CCCN(Cc3sc(C)nc3C)C2)C1=O ZINC000585099339 430479586 /nfs/dbraw/zinc/47/95/86/430479586.db2.gz GJDAGIVCRQVCFU-SJKOYZFVSA-N 0 3 321.490 2.983 40 0 DFABHN Cc1nc(Cn2ccnc2[C@@H]2CNCc3ccccc32)cs1 ZINC000306133228 279087019 /nfs/dbraw/zinc/08/70/19/279087019.db2.gz MFXUJPBZBYFVJD-MRXNPFEDSA-N 0 3 310.426 2.931 40 0 DFABHN CCCn1nccc1-c1cc(C)nc(CC2CCN(C)CC2)n1 ZINC000257221781 500678686 /nfs/dbraw/zinc/67/86/86/500678686.db2.gz DQMFSRWUUDAKQX-UHFFFAOYSA-N 0 3 313.449 2.943 40 0 DFABHN CCC(CC)(CC(=O)OC)NCC(=O)N[C@H](C)c1ccccc1 ZINC000079068514 185152900 /nfs/dbraw/zinc/15/29/00/185152900.db2.gz ASWQHFVXYLOMFJ-CQSZACIVSA-N 0 3 320.433 2.575 40 0 DFABHN c1coc(CN2C[C@H]3Cc4nc(NCC5CC5)ncc4[C@H]3C2)c1 ZINC000306135949 231088245 /nfs/dbraw/zinc/08/82/45/231088245.db2.gz PFAQMQIIIRWRQL-CJNGLKHVSA-N 0 3 310.401 2.663 40 0 DFABHN Cc1ccc2cc(CN[C@@H](CO)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000585293010 398440276 /nfs/dbraw/zinc/44/02/76/398440276.db2.gz RDUIFCLBRLNXCR-GOSISDBHSA-N 0 3 322.408 2.942 40 0 DFABHN CCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225647228 186286572 /nfs/dbraw/zinc/28/65/72/186286572.db2.gz KTDFDYRTRBPCHN-UHFFFAOYSA-N 0 3 320.433 2.915 40 0 DFABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000072324799 191123373 /nfs/dbraw/zinc/12/33/73/191123373.db2.gz JGUNZNOVQQBWJF-RAIGVLPGSA-N 0 3 315.244 2.633 40 0 DFABHN CNCC(=O)N1CCC[C@@H]1c1cccc(Oc2ccccc2)n1 ZINC000072363319 191132327 /nfs/dbraw/zinc/13/23/27/191132327.db2.gz IELCDYGUFNJSNU-MRXNPFEDSA-N 0 3 311.385 2.757 40 0 DFABHN COCCN1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 ZINC000072363497 191133050 /nfs/dbraw/zinc/13/30/50/191133050.db2.gz WGWYOUQWMHXYAI-GFCCVEGCSA-N 0 3 319.434 2.503 40 0 DFABHN c1cn(-c2cncc([C@H]3CCCN3Cc3ccccc3)n2)cn1 ZINC000072378660 191140949 /nfs/dbraw/zinc/14/09/49/191140949.db2.gz ZEGLJCCEEDLBKU-QGZVFWFLSA-N 0 3 305.385 2.999 40 0 DFABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(C)c(C)c2)on1 ZINC000072395114 191149409 /nfs/dbraw/zinc/14/94/09/191149409.db2.gz BHEPQIZWCHAJHL-SJLPKXTDSA-N 0 3 300.402 2.947 40 0 DFABHN CCN(CC)c1ncc(CN[C@H](C)[C@H](C)n2cccn2)s1 ZINC000078789733 398987507 /nfs/dbraw/zinc/98/75/07/398987507.db2.gz HNEVRDWNQGYAAJ-OLZOCXBDSA-N 0 3 307.467 2.925 40 0 DFABHN CC[C@H](C(=O)Nc1ccn(Cc2ccccc2)n1)N(CC)CC ZINC000078822437 398992226 /nfs/dbraw/zinc/99/22/26/398992226.db2.gz SWHTTZGCKOCHRU-MRXNPFEDSA-N 0 3 314.433 2.990 40 0 DFABHN C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1cccc(O)c1 ZINC000194940217 201313883 /nfs/dbraw/zinc/31/38/83/201313883.db2.gz AAZCUKYARGEOOH-KGLIPLIRSA-N 0 3 323.396 2.841 40 0 DFABHN COc1cccc([C@@H](Cc2ccccc2)NCCO)c1OC ZINC000006485073 181345240 /nfs/dbraw/zinc/34/52/40/181345240.db2.gz XIFMCGRBGOQUPT-MRXNPFEDSA-N 0 3 301.386 2.570 40 0 DFABHN Cc1nc[nH]c1CN1CCNC[C@H]1c1ccc(OC(C)C)cc1 ZINC000257308296 203032729 /nfs/dbraw/zinc/03/27/29/203032729.db2.gz TWFLELMGZSBRTP-SFHVURJKSA-N 0 3 314.433 2.652 40 0 DFABHN O=C1CCC[C@]2(CN(Cc3cccnc3)C[C@H]2c2ccccc2)N1 ZINC000257316405 203040268 /nfs/dbraw/zinc/04/02/68/203040268.db2.gz VFLOEZNSOMBTGP-AZUAARDMSA-N 0 3 321.424 2.720 40 0 DFABHN CN(C)Cc1ccc(C(=O)N2CCC(c3cnccn3)CC2)cc1 ZINC000257318269 203042450 /nfs/dbraw/zinc/04/24/50/203042450.db2.gz VNENMPSITNWQTO-UHFFFAOYSA-N 0 3 324.428 2.558 40 0 DFABHN Cc1c2cc(F)ccc2[nH]c1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257321145 203045240 /nfs/dbraw/zinc/04/52/40/203045240.db2.gz WAFVIIVFRBBLLB-ROUUACIJSA-N 0 3 318.392 2.731 40 0 DFABHN Cc1ccsc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1c(=O)[n-]c(C)nc1C2 ZINC000019238607 182110897 /nfs/dbraw/zinc/11/08/97/182110897.db2.gz HJAMOHFRNHDMRM-QWHCGFSZSA-N 0 3 315.442 2.580 40 0 DFABHN Cc1ccsc1C[N@H+]1[C@@H]2CC[C@H]1Cc1c(=O)[n-]c(C)nc1C2 ZINC000019238607 182110900 /nfs/dbraw/zinc/11/09/00/182110900.db2.gz HJAMOHFRNHDMRM-QWHCGFSZSA-N 0 3 315.442 2.580 40 0 DFABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1ccccn1)C2 ZINC000019401510 182121759 /nfs/dbraw/zinc/12/17/59/182121759.db2.gz JBCQMBSZQJMCAO-JJTKIYQPSA-N 0 3 309.413 2.596 40 0 DFABHN Cc1nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)[nH]c(=O)c1C ZINC000019555384 182130526 /nfs/dbraw/zinc/13/05/26/182130526.db2.gz GEFBZMOMAYNJQH-OAHLLOKOSA-N 0 3 315.392 2.905 40 0 DFABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1Br ZINC000019796143 182151079 /nfs/dbraw/zinc/15/10/79/182151079.db2.gz LSNWFWHKHZIBJO-NSHDSACASA-N 0 3 315.211 2.974 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000022145771 182310812 /nfs/dbraw/zinc/31/08/12/182310812.db2.gz RIFUGEVYTBABST-GYSYKLTISA-N 0 3 302.340 2.814 40 0 DFABHN CN(C)CCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000044665517 183430327 /nfs/dbraw/zinc/43/03/27/183430327.db2.gz IEJJNDCMWVIZHS-UHFFFAOYSA-N 0 3 307.463 2.856 40 0 DFABHN O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccccc1 ZINC000012292054 542421186 /nfs/dbraw/zinc/42/11/86/542421186.db2.gz KEBAXYDEAUIXLY-GOSISDBHSA-N 0 3 315.388 2.843 40 0 DFABHN CCn1c(CNCCc2c(C)nn(C)c2C)nc2ccccc21 ZINC000083843344 542504418 /nfs/dbraw/zinc/50/44/18/542504418.db2.gz QDJRJEXZMGOENI-UHFFFAOYSA-N 0 3 311.433 2.739 40 0 DFABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223716 257123778 /nfs/dbraw/zinc/12/37/78/257123778.db2.gz QJYYGVHULMUGLE-FQEVSTJZSA-N 0 3 324.472 2.969 40 0 DFABHN O=C(c1cccnc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408608054 257229327 /nfs/dbraw/zinc/22/93/27/257229327.db2.gz MKBFLNQPHDGZNS-LJQANCHMSA-N 0 3 321.424 2.745 40 0 DFABHN CC[C@]1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000005051752 425624352 /nfs/dbraw/zinc/62/43/52/425624352.db2.gz GQOSAVMJKQCTCZ-GFCCVEGCSA-N 0 3 300.193 2.569 40 0 DFABHN C[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991782 425763665 /nfs/dbraw/zinc/76/36/65/425763665.db2.gz ZOIQFLQAFIGPBS-ZDUSSCGKSA-N 0 3 317.360 2.937 40 0 DFABHN Cc1ccccc1N1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000031947029 425836774 /nfs/dbraw/zinc/83/67/74/425836774.db2.gz GNSWLXANORETEF-IBGZPJMESA-N 0 3 310.441 2.721 40 0 DFABHN NC[C@@H](c1cccc(Cl)c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000035287527 425843886 /nfs/dbraw/zinc/84/38/86/425843886.db2.gz YCXYSXQNJZJTBA-LBPRGKRZSA-N 0 3 322.758 2.729 40 0 DFABHN CCN1CC2(CCC1=O)CCN(Cc1cccc(C)n1)CC2 ZINC000108524334 426017779 /nfs/dbraw/zinc/01/77/79/426017779.db2.gz POXPZRBJRMWXLG-UHFFFAOYSA-N 0 3 301.434 2.615 40 0 DFABHN Cc1cnn(CCNCc2csc(Br)c2)c1 ZINC000084265317 426235397 /nfs/dbraw/zinc/23/53/97/426235397.db2.gz DIJCRNCGFHLWFP-UHFFFAOYSA-N 0 3 300.225 2.805 40 0 DFABHN Fc1ccc2nc(CO[C@H]3CN(CC4CC4)C[C@H]3F)[nH]c2c1 ZINC000096112234 426398856 /nfs/dbraw/zinc/39/88/56/426398856.db2.gz SOIPNELJCUYZGI-DOMZBBRYSA-N 0 3 307.344 2.651 40 0 biogenic,in-vitro DFABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccsc2)N1Cc1cccnc1 ZINC000096183981 426405228 /nfs/dbraw/zinc/40/52/28/426405228.db2.gz RHIVUTHJRHIWMY-CVEARBPZSA-N 0 3 313.426 2.519 40 0 DFABHN COc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1OC ZINC000095533453 426374206 /nfs/dbraw/zinc/37/42/06/426374206.db2.gz ZXNDXRSAECYHIE-HNNXBMFYSA-N 0 3 310.357 2.537 40 0 DFABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)cn1 ZINC000096046972 426390262 /nfs/dbraw/zinc/39/02/62/426390262.db2.gz QXNPJKWVFSUOSX-GOSISDBHSA-N 0 3 314.433 2.501 40 0 DFABHN CCN1CCC2(CCN(Cc3ccc(OC)cc3)CC2)C1=O ZINC000096046742 426390707 /nfs/dbraw/zinc/39/07/07/426390707.db2.gz IOFMJBSFAPXATG-UHFFFAOYSA-N 0 3 302.418 2.530 40 0 DFABHN Cn1cc([C@@H]2COC3(C2)CCN(Cc2ccoc2)CC3)cn1 ZINC000096047789 426391410 /nfs/dbraw/zinc/39/14/10/426391410.db2.gz LDJNNGIFIDMFAW-HNNXBMFYSA-N 0 3 301.390 2.552 40 0 DFABHN c1cnc(N2CCC[C@]3(CCCN3Cc3cccnc3)C2)nc1 ZINC000096214899 426407854 /nfs/dbraw/zinc/40/78/54/426407854.db2.gz KBFZZBMOGMNLIJ-SFHVURJKSA-N 0 3 309.417 2.507 40 0 DFABHN Cc1ccc(CN2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)s1 ZINC000096223389 426410056 /nfs/dbraw/zinc/41/00/56/426410056.db2.gz MQCPIEIVMHQYSZ-HOCLYGCPSA-N 0 3 318.446 2.644 40 0 DFABHN Cc1nc2c(c(NC(C)C)n1)CCN(Cc1cccnc1)CC2 ZINC000096254628 426410587 /nfs/dbraw/zinc/41/05/87/426410587.db2.gz FXMOMAJWMXLPLG-UHFFFAOYSA-N 0 3 311.433 2.601 40 0 DFABHN COc1ccc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)cc1 ZINC000247880095 426964189 /nfs/dbraw/zinc/96/41/89/426964189.db2.gz IXHQRAKIVMRCTJ-APWZRJJASA-N 0 3 322.408 2.790 40 0 DFABHN COc1ccc(CN2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000257228673 427316665 /nfs/dbraw/zinc/31/66/65/427316665.db2.gz FUUUWXFPDRQWSQ-QGZVFWFLSA-N 0 3 312.413 2.781 40 0 DFABHN COCCN1CCC[C@@H](c2nccnc2-c2scnc2C)C1 ZINC000257245347 427320971 /nfs/dbraw/zinc/32/09/71/427320971.db2.gz IPBYOLQLRKEBCE-CYBMUJFWSA-N 0 3 318.446 2.734 40 0 DFABHN CNc1cc([C@@H]2CCCN2C(=O)c2[nH]nc3ccccc32)ccn1 ZINC000257253172 427325585 /nfs/dbraw/zinc/32/55/85/427325585.db2.gz JXVIDLMJKYLSFF-HNNXBMFYSA-N 0 3 321.384 2.977 40 0 DFABHN CCN1CCN(c2cccc(NCc3cscn3)c2)CC1 ZINC000191883839 427438779 /nfs/dbraw/zinc/43/87/79/427438779.db2.gz RLJNLIQTSWQLMK-UHFFFAOYSA-N 0 3 302.447 2.897 40 0 DFABHN COc1c([O-])ccc2cc3[n+](cc21)CCc1cc2c(cc1-3)OCO2 ZINC000013376481 274090092 /nfs/dbraw/zinc/09/00/92/274090092.db2.gz OEGWOBMNQDATKP-UHFFFAOYSA-O 0 3 322.340 2.793 40 0 biogenic,in-vitro DFABHN COC[C@@H]1CCn2cncc2CN1Cc1cccc2[nH]ccc21 ZINC000585096953 430478802 /nfs/dbraw/zinc/47/88/02/430478802.db2.gz FYACPFNCJGXJMF-HNNXBMFYSA-N 0 3 310.401 2.785 40 0 DFABHN CCC(=O)Nc1cccc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000078870258 185121022 /nfs/dbraw/zinc/12/10/22/185121022.db2.gz XIVCEMANHFOOHI-CJNGLKHVSA-N 0 3 317.433 2.590 40 0 DFABHN CCn1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)cn1 ZINC000079075673 185154706 /nfs/dbraw/zinc/15/47/06/185154706.db2.gz ZKMACJGVPUXZRP-UHFFFAOYSA-N 0 3 312.417 2.754 40 0 DFABHN Fc1ccc(CN2CCC(c3nnc4ncccn43)CC2)cc1 ZINC000306136425 231090402 /nfs/dbraw/zinc/09/04/02/231090402.db2.gz PSZYJPKQMAMELM-UHFFFAOYSA-N 0 3 311.364 2.643 40 0 DFABHN CN1CC[C@@H]2[C@H]1CCCCN2C(=O)c1nccc2ccccc21 ZINC000019712575 398408795 /nfs/dbraw/zinc/40/87/95/398408795.db2.gz BHFDJFDDXBFPKF-IAGOWNOFSA-N 0 3 309.413 2.934 40 0 DFABHN CO[C@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1F ZINC000585275185 398438591 /nfs/dbraw/zinc/43/85/91/398438591.db2.gz ZHLZCQRKQPBSJU-QAPCUYQASA-N 0 3 317.408 2.937 40 0 DFABHN Cc1cc(OC[C@@]2(O)COCCN(C3CCCC3)C2)ccc1F ZINC000585280906 398439554 /nfs/dbraw/zinc/43/95/54/398439554.db2.gz CADFFANSSSFXSK-SFHVURJKSA-N 0 3 323.408 2.519 40 0 DFABHN C(O[C@H]1CSC2(CN(C3CCCC3)C2)C1)C1CCOCC1 ZINC000585105299 398433169 /nfs/dbraw/zinc/43/31/69/398433169.db2.gz SNSWBGVHTGZJDK-MRXNPFEDSA-N 0 3 311.491 2.932 40 0 DFABHN COC(=O)Nc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000585140744 398435861 /nfs/dbraw/zinc/43/58/61/398435861.db2.gz JCVPUVPHCSKMFZ-MRXNPFEDSA-N 0 3 319.405 2.530 40 0 DFABHN Cc1cccnc1CN1CCC2(CC(NC(=O)C3CC3)C2)CC1 ZINC000108525973 185518679 /nfs/dbraw/zinc/51/86/79/185518679.db2.gz IEJFAZMWFJRWGD-UHFFFAOYSA-N 0 3 313.445 2.661 40 0 DFABHN CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)c2nccn2CC)cn1 ZINC000414241316 295780317 /nfs/dbraw/zinc/78/03/17/295780317.db2.gz GAEYWZWRSUCGDR-OFQRWUPVSA-N 0 3 317.437 2.548 40 0 DFABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C(F)(F)F ZINC000225586550 186280509 /nfs/dbraw/zinc/28/05/09/186280509.db2.gz CYXACHNGGYGRNL-UHFFFAOYSA-N 0 3 302.296 2.662 40 0 DFABHN Cc1cccc(Oc2nccnc2C2CCN(CCO)CC2)c1 ZINC000072361624 191131927 /nfs/dbraw/zinc/13/19/27/191131927.db2.gz ISSBZIDYVYIIDG-UHFFFAOYSA-N 0 3 313.401 2.749 40 0 DFABHN Cc1cc(C(=O)NC2CCCCC2)nc(C2CCN(C)CC2)n1 ZINC000072365888 191135962 /nfs/dbraw/zinc/13/59/62/191135962.db2.gz VHISNRLKMGEPBT-UHFFFAOYSA-N 0 3 316.449 2.657 40 0 DFABHN N=CCC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OCc1ccccc1 ZINC000409433312 398696888 /nfs/dbraw/zinc/69/68/88/398696888.db2.gz RJOVYISJMBGHDZ-FKEKPDDDSA-N 0 3 302.374 2.721 40 0 DFABHN COc1cccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000004133599 181077206 /nfs/dbraw/zinc/07/72/06/181077206.db2.gz NTGCURASHQAGLR-HDMKZQKVSA-N 0 3 314.429 2.642 40 0 DFABHN O[C@@H](CNCc1cccnc1)COc1ccc2ccccc2c1 ZINC000004934540 181174965 /nfs/dbraw/zinc/17/49/65/181174965.db2.gz OOFWPLXJSGDHKB-SFHVURJKSA-N 0 3 308.381 2.764 40 0 DFABHN Cc1cccc([C@@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)c1C ZINC000081323005 192249898 /nfs/dbraw/zinc/24/98/98/192249898.db2.gz TUADBKXNPMUSOJ-HOCLYGCPSA-N 0 3 323.458 2.790 40 0 DFABHN C[C@H](CN[C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621931 201264226 /nfs/dbraw/zinc/26/42/26/201264226.db2.gz KHQBSSHMQOSXRL-QAPCUYQASA-N 0 3 309.413 2.970 40 0 DFABHN CNc1ncccc1CN1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257306552 203033068 /nfs/dbraw/zinc/03/30/68/203033068.db2.gz SUSUTVWRZOUSQS-AWEZNQCLSA-N 0 3 322.416 2.774 40 0 DFABHN CN(C)C(=O)CN1CCC[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257329075 203052877 /nfs/dbraw/zinc/05/28/77/203052877.db2.gz XIHMPRADAZYDSP-OAHLLOKOSA-N 0 3 311.429 2.578 40 0 DFABHN Cc1ccccc1CNC(=O)c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000257342512 203065786 /nfs/dbraw/zinc/06/57/86/203065786.db2.gz ZOZYIUOCTAYYDN-MRXNPFEDSA-N 0 3 324.428 2.524 40 0 DFABHN O=C1NCCNC[C@H]1Cc1ccccc1-c1ccc(F)c(F)c1 ZINC000019348585 182117701 /nfs/dbraw/zinc/11/77/01/182117701.db2.gz QOCMYLPWRUJWHV-CQSZACIVSA-N 0 3 316.351 2.510 40 0 DFABHN CCN(CC)CCN(C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000022871005 182338791 /nfs/dbraw/zinc/33/87/91/182338791.db2.gz BXQOLQWNEFCLSG-CYBMUJFWSA-N 0 3 311.857 2.941 40 0 DFABHN O=C(NCc1ccncc1)C1CCN(Cc2ccccc2)CC1 ZINC000039762028 183021429 /nfs/dbraw/zinc/02/14/29/183021429.db2.gz ANCRPVACYRHFMA-UHFFFAOYSA-N 0 3 309.413 2.610 40 0 DFABHN CC[C@@](CO)(NCc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000085325079 542516170 /nfs/dbraw/zinc/51/61/70/542516170.db2.gz ATRIFICXLGXVIU-AVRDEDQJSA-N 0 3 317.454 2.811 40 0 DFABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](O)(CN)c1ccccc1 ZINC000072208045 257128354 /nfs/dbraw/zinc/12/83/54/257128354.db2.gz ABCTVXSHTFGKGD-CRAIPNDOSA-N 0 3 320.433 2.623 40 0 DFABHN c1ccc(C2CC2)c(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000584908333 543459761 /nfs/dbraw/zinc/45/97/61/543459761.db2.gz LFVYBFXSDVTBEV-UHFFFAOYSA-N 0 3 308.429 3.431 40 0 DFABHN CC[C@@H](C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000000299646 425551883 /nfs/dbraw/zinc/55/18/83/425551883.db2.gz GTDMBEAHNRSVAI-CQSZACIVSA-N 0 3 304.434 2.822 40 0 DFABHN COc1ccccc1CN1CCC(C(=O)NC2CCCC2)CC1 ZINC000000819222 425572969 /nfs/dbraw/zinc/57/29/69/425572969.db2.gz NVBKCQDIIFDZGU-UHFFFAOYSA-N 0 3 316.445 2.966 40 0 DFABHN COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](C)O)c1OC ZINC000001666326 425584649 /nfs/dbraw/zinc/58/46/49/425584649.db2.gz ZHZJTNMMMGZJNB-RHSMWYFYSA-N 0 3 315.413 2.958 40 0 DFABHN CCOC(=O)c1ccc(-c2ccc(CNCCOC)o2)cc1 ZINC000007520540 425646007 /nfs/dbraw/zinc/64/60/07/425646007.db2.gz BGKKKASQONKJMY-UHFFFAOYSA-N 0 3 303.358 2.859 40 0 DFABHN C[N+](C)=c1scc(-c2cc(Br)ccc2[O-])s1 ZINC000005535171 425625222 /nfs/dbraw/zinc/62/52/22/425625222.db2.gz MBGQDRSAAWNSMM-UHFFFAOYSA-O 0 3 317.253 2.977 40 0 DFABHN CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2 ZINC000005650614 425625478 /nfs/dbraw/zinc/62/54/78/425625478.db2.gz RLHKYVHZNZMLRH-UHFFFAOYSA-N 0 3 311.345 2.779 40 0 DFABHN COC(=O)c1ccc(-c2ccc(CNC(C)(C)CO)o2)cc1 ZINC000006883164 425631999 /nfs/dbraw/zinc/63/19/99/425631999.db2.gz WKLUSHUMLBEHTG-UHFFFAOYSA-N 0 3 303.358 2.594 40 0 DFABHN C[C@@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1C(=O)C1CC1 ZINC000012181019 425722007 /nfs/dbraw/zinc/72/20/07/425722007.db2.gz XXKQIROTOMQKJG-FZKQIMNGSA-N 0 3 314.429 2.503 40 0 DFABHN CC(C)(C)C(=O)N1CCc2cc([C@@H](O)CN3CCCC3)ccc21 ZINC000012181136 425722018 /nfs/dbraw/zinc/72/20/18/425722018.db2.gz SCIXIOLDLJBAIK-KRWDZBQOSA-N 0 3 316.445 2.751 40 0 DFABHN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N(C)CCN(C)C ZINC000012360885 425724371 /nfs/dbraw/zinc/72/43/71/425724371.db2.gz KVVBZJOPOCPBQP-UHFFFAOYSA-N 0 3 301.434 2.656 40 0 DFABHN Cc1cc2nc([C@H]3CCCN(Cc4ccccc4)C3)cc(N)n2n1 ZINC000019129309 425790121 /nfs/dbraw/zinc/79/01/21/425790121.db2.gz BWFYBIYGZLKPBK-INIZCTEOSA-N 0 3 321.428 3.000 40 0 DFABHN CCC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000035982071 425844870 /nfs/dbraw/zinc/84/48/70/425844870.db2.gz KKFOLMRJEYQFJU-ZOBUZTSGSA-N 0 3 319.445 2.997 40 0 DFABHN COC(=O)CCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000078760746 426185161 /nfs/dbraw/zinc/18/51/61/426185161.db2.gz MBZJFASNBCUYAM-CQSZACIVSA-N 0 3 305.374 2.548 40 0 DFABHN Cc1nccn1Cc1cccc(CNc2ncnc3[nH]cnc32)c1 ZINC000079016637 426189146 /nfs/dbraw/zinc/18/91/46/426189146.db2.gz ACNJSQWHPXYVTM-UHFFFAOYSA-N 0 3 319.372 2.518 40 0 DFABHN Cc1cn2c(n1)[C@H](CNCc1cccc3c1OCCO3)CCC2 ZINC000084257803 426235497 /nfs/dbraw/zinc/23/54/97/426235497.db2.gz HLFUCNAPZJPLCG-HNNXBMFYSA-N 0 3 313.401 2.630 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@H]12 ZINC000096058423 426394672 /nfs/dbraw/zinc/39/46/72/426394672.db2.gz NOKAQFBQZOHOFQ-PMACEKPBSA-N 0 3 307.441 2.929 40 0 DFABHN c1ncc2c(c1COCC1CC1)CCN(CC1CCOCC1)C2 ZINC000096059319 426395069 /nfs/dbraw/zinc/39/50/69/426395069.db2.gz CJVHEZMDUDWSTQ-UHFFFAOYSA-N 0 3 316.445 2.793 40 0 DFABHN O=C1C[C@H](c2ccccc2)C2(CCN(Cc3ccncc3)CC2)N1 ZINC000096061425 426395237 /nfs/dbraw/zinc/39/52/37/426395237.db2.gz BOUNGCXBAFKNMU-GOSISDBHSA-N 0 3 321.424 2.720 40 0 DFABHN CN1C(=O)C2(CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000096100255 426397621 /nfs/dbraw/zinc/39/76/21/426397621.db2.gz KPVXBAWTAPHUJJ-SFHVURJKSA-N 0 3 321.424 2.877 40 0 DFABHN Cc1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 ZINC000096112810 426399063 /nfs/dbraw/zinc/39/90/63/426399063.db2.gz PSMWUEXQTQQKCS-HNNXBMFYSA-N 0 3 308.385 2.601 40 0 biogenic,in-vitro DFABHN COc1ccc(-c2nc([C@H](N)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000095533656 426374057 /nfs/dbraw/zinc/37/40/57/426374057.db2.gz FGEMBNQBGIUGSV-OAHLLOKOSA-N 0 3 310.357 2.537 40 0 DFABHN CN(C)[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1cccnc1 ZINC000096200849 426406090 /nfs/dbraw/zinc/40/60/90/426406090.db2.gz PXEPUULAVAJZBM-CABCVRRESA-N 0 3 315.442 2.531 40 0 DFABHN CN(Cc1ccncc1)C1CC2(C1)CCN(c1ncccn1)CC2 ZINC000096038480 426389565 /nfs/dbraw/zinc/38/95/65/426389565.db2.gz VIWTWVYDGFSQQI-UHFFFAOYSA-N 0 3 323.444 2.753 40 0 DFABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccc(C)o1)CC2 ZINC000096047520 426390560 /nfs/dbraw/zinc/39/05/60/426390560.db2.gz GTMIYNYUNIBRLW-GOSISDBHSA-N 0 3 320.433 2.582 40 0 DFABHN Fc1cnc(N2CCC[C@]3(CCN(Cc4ccco4)C3)C2)nc1 ZINC000096047171 426390834 /nfs/dbraw/zinc/39/08/34/426390834.db2.gz DMAFELXCNMXSFD-QGZVFWFLSA-N 0 3 316.380 2.701 40 0 DFABHN O=C(c1ccco1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053881 426391939 /nfs/dbraw/zinc/39/19/39/426391939.db2.gz MXGVQKXKPDNNAF-HUUCEWRRSA-N 0 3 314.360 2.623 40 0 DFABHN CN(C)C(=O)N1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC000096051607 426392819 /nfs/dbraw/zinc/39/28/19/426392819.db2.gz QCKXPBSFVSEXFW-OAHLLOKOSA-N 0 3 305.422 2.638 40 0 DFABHN O=C1CC[C@@]2(CCCN(Cc3ccncc3)CC2)N1CC1CC1 ZINC000096217942 426408321 /nfs/dbraw/zinc/40/83/21/426408321.db2.gz HLRATDYJTCLYRG-LJQANCHMSA-N 0 3 313.445 2.839 40 0 DFABHN CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)CC3=CCCCC3)C2)O1 ZINC000096219401 426409562 /nfs/dbraw/zinc/40/95/62/426409562.db2.gz CGRIHUGPSGVTCG-IEBWSBKVSA-N 0 3 320.477 2.979 40 0 DFABHN CC(C)(C)[C@H](NC(=O)CNC[C@@H]1CCCO1)c1ccccc1 ZINC000195543200 426538245 /nfs/dbraw/zinc/53/82/45/426538245.db2.gz RMLCTUKYYYVCPD-DOTOQJQBSA-N 0 3 304.434 2.659 40 0 DFABHN CN1CCC(Oc2ccc(NC(=O)c3cccnc3)cc2)CC1 ZINC000225432431 426599188 /nfs/dbraw/zinc/59/91/88/426599188.db2.gz UPOZFWQYZLCFRH-UHFFFAOYSA-N 0 3 311.385 2.807 40 0 DFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248161728 426985116 /nfs/dbraw/zinc/98/51/16/426985116.db2.gz XTEIEZPOWLPYAO-OAHLLOKOSA-N 0 3 306.425 2.758 40 0 DFABHN CCNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C)n1 ZINC000329027822 427027569 /nfs/dbraw/zinc/02/75/69/427027569.db2.gz PTJQYFKQFHSQJP-GFCCVEGCSA-N 0 3 312.417 2.833 40 0 DFABHN Cc1nc(NCCCO)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329070595 427037466 /nfs/dbraw/zinc/03/74/66/427037466.db2.gz ZIFSODKEUJUMQY-ZDUSSCGKSA-N 0 3 312.417 2.531 40 0 DFABHN COc1ccc(CCNCc2ccnn2C(F)F)cc1OC ZINC000256053162 427304117 /nfs/dbraw/zinc/30/41/17/427304117.db2.gz QHUSPRHRFQYXTL-UHFFFAOYSA-N 0 3 311.332 2.628 40 0 DFABHN c1cc2c(cccc2CN2CCOC[C@@H](Cc3cnccn3)C2)[nH]1 ZINC000257208669 427308898 /nfs/dbraw/zinc/30/88/98/427308898.db2.gz BNCXOGMVFRTPML-HNNXBMFYSA-N 0 3 322.412 2.649 40 0 DFABHN Cc1c[nH]c([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257209337 427311717 /nfs/dbraw/zinc/31/17/17/427311717.db2.gz BPZYFTCSJGARSV-OAHLLOKOSA-N 0 3 313.401 2.869 40 0 DFABHN COCCN1CCC[C@H](c2cccc(-c3cc(C)[nH]n3)n2)C1 ZINC000257333379 427332669 /nfs/dbraw/zinc/33/26/69/427332669.db2.gz YBICRIIMPKJROA-AWEZNQCLSA-N 0 3 300.406 2.606 40 0 DFABHN Clc1ccsc1CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000193010888 427650919 /nfs/dbraw/zinc/65/09/19/427650919.db2.gz LHKFCXJISIOEQN-LLVKDONJSA-N 0 3 308.838 2.950 40 0 DFABHN Nc1cc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)ccn1 ZINC000193341834 427686192 /nfs/dbraw/zinc/68/61/92/427686192.db2.gz RJJITZSEQCKDFL-SFHVURJKSA-N 0 3 315.392 2.749 40 0 DFABHN CN(C)CCOc1cc(CN[C@@H]2CCCc3occc32)ccn1 ZINC000193059120 276792558 /nfs/dbraw/zinc/79/25/58/276792558.db2.gz QVIXMBRBCHEIJC-MRXNPFEDSA-N 0 3 315.417 2.782 40 0 DFABHN CN1C(=O)C2(CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000096100254 277006241 /nfs/dbraw/zinc/00/62/41/277006241.db2.gz KPVXBAWTAPHUJJ-GOSISDBHSA-N 0 3 321.424 2.877 40 0 DFABHN CC(C)(C)[C@H](NC(=O)CNC[C@H]1CCCO1)c1ccccc1 ZINC000195543204 277250248 /nfs/dbraw/zinc/25/02/48/277250248.db2.gz RMLCTUKYYYVCPD-NVXWUHKLSA-N 0 3 304.434 2.659 40 0 DFABHN Cc1nc(C)c(CN2CCC[C@]3(CN(C(C)C)C3=O)C2)s1 ZINC000585099274 430478167 /nfs/dbraw/zinc/47/81/67/430478167.db2.gz AFIAQIMWGOAENJ-MRXNPFEDSA-N 0 3 307.463 2.593 40 0 DFABHN CC(=O)c1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004263715 278248702 /nfs/dbraw/zinc/24/87/02/278248702.db2.gz XUUMJMMQAPWYAE-ZQIUZPCESA-N 0 3 305.418 2.607 40 0 DFABHN CNCC(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000193138540 323251736 /nfs/dbraw/zinc/25/17/36/323251736.db2.gz ZXCQDCWPXHZAHL-CYBMUJFWSA-N 0 3 310.397 2.513 40 0 DFABHN CCC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000078870256 185121198 /nfs/dbraw/zinc/12/11/98/185121198.db2.gz XIVCEMANHFOOHI-CZUORRHYSA-N 0 3 317.433 2.590 40 0 DFABHN CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1csc(C2CC2)n1 ZINC000084736410 398407629 /nfs/dbraw/zinc/40/76/29/398407629.db2.gz NAGSSPVGADPGBU-DOMZBBRYSA-N 0 3 307.463 2.757 40 0 DFABHN CN1CCCC[C@@H]2[C@H]1CCN2C(=O)c1nccc2ccccc21 ZINC000019712465 398408519 /nfs/dbraw/zinc/40/85/19/398408519.db2.gz IGJJRLAWWVDMNN-IAGOWNOFSA-N 0 3 309.413 2.934 40 0 DFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccc(C)s3)C2)C1 ZINC000585102690 398432610 /nfs/dbraw/zinc/43/26/10/398432610.db2.gz GKELXRNIWZBUMW-HNNXBMFYSA-N 0 3 308.491 2.989 40 0 DFABHN CC(=O)N[C@H]1CCCN(Cc2cccnc2)[C@H]1Cc1ccccc1 ZINC000585268879 398437593 /nfs/dbraw/zinc/43/75/93/398437593.db2.gz CFLUANMQWAOHJM-PMACEKPBSA-N 0 3 323.440 2.793 40 0 DFABHN CC(C)(CNCc1ccncc1N)N1CCc2ccccc2C1 ZINC000585141045 398435816 /nfs/dbraw/zinc/43/58/16/398435816.db2.gz OCSBRCMNURMNHW-UHFFFAOYSA-N 0 3 310.445 2.590 40 0 DFABHN CCn1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 ZINC000080341984 192150475 /nfs/dbraw/zinc/15/04/75/192150475.db2.gz WMVCQPNSEJCPKB-OAHLLOKOSA-N 0 3 304.825 2.925 40 0 DFABHN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000080471756 192159919 /nfs/dbraw/zinc/15/99/19/192159919.db2.gz USVSUEOJGWGVLV-OLZOCXBDSA-N 0 3 323.412 2.631 40 0 DFABHN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000080471762 192159976 /nfs/dbraw/zinc/15/99/76/192159976.db2.gz USVSUEOJGWGVLV-CHWSQXEVSA-N 0 3 323.412 2.631 40 0 DFABHN C[C@@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000072203960 191076463 /nfs/dbraw/zinc/07/64/63/191076463.db2.gz KAWJOCDWQLGMAB-ZIAGYGMSSA-N 0 3 320.437 2.774 40 0 DFABHN CC(C)C[NH+]1CCC(c2nccnc2[N-]c2ncccn2)CC1 ZINC000072363455 191132009 /nfs/dbraw/zinc/13/20/09/191132009.db2.gz OIQBHWYNCTVMLS-UHFFFAOYSA-N 0 3 312.421 2.846 40 0 DFABHN c1cc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)ccn1 ZINC000072389952 191148016 /nfs/dbraw/zinc/14/80/16/191148016.db2.gz JJMGGPSFWWOLRU-MRXNPFEDSA-N 0 3 321.384 2.906 40 0 DFABHN O=C1NCCCC12CCN(Cc1cccc3ncccc13)CC2 ZINC000072393747 191149654 /nfs/dbraw/zinc/14/96/54/191149654.db2.gz DGLLAGPJQYFQDP-UHFFFAOYSA-N 0 3 309.413 2.727 40 0 DFABHN COc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000004094193 181072648 /nfs/dbraw/zinc/07/26/48/181072648.db2.gz VIFMFBHTJUIBPY-YXJHDRRASA-N 0 3 314.429 2.642 40 0 DFABHN CCOP(=O)(OCC)[C@H](N)Cc1ccc(OC)c(OC)c1 ZINC000073388888 191310765 /nfs/dbraw/zinc/31/07/65/191310765.db2.gz VNEZKSFOJIRMSN-AWEZNQCLSA-N 0 3 317.322 2.797 40 0 DFABHN C[C@@H]1[C@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C ZINC000005464503 181246997 /nfs/dbraw/zinc/24/69/97/181246997.db2.gz MOSYSGPJTJMMDV-NXHRZFHOSA-N 0 3 318.461 2.763 40 0 DFABHN CC(C)CC[C@@](O)(C(=O)OCCN1CCCC1)c1ccccc1 ZINC000005962650 181301550 /nfs/dbraw/zinc/30/15/50/181301550.db2.gz YWXOVVJESJSUMQ-IBGZPJMESA-N 0 3 319.445 2.949 40 0 DFABHN C[C@@H](N1CCN(C)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000022873850 296030949 /nfs/dbraw/zinc/03/09/49/296030949.db2.gz CZVLBNHFOMBLQS-QGZVFWFLSA-N 0 3 310.441 2.558 40 0 DFABHN c1cn(CCCCNCc2cccc3c2OCCCO3)cn1 ZINC000079923422 399096913 /nfs/dbraw/zinc/09/69/13/399096913.db2.gz KHYHMDRHUNDTNR-UHFFFAOYSA-N 0 3 301.390 2.614 40 0 DFABHN CNc1cc(C)nc([C@H]2CN(C(=O)CC3CCCC3)CCO2)c1 ZINC000257306411 203031190 /nfs/dbraw/zinc/03/11/90/203031190.db2.gz SUEQAHDTIOKZQP-QGZVFWFLSA-N 0 3 317.433 2.912 40 0 DFABHN Cc1ncccc1O[C@H]1CCN(Cc2ccsc2)CC[C@@H]1O ZINC000257310354 203033873 /nfs/dbraw/zinc/03/38/73/203033873.db2.gz UESRVXORLOYFNS-RDJZCZTQSA-N 0 3 318.442 2.856 40 0 DFABHN COc1ccccc1CN1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257339961 203061857 /nfs/dbraw/zinc/06/18/57/203061857.db2.gz ZDXUPLYQMVKWEI-AWEZNQCLSA-N 0 3 312.417 2.522 40 0 DFABHN Cc1nc[nH]c1CN1CCC[C@@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257343188 203064877 /nfs/dbraw/zinc/06/48/77/203064877.db2.gz ZRVLWUYMOPORAK-CQSZACIVSA-N 0 3 324.432 2.688 40 0 DFABHN Cc1cc(C)n2ncc(CN3CCC[C@@H](Cc4cc[nH]n4)C3)c2n1 ZINC000257344594 203067664 /nfs/dbraw/zinc/06/76/64/203067664.db2.gz ZXYKVVCPIBNZQL-HNNXBMFYSA-N 0 3 324.432 2.524 40 0 DFABHN Cc1ncsc1CNc1cccc(CN2CCN(C)CC2)c1 ZINC000080196416 399125973 /nfs/dbraw/zinc/12/59/73/399125973.db2.gz LGZYUSBNZZKXJN-UHFFFAOYSA-N 0 3 316.474 2.811 40 0 DFABHN COc1ccccc1CN1CCC2(C1)CCN(C(C)=O)CC2 ZINC000096088716 193532443 /nfs/dbraw/zinc/53/24/43/193532443.db2.gz XPFIDDOJPDJNDK-UHFFFAOYSA-N 0 3 302.418 2.530 40 0 DFABHN C[C@@H](CN1CC[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000195572849 399187935 /nfs/dbraw/zinc/18/79/35/399187935.db2.gz JVKKQTKFBFTIQE-WMLDXEAASA-N 0 3 308.853 2.850 40 0 DFABHN CCN(CC)CCN(C)CC(=O)Nc1cccc(Cl)c1C ZINC000019366451 182119147 /nfs/dbraw/zinc/11/91/47/182119147.db2.gz XDWLZTCEOPEUBO-UHFFFAOYSA-N 0 3 311.857 2.861 40 0 DFABHN CCC(=O)NC1CCN(CC2(c3ccc(OC)cc3)CC2)CC1 ZINC000019499279 182125935 /nfs/dbraw/zinc/12/59/35/182125935.db2.gz PZURDOYLGIESME-UHFFFAOYSA-N 0 3 316.445 2.717 40 0 DFABHN CCn1cc(CN(CCN(C)C)Cc2ccc(C)o2)c(C)n1 ZINC000019524499 182128283 /nfs/dbraw/zinc/12/82/83/182128283.db2.gz QRSZITDQOPBWDE-UHFFFAOYSA-N 0 3 304.438 2.677 40 0 DFABHN Cc1cc(C)cc(OC[C@H](C)NC(=O)CC2CCN(C)CC2)c1 ZINC000019748340 182142872 /nfs/dbraw/zinc/14/28/72/182142872.db2.gz ALYWCYXBPYQMAJ-INIZCTEOSA-N 0 3 318.461 2.919 40 0 DFABHN NC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 ZINC000019796384 182151017 /nfs/dbraw/zinc/15/10/17/182151017.db2.gz SIEABBLNLRRUTN-LJQANCHMSA-N 0 3 312.413 2.598 40 0 DFABHN COc1ccc(C(=O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000022931216 182341884 /nfs/dbraw/zinc/34/18/84/182341884.db2.gz FIIXIBOWXGJFFR-UHFFFAOYSA-N 0 3 316.445 2.828 40 0 DFABHN c1ccc(-c2nccc(NC3CCN([C@@H]4CCOC4)CC3)n2)cc1 ZINC000084564906 542511904 /nfs/dbraw/zinc/51/19/04/542511904.db2.gz OBWUPPKLKREAAT-QGZVFWFLSA-N 0 3 324.428 2.809 40 0 DFABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@H](N)c1ccccc1 ZINC000072223715 257123261 /nfs/dbraw/zinc/12/32/61/257123261.db2.gz QJYYGVHULMUGLE-HXUWFJFHSA-N 0 3 324.472 2.969 40 0 DFABHN N[C@H](CC1CCCCC1)C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000333806066 543122440 /nfs/dbraw/zinc/12/24/40/543122440.db2.gz IMXWCZQZKAORPG-CVEARBPZSA-N 0 3 322.474 2.946 40 0 DFABHN N[C@H](CCCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608377 425583648 /nfs/dbraw/zinc/58/36/48/425583648.db2.gz JITNRAXEOGIKMS-HDICACEKSA-N 0 3 324.424 2.967 40 0 DFABHN COc1cccc([C@H](Cc2ccccc2)NC[C@@H](C)O)c1OC ZINC000001666324 425584283 /nfs/dbraw/zinc/58/42/83/425584283.db2.gz ZHZJTNMMMGZJNB-PBHICJAKSA-N 0 3 315.413 2.958 40 0 DFABHN CCOc1cc(CNCCO)ccc1OCc1cccs1 ZINC000008254741 425664202 /nfs/dbraw/zinc/66/42/02/425664202.db2.gz HMDCJOFLDQFCPZ-UHFFFAOYSA-N 0 3 307.415 2.808 40 0 DFABHN NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010338918 425701689 /nfs/dbraw/zinc/70/16/89/425701689.db2.gz AMPQTUIVQGMSJS-UHFFFAOYSA-N 0 3 323.396 2.634 40 0 DFABHN COc1cc2cc(CNCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000013999232 425764344 /nfs/dbraw/zinc/76/43/44/425764344.db2.gz JTJBHQRIPQOUMN-UHFFFAOYSA-N 0 3 324.380 2.835 40 0 DFABHN CN(C)CCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000044844056 425857937 /nfs/dbraw/zinc/85/79/37/425857937.db2.gz PFPFEHISKQTWAW-UHFFFAOYSA-N 0 3 323.440 2.541 40 0 DFABHN Fc1ccccc1CN(CCCn1ccnc1)C[C@H]1CCOC1 ZINC000036740361 425846215 /nfs/dbraw/zinc/84/62/15/425846215.db2.gz WGSJTHOLSRVNMB-MRXNPFEDSA-N 0 3 317.408 2.951 40 0 DFABHN c1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)nc1 ZINC000107751996 426002371 /nfs/dbraw/zinc/00/23/71/426002371.db2.gz OUSDVTDCLSEYJO-OALUTQOASA-N 0 3 316.445 2.879 40 0 DFABHN OCCN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072343740 426015549 /nfs/dbraw/zinc/01/55/49/426015549.db2.gz MFBARDKVLYKAKT-AWEZNQCLSA-N 0 3 317.820 2.969 40 0 DFABHN CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(C)CC1 ZINC000113950697 426123963 /nfs/dbraw/zinc/12/39/63/426123963.db2.gz HNDUOULNUBMRAU-CQSZACIVSA-N 0 3 310.825 2.708 40 0 DFABHN COCCN1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000085467942 426252502 /nfs/dbraw/zinc/25/25/02/426252502.db2.gz BXTRQSGXZUQWJK-UHFFFAOYSA-N 0 3 312.413 2.680 40 0 DFABHN CC(C)Oc1ncnc2c1CCN(Cc1cccs1)CC2 ZINC000096058778 426395425 /nfs/dbraw/zinc/39/54/25/426395425.db2.gz ZHGQMLZXVODEFI-UHFFFAOYSA-N 0 3 303.431 2.926 40 0 DFABHN Fc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)cc1 ZINC000096082318 426396227 /nfs/dbraw/zinc/39/62/27/426396227.db2.gz VVPXTKPUJIKDNF-QZTJIDSGSA-N 0 3 304.409 2.511 40 0 DFABHN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccco2)cn1 ZINC000096200684 426406747 /nfs/dbraw/zinc/40/67/47/426406747.db2.gz AGXDPCMRLDCAFR-ROUUACIJSA-N 0 3 315.417 2.625 40 0 DFABHN c1cc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cs1 ZINC000096107753 426399522 /nfs/dbraw/zinc/39/95/22/426399522.db2.gz DBWJRKARIMVWLI-SJORKVTESA-N 0 3 316.426 2.956 40 0 DFABHN CN(C)C(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157600 426402241 /nfs/dbraw/zinc/40/22/41/426402241.db2.gz BFLZESAFLKMQOX-UHFFFAOYSA-N 0 3 319.424 2.795 40 0 DFABHN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161716 426403290 /nfs/dbraw/zinc/40/32/90/426403290.db2.gz QLYHFSUQLIXEHE-CALCHBBNSA-N 0 3 314.404 2.682 40 0 DFABHN CN(Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC000096182935 426404530 /nfs/dbraw/zinc/40/45/30/426404530.db2.gz NLUOXVUOTHFFIG-SQNIBIBYSA-N 0 3 313.445 2.551 40 0 DFABHN Cc1ccc(CN[C@@H]2CCc3c(ccc(=O)n3CC3CC3)C2)o1 ZINC000096189732 426405295 /nfs/dbraw/zinc/40/52/95/426405295.db2.gz IHDRLXJIEVINLF-MRXNPFEDSA-N 0 3 312.413 2.807 40 0 DFABHN COc1ccc(CN2CC3(C2)CCN(Cc2ccncc2)C3)cc1 ZINC000096202558 426406521 /nfs/dbraw/zinc/40/65/21/426406521.db2.gz QYUOSQGNCYMJAS-UHFFFAOYSA-N 0 3 323.440 2.798 40 0 DFABHN c1coc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)c1 ZINC000096047882 426390226 /nfs/dbraw/zinc/39/02/26/426390226.db2.gz XTJSZLRCDGHMSV-QGZVFWFLSA-N 0 3 314.385 2.877 40 0 DFABHN c1ccc(CN2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)nc1 ZINC000096046953 426390292 /nfs/dbraw/zinc/39/02/92/426390292.db2.gz BPWAAOKHTGOQAN-FQEVSTJZSA-N 0 3 322.456 2.965 40 0 DFABHN COc1ccc2c(c1)C1(C[C@H]2OC)CCN([C@H]2CCOC2)CC1 ZINC000096241866 426410717 /nfs/dbraw/zinc/41/07/17/426410717.db2.gz XLYGZWGTECXOLM-KBXCAEBGSA-N 0 3 317.429 2.909 40 0 DFABHN c1csc(CN2CC[C@@H]3CN(Cc4cccnc4)CC[C@H]32)n1 ZINC000096249229 426411360 /nfs/dbraw/zinc/41/13/60/426411360.db2.gz BAPCCJNRVAAEOP-HZPDHXFCSA-N 0 3 314.458 2.635 40 0 DFABHN Cc1cccc(COC[C@@H]2C[C@H]3OCCN(CC4CC4)[C@@H]3C2)n1 ZINC000096250759 426411379 /nfs/dbraw/zinc/41/13/79/426411379.db2.gz FMASDQQWZQSGBS-QXAKKESOSA-N 0 3 316.445 2.796 40 0 DFABHN COc1cccc([C@H](C)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000195535724 426536595 /nfs/dbraw/zinc/53/65/95/426536595.db2.gz UZTDUOPAVXIZCE-IRXDYDNUSA-N 0 3 318.461 2.800 40 0 DFABHN COCc1nc2n(n1)CCC[C@H]2NC[C@@H](C)c1ccc(F)cc1 ZINC000195573395 426538837 /nfs/dbraw/zinc/53/88/37/426538837.db2.gz VXXOWXKJPSQPMT-IUODEOHRSA-N 0 3 318.396 2.792 40 0 DFABHN CCO[C@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000225723089 426609479 /nfs/dbraw/zinc/60/94/79/426609479.db2.gz ZRGYPLSFBCDKPM-SFHVURJKSA-N 0 3 320.433 2.771 40 0 DFABHN Fc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)cc1 ZINC000247550697 426950160 /nfs/dbraw/zinc/95/01/60/426950160.db2.gz VVPXTKPUJIKDNF-ROUUACIJSA-N 0 3 304.409 2.511 40 0 DFABHN Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)s1 ZINC000257231103 427318972 /nfs/dbraw/zinc/31/89/72/427318972.db2.gz GFGDSGGNBQBUAT-ZJOBFFGXSA-N 0 3 319.474 2.847 40 0 DFABHN COCCN1CCC(c2cccc(-c3cc(C)[nH]n3)n2)CC1 ZINC000257259174 427327799 /nfs/dbraw/zinc/32/77/99/427327799.db2.gz KXEWDOYDPWZRFN-UHFFFAOYSA-N 0 3 300.406 2.606 40 0 DFABHN CCN1CCN(c2cccc(NCc3cncs3)c2)CC1 ZINC000191883727 427438345 /nfs/dbraw/zinc/43/83/45/427438345.db2.gz AIRIMOJLACMYSO-UHFFFAOYSA-N 0 3 302.447 2.897 40 0 DFABHN CCc1nccn1[C@@H]1CCCN(CCO[C@@H]2CCCCO2)C1 ZINC000193050964 427658975 /nfs/dbraw/zinc/65/89/75/427658975.db2.gz UDVQRNQODPHGKR-NVXWUHKLSA-N 0 3 307.438 2.626 40 0 DFABHN CN(C)[C@H](CNC(=O)Nc1ncccc1F)c1ccccc1 ZINC000193915664 427722999 /nfs/dbraw/zinc/72/29/99/427722999.db2.gz GQFHPVXYEGQQCL-CQSZACIVSA-N 0 3 302.353 2.645 40 0 DFABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096158730 276339711 /nfs/dbraw/zinc/33/97/11/276339711.db2.gz NKRLBQYLIKQQKH-HNNXBMFYSA-N 0 3 319.401 2.575 40 0 DFABHN CC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004263716 277113092 /nfs/dbraw/zinc/11/30/92/277113092.db2.gz XUUMJMMQAPWYAE-CPUCHLNUSA-N 0 3 305.418 2.607 40 0 DFABHN C[C@@H]1CN(CCSCc2ccccc2)CCN1CC(C)(C)O ZINC000192804466 297009149 /nfs/dbraw/zinc/00/91/49/297009149.db2.gz LFAMCKUHENLICY-MRXNPFEDSA-N 0 3 322.518 2.697 40 0 DFABHN COc1ccc2c(c1O)[C@]1(CCN(C)C)CC(=O)CC[C@H]1C=C2 ZINC000001721261 295277673 /nfs/dbraw/zinc/27/76/73/295277673.db2.gz ZWNYBWZHYOGFEA-AUUYWEPGSA-N 0 3 315.413 2.986 40 0 DFABHN COc1cc(OC)cc(N2CC[C@@H](NCc3ccco3)C2)c1 ZINC000078996582 185143211 /nfs/dbraw/zinc/14/32/11/185143211.db2.gz GCYXXAURMDJSJG-CYBMUJFWSA-N 0 3 302.374 2.665 40 0 DFABHN COc1ccc([C@H](CO)N(C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000079091258 185156280 /nfs/dbraw/zinc/15/62/80/185156280.db2.gz JQMOQVIVTBVXAD-ROUUACIJSA-N 0 3 319.376 2.533 40 0 DFABHN CN(Cc1cccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079439685 185171638 /nfs/dbraw/zinc/17/16/38/185171638.db2.gz HCLCHSSZDVZUSO-UHFFFAOYSA-N 0 3 305.422 2.913 40 0 DFABHN CN(C)[C@@H](CNC(=O)Nc1ncccc1F)c1ccccc1 ZINC000193915652 282177199 /nfs/dbraw/zinc/17/71/99/282177199.db2.gz GQFHPVXYEGQQCL-AWEZNQCLSA-N 0 3 302.353 2.645 40 0 DFABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccccn1)CC2 ZINC000585105025 398432881 /nfs/dbraw/zinc/43/28/81/398432881.db2.gz NWLZWHOCAYHRPJ-MRXNPFEDSA-N 0 3 304.434 2.879 40 0 DFABHN COC[C@@H](O)CCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000090950109 398498554 /nfs/dbraw/zinc/49/85/54/398498554.db2.gz GKKJOMQIINNVID-FUHWJXTLSA-N 0 3 319.445 2.766 40 0 DFABHN CC(C)(C)OC(=O)NC[C@@H](N)c1cccc(Br)c1 ZINC000083428814 192371364 /nfs/dbraw/zinc/37/13/64/192371364.db2.gz GYXPOVYGRXGVBV-LLVKDONJSA-N 0 3 315.211 2.974 40 0 DFABHN OCc1ccc(CN[C@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000080341991 192150703 /nfs/dbraw/zinc/15/07/03/192150703.db2.gz ZCSPCJXZETVQNU-ZDUSSCGKSA-N 0 3 306.793 2.794 40 0 DFABHN Cc1noc(C)c1CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000084023585 192396144 /nfs/dbraw/zinc/39/61/44/192396144.db2.gz YZYAMIGMFHRCPU-UHFFFAOYSA-N 0 3 309.410 2.781 40 0 DFABHN C[C@H](NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000072203959 191076037 /nfs/dbraw/zinc/07/60/37/191076037.db2.gz KAWJOCDWQLGMAB-UONOGXRCSA-N 0 3 320.437 2.774 40 0 DFABHN COCCN1CCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072354637 191129013 /nfs/dbraw/zinc/12/90/13/191129013.db2.gz LFNMNRHKHMXNHC-HNNXBMFYSA-N 0 3 316.380 2.648 40 0 DFABHN Cc1nc(C(=O)NCc2ccccc2)cc(C2CCN(C)CC2)n1 ZINC000072382868 191143014 /nfs/dbraw/zinc/14/30/14/191143014.db2.gz HZYPCESTAGHAQK-UHFFFAOYSA-N 0 3 324.428 2.524 40 0 DFABHN Fc1cccc(CN2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000072393755 191149651 /nfs/dbraw/zinc/14/96/51/191149651.db2.gz QVKNGUAGLMMSQH-UHFFFAOYSA-N 0 3 311.364 2.872 40 0 DFABHN Fc1ccc(CN2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000072393753 191149999 /nfs/dbraw/zinc/14/99/99/191149999.db2.gz LPNBAFANSAVULD-UHFFFAOYSA-N 0 3 311.364 2.872 40 0 DFABHN CC(C)CNCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001671427 180886554 /nfs/dbraw/zinc/88/65/54/180886554.db2.gz XHOGTFIXWWIHPB-UHFFFAOYSA-N 0 3 306.406 2.684 40 0 DFABHN C[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1cccc(O)c1 ZINC000194940228 201313512 /nfs/dbraw/zinc/31/35/12/201313512.db2.gz AAZCUKYARGEOOH-UONOGXRCSA-N 0 3 323.396 2.841 40 0 DFABHN CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@@H](C)C1 ZINC000078897230 398996055 /nfs/dbraw/zinc/99/60/55/398996055.db2.gz FFZSEKRMUXVZTA-FZMZJTMJSA-N 0 3 307.463 2.757 40 0 DFABHN COc1ccc([C@H]2CNCCN2Cc2ccnn2C(C)C)cc1 ZINC000257293251 203018350 /nfs/dbraw/zinc/01/83/50/203018350.db2.gz QOSLHPVLZAGSLA-GOSISDBHSA-N 0 3 314.433 2.619 40 0 DFABHN c1c2ccccc2oc1CN1CCOC[C@H](Cc2cnccn2)C1 ZINC000257328008 203051809 /nfs/dbraw/zinc/05/18/09/203051809.db2.gz XDTFYLSPSFESEY-OAHLLOKOSA-N 0 3 323.396 2.914 40 0 DFABHN CCc1nccn1CCC(=O)N1CCCC[C@H]1c1[nH]ncc1C ZINC000257335792 203057696 /nfs/dbraw/zinc/05/76/96/203057696.db2.gz YLXOGWVOWRSNKE-AWEZNQCLSA-N 0 3 315.421 2.621 40 0 DFABHN COc1cc(CN2CC[C@H](c3nc(C)cn3C)C2)cc(OC)c1 ZINC000257336039 203058378 /nfs/dbraw/zinc/05/83/78/203058378.db2.gz YMXBMEWRKRLFNF-HNNXBMFYSA-N 0 3 315.417 2.735 40 0 DFABHN c1ccc(CN2CCC3(CCN(c4ccccn4)C3)CC2)nc1 ZINC000096157557 193555240 /nfs/dbraw/zinc/55/52/40/193555240.db2.gz WPAJHJDPDFGXBZ-UHFFFAOYSA-N 0 3 308.429 2.969 40 0 DFABHN COc1ccc2c(c1)OCCC[C@@H]2NCCOc1cccnc1 ZINC000195561629 399186558 /nfs/dbraw/zinc/18/65/58/399186558.db2.gz QASBNVWDXFSJEG-KRWDZBQOSA-N 0 3 314.385 2.973 40 0 DFABHN Cc1ccc(C(=O)CCN2CCCC[C@H]2Cn2ccnn2)cc1 ZINC000195568734 399187492 /nfs/dbraw/zinc/18/74/92/399187492.db2.gz FUOSWWWCKWTCHE-KRWDZBQOSA-N 0 3 312.417 2.714 40 0 DFABHN Cc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000019117944 182105440 /nfs/dbraw/zinc/10/54/40/182105440.db2.gz UQHYKKJGXHTTLS-CQSZACIVSA-N 0 3 301.365 2.597 40 0 DFABHN C[C@@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)on2)C1 ZINC000019496548 182125465 /nfs/dbraw/zinc/12/54/65/182125465.db2.gz YRYMEQSGQXKLNJ-GFCCVEGCSA-N 0 3 305.422 2.792 40 0 DFABHN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(CC(C)C)C[C@@H]12 ZINC000072395796 285177036 /nfs/dbraw/zinc/17/70/36/285177036.db2.gz MOYINYLMWQULRD-APWZRJJASA-N 0 3 314.429 2.692 40 0 DFABHN CC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C)CC3)ccc21 ZINC000012291144 542420736 /nfs/dbraw/zinc/42/07/36/542420736.db2.gz KVPRRSRCOHANGY-IBGZPJMESA-N 0 3 316.445 2.751 40 0 DFABHN CC[C@@H](CN1CCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000012239721 542419986 /nfs/dbraw/zinc/41/99/86/542419986.db2.gz IGAFTUKOZFDMNT-INIZCTEOSA-N 0 3 304.409 2.848 40 0 DFABHN CCc1nc(CNC[C@@H]2CCO[C@@H]2c2cnn(CC)c2)cs1 ZINC000083830335 542504312 /nfs/dbraw/zinc/50/43/12/542504312.db2.gz LZXBLZMYHVVPJP-LRDDRELGSA-N 0 3 320.462 2.789 40 0 DFABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCN(C(C)C)CC1 ZINC000072222674 257123091 /nfs/dbraw/zinc/12/30/91/257123091.db2.gz IHQMZQAKPSDBGL-IBGZPJMESA-N 0 3 324.472 2.969 40 0 DFABHN CCN1CCN(c2cc(C)c([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072223638 257123315 /nfs/dbraw/zinc/12/33/15/257123315.db2.gz TYJHXZSQYDFZBY-IBGZPJMESA-N 0 3 310.445 2.580 40 0 DFABHN COc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095534148 257136182 /nfs/dbraw/zinc/13/61/82/257136182.db2.gz NCKOEINNDVYWKY-INIZCTEOSA-N 0 3 324.384 2.845 40 0 DFABHN CN(C)Cc1ccc(CN(C)Cc2[nH]nc3c2CCCC3)cc1 ZINC000012147138 425720707 /nfs/dbraw/zinc/72/07/07/425720707.db2.gz BYCKWOPIWFDPPA-UHFFFAOYSA-N 0 3 312.461 2.982 40 0 DFABHN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCC3)cc12 ZINC000012186482 425721978 /nfs/dbraw/zinc/72/19/78/425721978.db2.gz JDKZRHLDDTVIJL-UHFFFAOYSA-N 0 3 308.385 2.664 40 0 DFABHN COc1ccccc1CN(C[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000012187563 425722418 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O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(C2CCCCC2)C1 ZINC000015674492 182012057 /nfs/dbraw/zinc/01/20/57/182012057.db2.gz SDKMNLAUBLTLCJ-CABCVRRESA-N 0 3 314.389 2.572 40 0 biogenic,in-vitro DFABHN C[C@@H](Oc1ccccc1F)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000019078951 182103623 /nfs/dbraw/zinc/10/36/23/182103623.db2.gz OLLMDMYMUYCEOU-ZIAGYGMSSA-N 0 3 308.397 2.536 40 0 DFABHN Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]c(=O)c1C ZINC000019555366 182130472 /nfs/dbraw/zinc/13/04/72/182130472.db2.gz XLZNZQOVJXSSBB-OAHLLOKOSA-N 0 3 315.392 2.905 40 0 DFABHN CNc1cc([C@@H](N)Cc2ccccc2)nc(-c2cccnc2)n1 ZINC000019592145 182132422 /nfs/dbraw/zinc/13/24/22/182132422.db2.gz HNWPPZBAXIBCAN-HNNXBMFYSA-N 0 3 305.385 2.823 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000021012833 182260284 /nfs/dbraw/zinc/26/02/84/182260284.db2.gz NWNZLOQCRSEDSQ-UHIISALHSA-N 0 3 302.340 2.814 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000022168067 182312262 /nfs/dbraw/zinc/31/22/62/182312262.db2.gz NOVVOAJSVRVRGX-GYSYKLTISA-N 0 3 313.239 2.558 40 0 DFABHN COc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H]2C)N2CCCC2)cc1 ZINC000022515999 182324493 /nfs/dbraw/zinc/32/44/93/182324493.db2.gz LKSWKIDHUNZFDW-RRQGHBQHSA-N 0 3 302.418 2.604 40 0 DFABHN CN(C)CCN(C)C(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012238126 542419996 /nfs/dbraw/zinc/41/99/96/542419996.db2.gz BMLQFZUEPMRLKN-UHFFFAOYSA-N 0 3 321.421 2.512 40 0 DFABHN CCCCN1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216587 257125668 /nfs/dbraw/zinc/12/56/68/257125668.db2.gz RNROYLRIJJUMSG-QGZVFWFLSA-N 0 3 302.466 2.770 40 0 DFABHN C[C@@H]1CN([C@H](CN)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000022168073 257129785 /nfs/dbraw/zinc/12/97/85/257129785.db2.gz NOVVOAJSVRVRGX-JTNHKYCSSA-N 0 3 313.239 2.558 40 0 DFABHN CCOC(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1 ZINC000001671436 425585162 /nfs/dbraw/zinc/58/51/62/425585162.db2.gz VWUAQHVHCXFCFT-UHFFFAOYSA-N 0 3 304.390 2.724 40 0 DFABHN Cc1oc2ccccc2c1C[N@@H+]1CCc2nc(C)[n-]c(=O)c2C1 ZINC000012185054 425721474 /nfs/dbraw/zinc/72/14/74/425721474.db2.gz JWNHGGHBUMILAS-UHFFFAOYSA-N 0 3 309.369 2.691 40 0 DFABHN Cc1oc2ccccc2c1C[N@H+]1CCc2nc(C)[n-]c(=O)c2C1 ZINC000012185054 425721477 /nfs/dbraw/zinc/72/14/77/425721477.db2.gz JWNHGGHBUMILAS-UHFFFAOYSA-N 0 3 309.369 2.691 40 0 DFABHN Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N(C)CCN(C)C ZINC000012360879 425723439 /nfs/dbraw/zinc/72/34/39/425723439.db2.gz UAHNYKRRMFDJHU-UHFFFAOYSA-N 0 3 307.825 2.692 40 0 DFABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1ccc(OC)c(C)c1 ZINC000012363003 425723941 /nfs/dbraw/zinc/72/39/41/425723941.db2.gz OOHCHJPHYQFOST-QGZVFWFLSA-N 0 3 318.461 2.927 40 0 DFABHN C[C@@H](O)CN(Cc1ccc(O)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991785 425763677 /nfs/dbraw/zinc/76/36/77/425763677.db2.gz XXWRBMWHRHXZAG-CYBMUJFWSA-N 0 3 315.369 2.504 40 0 DFABHN C[C@H]1CN([C@@H](CN)c2ccccc2Br)C[C@H](C)O1 ZINC000036998901 425846996 /nfs/dbraw/zinc/84/69/96/425846996.db2.gz DGRKQZVTLWFUKF-MJVIPROJSA-N 0 3 313.239 2.558 40 0 DFABHN CC(C)NC(=O)[C@H]1CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000108533833 426018048 /nfs/dbraw/zinc/01/80/48/426018048.db2.gz HNVNPJDIOIOKQM-SJLPKXTDSA-N 0 3 301.434 2.598 40 0 DFABHN Cc1cc(NCc2ccnc(N3CCCCCC3)c2)nc(N)n1 ZINC000078656567 426179344 /nfs/dbraw/zinc/17/93/44/426179344.db2.gz RLAJLMJIWRFNEY-UHFFFAOYSA-N 0 3 312.421 2.755 40 0 DFABHN CN(C)CCN(Cc1ccccc1)C(=O)COC1CCCCC1 ZINC000078648629 426179643 /nfs/dbraw/zinc/17/96/43/426179643.db2.gz RYKBAZCINVRXIA-UHFFFAOYSA-N 0 3 318.461 2.926 40 0 DFABHN Cc1ncc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000084290614 426236209 /nfs/dbraw/zinc/23/62/09/426236209.db2.gz ZCVFLOKNLDMSSK-VNHYZAJKSA-N 0 3 309.479 2.525 40 0 DFABHN O=C1CC[C@H]2[C@H](CCN2Cc2cccs2)N1c1cccnc1 ZINC000096064717 426394793 /nfs/dbraw/zinc/39/47/93/426394793.db2.gz NZUCIIHAYJICDO-HOTGVXAUSA-N 0 3 313.426 2.913 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@H]12 ZINC000096058421 426394971 /nfs/dbraw/zinc/39/49/71/426394971.db2.gz HFHZFOCWFVKYHD-PMACEKPBSA-N 0 3 307.441 2.929 40 0 DFABHN c1cc(CN2CCc3ncnc(N4CCCC4)c3CC2)cs1 ZINC000096058717 426395046 /nfs/dbraw/zinc/39/50/46/426395046.db2.gz AGHCMTWSAONEIM-UHFFFAOYSA-N 0 3 314.458 2.739 40 0 DFABHN COCCN1CCC2(CCC(=O)N2Cc2cccc(C)c2)CC1 ZINC000096075428 426396195 /nfs/dbraw/zinc/39/61/95/426396195.db2.gz NQEZRGNCZXYPKA-UHFFFAOYSA-N 0 3 316.445 2.598 40 0 DFABHN CCO[C@@H]1COC2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000096106573 426397479 /nfs/dbraw/zinc/39/74/79/426397479.db2.gz FQWJMWFYKDOTOK-KRWDZBQOSA-N 0 3 305.418 2.855 40 0 DFABHN Cc1cccc2c1nc1n2[C@@H](CNCc2ccccn2)COC1 ZINC000096112645 426399281 /nfs/dbraw/zinc/39/92/81/426399281.db2.gz OHDXYFGARQUDMZ-HNNXBMFYSA-N 0 3 308.385 2.601 40 0 biogenic,in-vitro DFABHN c1cnc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nc1 ZINC000096158457 426401891 /nfs/dbraw/zinc/40/18/91/426401891.db2.gz RXJHKYJNFOYOPI-UHFFFAOYSA-N 0 3 323.444 2.754 40 0 DFABHN Cc1ccc(CN[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)o1 ZINC000096189733 426404085 /nfs/dbraw/zinc/40/40/85/426404085.db2.gz IHDRLXJIEVINLF-INIZCTEOSA-N 0 3 312.413 2.807 40 0 DFABHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)CC2 ZINC000096196840 426405672 /nfs/dbraw/zinc/40/56/72/426405672.db2.gz BMWILIJRVCEGBQ-UHFFFAOYSA-N 0 3 318.490 2.843 40 0 DFABHN CCCCc1ncc(CN2CCC3(CC2)OCCC[C@@H]3OC)[nH]1 ZINC000095386727 426371573 /nfs/dbraw/zinc/37/15/73/426371573.db2.gz GDYWVOVQZPFHRF-INIZCTEOSA-N 0 3 321.465 2.912 40 0 DFABHN CCO[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H]1Cc1cnn(C)c1 ZINC000096200623 426405969 /nfs/dbraw/zinc/40/59/69/426405969.db2.gz ZFVSPCWWIOQHOI-QZTJIDSGSA-N 0 3 317.408 2.781 40 0 DFABHN CN(C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1ccncc1 ZINC000096200989 426406213 /nfs/dbraw/zinc/40/62/13/426406213.db2.gz FWCIZTKCZXDULE-CVEARBPZSA-N 0 3 315.442 2.531 40 0 DFABHN Cc1cnc2n1CCN(C)C21CCN(Cc2cccs2)CC1 ZINC000096036993 426389577 /nfs/dbraw/zinc/38/95/77/426389577.db2.gz PFSREJZQPQQBSX-UHFFFAOYSA-N 0 3 316.474 2.690 40 0 DFABHN c1coc(CN2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)c1 ZINC000096040682 426391682 /nfs/dbraw/zinc/39/16/82/426391682.db2.gz HIZNETZVELXWCZ-LESCRADOSA-N 0 3 313.401 2.766 40 0 DFABHN c1cc(CN2CCC3(CC2)COCCN3CC2CC2)cs1 ZINC000096048914 426391973 /nfs/dbraw/zinc/39/19/73/426391973.db2.gz WLWUDACZMGRGOJ-UHFFFAOYSA-N 0 3 306.475 2.825 40 0 DFABHN Cc1ccsc1CN1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC000096216987 426408444 /nfs/dbraw/zinc/40/84/44/426408444.db2.gz QSXPKJGIOSGMHA-BFHYXJOUSA-N 0 3 319.430 2.580 40 0 DFABHN COCCN1C(=O)CCC12CCN(Cc1ccc(C)s1)CC2 ZINC000096228061 426410011 /nfs/dbraw/zinc/41/00/11/426410011.db2.gz XWWJGAQYJNLODZ-UHFFFAOYSA-N 0 3 322.474 2.660 40 0 DFABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)n1 ZINC000096206245 426407191 /nfs/dbraw/zinc/40/71/91/426407191.db2.gz IPMKYDIWTOMOIZ-IEBWSBKVSA-N 0 3 316.445 2.655 40 0 DFABHN COc1cccc([C@@H](C)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000195535722 426535853 /nfs/dbraw/zinc/53/58/53/426535853.db2.gz UZTDUOPAVXIZCE-SJORKVTESA-N 0 3 318.461 2.800 40 0 DFABHN Cc1c(CCN[C@H]2CCCOc3cc(F)ccc32)cnn1C ZINC000195557695 426539251 /nfs/dbraw/zinc/53/92/51/426539251.db2.gz DIJGPIQJDYXKQZ-INIZCTEOSA-N 0 3 303.381 2.914 40 0 DFABHN CS[C@@H](CO)[C@@H](C)NCc1sccc1Br ZINC000195564534 426539622 /nfs/dbraw/zinc/53/96/22/426539622.db2.gz CQAMGOOGYZYQDR-XCBNKYQSSA-N 0 3 310.282 2.713 40 0 DFABHN CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H](N(C)C)C1 ZINC000195576235 426540453 /nfs/dbraw/zinc/54/04/53/426540453.db2.gz BNHHTMDUPOEXFU-KGLIPLIRSA-N 0 3 310.463 2.765 40 0 DFABHN O=C(NCCN1CCCCC1)c1ccc2nc(Cl)oc2c1 ZINC000225975596 426616057 /nfs/dbraw/zinc/61/60/57/426616057.db2.gz VYXBFNVHPXSRBG-UHFFFAOYSA-N 0 3 307.781 2.697 40 0 DFABHN Cc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)s1 ZINC000248078781 426978410 /nfs/dbraw/zinc/97/84/10/426978410.db2.gz HZYCGVSHOGVBGK-JKSUJKDBSA-N 0 3 306.475 2.742 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@@H]12 ZINC000248114198 426980561 /nfs/dbraw/zinc/98/05/61/426980561.db2.gz IDOZTHVDEJBFEB-MJGOQNOKSA-N 0 3 310.397 2.768 40 0 DFABHN COC[C@H]1CCN(C)C2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC000248121835 426980822 /nfs/dbraw/zinc/98/08/22/426980822.db2.gz KLIRODOINUSJPX-HNNXBMFYSA-N 0 3 313.445 2.711 40 0 DFABHN Cc1nc(N[C@H](C)CO)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329011395 427023625 /nfs/dbraw/zinc/02/36/25/427023625.db2.gz MDZVXQPKHYPWRG-CHWSQXEVSA-N 0 3 312.417 2.529 40 0 DFABHN COc1cccc(CCNCc2cc(C(F)(F)F)nn2C)c1 ZINC000256052517 427304503 /nfs/dbraw/zinc/30/45/03/427304503.db2.gz NQNKWYYIPKRPSX-UHFFFAOYSA-N 0 3 313.323 2.780 40 0 DFABHN CC(C)N1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257203070 427308916 /nfs/dbraw/zinc/30/89/16/427308916.db2.gz AOOJTDQZFDJGNI-SNVBAGLBSA-N 0 3 313.327 2.731 40 0 DFABHN O=C1CCC[C@]2(CN(Cc3ccncc3)C[C@H]2c2ccccc2)N1 ZINC000257203142 427308927 /nfs/dbraw/zinc/30/89/27/427308927.db2.gz AOVUDWPHLJLSMG-AZUAARDMSA-N 0 3 321.424 2.720 40 0 DFABHN COc1cc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)ccc1F ZINC000257211531 427309256 /nfs/dbraw/zinc/30/92/56/427309256.db2.gz BZFXQCKYFFXOSZ-WMZOPIPTSA-N 0 3 320.408 2.858 40 0 DFABHN CNc1nccnc1C[C@H]1CCCN(Cc2ccncc2C)C1 ZINC000257208537 427310336 /nfs/dbraw/zinc/31/03/36/427310336.db2.gz BMNYXRMRRQRHMT-OAHLLOKOSA-N 0 3 311.433 2.676 40 0 DFABHN Cc1ncc2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n21 ZINC000257214398 427312544 /nfs/dbraw/zinc/31/25/44/427312544.db2.gz CLVKCFVEZZWTSO-MRXNPFEDSA-N 0 3 307.401 2.812 40 0 DFABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NCC2CC2)CC1 ZINC000257214542 427313203 /nfs/dbraw/zinc/31/32/03/427313203.db2.gz CMJSWHREEIUCDZ-UHFFFAOYSA-N 0 3 304.409 2.606 40 0 DFABHN Fc1cccc(C[C@@H]2CC3(CN(C4CCOCC4)C3)CO2)c1 ZINC000257219434 427314402 /nfs/dbraw/zinc/31/44/02/427314402.db2.gz DGTGWHWROOBJFR-QGZVFWFLSA-N 0 3 305.393 2.638 40 0 DFABHN Cc1ccc(CNC(=O)c2ccccc2-n2cc(CN)cn2)cc1 ZINC000257227099 427317142 /nfs/dbraw/zinc/31/71/42/427317142.db2.gz FNQKRUZFDPCANE-UHFFFAOYSA-N 0 3 320.396 2.569 40 0 DFABHN COc1cccc(CN2CCC[C@H](Cc3nccnc3N)C2)c1 ZINC000257256976 427325914 /nfs/dbraw/zinc/32/59/14/427325914.db2.gz KNPGJHZEOUXRMP-OAHLLOKOSA-N 0 3 312.417 2.522 40 0 DFABHN CC(C)C(=O)N1CCC[C@@]2(CC1)CN(C)Cc1ccccc1O2 ZINC000072394773 277330980 /nfs/dbraw/zinc/33/09/80/277330980.db2.gz HJANMCVGVVULFC-LJQANCHMSA-N 0 3 316.445 2.918 40 0 DFABHN CC[C@H](C)N1C[C@@]2(CCCN(Cc3sc(C)nc3C)C2)C1=O ZINC000585099338 430479482 /nfs/dbraw/zinc/47/94/82/430479482.db2.gz GJDAGIVCRQVCFU-SJCJKPOMSA-N 0 3 321.490 2.983 40 0 DFABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cscn3)C2)n1 ZINC000072385712 280537192 /nfs/dbraw/zinc/53/71/92/280537192.db2.gz IFRXEIWIURESHZ-LBPRGKRZSA-N 0 3 316.430 2.542 40 0 DFABHN c1csc(CN2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)c1 ZINC000306142936 534521886 /nfs/dbraw/zinc/52/18/86/534521886.db2.gz XOQQOLJEZGSUMQ-NUEKZKHPSA-N 0 3 315.442 2.702 40 0 DFABHN COc1cccc([C@@H](C)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000079434352 185171510 /nfs/dbraw/zinc/17/15/10/185171510.db2.gz UZTDUOPAVXIZCE-IAGOWNOFSA-N 0 3 318.461 2.800 40 0 DFABHN Cc1ccc(C(=O)NC2CCN(CCOC(C)C)CC2)cc1C ZINC000081996448 192352599 /nfs/dbraw/zinc/35/25/99/192352599.db2.gz MWTNRDFSFMEGMD-UHFFFAOYSA-N 0 3 318.461 2.923 40 0 DFABHN CO[C@H]1CCN(Cc2cnc[nH]2)C[C@H]1Cc1cccc(F)c1 ZINC000585275193 398438656 /nfs/dbraw/zinc/43/86/56/398438656.db2.gz ZQFUSEXGAIKJGG-PBHICJAKSA-N 0 3 303.381 2.628 40 0 DFABHN O[C@@]1(COc2cccc(F)c2)COCCN(C2CCCCC2)C1 ZINC000585275865 398438681 /nfs/dbraw/zinc/43/86/81/398438681.db2.gz KIMMJOLYQHPSAW-GOSISDBHSA-N 0 3 323.408 2.601 40 0 DFABHN CO[C@@H]1CCN(Cc2cnc[nH]2)C[C@H]1Cc1cccc(F)c1 ZINC000585275194 398438724 /nfs/dbraw/zinc/43/87/24/398438724.db2.gz ZQFUSEXGAIKJGG-RHSMWYFYSA-N 0 3 303.381 2.628 40 0 DFABHN COC(=O)Nc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000585140743 398436143 /nfs/dbraw/zinc/43/61/43/398436143.db2.gz JCVPUVPHCSKMFZ-INIZCTEOSA-N 0 3 319.405 2.530 40 0 DFABHN CN(C)C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034338885 398548366 /nfs/dbraw/zinc/54/83/66/398548366.db2.gz NJTVUDGJKBDXLV-NRFANRHFSA-N 0 3 323.484 2.935 40 0 DFABHN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000080471759 192159725 /nfs/dbraw/zinc/15/97/25/192159725.db2.gz USVSUEOJGWGVLV-QWHCGFSZSA-N 0 3 323.412 2.631 40 0 DFABHN CN(c1ccccc1CNCc1cccnc1)C1CCN(C)CC1 ZINC000083877540 192389277 /nfs/dbraw/zinc/38/92/77/192389277.db2.gz ZHDJEWGMSUFYSM-UHFFFAOYSA-N 0 3 324.472 2.902 40 0 DFABHN CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225611033 186283337 /nfs/dbraw/zinc/28/33/37/186283337.db2.gz PBFYPJDUDDCZRP-QGZVFWFLSA-N 0 3 308.422 2.771 40 0 DFABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000072324767 191123046 /nfs/dbraw/zinc/12/30/46/191123046.db2.gz JGUNZNOVQQBWJF-CYZMBNFOSA-N 0 3 315.244 2.633 40 0 DFABHN OCCN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359286 191129743 /nfs/dbraw/zinc/12/97/43/191129743.db2.gz AENDGNZKYDMGKB-CQSZACIVSA-N 0 3 317.820 2.969 40 0 DFABHN Cc1ccc(N2C(=O)C[C@@H](N[C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000005103016 181203773 /nfs/dbraw/zinc/20/37/73/181203773.db2.gz YZOPMRBEEJYGBQ-CWRNSKLLSA-N 0 3 300.402 2.795 40 0 DFABHN CC(C)/C=C/[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000005715251 181276199 /nfs/dbraw/zinc/27/61/99/181276199.db2.gz PZSSHNWVJGSMGY-FFRPFHMCSA-N 0 3 321.461 2.757 40 0 DFABHN Cc1cn2c(CN[C@H](C)[C@@H](C)n3cccn3)c(C)nc2s1 ZINC000078789708 398987300 /nfs/dbraw/zinc/98/73/00/398987300.db2.gz QXXBAEDLZBCSAC-DGCLKSJQSA-N 0 3 303.435 2.948 40 0 DFABHN Cc1cc(N(C)C)cc([C@H]2CCN(Cc3cncs3)C2)n1 ZINC000257299439 203022202 /nfs/dbraw/zinc/02/22/02/203022202.db2.gz RQBZMHALXGKVHQ-ZDUSSCGKSA-N 0 3 302.447 2.902 40 0 DFABHN CCOc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2O ZINC000257298829 203022470 /nfs/dbraw/zinc/02/24/70/203022470.db2.gz RNKYUELJIHXQQZ-KRWDZBQOSA-N 0 3 305.418 2.591 40 0 DFABHN Fc1ccc(OCCN2CCC[C@H](c3cnccn3)C2)cc1 ZINC000257299666 203023532 /nfs/dbraw/zinc/02/35/32/203023532.db2.gz RRABZKMRGWKEAX-AWEZNQCLSA-N 0 3 301.365 2.874 40 0 DFABHN COCCN1C(=O)CCC[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000257307591 203031426 /nfs/dbraw/zinc/03/14/26/203031426.db2.gz SZJKMZXNXLGCFR-JKSUJKDBSA-N 0 3 322.474 2.598 40 0 DFABHN Cc1ccc(CN2CCOC[C@H](Cc3cnccn3)C2)s1 ZINC000257334815 203055623 /nfs/dbraw/zinc/05/56/23/203055623.db2.gz YHMHUHRXQFNXDV-CQSZACIVSA-N 0 3 303.431 2.538 40 0 DFABHN CCCCc1nc(CN2CC[C@@H](c3nc(C)cn3C)C2)c[nH]1 ZINC000257342553 203064599 /nfs/dbraw/zinc/06/45/99/203064599.db2.gz ZPESOBZXRXJNNV-CQSZACIVSA-N 0 3 301.438 2.784 40 0 DFABHN CCCCc1ncc(CN2CC[C@@H](c3nc(C)cn3C)C2)[nH]1 ZINC000257342553 203064602 /nfs/dbraw/zinc/06/46/02/203064602.db2.gz ZPESOBZXRXJNNV-CQSZACIVSA-N 0 3 301.438 2.784 40 0 DFABHN Fc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019293896 182113838 /nfs/dbraw/zinc/11/38/38/182113838.db2.gz QRLPSYUQCRKAFM-QGZVFWFLSA-N 0 3 312.392 2.599 40 0 DFABHN O[C@H]1CCCN(Cc2c3ncccc3[nH]c2-c2cccnc2)C1 ZINC000019717975 182137448 /nfs/dbraw/zinc/13/74/48/182137448.db2.gz UEBXABJLWKFYCX-AWEZNQCLSA-N 0 3 308.385 2.582 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000021012831 182260166 /nfs/dbraw/zinc/26/01/66/182260166.db2.gz NWNZLOQCRSEDSQ-WDMOLILDSA-N 0 3 302.340 2.814 40 0 DFABHN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCN(C)C ZINC000038757259 183009124 /nfs/dbraw/zinc/00/91/24/183009124.db2.gz KVQJUCZCPMFROM-MRXNPFEDSA-N 0 3 300.402 2.675 40 0 DFABHN C[C@@H](NC1(CNC(=O)[C@H]2C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000110591356 194340427 /nfs/dbraw/zinc/34/04/27/194340427.db2.gz SYOBOMBPOZRWFH-UXLLHSPISA-N 0 3 316.445 2.659 40 0 DFABHN Cc1nc(-c2ccccc2)c(CC(=O)N(C)CCN(C)C)s1 ZINC000012238190 542420107 /nfs/dbraw/zinc/42/01/07/542420107.db2.gz DTKNKRFKNDVCLT-UHFFFAOYSA-N 0 3 317.458 2.681 40 0 DFABHN CCCCN1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216588 257124799 /nfs/dbraw/zinc/12/47/99/257124799.db2.gz RNROYLRIJJUMSG-KRWDZBQOSA-N 0 3 302.466 2.770 40 0 DFABHN CCOc1cc(-c2nc([C@H](N)c3ccccc3)n[nH]2)ccc1OC ZINC000095533490 257137322 /nfs/dbraw/zinc/13/73/22/257137322.db2.gz XAMIRCFLMWZGOL-MRXNPFEDSA-N 0 3 324.384 2.927 40 0 DFABHN COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc32)cc1O ZINC000000896218 425572851 /nfs/dbraw/zinc/57/28/51/425572851.db2.gz FVEMXQCEJGGXJB-AWEZNQCLSA-N 0 3 315.369 2.545 40 0 biogenic,in-vitro DFABHN C[C@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@@H]1O ZINC000012148139 425719702 /nfs/dbraw/zinc/71/97/02/425719702.db2.gz OSQMEDIKTBFXHM-YJBOKZPZSA-N 0 3 312.413 2.863 40 0 DFABHN Cc1cc(C)n(CCNCc2cc(-c3ccccc3)c[nH]c2=O)n1 ZINC000012184801 425722133 /nfs/dbraw/zinc/72/21/33/425722133.db2.gz PJFYBBKWENKLQG-UHFFFAOYSA-N 0 3 322.412 2.645 40 0 DFABHN Cc1ccc2occ(CN3C[C@@H]4CCCN4C[C@H]3C)c(=O)c2c1 ZINC000019219813 425790454 /nfs/dbraw/zinc/79/04/54/425790454.db2.gz PVKHVPQESLXAED-ZBFHGGJFSA-N 0 3 312.413 2.770 40 0 DFABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)o1 ZINC000107731367 426002431 /nfs/dbraw/zinc/00/24/31/426002431.db2.gz HNFKQICETYNKQX-NVXWUHKLSA-N 0 3 301.390 2.781 40 0 DFABHN c1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)nc1 ZINC000107751999 426002523 /nfs/dbraw/zinc/00/25/23/426002523.db2.gz OUSDVTDCLSEYJO-MOPGFXCFSA-N 0 3 316.445 2.879 40 0 DFABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccsc1)CC2 ZINC000108535969 426017567 /nfs/dbraw/zinc/01/75/67/426017567.db2.gz PDXDIMUZKPFHFV-UHFFFAOYSA-N 0 3 307.463 2.764 40 0 DFABHN C[C@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccc(F)cc1F ZINC000078757740 426185267 /nfs/dbraw/zinc/18/52/67/426185267.db2.gz CMEVCXDRLGKBNY-AAEUAGOBSA-N 0 3 311.376 2.761 40 0 DFABHN COC(=O)c1cc(F)ccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000083895642 426231159 /nfs/dbraw/zinc/23/11/59/426231159.db2.gz KTQILCGVDYORNB-LBPRGKRZSA-N 0 3 307.365 2.613 40 0 DFABHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CC=CC1 ZINC000086246408 426257142 /nfs/dbraw/zinc/25/71/42/426257142.db2.gz HPQDIDLBHGSJEV-UHFFFAOYSA-N 0 3 300.402 2.548 40 0 DFABHN c1coc(CN2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)c1 ZINC000096058340 426394178 /nfs/dbraw/zinc/39/41/78/426394178.db2.gz ABGIIPHSDQTBPD-UFYCRDLUSA-N 0 3 324.424 2.882 40 0 DFABHN c1cc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)cs1 ZINC000096059740 426395147 /nfs/dbraw/zinc/39/51/47/426395147.db2.gz BUBYIZOLBDFGSR-OAHLLOKOSA-N 0 3 303.431 2.758 40 0 DFABHN CCO[C@H]1COC2(C1)CCN(Cc1cccc(OC)c1)CC2 ZINC000096106572 426397266 /nfs/dbraw/zinc/39/72/66/426397266.db2.gz FQWJMWFYKDOTOK-QGZVFWFLSA-N 0 3 305.418 2.855 40 0 DFABHN c1cc(CN2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)co1 ZINC000096106955 426397281 /nfs/dbraw/zinc/39/72/81/426397281.db2.gz BBTGITVNXGQZMJ-INIZCTEOSA-N 0 3 314.385 2.877 40 0 DFABHN CN(Cc1ccccn1)C1CC2(C1)CCN(c1ncccn1)CC2 ZINC000096159263 426403686 /nfs/dbraw/zinc/40/36/86/426403686.db2.gz DBXQZZLCZJDXOR-UHFFFAOYSA-N 0 3 323.444 2.753 40 0 DFABHN CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC000096182932 426404721 /nfs/dbraw/zinc/40/47/21/426404721.db2.gz NLUOXVUOTHFFIG-FGTMMUONSA-N 0 3 313.445 2.551 40 0 DFABHN Cn1cccc1CN1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202751 426406308 /nfs/dbraw/zinc/40/63/08/426406308.db2.gz WQVGSFAIUUNTTR-UHFFFAOYSA-N 0 3 301.459 2.795 40 0 DFABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2)cn1 ZINC000096046971 426390587 /nfs/dbraw/zinc/39/05/87/426390587.db2.gz QXNPJKWVFSUOSX-SFHVURJKSA-N 0 3 314.433 2.501 40 0 DFABHN COCCN1C(=O)CC[C@]12CCCN(Cc1cccs1)CC2 ZINC000096047513 426391376 /nfs/dbraw/zinc/39/13/76/426391376.db2.gz INMDYYABJYAFOP-KRWDZBQOSA-N 0 3 322.474 2.742 40 0 DFABHN Cc1ccc(CN2CCC3(CCN(CC4CC4)C3=O)CC2)o1 ZINC000096046875 426391606 /nfs/dbraw/zinc/39/16/06/426391606.db2.gz SIIGRYFBNFPOSM-UHFFFAOYSA-N 0 3 302.418 2.813 40 0 DFABHN Fc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)cc1 ZINC000096048917 426392405 /nfs/dbraw/zinc/39/24/05/426392405.db2.gz DELMDVSYXMYRRK-UHFFFAOYSA-N 0 3 318.436 2.903 40 0 DFABHN Cc1ccc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)o1 ZINC000096048554 426393157 /nfs/dbraw/zinc/39/31/57/426393157.db2.gz HNFKQICETYNKQX-RDJZCZTQSA-N 0 3 301.390 2.781 40 0 DFABHN O=C1CC[C@]2(CCCN(Cc3ccccn3)CC2)N1CC1CC1 ZINC000096217950 426408294 /nfs/dbraw/zinc/40/82/94/426408294.db2.gz RTSLPYMKEHRHKN-IBGZPJMESA-N 0 3 313.445 2.839 40 0 DFABHN Cc1cnc(N2CC[C@]3(CCCN3Cc3cccc(C)n3)C2)nc1 ZINC000096203077 426408312 /nfs/dbraw/zinc/40/83/12/426408312.db2.gz NQXYRTBINYAEET-LJQANCHMSA-N 0 3 323.444 2.733 40 0 DFABHN Cc1cccc(COC[C@H]2C[C@H]3OCCN(CC4CC4)[C@@H]3C2)n1 ZINC000096250758 426411295 /nfs/dbraw/zinc/41/12/95/426411295.db2.gz FMASDQQWZQSGBS-BHIYHBOVSA-N 0 3 316.445 2.796 40 0 DFABHN CCN(C)c1ncnc2c1CCN(Cc1ccsc1)CC2 ZINC000096255797 426411736 /nfs/dbraw/zinc/41/17/36/426411736.db2.gz SNVVFEJVRTUOFN-UHFFFAOYSA-N 0 3 302.447 2.595 40 0 DFABHN CC(C)(C)[C@H](N)C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000195543306 426538658 /nfs/dbraw/zinc/53/86/58/426538658.db2.gz LJHKHSQDJILAFU-QGZVFWFLSA-N 0 3 318.461 2.610 40 0 DFABHN CC[C@H](NC(=O)CNC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000195543165 426539125 /nfs/dbraw/zinc/53/91/25/426539125.db2.gz PVDHNIGGTGRMNV-CABCVRRESA-N 0 3 310.825 2.676 40 0 DFABHN O=C(NCCN1CCCCC1)c1ccc2oc(Cl)nc2c1 ZINC000225975576 426615966 /nfs/dbraw/zinc/61/59/66/426615966.db2.gz UVKOLALXRXUHAB-UHFFFAOYSA-N 0 3 307.781 2.697 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccccn3)C[C@@H]12 ZINC000248159011 426985092 /nfs/dbraw/zinc/98/50/92/426985092.db2.gz WSNXICDFMOEBDU-WOJBJXKFSA-N 0 3 307.441 2.929 40 0 DFABHN C[C@@H]1c2ccccc2CCN1c1ccnc(NCCN(C)C)n1 ZINC000328990962 427021461 /nfs/dbraw/zinc/02/14/61/427021461.db2.gz IQULZVZMGHDVAN-CQSZACIVSA-N 0 3 311.433 2.574 40 0 DFABHN c1ccc(NCC[C@@H]2CCOC23CN(C2CCCC2)C3)nc1 ZINC000253596035 427217671 /nfs/dbraw/zinc/21/76/71/427217671.db2.gz MJYNHEBYDSHDSW-OAHLLOKOSA-N 0 3 301.434 2.917 40 0 DFABHN CC(=O)N1CCC[C@@H]1c1cncc(CN(C)C2CCCC2)n1 ZINC000257207029 427311263 /nfs/dbraw/zinc/31/12/63/427311263.db2.gz BGBCCWZGGRBFRM-QGZVFWFLSA-N 0 3 302.422 2.534 40 0 DFABHN CCN1CCOC[C@@H](Cc2ccc3c(ccn3C(C)=O)c2)C1 ZINC000257254178 427326065 /nfs/dbraw/zinc/32/60/65/427326065.db2.gz KCAWDDUWPMCWIG-INIZCTEOSA-N 0 3 300.402 2.812 40 0 DFABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)COCC1CC1 ZINC000078804905 281099056 /nfs/dbraw/zinc/09/90/56/281099056.db2.gz NDYGYTZHRUEFPX-WMZOPIPTSA-N 0 3 314.429 2.556 40 0 DFABHN COc1ccc2c(c1O)[C@@]1(CCN(C)C)CC(=O)CC[C@@H]1C=C2 ZINC000001721262 295277702 /nfs/dbraw/zinc/27/77/02/295277702.db2.gz ZWNYBWZHYOGFEA-LIRRHRJNSA-N 0 3 315.413 2.986 40 0 DFABHN Cc1cc(C)n([C@@H](C)CC(=O)NC[C@H](C)N2CCC(C)CC2)n1 ZINC000019573059 301247218 /nfs/dbraw/zinc/24/72/18/301247218.db2.gz MMZFLIRCMSJTHH-IRXDYDNUSA-N 0 3 320.481 2.688 40 0 DFABHN O=C(CNC[C@@H]1CCCO1)Nc1ccc(OC2CCCC2)cc1 ZINC000195543146 323284109 /nfs/dbraw/zinc/28/41/09/323284109.db2.gz GVWZGHONWUJJNL-KRWDZBQOSA-N 0 3 318.417 2.715 40 0 DFABHN Cc1ccccc1[C@@H]1CN(C(=O)C[C@H](N)c2ccccc2)CCO1 ZINC000195544223 323284590 /nfs/dbraw/zinc/28/45/90/323284590.db2.gz OHHMJDCKBIBCHD-OALUTQOASA-N 0 3 324.424 2.985 40 0 DFABHN C/C(=C\c1ccccc1)CNCc1cccnc1-n1cncn1 ZINC000078979827 185139525 /nfs/dbraw/zinc/13/95/25/185139525.db2.gz UTNIAJVUWZJHSR-XNTDXEJSSA-N 0 3 305.385 2.855 40 0 DFABHN CCCC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000079096390 185157430 /nfs/dbraw/zinc/15/74/30/185157430.db2.gz LXXOXZYEDXTHET-OAHLLOKOSA-N 0 3 304.434 2.803 40 0 DFABHN C[C@H](c1cccnc1)N(C)C[C@H](O)COCc1ccccc1 ZINC000079311529 185164557 /nfs/dbraw/zinc/16/45/57/185164557.db2.gz FFJQATJQARTNOE-QAPCUYQASA-N 0 3 300.402 2.652 40 0 DFABHN COc1cccc([C@H](C)N2CCC(N3CCCC3=O)CC2)c1 ZINC000079415059 185170399 /nfs/dbraw/zinc/17/03/99/185170399.db2.gz VPVYMECUSIYQLZ-AWEZNQCLSA-N 0 3 302.418 2.843 40 0 DFABHN CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1csc(C2CC2)n1 ZINC000084736411 398407400 /nfs/dbraw/zinc/40/74/00/398407400.db2.gz NAGSSPVGADPGBU-WFASDCNBSA-N 0 3 307.463 2.757 40 0 DFABHN CC(C)CCN1CCC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000585101207 398432009 /nfs/dbraw/zinc/43/20/09/398432009.db2.gz NQYFQHONQCYMQD-QGZVFWFLSA-N 0 3 309.454 2.510 40 0 DFABHN CN1CC[C@H](COc2ccccn2)CC12CN(C1CCCC1)C2 ZINC000585102586 398432097 /nfs/dbraw/zinc/43/20/97/398432097.db2.gz BASDIDUFPVOYTN-INIZCTEOSA-N 0 3 315.461 2.799 40 0 DFABHN OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccccc1Cl ZINC000585292149 398439395 /nfs/dbraw/zinc/43/93/95/398439395.db2.gz FIMLDMQPAXGHBF-KBAYOESNSA-N 0 3 317.816 2.661 40 0 DFABHN Cc1ccccc1O[C@@H]1CCC[C@H](NCc2ccncc2)[C@H]1O ZINC000585289724 398439574 /nfs/dbraw/zinc/43/95/74/398439574.db2.gz 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/nfs/dbraw/zinc/01/61/55/203016155.db2.gz QDALUEBKYJXOQO-DVBCCOPCSA-N 0 3 323.396 2.586 40 0 DFABHN CN1CCC[C@H](c2cncc(C(=O)NCC3CCCCC3)n2)C1 ZINC000257329003 203053460 /nfs/dbraw/zinc/05/34/60/203053460.db2.gz XHYVYDDCLQGCRM-HNNXBMFYSA-N 0 3 316.449 2.596 40 0 DFABHN COc1ccccc1CN1CCC[C@H](Cc2nccnc2N)C1 ZINC000257339962 203062222 /nfs/dbraw/zinc/06/22/22/203062222.db2.gz ZDXUPLYQMVKWEI-CQSZACIVSA-N 0 3 312.417 2.522 40 0 DFABHN C[C@@H]1CN([C@@H](CN)c2ccccc2Br)C[C@@H](C)O1 ZINC000019422080 182122568 /nfs/dbraw/zinc/12/25/68/182122568.db2.gz DGRKQZVTLWFUKF-GYSYKLTISA-N 0 3 313.239 2.558 40 0 DFABHN CN(C)CCN(Cc1ccncc1)Cc1ccc(F)cc1F ZINC000022913804 182339969 /nfs/dbraw/zinc/33/99/69/182339969.db2.gz SBVFYDIEVXZGGO-UHFFFAOYSA-N 0 3 305.372 2.924 40 0 DFABHN O=C(NC1CC1)[C@H]1CCCN(CCc2ccccc2Cl)C1 ZINC000084504575 542510804 /nfs/dbraw/zinc/51/08/04/542510804.db2.gz RDQLLCKCRNRNRX-AWEZNQCLSA-N 0 3 306.837 2.873 40 0 DFABHN CC(C)N1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072225621 257123576 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CCO[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000195530584 201399824 /nfs/dbraw/zinc/39/98/24/201399824.db2.gz XHCIKJMJOQMBAX-LZLYRXPVSA-N 0 3 318.461 2.923 40 0 DFABHN COc1ccc(Cl)cc1C(=O)NCCN1CCCCCC1 ZINC000225037651 201684034 /nfs/dbraw/zinc/68/40/34/201684034.db2.gz BJRAVVCYMKXOFJ-UHFFFAOYSA-N 0 3 310.825 2.954 40 0 DFABHN C[C@@H](NC(=O)c1ccccc1-n1cc(CN)cn1)c1ccccc1 ZINC000257307745 203032601 /nfs/dbraw/zinc/03/26/01/203032601.db2.gz TTXJBYBGGGTPBV-CQSZACIVSA-N 0 3 320.396 2.822 40 0 DFABHN O[C@@H]1CCCOC12CCN(Cc1ccc3[nH]ccc3c1)CC2 ZINC000257278812 203006576 /nfs/dbraw/zinc/00/65/76/203006576.db2.gz ODTPONCZSRHAPJ-QGZVFWFLSA-N 0 3 300.402 2.674 40 0 DFABHN CNc1nccnc1C[C@H]1CCCN(Cc2scnc2C)C1 ZINC000257320715 203044925 /nfs/dbraw/zinc/04/49/25/203044925.db2.gz VYFIQYSEVSDFJW-CYBMUJFWSA-N 0 3 317.462 2.738 40 0 DFABHN CNc1ncccc1CN1CCC(c2ccnc3ccnn32)CC1 ZINC000257326885 203049976 /nfs/dbraw/zinc/04/99/76/203049976.db2.gz WYZXCHMWUQVCOP-UHFFFAOYSA-N 0 3 322.416 2.546 40 0 DFABHN CCN1C(=O)CC[C@@H]2N(Cc3cccnc3)CCCC[C@@]21C ZINC000257337371 203059308 /nfs/dbraw/zinc/05/93/08/203059308.db2.gz YSMZWBFPPVNHNO-WMZOPIPTSA-N 0 3 301.434 2.837 40 0 DFABHN C[C@@H]1C[C@@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 ZINC000079953431 399099637 /nfs/dbraw/zinc/09/96/37/399099637.db2.gz OVVNCKWHYWMQLW-WBVHZDCISA-N 0 3 314.429 2.850 40 0 DFABHN CNc1cc([C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)ccn1 ZINC000257339750 203062800 /nfs/dbraw/zinc/06/28/00/203062800.db2.gz ZDANEQYRPZHAHO-MRXNPFEDSA-N 0 3 313.449 2.853 40 0 DFABHN COC[C@@H]1CC2(CO1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096105754 193538879 /nfs/dbraw/zinc/53/88/79/193538879.db2.gz XFSULWRNZQVWQY-KRWDZBQOSA-N 0 3 305.418 2.713 40 0 DFABHN C[C@H](CO)CN[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553509 399185668 /nfs/dbraw/zinc/18/56/68/399185668.db2.gz QLCWONAOFXJIHH-UWVGGRQHSA-N 0 3 315.339 2.871 40 0 DFABHN O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1 ZINC000019372608 182120907 /nfs/dbraw/zinc/12/09/07/182120907.db2.gz RQCZVUNGZDNNME-AZUAARDMSA-N 0 3 321.424 2.720 40 0 DFABHN COc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1OC ZINC000019561007 182130425 /nfs/dbraw/zinc/13/04/25/182130425.db2.gz BKIAIVYJUSRCMP-HNNXBMFYSA-N 0 3 313.401 2.873 40 0 DFABHN Cc1cc(N(C)C)cc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000019570088 182131605 /nfs/dbraw/zinc/13/16/05/182131605.db2.gz VVEBGHLUWRZRSB-HNNXBMFYSA-N 0 3 301.434 2.962 40 0 DFABHN CN(C)CCN(Cc1ccncc1)Cc1ccc(F)c(F)c1 ZINC000022913810 182340316 /nfs/dbraw/zinc/34/03/16/182340316.db2.gz CBOAWIFTJGMPEW-UHFFFAOYSA-N 0 3 305.372 2.924 40 0 DFABHN c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)ccn1 ZINC000107752015 194255941 /nfs/dbraw/zinc/25/59/41/194255941.db2.gz DUKHZAFUFCEBLM-MOPGFXCFSA-N 0 3 316.445 2.879 40 0 DFABHN CN1CCC(NC(=O)COc2ccccc2C(C)(C)C)CC1 ZINC000061031811 184160155 /nfs/dbraw/zinc/16/01/55/184160155.db2.gz KZOWKAIYHLQWHQ-UHFFFAOYSA-N 0 3 304.434 2.573 40 0 DFABHN Cc1cc(=O)c(O)c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1C ZINC000062386931 184233589 /nfs/dbraw/zinc/23/35/89/184233589.db2.gz TVFLESFYAKPJHF-UGSOOPFHSA-N 0 3 304.434 2.800 40 0 DFABHN Cc1nn(C)c(Cl)c1CNCCCN1CCc2ccccc21 ZINC000084012399 542505051 /nfs/dbraw/zinc/50/50/51/542505051.db2.gz MFFKFPKXTMSMSV-UHFFFAOYSA-N 0 3 318.852 2.924 40 0 DFABHN CCc1ncc(CNCCOc2ccc3c(c2)OCO3)s1 ZINC000084016734 542505358 /nfs/dbraw/zinc/50/53/58/542505358.db2.gz WLRBLLRXCCJLSY-UHFFFAOYSA-N 0 3 306.387 2.603 40 0 DFABHN Cc1[nH]c2ccc(C)cc2c1CC(=O)NC[C@H](C)N1CCCC1 ZINC000084208076 542506940 /nfs/dbraw/zinc/50/69/40/542506940.db2.gz POOGOBKHPJPLKU-AWEZNQCLSA-N 0 3 313.445 2.928 40 0 DFABHN CC(C)Oc1ncccc1CN[C@H]1CCN(CC(F)(F)F)C1 ZINC000084621958 542513169 /nfs/dbraw/zinc/51/31/69/542513169.db2.gz OACYQTFXQYHOOY-ZDUSSCGKSA-N 0 3 317.355 2.595 40 0 DFABHN O[C@@H]1Cc2ccccc2[C@H]1NCc1ccc(-n2ccnc2)cc1 ZINC000085333867 542515834 /nfs/dbraw/zinc/51/58/34/542515834.db2.gz DTVIGIGNFDKWOK-RTBURBONSA-N 0 3 305.381 2.620 40 0 DFABHN CC[C@](CO)(NCc1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000085325077 542515890 /nfs/dbraw/zinc/51/58/90/542515890.db2.gz ATRIFICXLGXVIU-GCJKJVERSA-N 0 3 317.454 2.811 40 0 DFABHN CCOc1ccc([C@@H](N)c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095534305 257136803 /nfs/dbraw/zinc/13/68/03/257136803.db2.gz XRYMGAWJJDXTJI-CYBMUJFWSA-N 0 3 304.394 2.558 40 0 DFABHN CCOc1ccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OC ZINC000095534305 257136804 /nfs/dbraw/zinc/13/68/04/257136804.db2.gz XRYMGAWJJDXTJI-CYBMUJFWSA-N 0 3 304.394 2.558 40 0 DFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1OC ZINC000095533884 257137895 /nfs/dbraw/zinc/13/78/95/257137895.db2.gz SLJRNQKVOIIBED-MRXNPFEDSA-N 0 3 324.384 2.845 40 0 DFABHN C[C@H]1CN(Cc2ccccc2OCc2ccccn2)CC[C@H]1O ZINC000250077567 257214142 /nfs/dbraw/zinc/21/41/42/257214142.db2.gz OSQMEDIKTBFXHM-MAUKXSAKSA-N 0 3 312.413 2.863 40 0 DFABHN CC(C)(C)n1cc(CN[C@H]2CCC[C@@H]2Cc2ccccn2)nn1 ZINC000585093584 543460120 /nfs/dbraw/zinc/46/01/20/543460120.db2.gz GKDSWYPPHWNTHK-PBHICJAKSA-N 0 3 313.449 2.929 40 0 DFABHN Cc1cc(NC(=S)NCCN(C)C)ccc1Br ZINC000007528508 425646319 /nfs/dbraw/zinc/64/63/19/425646319.db2.gz FTESRKFRNZTFCR-UHFFFAOYSA-N 0 3 316.268 2.606 40 0 DFABHN CCc1cccc2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c21 ZINC000012238117 425722140 /nfs/dbraw/zinc/72/21/40/425722140.db2.gz KMLHCSMFSAVPBZ-UHFFFAOYSA-N 0 3 301.434 2.601 40 0 DFABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1ccc(OC)c(C)c1 ZINC000012363000 425722888 /nfs/dbraw/zinc/72/28/88/425722888.db2.gz OOHCHJPHYQFOST-KRWDZBQOSA-N 0 3 318.461 2.927 40 0 DFABHN Cc1ccc(CNCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000013998414 425764310 /nfs/dbraw/zinc/76/43/10/425764310.db2.gz BRMHKMNKUBKJAU-UHFFFAOYSA-N 0 3 322.364 2.855 40 0 DFABHN C[C@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000036697372 425846303 /nfs/dbraw/zinc/84/63/03/425846303.db2.gz RIFUGEVYTBABST-MJVIPROJSA-N 0 3 302.340 2.814 40 0 DFABHN c1ccc(CN2CC[C@]3(C[C@@H](Nc4ccccn4)CO3)C2)cc1 ZINC000107226100 425986187 /nfs/dbraw/zinc/98/61/87/425986187.db2.gz ZFGZXWFEFLNVAI-MJGOQNOKSA-N 0 3 309.413 2.927 40 0 DFABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccccc1F)CC2 ZINC000108524783 426017513 /nfs/dbraw/zinc/01/75/13/426017513.db2.gz BMHRNUSCABJONI-UHFFFAOYSA-N 0 3 319.424 2.842 40 0 DFABHN c1cc(CNC[C@@H]2OCCc3cn(CC4CC4)nc32)cs1 ZINC000096059741 426394718 /nfs/dbraw/zinc/39/47/18/426394718.db2.gz BUBYIZOLBDFGSR-HNNXBMFYSA-N 0 3 303.431 2.758 40 0 DFABHN c1nc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccccn2)c[nH]1 ZINC000096081932 426396793 /nfs/dbraw/zinc/39/67/93/426396793.db2.gz RXVNPBCVVLBBJC-ZMSDIMECSA-N 0 3 311.433 2.765 40 0 DFABHN COC[C@@H]1COCCC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096106260 426397429 /nfs/dbraw/zinc/39/74/29/426397429.db2.gz PHQGLEJWSDOJAV-QGZVFWFLSA-N 0 3 319.445 2.960 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)c3ccncc3)C[C@H]12 ZINC000096100381 426397838 /nfs/dbraw/zinc/39/78/38/426397838.db2.gz CHYJWVKVZYFTJL-ICSRJNTNSA-N 0 3 321.424 2.570 40 0 DFABHN c1ccc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096158042 426402307 /nfs/dbraw/zinc/40/23/07/426402307.db2.gz GRPIMYQFUTXKRC-FQEVSTJZSA-N 0 3 322.456 2.965 40 0 DFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)s1 ZINC000096184879 426404844 /nfs/dbraw/zinc/40/48/44/426404844.db2.gz PCQYONFLEBAUEU-OLZOCXBDSA-N 0 3 306.460 2.761 40 0 DFABHN COc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1OC ZINC000095533452 426374192 /nfs/dbraw/zinc/37/41/92/426374192.db2.gz ZXNDXRSAECYHIE-OAHLLOKOSA-N 0 3 310.357 2.537 40 0 DFABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096038993 426389477 /nfs/dbraw/zinc/38/94/77/426389477.db2.gz ITOPJISNORFFIT-QZTJIDSGSA-N 0 3 305.418 2.713 40 0 DFABHN c1csc(CN2CC3(C2)CCN(Cc2ccsc2)C3)n1 ZINC000096046483 426390235 /nfs/dbraw/zinc/39/02/35/426390235.db2.gz QOAICMZYAZHFHS-UHFFFAOYSA-N 0 3 305.472 2.913 40 0 DFABHN CC(C)NC(=O)C[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048158 426390277 /nfs/dbraw/zinc/39/02/77/426390277.db2.gz RGTQBJWAHBZQGO-OAHLLOKOSA-N 0 3 320.433 2.565 40 0 DFABHN CC(C)CN1CCC2(CCN(Cc3ccccn3)CC2)C1=O ZINC000096046771 426390664 /nfs/dbraw/zinc/39/06/64/426390664.db2.gz DJOWDIOPFVKNKK-UHFFFAOYSA-N 0 3 301.434 2.552 40 0 DFABHN O=C1N(CC2CC2)CCC12CCN(Cc1cccs1)CC2 ZINC000096046871 426390876 /nfs/dbraw/zinc/39/08/76/426390876.db2.gz QZDAUNGNTDOEDI-UHFFFAOYSA-N 0 3 304.459 2.973 40 0 DFABHN c1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)nc1 ZINC000096057005 426392309 /nfs/dbraw/zinc/39/23/09/426392309.db2.gz OUSDVTDCLSEYJO-RTBURBONSA-N 0 3 316.445 2.879 40 0 DFABHN O=C(c1ccco1)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053880 426392762 /nfs/dbraw/zinc/39/27/62/426392762.db2.gz MXGVQKXKPDNNAF-GJZGRUSLSA-N 0 3 314.360 2.623 40 0 DFABHN COc1ccc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)cc1 ZINC000096053590 426393131 /nfs/dbraw/zinc/39/31/31/426393131.db2.gz IXHQRAKIVMRCTJ-VQIMIIECSA-N 0 3 322.408 2.790 40 0 DFABHN Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NC(C)C)O[C@@H]3C2)s1 ZINC000096217576 426407601 /nfs/dbraw/zinc/40/76/01/426407601.db2.gz YYWPIKBOWQHRQU-SQWLQELKSA-N 0 3 322.474 2.561 40 0 DFABHN CCc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)N(C)C)C3)o1 ZINC000096215518 426408240 /nfs/dbraw/zinc/40/82/40/426408240.db2.gz UUBRXIVEFUSTOV-SFHVURJKSA-N 0 3 319.449 2.812 40 0 DFABHN O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1ccoc1)C2 ZINC000096224512 426408873 /nfs/dbraw/zinc/40/88/73/426408873.db2.gz ZAVHULOHDMRTHV-SFHVURJKSA-N 0 3 311.385 2.694 40 0 DFABHN c1cc(CN2CCc3ncnc(C4CC4)c3CC2)cc2c1OCO2 ZINC000096255082 426411060 /nfs/dbraw/zinc/41/10/60/426411060.db2.gz VDAIWCZXRCSYFE-UHFFFAOYSA-N 0 3 323.396 2.684 40 0 DFABHN CC[C@H](C)[C@H](N)C(=O)N1CCC(OCc2ccccc2C)CC1 ZINC000195555014 426538731 /nfs/dbraw/zinc/53/87/31/426538731.db2.gz KVMZUEOXDHJBRC-KSSFIOAISA-N 0 3 318.461 2.876 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3nccs3)C[C@@H]12 ZINC000248136027 426984961 /nfs/dbraw/zinc/98/49/61/426984961.db2.gz OQCHDABNZFQHRS-AEFFLSMTSA-N 0 3 313.470 2.991 40 0 DFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2)cc(C2CC2)n1 ZINC000329045956 427029484 /nfs/dbraw/zinc/02/94/84/427029484.db2.gz TYMSUUUXQLFQPJ-UHFFFAOYSA-N 0 3 315.396 3.210 40 0 DFABHN Cc1ncc2cncc([C@H]3CCCN(Cc4cncs4)C3)n21 ZINC000257199698 427309558 /nfs/dbraw/zinc/30/95/58/427309558.db2.gz AANKKIGKIJMVIO-ZDUSSCGKSA-N 0 3 313.430 2.874 40 0 DFABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cc[nH]n1 ZINC000257235307 427320155 /nfs/dbraw/zinc/32/01/55/427320155.db2.gz GXGMMDZPQMIJPJ-OKZBNKHCSA-N 0 3 324.428 2.850 40 0 DFABHN COc1cccc(F)c1CN1CC[C@H](c2nc(C)cn2C)C1 ZINC000257246929 427321414 /nfs/dbraw/zinc/32/14/14/427321414.db2.gz IWPSIYVDTAHPIR-ZDUSSCGKSA-N 0 3 303.381 2.866 40 0 DFABHN Cc1cnccc1CN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257266236 427327423 /nfs/dbraw/zinc/32/74/23/427327423.db2.gz MCCHYWXYNCMTJO-RTBURBONSA-N 0 3 312.413 2.794 40 0 DFABHN CN1c2ccccc2C2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096063578 273943500 /nfs/dbraw/zinc/94/35/00/273943500.db2.gz XTCGZUCVYSZXBT-UHFFFAOYSA-N 0 3 307.397 2.592 40 0 DFABHN Cc1nc(N[C@H](C)CO)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329011396 293341943 /nfs/dbraw/zinc/34/19/43/293341943.db2.gz MDZVXQPKHYPWRG-OLZOCXBDSA-N 0 3 312.417 2.529 40 0 DFABHN Cn1nccc1C1CCN(CCOc2ccccc2F)CC1 ZINC000195503511 323283428 /nfs/dbraw/zinc/28/34/28/323283428.db2.gz UETQHEFZLJIEJR-UHFFFAOYSA-N 0 3 303.381 2.818 40 0 DFABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCCC[C@H]3C)ccc21 ZINC000248068788 341372993 /nfs/dbraw/zinc/37/29/93/341372993.db2.gz FOLIBANCCVPVAU-RDTXWAMCSA-N 0 3 316.445 2.894 40 0 DFABHN COC(CN1CCN(C)CC1)(c1ccccc1)c1ccccc1 ZINC000019365812 500803616 /nfs/dbraw/zinc/80/36/16/500803616.db2.gz XHTZYGRTOJEXNB-UHFFFAOYSA-N 0 3 310.441 2.824 40 0 DFABHN NCc1cc2cccc(I)c2nc1Cl ZINC000685937044 546411238 /nfs/dbraw/zinc/41/12/38/546411238.db2.gz HUSZUPSCEPXRCL-UHFFFAOYSA-N 0 3 318.545 2.952 40 0 DFABHN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000078900667 185125256 /nfs/dbraw/zinc/12/52/56/185125256.db2.gz LFENINAJDYFKGL-AAEUAGOBSA-N 0 3 316.380 2.588 40 0 DFABHN C[C@@H](CNc1ccnc2c(F)ccc(F)c12)N1CCN(C)CC1 ZINC000078988177 185141045 /nfs/dbraw/zinc/14/10/45/185141045.db2.gz AKKBQRZAWIEPHW-LBPRGKRZSA-N 0 3 320.387 2.561 40 0 DFABHN CC(C)Oc1cccc(CN2CC[C@H]3NC(=O)CCC[C@H]32)c1 ZINC000019713245 398408631 /nfs/dbraw/zinc/40/86/31/398408631.db2.gz XBFCWDILIATALI-IAGOWNOFSA-N 0 3 302.418 2.717 40 0 DFABHN CCN1CC[C@@H](N(C)S(=O)(=O)/C=C/c2ccccc2)C[C@H]1C ZINC000255961036 398426734 /nfs/dbraw/zinc/42/67/34/398426734.db2.gz REFZWWCXCXTUFF-FZDCUMRKSA-N 0 3 322.474 2.792 40 0 DFABHN CCN1C(=O)CC[C@@]12CCCN(Cc1cnc(C)s1)CC2 ZINC000585099947 398431998 /nfs/dbraw/zinc/43/19/98/398431998.db2.gz ASZDDPNIKLONFF-MRXNPFEDSA-N 0 3 307.463 2.819 40 0 DFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccc(C)s3)C2)C1 ZINC000585102693 398432256 /nfs/dbraw/zinc/43/22/56/398432256.db2.gz GKELXRNIWZBUMW-OAHLLOKOSA-N 0 3 308.491 2.989 40 0 DFABHN Cc1ccccc1OC[C@@]1(O)CCN(Cc2ccncc2C)C1 ZINC000585275903 398437887 /nfs/dbraw/zinc/43/78/87/398437887.db2.gz GJZAGMAEKBENCY-LJQANCHMSA-N 0 3 312.413 2.714 40 0 DFABHN Cc1cc(C)c(C)c(OC[C@]2(O)COCCN(C3CCC3)C2)c1 ZINC000585281819 398439348 /nfs/dbraw/zinc/43/93/48/398439348.db2.gz BLVWWXDAJWTNLB-LJQANCHMSA-N 0 3 319.445 2.606 40 0 DFABHN Cc1noc(C)c1CN1CCc2ncnc(-c3ccoc3)c2CC1 ZINC000096255157 282385018 /nfs/dbraw/zinc/38/50/18/282385018.db2.gz SMWJJXDZQQOWMA-UHFFFAOYSA-N 0 3 324.384 2.942 40 0 DFABHN C[C@H](NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1 ZINC000072203957 191076425 /nfs/dbraw/zinc/07/64/25/191076425.db2.gz KAWJOCDWQLGMAB-KBPBESRZSA-N 0 3 320.437 2.774 40 0 DFABHN Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C)C3)nc(C)n2)n1 ZINC000072360109 191130270 /nfs/dbraw/zinc/13/02/70/191130270.db2.gz ZRKNIMJJVAPACZ-CQSZACIVSA-N 0 3 312.421 2.745 40 0 DFABHN COc1cccc(CN2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393822 191149863 /nfs/dbraw/zinc/14/98/63/191149863.db2.gz PWMHUYJKVHLMCR-AWEZNQCLSA-N 0 3 323.400 2.741 40 0 DFABHN COc1ccc(OC[C@H](O)CN2CCCC2)c(C(C)(C)C)c1 ZINC000006306039 181327977 /nfs/dbraw/zinc/32/79/77/181327977.db2.gz UTEIJTKWZBHNHF-CQSZACIVSA-N 0 3 307.434 2.828 40 0 DFABHN C[C@H](CCN1CCN(CC(C)(C)O)[C@H](C)C1)c1ccccc1 ZINC000194819786 201296307 /nfs/dbraw/zinc/29/63/07/201296307.db2.gz 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/nfs/dbraw/zinc/24/65/31/181246531.db2.gz AULPAHOVJMBTLU-HWKANZROSA-N 0 3 313.357 2.888 40 0 DFABHN C[C@H]1[C@@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C ZINC000005464508 181246954 /nfs/dbraw/zinc/24/69/54/181246954.db2.gz MOSYSGPJTJMMDV-SZMVWBNQSA-N 0 3 318.461 2.763 40 0 DFABHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(F)ccc1C)CC2 ZINC000180193601 199128310 /nfs/dbraw/zinc/12/83/10/199128310.db2.gz FGAXHXUIWLSKIJ-DLBZAZTESA-N 0 3 307.409 2.886 40 0 DFABHN O[C@@H]1CCCOC12CCN(CCCOc1ccccc1F)CC2 ZINC000257305688 203030774 /nfs/dbraw/zinc/03/07/74/203030774.db2.gz SRBBPDZJIYEKPJ-QGZVFWFLSA-N 0 3 323.408 2.601 40 0 DFABHN c1cnc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000257309212 203034691 /nfs/dbraw/zinc/03/46/91/203034691.db2.gz TZZGWTWLZJWKFX-HNNXBMFYSA-N 0 3 311.385 2.627 40 0 DFABHN c1cc2c(cccc2C[C@H]2COCCN(Cc3cnc[nH]3)C2)o1 ZINC000257336999 203057408 /nfs/dbraw/zinc/05/74/08/203057408.db2.gz YQYCRVLBUSPEQF-CQSZACIVSA-N 0 3 311.385 2.847 40 0 DFABHN Cc1cccnc1CN1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257327153 203050641 /nfs/dbraw/zinc/05/06/41/203050641.db2.gz XAEZZZZGXRIJIS-UHFFFAOYSA-N 0 3 309.417 2.647 40 0 DFABHN O=C(CN1CCCCCC1)N1CCC(Cc2ccncc2)CC1 ZINC000257343050 203064438 /nfs/dbraw/zinc/06/44/38/203064438.db2.gz ZRGMLPUGADJBCI-UHFFFAOYSA-N 0 3 315.461 2.739 40 0 DFABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000257343600 203065817 /nfs/dbraw/zinc/06/58/17/203065817.db2.gz ZTQKXMXNFGIRGM-OAHLLOKOSA-N 0 3 301.438 2.950 40 0 DFABHN Cc1ccc(C)c(O[C@H](C)C(=O)NCCN2CCCCC2)c1 ZINC000013710894 181882302 /nfs/dbraw/zinc/88/23/02/181882302.db2.gz WXIBPJKFFCKPJL-MRXNPFEDSA-N 0 3 304.434 2.673 40 0 DFABHN COc1cc(CN2CCCN(c3ccccn3)CC2)ccc1O ZINC000194992661 399183126 /nfs/dbraw/zinc/18/31/26/399183126.db2.gz GIUIQQYDYLCTBA-UHFFFAOYSA-N 0 3 313.401 2.508 40 0 DFABHN CCC[C@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000195554811 399185276 /nfs/dbraw/zinc/18/52/76/399185276.db2.gz GCEIVXIMYAAHOC-AWEZNQCLSA-N 0 3 310.825 2.837 40 0 DFABHN CCOc1ncccc1CNC1CCN(c2nccs2)CC1 ZINC000195557418 399185530 /nfs/dbraw/zinc/18/55/30/399185530.db2.gz SRNJAHTWXWROJK-UHFFFAOYSA-N 0 3 318.446 2.695 40 0 DFABHN C[C@@H](CO)CN[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553507 399185584 /nfs/dbraw/zinc/18/55/84/399185584.db2.gz QLCWONAOFXJIHH-ZJUUUORDSA-N 0 3 315.339 2.871 40 0 DFABHN c1ccc(-c2nnc([C@H]3CCCN(Cc4ccncc4)C3)o2)nc1 ZINC000019403287 182121572 /nfs/dbraw/zinc/12/15/72/182121572.db2.gz OZTWNVODVAEYHC-HNNXBMFYSA-N 0 3 321.384 2.906 40 0 DFABHN CCn1ncc(CN(CCN(C)C)Cc2cccs2)c1C ZINC000019523909 182128458 /nfs/dbraw/zinc/12/84/58/182128458.db2.gz ZJVRLXMMAKMBHK-UHFFFAOYSA-N 0 3 306.479 2.837 40 0 DFABHN COc1ccc(CN2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000019555003 182130335 /nfs/dbraw/zinc/13/03/35/182130335.db2.gz LTLWYXBYQZRISI-UHFFFAOYSA-N 0 3 323.400 2.741 40 0 DFABHN O[C@@H]1CCCN(Cc2c3ncccc3[nH]c2-c2cccnc2)C1 ZINC000019717974 182137557 /nfs/dbraw/zinc/13/75/57/182137557.db2.gz UEBXABJLWKFYCX-CQSZACIVSA-N 0 3 308.385 2.582 40 0 DFABHN COc1ccc([C@H](NC(=O)CC2CCN(C)CC2)C2CC2)cc1 ZINC000019748354 182142929 /nfs/dbraw/zinc/14/29/29/182142929.db2.gz AAVRVDXTTZDHGC-LJQANCHMSA-N 0 3 316.445 2.994 40 0 DFABHN NC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCOCC1 ZINC000019796385 182151082 /nfs/dbraw/zinc/15/10/82/182151082.db2.gz SIEABBLNLRRUTN-IBGZPJMESA-N 0 3 312.413 2.598 40 0 DFABHN Cc1ccc2c(c1)cc(CNCc1ccccc1)c1nnnn12 ZINC000020151094 182192676 /nfs/dbraw/zinc/19/26/76/182192676.db2.gz OHKOBWPOLUZJPB-UHFFFAOYSA-N 0 3 303.369 2.876 40 0 DFABHN CNC(=O)c1ccc(CN2CC[C@H](OCCC(C)C)C2)cc1 ZINC000083247877 542502195 /nfs/dbraw/zinc/50/21/95/542502195.db2.gz IZVSYGOIIOKBDQ-KRWDZBQOSA-N 0 3 304.434 2.683 40 0 DFABHN COc1cc(C2(C(=O)NC[C@@H](C)N3CCCC3)CC2)ccc1C ZINC000084187980 542506842 /nfs/dbraw/zinc/50/68/42/542506842.db2.gz YUTIHJIYCLHZEY-OAHLLOKOSA-N 0 3 316.445 2.636 40 0 DFABHN Cc1cnc(CN(C)[C@@H]2CCN(CCc3cccs3)C2)o1 ZINC000084258894 542507645 /nfs/dbraw/zinc/50/76/45/542507645.db2.gz DEXUTLACHPSDBN-CQSZACIVSA-N 0 3 305.447 2.793 40 0 DFABHN CCN1CCN(c2ccc([C@@H](N)c3ccccc3)c(C)n2)CC1 ZINC000072224683 257123502 /nfs/dbraw/zinc/12/35/02/257123502.db2.gz BWFUMHYEIBPBJQ-IBGZPJMESA-N 0 3 310.445 2.580 40 0 DFABHN CCN1CCN(c2ncc([C@@H](N)c3ccccc3)cc2C)CC1 ZINC000072222596 257124413 /nfs/dbraw/zinc/12/44/13/257124413.db2.gz VJZPWCSVZTWIBZ-SFHVURJKSA-N 0 3 310.445 2.580 40 0 DFABHN CCN1CCN(c2ncc([C@H](N)c3ccccc3)cc2C)CC1 ZINC000072222595 257124575 /nfs/dbraw/zinc/12/45/75/257124575.db2.gz VJZPWCSVZTWIBZ-GOSISDBHSA-N 0 3 310.445 2.580 40 0 DFABHN CCN(Cc1ccccc1)C[C@@H](O)COc1cccc(OC)c1 ZINC000001469889 425581966 /nfs/dbraw/zinc/58/19/66/425581966.db2.gz ZTHRMZVTOJVTAL-QGZVFWFLSA-N 0 3 315.413 2.957 40 0 DFABHN C[C@H](CN(C)C)Sc1nnc(S[C@H](C)CN(C)C)s1 ZINC000001586601 425583859 /nfs/dbraw/zinc/58/38/59/425583859.db2.gz IUGLVPPXKQVUQL-NXEZZACHSA-N 0 3 320.553 2.623 40 0 DFABHN CCCCNCC(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000001672715 425584536 /nfs/dbraw/zinc/58/45/36/425584536.db2.gz JZMJHUHERBEVHN-UHFFFAOYSA-N 0 3 306.406 2.972 40 0 DFABHN CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 ZINC000001889603 425586757 /nfs/dbraw/zinc/58/67/57/425586757.db2.gz SVCQBXMFONNZHX-UHFFFAOYSA-N 0 3 319.449 2.761 40 0 in-man DFABHN C[C@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1C(=O)C1CC1 ZINC000012181016 425721002 /nfs/dbraw/zinc/72/10/02/425721002.db2.gz XXKQIROTOMQKJG-UGSOOPFHSA-N 0 3 314.429 2.503 40 0 DFABHN C[C@H](O)CN(Cc1ccc(O)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991787 425764369 /nfs/dbraw/zinc/76/43/69/425764369.db2.gz XXWRBMWHRHXZAG-ZDUSSCGKSA-N 0 3 315.369 2.504 40 0 DFABHN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)C ZINC000044902591 425858683 /nfs/dbraw/zinc/85/86/83/425858683.db2.gz VMXWCFYSUASKRL-ZDUSSCGKSA-N 0 3 300.855 2.889 40 0 DFABHN CCC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000035982070 425844837 /nfs/dbraw/zinc/84/48/37/425844837.db2.gz KKFOLMRJEYQFJU-YQQAZPJKSA-N 0 3 319.445 2.997 40 0 DFABHN c1csc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)c1 ZINC000107731337 426002447 /nfs/dbraw/zinc/00/24/47/426002447.db2.gz BGAUJLZCNIIICF-GDBMZVCRSA-N 0 3 303.431 2.941 40 0 DFABHN C[C@](NCC1CCC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000084651814 426243561 /nfs/dbraw/zinc/24/35/61/426243561.db2.gz ZPHDQBGYZODZPD-CQSZACIVSA-N 0 3 300.324 2.796 40 0 DFABHN COc1cc(NC2CCN(C[C@@H]3CCCO3)CC2)cc(OC)c1 ZINC000085869013 426254254 /nfs/dbraw/zinc/25/42/54/426254254.db2.gz SOIGZSZPUBLZAA-INIZCTEOSA-N 0 3 320.433 2.759 40 0 DFABHN CCN(C)c1ncnc2c1CCN(Cc1cccs1)CC2 ZINC000096058788 426394804 /nfs/dbraw/zinc/39/48/04/426394804.db2.gz VQBDKTFQMJTNIY-UHFFFAOYSA-N 0 3 302.447 2.595 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccoc3)C[C@H]12 ZINC000096058428 426395260 /nfs/dbraw/zinc/39/52/60/426395260.db2.gz IDOZTHVDEJBFEB-PKOBYXMFSA-N 0 3 310.397 2.768 40 0 DFABHN COC[C@@H]1COCCC12CCN(Cc1cccc(OC)c1)CC2 ZINC000096106316 426397751 /nfs/dbraw/zinc/39/77/51/426397751.db2.gz OGWZNJNRLNWRDA-QGZVFWFLSA-N 0 3 319.445 2.960 40 0 DFABHN Fc1ccc2nc(CO[C@H]3CN(C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112219 426399612 /nfs/dbraw/zinc/39/96/12/426399612.db2.gz XPEKIVGLSQTLSQ-DOMZBBRYSA-N 0 3 307.344 2.793 40 0 biogenic,in-vitro DFABHN Cc1ccc([C@@H](N)c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095534119 426374081 /nfs/dbraw/zinc/37/40/81/426374081.db2.gz AAHQRBGLECGQQH-MRXNPFEDSA-N 0 3 312.348 2.879 40 0 DFABHN CN(C)[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1ccncc1 ZINC000096201000 426406465 /nfs/dbraw/zinc/40/64/65/426406465.db2.gz XEZBMQLVTWGBMM-CABCVRRESA-N 0 3 315.442 2.531 40 0 DFABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccccc1OC)C2 ZINC000096039138 426389757 /nfs/dbraw/zinc/38/97/57/426389757.db2.gz KVTRGWAYQHOSKL-ROUUACIJSA-N 0 3 305.418 2.713 40 0 DFABHN Cn1cc([C@H]2COC3(C2)CCN(Cc2ccoc2)CC3)cn1 ZINC000096047788 426390789 /nfs/dbraw/zinc/39/07/89/426390789.db2.gz LDJNNGIFIDMFAW-OAHLLOKOSA-N 0 3 301.390 2.552 40 0 DFABHN Cc1nc(CN2C[C@@H](N(C)C(C)C)[C@H]3OCCC[C@H]3C2)cs1 ZINC000096040588 426391056 /nfs/dbraw/zinc/39/10/56/426391056.db2.gz IFAQLLCBDQZXOZ-UAGQMJEPSA-N 0 3 323.506 2.771 40 0 DFABHN Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)c1 ZINC000096055128 426391954 /nfs/dbraw/zinc/39/19/54/426391954.db2.gz PZTLUQLXWROFCY-CRAIPNDOSA-N 0 3 316.376 2.756 40 0 DFABHN Fc1cccc(O[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)c1 ZINC000096055139 426392059 /nfs/dbraw/zinc/39/20/59/426392059.db2.gz VVSTWMQQFNBYAU-WMZOPIPTSA-N 0 3 316.376 2.756 40 0 DFABHN O=C(c1ccncc1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096203120 426407225 /nfs/dbraw/zinc/40/72/25/426407225.db2.gz LULVLQHICIGSMG-FQEVSTJZSA-N 0 3 321.424 2.820 40 0 DFABHN O=C1CC[C@]2(CCCN(Cc3ccncc3)CC2)N1CC1CC1 ZINC000096217945 426407633 /nfs/dbraw/zinc/40/76/33/426407633.db2.gz HLRATDYJTCLYRG-IBGZPJMESA-N 0 3 313.445 2.839 40 0 DFABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccsc1)CC2 ZINC000096217779 426407952 /nfs/dbraw/zinc/40/79/52/426407952.db2.gz QWCKMLNQPDNCKU-QGZVFWFLSA-N 0 3 322.474 2.742 40 0 DFABHN c1cnc(N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)nc1 ZINC000096214897 426408018 /nfs/dbraw/zinc/40/80/18/426408018.db2.gz KBFZZBMOGMNLIJ-GOSISDBHSA-N 0 3 309.417 2.507 40 0 DFABHN c1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)nc1 ZINC000096255235 426411094 /nfs/dbraw/zinc/41/10/94/426411094.db2.gz RUWRWUNJZWBOJP-UHFFFAOYSA-N 0 3 317.396 2.534 40 0 DFABHN Cc1cccc([C@H](NC(=O)C[C@H]2CNCCO2)C(C)(C)C)c1 ZINC000195543645 426539817 /nfs/dbraw/zinc/53/98/17/426539817.db2.gz VQODBJPPTSFOAA-RDJZCZTQSA-N 0 3 304.434 2.577 40 0 DFABHN COCC[C@H]1CCOC12CCN(Cc1scnc1C)CC2 ZINC000248019125 426975116 /nfs/dbraw/zinc/97/51/16/426975116.db2.gz ILZMZMWCYFOMAC-AWEZNQCLSA-N 0 3 310.463 2.859 40 0 DFABHN CN(C)C[C@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 ZINC000248133940 426984543 /nfs/dbraw/zinc/98/45/43/426984543.db2.gz RAUQNVMHZHGDST-INIZCTEOSA-N 0 3 304.825 2.655 40 0 DFABHN c1csc(CN2CC[C@H]3CN(Cc4cccnc4)CC[C@@H]32)n1 ZINC000253601469 427218110 /nfs/dbraw/zinc/21/81/10/427218110.db2.gz BAPCCJNRVAAEOP-HOTGVXAUSA-N 0 3 314.458 2.635 40 0 DFABHN CCCn1nc(C)cc1CNCCc1ccc(OC)c(OC)c1 ZINC000256053585 427304186 /nfs/dbraw/zinc/30/41/86/427304186.db2.gz SAQYCQOMHJAUBB-UHFFFAOYSA-N 0 3 317.433 2.951 40 0 DFABHN c1cnc(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000257204994 427310723 /nfs/dbraw/zinc/31/07/23/427310723.db2.gz AXEAXBAMKAWVRK-UHFFFAOYSA-N 0 3 311.385 2.627 40 0 DFABHN CC(C)N1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 ZINC000257213904 427315148 /nfs/dbraw/zinc/31/51/48/427315148.db2.gz CJPOEUCQBVIDAF-CYBMUJFWSA-N 0 3 318.421 2.800 40 0 DFABHN COc1cccc(CN2CCC[C@@H](Cc3nccnc3N)C2)c1 ZINC000257256975 427324903 /nfs/dbraw/zinc/32/49/03/427324903.db2.gz KNPGJHZEOUXRMP-HNNXBMFYSA-N 0 3 312.417 2.522 40 0 DFABHN CN(C)C(=O)CN1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257264912 427328868 /nfs/dbraw/zinc/32/88/68/427328868.db2.gz LWMKXZVBHIWIAW-HNNXBMFYSA-N 0 3 311.429 2.578 40 0 DFABHN Cc1ccc(CNC(=O)c2cncc([C@H]3CCCN(C)C3)n2)cc1 ZINC000257271357 427332868 /nfs/dbraw/zinc/33/28/68/427332868.db2.gz MXYRYANVRWZUSN-INIZCTEOSA-N 0 3 324.428 2.524 40 0 DFABHN c1ccc(CSCCN2CCN(C3CCOCC3)CC2)cc1 ZINC000192610054 427574287 /nfs/dbraw/zinc/57/42/87/427574287.db2.gz QCNDBOPYMNIEPG-UHFFFAOYSA-N 0 3 320.502 2.716 40 0 DFABHN C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H](C)c1nccn1C ZINC000341708716 428162114 /nfs/dbraw/zinc/16/21/14/428162114.db2.gz QIFVVUIWGSMTBL-OLZOCXBDSA-N 0 3 301.390 2.821 40 0 DFABHN CC(C)C(=O)N1CCC[C@]2(CC1)CN(C)Cc1ccccc1O2 ZINC000072394774 277331214 /nfs/dbraw/zinc/33/12/14/277331214.db2.gz HJANMCVGVVULFC-IBGZPJMESA-N 0 3 316.445 2.918 40 0 DFABHN CCc1onc(C)c1C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000195567605 323284499 /nfs/dbraw/zinc/28/44/99/323284499.db2.gz LHHUJKJSILUDLM-CQSZACIVSA-N 0 3 307.438 2.786 40 0 DFABHN NC(=O)Cn1cc(CNC2(c3ccccc3)CC2)c2ccccc21 ZINC000012361862 190637236 /nfs/dbraw/zinc/63/72/36/190637236.db2.gz XALFMALTPGUPJO-UHFFFAOYSA-N 0 3 319.408 2.906 40 0 DFABHN CN1CC[C@@H](COc2ccccn2)CC12CN(CC1CCC1)C2 ZINC000585102621 398432038 /nfs/dbraw/zinc/43/20/38/398432038.db2.gz CNGOYQLSARKOOW-QGZVFWFLSA-N 0 3 315.461 2.657 40 0 DFABHN COCC[C@@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 ZINC000585105271 398433228 /nfs/dbraw/zinc/43/32/28/398433228.db2.gz RVDZLZQGMWNJOR-MRXNPFEDSA-N 0 3 304.434 2.798 40 0 DFABHN c1cncc(CO[C@H]2CSC3(CN(CC4CCC4)C3)C2)c1 ZINC000585105435 398433574 /nfs/dbraw/zinc/43/35/74/398433574.db2.gz WMVMCNOTZYAINL-MRXNPFEDSA-N 0 3 304.459 2.958 40 0 DFABHN CC(C)(C)OC(=O)NCCNCC1=Cc2ccccc2OC1 ZINC000083454428 192370620 /nfs/dbraw/zinc/37/06/20/192370620.db2.gz FIDTYZBRRJQDOY-UHFFFAOYSA-N 0 3 304.390 2.577 40 0 DFABHN CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)c2nccn2CC)cn1 ZINC000414241315 295780243 /nfs/dbraw/zinc/78/02/43/295780243.db2.gz GAEYWZWRSUCGDR-IJEWVQPXSA-N 0 3 317.437 2.548 40 0 DFABHN COC(=O)c1cc(F)ccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000083895644 192388594 /nfs/dbraw/zinc/38/85/94/192388594.db2.gz KTQILCGVDYORNB-GFCCVEGCSA-N 0 3 307.365 2.613 40 0 DFABHN CN1CCC(NC(=O)NCC2(Cc3ccccc3)CCC2)CC1 ZINC000083877582 192389177 /nfs/dbraw/zinc/38/91/77/192389177.db2.gz ONTDIJQJVXZAPT-UHFFFAOYSA-N 0 3 315.461 2.793 40 0 DFABHN CN1CCC[C@@H](c2cccc(NCCC3(O)CCCC3)n2)C1 ZINC000072365543 191134279 /nfs/dbraw/zinc/13/42/79/191134279.db2.gz MBDSYTNGENJRGA-OAHLLOKOSA-N 0 3 303.450 2.998 40 0 DFABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cccnc4)C[C@H]32)nc1 ZINC000072392556 191148858 /nfs/dbraw/zinc/14/88/58/191148858.db2.gz NJZNQCLFKMDEIQ-SCTDSRPQSA-N 0 3 309.413 2.515 40 0 DFABHN CN(C(=O)c1cncc([C@@H]2CCCN(C)C2)n1)C1CCCCC1 ZINC000072387124 191145528 /nfs/dbraw/zinc/14/55/28/191145528.db2.gz XGVGHIUKYKLUAS-CQSZACIVSA-N 0 3 316.449 2.691 40 0 DFABHN CCOC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000074921081 191388209 /nfs/dbraw/zinc/38/82/09/191388209.db2.gz QCGPIHWPSPUCDL-UHFFFAOYSA-N 0 3 304.390 2.534 40 0 DFABHN COc1ccc([C@H](O)[C@H]2NC(=N)S[C@H]2c2ccccc2)cc1 ZINC000005003660 181188808 /nfs/dbraw/zinc/18/88/08/181188808.db2.gz AXNGOUSWORRIRG-PMPSAXMXSA-N 0 3 314.410 2.900 40 0 DFABHN CCN(C)CCNC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000080267729 192018882 /nfs/dbraw/zinc/01/88/82/192018882.db2.gz KLWGGMQIBDMUPN-VIFPVBQESA-N 0 3 319.268 2.682 40 0 DFABHN Cc1cccc([C@H]2CCCCN2C(=O)C(C)S(C)(=O)=O)c1C ZINC000081323004 192249917 /nfs/dbraw/zinc/24/99/17/192249917.db2.gz TUADBKXNPMUSOJ-GDBMZVCRSA-N 0 3 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Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224761 257123121 /nfs/dbraw/zinc/12/31/21/257123121.db2.gz FDXROKGVPQOLSY-FQEVSTJZSA-N 0 3 324.472 2.969 40 0 DFABHN CC(C)N1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216542 257125424 /nfs/dbraw/zinc/12/54/24/257125424.db2.gz PWKWAVOUBYKNBM-QGZVFWFLSA-N 0 3 302.466 2.769 40 0 DFABHN CC[C@H](OC[C@H](O)CN(C)C)c1ccc(Br)cc1 ZINC000072210033 257127971 /nfs/dbraw/zinc/12/79/71/257127971.db2.gz LNXNUAULYINQFB-KGLIPLIRSA-N 0 3 316.239 2.839 40 0 DFABHN CC(C)(C)n1cc(CN[C@H]2CCC[C@H]2Cc2ccccn2)nn1 ZINC000585093587 543460202 /nfs/dbraw/zinc/46/02/02/543460202.db2.gz GKDSWYPPHWNTHK-YOEHRIQHSA-N 0 3 313.449 2.929 40 0 DFABHN COc1ccc(C(=O)C(CN2CCCC2)CN2CCCC2)cc1 ZINC000001608312 425582826 /nfs/dbraw/zinc/58/28/26/425582826.db2.gz ZULWMNOTYSETMF-UHFFFAOYSA-N 0 3 316.445 2.686 40 0 DFABHN CCCCOc1cc(C(=O)NCCN(C)C)c2ccccc2n1 ZINC000001590400 425583763 /nfs/dbraw/zinc/58/37/63/425583763.db2.gz KYNYSWROWCUJRS-UHFFFAOYSA-N 0 3 315.417 2.705 40 0 DFABHN CC(=O)OCc1cc2c(cc1CNCc1ccccc1)OCO2 ZINC000001716392 425584524 /nfs/dbraw/zinc/58/45/24/425584524.db2.gz OMMUJHUGOAISRQ-UHFFFAOYSA-N 0 3 313.353 2.768 40 0 DFABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1C(=O)C1CC1 ZINC000012181013 425721539 /nfs/dbraw/zinc/72/15/39/425721539.db2.gz XXKQIROTOMQKJG-ACJLOTCBSA-N 0 3 314.429 2.503 40 0 DFABHN COc1ccc([C@H]2NCC[C@]3(O)CCCC[C@@H]23)c(OC)c1OC ZINC000013116558 425748811 /nfs/dbraw/zinc/74/88/11/425748811.db2.gz QDBBFORVWWODCU-JCKWVBRZSA-N 0 3 321.417 2.668 40 0 DFABHN CN1CCC(NC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000047837433 425871920 /nfs/dbraw/zinc/87/19/20/425871920.db2.gz DMFJIILPXSALMS-UHFFFAOYSA-N 0 3 312.866 2.784 40 0 DFABHN Cc1ccc(CN2CC[C@]3(C[C@@H](n4ccnc4)CO3)C2)s1 ZINC000107226650 425986705 /nfs/dbraw/zinc/98/67/05/425986705.db2.gz SLTHEGUMKPSSKK-ZBFHGGJFSA-N 0 3 303.431 2.859 40 0 DFABHN Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccs3)O2)o1 ZINC000107714928 426001273 /nfs/dbraw/zinc/00/12/73/426001273.db2.gz CPIUKNXAKDBHHH-MGPQQGTHSA-N 0 3 305.403 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/nfs/dbraw/zinc/40/95/74/426409574.db2.gz LAODHJKOTTUCKY-QGZVFWFLSA-N 0 3 322.474 2.711 40 0 DFABHN Cc1cccc(CN2C[C@@H]3C(=O)N(c4ccsc4)C[C@@H]3C2)n1 ZINC000096245222 426411017 /nfs/dbraw/zinc/41/10/17/426411017.db2.gz NWEOLRKAXQOTAT-BBRMVZONSA-N 0 3 313.426 2.546 40 0 DFABHN c1ccc(CN2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)nc1 ZINC000097953501 426475257 /nfs/dbraw/zinc/47/52/57/426475257.db2.gz VDHBOIOHGUTWSB-WDYCEAGBSA-N 0 3 324.428 2.568 40 0 DFABHN CCCOC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225726852 426609499 /nfs/dbraw/zinc/60/94/99/426609499.db2.gz MNUGUFJSHSHOCG-UHFFFAOYSA-N 0 3 308.422 2.771 40 0 DFABHN CN(C)C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 ZINC000248157214 426983331 /nfs/dbraw/zinc/98/33/31/426983331.db2.gz ZOLWNEVXBGWQEQ-CQSZACIVSA-N 0 3 322.815 2.794 40 0 DFABHN COc1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C)n1)C2 ZINC000329024279 427028922 /nfs/dbraw/zinc/02/89/22/427028922.db2.gz OYPGJXSMXPUPAJ-UHFFFAOYSA-N 0 3 310.401 2.931 40 0 DFABHN CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2CCOc1ccc(F)cc1 ZINC000257211584 427310650 /nfs/dbraw/zinc/31/06/50/427310650.db2.gz BZKPZVRUZTZJAE-DLBZAZTESA-N 0 3 320.408 2.680 40 0 DFABHN C[C@@H](NC(=O)c1ccccc1-n1cnc(CN)c1)c1ccccc1 ZINC000257210529 427310937 /nfs/dbraw/zinc/31/09/37/427310937.db2.gz BVALRGCLZDJXMF-CQSZACIVSA-N 0 3 320.396 2.822 40 0 DFABHN Cc1ncc2cncc([C@@H]3CCCN(Cc4cncs4)C3)n21 ZINC000257199697 427311053 /nfs/dbraw/zinc/31/10/53/427311053.db2.gz AANKKIGKIJMVIO-CYBMUJFWSA-N 0 3 313.430 2.874 40 0 DFABHN Cc1nn(C)cc1CN1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000257214225 427314454 /nfs/dbraw/zinc/31/44/54/427314454.db2.gz CLCXENQMUUHJDP-HNNXBMFYSA-N 0 3 323.400 2.768 40 0 DFABHN COc1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257239755 427319892 /nfs/dbraw/zinc/31/98/92/427319892.db2.gz HQRBNLXSEDISEN-AWEZNQCLSA-N 0 3 301.390 2.725 40 0 DFABHN Cn1cc(CN2CCC[C@@H](Cc3cnc4[nH]ccc4c3)C2)cn1 ZINC000257241520 427321501 /nfs/dbraw/zinc/32/15/01/427321501.db2.gz HYHWUCBIXUGGHP-AWEZNQCLSA-N 0 3 309.417 2.751 40 0 DFABHN Cc1ccc(CN2CCC(c3ccn4nccc4n3)CC2)cn1 ZINC000257250740 427323457 /nfs/dbraw/zinc/32/34/57/427323457.db2.gz JNVUORJIYTYQMT-UHFFFAOYSA-N 0 3 307.401 2.812 40 0 DFABHN Cc1ccccc1CN1CC2(C1)CO[C@H](Cc1cncnc1)C2 ZINC000257261887 427327736 /nfs/dbraw/zinc/32/77/36/427327736.db2.gz LJFJAHACCSRUJI-GOSISDBHSA-N 0 3 309.413 2.619 40 0 DFABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ccc(F)cc1 ZINC000257265756 427328757 /nfs/dbraw/zinc/32/87/57/427328757.db2.gz MADCIGXJIHCWMO-WMZOPIPTSA-N 0 3 320.408 2.680 40 0 DFABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1cccc(OCCO)c1 ZINC000257261834 427329405 /nfs/dbraw/zinc/32/94/05/427329405.db2.gz LIYQHNIFOBLGCW-KRWDZBQOSA-N 0 3 315.417 2.816 40 0 DFABHN C[C@@H](CCc1ccc2c(c1)OCO2)N[C@@H](C)c1nccn1C ZINC000341708718 428165272 /nfs/dbraw/zinc/16/52/72/428165272.db2.gz QIFVVUIWGSMTBL-STQMWFEESA-N 0 3 301.390 2.821 40 0 DFABHN O=Cc1cn(-c2ccccc2)nc1C1=CC2C=CC=C[C@H]2OC1=O ZINC000000804858 280334680 /nfs/dbraw/zinc/33/46/80/280334680.db2.gz NDHJKZQRXWLWKI-SUMWQHHRSA-N 0 3 318.332 2.736 40 0 DFABHN N[C@H]1CC2(CCC2)S(=O)(=O)c2cc(Br)ccc21 ZINC000306145778 295332999 /nfs/dbraw/zinc/33/29/99/295332999.db2.gz PTNZKVBHKJWGJC-JTQLQIEISA-N 0 3 316.220 2.549 40 0 DFABHN CC(=O)Nc1ccc(C)cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000195448353 323282364 /nfs/dbraw/zinc/28/23/64/323282364.db2.gz IMNBPYGIRFCBCF-UHFFFAOYSA-N 0 3 315.417 2.766 40 0 DFABHN CCc1onc(C)c1C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000195567604 323284203 /nfs/dbraw/zinc/28/42/03/323284203.db2.gz LHHUJKJSILUDLM-AWEZNQCLSA-N 0 3 307.438 2.786 40 0 DFABHN CCC(CC)(CC(=O)OC)NCC(=O)N[C@@H](C)c1ccccc1 ZINC000079068507 185152955 /nfs/dbraw/zinc/15/29/55/185152955.db2.gz ASWQHFVXYLOMFJ-AWEZNQCLSA-N 0 3 320.433 2.575 40 0 DFABHN CC(C)N(Cc1ccccc1)C[C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079416179 185170871 /nfs/dbraw/zinc/17/08/71/185170871.db2.gz VMXFQPYEOVOYAS-QGZVFWFLSA-N 0 3 304.434 2.694 40 0 DFABHN CC(C)N(Cc1ccccc1)C[C@@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079416179 185170872 /nfs/dbraw/zinc/17/08/72/185170872.db2.gz VMXFQPYEOVOYAS-QGZVFWFLSA-N 0 3 304.434 2.694 40 0 DFABHN Cc1cccc(OC[C@]2(O)CCN(Cc3ccncc3C)C2)c1 ZINC000585269382 398436931 /nfs/dbraw/zinc/43/69/31/398436931.db2.gz REIUZTLTUZWSSJ-IBGZPJMESA-N 0 3 312.413 2.714 40 0 DFABHN CC(=O)c1ccc(NC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000083843733 192387030 /nfs/dbraw/zinc/38/70/30/192387030.db2.gz YPRXFFKUTZWTDP-WBVHZDCISA-N 0 3 315.417 2.837 40 0 DFABHN Cc1cc2nc([C@H]3CCCN(Cc4ccco4)C3)cc(N)n2n1 ZINC000072339770 191126286 /nfs/dbraw/zinc/12/62/86/191126286.db2.gz NUEVISOXBRSMRS-ZDUSSCGKSA-N 0 3 311.389 2.593 40 0 DFABHN Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072359963 191130845 /nfs/dbraw/zinc/13/08/45/191130845.db2.gz HLIMPMFKVTYWKK-CQSZACIVSA-N 0 3 312.421 2.906 40 0 DFABHN Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072359966 191130858 /nfs/dbraw/zinc/13/08/58/191130858.db2.gz ZNBGCCLNWJJRRE-AWEZNQCLSA-N 0 3 312.421 2.906 40 0 DFABHN COc1ccc(CN2CCC[C@H](Cc3ccc(N)nn3)C2)cc1 ZINC000072387381 191144751 /nfs/dbraw/zinc/14/47/51/191144751.db2.gz NXWCPWHXNSCEBB-OAHLLOKOSA-N 0 3 312.417 2.522 40 0 DFABHN Cn1nc([C@H]2CCCN(Cc3ccsc3)C2)c2nccnc21 ZINC000072393847 191148947 /nfs/dbraw/zinc/14/89/47/191148947.db2.gz DCDVTJNMPHGBLP-ZDUSSCGKSA-N 0 3 313.430 2.804 40 0 DFABHN COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000005459656 181246478 /nfs/dbraw/zinc/24/64/78/181246478.db2.gz DNIJHTXTABZFJZ-LBPRGKRZSA-N 0 3 303.333 2.918 40 0 DFABHN COc1cc(CNCc2cccc(N(C)C)c2)cc2c1OCO2 ZINC000078757958 398986255 /nfs/dbraw/zinc/98/62/55/398986255.db2.gz MPWVUBZZIQBSFV-UHFFFAOYSA-N 0 3 314.385 2.780 40 0 DFABHN CC[C@@H](C(=O)Nc1ccn(Cc2ccccc2)n1)N(CC)CC ZINC000078822431 398991760 /nfs/dbraw/zinc/99/17/60/398991760.db2.gz SWHTTZGCKOCHRU-INIZCTEOSA-N 0 3 314.433 2.990 40 0 DFABHN CC(C)c1nnc2n1C[C@H](N[C@H](C)c1cccc(O)c1)CC2 ZINC000194946564 201314941 /nfs/dbraw/zinc/31/49/41/201314941.db2.gz GVQZKOOIXIDZHM-TZMCWYRMSA-N 0 3 300.406 2.773 40 0 DFABHN Cc1cnc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)o1 ZINC000195263124 201369518 /nfs/dbraw/zinc/36/95/18/201369518.db2.gz SSAWQMXEIKDFIB-CQSZACIVSA-N 0 3 320.462 2.702 40 0 DFABHN CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)CNCc1ccccn1)=CC2 ZINC000006822592 181395418 /nfs/dbraw/zinc/39/54/18/181395418.db2.gz VJMNNNJDUNTRJC-JQHSSLGASA-N 0 3 316.445 2.541 40 0 DFABHN CO[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@@]12CCCO2 ZINC000257261704 202992664 /nfs/dbraw/zinc/99/26/64/202992664.db2.gz LILPMKOZNKOGDV-ROUUACIJSA-N 0 3 300.402 2.938 40 0 DFABHN COc1cc(CN2CC[C@@H](c3nc(C)cn3C)C2)cc(OC)c1 ZINC000257336040 203059089 /nfs/dbraw/zinc/05/90/89/203059089.db2.gz YMXBMEWRKRLFNF-OAHLLOKOSA-N 0 3 315.417 2.735 40 0 DFABHN C[C@H]1C[C@@H](NC(=O)C2=CCCCO2)CCN1Cc1ccccc1 ZINC000079944938 399099703 /nfs/dbraw/zinc/09/97/03/399099703.db2.gz OVVNCKWHYWMQLW-RDJZCZTQSA-N 0 3 314.429 2.850 40 0 DFABHN O[C@@H]1CCCOC12CCN(Cc1cccc3cccnc31)CC2 ZINC000257343519 203065549 /nfs/dbraw/zinc/06/55/49/203065549.db2.gz ZTIDRRLMZNOALX-QGZVFWFLSA-N 0 3 312.413 2.741 40 0 DFABHN O=C(c1ccoc1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053882 193504862 /nfs/dbraw/zinc/50/48/62/193504862.db2.gz UMMUXIIRMITQDF-IYBDPMFKSA-N 0 3 314.360 2.623 40 0 DFABHN C[C@@H](CO)CN[C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000195553511 399185433 /nfs/dbraw/zinc/18/54/33/399185433.db2.gz QLCWONAOFXJIHH-NXEZZACHSA-N 0 3 315.339 2.871 40 0 DFABHN C[C@H](CN1CC[C@@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000195572850 399187923 /nfs/dbraw/zinc/18/79/23/399187923.db2.gz JVKKQTKFBFTIQE-RHSMWYFYSA-N 0 3 308.853 2.850 40 0 DFABHN Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CO)n1 ZINC000015672482 182011568 /nfs/dbraw/zinc/01/15/68/182011568.db2.gz ZHNHZWVECJJYQZ-MJBXVCDLSA-N 0 3 315.442 2.684 40 0 biogenic,in-vitro DFABHN CCC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016739457 182059554 /nfs/dbraw/zinc/05/95/54/182059554.db2.gz KKFOLMRJEYQFJU-UXLLHSPISA-N 0 3 319.445 2.997 40 0 DFABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1ccncc1)C2 ZINC000019338247 182117002 /nfs/dbraw/zinc/11/70/02/182117002.db2.gz VFXSTQQWCCDMFU-DFNIBXOVSA-N 0 3 309.413 2.596 40 0 DFABHN Cn1nccc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658620 182134899 /nfs/dbraw/zinc/13/48/99/182134899.db2.gz MQSWVHJYVFVROP-AWEZNQCLSA-N 0 3 309.417 2.751 40 0 DFABHN COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C)N2CCCC2)cc1 ZINC000022515990 182324201 /nfs/dbraw/zinc/32/42/01/182324201.db2.gz LKSWKIDHUNZFDW-IAOVAPTHSA-N 0 3 302.418 2.604 40 0 DFABHN c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)ccn1 ZINC000107752011 194255905 /nfs/dbraw/zinc/25/59/05/194255905.db2.gz DUKHZAFUFCEBLM-OALUTQOASA-N 0 3 316.445 2.879 40 0 DFABHN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCCCC1 ZINC000004071322 285018019 /nfs/dbraw/zinc/01/80/19/285018019.db2.gz XJPLHHOBSNKONO-UHFFFAOYSA-N 0 3 308.381 2.922 40 0 DFABHN O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccc1 ZINC000306136289 285026587 /nfs/dbraw/zinc/02/65/87/285026587.db2.gz POYRUPBRYPGQPQ-OALUTQOASA-N 0 3 321.424 2.779 40 0 DFABHN C[C@@H]1Cc2cc(CNCc3ccc(OCCO)cc3)ccc2O1 ZINC000012238357 542420244 /nfs/dbraw/zinc/42/02/44/542420244.db2.gz ITSDSDXIPKEWOT-CQSZACIVSA-N 0 3 313.397 2.671 40 0 DFABHN Cc1ccc(C2(NCc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc1 ZINC000012238739 542419898 /nfs/dbraw/zinc/41/98/98/542419898.db2.gz OBHKZHNXGVODJJ-UHFFFAOYSA-N 0 3 321.424 2.964 40 0 DFABHN COc1ccc(-c2cccc3nc([C@@H]4CNCCN4C)cn32)cc1 ZINC000306138258 533183327 /nfs/dbraw/zinc/18/33/27/533183327.db2.gz RTPQGUTZNBJFBF-SFHVURJKSA-N 0 3 322.412 2.586 40 0 DFABHN Cc1ncc(CN[C@H](C)CC(=O)NC(C)C)n1-c1ccccc1 ZINC000084048435 542505961 /nfs/dbraw/zinc/50/59/61/542505961.db2.gz KSOKFKDHGQIVKR-CQSZACIVSA-N 0 3 314.433 2.574 40 0 DFABHN COc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1OC ZINC000095534149 257136695 /nfs/dbraw/zinc/13/66/95/257136695.db2.gz NCKOEINNDVYWKY-MRXNPFEDSA-N 0 3 324.384 2.845 40 0 DFABHN CCOc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1OC ZINC000095533495 257137718 /nfs/dbraw/zinc/13/77/18/257137718.db2.gz BOACTYOVIOPOGH-INIZCTEOSA-N 0 3 324.384 2.927 40 0 DFABHN C[C@H](c1ccccc1F)N1CCC(c2ccnn2CCO)CC1 ZINC000195509692 224532839 /nfs/dbraw/zinc/53/28/39/224532839.db2.gz QILBTUULYAZXJT-CQSZACIVSA-N 0 3 317.408 2.955 40 0 DFABHN OC[C@]12CN(Cc3ccccc3)C[C@@H]1c1c(F)cccc1OC2 ZINC000642881917 543504311 /nfs/dbraw/zinc/50/43/11/543504311.db2.gz DWWZCQAJBKGGCO-BEFAXECRSA-N 0 3 313.372 2.796 40 0 DFABHN CCN(Cc1ccccc1)C[C@H](O)COc1cccc(OC)c1 ZINC000001469887 425581798 /nfs/dbraw/zinc/58/17/98/425581798.db2.gz ZTHRMZVTOJVTAL-KRWDZBQOSA-N 0 3 315.413 2.957 40 0 DFABHN Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cccnc1)C2 ZINC000012089083 425718433 /nfs/dbraw/zinc/71/84/33/425718433.db2.gz PUQJDPVHRYPPBP-UFRUDQCGSA-N 0 3 323.440 2.905 40 0 DFABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCCC[C@@H]3C)ccc21 ZINC000012181087 425721779 /nfs/dbraw/zinc/72/17/79/425721779.db2.gz FOLIBANCCVPVAU-KSSFIOAISA-N 0 3 316.445 2.894 40 0 DFABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1cc(C)ccc1OC ZINC000012363012 425724060 /nfs/dbraw/zinc/72/40/60/425724060.db2.gz APOLQFCNEAYEMX-KRWDZBQOSA-N 0 3 318.461 2.927 40 0 DFABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](n4cnnc4)CO3)C2)s1 ZINC000107228806 425986682 /nfs/dbraw/zinc/98/66/82/425986682.db2.gz MQCPIEIVMHQYSZ-ZBFHGGJFSA-N 0 3 318.446 2.644 40 0 DFABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)o1 ZINC000107731370 426002579 /nfs/dbraw/zinc/00/25/79/426002579.db2.gz HNFKQICETYNKQX-WBVHZDCISA-N 0 3 301.390 2.781 40 0 DFABHN O=C([C@H]1CCC[C@]12CCN(Cc1ccco1)C2)N1CC(F)(F)C1 ZINC000108527146 426017389 /nfs/dbraw/zinc/01/73/89/426017389.db2.gz DWVFJPVWQKEZIQ-GDBMZVCRSA-N 0 3 324.371 2.749 40 0 DFABHN Cc1c(F)cccc1CN1CCC2(CCCN(C)C2=O)CC1 ZINC000108533345 426018122 /nfs/dbraw/zinc/01/81/22/426018122.db2.gz HHLCNUQDEHFROL-UHFFFAOYSA-N 0 3 304.409 2.969 40 0 DFABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1C)C2 ZINC000108533963 426018330 /nfs/dbraw/zinc/01/83/30/426018330.db2.gz VURXJFSRBAHPCK-WMZOPIPTSA-N 0 3 304.409 2.872 40 0 DFABHN Fc1ccc(CNC[C@@H]2OCCc3cn(CC4CC4)nc32)cc1 ZINC000096059747 426394420 /nfs/dbraw/zinc/39/44/20/426394420.db2.gz DQMKMBDCSJGDLQ-KRWDZBQOSA-N 0 3 315.392 2.836 40 0 DFABHN Cc1nc(CO[C@@H]2CN(CC3CC3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058125 426394431 /nfs/dbraw/zinc/39/44/31/426394431.db2.gz KLWFGQRCPBQAHL-OAGGEKHMSA-N 0 3 308.447 2.610 40 0 DFABHN Cc1nc[nH]c1CN1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076074 426396651 /nfs/dbraw/zinc/39/66/51/426396651.db2.gz VJPLYHIDRCNHHR-GOSISDBHSA-N 0 3 314.408 2.708 40 0 DFABHN c1cc(CN2CCC3(CO[C@@H](COCC4CC4)C3)CC2)ccn1 ZINC000096105966 426397595 /nfs/dbraw/zinc/39/75/95/426397595.db2.gz CQPFJBPZWOMLIB-GOSISDBHSA-N 0 3 316.445 2.879 40 0 DFABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096158729 426403088 /nfs/dbraw/zinc/40/30/88/426403088.db2.gz NKRLBQYLIKQQKH-OAHLLOKOSA-N 0 3 319.401 2.575 40 0 DFABHN CCCCc1ncc(CN2CCC3(CC2)OCCC[C@H]3OC)[nH]1 ZINC000095386726 426370574 /nfs/dbraw/zinc/37/05/74/426370574.db2.gz GDYWVOVQZPFHRF-MRXNPFEDSA-N 0 3 321.465 2.912 40 0 DFABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1c(C)noc1C)C2 ZINC000096039331 426389313 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426393036 /nfs/dbraw/zinc/39/30/36/426393036.db2.gz QPNVSICFUXVFTP-WFASDCNBSA-N 0 3 302.399 2.744 40 0 DFABHN c1csc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 ZINC000096058630 426393945 /nfs/dbraw/zinc/39/39/45/426393945.db2.gz IGUJMMMZMFMUAQ-ZDUSSCGKSA-N 0 3 315.442 2.643 40 0 DFABHN COCCN1C(=O)CC[C@]12CCCN(Cc1ccsc1)CC2 ZINC000096217782 426407326 /nfs/dbraw/zinc/40/73/26/426407326.db2.gz QWCKMLNQPDNCKU-KRWDZBQOSA-N 0 3 322.474 2.742 40 0 DFABHN CCc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)N(C)C)C3)o1 ZINC000096215515 426408380 /nfs/dbraw/zinc/40/83/80/426408380.db2.gz UUBRXIVEFUSTOV-GOSISDBHSA-N 0 3 319.449 2.812 40 0 DFABHN Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)NC(C)C)O[C@@H]3C2)s1 ZINC000096220319 426409990 /nfs/dbraw/zinc/40/99/90/426409990.db2.gz YYWPIKBOWQHRQU-OFQRWUPVSA-N 0 3 322.474 2.561 40 0 DFABHN Cc1cccc(CN2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)n1 ZINC000096244719 426411517 /nfs/dbraw/zinc/41/15/17/426411517.db2.gz ORZWFJPENLBDCA-GOSISDBHSA-N 0 3 321.424 2.843 40 0 DFABHN COc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cc1 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/nfs/dbraw/zinc/39/20/13/426392013.db2.gz UMMUXIIRMITQDF-HOTGVXAUSA-N 0 3 314.360 2.623 40 0 DFABHN O=C(c1ccco1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053879 426392664 /nfs/dbraw/zinc/39/26/64/426392664.db2.gz MXGVQKXKPDNNAF-GASCZTMLSA-N 0 3 314.360 2.623 40 0 DFABHN CN(Cc1ccco1)[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@H]12 ZINC000096057155 426392994 /nfs/dbraw/zinc/39/29/94/426392994.db2.gz GOKWOQMCSKDVAR-JQHSSLGASA-N 0 3 304.434 2.601 40 0 DFABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1ccsc1 ZINC000096053685 426393395 /nfs/dbraw/zinc/39/33/95/426393395.db2.gz XQKVIBQATALUGO-BBRMVZONSA-N 0 3 316.401 2.982 40 0 DFABHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)o1 ZINC000096227812 426409693 /nfs/dbraw/zinc/40/96/93/426409693.db2.gz NYFVIIDZKPSCNG-MRXNPFEDSA-N 0 3 302.418 2.859 40 0 DFABHN c1csc(CN2CC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)c1 ZINC000096218963 426409920 /nfs/dbraw/zinc/40/99/20/426409920.db2.gz BJJMMGAIUOGYAJ-RDJZCZTQSA-N 0 3 315.442 2.989 40 0 DFABHN c1ccc(CN2CC[C@]3(C[C@H](Nc4ccccn4)CO3)C2)cc1 ZINC000096219053 426409935 /nfs/dbraw/zinc/40/99/35/426409935.db2.gz ZFGZXWFEFLNVAI-HKUYNNGSSA-N 0 3 309.413 2.927 40 0 DFABHN Cc1cccc(CN2CCc3ncnc(NC(C)C)c3CC2)n1 ZINC000096255515 426410928 /nfs/dbraw/zinc/41/09/28/426410928.db2.gz YLWMPDMZCQWIHC-UHFFFAOYSA-N 0 3 311.433 2.601 40 0 DFABHN c1cc(-c2ncnc3c2CCN(Cc2ccccn2)CC3)co1 ZINC000096255160 426411141 /nfs/dbraw/zinc/41/11/41/426411141.db2.gz APSXCOKDAOQHDC-UHFFFAOYSA-N 0 3 306.369 2.732 40 0 DFABHN COc1ccc2c(c1)C1(C[C@@H]2OC)CCN([C@H]2CCOC2)CC1 ZINC000096241864 426411259 /nfs/dbraw/zinc/41/12/59/426411259.db2.gz XLYGZWGTECXOLM-KSSFIOAISA-N 0 3 317.429 2.909 40 0 DFABHN Cc1c(CCN[C@@H]2CCCOc3cc(F)ccc32)cnn1C ZINC000195557692 426538396 /nfs/dbraw/zinc/53/83/96/426538396.db2.gz DIJGPIQJDYXKQZ-MRXNPFEDSA-N 0 3 303.381 2.914 40 0 DFABHN C[C@@H](CN[C@H]1CCCN(c2cccnc2)C1=O)c1ccccc1 ZINC000194621917 426489218 /nfs/dbraw/zinc/48/92/18/426489218.db2.gz KHQBSSHMQOSXRL-YJBOKZPZSA-N 0 3 309.413 2.970 40 0 DFABHN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCN(C)CC1 ZINC000225708355 426610135 /nfs/dbraw/zinc/61/01/35/426610135.db2.gz QZKGVVWBGVOIPV-AWEZNQCLSA-N 0 3 316.445 2.543 40 0 DFABHN C[C@@H]1CN(CCN2CCC[C@H]2Cc2cccc(F)c2)CCO1 ZINC000239366965 426713458 /nfs/dbraw/zinc/71/34/58/426713458.db2.gz AGZNZVMPVPWWDT-QAPCUYQASA-N 0 3 306.425 2.553 40 0 DFABHN C[C@H]1CN(CCN2CCC[C@H]2Cc2cccc(F)c2)CCO1 ZINC000239366966 426713746 /nfs/dbraw/zinc/71/37/46/426713746.db2.gz AGZNZVMPVPWWDT-YJBOKZPZSA-N 0 3 306.425 2.553 40 0 DFABHN N[C@@H]1CC2(CCC2)S(=O)(=O)c2ccc(Br)cc21 ZINC000306145761 426914404 /nfs/dbraw/zinc/91/44/04/426914404.db2.gz PJWSXXGDRNJIMG-SNVBAGLBSA-N 0 3 316.220 2.549 40 0 DFABHN CN(C)C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn21 ZINC000248157209 426984359 /nfs/dbraw/zinc/98/43/59/426984359.db2.gz ZOLWNEVXBGWQEQ-AWEZNQCLSA-N 0 3 322.815 2.794 40 0 DFABHN Cc1ccc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)cc1 ZINC000329040762 427030594 /nfs/dbraw/zinc/03/05/94/427030594.db2.gz SFAMTWZCXQSVLN-UHFFFAOYSA-N 0 3 311.433 3.380 40 0 DFABHN Cc1c2ccccc2[nH]c1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257208633 427309505 /nfs/dbraw/zinc/30/95/05/427309505.db2.gz BMYAUPJURLELQA-ROUUACIJSA-N 0 3 300.402 2.592 40 0 DFABHN c1ccc(CO[C@@H]2C[C@H]3CN(Cc4cncnc4)C[C@H]3C2)cc1 ZINC000257208219 427310114 /nfs/dbraw/zinc/31/01/14/427310114.db2.gz BLERBFPQQIUFQV-BWTSREIZSA-N 0 3 309.413 2.904 40 0 DFABHN Cc1c[nH]c([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257209336 427311549 /nfs/dbraw/zinc/31/15/49/427311549.db2.gz BPZYFTCSJGARSV-HNNXBMFYSA-N 0 3 313.401 2.869 40 0 DFABHN CNC(=O)c1sc2nccnc2c1C1CCN(C(C)C)CC1 ZINC000257221878 427312662 /nfs/dbraw/zinc/31/26/62/427312662.db2.gz DQXSITFZSBWLTE-UHFFFAOYSA-N 0 3 318.446 2.639 40 0 DFABHN CN1CCC(Cc2cccc(F)c2)(C(=O)NC2CCC2)CC1 ZINC000257213464 427315006 /nfs/dbraw/zinc/31/50/06/427315006.db2.gz CHRHUEITQPVEPQ-UHFFFAOYSA-N 0 3 304.409 2.749 40 0 DFABHN Cc1ccnc([C@@H]2CCN(CCOc3ccc(F)cc3)C2)n1 ZINC000257231091 427317171 /nfs/dbraw/zinc/31/71/71/427317171.db2.gz GFEQCIXGMHBSQQ-CQSZACIVSA-N 0 3 301.365 2.792 40 0 DFABHN CNc1cccc(CC[C@H]2CCCCN2Cc2cnccn2)n1 ZINC000257256418 427325263 /nfs/dbraw/zinc/32/52/63/427325263.db2.gz KLKFCNYAAXUOSM-QGZVFWFLSA-N 0 3 311.433 2.901 40 0 DFABHN c1cc2c(C[C@H]3CCCN(Cc4c[nH]cn4)CC3)nccn2c1 ZINC000257249305 427326136 /nfs/dbraw/zinc/32/61/36/427326136.db2.gz JHPOCFVXQZLPCR-HNNXBMFYSA-N 0 3 309.417 2.902 40 0 DFABHN c1cc2c(C[C@H]3CCCN(Cc4cnc[nH]4)CC3)nccn2c1 ZINC000257249305 427326143 /nfs/dbraw/zinc/32/61/43/427326143.db2.gz JHPOCFVXQZLPCR-HNNXBMFYSA-N 0 3 309.417 2.902 40 0 DFABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1cccc(OCCO)c1 ZINC000257261835 427328203 /nfs/dbraw/zinc/32/82/03/427328203.db2.gz LIYQHNIFOBLGCW-QGZVFWFLSA-N 0 3 315.417 2.816 40 0 DFABHN Nc1n[nH]c2nc([C@@H]3CCCN(Cc4ccsc4)C3)ccc12 ZINC000257265851 427329109 /nfs/dbraw/zinc/32/91/09/427329109.db2.gz MAQAPGHANDUEHJ-GFCCVEGCSA-N 0 3 313.430 2.981 40 0 DFABHN CCn1nccc1-c1cccc(C2CCN(CCOC)CC2)n1 ZINC000257269007 427329277 /nfs/dbraw/zinc/32/92/77/427329277.db2.gz MOEAABYSQHJVAF-UHFFFAOYSA-N 0 3 314.433 2.791 40 0 DFABHN COc1ccccc1[C@@H]1CNCCN1Cc1csc(C)n1 ZINC000257269948 427333869 /nfs/dbraw/zinc/33/38/69/427333869.db2.gz MSCMDAWUFFLAQU-HNNXBMFYSA-N 0 3 303.431 2.607 40 0 DFABHN Cc1ccc(F)c(NC(=O)[C@H](NC2CCOCC2)C(C)C)c1 ZINC000192957523 427642065 /nfs/dbraw/zinc/64/20/65/427642065.db2.gz JSWDGOLIORHQRS-MRXNPFEDSA-N 0 3 308.397 2.866 40 0 DFABHN Cc1cccc2c1nc1n2[C@@H](CNCc2cccnc2)COC1 ZINC000096112646 274801631 /nfs/dbraw/zinc/80/16/31/274801631.db2.gz GBYRMIMWVIFAJH-HNNXBMFYSA-N 0 3 308.385 2.601 40 0 biogenic,in-vitro DFABHN O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccc1 ZINC000306136291 275031497 /nfs/dbraw/zinc/03/14/97/275031497.db2.gz POYRUPBRYPGQPQ-RTBURBONSA-N 0 3 321.424 2.779 40 0 DFABHN COCC[C@@H]1CCOC12CCN(Cc1scnc1C)CC2 ZINC000248019129 277548584 /nfs/dbraw/zinc/54/85/84/277548584.db2.gz ILZMZMWCYFOMAC-CQSZACIVSA-N 0 3 310.463 2.859 40 0 DFABHN CN(C)C[C@@H]1CCn2nccc2CN1Cc1cccc2[nH]ccc21 ZINC000585096993 430479381 /nfs/dbraw/zinc/47/93/81/430479381.db2.gz GLNWAKSXWRKWSM-INIZCTEOSA-N 0 3 323.444 2.701 40 0 DFABHN Cc1nc(Cl)cc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 ZINC000084271800 279085721 /nfs/dbraw/zinc/08/57/21/279085721.db2.gz HXGZQTRKAGWLNV-CQSZACIVSA-N 0 3 324.856 2.520 40 0 DFABHN Cc1nc(Cn2ccnc2[C@H]2CNCc3ccccc32)cs1 ZINC000306133227 281911982 /nfs/dbraw/zinc/91/19/82/281911982.db2.gz MFXUJPBZBYFVJD-INIZCTEOSA-N 0 3 310.426 2.931 40 0 DFABHN CCn1nncc1CN[C@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000579211386 318314678 /nfs/dbraw/zinc/31/46/78/318314678.db2.gz IRYSDSUELUHEIH-ZDUSSCGKSA-N 0 3 309.417 2.735 40 0 DFABHN O=C(CNC[C@H]1CCCO1)Nc1ccc(OC2CCCC2)cc1 ZINC000195543147 323284243 /nfs/dbraw/zinc/28/42/43/323284243.db2.gz GVWZGHONWUJJNL-QGZVFWFLSA-N 0 3 318.417 2.715 40 0 DFABHN CCSc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000078870249 185121303 /nfs/dbraw/zinc/12/13/03/185121303.db2.gz JTMOIPIXEYPNQG-TZMCWYRMSA-N 0 3 307.463 2.748 40 0 DFABHN CCN1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000078926076 185130050 /nfs/dbraw/zinc/13/00/50/185130050.db2.gz ZSXCQAZRHDPLBY-GJZGRUSLSA-N 0 3 304.438 2.658 40 0 DFABHN CC(=O)NCCCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000079305602 185164127 /nfs/dbraw/zinc/16/41/27/185164127.db2.gz HSAUSXMTPPXJFL-UHFFFAOYSA-N 0 3 319.449 2.692 40 0 DFABHN c1coc(CN2C[C@@H]3Cc4nc(NCC5CC5)ncc4[C@H]3C2)c1 ZINC000306135948 231086926 /nfs/dbraw/zinc/08/69/26/231086926.db2.gz PFAQMQIIIRWRQL-BBRMVZONSA-N 0 3 310.401 2.663 40 0 DFABHN COc1cc(NC(=O)[C@@H]2CCCN(C)C2)c(OC)cc1Cl ZINC000082338194 185176347 /nfs/dbraw/zinc/17/63/47/185176347.db2.gz MSRGSSHETGFECV-SNVBAGLBSA-N 0 3 312.797 2.638 40 0 DFABHN CO[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1Cc1ccc(F)cc1 ZINC000585275038 398437922 /nfs/dbraw/zinc/43/79/22/398437922.db2.gz UPUAKCIZBOJGHB-IRXDYDNUSA-N 0 3 303.381 2.771 40 0 DFABHN CO[C@@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1F ZINC000585275184 398437973 /nfs/dbraw/zinc/43/79/73/398437973.db2.gz ZHLZCQRKQPBSJU-CRAIPNDOSA-N 0 3 317.408 2.937 40 0 DFABHN OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1ccc(Cl)cc1 ZINC000585293334 398440484 /nfs/dbraw/zinc/44/04/84/398440484.db2.gz UVNRPZCGXNDOAG-KZNAEPCWSA-N 0 3 317.816 2.661 40 0 DFABHN NC(=O)N1CCC(NCc2cnc(-c3cccs3)s2)CC1 ZINC000083468462 192370846 /nfs/dbraw/zinc/37/08/46/192370846.db2.gz LBALLDSPMBGGRZ-UHFFFAOYSA-N 0 3 322.459 2.504 40 0 DFABHN OCc1ccc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000080341994 192150137 /nfs/dbraw/zinc/15/01/37/192150137.db2.gz ZCSPCJXZETVQNU-CYBMUJFWSA-N 0 3 306.793 2.794 40 0 DFABHN Cn1cc([C@@H]2OCC[C@H]2CNCc2csc(C3CC3)n2)cn1 ZINC000084317600 282644642 /nfs/dbraw/zinc/64/46/42/282644642.db2.gz KOWFLXVNEKTSJS-SWLSCSKDSA-N 0 3 318.446 2.621 40 0 DFABHN c1nncn1-c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000072228507 191076931 /nfs/dbraw/zinc/07/69/31/191076931.db2.gz IRHSCQMCYNTSNX-UHFFFAOYSA-N 0 3 319.412 2.590 40 0 DFABHN COc1cc(C)c(C(=O)NC2CCN(C)CC2)cc1C(C)C ZINC000225669530 186288301 /nfs/dbraw/zinc/28/83/01/186288301.db2.gz LSLVNTXGEKIFTD-UHFFFAOYSA-N 0 3 304.434 2.951 40 0 DFABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000072324802 191123365 /nfs/dbraw/zinc/12/33/65/191123365.db2.gz JGUNZNOVQQBWJF-KGYLQXTDSA-N 0 3 315.244 2.633 40 0 DFABHN COCCN1CCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072354636 191129245 /nfs/dbraw/zinc/12/92/45/191129245.db2.gz LFNMNRHKHMXNHC-OAHLLOKOSA-N 0 3 316.380 2.648 40 0 DFABHN OCCN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359287 191130585 /nfs/dbraw/zinc/13/05/85/191130585.db2.gz AENDGNZKYDMGKB-AWEZNQCLSA-N 0 3 317.820 2.969 40 0 DFABHN Cc1cccc(C[C@@H]2COCCN(Cc3ccc(O)cc3)C2)n1 ZINC000072388176 191146629 /nfs/dbraw/zinc/14/66/29/191146629.db2.gz WKJWMQUILQZEGE-KRWDZBQOSA-N 0 3 312.413 2.787 40 0 DFABHN CCOC(=S)SCC(=O)NC(=O)Nc1cccc(C)c1 ZINC000005462399 181246104 /nfs/dbraw/zinc/24/61/04/181246104.db2.gz HHUVPLRTBDUFKO-UHFFFAOYSA-N 0 3 312.416 2.698 40 0 DFABHN COc1cc2cccc3c2c(c1)C(=O)N(CCN1CCCC1)C3=O ZINC000005640618 181267429 /nfs/dbraw/zinc/26/74/29/181267429.db2.gz ZUQGGIPILNWNRC-UHFFFAOYSA-N 0 3 324.380 2.540 40 0 DFABHN Cc1ccc(CNCc2cccc(OCC(N)=O)c2)cc1Cl ZINC000195444735 201391517 /nfs/dbraw/zinc/39/15/17/201391517.db2.gz RJMISXTZJTXEPM-UHFFFAOYSA-N 0 3 318.804 2.802 40 0 DFABHN c1ccc(CCCN2CC3(C2)CO[C@H](Cc2cncnc2)C3)cc1 ZINC000257235222 202969399 /nfs/dbraw/zinc/96/93/99/202969399.db2.gz GWYCMRNDLZDPDK-LJQANCHMSA-N 0 3 323.440 2.743 40 0 DFABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CC3CCCC3)CCO2)c1 ZINC000257306410 203032036 /nfs/dbraw/zinc/03/20/36/203032036.db2.gz SUEQAHDTIOKZQP-KRWDZBQOSA-N 0 3 317.433 2.912 40 0 DFABHN CN1C(=O)CCC[C@@H]2CN(CCOc3ccc(F)cc3)CC[C@H]21 ZINC000257284283 203011517 /nfs/dbraw/zinc/01/15/17/203011517.db2.gz PCAVJVZCKGLDAS-RHSMWYFYSA-N 0 3 320.408 2.537 40 0 DFABHN CO[C@H]1CN(CC2=Cc3ccccc3OC2)CC[C@@]12CCCO2 ZINC000257288509 203016533 /nfs/dbraw/zinc/01/65/33/203016533.db2.gz PUKRLGCBWUSMAB-OALUTQOASA-N 0 3 315.413 2.732 40 0 DFABHN COCCN1CCC[C@@H](c2cccc(-c3cc(C)[nH]n3)n2)C1 ZINC000257333380 203055535 /nfs/dbraw/zinc/05/55/35/203055535.db2.gz YBICRIIMPKJROA-CQSZACIVSA-N 0 3 300.406 2.606 40 0 DFABHN c1cc2c(cccc2C[C@@H]2COCCN(Cc3cnc[nH]3)C2)o1 ZINC000257336998 203057109 /nfs/dbraw/zinc/05/71/09/203057109.db2.gz YQYCRVLBUSPEQF-AWEZNQCLSA-N 0 3 311.385 2.847 40 0 DFABHN Cc1cc(N2C(=O)OC[C@@H]2C)nc(C2CCN(C(C)C)CC2)n1 ZINC000257323427 203048032 /nfs/dbraw/zinc/04/80/32/203048032.db2.gz WKCMGJAPTUDSHY-ZDUSSCGKSA-N 0 3 318.421 2.718 40 0 DFABHN COc1ccccc1[C@H]1CNCCN1Cc1scnc1C ZINC000257342010 203065800 /nfs/dbraw/zinc/06/58/00/203065800.db2.gz ZMSFUNQFLJCYIE-CQSZACIVSA-N 0 3 303.431 2.607 40 0 DFABHN COCCN1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 ZINC000257343949 203066267 /nfs/dbraw/zinc/06/62/67/203066267.db2.gz ZVBSPWLORPQMPI-MRXNPFEDSA-N 0 3 312.417 2.899 40 0 DFABHN CCS(=O)(=O)C[C@H](C)N[C@@H]1C[C@@H]2CCCc3cccc1c32 ZINC000195549919 399183753 /nfs/dbraw/zinc/18/37/53/399183753.db2.gz FMZFWXOWLBQHGL-DUVNUKRYSA-N 0 3 307.459 2.964 40 0 DFABHN CC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019021216 182103982 /nfs/dbraw/zinc/10/39/82/182103982.db2.gz QHOGGXYRZJGYLR-UHFFFAOYSA-N 0 3 306.837 2.972 40 0 DFABHN Cc1c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cnn1C ZINC000019553714 182129460 /nfs/dbraw/zinc/12/94/60/182129460.db2.gz NFAGVUOJZLATLT-OAHLLOKOSA-N 0 3 309.417 2.984 40 0 DFABHN Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]c(=O)c1C ZINC000019555369 182130321 /nfs/dbraw/zinc/13/03/21/182130321.db2.gz XLZNZQOVJXSSBB-HNNXBMFYSA-N 0 3 315.392 2.905 40 0 DFABHN Cn1cnc2ccc(NC(=O)C3CN(C4CCCCC4)C3)cc21 ZINC000019747554 182142804 /nfs/dbraw/zinc/14/28/04/182142804.db2.gz MOWOPVYWYGPBQI-UHFFFAOYSA-N 0 3 312.417 2.776 40 0 DFABHN COc1ccc2[nH]c(=O)c(CNCc3cccs3)cc2c1 ZINC000057466955 184039493 /nfs/dbraw/zinc/03/94/93/184039493.db2.gz ZWOILIUIYMSJDV-UHFFFAOYSA-N 0 3 300.383 2.888 40 0 DFABHN O=C1c2cc3c(cc2CC[C@@H]1CN1CCCCC1)OCCO3 ZINC000005511151 285015296 /nfs/dbraw/zinc/01/52/96/285015296.db2.gz CSLJRPOTQZPSSN-CQSZACIVSA-N 0 3 301.386 2.689 40 0 DFABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCN(C(C)C)CC1 ZINC000072222673 257123724 /nfs/dbraw/zinc/12/37/24/257123724.db2.gz IHQMZQAKPSDBGL-LJQANCHMSA-N 0 3 324.472 2.969 40 0 DFABHN CC[C@H](OC[C@@H](O)CN(C)C)c1ccc(Br)cc1 ZINC000072210035 257128364 /nfs/dbraw/zinc/12/83/64/257128364.db2.gz LNXNUAULYINQFB-KBPBESRZSA-N 0 3 316.239 2.839 40 0 DFABHN CCOCCCNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000523 257230615 /nfs/dbraw/zinc/23/06/15/257230615.db2.gz JDJXVIDQGFMBLJ-UHFFFAOYSA-N 0 3 320.311 2.540 40 0 DFABHN OC[C@@]12CN(Cc3ccccc3)C[C@@H]1c1c(F)cccc1OC2 ZINC000642881918 543504606 /nfs/dbraw/zinc/50/46/06/543504606.db2.gz DWWZCQAJBKGGCO-DNVCBOLYSA-N 0 3 313.372 2.796 40 0 DFABHN CCCNCC(=O)Nc1ccc(C(=O)OC(C)(C)CC)cc1 ZINC000001671742 425584691 /nfs/dbraw/zinc/58/46/91/425584691.db2.gz GTPQGOHAZRLYBO-UHFFFAOYSA-N 0 3 306.406 2.970 40 0 DFABHN CCCCCOC(=O)c1ccc(NC(=O)CNCCC)cc1 ZINC000001671734 425585549 /nfs/dbraw/zinc/58/55/49/425585549.db2.gz QPFWVIDULPZEDJ-UHFFFAOYSA-N 0 3 306.406 2.972 40 0 DFABHN CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000001845565 425586629 /nfs/dbraw/zinc/58/66/29/425586629.db2.gz NXZBCTBWEOZHEA-UHFFFAOYSA-N 0 3 324.424 2.989 40 0 DFABHN CC(=O)c1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 ZINC000009876451 425694900 /nfs/dbraw/zinc/69/49/00/425694900.db2.gz OBPYFLDCGXVHJO-CYBMUJFWSA-N 0 3 305.447 2.517 40 0 DFABHN CC(C)(C)C(=O)N1CCc2cc([C@H](O)CN3CCCC3)ccc21 ZINC000012181137 425721262 /nfs/dbraw/zinc/72/12/62/425721262.db2.gz SCIXIOLDLJBAIK-QGZVFWFLSA-N 0 3 316.445 2.751 40 0 DFABHN CC(C)c1cc(C(=O)NC(C)(C)CN2CCCC[C@H]2C)n(C)n1 ZINC000012203211 425721999 /nfs/dbraw/zinc/72/19/99/425721999.db2.gz AZKJIERVECKSEA-CQSZACIVSA-N 0 3 320.481 2.926 40 0 DFABHN O=C(Cc1cccs1)NCCCN1CCc2ccccc2C1 ZINC000046239340 425864653 /nfs/dbraw/zinc/86/46/53/425864653.db2.gz AHPNRUDFDOEQGD-UHFFFAOYSA-N 0 3 314.454 2.855 40 0 DFABHN Cc1cc2c(cc1CN1CC[C@@](O)(c3ccccc3)C1)OCO2 ZINC000036743623 425846226 /nfs/dbraw/zinc/84/62/26/425846226.db2.gz AQEJFWIPAGKVCM-IBGZPJMESA-N 0 3 311.381 2.817 40 0 DFABHN Cc1noc(C)c1CN1CCC2(CC1)c1ccccc1NC2=O ZINC000107465610 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ZINC000096068355 426395401 /nfs/dbraw/zinc/39/54/01/426395401.db2.gz KVADNQBYAJYHRM-QGZVFWFLSA-N 0 3 321.465 2.511 40 0 DFABHN c1coc(CN2CCc3ncnc(-c4cccnc4)c3CC2)c1 ZINC000096083987 426395727 /nfs/dbraw/zinc/39/57/27/426395727.db2.gz MFSKCNYKKNHHPJ-UHFFFAOYSA-N 0 3 306.369 2.732 40 0 DFABHN COc1ccccc1C1(N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000096029460 426389158 /nfs/dbraw/zinc/38/91/58/426389158.db2.gz VUUGURVSNBTBKX-UHFFFAOYSA-N 0 3 306.406 2.880 40 0 DFABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccccc1OC)C2 ZINC000096039139 426389329 /nfs/dbraw/zinc/38/93/29/426389329.db2.gz KVTRGWAYQHOSKL-ZWKOTPCHSA-N 0 3 305.418 2.713 40 0 DFABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096038994 426389437 /nfs/dbraw/zinc/38/94/37/426389437.db2.gz ITOPJISNORFFIT-ROUUACIJSA-N 0 3 305.418 2.713 40 0 DFABHN c1cncc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096057008 426392370 /nfs/dbraw/zinc/39/23/70/426392370.db2.gz FNQHSACBUWAPRU-RBUKOAKNSA-N 0 3 316.445 2.879 40 0 DFABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1ccsc1 ZINC000096053681 426392595 /nfs/dbraw/zinc/39/25/95/426392595.db2.gz BVBHKXCUQBZQSJ-JSGCOSHPSA-N 0 3 304.440 2.904 40 0 DFABHN CN(Cc1ccco1)[C@H]1CCC12CCN(c1ncccn1)CC2 ZINC000096051573 426392624 /nfs/dbraw/zinc/39/26/24/426392624.db2.gz ZOOCINHQCKKADZ-INIZCTEOSA-N 0 3 312.417 2.951 40 0 DFABHN c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)ccn1 ZINC000096057009 426393318 /nfs/dbraw/zinc/39/33/18/426393318.db2.gz DUKHZAFUFCEBLM-RTBURBONSA-N 0 3 316.445 2.879 40 0 DFABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)N(C)C)C3)o1 ZINC000096215514 426408398 /nfs/dbraw/zinc/40/83/98/426408398.db2.gz YGHZCZOMEFWWTR-KRWDZBQOSA-N 0 3 305.422 2.558 40 0 DFABHN Cc1ccsc1CN1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC000096220462 426408658 /nfs/dbraw/zinc/40/86/58/426408658.db2.gz QSXPKJGIOSGMHA-MELADBBJSA-N 0 3 319.430 2.580 40 0 DFABHN c1ccc(N[C@@H]2CCO[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096218345 426408924 /nfs/dbraw/zinc/40/89/24/426408924.db2.gz IUURGORDOBZRLJ-IEBWSBKVSA-N 0 3 324.428 2.712 40 0 DFABHN Cc1ccsc1CN1C[C@@H]2C[C@H](Cc3nnc(C)o3)O[C@@H]2C1 ZINC000096218924 426409761 /nfs/dbraw/zinc/40/97/61/426409761.db2.gz FIYRDJRIPYVTHE-BFHYXJOUSA-N 0 3 319.430 2.580 40 0 DFABHN O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1ccco1)C2 ZINC000096224514 426409780 /nfs/dbraw/zinc/40/97/80/426409780.db2.gz BMGTTZCSKHICGR-SFHVURJKSA-N 0 3 311.385 2.694 40 0 DFABHN c1cncc(CN2CCc3ncnc(-c4ccncc4)c3CC2)c1 ZINC000096255236 426410599 /nfs/dbraw/zinc/41/05/99/426410599.db2.gz IXKSUOKLEIWWMT-UHFFFAOYSA-N 0 3 317.396 2.534 40 0 DFABHN O=C(C[C@@H]1CNCCO1)Nc1cccc(Oc2ccccc2)c1 ZINC000195531124 426537310 /nfs/dbraw/zinc/53/73/10/426537310.db2.gz RVWLPZITQOPOQI-QGZVFWFLSA-N 0 3 312.369 2.796 40 0 DFABHN Cc1c(CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)cnn1C ZINC000195555546 426539161 /nfs/dbraw/zinc/53/91/61/426539161.db2.gz RKHIQCNLZCQKGF-WFASDCNBSA-N 0 3 322.453 2.606 40 0 DFABHN Cc1cccc([C@H](NC(=O)C[C@@H]2CNCCO2)C(C)(C)C)c1 ZINC000195543641 426539201 /nfs/dbraw/zinc/53/92/01/426539201.db2.gz VQODBJPPTSFOAA-WBVHZDCISA-N 0 3 304.434 2.577 40 0 DFABHN COc1cccc(CCNCc2cnn(C)c2C(F)(F)F)c1 ZINC000256050290 427304479 /nfs/dbraw/zinc/30/44/79/427304479.db2.gz DMVUGQBOUZAZJM-UHFFFAOYSA-N 0 3 313.323 2.780 40 0 DFABHN Cn1cc(CN2CCC(Cc3cnc4[nH]ccc4c3)CC2)cn1 ZINC000257220212 427313344 /nfs/dbraw/zinc/31/33/44/427313344.db2.gz DKAGUVFBWYZDEV-UHFFFAOYSA-N 0 3 309.417 2.751 40 0 DFABHN COc1cccc(F)c1CN1CC[C@@H](c2nc(C)cn2C)C1 ZINC000257246928 427320080 /nfs/dbraw/zinc/32/00/80/427320080.db2.gz IWPSIYVDTAHPIR-CYBMUJFWSA-N 0 3 303.381 2.866 40 0 DFABHN COc1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)cc(OC)c1 ZINC000257239756 427322049 /nfs/dbraw/zinc/32/20/49/427322049.db2.gz HQRBNLXSEDISEN-CQSZACIVSA-N 0 3 301.390 2.725 40 0 DFABHN Cc1cc(-n2ccnc2)ccc1CN1CCC[C@@H](n2cncn2)C1 ZINC000192009620 427461768 /nfs/dbraw/zinc/46/17/68/427461768.db2.gz UHMDKXRLUKDWCV-GOSISDBHSA-N 0 3 322.416 2.609 40 0 DFABHN Cc1ccc(CN2CCC3(CC2)c2ncc(C)n2CCN3C)o1 ZINC000096036998 280813694 /nfs/dbraw/zinc/81/36/94/280813694.db2.gz HJKBBGLEMQCGRS-UHFFFAOYSA-N 0 3 314.433 2.530 40 0 DFABHN CNCC(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000193138550 323251775 /nfs/dbraw/zinc/25/17/75/323251775.db2.gz ZXCQDCWPXHZAHL-ZDUSSCGKSA-N 0 3 310.397 2.513 40 0 DFABHN CC(=O)Nc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1C ZINC000195329514 323280842 /nfs/dbraw/zinc/28/08/42/323280842.db2.gz RKJHPWSJFVTLQO-UHFFFAOYSA-N 0 3 315.417 2.766 40 0 DFABHN COc1cc(OC)cc(N2CC[C@H](NCc3ccco3)C2)c1 ZINC000078996577 185143637 /nfs/dbraw/zinc/14/36/37/185143637.db2.gz GCYXXAURMDJSJG-ZDUSSCGKSA-N 0 3 302.374 2.665 40 0 DFABHN c1cc(CN2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)cs1 ZINC000306134219 231087748 /nfs/dbraw/zinc/08/77/48/231087748.db2.gz NFYNUHAYNSQBGV-BZUAXINKSA-N 0 3 315.442 2.702 40 0 DFABHN CC(C)CCN1CCC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000585101206 398431980 /nfs/dbraw/zinc/43/19/80/398431980.db2.gz NQYFQHONQCYMQD-KRWDZBQOSA-N 0 3 309.454 2.510 40 0 DFABHN CC(C)N1C[C@]2(CC1=O)COCCN([C@H](C)c1ccccc1)C2 ZINC000585103423 398432197 /nfs/dbraw/zinc/43/21/97/398432197.db2.gz 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/nfs/dbraw/zinc/14/47/77/191144777.db2.gz GJZVBACVMIRXGU-INIZCTEOSA-N 0 3 301.434 2.763 40 0 DFABHN Fc1cccc(CN2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393820 191149743 /nfs/dbraw/zinc/14/97/43/191149743.db2.gz ZYKBNZHVIOHFOH-ZDUSSCGKSA-N 0 3 311.364 2.872 40 0 DFABHN c1nc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c[nH]1 ZINC000193386572 201043054 /nfs/dbraw/zinc/04/30/54/201043054.db2.gz BYIOWGXZFNKPSU-AWEZNQCLSA-N 0 3 308.389 2.574 40 0 DFABHN c1ncc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)[nH]1 ZINC000193386572 201043057 /nfs/dbraw/zinc/04/30/57/201043057.db2.gz BYIOWGXZFNKPSU-AWEZNQCLSA-N 0 3 308.389 2.574 40 0 DFABHN CN(CCSc1nccn(C2CC2)c1=O)Cc1ccccc1 ZINC000193746201 201116709 /nfs/dbraw/zinc/11/67/09/201116709.db2.gz MAHQMHNVSQYXDL-UHFFFAOYSA-N 0 3 315.442 2.802 40 0 DFABHN Cc1cc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)no1 ZINC000195266585 201370046 /nfs/dbraw/zinc/37/00/46/201370046.db2.gz BPYKDHPKZXYBHZ-CQSZACIVSA-N 0 3 320.462 2.702 40 0 DFABHN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc(OC)c(O)c2)C1 ZINC000079020737 399009871 /nfs/dbraw/zinc/00/98/71/399009871.db2.gz NEUKBXIJKMZFDG-QTCYRWPVSA-N 0 3 311.447 2.570 40 0 DFABHN CCn1ncc(C)c1CNCCc1ccc(OC)c(OC)c1 ZINC000256049640 202921982 /nfs/dbraw/zinc/92/19/82/202921982.db2.gz ASUIONAAAIHGCR-UHFFFAOYSA-N 0 3 303.406 2.561 40 0 DFABHN Cc1ccc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)cn1 ZINC000257278138 203005468 /nfs/dbraw/zinc/00/54/68/203005468.db2.gz OAYWEBXSSQLWGY-INIZCTEOSA-N 0 3 324.428 2.789 40 0 DFABHN Cc1nccc([C@@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)n1 ZINC000257298208 203022960 /nfs/dbraw/zinc/02/29/60/203022960.db2.gz RKQOYZRMEKJDSX-SFHVURJKSA-N 0 3 324.428 2.824 40 0 DFABHN COc1ccc([C@@H]2CNCCN2Cc2csc(C)n2)cc1 ZINC000257304048 203026948 /nfs/dbraw/zinc/02/69/48/203026948.db2.gz SJWVDZWLCQHAAM-INIZCTEOSA-N 0 3 303.431 2.607 40 0 DFABHN Cc1cc2nccc(C3CCN(Cc4ccncc4)CC3)n2n1 ZINC000257302677 203028309 /nfs/dbraw/zinc/02/83/09/203028309.db2.gz SDVJSOYBTDQWCK-UHFFFAOYSA-N 0 3 307.401 2.812 40 0 DFABHN Cc1cncc(CN2CCC3(CC(Nc4ccncn4)C3)C2)c1 ZINC000257306591 203031391 /nfs/dbraw/zinc/03/13/91/203031391.db2.gz SUYUVARWEGBDII-UHFFFAOYSA-N 0 3 309.417 2.647 40 0 DFABHN CCOc1ccc(CN2CC[C@@H](c3n[nH]cc3C)C2)cc1CO ZINC000257339580 203062470 /nfs/dbraw/zinc/06/24/70/203062470.db2.gz ZCJUNYUHKYNINI-OAHLLOKOSA-N 0 3 315.417 2.599 40 0 DFABHN Cc1nc[nH]c1CN1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257343187 203065347 /nfs/dbraw/zinc/06/53/47/203065347.db2.gz ZRVLWUYMOPORAK-AWEZNQCLSA-N 0 3 324.432 2.688 40 0 DFABHN Cc1ccc(C(=O)CCN2CCCC[C@@H]2Cn2ccnn2)cc1 ZINC000195568732 399188045 /nfs/dbraw/zinc/18/80/45/399188045.db2.gz FUOSWWWCKWTCHE-QGZVFWFLSA-N 0 3 312.417 2.714 40 0 DFABHN O=C1NCCNC[C@@H]1Cc1ccccc1-c1ccc(F)c(F)c1 ZINC000019348587 182118048 /nfs/dbraw/zinc/11/80/48/182118048.db2.gz QOCMYLPWRUJWHV-AWEZNQCLSA-N 0 3 316.351 2.510 40 0 DFABHN O=c1c2ccccc2nnn1C1CCN(Cc2ccccc2)CC1 ZINC000021155677 182267623 /nfs/dbraw/zinc/26/76/23/182267623.db2.gz AKFHYOXNTYCUKT-UHFFFAOYSA-N 0 3 320.396 2.629 40 0 DFABHN CC(C)S(=O)(=O)C(C)C(=O)NCC1CCCCCCC1 ZINC000084622104 542513095 /nfs/dbraw/zinc/51/30/95/542513095.db2.gz AANWSQJJUULHBI-ZDUSSCGKSA-N 0 3 303.468 2.675 40 0 DFABHN CC(C)N1CCN(c2ccc([C@H](O)c3ccccc3)cn2)CC1 ZINC000072225614 257123219 /nfs/dbraw/zinc/12/32/19/257123219.db2.gz FDHWPDBBLMGAHL-LJQANCHMSA-N 0 3 311.429 2.694 40 0 DFABHN COc1ccc2ccccc2c1[C@H](CN)N1C[C@H](C)O[C@@H](C)C1 ZINC000033455601 257129774 /nfs/dbraw/zinc/12/97/74/257129774.db2.gz RHKIELOGOLFZBF-ZQIUZPCESA-N 0 3 314.429 2.957 40 0 DFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1OC ZINC000095533858 257137149 /nfs/dbraw/zinc/13/71/49/257137149.db2.gz CBCQOZDWBBUXQT-MRXNPFEDSA-N 0 3 324.384 2.845 40 0 DFABHN CCOc1cc([C@H](N)c2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000095534448 257138025 /nfs/dbraw/zinc/13/80/25/257138025.db2.gz AIOMJHLKXGVGDD-ZDUSSCGKSA-N 0 3 304.394 2.558 40 0 DFABHN CCOc1cc([C@H](N)c2n[nH]c(C(C)(C)C)n2)ccc1OC ZINC000095534448 257138026 /nfs/dbraw/zinc/13/80/26/257138026.db2.gz AIOMJHLKXGVGDD-ZDUSSCGKSA-N 0 3 304.394 2.558 40 0 DFABHN O=C(Nc1cccc(Cl)c1)OC[C@H](O)CN1CCCCC1 ZINC000002045458 425589105 /nfs/dbraw/zinc/58/91/05/425589105.db2.gz WEROOHVDFVFMFP-CQSZACIVSA-N 0 3 312.797 2.735 40 0 DFABHN O=C(c1cccc(F)c1)N1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000002734954 425599627 /nfs/dbraw/zinc/59/96/27/425599627.db2.gz AATLTRSTZYMCGM-UXLLHSPISA-N 0 3 314.404 2.796 40 0 DFABHN CCOC(=O)c1ccc(-c2ccc(CNC[C@H](C)O)o2)cc1 ZINC000007519973 425645687 /nfs/dbraw/zinc/64/56/87/425645687.db2.gz LYSZBPYXQOFXGL-LBPRGKRZSA-N 0 3 303.358 2.594 40 0 DFABHN CN1CCC[C@H](CNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000009876641 425694938 /nfs/dbraw/zinc/69/49/38/425694938.db2.gz HQWMZLNSPAALTC-ZZFFKQLHSA-N 0 3 305.466 2.596 40 0 DFABHN Fc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)cc1 ZINC000107803345 426003392 /nfs/dbraw/zinc/00/33/92/426003392.db2.gz VVPXTKPUJIKDNF-MSOLQXFVSA-N 0 3 304.409 2.511 40 0 DFABHN CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 ZINC000108533889 426017833 /nfs/dbraw/zinc/01/78/33/426017833.db2.gz VHQFZXJPOFUZNX-MAUKXSAKSA-N 0 3 304.409 2.906 40 0 DFABHN CC[C@H](Oc1cc(C)ccc1C)C(=O)NC1CCN(C)CC1 ZINC000113951913 426124392 /nfs/dbraw/zinc/12/43/92/426124392.db2.gz FLIQYPJKWVQBIB-INIZCTEOSA-N 0 3 304.434 2.671 40 0 DFABHN CC(C)[N@@H+](CC(=O)[O-])CC1CCN(Cc2ccccc2)CC1 ZINC000079393432 426192192 /nfs/dbraw/zinc/19/21/92/426192192.db2.gz JLUOKOYYQNGMFH-UHFFFAOYSA-N 0 3 304.434 2.694 40 0 DFABHN CC(C)[N@H+](CC(=O)[O-])CC1CCN(Cc2ccccc2)CC1 ZINC000079393432 426192195 /nfs/dbraw/zinc/19/21/95/426192195.db2.gz JLUOKOYYQNGMFH-UHFFFAOYSA-N 0 3 304.434 2.694 40 0 DFABHN CN(C)[C@H]1CCCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000083847910 426231004 /nfs/dbraw/zinc/23/10/04/426231004.db2.gz SLLBNMZXINMZLL-FZMZJTMJSA-N 0 3 310.488 2.631 40 0 DFABHN Cc1cc(=O)c(O)c(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1C ZINC000085874833 426254673 /nfs/dbraw/zinc/25/46/73/426254673.db2.gz TVFLESFYAKPJHF-FZKQIMNGSA-N 0 3 304.434 2.800 40 0 DFABHN COc1ccc2nc(CO[C@H]3CN(C(C)C)C[C@H]3F)[nH]c2c1 ZINC000096112269 426399484 /nfs/dbraw/zinc/39/94/84/426399484.db2.gz ALYMILDMMLBVFC-DOMZBBRYSA-N 0 3 307.369 2.519 40 0 biogenic,in-vitro DFABHN Cn1cccc1CN1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096158027 426402109 /nfs/dbraw/zinc/40/21/09/426402109.db2.gz GOFZSHZMDQTMFT-HXUWFJFHSA-N 0 3 324.472 2.908 40 0 DFABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096158630 426403538 /nfs/dbraw/zinc/40/35/38/426403538.db2.gz LCJZSPIXEHSZQL-HNNXBMFYSA-N 0 3 322.836 2.665 40 0 DFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)s1 ZINC000096184596 426404191 /nfs/dbraw/zinc/40/41/91/426404191.db2.gz JPDXUDIJWAZIGI-DLBZAZTESA-N 0 3 316.474 2.639 40 0 DFABHN CN(C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200842 426406234 /nfs/dbraw/zinc/40/62/34/426406234.db2.gz JYTPWVABRXPINW-CVEARBPZSA-N 0 3 315.442 2.531 40 0 DFABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 ZINC000096038992 426389955 /nfs/dbraw/zinc/38/99/55/426389955.db2.gz ITOPJISNORFFIT-MSOLQXFVSA-N 0 3 305.418 2.713 40 0 DFABHN c1ccc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096046955 426390400 /nfs/dbraw/zinc/39/04/00/426390400.db2.gz PJQSRHSHOYOXGL-FQEVSTJZSA-N 0 3 322.456 2.965 40 0 DFABHN c1cc(CN2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)co1 ZINC000096040683 426390458 /nfs/dbraw/zinc/39/04/58/426390458.db2.gz QKKHJPZKORRFEL-JZXOWHBKSA-N 0 3 313.401 2.766 40 0 DFABHN CC(C)CN1CCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096046773 426390658 /nfs/dbraw/zinc/39/06/58/426390658.db2.gz XNEZBSRBCYQUCN-UHFFFAOYSA-N 0 3 301.434 2.552 40 0 DFABHN O=C(c1ccco1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096046490 426391649 /nfs/dbraw/zinc/39/16/49/426391649.db2.gz TYCXCCDSGSEGRU-UHFFFAOYSA-N 0 3 302.399 2.689 40 0 DFABHN Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)c1 ZINC000096055137 426392522 /nfs/dbraw/zinc/39/25/22/426392522.db2.gz VVSTWMQQFNBYAU-AEFFLSMTSA-N 0 3 316.376 2.756 40 0 DFABHN c1ccc(N[C@@H]2CCO[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096206393 426407241 /nfs/dbraw/zinc/40/72/41/426407241.db2.gz XAIUVNAMQRPICW-IEBWSBKVSA-N 0 3 324.428 2.712 40 0 DFABHN O=C1N(c2cccnc2)CC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096224515 426408791 /nfs/dbraw/zinc/40/87/91/426408791.db2.gz BMGTTZCSKHICGR-GOSISDBHSA-N 0 3 311.385 2.694 40 0 DFABHN c1csc(CN2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 ZINC000096218647 426409810 /nfs/dbraw/zinc/40/98/10/426409810.db2.gz WQMSIRWAGYLTBG-NVXWUHKLSA-N 0 3 316.426 2.956 40 0 DFABHN c1csc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)c1 ZINC000096255856 426410644 /nfs/dbraw/zinc/41/06/44/426410644.db2.gz LCQQSMRXACUKGU-UHFFFAOYSA-N 0 3 302.447 2.625 40 0 DFABHN COc1ncccc1CN1CC[C@@H](OC)[C@@H]1Cc1ccccc1 ZINC000096261245 426412650 /nfs/dbraw/zinc/41/26/50/426412650.db2.gz DMENEVJYCPXZDI-ZWKOTPCHSA-N 0 3 312.413 2.922 40 0 DFABHN Cc1ccc(CN2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)s1 ZINC000096215564 426407188 /nfs/dbraw/zinc/40/71/88/426407188.db2.gz AINUJDLTWFDBML-KCQAQPDRSA-N 0 3 319.430 2.580 40 0 DFABHN O=C(c1ccco1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264207692 426517810 /nfs/dbraw/zinc/51/78/10/426517810.db2.gz SEZJAPUVBGXMGZ-UHFFFAOYSA-N 0 3 310.397 2.943 40 0 DFABHN CC[C@H](N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000195542290 426538545 /nfs/dbraw/zinc/53/85/45/426538545.db2.gz JYFJCIBOIWCPJN-ZDUSSCGKSA-N 0 3 300.324 2.934 40 0 DFABHN COCc1nc2n(n1)CCC[C@@H]2NC[C@H](C)c1ccc(F)cc1 ZINC000195573396 426539187 /nfs/dbraw/zinc/53/91/87/426539187.db2.gz VXXOWXKJPSQPMT-WFASDCNBSA-N 0 3 318.396 2.792 40 0 DFABHN C[C@H]1c2ccccc2CCN1c1ccnc(NCCN(C)C)n1 ZINC000328990960 427020914 /nfs/dbraw/zinc/02/09/14/427020914.db2.gz IQULZVZMGHDVAN-AWEZNQCLSA-N 0 3 311.433 2.574 40 0 DFABHN CCNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)n1 ZINC000329027845 427026929 /nfs/dbraw/zinc/02/69/29/427026929.db2.gz PTJQYFKQFHSQJP-LBPRGKRZSA-N 0 3 312.417 2.833 40 0 DFABHN C[C@H]1CN(CCN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CCO1 ZINC000249365961 427110429 /nfs/dbraw/zinc/11/04/29/427110429.db2.gz VVNTVVJJHRQINM-QWHCGFSZSA-N 0 3 308.388 2.618 40 0 DFABHN COc1ccc(CCNCc2cnn(CC(C)C)c2)cc1OC ZINC000256053234 427304230 /nfs/dbraw/zinc/30/42/30/427304230.db2.gz QPQZTLJNVBTHAB-UHFFFAOYSA-N 0 3 317.433 2.889 40 0 DFABHN COc1ccc(CCNCc2ccnn2CC(C)C)cc1OC ZINC000256054385 427304531 /nfs/dbraw/zinc/30/45/31/427304531.db2.gz WAWMDRSKHAYLPQ-UHFFFAOYSA-N 0 3 317.433 2.889 40 0 DFABHN CN(Cc1cccnc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257203201 427310505 /nfs/dbraw/zinc/31/05/05/427310505.db2.gz APASNPVBTAYFNM-QYZOEREBSA-N 0 3 312.413 2.874 40 0 DFABHN CCn1nc(C)c(CN2CC[C@H](c3nc(C)cn3C)C2)c1C ZINC000257226198 427317011 /nfs/dbraw/zinc/31/70/11/427317011.db2.gz FJPMMKHULHCONX-HNNXBMFYSA-N 0 3 301.438 2.551 40 0 DFABHN c1cc(C[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000257254749 427325293 /nfs/dbraw/zinc/32/52/93/427325293.db2.gz KEMWNVQIMCPBPU-AWEZNQCLSA-N 0 3 313.401 2.636 40 0 DFABHN COc1cc(CN2CC[C@@H](c3nc(C)cn3C)C2)ccc1F ZINC000257260427 427329068 /nfs/dbraw/zinc/32/90/68/427329068.db2.gz LCTZCKZUGKWMQU-CQSZACIVSA-N 0 3 303.381 2.866 40 0 DFABHN c1cc2ccc(C[C@H]3COCCN(Cc4cnc[nH]4)C3)cc2o1 ZINC000257326097 427330633 /nfs/dbraw/zinc/33/06/33/427330633.db2.gz WVUPRUNEOUUFSQ-OAHLLOKOSA-N 0 3 311.385 2.847 40 0 DFABHN CCCCc1nc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)c[nH]1 ZINC000257284151 427333029 /nfs/dbraw/zinc/33/30/29/427333029.db2.gz PBJZHZQFMKZIOV-AWEZNQCLSA-N 0 3 301.438 2.930 40 0 DFABHN CCCCc1ncc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)[nH]1 ZINC000257284151 427333033 /nfs/dbraw/zinc/33/30/33/427333033.db2.gz PBJZHZQFMKZIOV-AWEZNQCLSA-N 0 3 301.438 2.930 40 0 DFABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096158728 276339872 /nfs/dbraw/zinc/33/98/72/276339872.db2.gz GQZQWFKTJNXQRQ-KRWDZBQOSA-N 0 3 305.418 2.855 40 0 DFABHN CC[C@H](C)N1C[C@]2(CCCN(Cc3cnc(C)s3)C2)C1=O ZINC000585099512 430478866 /nfs/dbraw/zinc/47/88/66/430478866.db2.gz PKQXHZJIFBAULM-BLLLJJGKSA-N 0 3 307.463 2.674 40 0 DFABHN Cc1ccccc1[C@@H]1CN(C(=O)C[C@@H](N)c2ccccc2)CCO1 ZINC000195544221 323284059 /nfs/dbraw/zinc/28/40/59/323284059.db2.gz OHHMJDCKBIBCHD-MOPGFXCFSA-N 0 3 324.424 2.985 40 0 DFABHN CC[C@H](N)C(=O)N1CCC(CCc2ccc(OC)cc2)CC1 ZINC000195542260 323284076 /nfs/dbraw/zinc/28/40/76/323284076.db2.gz DYTLLLOCMNYYHS-KRWDZBQOSA-N 0 3 304.434 2.604 40 0 DFABHN CC[C@H](N)C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000195554805 323284179 /nfs/dbraw/zinc/28/41/79/323284179.db2.gz XBGJIPXVRJQWHW-OCCSQVGLSA-N 0 3 310.825 2.695 40 0 DFABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCCC[C@H]3C)ccc21 ZINC000248068778 341372851 /nfs/dbraw/zinc/37/28/51/341372851.db2.gz FOLIBANCCVPVAU-KDOFPFPSSA-N 0 3 316.445 2.894 40 0 DFABHN CN(C)C[C@@H]1CCC[C@]2(CCN(C(=O)C3=CCCCC3)C2)O1 ZINC000096218642 282119541 /nfs/dbraw/zinc/11/95/41/282119541.db2.gz IMYCHFSATVDODR-FUHWJXTLSA-N 0 3 306.450 2.589 40 0 DFABHN O=C(CN[C@H](c1ccccc1)C1CCCC1)NC1CCOCC1 ZINC000078923041 185129285 /nfs/dbraw/zinc/12/92/85/185129285.db2.gz ZPNMKOIGTJWUPJ-LJQANCHMSA-N 0 3 316.445 2.803 40 0 DFABHN C[C@H](OCC1CC1)C(=O)Nc1cnccc1N1CCCCC1 ZINC000079041121 185148334 /nfs/dbraw/zinc/14/83/34/185148334.db2.gz JYAMWCUTMFUQDQ-ZDUSSCGKSA-N 0 3 303.406 2.826 40 0 DFABHN Fc1ccc(CN2CCC(n3cnc4nccnc43)CC2)cc1 ZINC000306124012 231083700 /nfs/dbraw/zinc/08/37/00/231083700.db2.gz BDBHAKSULXNWMF-UHFFFAOYSA-N 0 3 311.364 2.803 40 0 DFABHN COCCN1CC[C@@]12CCCN(C(=O)c1ccc(C)cc1C)C2 ZINC000585101725 398432478 /nfs/dbraw/zinc/43/24/78/398432478.db2.gz BQDHJIUVZFXHDR-LJQANCHMSA-N 0 3 316.445 2.630 40 0 DFABHN C(O[C@@H]1CSC2(CN(CC3CCC3)C2)C1)C1CCOCC1 ZINC000585105477 398432918 /nfs/dbraw/zinc/43/29/18/398432918.db2.gz XJSPUNLZOZAUEL-INIZCTEOSA-N 0 3 311.491 2.790 40 0 DFABHN C[C@@H](c1cnccn1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072203841 191076083 /nfs/dbraw/zinc/07/60/83/191076083.db2.gz KMIPOVWNURJNBE-ZDUSSCGKSA-N 0 3 320.437 2.869 40 0 DFABHN OCCN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359285 191129919 /nfs/dbraw/zinc/12/99/19/191129919.db2.gz DIEOCVOXCDHNJA-UHFFFAOYSA-N 0 3 317.820 2.969 40 0 DFABHN c1cn([C@@H]2CO[C@@]3(C2)CCCN(Cc2ccsc2)C3)cn1 ZINC000096048551 398659240 /nfs/dbraw/zinc/65/92/40/398659240.db2.gz HSTSFANUTXQSLQ-JKSUJKDBSA-N 0 3 303.431 2.941 40 0 DFABHN Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372997 191139045 /nfs/dbraw/zinc/13/90/45/191139045.db2.gz CAJMEUNSOJSNPG-JKSUJKDBSA-N 0 3 309.413 2.931 40 0 DFABHN Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1 ZINC000072372997 191139047 /nfs/dbraw/zinc/13/90/47/191139047.db2.gz CAJMEUNSOJSNPG-JKSUJKDBSA-N 0 3 309.413 2.931 40 0 DFABHN Cc1nc(C(=O)NCc2ccccc2)cc([C@H]2CCCN(C)C2)n1 ZINC000072382870 191143298 /nfs/dbraw/zinc/14/32/98/191143298.db2.gz VLUGILJOPQJAPK-INIZCTEOSA-N 0 3 324.428 2.524 40 0 DFABHN c1cncc(CN2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389954 191147169 /nfs/dbraw/zinc/14/71/69/191147169.db2.gz WHECRPVVQVIFKR-MRXNPFEDSA-N 0 3 321.384 2.906 40 0 DFABHN CNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 ZINC000004887989 181168659 /nfs/dbraw/zinc/16/86/59/181168659.db2.gz AJVWNWKMKOEJSP-ALOPSCKCSA-N 0 3 317.502 2.974 40 0 DFABHN C[C@H]1[C@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C ZINC000005464504 181246873 /nfs/dbraw/zinc/24/68/73/181246873.db2.gz MOSYSGPJTJMMDV-JQHSSLGASA-N 0 3 318.461 2.763 40 0 DFABHN C[C@@H]1[C@@H](c2ccccc2)O[C@H](N2CCOCC2)C(C)(C)CN1C ZINC000005464505 181246927 /nfs/dbraw/zinc/24/69/27/181246927.db2.gz MOSYSGPJTJMMDV-NJAFHUGGSA-N 0 3 318.461 2.763 40 0 DFABHN CCS(=O)(=O)c1ccccc1N[C@H]1CCC[C@H](N(C)C)C1 ZINC000195576236 201417913 /nfs/dbraw/zinc/41/79/13/201417913.db2.gz BNHHTMDUPOEXFU-KBPBESRZSA-N 0 3 310.463 2.765 40 0 DFABHN Cc1nc(C(=O)N2CCCC[C@H]2C)cc(C2CCN(C)CC2)n1 ZINC000257280152 203008331 /nfs/dbraw/zinc/00/83/31/203008331.db2.gz OJRXKGAILUOOIP-CYBMUJFWSA-N 0 3 316.449 2.609 40 0 DFABHN CN1C(=O)CCC[C@H]2CN(CCOc3ccc(F)cc3)CC[C@H]21 ZINC000257284284 203012410 /nfs/dbraw/zinc/01/24/10/203012410.db2.gz PCAVJVZCKGLDAS-WMLDXEAASA-N 0 3 320.408 2.537 40 0 DFABHN Cc1ncsc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C ZINC000257290523 203014819 /nfs/dbraw/zinc/01/48/19/203014819.db2.gz QDHMJSCEKRHNSP-BBRMVZONSA-N 0 3 307.463 2.931 40 0 DFABHN Cn1cc(CN2CCC3(CC2)OCCC[C@@H]3O)c2ccccc21 ZINC000257332615 203055418 /nfs/dbraw/zinc/05/54/18/203055418.db2.gz XYANWFZUBQCMES-SFHVURJKSA-N 0 3 314.429 2.684 40 0 DFABHN COc1ccc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)c(OC)c1 ZINC000257321367 203044885 /nfs/dbraw/zinc/04/48/85/203044885.db2.gz WBJOCKCWHQSHPH-AWEZNQCLSA-N 0 3 315.417 2.882 40 0 DFABHN COc1ccc(CN2CCC[C@H](Cc3cc[nH]n3)C2)c(OC)c1 ZINC000257321368 203046268 /nfs/dbraw/zinc/04/62/68/203046268.db2.gz WBJOCKCWHQSHPH-CQSZACIVSA-N 0 3 315.417 2.882 40 0 DFABHN c1ccc(CCN2CC3(C2)CO[C@@H](Cc2cccnc2)C3)cc1 ZINC000257323504 203047314 /nfs/dbraw/zinc/04/73/14/203047314.db2.gz WKMCGMVDNNZGNC-IBGZPJMESA-N 0 3 308.425 2.958 40 0 DFABHN Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@@H]3C)c(=O)c2c1 ZINC000019219796 182108114 /nfs/dbraw/zinc/10/81/14/182108114.db2.gz PVKHVPQESLXAED-GOEBONIOSA-N 0 3 312.413 2.770 40 0 DFABHN Cc1nn(C)cc1-c1cncn1Cc1ccccc1CN(C)C ZINC000019719442 182137804 /nfs/dbraw/zinc/13/78/04/182137804.db2.gz YFRSWYHOEPIJDA-UHFFFAOYSA-N 0 3 309.417 2.702 40 0 DFABHN CN(C)CCN(Cc1ccncc1)Cc1cc(F)cc(F)c1 ZINC000019582694 182132608 /nfs/dbraw/zinc/13/26/08/182132608.db2.gz OFYCCOPTBHXSRP-UHFFFAOYSA-N 0 3 305.372 2.924 40 0 DFABHN CCC(CC)N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000019889982 182160969 /nfs/dbraw/zinc/16/09/69/182160969.db2.gz ZHVXWWLIGUJNQU-UHFFFAOYSA-N 0 3 322.449 2.716 40 0 DFABHN C[C@H]1CN([C@@H](CN)c2ccccc2OC(F)(F)F)C[C@H](C)O1 ZINC000062712701 184248885 /nfs/dbraw/zinc/24/88/85/184248885.db2.gz CJAJZFIMGRQREW-GVXVVHGQSA-N 0 3 318.339 2.694 40 0 DFABHN Cn1cc([C@@H]2OCC[C@@H]2CNCc2csc(C3CC3)n2)cn1 ZINC000084317606 542508114 /nfs/dbraw/zinc/50/81/14/542508114.db2.gz KOWFLXVNEKTSJS-IUODEOHRSA-N 0 3 318.446 2.621 40 0 DFABHN CCN(CC)c1ncc(CNC[C@H]2CCCn3ccnc32)s1 ZINC000084774533 542514742 /nfs/dbraw/zinc/51/47/42/542514742.db2.gz PLRIYVJLADVNOJ-CYBMUJFWSA-N 0 3 319.478 2.853 40 0 DFABHN O[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(-n2ccnc2)cc1 ZINC000085333869 542515902 /nfs/dbraw/zinc/51/59/02/542515902.db2.gz DTVIGIGNFDKWOK-OALUTQOASA-N 0 3 305.381 2.620 40 0 DFABHN CC(C)N1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216603 257125190 /nfs/dbraw/zinc/12/51/90/257125190.db2.gz VGBDJSYSOXRUHZ-KRWDZBQOSA-N 0 3 302.466 2.769 40 0 DFABHN Cc1ccc(-c2ccccc2C[C@@H]2CNCCNC2=O)c(C)c1 ZINC000019132924 257231849 /nfs/dbraw/zinc/23/18/49/257231849.db2.gz RCSMHWAWLWJOCQ-QGZVFWFLSA-N 0 3 308.425 2.849 40 0 DFABHN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC1CCN(C)CC1 ZINC000222736697 542883543 /nfs/dbraw/zinc/88/35/43/542883543.db2.gz SLEDFLCNGZCMMK-CQSZACIVSA-N 0 3 316.445 2.543 40 0 DFABHN C[C@@H](CN(C)C)Sc1nnc(S[C@@H](C)CN(C)C)s1 ZINC000001586598 425582740 /nfs/dbraw/zinc/58/27/40/425582740.db2.gz IUGLVPPXKQVUQL-UWVGGRQHSA-N 0 3 320.553 2.623 40 0 DFABHN CCc1nc2sc3c(c2c(N2CCNCC2)n1)CC[C@H](C)C3 ZINC000004910566 425620614 /nfs/dbraw/zinc/62/06/14/425620614.db2.gz MLXJNPKWDSFKKF-NSHDSACASA-N 0 3 316.474 2.788 40 0 DFABHN CCc1cccc2c(C[N@@H+]3CCc4nc(C)[n-]c(=O)c4C3)c[nH]c21 ZINC000012185048 425721599 /nfs/dbraw/zinc/72/15/99/425721599.db2.gz BTFDGKOTKAFPOM-UHFFFAOYSA-N 0 3 322.412 2.680 40 0 DFABHN CCc1cccc2c(C[N@H+]3CCc4nc(C)[n-]c(=O)c4C3)c[nH]c21 ZINC000012185048 425721602 /nfs/dbraw/zinc/72/16/02/425721602.db2.gz BTFDGKOTKAFPOM-UHFFFAOYSA-N 0 3 322.412 2.680 40 0 DFABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012181082 425721899 /nfs/dbraw/zinc/72/18/99/425721899.db2.gz ANYNMCFADBCVBJ-KRWDZBQOSA-N 0 3 302.418 2.505 40 0 DFABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCCC[C@@H]3C)ccc21 ZINC000012181091 425722218 /nfs/dbraw/zinc/72/22/18/425722218.db2.gz FOLIBANCCVPVAU-KBXCAEBGSA-N 0 3 316.445 2.894 40 0 DFABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1cc(C)ccc1OC ZINC000012362913 425723188 /nfs/dbraw/zinc/72/31/88/425723188.db2.gz WZLOZPMERDWXAC-INIZCTEOSA-N 0 3 304.434 2.537 40 0 DFABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1 ZINC000019589200 425788996 /nfs/dbraw/zinc/78/89/96/425788996.db2.gz NXAFZUWMTIHSMT-BRWVUGGUSA-N 0 3 302.393 2.624 40 0 DFABHN O=C(CSC1=NCCN1)Nc1c(Cl)cccc1Cl ZINC000026441727 425811599 /nfs/dbraw/zinc/81/15/99/425811599.db2.gz SVJDUGQFYQNIOV-UHFFFAOYSA-N 0 3 304.202 2.624 40 0 DFABHN CN1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000034051917 425842509 /nfs/dbraw/zinc/84/25/09/425842509.db2.gz ZMQDYJQAFOBZEO-UHFFFAOYSA-N 0 3 300.446 2.810 40 0 DFABHN O=C1[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1ccccc1 ZINC000107742895 426002681 /nfs/dbraw/zinc/00/26/81/426002681.db2.gz LSJMUAGSARVWMQ-MAUKXSAKSA-N 0 3 310.372 2.921 40 0 DFABHN O=C(C[C@H]1[C@H]2CN(Cc3ccsc3)C[C@@H]12)NCc1ccco1 ZINC000107745944 426002702 /nfs/dbraw/zinc/00/27/02/426002702.db2.gz GPSUREYPTXCWOS-MUJYYYPQSA-N 0 3 316.426 2.725 40 0 DFABHN Cc1cccnc1CN1CCC2(CC(Nc3ncccn3)C2)C1 ZINC000108527624 426018108 /nfs/dbraw/zinc/01/81/08/426018108.db2.gz LPTMCJCMPKOYTK-UHFFFAOYSA-N 0 3 309.417 2.647 40 0 DFABHN COC(=O)CCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000078760752 426185181 /nfs/dbraw/zinc/18/51/81/426185181.db2.gz MBZJFASNBCUYAM-AWEZNQCLSA-N 0 3 305.374 2.548 40 0 DFABHN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(C)CC2)C12CCCCC2 ZINC000078829601 426188038 /nfs/dbraw/zinc/18/80/38/426188038.db2.gz QMMHDSZQZOTIBY-CVEARBPZSA-N 0 3 323.481 2.508 40 0 DFABHN Cc1nc(C)c(C(=O)N(CCN(C)C)Cc2cccs2)o1 ZINC000084251452 426235338 /nfs/dbraw/zinc/23/53/38/426235338.db2.gz AKXNJJWPWGHBMD-UHFFFAOYSA-N 0 3 307.419 2.557 40 0 DFABHN OCC1CCN(Cc2ccccc2NCc2cscn2)CC1 ZINC000086257925 426257044 /nfs/dbraw/zinc/25/70/44/426257044.db2.gz OEOSQFPIUCHQNQ-UHFFFAOYSA-N 0 3 317.458 2.960 40 0 DFABHN Cc1ccc(CN2CCC3(CC[C@H](C(=O)N(C)C)O3)CC2)s1 ZINC000096061132 426394047 /nfs/dbraw/zinc/39/40/47/426394047.db2.gz CYSLECOVOAQXDO-OAHLLOKOSA-N 0 3 322.474 2.658 40 0 DFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)s1 ZINC000096064050 426394094 /nfs/dbraw/zinc/39/40/94/426394094.db2.gz FNEDISCRORTPOD-CABCVRRESA-N 0 3 300.431 2.700 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@H]12 ZINC000096058426 426395465 /nfs/dbraw/zinc/39/54/65/426395465.db2.gz BCYPBELOXVVJNR-PKOBYXMFSA-N 0 3 310.397 2.768 40 0 DFABHN COC[C@H]1COCCC12CCN(Cc1cccc(OC)c1)CC2 ZINC000096106317 426397321 /nfs/dbraw/zinc/39/73/21/426397321.db2.gz OGWZNJNRLNWRDA-KRWDZBQOSA-N 0 3 319.445 2.960 40 0 DFABHN c1cnc(N2CCC3(CCN(Cc4cccnc4)CC3)CC2)nc1 ZINC000096158456 426402286 /nfs/dbraw/zinc/40/22/86/426402286.db2.gz XBAVACAMQZQGFB-UHFFFAOYSA-N 0 3 323.444 2.754 40 0 DFABHN c1ccc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096046956 426391286 /nfs/dbraw/zinc/39/12/86/426391286.db2.gz PJQSRHSHOYOXGL-HXUWFJFHSA-N 0 3 322.456 2.965 40 0 DFABHN CC[C@H]1N(Cc2cccc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096045691 426391431 /nfs/dbraw/zinc/39/14/31/426391431.db2.gz FRHOJAUVDHABCG-AEFFLSMTSA-N 0 3 302.418 2.718 40 0 DFABHN CCc1ccc(CN2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)o1 ZINC000096046200 426391632 /nfs/dbraw/zinc/39/16/32/426391632.db2.gz JYUYRPYBBKOYIS-APHBMKBZSA-N 0 3 316.405 2.621 40 0 DFABHN COc1ccc(CN2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 ZINC000096049965 426393143 /nfs/dbraw/zinc/39/31/43/426393143.db2.gz WTPXRQYRQQGLDA-SFHVURJKSA-N 0 3 302.418 2.672 40 0 DFABHN c1csc(CN2CCC3(CC2)COCCN3CC2CC2)c1 ZINC000096048912 426393199 /nfs/dbraw/zinc/39/31/99/426393199.db2.gz KCABFLVUTDZBGT-UHFFFAOYSA-N 0 3 306.475 2.825 40 0 DFABHN Cc1cccc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)n1 ZINC000096244718 426411006 /nfs/dbraw/zinc/41/10/06/426411006.db2.gz ORZWFJPENLBDCA-SFHVURJKSA-N 0 3 321.424 2.843 40 0 DFABHN COc1ccccc1CN1CCC2(CCN(C(C)=O)C2)CC1 ZINC000096268661 426412604 /nfs/dbraw/zinc/41/26/04/426412604.db2.gz TUXNSXNLAHSDDU-UHFFFAOYSA-N 0 3 302.418 2.530 40 0 DFABHN Cc1noc2ncnc(NC[C@@H](C)N3CCc4ccccc4C3)c12 ZINC000195508053 426529155 /nfs/dbraw/zinc/52/91/55/426529155.db2.gz MPKCYLVGUIVKRY-GFCCVEGCSA-N 0 3 323.400 2.785 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccccn3)C[C@@H]12 ZINC000248159009 426984125 /nfs/dbraw/zinc/98/41/25/426984125.db2.gz WSNXICDFMOEBDU-UXHICEINSA-N 0 3 307.441 2.929 40 0 DFABHN CCCn1nccc1CNCCc1ccc(OC)c(OC)c1 ZINC000256050075 427304448 /nfs/dbraw/zinc/30/44/48/427304448.db2.gz CNPBBELNOZNYJZ-UHFFFAOYSA-N 0 3 303.406 2.643 40 0 DFABHN Cn1nccc1CN1CCC[C@H](Cc2nccn3cccc23)CC1 ZINC000257208723 427311181 /nfs/dbraw/zinc/31/11/81/427311181.db2.gz BNKCSYRNWCZQIY-INIZCTEOSA-N 0 3 323.444 2.913 40 0 DFABHN Cc1ccnc([C@H]2CCN(CCOc3ccc(F)cc3)C2)n1 ZINC000257231090 427318928 /nfs/dbraw/zinc/31/89/28/427318928.db2.gz GFEQCIXGMHBSQQ-AWEZNQCLSA-N 0 3 301.365 2.792 40 0 DFABHN CC(C)N1CCC[C@@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257253932 427325898 /nfs/dbraw/zinc/32/58/98/427325898.db2.gz KAXIOBBFWHNEGM-CYBMUJFWSA-N 0 3 318.421 2.800 40 0 DFABHN CCN1CCN(Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000072393699 273663299 /nfs/dbraw/zinc/66/32/99/273663299.db2.gz JLUIJJYIEKMQGZ-UHFFFAOYSA-N 0 3 312.339 2.719 40 0 DFABHN COc1ccc2c(c1O)[C@]13C=C(OC)CC=C1[C@H](C2)N(C)CC3 ZINC000096316411 274140979 /nfs/dbraw/zinc/14/09/79/274140979.db2.gz UDBMORSDGOBDDA-HNAYVOBHSA-N 0 3 313.397 2.759 40 0 biogenic,in-vitro DFABHN CCO[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000195530586 276356923 /nfs/dbraw/zinc/35/69/23/276356923.db2.gz XHCIKJMJOQMBAX-JZXOWHBKSA-N 0 3 318.461 2.923 40 0 DFABHN CN1CCC(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000002803377 289887075 /nfs/dbraw/zinc/88/70/75/289887075.db2.gz XIUHQXAPMXMZHH-LBPRGKRZSA-N 0 3 319.449 2.650 40 0 DFABHN COc1cc(F)c(NC(=O)C2CCN(C3CC3)CC2)cc1F ZINC000192713709 323246562 /nfs/dbraw/zinc/24/65/62/323246562.db2.gz ZKEZRCDMVGACGV-UHFFFAOYSA-N 0 3 310.344 2.786 40 0 DFABHN Cc1ccccc1[C@H]1CN(C(=O)C[C@@H](N)c2ccccc2)CCO1 ZINC000195544222 323283971 /nfs/dbraw/zinc/28/39/71/323283971.db2.gz OHHMJDCKBIBCHD-RTBURBONSA-N 0 3 324.424 2.985 40 0 DFABHN C[C@H](C(=O)Nc1cccc(CCCO)c1)N1[C@H](C)CC[C@@H]1C ZINC000195571925 323284027 /nfs/dbraw/zinc/28/40/27/323284027.db2.gz YSRORPCKMBUCNV-QLFBSQMISA-N 0 3 304.434 2.811 40 0 DFABHN Oc1cc(Nc2ccncc2)ccc1I ZINC000685937878 546412401 /nfs/dbraw/zinc/41/24/01/546412401.db2.gz YHYXWKSOKJNVDT-UHFFFAOYSA-N 0 3 312.110 2.557 40 0 DFABHN O=C(NC[C@@H]1CCCCN1CCc1ccncc1)c1ccccc1 ZINC000078972895 185138063 /nfs/dbraw/zinc/13/80/63/185138063.db2.gz OOWMKAJCXDLFGV-IBGZPJMESA-N 0 3 323.440 2.909 40 0 DFABHN COC(=O)N1CC[C@@H](NCc2cnc(-c3cccs3)s2)C1 ZINC000083472663 192370412 /nfs/dbraw/zinc/37/04/12/192370412.db2.gz CCJDRKUXCDKBGB-SNVBAGLBSA-N 0 3 323.443 2.802 40 0 DFABHN O[C@]1(CN[C@@H]2CCCOc3cc4c(cc32)CCCC4)CCOC1 ZINC000090848491 398493626 /nfs/dbraw/zinc/49/36/26/398493626.db2.gz XWSHJFPEZGRVSU-MJGOQNOKSA-N 0 3 317.429 2.520 40 0 DFABHN C[C@H]1CN([C@@H](CN)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000036108394 398552273 /nfs/dbraw/zinc/55/22/73/398552273.db2.gz NOVVOAJSVRVRGX-MJVIPROJSA-N 0 3 313.239 2.558 40 0 DFABHN CC(=O)c1ccc(NC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000083843732 192386912 /nfs/dbraw/zinc/38/69/12/192386912.db2.gz YPRXFFKUTZWTDP-RDJZCZTQSA-N 0 3 315.417 2.837 40 0 DFABHN COC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCC1 ZINC000225625725 186284520 /nfs/dbraw/zinc/28/45/20/186284520.db2.gz KIWYAAOBOZNSTQ-UHFFFAOYSA-N 0 3 306.406 2.525 40 0 DFABHN c1cn(-c2cncc([C@@H]3CCCN3Cc3ccccc3)n2)cn1 ZINC000072378661 191140459 /nfs/dbraw/zinc/14/04/59/191140459.db2.gz ZEGLJCCEEDLBKU-KRWDZBQOSA-N 0 3 305.385 2.999 40 0 DFABHN Fc1ccc(-c2cc(CN3CCCCC3)c3nnnn3c2)cc1 ZINC000072392328 191147160 /nfs/dbraw/zinc/14/71/60/191147160.db2.gz UDLUEDWRGHXHFX-UHFFFAOYSA-N 0 3 311.364 2.916 40 0 DFABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000072392523 191149880 /nfs/dbraw/zinc/14/98/80/191149880.db2.gz HXDLAFXDAJEULD-WDYCEAGBSA-N 0 3 309.413 2.515 40 0 DFABHN CC(=O)c1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 ZINC000004192315 181083744 /nfs/dbraw/zinc/08/37/44/181083744.db2.gz ODPNZLMTXRXZDB-CPUCHLNUSA-N 0 3 305.418 2.892 40 0 DFABHN O=C(c1cccc(F)c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004306801 181094913 /nfs/dbraw/zinc/09/49/13/181094913.db2.gz KGOWKMTYMXZBNS-VBQJREDUSA-N 0 3 302.393 2.772 40 0 DFABHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1cccc(O)c1)CC2 ZINC000194946539 201315511 /nfs/dbraw/zinc/31/55/11/201315511.db2.gz GVQZKOOIXIDZHM-GXTWGEPZSA-N 0 3 300.406 2.773 40 0 DFABHN Cc1ccc(-c2noc(CN(C)[C@@H]3CCN(C)[C@H](C)C3)n2)cc1 ZINC000078876512 398994167 /nfs/dbraw/zinc/99/41/67/398994167.db2.gz QUCUDNIHELQPTG-GDBMZVCRSA-N 0 3 314.433 2.960 40 0 DFABHN Cc1ccc(CNCCC(=O)NCc2cccnc2)cc1Cl ZINC000195439634 201388977 /nfs/dbraw/zinc/38/89/77/201388977.db2.gz DRFQDTOOOFTIKR-UHFFFAOYSA-N 0 3 317.820 2.840 40 0 DFABHN O=C(C[C@H]1CNCCO1)Nc1cccc(Oc2ccccc2)c1 ZINC000195531125 201399857 /nfs/dbraw/zinc/39/98/57/201399857.db2.gz RVWLPZITQOPOQI-KRWDZBQOSA-N 0 3 312.369 2.796 40 0 DFABHN C[C@@H]1C[C@@H](N[C@@H]2c3ccccc3C[C@@H]2O)CN1Cc1ccccc1 ZINC000079100125 399015815 /nfs/dbraw/zinc/01/58/15/399015815.db2.gz XHIMZBOSXRMGNQ-DPDLHNOKSA-N 0 3 322.452 2.897 40 0 DFABHN Cc1cc(NC2CC3(C2)CCN(Cc2cccnc2)C3)ncn1 ZINC000257273347 203000939 /nfs/dbraw/zinc/00/09/39/203000939.db2.gz NGEFNJREXQHBPW-UHFFFAOYSA-N 0 3 309.417 2.647 40 0 DFABHN CCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2O ZINC000257298830 203022970 /nfs/dbraw/zinc/02/29/70/203022970.db2.gz RNKYUELJIHXQQZ-QGZVFWFLSA-N 0 3 305.418 2.591 40 0 DFABHN COc1ncc(CN2CCC[C@H]2CCc2ccnc(C)c2)cn1 ZINC000257318926 203042889 /nfs/dbraw/zinc/04/28/89/203042889.db2.gz VPZKFHFBTLJXJO-KRWDZBQOSA-N 0 3 312.417 2.786 40 0 DFABHN CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@@H]2CCCc3cccc1c32 ZINC000195549923 399184054 /nfs/dbraw/zinc/18/40/54/399184054.db2.gz FMZFWXOWLBQHGL-NOLJZWGESA-N 0 3 307.459 2.964 40 0 DFABHN Cc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000019117964 182105087 /nfs/dbraw/zinc/10/50/87/182105087.db2.gz HZDCHEORCNAKPI-CQSZACIVSA-N 0 3 301.365 2.597 40 0 DFABHN c1ccc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)nc1 ZINC000019403285 182121417 /nfs/dbraw/zinc/12/14/17/182121417.db2.gz OZTWNVODVAEYHC-OAHLLOKOSA-N 0 3 321.384 2.906 40 0 DFABHN CCOc1cc2c(cc1CN(C)CCN1CCCCC1)OCO2 ZINC000019532380 182129673 /nfs/dbraw/zinc/12/96/73/182129673.db2.gz SGNUTOFDKFGZCF-UHFFFAOYSA-N 0 3 320.433 2.732 40 0 DFABHN COc1ccccc1CN1C[C@@H]2CC[C@@](O)(c3ccccn3)[C@@H]2C1 ZINC000019570721 182131529 /nfs/dbraw/zinc/13/15/29/182131529.db2.gz ZGDHTWCXZSZURT-VPWXQRGCSA-N 0 3 324.424 2.820 40 0 DFABHN C[C@@H](NC1(CNC(=O)[C@@H]2C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000110591352 194340194 /nfs/dbraw/zinc/34/01/94/194340194.db2.gz SYOBOMBPOZRWFH-ZMSDIMECSA-N 0 3 316.445 2.659 40 0 DFABHN O=C(c1ccncc1)N1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC000063528491 184284925 /nfs/dbraw/zinc/28/49/25/184284925.db2.gz BBBWTEUJXRQTHO-HXUWFJFHSA-N 0 3 321.424 2.962 40 0 DFABHN COCCN1CCC2(CCn3c(-c4ccccc4)cnc32)CC1 ZINC000063528255 184285132 /nfs/dbraw/zinc/28/51/32/184285132.db2.gz FLWSSRTZTBDQFR-UHFFFAOYSA-N 0 3 311.429 2.934 40 0 DFABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NC1CCCCC1 ZINC000008300480 542418094 /nfs/dbraw/zinc/41/80/94/542418094.db2.gz OKDVBPWJMVNNOY-OFQRWUPVSA-N 0 3 309.523 2.904 40 0 biogenic,in-vitro DFABHN COC(=O)c1cccc(CNCc2ccccc2-n2ccnc2)c1 ZINC000083897360 542504262 /nfs/dbraw/zinc/50/42/62/542504262.db2.gz SYYOAPXJTHGDIV-UHFFFAOYSA-N 0 3 321.380 2.949 40 0 DFABHN Nc1cc(CCCNCc2ccccn2)nn1-c1ccccc1 ZINC000084569537 542512238 /nfs/dbraw/zinc/51/22/38/542512238.db2.gz SCQFAXQDCHFBRG-UHFFFAOYSA-N 0 3 307.401 2.572 40 0 DFABHN O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(-n2ccnc2)cc1 ZINC000085333870 542516214 /nfs/dbraw/zinc/51/62/14/542516214.db2.gz DTVIGIGNFDKWOK-MOPGFXCFSA-N 0 3 305.381 2.620 40 0 DFABHN CC(C)(C)OC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000067801243 425913292 /nfs/dbraw/zinc/91/32/92/425913292.db2.gz WPYJQFUFNVTFEV-UHFFFAOYSA-N 0 3 305.422 2.818 40 0 DFABHN C[C@@H]1CCCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000000485444 425564861 /nfs/dbraw/zinc/56/48/61/425564861.db2.gz BKZZOCHFQOSGEN-CQSZACIVSA-N 0 3 311.429 2.785 40 0 DFABHN CC(C)[C@@](O)(C(=O)OCC1=CN2CCC1CC2)c1ccccc1 ZINC000001558450 425583703 /nfs/dbraw/zinc/58/37/03/425583703.db2.gz HUXWLUVULBAHNX-IBGZPJMESA-N 0 3 315.413 2.683 40 0 DFABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1 ZINC000008254536 425663820 /nfs/dbraw/zinc/66/38/20/425663820.db2.gz LERYVKUZBIRWNG-QILLFSRXSA-N 0 3 315.461 2.603 40 0 biogenic,in-vitro DFABHN CC(C)c1cc(C(=O)NC(C)(C)CN2CCCC[C@@H]2C)n(C)n1 ZINC000012203207 425722082 /nfs/dbraw/zinc/72/20/82/425722082.db2.gz AZKJIERVECKSEA-AWEZNQCLSA-N 0 3 320.481 2.926 40 0 DFABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1cc(C)ccc1OC ZINC000012363014 425723740 /nfs/dbraw/zinc/72/37/40/425723740.db2.gz APOLQFCNEAYEMX-QGZVFWFLSA-N 0 3 318.461 2.927 40 0 DFABHN CCOC(=O)c1ccc(-c2ccc(CNCCN(C)C)o2)cc1 ZINC000022076238 425796987 /nfs/dbraw/zinc/79/69/87/425796987.db2.gz AYIKGBPFIYOESY-UHFFFAOYSA-N 0 3 316.401 2.775 40 0 DFABHN O=c1nc(CNC2CCCC2)[nH]c2sc3c(c21)CCCC3 ZINC000013999121 425763538 /nfs/dbraw/zinc/76/35/38/425763538.db2.gz XWADBQFODHRLAT-UHFFFAOYSA-N 0 3 303.431 2.896 40 0 DFABHN CCCc1nc2sc3c(c2c(N2CCNCC2)n1)CCCC3 ZINC000013998066 425764816 /nfs/dbraw/zinc/76/48/16/425764816.db2.gz BQFCCFUEFFUSMQ-UHFFFAOYSA-N 0 3 316.474 2.932 40 0 DFABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)s1 ZINC000107228802 425986317 /nfs/dbraw/zinc/98/63/17/425986317.db2.gz MQCPIEIVMHQYSZ-GDBMZVCRSA-N 0 3 318.446 2.644 40 0 DFABHN COc1ccc(CN2C[C@@H]3C(=O)N(c4ccccc4)C[C@@H]3C2)cc1 ZINC000107742905 426001928 /nfs/dbraw/zinc/00/19/28/426001928.db2.gz IXHQRAKIVMRCTJ-LPHOPBHVSA-N 0 3 322.408 2.790 40 0 DFABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)s1 ZINC000107745904 426002317 /nfs/dbraw/zinc/00/23/17/426002317.db2.gz GWYZMTJHEHFVHZ-MUJYYYPQSA-N 0 3 304.459 2.747 40 0 DFABHN O=C(C[C@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)Nc1cccnc1 ZINC000107745989 426002478 /nfs/dbraw/zinc/00/24/78/426002478.db2.gz CSUDNNOXOIROFW-MUJYYYPQSA-N 0 3 313.426 2.850 40 0 DFABHN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC1CCN(C)CC1 ZINC000113970954 426125374 /nfs/dbraw/zinc/12/53/74/426125374.db2.gz KRVXYRPMBLBTPD-KRWDZBQOSA-N 0 3 304.434 2.671 40 0 DFABHN OCCCCCCNc1ccccc1CN1CCC(CO)CC1 ZINC000084504665 426238161 /nfs/dbraw/zinc/23/81/61/426238161.db2.gz DVZYFCNABJGSOI-UHFFFAOYSA-N 0 3 320.477 2.856 40 0 DFABHN C[C@@H](c1ccccc1F)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000084660627 426242804 /nfs/dbraw/zinc/24/28/04/426242804.db2.gz XIIUMJVFILEFTG-RYUDHWBXSA-N 0 3 316.380 2.588 40 0 DFABHN CC(=O)Nc1cccc(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC000084796874 426245419 /nfs/dbraw/zinc/24/54/19/426245419.db2.gz BZDBYTFEQOTGFT-KRWDZBQOSA-N 0 3 311.385 2.693 40 0 DFABHN Cc1nc(C)c(CNC2(C(=O)NCC3CC3)CCCC2)s1 ZINC000085936496 426255811 /nfs/dbraw/zinc/25/58/11/426255811.db2.gz AKHINBFPXKWXCI-UHFFFAOYSA-N 0 3 307.463 2.689 40 0 DFABHN CN1C(=O)C2(CCN(Cc3cccnc3)CC2)[C@@H]1c1ccccc1 ZINC000096100253 426397812 /nfs/dbraw/zinc/39/78/12/426397812.db2.gz YXAMADNAAIGTLX-SFHVURJKSA-N 0 3 321.424 2.877 40 0 DFABHN Cc1ccc([C@H](N)c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095534118 426374265 /nfs/dbraw/zinc/37/42/65/426374265.db2.gz AAHQRBGLECGQQH-INIZCTEOSA-N 0 3 312.348 2.879 40 0 DFABHN N[C@H](c1n[nH]c(-c2ccc(O)cc2)n1)c1ccc(Cl)cc1 ZINC000095533959 426374287 /nfs/dbraw/zinc/37/42/87/426374287.db2.gz MNBDCIXZFMWQNI-ZDUSSCGKSA-N 0 3 300.749 2.879 40 0 DFABHN Cc1cnc2n1CCN(C)C21CCN(Cc2ccsc2)CC1 ZINC000096036995 426389199 /nfs/dbraw/zinc/38/91/99/426389199.db2.gz NZZUOOSYFPRLKJ-UHFFFAOYSA-N 0 3 316.474 2.690 40 0 DFABHN CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2 ZINC000096038494 426389458 /nfs/dbraw/zinc/38/94/58/426389458.db2.gz QOQPWKXCXCRHQI-WMZOPIPTSA-N 0 3 302.418 2.718 40 0 DFABHN CC[C@@H]1N(Cc2ccccc2OC)CCC[C@]12CCC(=O)N2 ZINC000096038502 426389545 /nfs/dbraw/zinc/38/95/45/426389545.db2.gz BKRHVYHPKFQHEH-WMZOPIPTSA-N 0 3 302.418 2.718 40 0 DFABHN O=C1[C@H]2CN(Cc3cccs3)C[C@H]2CN1c1ccsc1 ZINC000096053679 426392332 /nfs/dbraw/zinc/39/23/32/426392332.db2.gz HSIKGYAYZLBBNR-FZMZJTMJSA-N 0 3 304.440 2.904 40 0 DFABHN CN(Cc1ccco1)[C@@H]1CCC12CCN(c1ncccn1)CC2 ZINC000096051572 426392468 /nfs/dbraw/zinc/39/24/68/426392468.db2.gz ZOOCINHQCKKADZ-MRXNPFEDSA-N 0 3 312.417 2.951 40 0 DFABHN Fc1cccc(N2CCC[C@]3(CN(CC4CC4)CCO3)C2)c1 ZINC000096049091 426393170 /nfs/dbraw/zinc/39/31/70/426393170.db2.gz BCPGIXZXSWIMHS-SFHVURJKSA-N 0 3 304.409 2.907 40 0 DFABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053709 426393557 /nfs/dbraw/zinc/39/35/57/426393557.db2.gz HNOPCBBYDZRBMR-RDJZCZTQSA-N 0 3 314.360 2.509 40 0 DFABHN Cc1cnc(N2CC[C@@]3(CCCN3Cc3cccc(C)n3)C2)nc1 ZINC000096203076 426408516 /nfs/dbraw/zinc/40/85/16/426408516.db2.gz NQXYRTBINYAEET-IBGZPJMESA-N 0 3 323.444 2.733 40 0 DFABHN CN(C)C[C@@H]1CCC[C@]2(CCN(C(=O)CC3=CCCCC3)C2)O1 ZINC000096218997 426409451 /nfs/dbraw/zinc/40/94/51/426409451.db2.gz CGRIHUGPSGVTCG-PKOBYXMFSA-N 0 3 320.477 2.979 40 0 DFABHN c1csc(CN2CC[C@@H]3CN(Cc4cccnc4)CC[C@@H]32)n1 ZINC000096249230 426410903 /nfs/dbraw/zinc/41/09/03/426410903.db2.gz BAPCCJNRVAAEOP-CVEARBPZSA-N 0 3 314.458 2.635 40 0 DFABHN Cc1nc(N2CCCC2)nc2c1CCN(Cc1ccco1)CC2 ZINC000096254689 426410962 /nfs/dbraw/zinc/41/09/62/426410962.db2.gz GQJYCYRNBQQZOB-UHFFFAOYSA-N 0 3 312.417 2.579 40 0 DFABHN COCc1nc2n(n1)CCC[C@@H]2NC[C@@H](C)c1ccc(F)cc1 ZINC000195573394 426538177 /nfs/dbraw/zinc/53/81/77/426538177.db2.gz VXXOWXKJPSQPMT-DOMZBBRYSA-N 0 3 318.396 2.792 40 0 DFABHN O=C1[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2CN1c1ccccc1 ZINC000247713668 426960061 /nfs/dbraw/zinc/96/00/61/426960061.db2.gz LSJMUAGSARVWMQ-CRAIPNDOSA-N 0 3 310.372 2.921 40 0 DFABHN CNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C)n1 ZINC000329022995 427028960 /nfs/dbraw/zinc/02/89/60/427028960.db2.gz OPYFHUROSUBCII-UHFFFAOYSA-N 0 3 312.417 2.617 40 0 DFABHN Cc1cc(CN2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257207242 427310418 /nfs/dbraw/zinc/31/04/18/427310418.db2.gz BGZHPGIDMBUCCH-CQSZACIVSA-N 0 3 300.406 2.742 40 0 DFABHN Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cccn2C)n1 ZINC000257231205 427318208 /nfs/dbraw/zinc/31/82/08/427318208.db2.gz GFTYUMINHLFBQQ-QGZVFWFLSA-N 0 3 313.449 2.522 40 0 DFABHN Cn1cncc1CN1CCC[C@H](Cc2nccn3cccc23)CC1 ZINC000257236850 427321218 /nfs/dbraw/zinc/32/12/18/427321218.db2.gz HEAQEVAYVKZSLZ-INIZCTEOSA-N 0 3 323.444 2.913 40 0 DFABHN c1cc(C[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000257254750 427323919 /nfs/dbraw/zinc/32/39/19/427323919.db2.gz KEMWNVQIMCPBPU-CQSZACIVSA-N 0 3 313.401 2.636 40 0 DFABHN C[C@H]1CN(CCN2CCC[C@@H]2Cc2cccc(F)c2)CCO1 ZINC000191464040 427357467 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QDWDTWURSBRCJV-IYBDPMFKSA-N 0 3 308.466 2.883 40 0 DFABHN CN1CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096071408 426396115 /nfs/dbraw/zinc/39/61/15/426396115.db2.gz DUUFXENGUSKNDI-IBGZPJMESA-N 0 3 309.413 2.935 40 0 DFABHN CCN1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096080417 426396494 /nfs/dbraw/zinc/39/64/94/426396494.db2.gz DERQHQXROMUCQP-IBGZPJMESA-N 0 3 309.413 2.946 40 0 DFABHN CC[C@H]1N(CCOCc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC000096100126 426397671 /nfs/dbraw/zinc/39/76/71/426397671.db2.gz FWRJGTSJMSOAAN-MJGOQNOKSA-N 0 3 316.445 2.726 40 0 DFABHN COc1ccc2nc(CO[C@H]3CN(C4CCC4)C[C@H]3F)[nH]c2c1 ZINC000096112263 426398878 /nfs/dbraw/zinc/39/88/78/426398878.db2.gz UDSADANIWNCSQW-CJNGLKHVSA-N 0 3 319.380 2.663 40 0 biogenic,in-vitro DFABHN c1cc(CN2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cs1 ZINC000096108818 426399591 /nfs/dbraw/zinc/39/95/91/426399591.db2.gz SFVXBYZNMLRCTO-WBVHZDCISA-N 0 3 316.426 2.671 40 0 DFABHN N[C@@H](c1n[nH]c(-c2ccc(O)cc2)n1)c1ccc(Cl)cc1 ZINC000095533958 426374168 /nfs/dbraw/zinc/37/41/68/426374168.db2.gz MNBDCIXZFMWQNI-CYBMUJFWSA-N 0 3 300.749 2.879 40 0 DFABHN Cc1ccc(CN2CCc3ccc(=O)n(CC4CC4)c3CC2)o1 ZINC000096196688 426406278 /nfs/dbraw/zinc/40/62/78/426406278.db2.gz KBARCQCVNKLRQJ-UHFFFAOYSA-N 0 3 312.413 2.761 40 0 DFABHN C[C@@H]1CN(Cc2ccoc2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201739 426406375 /nfs/dbraw/zinc/40/63/75/426406375.db2.gz WMMJILXHOQQNII-RDTXWAMCSA-N 0 3 311.385 2.550 40 0 DFABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1c(C)noc1C)C2 ZINC000096039330 426389424 /nfs/dbraw/zinc/38/94/24/426389424.db2.gz YRXNVQADONDFKO-SJORKVTESA-N 0 3 308.422 2.699 40 0 DFABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccccc1OC)C2 ZINC000096039137 426389656 /nfs/dbraw/zinc/38/96/56/426389656.db2.gz KVTRGWAYQHOSKL-QZTJIDSGSA-N 0 3 305.418 2.713 40 0 DFABHN Fc1cccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)c1 ZINC000096053858 426392949 /nfs/dbraw/zinc/39/29/49/426392949.db2.gz KJYZSHXHWVKISW-GASCZTMLSA-N 0 3 317.433 2.846 40 0 DFABHN Cc1ccc(CN2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 ZINC000096219670 426408973 /nfs/dbraw/zinc/40/89/73/426408973.db2.gz SLTHEGUMKPSSKK-HOCLYGCPSA-N 0 3 303.431 2.859 40 0 DFABHN c1cc(CN2CCc3ncnc(-c4ccncc4)c3CC2)co1 ZINC000096255227 426411557 /nfs/dbraw/zinc/41/15/57/426411557.db2.gz IHGLXJDODDVYJP-UHFFFAOYSA-N 0 3 306.369 2.732 40 0 DFABHN CC[C@H](NC(=O)CNC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000195543162 426538719 /nfs/dbraw/zinc/53/87/19/426538719.db2.gz PVDHNIGGTGRMNV-GJZGRUSLSA-N 0 3 310.825 2.676 40 0 DFABHN Cc1nc(CN2CC[C@@H]3[C@H](CC2)OCCN3CC2CC2)cs1 ZINC000247942077 426968880 /nfs/dbraw/zinc/96/88/80/426968880.db2.gz HAPMRTRXUGUEQB-SJORKVTESA-N 0 3 321.490 2.527 40 0 DFABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C[C@@H]12 ZINC000248132601 426980870 /nfs/dbraw/zinc/98/08/70/426980870.db2.gz NOKAQFBQZOHOFQ-UXHICEINSA-N 0 3 307.441 2.929 40 0 DFABHN COC[C@@H]1CCN(C)C2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC000248121839 426981325 /nfs/dbraw/zinc/98/13/25/426981325.db2.gz KLIRODOINUSJPX-OAHLLOKOSA-N 0 3 313.445 2.711 40 0 DFABHN COCCN1CCC[C@H](c2cc(-c3nccs3)nc(C)n2)C1 ZINC000257242103 427322316 /nfs/dbraw/zinc/32/23/16/427322316.db2.gz IBDBTIMUCWAKIR-ZDUSSCGKSA-N 0 3 318.446 2.734 40 0 DFABHN CC1CCN(C(=O)c2cc([C@@H]3CCCN(C)C3)ccn2)CC1 ZINC000072387016 276194573 /nfs/dbraw/zinc/19/45/73/276194573.db2.gz GJZVBACVMIRXGU-MRXNPFEDSA-N 0 3 301.434 2.763 40 0 DFABHN COC[C@H]1CCn2cncc2CN1Cc1cccc2[nH]ccc21 ZINC000585096955 430478332 /nfs/dbraw/zinc/47/83/32/430478332.db2.gz FYACPFNCJGXJMF-OAHLLOKOSA-N 0 3 310.401 2.785 40 0 DFABHN CCN(CC)Cc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O ZINC000005372869 279136520 /nfs/dbraw/zinc/13/65/20/279136520.db2.gz HDOKWGNPIKVSEX-UHFFFAOYSA-N 0 3 301.390 2.637 40 0 DFABHN C[C@H](CNC(=O)N(C)Cc1ccco1)N(C)Cc1ccccc1 ZINC000078925988 279328114 /nfs/dbraw/zinc/32/81/14/279328114.db2.gz FNMPEFSKTIAELG-OAHLLOKOSA-N 0 3 315.417 2.942 40 0 DFABHN CCN1CCOC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000096049594 279380758 /nfs/dbraw/zinc/38/07/58/279380758.db2.gz DNMPCECJMZWQMP-SFHVURJKSA-N 0 3 306.425 2.760 40 0 DFABHN Cc1cc(C)n([C@@H](C)CC(=O)NC[C@@H](C)N2CCC(C)CC2)n1 ZINC000019573062 301247513 /nfs/dbraw/zinc/24/75/13/301247513.db2.gz MMZFLIRCMSJTHH-DLBZAZTESA-N 0 3 320.481 2.688 40 0 DFABHN Cc1ccccc1[C@H]1CN(C(=O)C[C@H](N)c2ccccc2)CCO1 ZINC000195544224 323283990 /nfs/dbraw/zinc/28/39/90/323283990.db2.gz OHHMJDCKBIBCHD-RBUKOAKNSA-N 0 3 324.424 2.985 40 0 DFABHN Cc1nnc([C@@H](C)NCC2(N3CCSCC3)CCCCC2)o1 ZINC000079030939 185147475 /nfs/dbraw/zinc/14/74/75/185147475.db2.gz KWPMTIGQGJAUCK-CYBMUJFWSA-N 0 3 324.494 2.780 40 0 DFABHN O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccnc3ccccc23)N1 ZINC000019713321 398408914 /nfs/dbraw/zinc/40/89/14/398408914.db2.gz BVSFRXZVQUAMTA-ZWKOTPCHSA-N 0 3 309.413 2.868 40 0 DFABHN Cc1nc(C(=O)N2CCC[C@@]3(CCN3CC(C)C)C2)cs1 ZINC000585101843 398432384 /nfs/dbraw/zinc/43/23/84/398432384.db2.gz ITPWSAQKDAKZRU-MRXNPFEDSA-N 0 3 307.463 2.788 40 0 DFABHN C(O[C@H]1CSC2(CN(CC3CCC3)C2)C1)C1CCOCC1 ZINC000585105478 398433425 /nfs/dbraw/zinc/43/34/25/398433425.db2.gz XJSPUNLZOZAUEL-MRXNPFEDSA-N 0 3 311.491 2.790 40 0 DFABHN OCCN1CCC(c2nccnc2Oc2ccccc2F)CC1 ZINC000072361621 191131597 /nfs/dbraw/zinc/13/15/97/191131597.db2.gz MERVHPZCJOKVKV-UHFFFAOYSA-N 0 3 317.364 2.580 40 0 DFABHN CN1CCC[C@H](c2cccc(NCCC3(O)CCCC3)n2)C1 ZINC000072365542 191134085 /nfs/dbraw/zinc/13/40/85/191134085.db2.gz MBDSYTNGENJRGA-HNNXBMFYSA-N 0 3 303.450 2.998 40 0 DFABHN CNc1ccc(C[C@@H]2CCCN(Cc3scnc3C)C2)nn1 ZINC000072366109 191136035 /nfs/dbraw/zinc/13/60/35/191136035.db2.gz KXSMROJQIMVWRZ-ZDUSSCGKSA-N 0 3 317.462 2.738 40 0 DFABHN c1cncc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389981 191147115 /nfs/dbraw/zinc/14/71/15/191147115.db2.gz XJHXIPJHJJFOMY-INIZCTEOSA-N 0 3 321.384 2.906 40 0 DFABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC000072392518 191149514 /nfs/dbraw/zinc/14/95/14/191149514.db2.gz HXLFWTKTKKJVNF-SCTDSRPQSA-N 0 3 309.413 2.515 40 0 DFABHN COc1ccccc1CN1CCC(c2[nH]nc3nccnc32)CC1 ZINC000072393756 191149596 /nfs/dbraw/zinc/14/95/96/191149596.db2.gz HGEHVQOGSMMKJY-UHFFFAOYSA-N 0 3 323.400 2.741 40 0 DFABHN O=C1NCCCC12CCN(Cc1cccc3cccnc31)CC2 ZINC000072393746 191149754 /nfs/dbraw/zinc/14/97/54/191149754.db2.gz JQUVBDJOPAWGPJ-UHFFFAOYSA-N 0 3 309.413 2.727 40 0 DFABHN Fc1cccc(CN2CCC[C@@H](c3[nH]nc4nccnc43)C2)c1 ZINC000072393821 191149963 /nfs/dbraw/zinc/14/99/63/191149963.db2.gz ZYKBNZHVIOHFOH-CYBMUJFWSA-N 0 3 311.364 2.872 40 0 DFABHN c1cc2ccc(CN3CCOC[C@@H](Cc4cnccn4)C3)cc2[nH]1 ZINC000072388276 191146699 /nfs/dbraw/zinc/14/66/99/191146699.db2.gz OKKGYVXPMLWUIN-INIZCTEOSA-N 0 3 322.412 2.649 40 0 DFABHN CN1CCC(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000174438248 198334743 /nfs/dbraw/zinc/33/47/43/198334743.db2.gz HHOFRYSJOBDXNZ-UHFFFAOYSA-N 0 3 312.866 2.890 40 0 DFABHN NC(=O)[C@H]1CC[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 ZINC000113543591 398740201 /nfs/dbraw/zinc/74/02/01/398740201.db2.gz JESCETIFNOFKEU-DLBZAZTESA-N 0 3 314.360 2.683 40 0 DFABHN Nc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccn1 ZINC000193442021 201052111 /nfs/dbraw/zinc/05/21/11/201052111.db2.gz FHWIWCQCSCGSSS-DLBZAZTESA-N 0 3 315.392 2.891 40 0 DFABHN CCN(CC)c1ncc(CN[C@@H](C)[C@H](C)n2cccn2)s1 ZINC000078789729 398987740 /nfs/dbraw/zinc/98/77/40/398987740.db2.gz HNEVRDWNQGYAAJ-STQMWFEESA-N 0 3 307.467 2.925 40 0 DFABHN CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@H](C)C1 ZINC000078897217 398996039 /nfs/dbraw/zinc/99/60/39/398996039.db2.gz FFZSEKRMUXVZTA-RISCZKNCSA-N 0 3 307.463 2.757 40 0 DFABHN CC(C)(C)[C@@H]1OCCC[C@H]1CN[C@@H](C(N)=O)c1ccccc1 ZINC000195530446 201398383 /nfs/dbraw/zinc/39/83/83/201398383.db2.gz MVZPAGJWJORQOE-ARFHVFGLSA-N 0 3 304.434 2.644 40 0 DFABHN Cc1nn(C)c2nc([C@H]3CCCN(Cc4cccn4C)C3)ccc12 ZINC000257292368 203017784 /nfs/dbraw/zinc/01/77/84/203017784.db2.gz QLEPMWRAYLYQNV-HNNXBMFYSA-N 0 3 323.444 2.995 40 0 DFABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000257343599 203065096 /nfs/dbraw/zinc/06/50/96/203065096.db2.gz ZTQKXMXNFGIRGM-HNNXBMFYSA-N 0 3 301.438 2.950 40 0 DFABHN Cc1cccnc1C(=O)N1CCCC[C@@H]2N(C)CCC[C@@]21C ZINC000257342989 203065289 /nfs/dbraw/zinc/06/52/89/203065289.db2.gz ZQXQMPCXPHTPLF-YJBOKZPZSA-N 0 3 301.434 2.869 40 0 DFABHN C[C@H]1c2ccsc2CCN1CC(C)(C)CN1CCN(C)CC1 ZINC000019498345 182125678 /nfs/dbraw/zinc/12/56/78/182125678.db2.gz JSFNGVKTERVXQG-HNNXBMFYSA-N 0 3 321.534 2.941 40 0 DFABHN Cn1nccc1CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019658622 182135107 /nfs/dbraw/zinc/13/51/07/182135107.db2.gz MQSWVHJYVFVROP-CQSZACIVSA-N 0 3 309.417 2.751 40 0 DFABHN COc1ccc([C@@H](NC(=O)CC2CCN(C)CC2)C2CC2)cc1 ZINC000019748353 182142963 /nfs/dbraw/zinc/14/29/63/182142963.db2.gz AAVRVDXTTZDHGC-IBGZPJMESA-N 0 3 316.445 2.994 40 0 DFABHN Cc1cccc2cc(CNCCN3CCOCC3)c(Cl)nc12 ZINC000022930574 182342849 /nfs/dbraw/zinc/34/28/49/182342849.db2.gz XLGIHBJRPYCTLX-UHFFFAOYSA-N 0 3 319.836 2.618 40 0 DFABHN CN(C)C1(C(=O)N2CCC(COc3ccccc3)CC2)CCC1 ZINC000083847849 542504329 /nfs/dbraw/zinc/50/43/29/542504329.db2.gz RXWDGURNXYOWJJ-UHFFFAOYSA-N 0 3 316.445 2.788 40 0 DFABHN Cc1cnc(CN(C)[C@H]2CCN(CCc3cccs3)C2)o1 ZINC000084258899 542507501 /nfs/dbraw/zinc/50/75/01/542507501.db2.gz DEXUTLACHPSDBN-AWEZNQCLSA-N 0 3 305.447 2.793 40 0 DFABHN CC[C@](CO)(NCc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000085325072 542515881 /nfs/dbraw/zinc/51/58/81/542515881.db2.gz ATRIFICXLGXVIU-XMSQKQJNSA-N 0 3 317.454 2.811 40 0 DFABHN CCN1CCN(c2cc(C)c([C@H](N)c3ccccc3)cn2)CC1 ZINC000072223637 257123446 /nfs/dbraw/zinc/12/34/46/257123446.db2.gz TYJHXZSQYDFZBY-LJQANCHMSA-N 0 3 310.445 2.580 40 0 DFABHN COc1ccc2ccccc2c1[C@@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000033455598 257129470 /nfs/dbraw/zinc/12/94/70/257129470.db2.gz RHKIELOGOLFZBF-JKIFEVAISA-N 0 3 314.429 2.957 40 0 DFABHN COc1ccc2ccccc2c1[C@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000033455599 257129591 /nfs/dbraw/zinc/12/95/91/257129591.db2.gz RHKIELOGOLFZBF-VBQJREDUSA-N 0 3 314.429 2.957 40 0 DFABHN CCOc1cc([C@@H](N)c2nnc(C(C)(C)C)[nH]2)ccc1OC ZINC000095534449 257137399 /nfs/dbraw/zinc/13/73/99/257137399.db2.gz AIOMJHLKXGVGDD-CYBMUJFWSA-N 0 3 304.394 2.558 40 0 DFABHN CCOc1cc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)ccc1OC ZINC000095534449 257137400 /nfs/dbraw/zinc/13/74/00/257137400.db2.gz AIOMJHLKXGVGDD-CYBMUJFWSA-N 0 3 304.394 2.558 40 0 DFABHN COc1cc([C@@H]2CNCc3cc(OC)c(OC)cc32)ccc1O ZINC000003847190 286245892 /nfs/dbraw/zinc/24/58/92/286245892.db2.gz NEGANGKLGKFYLC-AWEZNQCLSA-N 0 3 315.369 2.653 40 0 DFABHN CC(C)(C)OC(=O)NC1CCN(Cc2ccc(O)cc2)CC1 ZINC000067801062 425913290 /nfs/dbraw/zinc/91/32/90/425913290.db2.gz SAAQYWKIIJWRQP-UHFFFAOYSA-N 0 3 306.406 2.881 40 0 DFABHN CCN(CC)CCOC(=O)c1cc([C@H](C)O)nc2ccccc21 ZINC000001720876 425587297 /nfs/dbraw/zinc/58/72/97/425587297.db2.gz ZQLWFNHPBVDHFR-ZDUSSCGKSA-N 0 3 316.401 2.787 40 0 DFABHN CCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540619 425646266 /nfs/dbraw/zinc/64/62/66/425646266.db2.gz KWACEDYMSOCDDG-UHFFFAOYSA-N 0 3 317.341 2.629 40 0 DFABHN N[C@@H]1CC(=O)c2c(Br)sc(Br)c21 ZINC000003593485 425617590 /nfs/dbraw/zinc/61/75/90/425617590.db2.gz ZBJKXPGYCUSNHR-UWTATZPHSA-N 0 3 310.998 2.859 40 0 DFABHN CCOc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 ZINC000009876536 425695172 /nfs/dbraw/zinc/69/51/72/425695172.db2.gz XHJMVFNLFDNTCH-ZDUSSCGKSA-N 0 3 307.463 2.714 40 0 DFABHN Cc1cc2occ(CC(=O)N[C@H]3CCCN(C)C3)c2cc1C ZINC000012195218 425721020 /nfs/dbraw/zinc/72/10/20/425721020.db2.gz GHALEWRWUCZBSC-HNNXBMFYSA-N 0 3 300.402 2.803 40 0 DFABHN C[C@@H]1C[C@H]1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 ZINC000012187163 425722044 /nfs/dbraw/zinc/72/20/44/425722044.db2.gz JMINFJSLOZKTMM-CRAIPNDOSA-N 0 3 312.457 2.955 40 0 DFABHN Cn1c2ccc(CNC3(c4ccccc4)CC3)cc2n(C)c1=O ZINC000012361878 425724169 /nfs/dbraw/zinc/72/41/69/425724169.db2.gz XGSJBLHIISUUOG-UHFFFAOYSA-N 0 3 307.397 2.656 40 0 DFABHN Clc1nc2cc3c(cc2cc1CNC[C@@H]1CCCO1)OCO3 ZINC000013534788 425755655 /nfs/dbraw/zinc/75/56/55/425755655.db2.gz GUFZXKFIOFJRKX-LBPRGKRZSA-N 0 3 320.776 2.886 40 0 DFABHN Clc1nc2cc3c(cc2cc1CNC[C@H]1CCCO1)OCO3 ZINC000013534792 425755835 /nfs/dbraw/zinc/75/58/35/425755835.db2.gz GUFZXKFIOFJRKX-GFCCVEGCSA-N 0 3 320.776 2.886 40 0 DFABHN Cc1cccc([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000035622904 425844494 /nfs/dbraw/zinc/84/44/94/425844494.db2.gz ITPUKCZTUMISDI-HOTGVXAUSA-N 0 3 319.449 2.594 40 0 DFABHN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC1CCN(C)CC1 ZINC000113951916 426123597 /nfs/dbraw/zinc/12/35/97/426123597.db2.gz FLIQYPJKWVQBIB-MRXNPFEDSA-N 0 3 304.434 2.671 40 0 DFABHN CCN1CCN([C@H](C)CNc2ncccc2C(F)(F)F)CC1 ZINC000084789269 426245498 /nfs/dbraw/zinc/24/54/98/426245498.db2.gz YIQCZXHLMFCIFA-GFCCVEGCSA-N 0 3 316.371 2.538 40 0 DFABHN c1ccc(CN2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096073771 426396237 /nfs/dbraw/zinc/39/62/37/426396237.db2.gz JOQCVIZHLOVKKU-PKOBYXMFSA-N 0 3 324.428 2.712 40 0 DFABHN Fc1ccc(N2CCC3(CC2)COCCN3CC2CC2)cc1 ZINC000096074634 426396972 /nfs/dbraw/zinc/39/69/72/426396972.db2.gz WQRADWWGPKKEFY-UHFFFAOYSA-N 0 3 304.409 2.907 40 0 DFABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096158629 426402389 /nfs/dbraw/zinc/40/23/89/426402389.db2.gz LCJZSPIXEHSZQL-OAHLLOKOSA-N 0 3 322.836 2.665 40 0 DFABHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccco4)C[C@@H]3C2=O)c1 ZINC000096053702 426393354 /nfs/dbraw/zinc/39/33/54/426393354.db2.gz LWUJIODMJLIVRC-WMZOPIPTSA-N 0 3 310.397 2.678 40 0 DFABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2CN1c1ccccc1 ZINC000096053589 426393766 /nfs/dbraw/zinc/39/37/66/426393766.db2.gz LSJMUAGSARVWMQ-QAPCUYQASA-N 0 3 310.372 2.921 40 0 DFABHN c1csc(CN2C[C@@H]3COC[C@]3(CNc3ccccn3)C2)c1 ZINC000096220753 426408747 /nfs/dbraw/zinc/40/87/47/426408747.db2.gz HMMZKUAHJQJDFG-PBHICJAKSA-N 0 3 315.442 2.704 40 0 DFABHN Cc1cccc(CN2CC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)n1 ZINC000096218953 426408997 /nfs/dbraw/zinc/40/89/97/426408997.db2.gz UJIULTFOMYEFJM-RBUKOAKNSA-N 0 3 324.428 2.631 40 0 DFABHN CC1(CCNCc2sccc2Br)OCCO1 ZINC000195564584 426538856 /nfs/dbraw/zinc/53/88/56/426538856.db2.gz HEMJUXBDYWAXPW-UHFFFAOYSA-N 0 3 306.225 2.753 40 0 DFABHN Cc1cccc([C@@H](NC(=O)C[C@@H]2CNCCO2)C(C)(C)C)c1 ZINC000195543638 426539092 /nfs/dbraw/zinc/53/90/92/426539092.db2.gz VQODBJPPTSFOAA-NVXWUHKLSA-N 0 3 304.434 2.577 40 0 DFABHN Cc1nc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)cs1 ZINC000247942075 426968099 /nfs/dbraw/zinc/96/80/99/426968099.db2.gz HAPMRTRXUGUEQB-IRXDYDNUSA-N 0 3 321.490 2.527 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000248085530 426980455 /nfs/dbraw/zinc/98/04/55/426980455.db2.gz BCYPBELOXVVJNR-IEBWSBKVSA-N 0 3 310.397 2.768 40 0 DFABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3cccnc3)C[C@@H]12 ZINC000248110848 426981870 /nfs/dbraw/zinc/98/18/70/426981870.db2.gz HFHZFOCWFVKYHD-WOJBJXKFSA-N 0 3 307.441 2.929 40 0 DFABHN CC(C)CN1C[C@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]21 ZINC000248242121 426988702 /nfs/dbraw/zinc/98/87/02/426988702.db2.gz OXPPVJLNVOEJFX-GOEBONIOSA-N 0 3 306.837 2.681 40 0 DFABHN Cc1nc(N[C@@H](C)CO)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329011398 427024552 /nfs/dbraw/zinc/02/45/52/427024552.db2.gz MDZVXQPKHYPWRG-QWHCGFSZSA-N 0 3 312.417 2.529 40 0 DFABHN CCn1cc(CN(C)[C@H]2CCCN(c3ccccn3)C2)c(C)n1 ZINC000257224059 427316882 /nfs/dbraw/zinc/31/68/82/427316882.db2.gz FADVPKGDTRRLJZ-KRWDZBQOSA-N 0 3 313.449 2.707 40 0 DFABHN Cn1cncc1CN1CCC[C@@H](Cc2nccn3cccc23)CC1 ZINC000257236851 427322066 /nfs/dbraw/zinc/32/20/66/427322066.db2.gz HEAQEVAYVKZSLZ-MRXNPFEDSA-N 0 3 323.444 2.913 40 0 DFABHN COc1ccc([C@@H]2CNCCN2Cc2scnc2C)cc1 ZINC000257241281 427322164 /nfs/dbraw/zinc/32/21/64/427322164.db2.gz HXKONYBKQFLQKL-HNNXBMFYSA-N 0 3 303.431 2.607 40 0 DFABHN c1cc2c(C[C@@H]3CCCN(Cc4c[nH]cn4)CC3)nccn2c1 ZINC000257249306 427324094 /nfs/dbraw/zinc/32/40/94/427324094.db2.gz JHPOCFVXQZLPCR-OAHLLOKOSA-N 0 3 309.417 2.902 40 0 DFABHN c1cc2c(C[C@@H]3CCCN(Cc4cnc[nH]4)CC3)nccn2c1 ZINC000257249306 427324099 /nfs/dbraw/zinc/32/40/99/427324099.db2.gz JHPOCFVXQZLPCR-OAHLLOKOSA-N 0 3 309.417 2.902 40 0 DFABHN CNc1nccnc1C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000257249583 427324483 /nfs/dbraw/zinc/32/44/83/427324483.db2.gz JIZGTJLXTLBVIH-LLVKDONJSA-N 0 3 302.344 2.725 40 0 DFABHN Cc1ccc(CN2CC3(C2)CO[C@H](Cc2cncnc2)C3)cc1 ZINC000257253297 427324865 /nfs/dbraw/zinc/32/48/65/427324865.db2.gz JYIMOXOHWXTSEK-GOSISDBHSA-N 0 3 309.413 2.619 40 0 DFABHN CN1CCC(Cc2ccccc2F)(C(=O)NCC2CCC2)CC1 ZINC000257260672 427329132 /nfs/dbraw/zinc/32/91/32/427329132.db2.gz LDWBEBFRWRPYCE-UHFFFAOYSA-N 0 3 318.436 2.997 40 0 DFABHN Oc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257298793 427333291 /nfs/dbraw/zinc/33/32/91/427333291.db2.gz RNHGNLMSYSGKRD-LJQANCHMSA-N 0 3 313.397 2.798 40 0 DFABHN CN(C)c1cc([C@@H]2CCCN(Cc3cncs3)C2)ccn1 ZINC000257284457 427333919 /nfs/dbraw/zinc/33/39/19/427333919.db2.gz PCTXBCQVIGYNMP-CQSZACIVSA-N 0 3 302.447 2.984 40 0 DFABHN c1cc(CN2CCc3ncnc(-c4ccncc4)c3CC2)ccn1 ZINC000096187632 275064306 /nfs/dbraw/zinc/06/43/06/275064306.db2.gz PISUABZUQJUQKV-UHFFFAOYSA-N 0 3 317.396 2.534 40 0 DFABHN CCN(CC)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1 ZINC000003630877 276327504 /nfs/dbraw/zinc/32/75/04/276327504.db2.gz LMKPHJYTFHAGHK-KRWDZBQOSA-N 0 3 319.445 2.960 40 0 DFABHN CC[C@H](C)N1C[C@@]2(CCCN(Cc3cnc(C)s3)C2)C1=O ZINC000585099513 430478611 /nfs/dbraw/zinc/47/86/11/430478611.db2.gz PKQXHZJIFBAULM-LRDDRELGSA-N 0 3 307.463 2.674 40 0 DFABHN CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCC1 ZINC000306141892 278378021 /nfs/dbraw/zinc/37/80/21/278378021.db2.gz WJEQIWUSWUREKS-UHFFFAOYSA-N 0 3 320.437 2.666 40 0 DFABHN COc1ccccc1OCCN1CCC(c2ccnn2C)CC1 ZINC000195504101 323283279 /nfs/dbraw/zinc/28/32/79/323283279.db2.gz YTCPRQAHEOQCEU-UHFFFAOYSA-N 0 3 315.417 2.687 40 0 DFABHN Fc1ccc(F)c(CNC2CCN(c3ncccn3)CC2)c1 ZINC000078969296 526349924 /nfs/dbraw/zinc/34/99/24/526349924.db2.gz JMGWEWOWLZEIRR-UHFFFAOYSA-N 0 3 304.344 2.513 40 0 DFABHN